NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24806 | 2k4v | 15810 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 1 1H GLN 1 -14.240 11.946 -8.290 2 H2 GLN 1 2H GLN 1 -13.837 10.605 -7.340 3 H3 GLN 1 3H GLN 1 -14.762 10.407 -8.742 4 HA GLN 1 HA GLN 1 -12.958 11.082 -10.120 5 HB2 GLN 1 1HB GLN 1 -10.709 11.492 -9.157 6 HB3 GLN 1 2HB GLN 1 -11.895 12.675 -8.613 7 HG2 GLN 1 1HG GLN 1 -12.092 11.500 -6.463 8 HG3 GLN 1 2HG GLN 1 -10.920 10.296 -7.004 9 HE21 GLN 1 2HE2 GLN 1 -8.730 10.939 -7.253 10 HE22 GLN 1 1HE2 GLN 1 -8.114 12.346 -6.464 11 H GLY 2 H GLY 2 -13.833 8.719 -7.974 12 HA2 GLY 2 1HA GLY 2 -13.665 6.444 -8.047 13 HA3 GLY 2 2HA GLY 2 -12.695 6.589 -9.503 14 H HIS 3 H HIS 3 -10.428 6.891 -9.294 15 HA HIS 3 HA HIS 3 -9.196 5.800 -6.885 16 HB2 HIS 3 1HB HIS 3 -7.114 5.786 -8.159 17 HB3 HIS 3 2HB HIS 3 -8.391 5.091 -9.137 18 HD1 HIS 3 HD1 HIS 3 -5.902 7.812 -9.076 19 HD2 HIS 3 HD2 HIS 3 -9.201 6.746 -11.369 20 HE1 HIS 3 HE1 HIS 3 -5.754 9.212 -11.150 21 HE2 HIS 3 HE2 HIS 3 -7.803 8.615 -12.481 22 H MET 4 H MET 4 -7.827 6.931 -5.524 23 HA MET 4 HA MET 4 -7.294 9.781 -5.815 24 HB2 MET 4 1HB MET 4 -9.606 9.755 -4.843 25 HB3 MET 4 2HB MET 4 -9.051 8.722 -3.532 26 HG2 MET 4 1HG MET 4 -7.488 10.593 -2.843 27 HG3 MET 4 2HG MET 4 -8.278 11.607 -4.050 28 HE1 MET 4 3HE MET 4 -10.363 9.934 -0.271 29 HE2 MET 4 1HE MET 4 -8.648 9.714 -0.622 30 HE3 MET 4 2HE MET 4 -9.865 8.892 -1.601 31 H PHE 5 H PHE 5 -5.487 10.376 -4.542 32 HA PHE 5 HA PHE 5 -4.498 8.356 -2.605 33 HB2 PHE 5 1HB PHE 5 -3.047 8.266 -4.590 34 HB3 PHE 5 2HB PHE 5 -2.790 10.006 -4.520 35 HD1 PHE 5 HD1 PHE 5 -2.262 6.863 -2.553 36 HD2 PHE 5 HD2 PHE 5 -0.972 10.885 -3.233 37 HE1 PHE 5 HE1 PHE 5 -0.360 6.523 -1.034 38 HE2 PHE 5 HE2 PHE 5 0.928 10.524 -1.720 39 HZ PHE 5 HZ PHE 5 1.237 8.348 -0.624 40 H GLU 6 H GLU 6 -3.675 9.082 -0.737 41 HA GLU 6 HA GLU 6 -3.256 11.919 -0.166 42 HB2 GLU 6 1HB GLU 6 -4.600 11.744 1.948 43 HB3 GLU 6 2HB GLU 6 -5.598 11.543 0.511 44 HG2 GLU 6 1HG GLU 6 -5.469 9.057 0.838 45 HG3 GLU 6 2HG GLU 6 -4.606 9.338 2.344 46 HA PRO 7 HA PRO 7 0.295 10.112 1.912 47 HB2 PRO 7 1HB PRO 7 0.755 11.857 4.011 48 HB3 PRO 7 2HB PRO 7 1.175 12.209 2.329 49 HG2 PRO 7 1HG PRO 7 -1.226 13.101 3.913 50 HG3 PRO 7 2HG PRO 7 -0.229 14.028 2.770 51 HD2 PRO 7 1HD PRO 7 -2.654 12.988 2.079 52 HD3 PRO 7 2HD PRO 7 -1.329 13.151 0.907 53 H GLY 8 H GLY 8 -0.501 8.160 2.624 54 HA2 GLY 8 1HA GLY 8 -0.369 6.938 4.816 55 HA3 GLY 8 2HA GLY 8 -1.674 7.981 5.357 56 H HIS 9 H HIS 9 -2.612 7.568 2.302 57 HA HIS 9 HA HIS 9 -3.784 4.925 2.378 58 HB2 HIS 9 1HB HIS 9 -5.194 5.897 4.079 59 HB3 HIS 9 2HB HIS 9 -5.440 7.359 3.139 60 HD1 HIS 9 HD1 HIS 9 -7.432 7.415 1.622 61 HD2 HIS 9 HD2 HIS 9 -6.669 3.600 3.069 62 HE1 HIS 9 HE1 HIS 9 -9.362 6.027 0.875 63 HE2 HIS 9 HE2 HIS 9 -9.027 3.830 2.038 64 H LEU 10 H LEU 10 -5.018 4.397 0.485 65 HA LEU 10 HA LEU 10 -5.199 6.343 -1.700 66 HB2 LEU 10 1HB LEU 10 -3.151 4.673 -1.763 67 HB3 LEU 10 2HB LEU 10 -4.344 3.454 -2.152 68 HG LEU 10 HG LEU 10 -3.771 5.929 -3.848 69 HD11 LEU 10 1HD1 LEU 10 -1.853 4.401 -3.832 70 HD12 LEU 10 2HD1 LEU 10 -2.633 4.414 -5.410 71 HD13 LEU 10 3HD1 LEU 10 -2.899 3.060 -4.308 72 HD21 LEU 10 3HD2 LEU 10 -5.468 3.492 -4.500 73 HD22 LEU 10 1HD2 LEU 10 -5.076 4.802 -5.618 74 HD23 LEU 10 2HD2 LEU 10 -6.065 5.124 -4.196 75 H HIS 11 H HIS 11 -7.258 6.357 -2.423 76 HA HIS 11 HA HIS 11 -9.168 4.208 -1.778 77 HB2 HIS 11 1HB HIS 11 -9.827 6.467 -1.132 78 HB3 HIS 11 2HB HIS 11 -9.500 7.080 -2.747 79 HD1 HIS 11 HD1 HIS 11 -11.837 7.951 -3.202 80 HD2 HIS 11 HD2 HIS 11 -11.792 3.914 -2.187 81 HE1 HIS 11 HE1 HIS 11 -14.169 7.125 -3.598 82 HE2 HIS 11 HE2 HIS 11 -14.164 4.745 -2.804 83 H LEU 12 H LEU 12 -10.225 3.025 -3.380 84 HA LEU 12 HA LEU 12 -9.648 3.566 -6.232 85 HB2 LEU 12 1HB LEU 12 -9.444 0.894 -4.804 86 HB3 LEU 12 2HB LEU 12 -9.523 1.038 -6.552 87 HG LEU 12 HG LEU 12 -7.294 2.168 -4.805 88 HD11 LEU 12 1HD1 LEU 12 -7.273 -0.256 -6.639 89 HD12 LEU 12 2HD1 LEU 12 -7.230 -0.289 -4.875 90 HD13 LEU 12 3HD1 LEU 12 -5.881 0.403 -5.771 91 HD21 LEU 12 3HD2 LEU 12 -7.659 3.531 -6.817 92 HD22 LEU 12 1HD2 LEU 12 -7.556 2.093 -7.836 93 HD23 LEU 12 2HD2 LEU 12 -6.140 2.646 -6.937 94 H VAL 13 H VAL 13 -11.580 4.036 -7.069 95 HA VAL 13 HA VAL 13 -13.578 1.856 -7.176 96 HB VAL 13 HB VAL 13 -14.255 4.855 -7.166 97 HG11 VAL 13 1HG1 VAL 13 -15.729 3.647 -8.725 98 HG12 VAL 13 2HG1 VAL 13 -16.639 4.177 -7.311 99 HG13 VAL 13 3HG1 VAL 13 -16.149 2.486 -7.461 100 HG21 VAL 13 3HG2 VAL 13 -14.981 2.723 -5.124 101 HG22 VAL 13 1HG2 VAL 13 -15.544 4.398 -5.098 102 HG23 VAL 13 2HG2 VAL 13 -13.829 4.040 -4.895 103 H SER 14 H SER 14 -14.777 2.087 -9.568 104 HA SER 14 HA SER 14 -12.561 2.613 -11.412 105 HB2 SER 14 1HB SER 14 -13.651 0.341 -11.457 106 HB3 SER 14 2HB SER 14 -15.188 1.105 -11.864 107 HG SER 14 HG SER 14 -14.208 0.462 -13.761 108 H LEU 15 H LEU 15 -12.733 4.445 -12.654 109 HA LEU 15 HA LEU 15 -14.911 6.258 -12.283 110 HB2 LEU 15 1HB LEU 15 -13.685 7.754 -13.803 111 HB3 LEU 15 2HB LEU 15 -12.665 7.103 -12.541 112 HG LEU 15 HG LEU 15 -12.016 5.339 -14.497 113 HD11 LEU 15 1HD1 LEU 15 -11.837 6.415 -16.690 114 HD12 LEU 15 2HD1 LEU 15 -12.689 7.836 -16.077 115 HD13 LEU 15 3HD1 LEU 15 -13.525 6.286 -16.189 116 HD21 LEU 15 3HD2 LEU 15 -10.795 8.111 -14.245 117 HD22 LEU 15 1HD2 LEU 15 -10.023 6.705 -14.987 118 HD23 LEU 15 2HD2 LEU 15 -10.392 6.700 -13.265 119 HA PRO 16 HA PRO 16 -17.746 4.703 -15.334 120 HB2 PRO 16 1HB PRO 16 -19.093 7.050 -16.012 121 HB3 PRO 16 2HB PRO 16 -19.388 6.117 -14.538 122 HG2 PRO 16 1HG PRO 16 -17.668 8.564 -14.918 123 HG3 PRO 16 2HG PRO 16 -18.825 8.194 -13.618 124 HD2 PRO 16 1HD PRO 16 -16.180 7.876 -13.251 125 HD3 PRO 16 2HD PRO 16 -17.337 6.725 -12.541 126 H GLY 17 H GLY 17 -17.649 4.248 -17.447 127 HA2 GLY 17 1HA GLY 17 -17.269 4.735 -19.770 128 HA3 GLY 17 2HA GLY 17 -16.104 5.969 -19.310 129 H LEU 18 H LEU 18 -14.867 4.225 -17.248 130 HA LEU 18 HA LEU 18 -12.918 2.926 -18.946 131 HB2 LEU 18 1HB LEU 18 -12.248 4.180 -16.929 132 HB3 LEU 18 2HB LEU 18 -13.161 3.074 -15.917 133 HG LEU 18 HG LEU 18 -11.593 1.231 -16.512 134 HD11 LEU 18 1HD1 LEU 18 -10.893 1.940 -18.743 135 HD12 LEU 18 2HD1 LEU 18 -9.487 1.707 -17.708 136 HD13 LEU 18 3HD1 LEU 18 -10.055 3.340 -18.066 137 HD21 LEU 18 3HD2 LEU 18 -10.209 3.709 -15.426 138 HD22 LEU 18 1HD2 LEU 18 -9.649 2.044 -15.234 139 HD23 LEU 18 2HD2 LEU 18 -11.164 2.554 -14.491 140 H ASP 19 H ASP 19 -14.821 1.715 -16.146 141 HA ASP 19 HA ASP 19 -15.589 -0.725 -17.509 142 HB2 ASP 19 1HB ASP 19 -13.293 -1.330 -16.787 143 HB3 ASP 19 2HB ASP 19 -13.666 -0.849 -15.135 144 H GLN 20 H GLN 20 -17.698 -0.678 -16.999 145 HA GLN 20 HA GLN 20 -18.685 0.360 -14.482 146 HB2 GLN 20 1HB GLN 20 -20.085 -0.758 -16.947 147 HB3 GLN 20 2HB GLN 20 -20.964 -0.349 -15.480 148 HG2 GLN 20 1HG GLN 20 -21.173 1.487 -17.008 149 HG3 GLN 20 2HG GLN 20 -20.148 1.997 -15.673 150 HE21 GLN 20 2HE2 GLN 20 -20.256 1.233 -19.070 151 HE22 GLN 20 1HE2 GLN 20 -18.712 1.891 -19.479 152 H GLN 21 H GLN 21 -17.645 -1.082 -13.106 153 HA GLN 21 HA GLN 21 -19.226 -3.453 -12.446 154 HB2 GLN 21 1HB GLN 21 -17.223 -4.257 -13.781 155 HB3 GLN 21 2HB GLN 21 -16.173 -3.523 -12.578 156 HG2 GLN 21 1HG GLN 21 -17.046 -5.055 -10.856 157 HG3 GLN 21 2HG GLN 21 -18.136 -5.775 -12.042 158 HE21 GLN 21 2HE2 GLN 21 -14.843 -5.598 -10.921 159 HE22 GLN 21 1HE2 GLN 21 -14.221 -6.886 -11.881 160 H ASP 22 H ASP 22 -19.128 -3.901 -10.182 161 HA ASP 22 HA ASP 22 -18.645 -1.536 -8.565 162 HB2 ASP 22 1HB ASP 22 -20.690 -2.857 -8.177 163 HB3 ASP 22 2HB ASP 22 -19.737 -4.294 -7.837 164 H ILE 23 H ILE 23 -16.317 -1.488 -8.895 165 HA ILE 23 HA ILE 23 -14.909 -3.306 -7.026 166 HB ILE 23 HB ILE 23 -12.846 -2.960 -8.120 167 HG12 ILE 23 1HG1 ILE 23 -12.928 -1.283 -10.315 168 HG13 ILE 23 2HG1 ILE 23 -14.018 -0.422 -9.237 169 HG21 ILE 23 1HG2 ILE 23 -13.249 -3.606 -10.478 170 HG22 ILE 23 2HG2 ILE 23 -14.943 -3.142 -10.305 171 HG23 ILE 23 3HG2 ILE 23 -14.292 -4.474 -9.348 172 HD11 ILE 23 3HD1 ILE 23 -11.147 -1.164 -8.669 173 HD12 ILE 23 1HD1 ILE 23 -12.217 -0.305 -7.554 174 HD13 ILE 23 2HD1 ILE 23 -11.763 0.433 -9.090 175 H ASN 24 H ASN 24 -14.280 -2.510 -5.190 176 HA ASN 24 HA ASN 24 -13.581 0.271 -4.826 177 HB2 ASN 24 1HB ASN 24 -15.078 0.563 -2.808 178 HB3 ASN 24 2HB ASN 24 -15.923 0.534 -4.348 179 HD21 ASN 24 2HD2 ASN 24 -17.185 -1.311 -4.887 180 HD22 ASN 24 1HD2 ASN 24 -17.765 -2.384 -3.662 181 H ILE 25 H ILE 25 -11.906 0.417 -3.535 182 HA ILE 25 HA ILE 25 -11.067 -1.768 -1.773 183 HB ILE 25 HB ILE 25 -9.219 -0.635 -3.944 184 HG12 ILE 25 1HG1 ILE 25 -10.456 -3.431 -3.919 185 HG13 ILE 25 2HG1 ILE 25 -10.978 -2.118 -4.970 186 HG21 ILE 25 1HG2 ILE 25 -7.635 -2.401 -3.245 187 HG22 ILE 25 2HG2 ILE 25 -8.773 -2.946 -2.010 188 HG23 ILE 25 3HG2 ILE 25 -8.045 -1.342 -1.893 189 HD11 ILE 25 3HD1 ILE 25 -8.759 -2.105 -6.028 190 HD12 ILE 25 1HD1 ILE 25 -9.569 -3.666 -6.155 191 HD13 ILE 25 2HD1 ILE 25 -8.273 -3.445 -4.984 192 H HIS 26 H HIS 26 -9.945 -0.938 -0.061 193 HA HIS 26 HA HIS 26 -9.046 1.888 -0.093 194 HB2 HIS 26 1HB HIS 26 -9.568 0.195 2.400 195 HB3 HIS 26 2HB HIS 26 -9.402 1.943 2.299 196 HD1 HIS 26 HD1 HIS 26 -11.791 0.444 3.677 197 HD2 HIS 26 HD2 HIS 26 -11.887 2.016 -0.165 198 HE1 HIS 26 HE1 HIS 26 -14.214 0.866 3.177 199 HE2 HIS 26 HE2 HIS 26 -14.248 1.778 0.837 200 H ILE 27 H ILE 27 -6.809 2.142 0.228 201 HA ILE 27 HA ILE 27 -5.211 -0.228 1.030 202 HB ILE 27 HB ILE 27 -4.350 1.899 -1.002 203 HG12 ILE 27 1HG1 ILE 27 -5.052 -1.046 -1.477 204 HG13 ILE 27 2HG1 ILE 27 -6.014 0.331 -2.005 205 HG21 ILE 27 1HG2 ILE 27 -2.866 -0.597 -0.063 206 HG22 ILE 27 2HG2 ILE 27 -2.460 1.063 0.368 207 HG23 ILE 27 3HG2 ILE 27 -2.303 0.526 -1.304 208 HD11 ILE 27 3HD1 ILE 27 -4.178 1.010 -3.502 209 HD12 ILE 27 1HD1 ILE 27 -4.774 -0.612 -3.849 210 HD13 ILE 27 2HD1 ILE 27 -3.252 -0.404 -2.985 211 H ARG 28 H ARG 28 -4.724 0.286 3.047 212 HA ARG 28 HA ARG 28 -3.915 3.005 3.845 213 HB2 ARG 28 1HB ARG 28 -5.757 1.946 5.124 214 HB3 ARG 28 2HB ARG 28 -4.735 0.561 5.487 215 HG2 ARG 28 1HG ARG 28 -3.266 1.998 6.855 216 HG3 ARG 28 2HG ARG 28 -4.259 3.403 6.455 217 HD2 ARG 28 1HD ARG 28 -6.206 2.323 7.549 218 HD3 ARG 28 2HD ARG 28 -5.188 0.942 7.974 219 HE ARG 28 HE ARG 28 -3.851 2.976 9.087 220 HH11 ARG 28 1HH1 ARG 28 -7.258 2.207 9.252 221 HH12 ARG 28 2HH1 ARG 28 -7.429 2.778 10.877 222 HH21 ARG 28 1HH2 ARG 28 -4.081 3.705 11.226 223 HH22 ARG 28 2HH2 ARG 28 -5.638 3.639 11.992 224 H TYR 29 H TYR 29 -1.780 3.354 4.348 225 HA TYR 29 HA TYR 29 -0.072 1.019 4.928 226 HB2 TYR 29 1HB TYR 29 1.769 1.924 3.616 227 HB3 TYR 29 2HB TYR 29 0.368 1.693 2.593 228 HD1 TYR 29 HD2 TYR 29 -0.853 3.689 1.669 229 HD2 TYR 29 HD1 TYR 29 2.730 4.140 3.961 230 HE1 TYR 29 HE2 TYR 29 -0.603 5.993 0.844 231 HE2 TYR 29 HE1 TYR 29 2.971 6.435 3.136 232 HH TYR 29 HH TYR 29 2.260 7.825 1.314 233 H GLU 30 H GLU 30 0.869 1.193 6.780 234 HA GLU 30 HA GLU 30 1.355 3.814 8.063 235 HB2 GLU 30 1HB GLU 30 0.414 1.252 9.446 236 HB3 GLU 30 2HB GLU 30 0.789 2.783 10.237 237 HG2 GLU 30 1HG GLU 30 -1.105 3.827 8.942 238 HG3 GLU 30 2HG GLU 30 -1.523 2.220 8.352 239 H VAL 31 H VAL 31 3.510 4.029 8.264 240 HA VAL 31 HA VAL 31 5.281 1.746 8.141 241 HB VAL 31 HB VAL 31 5.908 4.705 8.584 242 HG11 VAL 31 1HG1 VAL 31 7.795 2.405 7.915 243 HG12 VAL 31 2HG1 VAL 31 7.749 3.300 9.433 244 HG13 VAL 31 3HG1 VAL 31 8.244 4.114 7.949 245 HG21 VAL 31 3HG2 VAL 31 4.830 4.286 6.410 246 HG22 VAL 31 1HG2 VAL 31 5.992 3.006 6.057 247 HG23 VAL 31 2HG2 VAL 31 6.534 4.679 6.178 248 H ARG 32 H ARG 32 5.766 0.589 9.818 249 HA ARG 32 HA ARG 32 5.766 1.683 12.575 250 HB2 ARG 32 1HB ARG 32 3.899 0.025 12.114 251 HB3 ARG 32 2HB ARG 32 5.114 -1.168 11.671 252 HG2 ARG 32 1HG ARG 32 6.038 -0.774 14.102 253 HG3 ARG 32 2HG ARG 32 4.458 -0.049 14.404 254 HD2 ARG 32 1HD ARG 32 3.399 -2.172 13.615 255 HD3 ARG 32 2HD ARG 32 5.020 -2.858 13.448 256 HE ARG 32 HE ARG 32 4.541 -1.871 16.090 257 HH11 ARG 32 1HH1 ARG 32 4.001 -4.633 13.983 258 HH12 ARG 32 2HH1 ARG 32 3.748 -5.738 15.294 259 HH21 ARG 32 1HH2 ARG 32 4.211 -3.359 17.813 260 HH22 ARG 32 2HH2 ARG 32 3.862 -5.023 17.459 261 H GLN 33 H GLN 33 7.399 0.599 13.953 262 HA GLN 33 HA GLN 33 9.747 -0.310 12.427 263 HB2 GLN 33 1HB GLN 33 9.740 0.840 15.240 264 HB3 GLN 33 2HB GLN 33 11.149 0.504 14.248 265 HG2 GLN 33 1HG GLN 33 9.071 2.657 13.757 266 HG3 GLN 33 2HG GLN 33 10.694 2.900 14.390 267 HE21 GLN 33 2HE2 GLN 33 8.780 2.463 11.560 268 HE22 GLN 33 1HE2 GLN 33 10.047 2.667 10.406 269 H ASN 34 H ASN 34 10.044 -2.421 12.513 270 HA ASN 34 HA ASN 34 9.480 -3.993 14.941 271 HB2 ASN 34 1HB ASN 34 9.801 -6.008 13.585 272 HB3 ASN 34 2HB ASN 34 8.638 -4.956 12.795 273 HD21 ASN 34 2HD2 ASN 34 11.047 -3.299 11.691 274 HD22 ASN 34 1HD2 ASN 34 11.561 -4.250 10.367 275 H ALA 35 H ALA 35 11.175 -5.183 15.958 276 HA ALA 35 HA ALA 35 13.764 -3.947 15.952 277 HB1 ALA 35 3HB ALA 35 12.754 -4.849 18.000 278 HB2 ALA 35 1HB ALA 35 14.323 -5.601 17.686 279 HB3 ALA 35 2HB ALA 35 12.831 -6.480 17.334 280 H GLU 36 H GLU 36 12.415 -6.351 13.989 281 HA GLU 36 HA GLU 36 14.709 -7.995 13.516 282 HB2 GLU 36 1HB GLU 36 12.468 -8.889 13.221 283 HB3 GLU 36 2HB GLU 36 12.075 -7.645 12.041 284 HG2 GLU 36 1HG GLU 36 13.759 -8.606 10.495 285 HG3 GLU 36 2HG GLU 36 14.083 -9.886 11.663 286 H SER 37 H SER 37 13.059 -5.491 11.514 287 HA SER 37 HA SER 37 15.469 -5.310 9.771 288 HB2 SER 37 1HB SER 37 13.467 -6.229 8.619 289 HB3 SER 37 2HB SER 37 12.549 -4.786 9.043 290 HG SER 37 HG SER 37 14.531 -5.151 7.111 291 H GLY 38 H GLY 38 13.804 -3.653 12.124 292 HA2 GLY 38 1HA GLY 38 14.057 -1.462 12.896 293 HA3 GLY 38 2HA GLY 38 14.886 -1.030 11.397 294 H ALA 39 H ALA 39 13.721 0.099 9.939 295 HA ALA 39 HA ALA 39 10.930 0.669 10.281 296 HB1 ALA 39 3HB ALA 39 12.738 1.278 7.894 297 HB2 ALA 39 1HB ALA 39 12.477 2.328 9.294 298 HB3 ALA 39 2HB ALA 39 11.145 1.978 8.195 299 H TYR 40 H TYR 40 9.182 -0.173 9.270 300 HA TYR 40 HA TYR 40 9.343 -1.485 6.691 301 HB2 TYR 40 1HB TYR 40 8.537 -3.629 7.219 302 HB3 TYR 40 2HB TYR 40 9.652 -3.336 8.538 303 HD1 TYR 40 HD1 TYR 40 8.697 -2.748 10.847 304 HD2 TYR 40 HD2 TYR 40 6.191 -4.064 7.629 305 HE1 TYR 40 HE1 TYR 40 6.917 -3.311 12.441 306 HE2 TYR 40 HE2 TYR 40 4.436 -4.607 9.225 307 HH TYR 40 HH TYR 40 4.164 -5.170 11.535 308 H VAL 41 H VAL 41 7.014 -1.927 5.867 309 HA VAL 41 HA VAL 41 5.131 0.038 7.054 310 HB VAL 41 HB VAL 41 4.980 -0.853 4.149 311 HG11 VAL 41 1HG1 VAL 41 3.933 1.615 5.590 312 HG12 VAL 41 2HG1 VAL 41 2.977 0.220 5.090 313 HG13 VAL 41 3HG1 VAL 41 3.716 1.257 3.870 314 HG21 VAL 41 3HG2 VAL 41 7.223 0.109 4.403 315 HG22 VAL 41 1HG2 VAL 41 6.543 1.550 5.155 316 HG23 VAL 41 2HG2 VAL 41 6.190 1.186 3.464 317 H HIS 42 H HIS 42 3.357 -0.813 7.894 318 HA HIS 42 HA HIS 42 2.359 -3.477 7.222 319 HB2 HIS 42 1HB HIS 42 2.337 -2.985 9.577 320 HB3 HIS 42 2HB HIS 42 1.642 -1.390 9.326 321 HD1 HIS 42 HD1 HIS 42 0.663 -5.041 9.409 322 HD2 HIS 42 HD2 HIS 42 -1.134 -1.301 9.266 323 HE1 HIS 42 HE1 HIS 42 -1.786 -5.456 9.732 324 HE2 HIS 42 HE2 HIS 42 -2.854 -3.204 9.431 325 H PHE 43 H PHE 43 0.906 -3.676 5.583 326 HA PHE 43 HA PHE 43 -0.707 -1.348 4.725 327 HB2 PHE 43 1HB PHE 43 -0.056 -3.887 3.170 328 HB3 PHE 43 2HB PHE 43 -0.925 -2.484 2.559 329 HD1 PHE 43 HD1 PHE 43 0.310 -0.387 2.039 330 HD2 PHE 43 HD2 PHE 43 2.380 -3.902 3.315 331 HE1 PHE 43 HE1 PHE 43 2.428 0.532 1.185 332 HE2 PHE 43 HE2 PHE 43 4.484 -2.969 2.482 333 HZ PHE 43 HZ PHE 43 4.514 -0.756 1.408 334 H ASP 44 H ASP 44 -2.927 -1.527 4.586 335 HA ASP 44 HA ASP 44 -4.283 -4.124 5.087 336 HB2 ASP 44 1HB ASP 44 -5.294 -1.372 5.965 337 HB3 ASP 44 2HB ASP 44 -6.122 -2.905 6.218 338 H MET 45 H MET 45 -5.569 -4.680 3.348 339 HA MET 45 HA MET 45 -6.772 -2.500 1.743 340 HB2 MET 45 1HB MET 45 -5.730 -5.198 0.790 341 HB3 MET 45 2HB MET 45 -6.742 -4.148 -0.195 342 HG2 MET 45 1HG MET 45 -5.023 -2.389 -0.106 343 HG3 MET 45 2HG MET 45 -4.008 -3.421 0.899 344 HE1 MET 45 3HE MET 45 -5.065 -4.525 -3.464 345 HE2 MET 45 1HE MET 45 -5.707 -3.084 -2.675 346 HE3 MET 45 2HE MET 45 -6.202 -4.688 -2.125 347 H ASP 46 H ASP 46 -8.952 -2.513 1.571 348 HA ASP 46 HA ASP 46 -10.546 -4.898 2.083 349 HB2 ASP 46 1HB ASP 46 -11.762 -4.005 4.020 350 HB3 ASP 46 2HB ASP 46 -10.047 -4.131 4.380 351 H GLY 47 H GLY 47 -12.691 -4.719 1.419 352 HA2 GLY 47 1HA GLY 47 -14.251 -2.496 0.842 353 HA3 GLY 47 2HA GLY 47 -13.317 -2.800 -0.624 354 H GLU 48 H GLU 48 -15.343 -3.411 -1.783 355 HA GLU 48 HA GLU 48 -15.700 -6.277 -1.540 356 HB2 GLU 48 1HB GLU 48 -18.179 -6.183 -1.660 357 HB3 GLU 48 2HB GLU 48 -17.534 -5.625 -0.123 358 HG2 GLU 48 1HG GLU 48 -17.923 -3.282 -0.789 359 HG3 GLU 48 2HG GLU 48 -18.525 -3.815 -2.357 360 H ILE 49 H ILE 49 -14.919 -6.673 -3.456 361 HA ILE 49 HA ILE 49 -15.899 -5.358 -5.875 362 HB ILE 49 HB ILE 49 -13.791 -7.539 -5.605 363 HG12 ILE 49 1HG1 ILE 49 -13.444 -4.507 -5.914 364 HG13 ILE 49 2HG1 ILE 49 -13.252 -5.384 -4.399 365 HG21 ILE 49 1HG2 ILE 49 -14.443 -5.727 -7.981 366 HG22 ILE 49 2HG2 ILE 49 -14.741 -7.463 -7.890 367 HG23 ILE 49 3HG2 ILE 49 -13.087 -6.857 -7.893 368 HD11 ILE 49 3HD1 ILE 49 -11.570 -5.777 -6.862 369 HD12 ILE 49 1HD1 ILE 49 -11.357 -6.578 -5.305 370 HD13 ILE 49 2HD1 ILE 49 -11.132 -4.838 -5.439 371 H ASP 50 H ASP 50 -17.271 -6.119 -7.317 372 HA ASP 50 HA ASP 50 -19.041 -7.211 -8.175 373 HB2 ASP 50 1HB ASP 50 -17.234 -8.873 -8.826 374 HB3 ASP 50 2HB ASP 50 -17.568 -9.762 -7.349 375 H GLY 51 H GLY 51 -18.830 -6.434 -5.322 376 HA2 GLY 51 1HA GLY 51 -20.384 -6.328 -3.605 377 HA3 GLY 51 2HA GLY 51 -21.219 -7.726 -4.262 378 H LYS 52 H LYS 52 -18.037 -8.656 -4.176 379 HA LYS 52 HA LYS 52 -18.424 -10.243 -1.814 380 HB2 LYS 52 1HB LYS 52 -16.239 -10.205 -3.907 381 HB3 LYS 52 2HB LYS 52 -16.280 -11.346 -2.561 382 HG2 LYS 52 1HG LYS 52 -18.391 -11.121 -4.745 383 HG3 LYS 52 2HG LYS 52 -17.133 -12.362 -4.643 384 HD2 LYS 52 1HD LYS 52 -18.085 -13.170 -2.511 385 HD3 LYS 52 2HD LYS 52 -19.322 -11.914 -2.569 386 HE2 LYS 52 1HE LYS 52 -20.240 -12.926 -4.635 387 HE3 LYS 52 2HE LYS 52 -19.008 -14.192 -4.553 388 HZ1 LYS 52 3HZ LYS 52 -21.046 -13.663 -2.461 389 HZ2 LYS 52 1HZ LYS 52 -19.920 -14.924 -2.473 390 HZ3 LYS 52 2HZ LYS 52 -21.150 -14.884 -3.627 391 HA PRO 53 HA PRO 53 -16.048 -7.186 0.541 392 HB2 PRO 53 1HB PRO 53 -16.625 -8.090 3.041 393 HB3 PRO 53 2HB PRO 53 -17.820 -7.221 2.063 394 HG2 PRO 53 1HG PRO 53 -17.514 -10.194 2.483 395 HG3 PRO 53 2HG PRO 53 -18.993 -9.209 2.524 396 HD2 PRO 53 1HD PRO 53 -18.233 -10.669 0.326 397 HD3 PRO 53 2HD PRO 53 -19.175 -9.168 0.201 398 H PHE 54 H PHE 54 -13.993 -7.167 1.344 399 HA PHE 54 HA PHE 54 -12.667 -9.654 2.141 400 HB2 PHE 54 1HB PHE 54 -10.761 -9.322 0.653 401 HB3 PHE 54 2HB PHE 54 -12.227 -9.442 -0.299 402 HD1 PHE 54 HD1 PHE 54 -13.169 -7.361 -1.401 403 HD2 PHE 54 HD2 PHE 54 -9.365 -7.347 0.558 404 HE1 PHE 54 HE1 PHE 54 -12.548 -5.305 -2.600 405 HE2 PHE 54 HE2 PHE 54 -8.760 -5.289 -0.641 406 HZ PHE 54 HZ PHE 54 -10.346 -4.270 -2.221 407 H SER 55 H SER 55 -11.003 -9.371 3.558 408 HA SER 55 HA SER 55 -9.985 -6.680 4.149 409 HB2 SER 55 1HB SER 55 -10.062 -7.212 6.596 410 HB3 SER 55 2HB SER 55 -11.671 -7.120 5.888 411 HG SER 55 HG SER 55 -10.208 -9.424 6.634 412 H ASP 56 H ASP 56 -7.886 -6.752 3.904 413 HA ASP 56 HA ASP 56 -6.340 -9.256 4.163 414 HB2 ASP 56 1HB ASP 56 -6.960 -8.804 1.756 415 HB3 ASP 56 2HB ASP 56 -6.161 -7.241 1.862 416 H SER 57 H SER 57 -4.217 -8.952 4.883 417 HA SER 57 HA SER 57 -3.137 -6.234 5.151 418 HB2 SER 57 1HB SER 57 -3.175 -8.223 7.469 419 HB3 SER 57 2HB SER 57 -2.456 -6.607 7.486 420 HG SER 57 HG SER 57 -4.576 -5.766 7.178 421 H PHE 58 H PHE 58 -1.077 -6.175 4.508 422 HA PHE 58 HA PHE 58 0.656 -8.551 4.673 423 HB2 PHE 58 1HB PHE 58 1.492 -8.192 2.359 424 HB3 PHE 58 2HB PHE 58 -0.201 -8.649 2.387 425 HD1 PHE 58 HD2 PHE 58 -1.968 -6.837 1.988 426 HD2 PHE 58 HD1 PHE 58 2.193 -6.157 1.270 427 HE1 PHE 58 HE2 PHE 58 -2.522 -4.948 0.521 428 HE2 PHE 58 HE1 PHE 58 1.627 -4.266 -0.188 429 HZ PHE 58 HZ PHE 58 -0.732 -3.665 -0.577 430 H GLU 59 H GLU 59 2.842 -8.049 4.916 431 HA GLU 59 HA GLU 59 3.479 -5.203 5.461 432 HB2 GLU 59 1HB GLU 59 4.245 -7.597 7.196 433 HB3 GLU 59 2HB GLU 59 4.743 -5.927 7.472 434 HG2 GLU 59 1HG GLU 59 2.397 -5.274 7.823 435 HG3 GLU 59 2HG GLU 59 1.889 -6.925 7.523 436 H LEU 60 H LEU 60 5.371 -4.515 4.727 437 HA LEU 60 HA LEU 60 7.314 -6.425 3.555 438 HB2 LEU 60 1HB LEU 60 6.266 -3.799 2.442 439 HB3 LEU 60 2HB LEU 60 7.736 -4.555 1.843 440 HG LEU 60 HG LEU 60 5.028 -5.947 1.790 441 HD11 LEU 60 1HD1 LEU 60 6.345 -4.370 -0.440 442 HD12 LEU 60 2HD1 LEU 60 4.846 -3.958 0.400 443 HD13 LEU 60 3HD1 LEU 60 4.919 -5.400 -0.612 444 HD21 LEU 60 3HD2 LEU 60 6.114 -7.456 0.174 445 HD22 LEU 60 1HD2 LEU 60 6.968 -7.466 1.715 446 HD23 LEU 60 2HD2 LEU 60 7.633 -6.572 0.344 447 HA PRO 61 HA PRO 61 10.145 -4.169 6.326 448 HB2 PRO 61 1HB PRO 61 12.493 -5.228 5.348 449 HB3 PRO 61 2HB PRO 61 11.429 -6.090 6.466 450 HG2 PRO 61 1HG PRO 61 11.594 -6.314 3.460 451 HG3 PRO 61 2HG PRO 61 11.533 -7.611 4.678 452 HD2 PRO 61 1HD PRO 61 9.321 -6.870 3.327 453 HD3 PRO 61 2HD PRO 61 9.229 -7.336 5.042 454 H ARG 62 H ARG 62 11.711 -2.470 6.099 455 HA ARG 62 HA ARG 62 11.467 -0.556 4.227 456 HB2 ARG 62 1HB ARG 62 13.507 0.428 5.015 457 HB3 ARG 62 2HB ARG 62 12.835 -0.466 6.370 458 HG2 ARG 62 1HG ARG 62 14.420 -2.327 5.924 459 HG3 ARG 62 2HG ARG 62 15.107 -1.402 4.588 460 HD2 ARG 62 1HD ARG 62 15.617 0.414 6.361 461 HD3 ARG 62 2HD ARG 62 15.301 -0.847 7.558 462 HE ARG 62 HE ARG 62 17.628 -0.538 5.934 463 HH11 ARG 62 1HH1 ARG 62 15.710 -3.048 7.528 464 HH12 ARG 62 2HH1 ARG 62 17.013 -4.192 7.519 465 HH21 ARG 62 1HH2 ARG 62 19.298 -2.070 5.954 466 HH22 ARG 62 2HH2 ARG 62 19.029 -3.640 6.645 467 H ASP 63 H ASP 63 13.394 -3.443 3.813 468 HA ASP 63 HA ASP 63 15.009 -2.648 1.614 469 HB2 ASP 63 1HB ASP 63 15.608 -4.456 3.214 470 HB3 ASP 63 2HB ASP 63 14.279 -5.438 2.613 471 H THR 64 H THR 64 11.743 -3.920 1.810 472 HA THR 64 HA THR 64 11.550 -4.152 -1.125 473 HB THR 64 HB THR 64 10.022 -6.158 -0.820 474 HG1 THR 64 HG1 THR 64 10.391 -7.298 1.240 475 HG21 THR 64 3HG2 THR 64 12.360 -6.504 -1.552 476 HG22 THR 64 1HG2 THR 64 11.811 -7.830 -0.527 477 HG23 THR 64 2HG2 THR 64 12.881 -6.591 0.134 478 H ALA 65 H ALA 65 10.710 -2.304 1.237 479 HA ALA 65 HA ALA 65 7.897 -2.234 1.412 480 HB1 ALA 65 3HB ALA 65 9.363 -1.049 2.989 481 HB2 ALA 65 1HB ALA 65 8.179 0.051 2.277 482 HB3 ALA 65 2HB ALA 65 9.852 0.069 1.716 483 H PHE 66 H PHE 66 10.131 -0.547 -0.723 484 HA PHE 66 HA PHE 66 8.196 0.899 -2.243 485 HB2 PHE 66 1HB PHE 66 11.057 0.243 -3.069 486 HB3 PHE 66 2HB PHE 66 10.066 1.586 -3.641 487 HD1 PHE 66 HD2 PHE 66 9.398 3.409 -1.985 488 HD2 PHE 66 HD1 PHE 66 12.355 0.460 -1.062 489 HE1 PHE 66 HE2 PHE 66 10.216 4.797 -0.137 490 HE2 PHE 66 HE1 PHE 66 13.161 1.857 0.797 491 HZ PHE 66 HZ PHE 66 12.092 4.022 1.258 492 H ASN 67 H ASN 67 8.812 -2.367 -2.264 493 HA ASN 67 HA ASN 67 8.190 -2.868 -5.078 494 HB2 ASN 67 1HB ASN 67 8.657 -4.708 -2.694 495 HB3 ASN 67 2HB ASN 67 8.202 -5.306 -4.281 496 HD21 ASN 67 2HD2 ASN 67 10.482 -2.607 -3.940 497 HD22 ASN 67 1HD2 ASN 67 11.872 -3.511 -4.405 498 H PHE 68 H PHE 68 6.476 -1.848 -2.515 499 HA PHE 68 HA PHE 68 4.273 -3.435 -2.162 500 HB2 PHE 68 1HB PHE 68 3.124 -1.537 -1.229 501 HB3 PHE 68 2HB PHE 68 4.820 -1.402 -0.807 502 HD1 PHE 68 HD1 PHE 68 6.281 0.154 -2.377 503 HD2 PHE 68 HD2 PHE 68 2.023 0.342 -2.156 504 HE1 PHE 68 HE1 PHE 68 6.341 2.412 -3.342 505 HE2 PHE 68 HE2 PHE 68 2.090 2.593 -3.116 506 HZ PHE 68 HZ PHE 68 4.238 3.638 -3.714 507 H ALA 69 H ALA 69 4.534 -0.753 -4.600 508 HA ALA 69 HA ALA 69 1.995 -0.814 -5.591 509 HB1 ALA 69 3HB ALA 69 3.669 0.898 -6.138 510 HB2 ALA 69 1HB ALA 69 2.866 0.291 -7.588 511 HB3 ALA 69 2HB ALA 69 4.501 -0.244 -7.192 512 H SER 70 H SER 70 4.539 -3.131 -6.357 513 HA SER 70 HA SER 70 3.231 -4.362 -8.588 514 HB2 SER 70 1HB SER 70 5.327 -5.519 -6.692 515 HB3 SER 70 2HB SER 70 4.914 -6.133 -8.297 516 HG SER 70 HG SER 70 5.510 -3.523 -8.482 517 H ASP 71 H ASP 71 3.516 -5.175 -5.094 518 HA ASP 71 HA ASP 71 1.904 -7.537 -5.293 519 HB2 ASP 71 1HB ASP 71 3.718 -7.271 -3.602 520 HB3 ASP 71 2HB ASP 71 2.758 -6.045 -2.779 521 H ALA 72 H ALA 72 1.301 -4.443 -3.622 522 HA ALA 72 HA ALA 72 -1.282 -4.625 -2.815 523 HB1 ALA 72 3HB ALA 72 -1.419 -2.180 -2.988 524 HB2 ALA 72 1HB ALA 72 -0.029 -2.167 -4.079 525 HB3 ALA 72 2HB ALA 72 0.170 -2.678 -2.402 526 H THR 73 H THR 73 -0.217 -3.955 -6.116 527 HA THR 73 HA THR 73 -2.862 -3.679 -7.229 528 HB THR 73 HB THR 73 -0.162 -4.143 -8.567 529 HG1 THR 73 HG1 THR 73 -0.325 -2.116 -7.632 530 HG21 THR 73 3HG2 THR 73 -1.277 -3.464 -10.679 531 HG22 THR 73 1HG2 THR 73 -2.838 -3.479 -9.862 532 HG23 THR 73 2HG2 THR 73 -1.929 -4.981 -10.062 533 H ARG 74 H ARG 74 -0.452 -6.280 -7.089 534 HA ARG 74 HA ARG 74 -1.637 -8.245 -8.663 535 HB2 ARG 74 1HB ARG 74 0.680 -8.350 -7.884 536 HB3 ARG 74 2HB ARG 74 0.154 -8.524 -6.217 537 HG2 ARG 74 1HG ARG 74 -0.793 -10.745 -6.746 538 HG3 ARG 74 2HG ARG 74 -0.277 -10.564 -8.428 539 HD2 ARG 74 1HD ARG 74 2.079 -10.441 -7.686 540 HD3 ARG 74 2HD ARG 74 1.564 -10.611 -6.006 541 HE ARG 74 HE ARG 74 0.607 -12.843 -6.783 542 HH11 ARG 74 1HH1 ARG 74 3.497 -11.456 -8.217 543 HH12 ARG 74 2HH1 ARG 74 4.199 -12.995 -8.593 544 HH21 ARG 74 1HH2 ARG 74 1.536 -14.855 -7.274 545 HH22 ARG 74 2HH2 ARG 74 3.080 -14.921 -8.064 546 H VAL 75 H VAL 75 -2.036 -7.687 -5.180 547 HA VAL 75 HA VAL 75 -3.882 -9.821 -4.750 548 HB VAL 75 HB VAL 75 -2.410 -9.027 -2.942 549 HG11 VAL 75 1HG1 VAL 75 -4.042 -6.472 -2.932 550 HG12 VAL 75 2HG1 VAL 75 -2.354 -6.633 -3.419 551 HG13 VAL 75 3HG1 VAL 75 -2.816 -6.920 -1.741 552 HG21 VAL 75 3HG2 VAL 75 -4.037 -8.991 -1.089 553 HG22 VAL 75 1HG2 VAL 75 -4.472 -10.201 -2.297 554 HG23 VAL 75 2HG2 VAL 75 -5.345 -8.669 -2.230 555 H ALA 76 H ALA 76 -4.191 -6.435 -5.679 556 HA ALA 76 HA ALA 76 -6.941 -6.053 -4.995 557 HB1 ALA 76 3HB ALA 76 -6.776 -4.046 -6.429 558 HB2 ALA 76 1HB ALA 76 -5.212 -4.599 -7.029 559 HB3 ALA 76 2HB ALA 76 -5.399 -4.157 -5.331 560 H GLN 77 H GLN 77 -5.199 -7.018 -7.910 561 HA GLN 77 HA GLN 77 -7.571 -7.239 -9.551 562 HB2 GLN 77 1HB GLN 77 -6.092 -8.021 -11.342 563 HB3 GLN 77 2HB GLN 77 -5.512 -6.520 -10.629 564 HG2 GLN 77 1HG GLN 77 -3.785 -7.701 -9.411 565 HG3 GLN 77 2HG GLN 77 -4.402 -9.260 -9.959 566 HE21 GLN 77 2HE2 GLN 77 -4.075 -9.868 -12.125 567 HE22 GLN 77 1HE2 GLN 77 -2.893 -9.102 -13.125 568 H LYS 78 H LYS 78 -5.596 -9.418 -7.625 569 HA LYS 78 HA LYS 78 -6.772 -11.864 -8.415 570 HB2 LYS 78 1HB LYS 78 -4.697 -11.663 -7.032 571 HB3 LYS 78 2HB LYS 78 -5.661 -11.072 -5.684 572 HG2 LYS 78 1HG LYS 78 -6.818 -13.221 -5.517 573 HG3 LYS 78 2HG LYS 78 -5.969 -13.824 -6.942 574 HD2 LYS 78 1HD LYS 78 -4.613 -13.012 -4.333 575 HD3 LYS 78 2HD LYS 78 -5.024 -14.669 -4.772 576 HE2 LYS 78 1HE LYS 78 -3.108 -12.875 -6.304 577 HE3 LYS 78 2HE LYS 78 -2.642 -14.163 -5.192 578 HZ1 LYS 78 3HZ LYS 78 -4.176 -14.531 -7.713 579 HZ2 LYS 78 1HZ LYS 78 -3.722 -15.764 -6.642 580 HZ3 LYS 78 2HZ LYS 78 -2.544 -14.895 -7.484 581 H HIS 79 H HIS 79 -7.908 -9.223 -6.448 582 HA HIS 79 HA HIS 79 -10.212 -10.670 -5.391 583 HB2 HIS 79 1HB HIS 79 -9.223 -7.820 -5.079 584 HB3 HIS 79 2HB HIS 79 -10.824 -8.290 -4.525 585 HD1 HIS 79 HD1 HIS 79 -7.548 -7.885 -3.235 586 HD2 HIS 79 HD2 HIS 79 -10.536 -10.716 -2.687 587 HE1 HIS 79 HE1 HIS 79 -7.054 -8.970 -1.031 588 HE2 HIS 79 HE2 HIS 79 -8.704 -10.853 -0.873 589 H GLY 80 H GLY 80 -9.639 -9.502 -8.466 590 HA2 GLY 80 1HA GLY 80 -11.476 -9.830 -10.000 591 HA3 GLY 80 2HA GLY 80 -12.542 -9.007 -8.882 592 H LEU 81 H LEU 81 -9.318 -7.923 -10.025 593 HA LEU 81 HA LEU 81 -10.656 -5.914 -11.768 594 HB2 LEU 81 1HB LEU 81 -8.039 -5.704 -10.234 595 HB3 LEU 81 2HB LEU 81 -8.246 -4.790 -11.706 596 HG LEU 81 HG LEU 81 -8.670 -3.345 -9.823 597 HD11 LEU 81 1HD1 LEU 81 -11.306 -4.018 -11.167 598 HD12 LEU 81 2HD1 LEU 81 -10.040 -2.979 -11.825 599 HD13 LEU 81 3HD1 LEU 81 -10.890 -2.503 -10.360 600 HD21 LEU 81 3HD2 LEU 81 -10.812 -5.288 -8.922 601 HD22 LEU 81 1HD2 LEU 81 -10.446 -3.725 -8.184 602 HD23 LEU 81 2HD2 LEU 81 -9.252 -5.021 -8.142 603 H HIS 82 H HIS 82 -10.169 -5.985 -13.911 604 HA HIS 82 HA HIS 82 -8.238 -7.971 -14.910 605 HB2 HIS 82 1HB HIS 82 -10.399 -6.348 -16.319 606 HB3 HIS 82 2HB HIS 82 -9.266 -7.395 -17.170 607 HD1 HIS 82 HD1 HIS 82 -12.450 -7.769 -17.025 608 HD2 HIS 82 HD2 HIS 82 -9.596 -9.910 -14.892 609 HE1 HIS 82 HE1 HIS 82 -13.533 -9.958 -16.452 610 HE2 HIS 82 HE2 HIS 82 -11.857 -11.145 -15.006 611 HA PRO 83 HA PRO 83 -5.050 -4.931 -15.903 612 HB2 PRO 83 1HB PRO 83 -4.790 -6.317 -18.566 613 HB3 PRO 83 2HB PRO 83 -3.547 -5.962 -17.357 614 HG2 PRO 83 1HG PRO 83 -4.471 -8.445 -17.609 615 HG3 PRO 83 2HG PRO 83 -4.178 -7.773 -15.987 616 HD2 PRO 83 1HD PRO 83 -6.795 -8.092 -17.467 617 HD3 PRO 83 2HD PRO 83 -6.416 -8.432 -15.762 618 H LYS 84 H LYS 84 -7.818 -5.316 -17.913 619 HA LYS 84 HA LYS 84 -7.434 -3.246 -19.814 620 HB2 LYS 84 1HB LYS 84 -10.097 -4.259 -18.727 621 HB3 LYS 84 2HB LYS 84 -9.814 -3.474 -20.280 622 HG2 LYS 84 1HG LYS 84 -8.818 -6.223 -19.443 623 HG3 LYS 84 2HG LYS 84 -10.143 -5.890 -20.561 624 HD2 LYS 84 1HD LYS 84 -7.238 -5.085 -21.038 625 HD3 LYS 84 2HD LYS 84 -7.991 -6.540 -21.691 626 HE2 LYS 84 1HE LYS 84 -8.893 -3.697 -22.288 627 HE3 LYS 84 2HE LYS 84 -7.897 -4.692 -23.351 628 HZ1 LYS 84 3HZ LYS 84 -10.667 -5.311 -22.493 629 HZ2 LYS 84 1HZ LYS 84 -9.713 -6.277 -23.501 630 HZ3 LYS 84 2HZ LYS 84 -10.203 -4.747 -24.013 631 H PHE 85 H PHE 85 -8.606 -3.301 -16.518 632 HA PHE 85 HA PHE 85 -9.614 -0.702 -16.182 633 HB2 PHE 85 1HB PHE 85 -9.888 -2.475 -14.505 634 HB3 PHE 85 2HB PHE 85 -8.154 -2.559 -14.248 635 HD1 PHE 85 HD2 PHE 85 -11.121 -0.319 -13.819 636 HD2 PHE 85 HD1 PHE 85 -7.122 -1.200 -12.563 637 HE1 PHE 85 HE2 PHE 85 -11.330 1.289 -11.973 638 HE2 PHE 85 HE1 PHE 85 -7.351 0.413 -10.718 639 HZ PHE 85 HZ PHE 85 -9.458 1.659 -10.423 640 H GLY 86 H GLY 86 -6.329 -1.878 -16.417 641 HA2 GLY 86 1HA GLY 86 -4.345 -0.693 -16.690 642 HA3 GLY 86 2HA GLY 86 -5.170 0.803 -16.256 643 H ALA 87 H ALA 87 -4.914 -2.326 -14.612 644 HA ALA 87 HA ALA 87 -4.457 -1.173 -12.041 645 HB1 ALA 87 3HB ALA 87 -4.193 -4.065 -12.937 646 HB2 ALA 87 1HB ALA 87 -5.670 -3.300 -12.342 647 HB3 ALA 87 2HB ALA 87 -4.286 -3.499 -11.268 648 H ILE 88 H ILE 88 -2.352 -3.595 -13.648 649 HA ILE 88 HA ILE 88 0.050 -2.255 -12.563 650 HB ILE 88 HB ILE 88 -0.342 -4.674 -12.012 651 HG12 ILE 88 1HG1 ILE 88 2.167 -4.182 -13.689 652 HG13 ILE 88 2HG1 ILE 88 1.976 -3.754 -11.993 653 HG21 ILE 88 1HG2 ILE 88 -0.052 -6.432 -13.733 654 HG22 ILE 88 2HG2 ILE 88 0.078 -5.192 -14.981 655 HG23 ILE 88 3HG2 ILE 88 -1.434 -5.393 -14.097 656 HD11 ILE 88 3HD1 ILE 88 2.037 -6.535 -13.152 657 HD12 ILE 88 1HD1 ILE 88 1.785 -6.150 -11.448 658 HD13 ILE 88 2HD1 ILE 88 3.312 -5.743 -12.228 659 H THR 89 H THR 89 -1.684 -2.747 -15.462 660 HA THR 89 HA THR 89 0.540 -2.616 -17.327 661 HB THR 89 HB THR 89 -1.434 -2.613 -19.014 662 HG1 THR 89 HG1 THR 89 -3.365 -2.408 -18.175 663 HG21 THR 89 3HG2 THR 89 -1.933 -5.010 -18.654 664 HG22 THR 89 1HG2 THR 89 -1.239 -4.921 -17.034 665 HG23 THR 89 2HG2 THR 89 -0.208 -4.695 -18.450 666 H ARG 90 H ARG 90 -1.100 -0.300 -15.564 667 HA ARG 90 HA ARG 90 -0.652 1.865 -17.535 668 HB2 ARG 90 1HB ARG 90 -2.865 1.671 -16.207 669 HB3 ARG 90 2HB ARG 90 -1.945 2.098 -14.774 670 HG2 ARG 90 1HG ARG 90 -2.981 4.112 -15.519 671 HG3 ARG 90 2HG ARG 90 -1.281 4.250 -15.978 672 HD2 ARG 90 1HD ARG 90 -1.831 3.607 -18.289 673 HD3 ARG 90 2HD ARG 90 -3.526 3.383 -17.842 674 HE ARG 90 HE ARG 90 -2.664 6.028 -17.227 675 HH11 ARG 90 1HH1 ARG 90 -3.587 4.043 -19.973 676 HH12 ARG 90 2HH1 ARG 90 -4.131 5.389 -20.918 677 HH21 ARG 90 1HH2 ARG 90 -3.378 7.777 -18.472 678 HH22 ARG 90 2HH2 ARG 90 -4.001 7.513 -20.069 679 H VAL 91 H VAL 91 1.383 2.756 -17.409 680 HA VAL 91 HA VAL 91 3.061 2.484 -15.106 681 HB VAL 91 HB VAL 91 4.616 4.116 -16.232 682 HG11 VAL 91 1HG1 VAL 91 4.830 1.698 -16.639 683 HG12 VAL 91 2HG1 VAL 91 5.277 2.614 -18.077 684 HG13 VAL 91 3HG1 VAL 91 3.707 1.809 -17.998 685 HG21 VAL 91 3HG2 VAL 91 3.002 5.502 -17.483 686 HG22 VAL 91 1HG2 VAL 91 2.584 4.126 -18.506 687 HG23 VAL 91 2HG2 VAL 91 4.205 4.823 -18.575 688 H HIS 92 H HIS 92 2.198 3.305 -13.292 689 HA HIS 92 HA HIS 92 0.724 5.731 -13.090 690 HB2 HIS 92 1HB HIS 92 2.102 4.133 -10.883 691 HB3 HIS 92 2HB HIS 92 0.968 5.458 -10.614 692 HD1 HIS 92 HD1 HIS 92 -1.555 4.969 -11.050 693 HD2 HIS 92 HD2 HIS 92 0.915 1.678 -11.627 694 HE1 HIS 92 HE1 HIS 92 -3.092 2.988 -11.233 695 HE2 HIS 92 HE2 HIS 92 -1.559 1.004 -11.383 696 H LYS 93 H LYS 93 1.610 7.638 -13.536 697 HA LYS 93 HA LYS 93 4.443 8.132 -13.472 698 HB2 LYS 93 1HB LYS 93 2.111 10.022 -13.996 699 HB3 LYS 93 2HB LYS 93 3.807 10.403 -14.287 700 HG2 LYS 93 1HG LYS 93 3.908 8.558 -15.956 701 HG3 LYS 93 2HG LYS 93 2.193 8.246 -15.689 702 HD2 LYS 93 1HD LYS 93 3.319 10.882 -16.729 703 HD3 LYS 93 2HD LYS 93 2.700 9.596 -17.760 704 HE2 LYS 93 1HE LYS 93 0.925 11.158 -17.595 705 HE3 LYS 93 2HE LYS 93 0.476 9.859 -16.496 706 HZ1 LYS 93 3HZ LYS 93 0.076 12.062 -15.570 707 HZ2 LYS 93 1HZ LYS 93 1.721 12.431 -15.678 708 HZ3 LYS 93 2HZ LYS 93 1.192 11.205 -14.642 709 H GLU 94 H GLU 94 1.732 8.819 -11.388 710 HA GLU 94 HA GLU 94 3.200 10.577 -9.584 711 HB2 GLU 94 1HB GLU 94 0.413 9.368 -9.391 712 HB3 GLU 94 2HB GLU 94 1.072 10.578 -8.288 713 HG2 GLU 94 1HG GLU 94 1.199 12.220 -10.093 714 HG3 GLU 94 2HG GLU 94 0.696 11.002 -11.267 715 H TYR 95 H TYR 95 3.386 7.329 -10.076 716 HA TYR 95 HA TYR 95 3.423 6.180 -7.516 717 HB2 TYR 95 1HB TYR 95 3.652 4.675 -9.373 718 HB3 TYR 95 2HB TYR 95 5.016 5.567 -10.034 719 HD1 TYR 95 HD2 TYR 95 4.065 3.558 -6.987 720 HD2 TYR 95 HD1 TYR 95 7.216 4.759 -9.619 721 HE1 TYR 95 HE2 TYR 95 5.631 2.089 -5.797 722 HE2 TYR 95 HE1 TYR 95 8.780 3.294 -8.417 723 HH TYR 95 HH TYR 95 7.726 0.944 -6.165 724 H ASP 96 H ASP 96 5.848 8.128 -9.252 725 HA ASP 96 HA ASP 96 8.009 7.832 -7.481 726 HB2 ASP 96 1HB ASP 96 7.280 10.130 -9.336 727 HB3 ASP 96 2HB ASP 96 8.818 10.029 -8.479 728 H ALA 97 H ALA 97 5.212 9.961 -7.353 729 HA ALA 97 HA ALA 97 6.119 11.679 -5.254 730 HB1 ALA 97 3HB ALA 97 4.344 12.345 -6.829 731 HB2 ALA 97 1HB ALA 97 3.784 12.445 -5.157 732 HB3 ALA 97 2HB ALA 97 3.286 11.095 -6.178 733 H MET 98 H MET 98 3.896 8.869 -5.270 734 HA MET 98 HA MET 98 3.598 8.517 -2.511 735 HB2 MET 98 1HB MET 98 2.341 7.403 -4.410 736 HB3 MET 98 2HB MET 98 3.715 6.332 -4.624 737 HG2 MET 98 1HG MET 98 3.355 5.437 -2.351 738 HG3 MET 98 2HG MET 98 1.971 6.512 -2.151 739 HE1 MET 98 3HE MET 98 -0.213 5.023 -5.265 740 HE2 MET 98 1HE MET 98 1.155 6.105 -5.526 741 HE3 MET 98 2HE MET 98 -0.012 6.446 -4.247 742 H PHE 99 H PHE 99 6.034 7.320 -4.670 743 HA PHE 99 HA PHE 99 7.520 5.556 -3.096 744 HB2 PHE 99 1HB PHE 99 7.752 5.746 -5.550 745 HB3 PHE 99 2HB PHE 99 8.428 7.356 -5.384 746 HD1 PHE 99 HD2 PHE 99 9.097 3.743 -4.964 747 HD2 PHE 99 HD1 PHE 99 10.785 7.675 -4.786 748 HE1 PHE 99 HE2 PHE 99 11.361 2.784 -4.912 749 HE2 PHE 99 HE1 PHE 99 13.041 6.698 -4.731 750 HZ PHE 99 HZ PHE 99 13.331 4.252 -4.794 751 H GLU 100 H GLU 100 8.051 9.040 -3.699 752 HA GLU 100 HA GLU 100 10.279 9.274 -1.958 753 HB2 GLU 100 1HB GLU 100 10.134 11.680 -2.329 754 HB3 GLU 100 2HB GLU 100 9.985 10.797 -3.843 755 HG2 GLU 100 1HG GLU 100 7.572 11.151 -3.861 756 HG3 GLU 100 2HG GLU 100 7.653 11.944 -2.290 757 H ASP 101 H ASP 101 6.814 9.717 -1.511 758 HA ASP 101 HA ASP 101 6.773 10.908 1.038 759 HB2 ASP 101 1HB ASP 101 4.716 10.646 -0.274 760 HB3 ASP 101 2HB ASP 101 4.845 8.893 -0.211 761 H ILE 102 H ILE 102 6.629 7.478 0.146 762 HA ILE 102 HA ILE 102 6.786 6.395 2.715 763 HB ILE 102 HB ILE 102 7.387 5.157 -0.004 764 HG12 ILE 102 1HG1 ILE 102 4.947 5.024 1.841 765 HG13 ILE 102 2HG1 ILE 102 5.054 5.916 0.329 766 HG21 ILE 102 1HG2 ILE 102 7.104 3.678 2.645 767 HG22 ILE 102 2HG2 ILE 102 8.571 3.803 1.677 768 HG23 ILE 102 3HG2 ILE 102 7.184 2.916 1.052 769 HD11 ILE 102 3HD1 ILE 102 5.102 2.915 0.639 770 HD12 ILE 102 1HD1 ILE 102 5.238 3.791 -0.888 771 HD13 ILE 102 2HD1 ILE 102 3.759 3.900 0.063 772 H ARG 103 H ARG 103 9.473 7.177 0.456 773 HA ARG 103 HA ARG 103 11.459 5.881 2.085 774 HB2 ARG 103 1HB ARG 103 13.200 6.891 0.706 775 HB3 ARG 103 2HB ARG 103 11.930 6.200 -0.279 776 HG2 ARG 103 1HG ARG 103 12.356 8.130 -1.438 777 HG3 ARG 103 2HG ARG 103 11.041 8.664 -0.402 778 HD2 ARG 103 1HD ARG 103 12.612 9.791 1.089 779 HD3 ARG 103 2HD ARG 103 13.982 9.132 0.186 780 HE ARG 103 HE ARG 103 13.433 10.530 -1.655 781 HH11 ARG 103 1HH1 ARG 103 11.604 11.347 1.228 782 HH12 ARG 103 2HH1 ARG 103 11.022 12.838 0.570 783 HH21 ARG 103 1HH2 ARG 103 12.657 12.497 -2.480 784 HH22 ARG 103 2HH2 ARG 103 11.623 13.497 -1.507 785 H ALA 104 H ALA 104 10.064 9.084 2.136 786 HA ALA 104 HA ALA 104 11.972 10.211 3.998 787 HB1 ALA 104 3HB ALA 104 10.695 11.666 2.489 788 HB2 ALA 104 1HB ALA 104 10.365 12.076 4.170 789 HB3 ALA 104 2HB ALA 104 9.183 11.149 3.236 790 H LYS 105 H LYS 105 8.628 8.947 4.226 791 HA LYS 105 HA LYS 105 8.182 9.055 6.914 792 HB2 LYS 105 1HB LYS 105 6.632 8.439 4.943 793 HB3 LYS 105 2HB LYS 105 7.227 6.797 5.113 794 HG2 LYS 105 1HG LYS 105 5.086 7.024 6.218 795 HG3 LYS 105 2HG LYS 105 6.345 6.733 7.424 796 HD2 LYS 105 1HD LYS 105 6.384 9.123 8.000 797 HD3 LYS 105 2HD LYS 105 5.193 9.465 6.740 798 HE2 LYS 105 1HE LYS 105 4.697 7.644 9.111 799 HE3 LYS 105 2HE LYS 105 4.233 9.348 9.054 800 HZ1 LYS 105 3HZ LYS 105 3.273 7.258 7.178 801 HZ2 LYS 105 1HZ LYS 105 2.791 8.877 7.190 802 HZ3 LYS 105 2HZ LYS 105 2.393 7.863 8.485 803 H LEU 106 H LEU 106 9.644 6.363 5.127 804 HA LEU 106 HA LEU 106 10.197 4.645 7.258 805 HB2 LEU 106 1HB LEU 106 11.213 4.932 4.459 806 HB3 LEU 106 2HB LEU 106 12.303 4.089 5.538 807 HG LEU 106 HG LEU 106 10.600 2.376 6.004 808 HD11 LEU 106 1HD1 LEU 106 8.585 3.768 5.831 809 HD12 LEU 106 2HD1 LEU 106 8.464 2.313 4.852 810 HD13 LEU 106 3HD1 LEU 106 8.800 3.863 4.081 811 HD21 LEU 106 3HD2 LEU 106 10.934 2.841 3.017 812 HD22 LEU 106 1HD2 LEU 106 10.508 1.313 3.793 813 HD23 LEU 106 2HD2 LEU 106 12.094 2.027 4.073 814 H HIS 107 H HIS 107 11.949 7.450 6.073 815 HA HIS 107 HA HIS 107 14.213 7.121 7.855 816 HB2 HIS 107 1HB HIS 107 14.414 8.256 5.636 817 HB3 HIS 107 2HB HIS 107 13.342 9.536 6.195 818 HD1 HIS 107 HD1 HIS 107 16.750 8.051 6.995 819 HD2 HIS 107 HD2 HIS 107 14.659 11.614 7.432 820 HE1 HIS 107 HE1 HIS 107 18.406 9.694 7.922 821 HE2 HIS 107 HE2 HIS 107 17.070 11.790 8.325 822 H ALA 108 H ALA 108 11.025 8.486 8.027 823 HA ALA 108 HA ALA 108 9.749 9.087 9.747 824 HB1 ALA 108 3HB ALA 108 12.212 9.356 11.498 825 HB2 ALA 108 1HB ALA 108 11.172 7.934 11.395 826 HB3 ALA 108 2HB ALA 108 10.531 9.448 12.032 827 H HIS 109 H HIS 109 12.753 10.922 9.433 828 HA HIS 109 HA HIS 109 11.340 13.479 9.636 829 HB2 HIS 109 1HB HIS 109 14.308 12.831 9.298 830 HB3 HIS 109 2HB HIS 109 13.648 14.453 9.510 831 HD1 HIS 109 HD1 HIS 109 13.621 15.254 11.875 832 HD2 HIS 109 HD2 HIS 109 13.659 11.103 11.673 833 HE1 HIS 109 HE1 HIS 109 13.759 14.463 14.252 834 HE2 HIS 109 HE2 HIS 109 13.583 11.961 14.108 835 HA PRO 110 HA PRO 110 10.861 13.728 5.172 836 HB2 PRO 110 1HB PRO 110 10.680 16.445 4.795 837 HB3 PRO 110 2HB PRO 110 9.385 15.489 5.531 838 HG2 PRO 110 1HG PRO 110 11.522 17.138 6.882 839 HG3 PRO 110 2HG PRO 110 9.776 17.087 7.214 840 HD2 PRO 110 1HD PRO 110 11.558 15.716 8.731 841 HD3 PRO 110 2HD PRO 110 9.934 15.072 8.402 842 H GLY 111 H GLY 111 11.917 14.492 3.207 843 HA2 GLY 111 1HA GLY 111 14.497 15.718 3.176 844 HA3 GLY 111 2HA GLY 111 14.631 13.958 3.142 845 H GLU 112 H GLU 112 12.822 16.569 1.611 846 HA GLU 112 HA GLU 112 12.538 15.017 -0.868 847 HB2 GLU 112 1HB GLU 112 10.760 16.602 -1.508 848 HB3 GLU 112 2HB GLU 112 10.418 15.811 0.020 849 HG2 GLU 112 1HG GLU 112 11.406 18.670 -0.302 850 HG3 GLU 112 2HG GLU 112 9.738 18.189 -0.015 851 HA PRO 113 HA PRO 113 15.941 17.491 -2.598 852 HB2 PRO 113 1HB PRO 113 14.909 16.251 -5.149 853 HB3 PRO 113 2HB PRO 113 16.563 16.314 -4.513 854 HG2 PRO 113 1HG PRO 113 15.171 14.050 -4.368 855 HG3 PRO 113 2HG PRO 113 16.191 14.561 -3.005 856 HD2 PRO 113 1HD PRO 113 13.194 14.774 -3.315 857 HD3 PRO 113 2HD PRO 113 14.149 14.286 -1.896 858 H VAL 114 H VAL 114 15.507 19.616 -2.683 859 HA VAL 114 HA VAL 114 13.352 20.826 -4.122 860 HB VAL 114 HB VAL 114 14.275 21.977 -2.186 861 HG11 VAL 114 1HG1 VAL 114 16.604 21.196 -2.270 862 HG12 VAL 114 2HG1 VAL 114 16.545 22.951 -2.122 863 HG13 VAL 114 3HG1 VAL 114 16.912 22.216 -3.682 864 HG21 VAL 114 3HG2 VAL 114 13.285 23.426 -3.915 865 HG22 VAL 114 1HG2 VAL 114 14.854 23.581 -4.716 866 HG23 VAL 114 2HG2 VAL 114 14.608 24.264 -3.108 867 H ASP 115 H ASP 115 13.390 21.864 -6.117 868 HA ASP 115 HA ASP 115 14.962 20.496 -8.088 869 HB2 ASP 115 1HB ASP 115 12.825 22.651 -8.392 870 HB3 ASP 115 2HB ASP 115 13.546 21.775 -9.739 871 H LEU 116 H LEU 116 15.921 23.149 -6.348 872 HA LEU 116 HA LEU 116 16.605 25.009 -8.350 873 HB2 LEU 116 1HB LEU 116 17.952 26.153 -6.672 874 HB3 LEU 116 2HB LEU 116 16.379 25.699 -6.063 875 HG LEU 116 HG LEU 116 17.647 23.691 -4.920 876 HD11 LEU 116 1HD1 LEU 116 19.989 24.181 -4.284 877 HD12 LEU 116 2HD1 LEU 116 19.986 25.582 -5.360 878 HD13 LEU 116 3HD1 LEU 116 19.824 23.957 -6.025 879 HD21 LEU 116 3HD2 LEU 116 16.577 25.524 -3.666 880 HD22 LEU 116 1HD2 LEU 116 18.010 26.535 -3.896 881 HD23 LEU 116 2HD2 LEU 116 18.106 25.066 -2.925 882 H GLU 117 H GLU 117 18.397 22.211 -7.097 883 HA GLU 117 HA GLU 117 20.804 22.727 -8.563 884 HB2 GLU 117 1HB GLU 117 20.719 21.131 -6.639 885 HB3 GLU 117 2HB GLU 117 19.716 20.048 -7.595 886 HG2 GLU 117 1HG GLU 117 21.596 19.795 -9.228 887 HG3 GLU 117 2HG GLU 117 22.597 20.817 -8.200 888 H ARG 118 H ARG 118 17.816 21.002 -9.227 889 HA ARG 118 HA ARG 118 18.495 19.648 -11.585 890 HB2 ARG 118 1HB ARG 118 16.546 19.116 -10.154 891 HB3 ARG 118 2HB ARG 118 15.768 20.617 -10.612 892 HG2 ARG 118 1HG ARG 118 16.451 18.697 -12.818 893 HG3 ARG 118 2HG ARG 118 15.149 18.236 -11.725 894 HD2 ARG 118 1HD ARG 118 15.242 20.851 -13.269 895 HD3 ARG 118 2HD ARG 118 14.382 19.406 -13.808 896 HE ARG 118 HE ARG 118 13.336 19.813 -11.344 897 HH11 ARG 118 1HH1 ARG 118 13.739 21.998 -14.063 898 HH12 ARG 118 2HH1 ARG 118 12.303 22.901 -13.700 899 HH21 ARG 118 1HH2 ARG 118 11.432 20.972 -10.916 900 HH22 ARG 118 2HH2 ARG 118 10.992 22.320 -11.923 901 H ILE 119 H ILE 119 17.891 23.026 -11.073 902 HA ILE 119 HA ILE 119 17.078 23.692 -13.767 903 HB ILE 119 HB ILE 119 18.165 25.570 -11.610 904 HG12 ILE 119 1HG1 ILE 119 16.211 24.395 -10.700 905 HG13 ILE 119 2HG1 ILE 119 15.790 26.067 -11.026 906 HG21 ILE 119 1HG2 ILE 119 16.945 27.360 -12.826 907 HG22 ILE 119 2HG2 ILE 119 16.475 26.192 -14.063 908 HG23 ILE 119 3HG2 ILE 119 18.176 26.601 -13.842 909 HD11 ILE 119 3HD1 ILE 119 13.974 24.591 -11.628 910 HD12 ILE 119 1HD1 ILE 119 15.032 23.678 -12.707 911 HD13 ILE 119 2HD1 ILE 119 14.634 25.357 -13.072 912 H ILE 120 H ILE 120 20.051 23.459 -11.936 913 HA ILE 120 HA ILE 120 21.747 24.720 -13.930 914 HB ILE 120 HB ILE 120 22.306 23.383 -11.238 915 HG12 ILE 120 1HG1 ILE 120 23.163 25.678 -10.622 916 HG13 ILE 120 2HG1 ILE 120 22.679 26.260 -12.204 917 HG21 ILE 120 1HG2 ILE 120 24.701 23.991 -11.450 918 HG22 ILE 120 2HG2 ILE 120 24.421 24.497 -13.120 919 HG23 ILE 120 3HG2 ILE 120 24.214 22.807 -12.662 920 HD11 ILE 120 3HD1 ILE 120 20.354 25.862 -11.629 921 HD12 ILE 120 1HD1 ILE 120 21.146 26.925 -10.464 922 HD13 ILE 120 2HD1 ILE 120 20.855 25.236 -10.056 923 H ARG 121 H ARG 121 20.646 21.501 -13.108 924 HA ARG 121 HA ARG 121 22.743 19.959 -14.195 925 HB2 ARG 121 1HB ARG 121 19.816 19.204 -13.857 926 HB3 ARG 121 2HB ARG 121 21.109 18.071 -14.242 927 HG2 ARG 121 1HG ARG 121 20.844 19.688 -11.691 928 HG3 ARG 121 2HG ARG 121 20.550 17.958 -11.870 929 HD2 ARG 121 1HD ARG 121 23.220 19.375 -12.207 930 HD3 ARG 121 2HD ARG 121 22.738 18.375 -10.832 931 HE ARG 121 HE ARG 121 22.456 16.687 -12.940 932 HH11 ARG 121 1HH1 ARG 121 25.176 18.648 -11.848 933 HH12 ARG 121 2HH1 ARG 121 26.362 17.564 -12.499 934 HH21 ARG 121 1HH2 ARG 121 24.018 15.294 -13.785 935 HH22 ARG 121 2HH2 ARG 121 25.704 15.668 -13.599 936 H HIS 122 H HIS 122 23.356 20.784 -16.133 937 HA HIS 122 HA HIS 122 22.284 19.617 -18.487 938 HB2 HIS 122 1HB HIS 122 21.949 21.809 -19.770 939 HB3 HIS 122 2HB HIS 122 20.713 21.460 -18.572 940 HD1 HIS 122 HD1 HIS 122 19.962 23.744 -17.909 941 HD2 HIS 122 HD2 HIS 122 24.099 23.442 -17.896 942 HE1 HIS 122 HE1 HIS 122 20.793 25.917 -16.984 943 HE2 HIS 122 HE2 HIS 122 23.295 25.772 -17.154 944 H GLU 123 H GLU 123 23.660 20.540 -20.465 945 HA GLU 123 HA GLU 123 26.299 21.532 -19.750 946 HB2 GLU 123 1HB GLU 123 26.478 19.082 -19.303 947 HB3 GLU 123 2HB GLU 123 25.977 18.744 -20.958 948 HG2 GLU 123 1HG GLU 123 28.016 19.829 -21.811 949 HG3 GLU 123 2HG GLU 123 28.510 20.230 -20.167 950 H GLY 124 H GLY 124 26.651 23.034 -21.249 951 HA2 GLY 124 1HA GLY 124 26.845 22.496 -24.029 952 HA3 GLY 124 2HA GLY 124 25.349 23.369 -23.700 953 H SER 125 H SER 125 25.630 25.311 -22.238 954 HA SER 125 HA SER 125 28.153 26.659 -22.114 955 HB2 SER 125 1HB SER 125 27.515 27.079 -24.518 956 HB3 SER 125 2HB SER 125 26.038 27.867 -23.970 957 HG SER 125 HG SER 125 28.092 28.964 -22.676 Start of MODEL 2 1 H1 GLN 1 1H GLN 1 -4.527 2.855 -11.792 2 H2 GLN 1 2H GLN 1 -5.123 4.302 -12.428 3 H3 GLN 1 3H GLN 1 -5.546 2.831 -13.140 4 HA GLN 1 HA GLN 1 -7.347 3.735 -11.836 5 HB2 GLN 1 1HB GLN 1 -6.136 1.203 -10.628 6 HB3 GLN 1 2HB GLN 1 -7.791 1.741 -10.371 7 HG2 GLN 1 1HG GLN 1 -7.966 0.066 -12.003 8 HG3 GLN 1 2HG GLN 1 -8.106 1.571 -12.905 9 HE21 GLN 1 2HE2 GLN 1 -6.044 -1.156 -12.165 10 HE22 GLN 1 1HE2 GLN 1 -4.978 -0.968 -13.515 11 H GLY 2 H GLY 2 -8.225 4.170 -9.715 12 HA2 GLY 2 1HA GLY 2 -8.007 4.758 -7.404 13 HA3 GLY 2 2HA GLY 2 -6.287 5.044 -7.654 14 H HIS 3 H HIS 3 -8.327 6.880 -6.533 15 HA HIS 3 HA HIS 3 -7.991 9.144 -8.431 16 HB2 HIS 3 1HB HIS 3 -10.458 8.517 -6.753 17 HB3 HIS 3 2HB HIS 3 -10.191 10.058 -7.555 18 HD1 HIS 3 HD1 HIS 3 -11.514 6.687 -8.126 19 HD2 HIS 3 HD2 HIS 3 -10.215 9.882 -10.442 20 HE1 HIS 3 HE1 HIS 3 -12.420 6.258 -10.426 21 HE2 HIS 3 HE2 HIS 3 -11.833 8.339 -11.727 22 H MET 4 H MET 4 -9.301 8.895 -5.106 23 HA MET 4 HA MET 4 -7.871 11.245 -4.282 24 HB2 MET 4 1HB MET 4 -10.139 10.782 -3.447 25 HB3 MET 4 2HB MET 4 -9.585 9.298 -2.689 26 HG2 MET 4 1HG MET 4 -8.178 10.606 -1.149 27 HG3 MET 4 2HG MET 4 -8.714 12.096 -1.926 28 HE1 MET 4 3HE MET 4 -11.627 9.327 0.374 29 HE2 MET 4 1HE MET 4 -9.940 8.908 0.077 30 HE3 MET 4 2HE MET 4 -11.082 8.989 -1.267 31 H PHE 5 H PHE 5 -5.750 11.101 -3.994 32 HA PHE 5 HA PHE 5 -4.591 8.911 -2.372 33 HB2 PHE 5 1HB PHE 5 -4.027 8.538 -4.751 34 HB3 PHE 5 2HB PHE 5 -3.406 10.179 -4.889 35 HD1 PHE 5 HD1 PHE 5 -2.875 7.273 -2.535 36 HD2 PHE 5 HD2 PHE 5 -1.056 10.245 -5.014 37 HE1 PHE 5 HE1 PHE 5 -0.650 6.431 -1.918 38 HE2 PHE 5 HE2 PHE 5 1.163 9.393 -4.397 39 HZ PHE 5 HZ PHE 5 1.371 7.482 -2.852 40 H GLU 6 H GLU 6 -3.156 9.535 -0.869 41 HA GLU 6 HA GLU 6 -1.867 12.124 -0.868 42 HB2 GLU 6 1HB GLU 6 -2.672 12.793 1.368 43 HB3 GLU 6 2HB GLU 6 -4.016 12.676 0.240 44 HG2 GLU 6 1HG GLU 6 -4.706 10.541 1.210 45 HG3 GLU 6 2HG GLU 6 -3.295 10.530 2.268 46 HA PRO 7 HA PRO 7 1.328 9.710 1.307 47 HB2 PRO 7 1HB PRO 7 1.759 12.295 2.803 48 HB3 PRO 7 2HB PRO 7 2.944 11.240 2.016 49 HG2 PRO 7 1HG PRO 7 2.225 13.498 0.820 50 HG3 PRO 7 2HG PRO 7 2.383 12.007 -0.143 51 HD2 PRO 7 1HD PRO 7 -0.129 13.330 0.905 52 HD3 PRO 7 2HD PRO 7 0.184 12.623 -0.698 53 H GLY 8 H GLY 8 -0.028 8.324 2.421 54 HA2 GLY 8 1HA GLY 8 -0.124 7.880 5.000 55 HA3 GLY 8 2HA GLY 8 -1.346 9.142 4.928 56 H HIS 9 H HIS 9 -2.446 8.399 2.361 57 HA HIS 9 HA HIS 9 -3.633 5.756 2.701 58 HB2 HIS 9 1HB HIS 9 -4.958 6.962 4.322 59 HB3 HIS 9 2HB HIS 9 -5.173 8.328 3.236 60 HD1 HIS 9 HD1 HIS 9 -7.214 8.311 1.807 61 HD2 HIS 9 HD2 HIS 9 -6.494 4.598 3.523 62 HE1 HIS 9 HE1 HIS 9 -9.185 6.906 1.196 63 HE2 HIS 9 HE2 HIS 9 -8.837 4.749 2.440 64 H LEU 10 H LEU 10 -4.540 4.973 0.843 65 HA LEU 10 HA LEU 10 -5.156 6.769 -1.430 66 HB2 LEU 10 1HB LEU 10 -3.166 5.492 -2.004 67 HB3 LEU 10 2HB LEU 10 -3.873 4.006 -1.400 68 HG LEU 10 HG LEU 10 -5.477 3.972 -3.298 69 HD11 LEU 10 1HD1 LEU 10 -5.258 5.513 -5.195 70 HD12 LEU 10 2HD1 LEU 10 -4.054 6.455 -4.312 71 HD13 LEU 10 3HD1 LEU 10 -5.718 6.371 -3.725 72 HD21 LEU 10 3HD2 LEU 10 -3.333 2.793 -3.525 73 HD22 LEU 10 1HD2 LEU 10 -2.585 4.248 -4.196 74 HD23 LEU 10 2HD2 LEU 10 -3.875 3.423 -5.077 75 H HIS 11 H HIS 11 -7.281 6.594 -2.092 76 HA HIS 11 HA HIS 11 -8.861 4.207 -1.362 77 HB2 HIS 11 1HB HIS 11 -9.888 6.485 -0.994 78 HB3 HIS 11 2HB HIS 11 -9.793 6.790 -2.722 79 HD1 HIS 11 HD1 HIS 11 -12.479 7.129 -2.286 80 HD2 HIS 11 HD2 HIS 11 -11.067 3.220 -2.127 81 HE1 HIS 11 HE1 HIS 11 -14.508 5.671 -2.474 82 HE2 HIS 11 HE2 HIS 11 -13.653 3.334 -2.117 83 H LEU 12 H LEU 12 -8.862 2.610 -2.786 84 HA LEU 12 HA LEU 12 -7.839 3.016 -5.511 85 HB2 LEU 12 1HB LEU 12 -6.873 1.366 -3.717 86 HB3 LEU 12 2HB LEU 12 -8.248 0.362 -4.090 87 HG LEU 12 HG LEU 12 -6.168 -0.365 -5.211 88 HD11 LEU 12 1HD1 LEU 12 -7.033 -0.724 -7.455 89 HD12 LEU 12 2HD1 LEU 12 -8.263 0.520 -7.198 90 HD13 LEU 12 3HD1 LEU 12 -8.290 -0.961 -6.239 91 HD21 LEU 12 3HD2 LEU 12 -6.324 2.244 -6.752 92 HD22 LEU 12 1HD2 LEU 12 -5.181 0.926 -7.043 93 HD23 LEU 12 2HD2 LEU 12 -5.119 1.828 -5.530 94 H VAL 13 H VAL 13 -9.427 3.408 -6.880 95 HA VAL 13 HA VAL 13 -11.690 1.534 -7.179 96 HB VAL 13 HB VAL 13 -11.860 4.596 -7.283 97 HG11 VAL 13 1HG1 VAL 13 -14.225 4.353 -8.014 98 HG12 VAL 13 2HG1 VAL 13 -13.979 2.613 -8.201 99 HG13 VAL 13 3HG1 VAL 13 -13.089 3.748 -9.219 100 HG21 VAL 13 3HG2 VAL 13 -13.448 2.605 -5.614 101 HG22 VAL 13 1HG2 VAL 13 -13.650 4.361 -5.597 102 HG23 VAL 13 2HG2 VAL 13 -12.148 3.639 -5.024 103 H SER 14 H SER 14 -12.134 1.098 -9.468 104 HA SER 14 HA SER 14 -9.852 1.754 -11.193 105 HB2 SER 14 1HB SER 14 -10.543 -0.629 -11.080 106 HB3 SER 14 2HB SER 14 -12.168 -0.197 -11.606 107 HG SER 14 HG SER 14 -11.460 0.113 -13.613 108 H LEU 15 H LEU 15 -10.296 2.627 -13.356 109 HA LEU 15 HA LEU 15 -12.226 4.754 -13.271 110 HB2 LEU 15 1HB LEU 15 -10.532 3.839 -15.610 111 HB3 LEU 15 2HB LEU 15 -11.417 5.351 -15.510 112 HG LEU 15 HG LEU 15 -8.968 4.552 -13.892 113 HD11 LEU 15 1HD1 LEU 15 -7.918 6.480 -14.993 114 HD12 LEU 15 2HD1 LEU 15 -9.399 6.769 -15.913 115 HD13 LEU 15 3HD1 LEU 15 -8.475 5.285 -16.165 116 HD21 LEU 15 3HD2 LEU 15 -10.631 7.080 -13.590 117 HD22 LEU 15 1HD2 LEU 15 -9.076 6.766 -12.811 118 HD23 LEU 15 2HD2 LEU 15 -10.478 5.784 -12.402 119 HA PRO 16 HA PRO 16 -15.387 1.862 -14.772 120 HB2 PRO 16 1HB PRO 16 -17.558 3.502 -14.480 121 HB3 PRO 16 2HB PRO 16 -16.756 2.730 -13.105 122 HG2 PRO 16 1HG PRO 16 -16.443 5.543 -14.155 123 HG3 PRO 16 2HG PRO 16 -16.631 4.992 -12.474 124 HD2 PRO 16 1HD PRO 16 -14.213 5.624 -13.553 125 HD3 PRO 16 2HD PRO 16 -14.386 4.379 -12.302 126 H GLY 17 H GLY 17 -14.901 5.117 -16.055 127 HA2 GLY 17 1HA GLY 17 -15.143 6.051 -18.125 128 HA3 GLY 17 2HA GLY 17 -15.221 4.426 -18.787 129 H LEU 18 H LEU 18 -17.213 3.522 -19.260 130 HA LEU 18 HA LEU 18 -19.626 5.218 -19.025 131 HB2 LEU 18 1HB LEU 18 -19.026 2.791 -20.771 132 HB3 LEU 18 2HB LEU 18 -20.612 3.527 -20.654 133 HG LEU 18 HG LEU 18 -19.526 5.699 -21.534 134 HD11 LEU 18 1HD1 LEU 18 -17.272 3.825 -22.316 135 HD12 LEU 18 2HD1 LEU 18 -17.173 5.135 -21.136 136 HD13 LEU 18 3HD1 LEU 18 -17.466 5.506 -22.833 137 HD21 LEU 18 3HD2 LEU 18 -19.709 4.998 -23.877 138 HD22 LEU 18 1HD2 LEU 18 -21.003 4.293 -22.912 139 HD23 LEU 18 2HD2 LEU 18 -19.627 3.299 -23.404 140 H ASP 19 H ASP 19 -18.260 3.476 -16.937 141 HA ASP 19 HA ASP 19 -18.714 2.214 -15.158 142 HB2 ASP 19 1HB ASP 19 -21.566 3.019 -15.824 143 HB3 ASP 19 2HB ASP 19 -21.156 2.097 -14.379 144 H GLN 20 H GLN 20 -17.853 0.340 -15.964 145 HA GLN 20 HA GLN 20 -19.751 -1.718 -16.946 146 HB2 GLN 20 1HB GLN 20 -16.735 -1.670 -17.370 147 HB3 GLN 20 2HB GLN 20 -17.876 -2.825 -18.056 148 HG2 GLN 20 1HG GLN 20 -17.628 0.122 -18.722 149 HG3 GLN 20 2HG GLN 20 -17.206 -1.238 -19.756 150 HE21 GLN 20 2HE2 GLN 20 -19.048 1.005 -20.191 151 HE22 GLN 20 1HE2 GLN 20 -20.578 0.306 -20.580 152 H GLN 21 H GLN 21 -16.903 -1.177 -14.809 153 HA GLN 21 HA GLN 21 -17.981 -3.279 -13.029 154 HB2 GLN 21 1HB GLN 21 -16.022 -4.438 -12.866 155 HB3 GLN 21 2HB GLN 21 -15.649 -3.700 -14.413 156 HG2 GLN 21 1HG GLN 21 -14.315 -1.972 -13.276 157 HG3 GLN 21 2HG GLN 21 -14.723 -2.669 -11.708 158 HE21 GLN 21 2HE2 GLN 21 -13.918 -4.798 -11.215 159 HE22 GLN 21 1HE2 GLN 21 -12.478 -5.382 -11.970 160 H ASP 22 H ASP 22 -17.704 -2.914 -10.777 161 HA ASP 22 HA ASP 22 -16.950 -0.141 -9.997 162 HB2 ASP 22 1HB ASP 22 -19.438 -0.531 -9.996 163 HB3 ASP 22 2HB ASP 22 -19.238 -1.835 -8.864 164 H ILE 23 H ILE 23 -14.937 -0.587 -8.992 165 HA ILE 23 HA ILE 23 -15.088 -2.471 -6.706 166 HB ILE 23 HB ILE 23 -12.777 -3.046 -6.976 167 HG12 ILE 23 1HG1 ILE 23 -11.617 -1.997 -9.241 168 HG13 ILE 23 2HG1 ILE 23 -12.583 -0.614 -8.748 169 HG21 ILE 23 1HG2 ILE 23 -14.317 -4.252 -8.448 170 HG22 ILE 23 2HG2 ILE 23 -12.736 -4.093 -9.210 171 HG23 ILE 23 3HG2 ILE 23 -14.068 -3.059 -9.727 172 HD11 ILE 23 3HD1 ILE 23 -10.315 -0.479 -7.920 173 HD12 ILE 23 1HD1 ILE 23 -10.495 -2.017 -7.077 174 HD13 ILE 23 2HD1 ILE 23 -11.444 -0.614 -6.574 175 H ASN 24 H ASN 24 -14.035 -1.781 -4.789 176 HA ASN 24 HA ASN 24 -13.074 0.933 -4.515 177 HB2 ASN 24 1HB ASN 24 -14.804 1.608 -2.818 178 HB3 ASN 24 2HB ASN 24 -15.438 1.458 -4.451 179 HD21 ASN 24 2HD2 ASN 24 -16.809 -0.318 -4.949 180 HD22 ASN 24 1HD2 ASN 24 -17.633 -1.182 -3.701 181 H ILE 25 H ILE 25 -11.564 0.970 -2.990 182 HA ILE 25 HA ILE 25 -11.325 -1.194 -1.009 183 HB ILE 25 HB ILE 25 -9.092 -0.635 -3.032 184 HG12 ILE 25 1HG1 ILE 25 -10.808 -3.163 -2.835 185 HG13 ILE 25 2HG1 ILE 25 -11.072 -1.892 -4.020 186 HG21 ILE 25 1HG2 ILE 25 -7.948 -2.585 -2.006 187 HG22 ILE 25 2HG2 ILE 25 -9.255 -2.735 -0.827 188 HG23 ILE 25 3HG2 ILE 25 -8.225 -1.302 -0.827 189 HD11 ILE 25 3HD1 ILE 25 -8.853 -2.318 -4.962 190 HD12 ILE 25 1HD1 ILE 25 -9.896 -3.740 -4.994 191 HD13 ILE 25 2HD1 ILE 25 -8.621 -3.616 -3.785 192 H HIS 26 H HIS 26 -10.115 -0.629 0.742 193 HA HIS 26 HA HIS 26 -9.340 2.206 1.051 194 HB2 HIS 26 1HB HIS 26 -9.792 0.209 3.312 195 HB3 HIS 26 2HB HIS 26 -9.839 1.965 3.388 196 HD1 HIS 26 HD1 HIS 26 -12.055 -0.481 4.029 197 HD2 HIS 26 HD2 HIS 26 -12.210 2.550 1.207 198 HE1 HIS 26 HE1 HIS 26 -14.487 -0.154 3.537 199 HE2 HIS 26 HE2 HIS 26 -14.556 1.672 1.805 200 H ILE 27 H ILE 27 -7.102 2.458 0.866 201 HA ILE 27 HA ILE 27 -5.356 0.215 1.753 202 HB ILE 27 HB ILE 27 -4.771 2.292 -0.409 203 HG12 ILE 27 1HG1 ILE 27 -5.324 -0.715 -0.591 204 HG13 ILE 27 2HG1 ILE 27 -6.329 0.578 -1.233 205 HG21 ILE 27 1HG2 ILE 27 -2.648 1.068 -0.793 206 HG22 ILE 27 2HG2 ILE 27 -3.000 0.018 0.580 207 HG23 ILE 27 3HG2 ILE 27 -2.716 1.740 0.836 208 HD11 ILE 27 3HD1 ILE 27 -5.139 -0.530 -3.007 209 HD12 ILE 27 1HD1 ILE 27 -3.589 -0.224 -2.223 210 HD13 ILE 27 2HD1 ILE 27 -4.544 1.123 -2.853 211 H ARG 28 H ARG 28 -4.618 0.666 3.658 212 HA ARG 28 HA ARG 28 -3.731 3.383 4.452 213 HB2 ARG 28 1HB ARG 28 -4.604 0.998 6.164 214 HB3 ARG 28 2HB ARG 28 -3.848 2.437 6.825 215 HG2 ARG 28 1HG ARG 28 -6.210 2.540 7.236 216 HG3 ARG 28 2HG ARG 28 -5.787 3.784 6.064 217 HD2 ARG 28 1HD ARG 28 -7.926 2.590 5.547 218 HD3 ARG 28 2HD ARG 28 -6.729 2.501 4.255 219 HE ARG 28 HE ARG 28 -6.203 0.222 5.041 220 HH11 ARG 28 1HH1 ARG 28 -9.308 1.530 6.048 221 HH12 ARG 28 2HH1 ARG 28 -10.071 -0.028 6.075 222 HH21 ARG 28 1HH2 ARG 28 -7.215 -1.777 5.106 223 HH22 ARG 28 2HH2 ARG 28 -8.887 -1.889 5.543 224 H TYR 29 H TYR 29 -1.509 3.572 4.503 225 HA TYR 29 HA TYR 29 0.081 1.165 5.177 226 HB2 TYR 29 1HB TYR 29 1.857 1.870 3.710 227 HB3 TYR 29 2HB TYR 29 0.371 1.841 2.785 228 HD1 TYR 29 HD2 TYR 29 -0.682 3.998 2.046 229 HD2 TYR 29 HD1 TYR 29 3.111 3.928 4.021 230 HE1 TYR 29 HE2 TYR 29 -0.217 6.278 1.258 231 HE2 TYR 29 HE1 TYR 29 3.567 6.201 3.234 232 HH TYR 29 HH TYR 29 2.855 7.639 1.368 233 H GLU 30 H GLU 30 1.362 1.341 6.906 234 HA GLU 30 HA GLU 30 1.558 3.963 8.303 235 HB2 GLU 30 1HB GLU 30 1.395 1.186 9.577 236 HB3 GLU 30 2HB GLU 30 1.320 2.737 10.414 237 HG2 GLU 30 1HG GLU 30 -0.874 3.193 9.488 238 HG3 GLU 30 2HG GLU 30 -0.783 1.775 8.443 239 H VAL 31 H VAL 31 3.683 4.607 8.171 240 HA VAL 31 HA VAL 31 5.864 2.710 7.980 241 HB VAL 31 HB VAL 31 5.934 5.742 8.387 242 HG11 VAL 31 1HG1 VAL 31 8.042 4.723 9.164 243 HG12 VAL 31 2HG1 VAL 31 8.308 5.622 7.673 244 HG13 VAL 31 3HG1 VAL 31 8.213 3.859 7.632 245 HG21 VAL 31 3HG2 VAL 31 6.453 5.838 5.968 246 HG22 VAL 31 1HG2 VAL 31 4.885 5.087 6.250 247 HG23 VAL 31 2HG2 VAL 31 6.283 4.086 5.849 248 H ARG 32 H ARG 32 6.707 1.699 9.630 249 HA ARG 32 HA ARG 32 6.662 2.719 12.389 250 HB2 ARG 32 1HB ARG 32 4.460 1.511 11.909 251 HB3 ARG 32 2HB ARG 32 5.391 0.056 11.588 252 HG2 ARG 32 1HG ARG 32 6.278 0.342 14.021 253 HG3 ARG 32 2HG ARG 32 4.941 1.475 14.223 254 HD2 ARG 32 1HD ARG 32 3.404 -0.380 13.416 255 HD3 ARG 32 2HD ARG 32 4.808 -1.455 13.516 256 HE ARG 32 HE ARG 32 4.890 -0.934 15.925 257 HH11 ARG 32 1HH1 ARG 32 1.841 -0.329 14.284 258 HH12 ARG 32 2HH1 ARG 32 0.889 -0.530 15.724 259 HH21 ARG 32 1HH2 ARG 32 3.628 -1.192 17.815 260 HH22 ARG 32 2HH2 ARG 32 1.904 -1.015 17.721 261 H GLN 33 H GLN 33 7.878 1.095 13.839 262 HA GLN 33 HA GLN 33 10.062 -0.182 12.315 263 HB2 GLN 33 1HB GLN 33 10.195 0.792 15.194 264 HB3 GLN 33 2HB GLN 33 11.535 0.246 14.195 265 HG2 GLN 33 1HG GLN 33 9.934 2.790 13.788 266 HG3 GLN 33 2HG GLN 33 11.535 2.684 14.511 267 HE21 GLN 33 2HE2 GLN 33 9.733 2.790 11.577 268 HE22 GLN 33 1HE2 GLN 33 11.076 2.800 10.497 269 H ASN 34 H ASN 34 10.040 -2.319 12.336 270 HA ASN 34 HA ASN 34 8.851 -3.878 14.534 271 HB2 ASN 34 1HB ASN 34 8.851 -5.795 13.037 272 HB3 ASN 34 2HB ASN 34 8.136 -4.431 12.187 273 HD21 ASN 34 2HD2 ASN 34 9.978 -3.145 10.882 274 HD22 ASN 34 1HD2 ASN 34 10.979 -4.157 9.916 275 H ALA 35 H ALA 35 10.044 -5.649 15.467 276 HA ALA 35 HA ALA 35 12.772 -5.008 16.097 277 HB1 ALA 35 3HB ALA 35 11.224 -5.971 17.749 278 HB2 ALA 35 1HB ALA 35 12.659 -6.982 17.564 279 HB3 ALA 35 2HB ALA 35 11.134 -7.464 16.813 280 H GLU 36 H GLU 36 11.280 -7.023 13.732 281 HA GLU 36 HA GLU 36 13.289 -9.033 13.462 282 HB2 GLU 36 1HB GLU 36 10.933 -9.466 12.949 283 HB3 GLU 36 2HB GLU 36 10.949 -8.253 11.684 284 HG2 GLU 36 1HG GLU 36 10.989 -10.485 10.737 285 HG3 GLU 36 2HG GLU 36 12.484 -9.630 10.354 286 H SER 37 H SER 37 12.468 -6.132 11.542 287 HA SER 37 HA SER 37 14.963 -6.421 9.966 288 HB2 SER 37 1HB SER 37 12.933 -7.398 8.770 289 HB3 SER 37 2HB SER 37 12.239 -5.779 8.759 290 HG SER 37 HG SER 37 14.491 -5.308 7.738 291 H GLY 38 H GLY 38 13.681 -4.572 12.139 292 HA2 GLY 38 1HA GLY 38 14.244 -2.431 12.802 293 HA3 GLY 38 2HA GLY 38 15.038 -2.178 11.256 294 H ALA 39 H ALA 39 14.058 -0.751 9.926 295 HA ALA 39 HA ALA 39 11.423 0.296 10.487 296 HB1 ALA 39 3HB ALA 39 11.849 1.792 8.592 297 HB2 ALA 39 1HB ALA 39 13.287 0.869 8.151 298 HB3 ALA 39 2HB ALA 39 13.238 1.757 9.677 299 H TYR 40 H TYR 40 9.562 0.070 9.218 300 HA TYR 40 HA TYR 40 9.520 -1.377 6.728 301 HB2 TYR 40 1HB TYR 40 8.364 -3.340 7.307 302 HB3 TYR 40 2HB TYR 40 9.459 -3.178 8.665 303 HD1 TYR 40 HD1 TYR 40 8.441 -1.905 10.791 304 HD2 TYR 40 HD2 TYR 40 6.068 -3.751 7.745 305 HE1 TYR 40 HE1 TYR 40 6.534 -2.024 12.336 306 HE2 TYR 40 HE2 TYR 40 4.177 -3.854 9.287 307 HH TYR 40 HH TYR 40 3.736 -3.883 11.669 308 H VAL 41 H VAL 41 7.036 -1.691 6.080 309 HA VAL 41 HA VAL 41 5.346 0.432 7.267 310 HB VAL 41 HB VAL 41 5.331 -0.179 4.276 311 HG11 VAL 41 1HG1 VAL 41 3.993 1.882 4.088 312 HG12 VAL 41 2HG1 VAL 41 4.083 2.117 5.834 313 HG13 VAL 41 3HG1 VAL 41 3.219 0.728 5.175 314 HG21 VAL 41 3HG2 VAL 41 6.691 2.181 5.620 315 HG22 VAL 41 1HG2 VAL 41 6.485 1.959 3.879 316 HG23 VAL 41 2HG2 VAL 41 7.498 0.846 4.796 317 H HIS 42 H HIS 42 3.368 -0.285 7.832 318 HA HIS 42 HA HIS 42 2.513 -3.015 7.268 319 HB2 HIS 42 1HB HIS 42 2.376 -2.152 9.601 320 HB3 HIS 42 2HB HIS 42 1.326 -0.847 9.078 321 HD1 HIS 42 HD1 HIS 42 1.086 -3.801 10.896 322 HD2 HIS 42 HD2 HIS 42 -1.184 -2.270 7.769 323 HE1 HIS 42 HE1 HIS 42 -1.166 -4.890 11.095 324 HE2 HIS 42 HE2 HIS 42 -2.579 -3.781 9.329 325 H PHE 43 H PHE 43 1.492 -3.236 5.306 326 HA PHE 43 HA PHE 43 -0.291 -1.122 4.291 327 HB2 PHE 43 1HB PHE 43 0.581 -3.724 2.946 328 HB3 PHE 43 2HB PHE 43 -0.214 -2.356 2.172 329 HD1 PHE 43 HD1 PHE 43 1.051 -0.106 2.094 330 HD2 PHE 43 HD2 PHE 43 2.970 -3.806 3.088 331 HE1 PHE 43 HE1 PHE 43 3.246 0.879 1.573 332 HE2 PHE 43 HE2 PHE 43 5.154 -2.803 2.571 333 HZ PHE 43 HZ PHE 43 5.300 -0.465 1.812 334 H ASP 44 H ASP 44 -2.489 -1.346 4.407 335 HA ASP 44 HA ASP 44 -3.686 -3.886 5.316 336 HB2 ASP 44 1HB ASP 44 -3.115 -2.385 7.280 337 HB3 ASP 44 2HB ASP 44 -4.181 -1.156 6.608 338 H MET 45 H MET 45 -5.599 -4.296 4.309 339 HA MET 45 HA MET 45 -6.864 -2.224 2.630 340 HB2 MET 45 1HB MET 45 -5.954 -4.983 1.690 341 HB3 MET 45 2HB MET 45 -6.970 -3.902 0.744 342 HG2 MET 45 1HG MET 45 -5.158 -2.284 0.579 343 HG3 MET 45 2HG MET 45 -4.142 -3.265 1.636 344 HE1 MET 45 3HE MET 45 -6.535 -4.653 -1.227 345 HE2 MET 45 1HE MET 45 -5.428 -4.679 -2.596 346 HE3 MET 45 2HE MET 45 -5.942 -3.138 -1.911 347 H ASP 46 H ASP 46 -9.071 -2.427 2.382 348 HA ASP 46 HA ASP 46 -10.431 -4.930 2.480 349 HB2 ASP 46 1HB ASP 46 -11.786 -4.792 4.414 350 HB3 ASP 46 2HB ASP 46 -10.209 -4.308 5.007 351 H GLY 47 H GLY 47 -12.803 -4.642 2.106 352 HA2 GLY 47 1HA GLY 47 -14.408 -2.600 1.643 353 HA3 GLY 47 2HA GLY 47 -13.300 -2.374 0.287 354 H GLU 48 H GLU 48 -14.406 -3.051 -1.482 355 HA GLU 48 HA GLU 48 -15.165 -5.822 -1.731 356 HB2 GLU 48 1HB GLU 48 -17.506 -5.383 -2.495 357 HB3 GLU 48 2HB GLU 48 -17.255 -5.053 -0.783 358 HG2 GLU 48 1HG GLU 48 -17.148 -2.636 -1.257 359 HG3 GLU 48 2HG GLU 48 -17.381 -2.954 -2.974 360 H ILE 49 H ILE 49 -16.411 -5.862 -4.262 361 HA ILE 49 HA ILE 49 -14.837 -4.526 -6.104 362 HB ILE 49 HB ILE 49 -13.880 -7.349 -5.345 363 HG12 ILE 49 1HG1 ILE 49 -12.279 -4.786 -5.834 364 HG13 ILE 49 2HG1 ILE 49 -12.665 -5.455 -4.256 365 HG21 ILE 49 1HG2 ILE 49 -13.366 -5.906 -7.987 366 HG22 ILE 49 2HG2 ILE 49 -14.299 -7.382 -7.762 367 HG23 ILE 49 3HG2 ILE 49 -12.559 -7.393 -7.476 368 HD11 ILE 49 3HD1 ILE 49 -10.907 -6.732 -6.341 369 HD12 ILE 49 1HD1 ILE 49 -11.311 -7.427 -4.766 370 HD13 ILE 49 2HD1 ILE 49 -10.385 -5.928 -4.860 371 H ASP 50 H ASP 50 -16.697 -4.382 -7.330 372 HA ASP 50 HA ASP 50 -18.641 -4.860 -8.364 373 HB2 ASP 50 1HB ASP 50 -17.145 -7.462 -8.881 374 HB3 ASP 50 2HB ASP 50 -18.663 -7.045 -9.674 375 H GLY 51 H GLY 51 -18.835 -5.060 -5.676 376 HA2 GLY 51 1HA GLY 51 -20.552 -5.623 -4.225 377 HA3 GLY 51 2HA GLY 51 -21.012 -6.959 -5.262 378 H LYS 52 H LYS 52 -18.064 -7.887 -5.205 379 HA LYS 52 HA LYS 52 -18.394 -9.770 -3.073 380 HB2 LYS 52 1HB LYS 52 -16.028 -9.346 -4.946 381 HB3 LYS 52 2HB LYS 52 -16.376 -10.804 -4.020 382 HG2 LYS 52 1HG LYS 52 -18.332 -11.276 -5.389 383 HG3 LYS 52 2HG LYS 52 -18.177 -9.724 -6.221 384 HD2 LYS 52 1HD LYS 52 -15.980 -10.472 -7.158 385 HD3 LYS 52 2HD LYS 52 -16.189 -12.032 -6.358 386 HE2 LYS 52 1HE LYS 52 -17.997 -10.885 -8.512 387 HE3 LYS 52 2HE LYS 52 -16.795 -12.156 -8.744 388 HZ1 LYS 52 3HZ LYS 52 -19.232 -12.323 -7.046 389 HZ2 LYS 52 1HZ LYS 52 -18.057 -13.536 -7.164 390 HZ3 LYS 52 2HZ LYS 52 -18.977 -13.109 -8.516 391 HA PRO 53 HA PRO 53 -15.938 -7.027 -0.290 392 HB2 PRO 53 1HB PRO 53 -16.742 -8.018 2.079 393 HB3 PRO 53 2HB PRO 53 -17.840 -7.077 1.059 394 HG2 PRO 53 1HG PRO 53 -17.648 -10.075 1.372 395 HG3 PRO 53 2HG PRO 53 -19.096 -9.043 1.356 396 HD2 PRO 53 1HD PRO 53 -18.172 -10.436 -0.856 397 HD3 PRO 53 2HD PRO 53 -19.152 -8.960 -0.959 398 H PHE 54 H PHE 54 -13.998 -7.202 0.898 399 HA PHE 54 HA PHE 54 -12.983 -9.771 1.818 400 HB2 PHE 54 1HB PHE 54 -10.968 -9.850 0.518 401 HB3 PHE 54 2HB PHE 54 -12.273 -9.617 -0.631 402 HD1 PHE 54 HD1 PHE 54 -12.767 -6.973 -1.157 403 HD2 PHE 54 HD2 PHE 54 -9.024 -8.593 0.156 404 HE1 PHE 54 HE1 PHE 54 -11.582 -5.039 -2.113 405 HE2 PHE 54 HE2 PHE 54 -7.854 -6.653 -0.802 406 HZ PHE 54 HZ PHE 54 -9.129 -4.875 -1.935 407 H SER 55 H SER 55 -11.103 -9.577 3.174 408 HA SER 55 HA SER 55 -10.033 -6.893 3.750 409 HB2 SER 55 1HB SER 55 -10.063 -7.413 6.213 410 HB3 SER 55 2HB SER 55 -11.680 -7.279 5.527 411 HG SER 55 HG SER 55 -10.267 -9.667 6.142 412 H ASP 56 H ASP 56 -7.893 -6.985 3.433 413 HA ASP 56 HA ASP 56 -6.309 -9.369 4.160 414 HB2 ASP 56 1HB ASP 56 -6.894 -9.493 1.697 415 HB3 ASP 56 2HB ASP 56 -6.096 -7.945 1.459 416 H SER 57 H SER 57 -4.107 -8.873 4.649 417 HA SER 57 HA SER 57 -3.115 -6.154 4.350 418 HB2 SER 57 1HB SER 57 -2.526 -5.954 6.789 419 HB3 SER 57 2HB SER 57 -4.267 -5.970 6.509 420 HG SER 57 HG SER 57 -2.620 -8.021 7.533 421 H PHE 58 H PHE 58 -0.945 -6.099 4.137 422 HA PHE 58 HA PHE 58 0.716 -8.436 4.813 423 HB2 PHE 58 1HB PHE 58 1.869 -8.331 2.618 424 HB3 PHE 58 2HB PHE 58 0.173 -8.739 2.435 425 HD1 PHE 58 HD2 PHE 58 -1.440 -6.994 1.541 426 HD2 PHE 58 HD1 PHE 58 2.793 -6.361 1.548 427 HE1 PHE 58 HE2 PHE 58 -1.696 -5.187 -0.111 428 HE2 PHE 58 HE1 PHE 58 2.525 -4.561 -0.102 429 HZ PHE 58 HZ PHE 58 0.284 -3.969 -0.932 430 H GLU 59 H GLU 59 2.891 -7.883 5.281 431 HA GLU 59 HA GLU 59 3.429 -4.987 5.646 432 HB2 GLU 59 1HB GLU 59 3.927 -7.254 7.631 433 HB3 GLU 59 2HB GLU 59 4.537 -5.612 7.838 434 HG2 GLU 59 1HG GLU 59 2.304 -4.721 8.025 435 HG3 GLU 59 2HG GLU 59 1.592 -6.257 7.564 436 H LEU 60 H LEU 60 5.316 -4.351 4.782 437 HA LEU 60 HA LEU 60 7.305 -6.408 4.007 438 HB2 LEU 60 1HB LEU 60 6.472 -3.956 2.409 439 HB3 LEU 60 2HB LEU 60 7.768 -5.056 1.968 440 HG LEU 60 HG LEU 60 4.793 -5.741 2.064 441 HD11 LEU 60 1HD1 LEU 60 6.657 -5.479 -0.318 442 HD12 LEU 60 2HD1 LEU 60 5.372 -4.355 0.125 443 HD13 LEU 60 3HD1 LEU 60 4.967 -5.995 -0.375 444 HD21 LEU 60 3HD2 LEU 60 5.434 -7.934 1.131 445 HD22 LEU 60 1HD2 LEU 60 6.109 -7.690 2.741 446 HD23 LEU 60 2HD2 LEU 60 7.140 -7.522 1.316 447 HA PRO 61 HA PRO 61 10.208 -3.884 6.402 448 HB2 PRO 61 1HB PRO 61 12.519 -4.794 5.110 449 HB3 PRO 61 2HB PRO 61 11.716 -5.616 6.451 450 HG2 PRO 61 1HG PRO 61 11.436 -6.114 3.491 451 HG3 PRO 61 2HG PRO 61 11.638 -7.289 4.812 452 HD2 PRO 61 1HD PRO 61 9.224 -6.862 3.774 453 HD3 PRO 61 2HD PRO 61 9.403 -7.039 5.538 454 H ARG 62 H ARG 62 11.665 -2.152 6.084 455 HA ARG 62 HA ARG 62 11.369 -0.203 4.235 456 HB2 ARG 62 1HB ARG 62 13.729 0.521 4.845 457 HB3 ARG 62 2HB ARG 62 12.690 0.161 6.218 458 HG2 ARG 62 1HG ARG 62 13.744 -2.071 6.432 459 HG3 ARG 62 2HG ARG 62 14.808 -1.695 5.078 460 HD2 ARG 62 1HD ARG 62 15.878 0.086 6.364 461 HD3 ARG 62 2HD ARG 62 14.733 -0.149 7.689 462 HE ARG 62 HE ARG 62 15.740 -2.249 8.180 463 HH11 ARG 62 1HH1 ARG 62 17.551 -0.435 5.763 464 HH12 ARG 62 2HH1 ARG 62 19.013 -1.329 6.024 465 HH21 ARG 62 1HH2 ARG 62 17.663 -3.403 8.495 466 HH22 ARG 62 2HH2 ARG 62 19.069 -3.011 7.550 467 H ASP 63 H ASP 63 13.441 -3.033 3.873 468 HA ASP 63 HA ASP 63 14.861 -2.349 1.541 469 HB2 ASP 63 1HB ASP 63 14.157 -5.093 2.686 470 HB3 ASP 63 2HB ASP 63 15.371 -4.797 1.447 471 H THR 64 H THR 64 11.598 -3.546 1.936 472 HA THR 64 HA THR 64 11.300 -4.036 -0.968 473 HB THR 64 HB THR 64 9.850 -5.993 -0.504 474 HG1 THR 64 HG1 THR 64 9.150 -6.309 1.446 475 HG21 THR 64 3HG2 THR 64 12.574 -6.307 0.820 476 HG22 THR 64 1HG2 THR 64 12.250 -6.450 -0.910 477 HG23 THR 64 2HG2 THR 64 11.561 -7.619 0.216 478 H ALA 65 H ALA 65 10.477 -1.931 1.242 479 HA ALA 65 HA ALA 65 7.627 -1.939 1.390 480 HB1 ALA 65 3HB ALA 65 9.050 -0.706 2.989 481 HB2 ALA 65 1HB ALA 65 7.869 0.367 2.232 482 HB3 ALA 65 2HB ALA 65 9.555 0.393 1.703 483 H PHE 66 H PHE 66 9.919 -0.470 -0.817 484 HA PHE 66 HA PHE 66 8.164 0.868 -2.551 485 HB2 PHE 66 1HB PHE 66 10.817 -0.426 -3.338 486 HB3 PHE 66 2HB PHE 66 10.028 0.935 -4.127 487 HD1 PHE 66 HD1 PHE 66 11.973 -0.127 -1.152 488 HD2 PHE 66 HD2 PHE 66 10.243 3.194 -3.217 489 HE1 PHE 66 HE1 PHE 66 13.275 1.423 0.244 490 HE2 PHE 66 HE2 PHE 66 11.550 4.731 -1.820 491 HZ PHE 66 HZ PHE 66 13.065 3.854 -0.088 492 H ASN 67 H ASN 67 8.836 -2.537 -2.208 493 HA ASN 67 HA ASN 67 8.062 -3.371 -4.876 494 HB2 ASN 67 1HB ASN 67 8.629 -4.909 -2.308 495 HB3 ASN 67 2HB ASN 67 8.146 -5.703 -3.798 496 HD21 ASN 67 2HD2 ASN 67 9.651 -6.008 -5.385 497 HD22 ASN 67 1HD2 ASN 67 11.321 -5.602 -5.231 498 H PHE 68 H PHE 68 6.298 -2.189 -2.362 499 HA PHE 68 HA PHE 68 4.181 -4.005 -1.999 500 HB2 PHE 68 1HB PHE 68 3.243 -2.413 -0.595 501 HB3 PHE 68 2HB PHE 68 4.893 -1.813 -0.639 502 HD1 PHE 68 HD1 PHE 68 5.402 0.051 -2.470 503 HD2 PHE 68 HD2 PHE 68 1.463 -0.937 -1.100 504 HE1 PHE 68 HE1 PHE 68 4.551 2.193 -3.327 505 HE2 PHE 68 HE2 PHE 68 0.633 1.210 -1.959 506 HZ PHE 68 HZ PHE 68 2.173 2.770 -3.075 507 H ALA 69 H ALA 69 4.776 -2.130 -4.858 508 HA ALA 69 HA ALA 69 2.126 -0.925 -5.029 509 HB1 ALA 69 3HB ALA 69 4.107 0.335 -5.796 510 HB2 ALA 69 1HB ALA 69 2.964 0.083 -7.112 511 HB3 ALA 69 2HB ALA 69 4.430 -0.897 -7.018 512 H SER 70 H SER 70 4.042 -3.403 -6.580 513 HA SER 70 HA SER 70 2.113 -4.335 -8.464 514 HB2 SER 70 1HB SER 70 3.652 -6.375 -8.532 515 HB3 SER 70 2HB SER 70 4.452 -4.836 -8.846 516 HG SER 70 HG SER 70 4.349 -6.001 -6.259 517 H ASP 71 H ASP 71 2.791 -4.973 -5.093 518 HA ASP 71 HA ASP 71 1.411 -7.470 -4.860 519 HB2 ASP 71 1HB ASP 71 2.449 -5.499 -2.781 520 HB3 ASP 71 2HB ASP 71 1.690 -7.032 -2.356 521 H ALA 72 H ALA 72 0.640 -4.214 -3.586 522 HA ALA 72 HA ALA 72 -1.849 -4.655 -2.486 523 HB1 ALA 72 3HB ALA 72 -0.547 -2.589 -2.158 524 HB2 ALA 72 1HB ALA 72 -2.202 -2.222 -2.647 525 HB3 ALA 72 2HB ALA 72 -0.885 -2.096 -3.816 526 H THR 73 H THR 73 -1.098 -3.739 -5.847 527 HA THR 73 HA THR 73 -3.774 -3.604 -6.788 528 HB THR 73 HB THR 73 -1.172 -4.122 -8.302 529 HG1 THR 73 HG1 THR 73 -2.589 -1.761 -7.578 530 HG21 THR 73 3HG2 THR 73 -2.366 -3.274 -10.308 531 HG22 THR 73 1HG2 THR 73 -3.867 -3.175 -9.379 532 HG23 THR 73 2HG2 THR 73 -3.129 -4.744 -9.701 533 H ARG 74 H ARG 74 -1.288 -6.171 -7.011 534 HA ARG 74 HA ARG 74 -2.749 -8.172 -8.260 535 HB2 ARG 74 1HB ARG 74 -0.298 -8.207 -7.906 536 HB3 ARG 74 2HB ARG 74 -0.547 -8.513 -6.191 537 HG2 ARG 74 1HG ARG 74 -1.521 -10.706 -6.696 538 HG3 ARG 74 2HG ARG 74 -1.368 -10.401 -8.429 539 HD2 ARG 74 1HD ARG 74 0.456 -11.845 -7.625 540 HD3 ARG 74 2HD ARG 74 1.086 -10.303 -8.206 541 HE ARG 74 HE ARG 74 0.704 -10.955 -5.338 542 HH11 ARG 74 1HH1 ARG 74 2.658 -9.421 -7.840 543 HH12 ARG 74 2HH1 ARG 74 3.891 -8.930 -6.722 544 HH21 ARG 74 1HH2 ARG 74 2.323 -10.316 -3.920 545 HH22 ARG 74 2HH2 ARG 74 3.695 -9.425 -4.506 546 H VAL 75 H VAL 75 -2.719 -7.354 -4.806 547 HA VAL 75 HA VAL 75 -4.050 -9.574 -3.706 548 HB VAL 75 HB VAL 75 -4.081 -6.642 -2.831 549 HG11 VAL 75 1HG1 VAL 75 -4.939 -7.417 -0.621 550 HG12 VAL 75 2HG1 VAL 75 -5.157 -9.039 -1.284 551 HG13 VAL 75 3HG1 VAL 75 -6.101 -7.691 -1.918 552 HG21 VAL 75 3HG2 VAL 75 -2.514 -7.378 -1.070 553 HG22 VAL 75 1HG2 VAL 75 -1.876 -7.715 -2.678 554 HG23 VAL 75 2HG2 VAL 75 -2.554 -9.023 -1.712 555 H ALA 76 H ALA 76 -5.263 -6.562 -5.153 556 HA ALA 76 HA ALA 76 -8.026 -7.016 -4.703 557 HB1 ALA 76 3HB ALA 76 -8.282 -5.075 -6.181 558 HB2 ALA 76 1HB ALA 76 -6.590 -5.204 -6.673 559 HB3 ALA 76 2HB ALA 76 -6.997 -4.792 -5.006 560 H GLN 77 H GLN 77 -5.802 -7.527 -7.440 561 HA GLN 77 HA GLN 77 -7.667 -8.233 -9.409 562 HB2 GLN 77 1HB GLN 77 -4.778 -9.174 -9.196 563 HB3 GLN 77 2HB GLN 77 -5.780 -9.255 -10.641 564 HG2 GLN 77 1HG GLN 77 -4.639 -6.799 -9.298 565 HG3 GLN 77 2HG GLN 77 -4.290 -7.419 -10.905 566 HE21 GLN 77 2HE2 GLN 77 -5.896 -7.148 -12.554 567 HE22 GLN 77 1HE2 GLN 77 -7.081 -5.897 -12.428 568 H LYS 78 H LYS 78 -5.978 -10.200 -7.015 569 HA LYS 78 HA LYS 78 -6.770 -12.776 -7.784 570 HB2 LYS 78 1HB LYS 78 -6.091 -11.608 -5.061 571 HB3 LYS 78 2HB LYS 78 -6.397 -13.325 -5.303 572 HG2 LYS 78 1HG LYS 78 -4.465 -13.495 -6.802 573 HG3 LYS 78 2HG LYS 78 -4.190 -11.756 -6.682 574 HD2 LYS 78 1HD LYS 78 -2.627 -13.008 -5.231 575 HD3 LYS 78 2HD LYS 78 -3.690 -11.968 -4.283 576 HE2 LYS 78 1HE LYS 78 -5.111 -13.939 -3.744 577 HE3 LYS 78 2HE LYS 78 -4.015 -14.966 -4.667 578 HZ1 LYS 78 3HZ LYS 78 -3.278 -13.392 -2.261 579 HZ2 LYS 78 1HZ LYS 78 -2.256 -14.437 -3.122 580 HZ3 LYS 78 2HZ LYS 78 -3.592 -15.054 -2.287 581 H HIS 79 H HIS 79 -8.545 -10.270 -6.073 582 HA HIS 79 HA HIS 79 -10.644 -12.113 -5.198 583 HB2 HIS 79 1HB HIS 79 -9.711 -10.302 -3.667 584 HB3 HIS 79 2HB HIS 79 -10.499 -9.115 -4.702 585 HD1 HIS 79 HD1 HIS 79 -11.485 -12.226 -2.737 586 HD2 HIS 79 HD2 HIS 79 -13.037 -8.523 -3.799 587 HE1 HIS 79 HE1 HIS 79 -13.743 -12.118 -1.666 588 HE2 HIS 79 HE2 HIS 79 -14.613 -9.822 -2.220 589 H GLY 80 H GLY 80 -10.178 -11.302 -8.140 590 HA2 GLY 80 1HA GLY 80 -11.761 -11.683 -9.792 591 HA3 GLY 80 2HA GLY 80 -13.045 -11.165 -8.704 592 H LEU 81 H LEU 81 -10.031 -9.685 -9.834 593 HA LEU 81 HA LEU 81 -11.538 -7.394 -10.944 594 HB2 LEU 81 1HB LEU 81 -10.436 -7.173 -8.504 595 HB3 LEU 81 2HB LEU 81 -8.958 -6.953 -9.414 596 HG LEU 81 HG LEU 81 -11.422 -5.173 -9.506 597 HD11 LEU 81 1HD1 LEU 81 -10.128 -4.939 -7.455 598 HD12 LEU 81 2HD1 LEU 81 -9.972 -3.492 -8.451 599 HD13 LEU 81 3HD1 LEU 81 -8.653 -4.667 -8.386 600 HD21 LEU 81 3HD2 LEU 81 -8.825 -4.872 -11.036 601 HD22 LEU 81 1HD2 LEU 81 -10.088 -3.639 -10.919 602 HD23 LEU 81 2HD2 LEU 81 -10.424 -5.176 -11.716 603 H HIS 82 H HIS 82 -10.888 -6.972 -12.925 604 HA HIS 82 HA HIS 82 -8.261 -6.821 -13.904 605 HB2 HIS 82 1HB HIS 82 -8.375 -9.318 -13.910 606 HB3 HIS 82 2HB HIS 82 -9.830 -9.258 -14.893 607 HD1 HIS 82 HD1 HIS 82 -6.102 -8.850 -15.090 608 HD2 HIS 82 HD2 HIS 82 -9.384 -8.824 -17.652 609 HE1 HIS 82 HE1 HIS 82 -5.155 -9.001 -17.409 610 HE2 HIS 82 HE2 HIS 82 -7.153 -9.003 -18.944 611 HA PRO 83 HA PRO 83 -11.499 -4.255 -16.012 612 HB2 PRO 83 1HB PRO 83 -9.040 -2.657 -16.688 613 HB3 PRO 83 2HB PRO 83 -10.599 -2.110 -16.048 614 HG2 PRO 83 1HG PRO 83 -8.482 -2.242 -14.433 615 HG3 PRO 83 2HG PRO 83 -10.073 -2.783 -13.844 616 HD2 PRO 83 1HD PRO 83 -7.757 -4.454 -14.859 617 HD3 PRO 83 2HD PRO 83 -8.775 -4.701 -13.421 618 H LYS 84 H LYS 84 -11.916 -5.842 -17.535 619 HA LYS 84 HA LYS 84 -10.178 -6.430 -19.764 620 HB2 LYS 84 1HB LYS 84 -11.713 -8.112 -18.757 621 HB3 LYS 84 2HB LYS 84 -13.098 -7.157 -19.267 622 HG2 LYS 84 1HG LYS 84 -12.674 -7.605 -21.589 623 HG3 LYS 84 2HG LYS 84 -11.095 -8.312 -21.235 624 HD2 LYS 84 1HD LYS 84 -13.779 -9.485 -20.371 625 HD3 LYS 84 2HD LYS 84 -12.825 -10.039 -21.749 626 HE2 LYS 84 1HE LYS 84 -10.977 -10.651 -20.206 627 HE3 LYS 84 2HE LYS 84 -11.965 -10.142 -18.832 628 HZ1 LYS 84 3HZ LYS 84 -12.021 -12.544 -19.195 629 HZ2 LYS 84 1HZ LYS 84 -12.666 -12.311 -20.740 630 HZ3 LYS 84 2HZ LYS 84 -13.557 -11.859 -19.376 631 H PHE 85 H PHE 85 -12.984 -4.380 -19.168 632 HA PHE 85 HA PHE 85 -13.140 -3.231 -21.793 633 HB2 PHE 85 1HB PHE 85 -14.645 -1.607 -20.816 634 HB3 PHE 85 2HB PHE 85 -15.017 -3.164 -20.095 635 HD1 PHE 85 HD1 PHE 85 -14.015 -3.653 -17.730 636 HD2 PHE 85 HD2 PHE 85 -14.200 0.275 -19.416 637 HE1 PHE 85 HE1 PHE 85 -13.782 -2.670 -15.490 638 HE2 PHE 85 HE2 PHE 85 -13.966 1.242 -17.172 639 HZ PHE 85 HZ PHE 85 -13.756 -0.225 -15.203 640 H GLY 86 H GLY 86 -11.030 -2.881 -19.125 641 HA2 GLY 86 1HA GLY 86 -10.277 -0.161 -19.252 642 HA3 GLY 86 2HA GLY 86 -9.402 -1.450 -18.454 643 H ALA 87 H ALA 87 -9.987 0.060 -21.571 644 HA ALA 87 HA ALA 87 -7.588 -0.909 -22.856 645 HB1 ALA 87 3HB ALA 87 -9.598 -0.338 -24.168 646 HB2 ALA 87 1HB ALA 87 -8.222 0.649 -24.666 647 HB3 ALA 87 2HB ALA 87 -9.483 1.343 -23.642 648 H ILE 88 H ILE 88 -8.370 1.541 -20.640 649 HA ILE 88 HA ILE 88 -6.435 3.504 -20.905 650 HB ILE 88 HB ILE 88 -6.591 3.651 -18.335 651 HG12 ILE 88 1HG1 ILE 88 -8.725 1.480 -18.674 652 HG13 ILE 88 2HG1 ILE 88 -7.151 1.211 -17.942 653 HG21 ILE 88 1HG2 ILE 88 -8.896 4.541 -18.343 654 HG22 ILE 88 2HG2 ILE 88 -9.197 3.750 -19.893 655 HG23 ILE 88 3HG2 ILE 88 -7.999 5.040 -19.779 656 HD11 ILE 88 3HD1 ILE 88 -7.735 2.752 -16.126 657 HD12 ILE 88 1HD1 ILE 88 -8.882 1.419 -16.267 658 HD13 ILE 88 2HD1 ILE 88 -9.315 3.018 -16.868 659 H THR 89 H THR 89 -4.370 2.874 -21.498 660 HA THR 89 HA THR 89 -2.854 1.047 -19.727 661 HB THR 89 HB THR 89 -2.810 0.465 -22.140 662 HG1 THR 89 HG1 THR 89 -0.985 0.015 -20.787 663 HG21 THR 89 3HG2 THR 89 -1.593 1.852 -23.771 664 HG22 THR 89 1HG2 THR 89 -1.353 3.107 -22.552 665 HG23 THR 89 2HG2 THR 89 -2.978 2.735 -23.131 666 H ARG 90 H ARG 90 -3.168 4.378 -20.694 667 HA ARG 90 HA ARG 90 -0.524 5.181 -19.721 668 HB2 ARG 90 1HB ARG 90 -2.789 6.727 -21.053 669 HB3 ARG 90 2HB ARG 90 -1.287 7.479 -20.519 670 HG2 ARG 90 1HG ARG 90 -1.524 5.289 -22.618 671 HG3 ARG 90 2HG ARG 90 -1.225 7.002 -22.932 672 HD2 ARG 90 1HD ARG 90 0.919 6.885 -21.766 673 HD3 ARG 90 2HD ARG 90 0.606 5.211 -21.294 674 HE ARG 90 HE ARG 90 0.530 5.485 -24.125 675 HH11 ARG 90 1HH1 ARG 90 2.859 5.401 -21.476 676 HH12 ARG 90 2HH1 ARG 90 4.126 4.726 -22.451 677 HH21 ARG 90 1HH2 ARG 90 2.210 4.582 -25.383 678 HH22 ARG 90 2HH2 ARG 90 3.753 4.251 -24.658 679 H VAL 91 H VAL 91 -2.762 4.183 -17.955 680 HA VAL 91 HA VAL 91 -3.216 6.448 -16.150 681 HB VAL 91 HB VAL 91 -4.696 4.787 -14.905 682 HG11 VAL 91 1HG1 VAL 91 -6.517 4.924 -16.588 683 HG12 VAL 91 2HG1 VAL 91 -5.332 5.344 -17.827 684 HG13 VAL 91 3HG1 VAL 91 -5.612 6.434 -16.465 685 HG21 VAL 91 3HG2 VAL 91 -3.688 2.661 -15.706 686 HG22 VAL 91 1HG2 VAL 91 -4.201 3.021 -17.357 687 HG23 VAL 91 2HG2 VAL 91 -5.405 2.716 -16.100 688 H HIS 92 H HIS 92 -0.821 6.423 -15.913 689 HA HIS 92 HA HIS 92 0.547 4.390 -14.532 690 HB2 HIS 92 1HB HIS 92 2.343 6.002 -14.158 691 HB3 HIS 92 2HB HIS 92 1.728 6.159 -15.794 692 HD1 HIS 92 HD1 HIS 92 3.402 8.382 -14.487 693 HD2 HIS 92 HD2 HIS 92 -0.755 8.350 -14.485 694 HE1 HIS 92 HE1 HIS 92 2.705 10.774 -14.183 695 HE2 HIS 92 HE2 HIS 92 0.198 10.701 -14.026 696 H LYS 93 H LYS 93 0.784 3.916 -12.413 697 HA LYS 93 HA LYS 93 -1.181 4.909 -10.547 698 HB2 LYS 93 1HB LYS 93 -0.493 2.498 -10.914 699 HB3 LYS 93 2HB LYS 93 1.043 2.865 -10.145 700 HG2 LYS 93 1HG LYS 93 -0.015 3.190 -8.007 701 HG3 LYS 93 2HG LYS 93 -1.626 3.182 -8.729 702 HD2 LYS 93 1HD LYS 93 -1.122 1.018 -7.599 703 HD3 LYS 93 2HD LYS 93 -1.404 0.811 -9.327 704 HE2 LYS 93 1HE LYS 93 1.166 0.897 -9.585 705 HE3 LYS 93 2HE LYS 93 1.229 0.695 -7.835 706 HZ1 LYS 93 3HZ LYS 93 1.431 -1.406 -8.999 707 HZ2 LYS 93 1HZ LYS 93 -0.063 -1.168 -9.750 708 HZ3 LYS 93 2HZ LYS 93 0.017 -1.377 -8.076 709 H GLU 94 H GLU 94 1.695 6.160 -11.462 710 HA GLU 94 HA GLU 94 3.071 7.763 -10.762 711 HB2 GLU 94 1HB GLU 94 0.927 8.216 -8.645 712 HB3 GLU 94 2HB GLU 94 2.264 9.324 -8.955 713 HG2 GLU 94 1HG GLU 94 1.448 9.657 -11.270 714 HG3 GLU 94 2HG GLU 94 0.107 8.557 -10.957 715 H TYR 95 H TYR 95 3.631 5.207 -10.065 716 HA TYR 95 HA TYR 95 4.416 4.684 -7.451 717 HB2 TYR 95 1HB TYR 95 4.296 2.914 -9.105 718 HB3 TYR 95 2HB TYR 95 5.507 3.697 -10.116 719 HD1 TYR 95 HD2 TYR 95 5.224 2.480 -6.552 720 HD2 TYR 95 HD1 TYR 95 7.653 2.702 -10.065 721 HE1 TYR 95 HE2 TYR 95 6.990 1.202 -5.419 722 HE2 TYR 95 HE1 TYR 95 9.419 1.425 -8.924 723 HH TYR 95 HH TYR 95 8.894 -0.221 -5.980 724 H ASP 96 H ASP 96 6.189 6.364 -10.071 725 HA ASP 96 HA ASP 96 8.624 6.826 -8.903 726 HB2 ASP 96 1HB ASP 96 6.983 8.746 -10.605 727 HB3 ASP 96 2HB ASP 96 8.704 8.937 -10.270 728 H ALA 97 H ALA 97 5.643 8.733 -8.373 729 HA ALA 97 HA ALA 97 6.827 10.709 -6.660 730 HB1 ALA 97 3HB ALA 97 4.492 11.385 -6.187 731 HB2 ALA 97 1HB ALA 97 3.904 9.927 -6.990 732 HB3 ALA 97 2HB ALA 97 4.758 11.162 -7.917 733 H MET 98 H MET 98 4.770 7.866 -6.053 734 HA MET 98 HA MET 98 4.728 7.878 -3.261 735 HB2 MET 98 1HB MET 98 3.228 6.523 -4.664 736 HB3 MET 98 2HB MET 98 4.580 5.532 -5.197 737 HG2 MET 98 1HG MET 98 3.213 4.400 -3.508 738 HG3 MET 98 2HG MET 98 4.867 4.649 -2.944 739 HE1 MET 98 3HE MET 98 2.442 3.896 -0.930 740 HE2 MET 98 1HE MET 98 2.875 4.976 0.390 741 HE3 MET 98 2HE MET 98 4.137 4.114 -0.486 742 H PHE 99 H PHE 99 7.013 6.403 -5.452 743 HA PHE 99 HA PHE 99 8.732 4.974 -3.811 744 HB2 PHE 99 1HB PHE 99 8.854 5.126 -6.358 745 HB3 PHE 99 2HB PHE 99 9.675 6.665 -6.182 746 HD1 PHE 99 HD1 PHE 99 12.005 6.711 -5.137 747 HD2 PHE 99 HD2 PHE 99 10.034 3.040 -6.130 748 HE1 PHE 99 HE1 PHE 99 14.151 5.517 -5.025 749 HE2 PHE 99 HE2 PHE 99 12.190 1.861 -6.016 750 HZ PHE 99 HZ PHE 99 14.250 3.093 -5.460 751 H GLU 100 H GLU 100 8.802 8.424 -4.600 752 HA GLU 100 HA GLU 100 11.098 9.051 -3.034 753 HB2 GLU 100 1HB GLU 100 8.976 10.846 -4.222 754 HB3 GLU 100 2HB GLU 100 10.438 11.423 -3.426 755 HG2 GLU 100 1HG GLU 100 10.358 9.708 -5.928 756 HG3 GLU 100 2HG GLU 100 10.650 11.447 -5.880 757 H ASP 101 H ASP 101 7.664 8.961 -2.344 758 HA ASP 101 HA ASP 101 7.752 10.325 0.156 759 HB2 ASP 101 1HB ASP 101 5.611 10.007 -0.985 760 HB3 ASP 101 2HB ASP 101 5.783 8.254 -0.903 761 H ILE 102 H ILE 102 7.668 6.829 -0.617 762 HA ILE 102 HA ILE 102 8.022 5.745 1.909 763 HB ILE 102 HB ILE 102 9.065 4.631 -0.737 764 HG12 ILE 102 1HG1 ILE 102 6.422 4.021 0.678 765 HG13 ILE 102 2HG1 ILE 102 6.587 5.116 -0.690 766 HG21 ILE 102 1HG2 ILE 102 8.538 3.138 1.866 767 HG22 ILE 102 2HG2 ILE 102 10.119 3.462 1.155 768 HG23 ILE 102 3HG2 ILE 102 8.986 2.397 0.327 769 HD11 ILE 102 3HD1 ILE 102 5.740 2.962 -1.389 770 HD12 ILE 102 1HD1 ILE 102 7.153 2.147 -0.720 771 HD13 ILE 102 2HD1 ILE 102 7.330 3.243 -2.094 772 H ARG 103 H ARG 103 10.516 6.665 -0.440 773 HA ARG 103 HA ARG 103 12.755 5.762 1.080 774 HB2 ARG 103 1HB ARG 103 14.192 6.779 -0.539 775 HB3 ARG 103 2HB ARG 103 12.807 6.136 -1.390 776 HG2 ARG 103 1HG ARG 103 12.958 8.104 -2.500 777 HG3 ARG 103 2HG ARG 103 11.959 8.664 -1.160 778 HD2 ARG 103 1HD ARG 103 13.881 9.614 -0.043 779 HD3 ARG 103 2HD ARG 103 14.981 8.878 -1.216 780 HE ARG 103 HE ARG 103 13.147 10.493 -2.608 781 HH11 ARG 103 1HH1 ARG 103 15.896 10.880 -0.455 782 HH12 ARG 103 2HH1 ARG 103 16.290 12.459 -1.053 783 HH21 ARG 103 1HH2 ARG 103 13.693 12.547 -3.403 784 HH22 ARG 103 2HH2 ARG 103 15.042 13.401 -2.715 785 H ALA 104 H ALA 104 10.895 8.686 1.165 786 HA ALA 104 HA ALA 104 12.701 10.250 2.779 787 HB1 ALA 104 3HB ALA 104 9.743 10.640 2.223 788 HB2 ALA 104 1HB ALA 104 11.069 11.310 1.271 789 HB3 ALA 104 2HB ALA 104 10.833 11.830 2.939 790 H LYS 105 H LYS 105 9.526 8.620 3.494 791 HA LYS 105 HA LYS 105 9.491 9.280 6.201 792 HB2 LYS 105 1HB LYS 105 7.994 6.993 4.856 793 HB3 LYS 105 2HB LYS 105 7.550 7.797 6.357 794 HG2 LYS 105 1HG LYS 105 7.445 8.936 3.546 795 HG3 LYS 105 2HG LYS 105 6.087 8.600 4.625 796 HD2 LYS 105 1HD LYS 105 8.237 10.709 5.112 797 HD3 LYS 105 2HD LYS 105 6.635 11.029 4.452 798 HE2 LYS 105 1HE LYS 105 7.192 9.875 7.206 799 HE3 LYS 105 2HE LYS 105 6.782 11.558 6.864 800 HZ1 LYS 105 3HZ LYS 105 5.052 9.188 6.425 801 HZ2 LYS 105 1HZ LYS 105 4.661 10.758 5.922 802 HZ3 LYS 105 2HZ LYS 105 4.833 10.415 7.568 803 H LEU 106 H LEU 106 10.522 6.263 4.639 804 HA LEU 106 HA LEU 106 11.212 4.917 7.039 805 HB2 LEU 106 1HB LEU 106 12.041 4.497 4.155 806 HB3 LEU 106 2HB LEU 106 12.739 3.519 5.431 807 HG LEU 106 HG LEU 106 10.902 2.335 4.298 808 HD11 LEU 106 1HD1 LEU 106 11.311 1.791 6.630 809 HD12 LEU 106 2HD1 LEU 106 9.598 1.643 6.253 810 HD13 LEU 106 3HD1 LEU 106 10.184 3.044 7.155 811 HD21 LEU 106 3HD2 LEU 106 9.526 4.248 3.615 812 HD22 LEU 106 1HD2 LEU 106 9.051 4.523 5.292 813 HD23 LEU 106 2HD2 LEU 106 8.572 3.041 4.460 814 H HIS 107 H HIS 107 12.887 7.302 5.150 815 HA HIS 107 HA HIS 107 15.416 7.208 6.578 816 HB2 HIS 107 1HB HIS 107 15.142 8.138 4.256 817 HB3 HIS 107 2HB HIS 107 14.191 9.456 4.909 818 HD1 HIS 107 HD1 HIS 107 17.688 8.277 4.425 819 HD2 HIS 107 HD2 HIS 107 15.733 11.474 6.234 820 HE1 HIS 107 HE1 HIS 107 19.455 10.027 4.812 821 HE2 HIS 107 HE2 HIS 107 18.263 11.919 5.971 822 H ALA 108 H ALA 108 12.272 8.441 7.143 823 HA ALA 108 HA ALA 108 11.186 9.227 8.941 824 HB1 ALA 108 3HB ALA 108 13.839 9.279 10.411 825 HB2 ALA 108 1HB ALA 108 12.741 7.898 10.335 826 HB3 ALA 108 2HB ALA 108 12.232 9.385 11.136 827 H HIS 109 H HIS 109 12.842 10.894 6.964 828 HA HIS 109 HA HIS 109 12.199 13.541 8.021 829 HB2 HIS 109 1HB HIS 109 15.019 12.873 7.019 830 HB3 HIS 109 2HB HIS 109 14.450 14.458 7.514 831 HD1 HIS 109 HD1 HIS 109 15.764 11.244 8.851 832 HD2 HIS 109 HD2 HIS 109 14.254 14.824 10.344 833 HE1 HIS 109 HE1 HIS 109 16.319 11.241 11.293 834 HE2 HIS 109 HE2 HIS 109 15.303 13.358 12.202 835 HA PRO 110 HA PRO 110 10.685 13.952 3.813 836 HB2 PRO 110 1HB PRO 110 11.787 16.763 3.847 837 HB3 PRO 110 2HB PRO 110 10.162 16.197 3.421 838 HG2 PRO 110 1HG PRO 110 10.581 17.343 5.790 839 HG3 PRO 110 2HG PRO 110 9.533 15.911 5.676 840 HD2 PRO 110 1HD PRO 110 12.394 16.098 6.637 841 HD3 PRO 110 2HD PRO 110 11.043 15.144 7.292 842 H GLY 111 H GLY 111 11.412 13.674 1.726 843 HA2 GLY 111 1HA GLY 111 14.021 12.678 1.425 844 HA3 GLY 111 2HA GLY 111 12.857 12.903 0.134 845 H GLU 112 H GLU 112 12.812 15.853 0.863 846 HA GLU 112 HA GLU 112 15.462 16.810 0.113 847 HB2 GLU 112 1HB GLU 112 14.576 18.127 -1.806 848 HB3 GLU 112 2HB GLU 112 14.410 16.394 -2.075 849 HG2 GLU 112 1HG GLU 112 12.007 16.569 -1.391 850 HG3 GLU 112 2HG GLU 112 12.200 18.315 -1.264 851 HA PRO 113 HA PRO 113 14.114 20.315 2.711 852 HB2 PRO 113 1HB PRO 113 15.736 22.052 0.871 853 HB3 PRO 113 2HB PRO 113 15.852 21.864 2.627 854 HG2 PRO 113 1HG PRO 113 17.713 20.790 1.036 855 HG3 PRO 113 2HG PRO 113 17.133 19.906 2.467 856 HD2 PRO 113 1HD PRO 113 16.348 19.536 -0.432 857 HD3 PRO 113 2HD PRO 113 16.756 18.304 0.789 858 H VAL 114 H VAL 114 12.580 22.014 2.573 859 HA VAL 114 HA VAL 114 10.796 21.881 0.346 860 HB VAL 114 HB VAL 114 10.087 22.288 2.751 861 HG11 VAL 114 1HG1 VAL 114 10.972 25.154 2.272 862 HG12 VAL 114 2HG1 VAL 114 11.740 24.007 3.371 863 HG13 VAL 114 3HG1 VAL 114 10.092 24.552 3.680 864 HG21 VAL 114 3HG2 VAL 114 8.490 22.583 0.925 865 HG22 VAL 114 1HG2 VAL 114 9.019 24.251 0.690 866 HG23 VAL 114 2HG2 VAL 114 8.193 23.786 2.180 867 H ASP 115 H ASP 115 10.331 23.467 -1.226 868 HA ASP 115 HA ASP 115 12.536 25.392 -1.746 869 HB2 ASP 115 1HB ASP 115 12.292 24.947 -4.112 870 HB3 ASP 115 2HB ASP 115 12.462 23.409 -3.283 871 H LEU 116 H LEU 116 9.871 25.833 -0.353 872 HA LEU 116 HA LEU 116 8.020 27.116 -2.010 873 HB2 LEU 116 1HB LEU 116 7.056 28.084 0.082 874 HB3 LEU 116 2HB LEU 116 7.325 26.357 0.138 875 HG LEU 116 HG LEU 116 9.531 26.971 1.444 876 HD11 LEU 116 1HD1 LEU 116 7.954 29.506 1.956 877 HD12 LEU 116 2HD1 LEU 116 9.501 29.389 1.116 878 HD13 LEU 116 3HD1 LEU 116 9.402 28.990 2.828 879 HD21 LEU 116 3HD2 LEU 116 8.348 26.890 3.589 880 HD22 LEU 116 1HD2 LEU 116 7.648 25.753 2.440 881 HD23 LEU 116 2HD2 LEU 116 6.824 27.276 2.786 882 H GLU 117 H GLU 117 10.869 28.438 -0.395 883 HA GLU 117 HA GLU 117 10.266 31.197 -1.131 884 HB2 GLU 117 1HB GLU 117 11.355 30.516 1.069 885 HB3 GLU 117 2HB GLU 117 12.791 30.074 0.156 886 HG2 GLU 117 1HG GLU 117 12.859 32.499 -0.651 887 HG3 GLU 117 2HG GLU 117 11.606 32.842 0.537 888 H ARG 118 H ARG 118 11.741 28.531 -2.637 889 HA ARG 118 HA ARG 118 13.943 29.932 -3.918 890 HB2 ARG 118 1HB ARG 118 13.989 27.484 -3.130 891 HB3 ARG 118 2HB ARG 118 12.971 27.105 -4.511 892 HG2 ARG 118 1HG ARG 118 15.248 26.587 -5.094 893 HG3 ARG 118 2HG ARG 118 14.773 28.014 -6.018 894 HD2 ARG 118 1HD ARG 118 15.927 29.435 -4.279 895 HD3 ARG 118 2HD ARG 118 16.514 27.943 -3.530 896 HE ARG 118 HE ARG 118 17.118 28.326 -6.365 897 HH11 ARG 118 1HH1 ARG 118 18.350 28.472 -3.070 898 HH12 ARG 118 2HH1 ARG 118 20.005 28.606 -3.573 899 HH21 ARG 118 1HH2 ARG 118 19.292 28.512 -7.005 900 HH22 ARG 118 2HH2 ARG 118 20.541 28.626 -5.803 901 H ILE 119 H ILE 119 10.623 29.378 -4.574 902 HA ILE 119 HA ILE 119 10.790 30.166 -7.386 903 HB ILE 119 HB ILE 119 8.376 29.876 -5.517 904 HG12 ILE 119 1HG1 ILE 119 7.803 27.989 -7.226 905 HG13 ILE 119 2HG1 ILE 119 9.468 28.136 -7.767 906 HG21 ILE 119 1HG2 ILE 119 7.882 31.636 -7.158 907 HG22 ILE 119 2HG2 ILE 119 6.919 30.197 -7.494 908 HG23 ILE 119 3HG2 ILE 119 8.339 30.560 -8.481 909 HD11 ILE 119 3HD1 ILE 119 9.148 26.291 -6.240 910 HD12 ILE 119 1HD1 ILE 119 8.579 27.401 -4.994 911 HD13 ILE 119 2HD1 ILE 119 10.247 27.494 -5.568 912 H ILE 120 H ILE 120 10.287 31.570 -4.222 913 HA ILE 120 HA ILE 120 9.489 34.204 -5.191 914 HB ILE 120 HB ILE 120 10.007 33.336 -2.298 915 HG12 ILE 120 1HG1 ILE 120 7.356 33.147 -3.817 916 HG13 ILE 120 2HG1 ILE 120 8.364 31.773 -3.383 917 HG21 ILE 120 1HG2 ILE 120 8.226 35.549 -3.398 918 HG22 ILE 120 2HG2 ILE 120 9.774 35.779 -2.586 919 HG23 ILE 120 3HG2 ILE 120 8.401 35.128 -1.693 920 HD11 ILE 120 3HD1 ILE 120 6.465 31.981 -1.897 921 HD12 ILE 120 1HD1 ILE 120 6.949 33.616 -1.453 922 HD13 ILE 120 2HD1 ILE 120 7.963 32.242 -1.004 923 H ARG 121 H ARG 121 12.396 32.844 -5.375 924 HA ARG 121 HA ARG 121 14.074 34.819 -4.098 925 HB2 ARG 121 1HB ARG 121 15.975 33.726 -5.209 926 HB3 ARG 121 2HB ARG 121 14.950 32.546 -4.410 927 HG2 ARG 121 1HG ARG 121 14.012 31.852 -6.571 928 HG3 ARG 121 2HG ARG 121 14.963 33.085 -7.399 929 HD2 ARG 121 1HD ARG 121 16.054 30.682 -5.895 930 HD3 ARG 121 2HD ARG 121 16.015 30.896 -7.648 931 HE ARG 121 HE ARG 121 17.520 32.835 -6.022 932 HH11 ARG 121 1HH1 ARG 121 17.618 30.219 -8.359 933 HH12 ARG 121 2HH1 ARG 121 19.311 30.416 -8.683 934 HH21 ARG 121 1HH2 ARG 121 19.734 33.079 -6.458 935 HH22 ARG 121 2HH2 ARG 121 20.511 32.032 -7.606 936 H HIS 122 H HIS 122 13.520 36.836 -4.801 937 HA HIS 122 HA HIS 122 14.584 37.677 -7.354 938 HB2 HIS 122 1HB HIS 122 12.577 38.738 -8.240 939 HB3 HIS 122 2HB HIS 122 12.232 37.038 -7.968 940 HD1 HIS 122 HD1 HIS 122 10.639 40.144 -7.678 941 HD2 HIS 122 HD2 HIS 122 10.849 36.823 -5.196 942 HE1 HIS 122 HE1 HIS 122 8.681 40.339 -6.121 943 HE2 HIS 122 HE2 HIS 122 8.729 38.222 -4.757 944 H GLU 123 H GLU 123 15.441 39.663 -7.188 945 HA GLU 123 HA GLU 123 14.837 41.333 -4.811 946 HB2 GLU 123 1HB GLU 123 17.411 41.197 -6.454 947 HB3 GLU 123 2HB GLU 123 17.145 42.236 -5.056 948 HG2 GLU 123 1HG GLU 123 17.202 39.196 -5.017 949 HG3 GLU 123 2HG GLU 123 18.526 40.257 -4.537 950 H GLY 124 H GLY 124 15.995 41.537 -8.199 951 HA2 GLY 124 1HA GLY 124 14.019 43.124 -9.274 952 HA3 GLY 124 2HA GLY 124 15.163 44.268 -8.578 953 H SER 125 H SER 125 16.218 41.206 -9.896 954 HA SER 125 HA SER 125 17.205 42.466 -12.381 955 HB2 SER 125 1HB SER 125 18.900 40.715 -10.538 956 HB3 SER 125 2HB SER 125 19.412 41.411 -12.075 957 HG SER 125 HG SER 125 18.666 43.480 -10.822 Start of MODEL 3 1 H1 GLN 1 1H GLN 1 -14.591 10.506 -8.272 2 H2 GLN 1 2H GLN 1 -13.461 9.620 -9.165 3 H3 GLN 1 3H GLN 1 -13.061 10.193 -7.631 4 HA GLN 1 HA GLN 1 -14.670 8.778 -6.600 5 HB2 GLN 1 1HB GLN 1 -15.163 7.729 -9.427 6 HB3 GLN 1 2HB GLN 1 -15.865 7.059 -7.955 7 HG2 GLN 1 1HG GLN 1 -17.068 9.205 -7.584 8 HG3 GLN 1 2HG GLN 1 -16.399 9.823 -9.094 9 HE21 GLN 1 2HE2 GLN 1 -18.455 10.107 -10.009 10 HE22 GLN 1 1HE2 GLN 1 -19.440 8.781 -10.516 11 H GLY 2 H GLY 2 -12.718 7.883 -9.442 12 HA2 GLY 2 1HA GLY 2 -12.132 5.240 -8.759 13 HA3 GLY 2 2HA GLY 2 -11.244 6.227 -9.902 14 H HIS 3 H HIS 3 -10.287 8.191 -7.980 15 HA HIS 3 HA HIS 3 -8.381 6.591 -6.391 16 HB2 HIS 3 1HB HIS 3 -7.383 6.907 -8.663 17 HB3 HIS 3 2HB HIS 3 -7.511 8.651 -8.474 18 HD1 HIS 3 HD1 HIS 3 -5.740 9.808 -6.984 19 HD2 HIS 3 HD2 HIS 3 -5.319 5.681 -7.168 20 HE1 HIS 3 HE1 HIS 3 -3.478 9.322 -6.020 21 HE2 HIS 3 HE2 HIS 3 -3.155 6.855 -6.382 22 H MET 4 H MET 4 -8.922 7.388 -4.438 23 HA MET 4 HA MET 4 -8.515 10.295 -3.932 24 HB2 MET 4 1HB MET 4 -10.795 9.257 -3.294 25 HB3 MET 4 2HB MET 4 -9.937 8.299 -2.097 26 HG2 MET 4 1HG MET 4 -10.087 11.326 -2.159 27 HG3 MET 4 2HG MET 4 -11.044 10.278 -1.121 28 HE1 MET 4 3HE MET 4 -8.337 8.915 1.386 29 HE2 MET 4 1HE MET 4 -8.856 8.112 -0.094 30 HE3 MET 4 2HE MET 4 -10.043 8.909 0.936 31 H PHE 5 H PHE 5 -6.681 10.767 -2.736 32 HA PHE 5 HA PHE 5 -5.331 8.585 -1.267 33 HB2 PHE 5 1HB PHE 5 -4.256 8.735 -3.480 34 HB3 PHE 5 2HB PHE 5 -3.989 10.461 -3.263 35 HD1 PHE 5 HD1 PHE 5 -3.230 7.220 -1.493 36 HD2 PHE 5 HD2 PHE 5 -1.832 11.114 -2.571 37 HE1 PHE 5 HE1 PHE 5 -1.052 6.735 -0.454 38 HE2 PHE 5 HE2 PHE 5 0.339 10.610 -1.543 39 HZ PHE 5 HZ PHE 5 0.731 8.428 -0.480 40 H GLU 6 H GLU 6 -4.479 9.155 0.623 41 HA GLU 6 HA GLU 6 -3.860 11.937 1.300 42 HB2 GLU 6 1HB GLU 6 -5.113 11.843 3.407 43 HB3 GLU 6 2HB GLU 6 -6.214 11.521 2.071 44 HG2 GLU 6 1HG GLU 6 -5.946 9.052 2.574 45 HG3 GLU 6 2HG GLU 6 -5.058 9.506 4.024 46 HA PRO 7 HA PRO 7 -0.237 10.062 3.247 47 HB2 PRO 7 1HB PRO 7 -0.696 11.928 5.574 48 HB3 PRO 7 2HB PRO 7 0.760 11.686 4.597 49 HG2 PRO 7 1HG PRO 7 -0.756 13.861 4.251 50 HG3 PRO 7 2HG PRO 7 -0.022 13.039 2.856 51 HD2 PRO 7 1HD PRO 7 -2.874 12.934 3.835 52 HD3 PRO 7 2HD PRO 7 -2.252 13.001 2.168 53 H GLY 8 H GLY 8 -0.855 7.995 3.788 54 HA2 GLY 8 1HA GLY 8 -0.745 6.552 5.770 55 HA3 GLY 8 2HA GLY 8 -1.992 7.543 6.507 56 H HIS 9 H HIS 9 -3.164 7.466 3.507 57 HA HIS 9 HA HIS 9 -4.258 4.776 3.420 58 HB2 HIS 9 1HB HIS 9 -5.635 5.656 5.203 59 HB3 HIS 9 2HB HIS 9 -5.942 7.147 4.326 60 HD1 HIS 9 HD1 HIS 9 -8.023 7.228 2.989 61 HD2 HIS 9 HD2 HIS 9 -7.001 3.331 3.997 62 HE1 HIS 9 HE1 HIS 9 -9.955 5.821 2.254 63 HE2 HIS 9 HE2 HIS 9 -9.441 3.528 3.153 64 H LEU 10 H LEU 10 -4.354 4.314 1.313 65 HA LEU 10 HA LEU 10 -5.281 6.273 -0.685 66 HB2 LEU 10 1HB LEU 10 -3.204 5.130 -1.274 67 HB3 LEU 10 2HB LEU 10 -3.913 3.561 -0.932 68 HG LEU 10 HG LEU 10 -5.406 3.787 -2.905 69 HD11 LEU 10 1HD1 LEU 10 -5.127 5.617 -4.520 70 HD12 LEU 10 2HD1 LEU 10 -3.982 6.416 -3.441 71 HD13 LEU 10 3HD1 LEU 10 -5.668 6.228 -2.957 72 HD21 LEU 10 3HD2 LEU 10 -3.705 3.543 -4.659 73 HD22 LEU 10 1HD2 LEU 10 -3.211 2.697 -3.193 74 HD23 LEU 10 2HD2 LEU 10 -2.484 4.253 -3.601 75 H HIS 11 H HIS 11 -7.442 6.201 -1.111 76 HA HIS 11 HA HIS 11 -8.983 3.723 -0.715 77 HB2 HIS 11 1HB HIS 11 -9.841 5.870 0.280 78 HB3 HIS 11 2HB HIS 11 -9.965 6.547 -1.337 79 HD1 HIS 11 HD1 HIS 11 -12.514 6.894 -0.937 80 HD2 HIS 11 HD2 HIS 11 -11.321 2.917 -0.909 81 HE1 HIS 11 HE1 HIS 11 -14.633 5.555 -0.974 82 HE2 HIS 11 HE2 HIS 11 -13.881 3.168 -1.130 83 H LEU 12 H LEU 12 -9.285 2.447 -2.457 84 HA LEU 12 HA LEU 12 -9.277 3.559 -5.184 85 HB2 LEU 12 1HB LEU 12 -9.320 0.655 -4.254 86 HB3 LEU 12 2HB LEU 12 -9.240 1.189 -5.926 87 HG LEU 12 HG LEU 12 -7.076 1.490 -3.809 88 HD11 LEU 12 1HD1 LEU 12 -7.220 -0.768 -4.756 89 HD12 LEU 12 2HD1 LEU 12 -5.743 0.034 -5.278 90 HD13 LEU 12 3HD1 LEU 12 -7.103 -0.114 -6.392 91 HD21 LEU 12 3HD2 LEU 12 -5.671 2.524 -5.566 92 HD22 LEU 12 1HD2 LEU 12 -7.072 3.518 -5.167 93 HD23 LEU 12 2HD2 LEU 12 -7.062 2.562 -6.652 94 H VAL 13 H VAL 13 -11.107 3.744 -6.272 95 HA VAL 13 HA VAL 13 -13.404 1.943 -5.857 96 HB VAL 13 HB VAL 13 -13.707 4.960 -6.346 97 HG11 VAL 13 1HG1 VAL 13 -16.144 4.631 -6.092 98 HG12 VAL 13 2HG1 VAL 13 -15.896 2.891 -5.912 99 HG13 VAL 13 3HG1 VAL 13 -15.504 3.686 -7.437 100 HG21 VAL 13 3HG2 VAL 13 -14.415 3.435 -3.818 101 HG22 VAL 13 1HG2 VAL 13 -14.753 5.143 -4.121 102 HG23 VAL 13 2HG2 VAL 13 -13.086 4.580 -4.006 103 H SER 14 H SER 14 -14.701 1.925 -8.204 104 HA SER 14 HA SER 14 -12.850 2.499 -10.358 105 HB2 SER 14 1HB SER 14 -15.673 1.345 -10.303 106 HB3 SER 14 2HB SER 14 -14.531 1.262 -11.634 107 HG SER 14 HG SER 14 -14.095 0.153 -9.102 108 H LEU 15 H LEU 15 -13.609 3.881 -12.183 109 HA LEU 15 HA LEU 15 -15.699 5.842 -11.433 110 HB2 LEU 15 1HB LEU 15 -14.424 7.327 -13.222 111 HB3 LEU 15 2HB LEU 15 -13.967 7.274 -11.534 112 HG LEU 15 HG LEU 15 -12.174 5.556 -12.197 113 HD11 LEU 15 1HD1 LEU 15 -12.995 4.908 -14.404 114 HD12 LEU 15 2HD1 LEU 15 -11.364 5.565 -14.510 115 HD13 LEU 15 3HD1 LEU 15 -12.744 6.550 -15.005 116 HD21 LEU 15 3HD2 LEU 15 -10.594 7.319 -12.906 117 HD22 LEU 15 1HD2 LEU 15 -11.633 7.841 -11.580 118 HD23 LEU 15 2HD2 LEU 15 -11.954 8.400 -13.222 119 HA PRO 16 HA PRO 16 -17.935 3.543 -14.654 120 HB2 PRO 16 1HB PRO 16 -20.268 5.058 -14.325 121 HB3 PRO 16 2HB PRO 16 -19.827 3.650 -13.353 122 HG2 PRO 16 1HG PRO 16 -19.333 6.576 -12.751 123 HG3 PRO 16 2HG PRO 16 -20.050 5.327 -11.699 124 HD2 PRO 16 1HD PRO 16 -17.511 5.956 -11.382 125 HD3 PRO 16 2HD PRO 16 -17.956 4.232 -11.405 126 H GLY 17 H GLY 17 -17.570 3.917 -16.726 127 HA2 GLY 17 1HA GLY 17 -18.267 5.526 -18.621 128 HA3 GLY 17 2HA GLY 17 -17.256 6.684 -17.755 129 H LEU 18 H LEU 18 -15.063 5.655 -17.093 130 HA LEU 18 HA LEU 18 -13.810 4.327 -19.422 131 HB2 LEU 18 1HB LEU 18 -12.543 5.823 -17.079 132 HB3 LEU 18 2HB LEU 18 -11.635 5.021 -18.343 133 HG LEU 18 HG LEU 18 -11.579 7.360 -18.825 134 HD11 LEU 18 1HD1 LEU 18 -13.604 6.103 -20.704 135 HD12 LEU 18 2HD1 LEU 18 -11.847 5.958 -20.799 136 HD13 LEU 18 3HD1 LEU 18 -12.609 7.526 -21.035 137 HD21 LEU 18 3HD2 LEU 18 -13.457 8.113 -17.450 138 HD22 LEU 18 1HD2 LEU 18 -14.605 7.468 -18.626 139 HD23 LEU 18 2HD2 LEU 18 -13.535 8.803 -19.069 140 H ASP 19 H ASP 19 -15.452 3.253 -17.037 141 HA ASP 19 HA ASP 19 -13.970 0.828 -16.556 142 HB2 ASP 19 1HB ASP 19 -13.191 2.625 -14.814 143 HB3 ASP 19 2HB ASP 19 -14.795 2.476 -14.112 144 H GLN 20 H GLN 20 -15.449 -0.836 -16.226 145 HA GLN 20 HA GLN 20 -18.310 -0.158 -15.821 146 HB2 GLN 20 1HB GLN 20 -17.145 -2.033 -17.931 147 HB3 GLN 20 2HB GLN 20 -18.845 -2.009 -17.498 148 HG2 GLN 20 1HG GLN 20 -18.693 -0.758 -19.493 149 HG3 GLN 20 2HG GLN 20 -18.880 0.437 -18.215 150 HE21 GLN 20 2HE2 GLN 20 -17.962 2.123 -19.364 151 HE22 GLN 20 1HE2 GLN 20 -16.296 2.179 -19.815 152 H GLN 21 H GLN 21 -16.657 -0.929 -13.742 153 HA GLN 21 HA GLN 21 -17.918 -3.421 -12.865 154 HB2 GLN 21 1HB GLN 21 -15.797 -4.161 -13.972 155 HB3 GLN 21 2HB GLN 21 -14.887 -3.112 -12.894 156 HG2 GLN 21 1HG GLN 21 -15.621 -4.449 -10.965 157 HG3 GLN 21 2HG GLN 21 -16.526 -5.519 -12.039 158 HE21 GLN 21 2HE2 GLN 21 -14.254 -6.035 -10.209 159 HE22 GLN 21 1HE2 GLN 21 -13.044 -6.771 -11.188 160 H ASP 22 H ASP 22 -17.697 -3.703 -10.472 161 HA ASP 22 HA ASP 22 -17.554 -1.045 -9.174 162 HB2 ASP 22 1HB ASP 22 -19.767 -2.296 -9.217 163 HB3 ASP 22 2HB ASP 22 -19.029 -3.529 -8.199 164 H ILE 23 H ILE 23 -15.153 -1.569 -9.217 165 HA ILE 23 HA ILE 23 -14.285 -3.217 -6.925 166 HB ILE 23 HB ILE 23 -12.097 -3.061 -7.615 167 HG12 ILE 23 1HG1 ILE 23 -11.288 -1.317 -9.449 168 HG13 ILE 23 2HG1 ILE 23 -12.609 -0.362 -8.805 169 HG21 ILE 23 1HG2 ILE 23 -13.362 -4.278 -9.259 170 HG22 ILE 23 2HG2 ILE 23 -11.981 -3.490 -10.023 171 HG23 ILE 23 3HG2 ILE 23 -13.596 -2.800 -10.198 172 HD11 ILE 23 3HD1 ILE 23 -11.545 -0.370 -6.601 173 HD12 ILE 23 1HD1 ILE 23 -10.462 0.251 -7.842 174 HD13 ILE 23 2HD1 ILE 23 -10.243 -1.387 -7.227 175 H ASN 24 H ASN 24 -13.791 -2.415 -4.973 176 HA ASN 24 HA ASN 24 -13.121 0.343 -4.558 177 HB2 ASN 24 1HB ASN 24 -14.971 0.827 -2.922 178 HB3 ASN 24 2HB ASN 24 -15.503 0.694 -4.591 179 HD21 ASN 24 2HD2 ASN 24 -16.606 -1.258 -5.244 180 HD22 ASN 24 1HD2 ASN 24 -17.485 -2.180 -4.078 181 H ILE 25 H ILE 25 -11.525 0.277 -3.217 182 HA ILE 25 HA ILE 25 -11.144 -1.991 -1.356 183 HB ILE 25 HB ILE 25 -9.015 -0.799 -3.203 184 HG12 ILE 25 1HG1 ILE 25 -10.359 -3.543 -3.360 185 HG13 ILE 25 2HG1 ILE 25 -10.662 -2.199 -4.454 186 HG21 ILE 25 1HG2 ILE 25 -7.518 -2.599 -2.403 187 HG22 ILE 25 2HG2 ILE 25 -8.763 -3.149 -1.284 188 HG23 ILE 25 3HG2 ILE 25 -8.034 -1.559 -1.075 189 HD11 ILE 25 3HD1 ILE 25 -8.063 -3.701 -4.157 190 HD12 ILE 25 1HD1 ILE 25 -8.340 -2.336 -5.241 191 HD13 ILE 25 2HD1 ILE 25 -9.224 -3.843 -5.473 192 H HIS 26 H HIS 26 -10.119 -1.496 0.557 193 HA HIS 26 HA HIS 26 -9.474 1.328 1.177 194 HB2 HIS 26 1HB HIS 26 -9.782 -0.954 3.185 195 HB3 HIS 26 2HB HIS 26 -9.806 0.775 3.510 196 HD1 HIS 26 HD1 HIS 26 -11.991 -1.311 4.378 197 HD2 HIS 26 HD2 HIS 26 -12.268 1.242 1.124 198 HE1 HIS 26 HE1 HIS 26 -14.439 -1.103 3.903 199 HE2 HIS 26 HE2 HIS 26 -14.559 0.277 1.809 200 H ILE 27 H ILE 27 -7.278 1.660 0.863 201 HA ILE 27 HA ILE 27 -5.378 -0.470 1.695 202 HB ILE 27 HB ILE 27 -4.879 1.839 -0.248 203 HG12 ILE 27 1HG1 ILE 27 -5.117 -1.163 -0.790 204 HG13 ILE 27 2HG1 ILE 27 -6.286 0.064 -1.262 205 HG21 ILE 27 1HG2 ILE 27 -2.652 0.817 -0.641 206 HG22 ILE 27 2HG2 ILE 27 -2.984 -0.396 0.597 207 HG23 ILE 27 3HG2 ILE 27 -2.844 1.306 1.044 208 HD11 ILE 27 3HD1 ILE 27 -4.963 -0.646 -3.149 209 HD12 ILE 27 1HD1 ILE 27 -3.471 -0.221 -2.315 210 HD13 ILE 27 2HD1 ILE 27 -4.614 1.043 -2.782 211 H ARG 28 H ARG 28 -4.780 -0.039 3.721 212 HA ARG 28 HA ARG 28 -4.307 2.775 4.557 213 HB2 ARG 28 1HB ARG 28 -6.238 1.492 5.650 214 HB3 ARG 28 2HB ARG 28 -5.041 0.431 6.374 215 HG2 ARG 28 1HG ARG 28 -4.998 3.427 6.821 216 HG3 ARG 28 2HG ARG 28 -6.013 2.366 7.790 217 HD2 ARG 28 1HD ARG 28 -2.984 2.207 7.584 218 HD3 ARG 28 2HD ARG 28 -3.894 2.892 8.935 219 HE ARG 28 HE ARG 28 -3.791 0.034 8.160 220 HH11 ARG 28 1HH1 ARG 28 -4.615 2.461 10.560 221 HH12 ARG 28 2HH1 ARG 28 -4.830 1.302 11.826 222 HH21 ARG 28 1HH2 ARG 28 -4.105 -1.464 9.811 223 HH22 ARG 28 2HH2 ARG 28 -4.549 -0.927 11.402 224 H TYR 29 H TYR 29 -2.202 3.239 4.861 225 HA TYR 29 HA TYR 29 -0.322 1.071 5.558 226 HB2 TYR 29 1HB TYR 29 1.389 2.031 4.138 227 HB3 TYR 29 2HB TYR 29 -0.045 1.734 3.177 228 HD1 TYR 29 HD2 TYR 29 -1.395 3.688 2.308 229 HD2 TYR 29 HD1 TYR 29 2.283 4.279 4.416 230 HE1 TYR 29 HE2 TYR 29 -1.263 5.995 1.450 231 HE2 TYR 29 HE1 TYR 29 2.407 6.574 3.557 232 HH TYR 29 HH TYR 29 1.550 7.913 1.681 233 H GLU 30 H GLU 30 0.951 1.415 7.272 234 HA GLU 30 HA GLU 30 1.244 4.140 8.396 235 HB2 GLU 30 1HB GLU 30 0.677 1.603 9.997 236 HB3 GLU 30 2HB GLU 30 1.191 3.131 10.709 237 HG2 GLU 30 1HG GLU 30 -0.918 4.155 9.692 238 HG3 GLU 30 2HG GLU 30 -1.438 2.510 9.339 239 H VAL 31 H VAL 31 3.337 4.660 8.464 240 HA VAL 31 HA VAL 31 5.491 2.785 8.313 241 HB VAL 31 HB VAL 31 5.573 5.728 9.138 242 HG11 VAL 31 1HG1 VAL 31 7.813 3.921 8.145 243 HG12 VAL 31 2HG1 VAL 31 7.635 4.553 9.783 244 HG13 VAL 31 3HG1 VAL 31 7.955 5.657 8.445 245 HG21 VAL 31 3HG2 VAL 31 6.166 6.186 6.767 246 HG22 VAL 31 1HG2 VAL 31 4.556 5.479 6.912 247 HG23 VAL 31 2HG2 VAL 31 5.912 4.486 6.376 248 H ARG 32 H ARG 32 6.437 1.687 9.932 249 HA ARG 32 HA ARG 32 6.243 2.482 12.753 250 HB2 ARG 32 1HB ARG 32 4.188 1.094 12.255 251 HB3 ARG 32 2HB ARG 32 5.234 -0.216 11.720 252 HG2 ARG 32 1HG ARG 32 6.229 -0.078 14.153 253 HG3 ARG 32 2HG ARG 32 4.748 0.806 14.527 254 HD2 ARG 32 1HD ARG 32 3.392 -1.093 13.822 255 HD3 ARG 32 2HD ARG 32 4.840 -1.951 13.272 256 HE ARG 32 HE ARG 32 4.815 -1.216 16.085 257 HH11 ARG 32 1HH1 ARG 32 4.180 -3.755 13.744 258 HH12 ARG 32 2HH1 ARG 32 4.186 -5.020 14.934 259 HH21 ARG 32 1HH2 ARG 32 4.841 -2.888 17.633 260 HH22 ARG 32 2HH2 ARG 32 4.554 -4.526 17.137 261 H GLN 33 H GLN 33 7.662 1.028 14.118 262 HA GLN 33 HA GLN 33 9.889 -0.197 12.607 263 HB2 GLN 33 1HB GLN 33 10.029 0.853 15.468 264 HB3 GLN 33 2HB GLN 33 11.376 0.370 14.442 265 HG2 GLN 33 1HG GLN 33 9.621 2.806 14.006 266 HG3 GLN 33 2HG GLN 33 11.203 2.819 14.781 267 HE21 GLN 33 2HE2 GLN 33 9.495 2.726 11.782 268 HE22 GLN 33 1HE2 GLN 33 10.872 2.836 10.748 269 H ASN 34 H ASN 34 9.637 -2.380 12.681 270 HA ASN 34 HA ASN 34 8.793 -3.705 15.192 271 HB2 ASN 34 1HB ASN 34 8.448 -5.770 13.954 272 HB3 ASN 34 2HB ASN 34 7.591 -4.475 13.134 273 HD21 ASN 34 2HD2 ASN 34 10.176 -3.575 11.794 274 HD22 ASN 34 1HD2 ASN 34 10.404 -4.717 10.547 275 H ALA 35 H ALA 35 10.102 -5.274 16.195 276 HA ALA 35 HA ALA 35 12.929 -4.843 16.095 277 HB1 ALA 35 3HB ALA 35 13.038 -6.629 17.801 278 HB2 ALA 35 1HB ALA 35 11.344 -7.026 17.495 279 HB3 ALA 35 2HB ALA 35 11.775 -5.455 18.173 280 H GLU 36 H GLU 36 10.786 -7.055 14.520 281 HA GLU 36 HA GLU 36 12.533 -9.197 13.919 282 HB2 GLU 36 1HB GLU 36 10.118 -9.464 13.856 283 HB3 GLU 36 2HB GLU 36 9.965 -8.225 12.614 284 HG2 GLU 36 1HG GLU 36 11.273 -9.723 11.070 285 HG3 GLU 36 2HG GLU 36 11.193 -10.979 12.301 286 H SER 37 H SER 37 11.476 -6.420 11.911 287 HA SER 37 HA SER 37 13.514 -7.109 9.867 288 HB2 SER 37 1HB SER 37 10.718 -5.981 9.391 289 HB3 SER 37 2HB SER 37 11.894 -6.412 8.147 290 HG SER 37 HG SER 37 10.273 -8.044 9.726 291 H GLY 38 H GLY 38 12.874 -4.825 12.165 292 HA2 GLY 38 1HA GLY 38 14.077 -2.860 12.527 293 HA3 GLY 38 2HA GLY 38 14.563 -2.841 10.835 294 H ALA 39 H ALA 39 13.926 -0.793 10.216 295 HA ALA 39 HA ALA 39 11.345 0.340 10.757 296 HB1 ALA 39 3HB ALA 39 13.366 1.044 8.593 297 HB2 ALA 39 1HB ALA 39 13.289 1.752 10.207 298 HB3 ALA 39 2HB ALA 39 11.974 2.026 9.063 299 H TYR 40 H TYR 40 9.486 0.271 9.459 300 HA TYR 40 HA TYR 40 9.520 -0.781 6.776 301 HB2 TYR 40 1HB TYR 40 8.402 -2.843 7.066 302 HB3 TYR 40 2HB TYR 40 9.590 -2.857 8.357 303 HD1 TYR 40 HD1 TYR 40 8.647 -1.903 10.719 304 HD2 TYR 40 HD2 TYR 40 6.211 -3.509 7.584 305 HE1 TYR 40 HE1 TYR 40 6.869 -2.407 12.341 306 HE2 TYR 40 HE2 TYR 40 4.455 -3.991 9.205 307 HH TYR 40 HH TYR 40 4.279 -4.453 11.613 308 H VAL 41 H VAL 41 7.139 -1.109 6.027 309 HA VAL 41 HA VAL 41 5.266 0.718 7.434 310 HB VAL 41 HB VAL 41 5.317 0.320 4.400 311 HG11 VAL 41 1HG1 VAL 41 3.769 2.252 4.344 312 HG12 VAL 41 2HG1 VAL 41 3.795 2.333 6.107 313 HG13 VAL 41 3HG1 VAL 41 3.104 0.924 5.300 314 HG21 VAL 41 3HG2 VAL 41 6.404 2.700 5.961 315 HG22 VAL 41 1HG2 VAL 41 6.244 2.611 4.202 316 HG23 VAL 41 2HG2 VAL 41 7.360 1.534 5.042 317 H HIS 42 H HIS 42 3.321 -0.175 7.889 318 HA HIS 42 HA HIS 42 2.760 -2.972 7.207 319 HB2 HIS 42 1HB HIS 42 2.608 -2.460 9.572 320 HB3 HIS 42 2HB HIS 42 1.648 -1.019 9.284 321 HD1 HIS 42 HD1 HIS 42 1.342 -4.703 9.685 322 HD2 HIS 42 HD2 HIS 42 -1.112 -1.481 8.857 323 HE1 HIS 42 HE1 HIS 42 -0.989 -5.584 9.877 324 HE2 HIS 42 HE2 HIS 42 -2.440 -3.660 9.153 325 H PHE 43 H PHE 43 1.151 -3.471 5.749 326 HA PHE 43 HA PHE 43 -0.568 -1.286 4.698 327 HB2 PHE 43 1HB PHE 43 0.449 -3.685 3.112 328 HB3 PHE 43 2HB PHE 43 -0.439 -2.297 2.489 329 HD1 PHE 43 HD1 PHE 43 0.694 -0.043 2.423 330 HD2 PHE 43 HD2 PHE 43 2.842 -3.616 3.350 331 HE1 PHE 43 HE1 PHE 43 2.806 1.080 1.883 332 HE2 PHE 43 HE2 PHE 43 4.949 -2.475 2.831 333 HZ PHE 43 HZ PHE 43 4.945 -0.128 2.097 334 H ASP 44 H ASP 44 -2.726 -1.726 4.396 335 HA ASP 44 HA ASP 44 -3.774 -4.468 4.831 336 HB2 ASP 44 1HB ASP 44 -5.055 -1.867 5.810 337 HB3 ASP 44 2HB ASP 44 -5.768 -3.473 5.958 338 H MET 45 H MET 45 -5.316 -5.091 3.366 339 HA MET 45 HA MET 45 -6.666 -3.079 1.678 340 HB2 MET 45 1HB MET 45 -5.515 -5.745 0.714 341 HB3 MET 45 2HB MET 45 -6.629 -4.758 -0.223 342 HG2 MET 45 1HG MET 45 -4.960 -2.929 -0.255 343 HG3 MET 45 2HG MET 45 -3.838 -3.957 0.634 344 HE1 MET 45 3HE MET 45 -6.339 -5.037 -2.235 345 HE2 MET 45 1HE MET 45 -5.301 -4.903 -3.653 346 HE3 MET 45 2HE MET 45 -5.777 -3.452 -2.770 347 H ASP 46 H ASP 46 -8.857 -3.307 1.785 348 HA ASP 46 HA ASP 46 -10.152 -5.874 2.035 349 HB2 ASP 46 1HB ASP 46 -11.271 -5.558 4.173 350 HB3 ASP 46 2HB ASP 46 -9.538 -5.450 4.426 351 H GLY 47 H GLY 47 -12.505 -5.703 1.974 352 HA2 GLY 47 1HA GLY 47 -14.331 -3.864 1.876 353 HA3 GLY 47 2HA GLY 47 -13.395 -3.296 0.493 354 H GLU 48 H GLU 48 -14.233 -3.935 -1.392 355 HA GLU 48 HA GLU 48 -14.968 -6.693 -1.906 356 HB2 GLU 48 1HB GLU 48 -17.301 -6.158 -2.644 357 HB3 GLU 48 2HB GLU 48 -17.056 -5.932 -0.916 358 HG2 GLU 48 1HG GLU 48 -16.682 -3.440 -1.471 359 HG3 GLU 48 2HG GLU 48 -17.359 -3.819 -3.050 360 H ILE 49 H ILE 49 -15.901 -6.705 -4.484 361 HA ILE 49 HA ILE 49 -14.532 -4.996 -6.154 362 HB ILE 49 HB ILE 49 -13.105 -7.686 -5.716 363 HG12 ILE 49 1HG1 ILE 49 -11.945 -4.851 -5.730 364 HG13 ILE 49 2HG1 ILE 49 -12.196 -5.843 -4.299 365 HG21 ILE 49 1HG2 ILE 49 -11.774 -7.164 -7.780 366 HG22 ILE 49 2HG2 ILE 49 -12.792 -5.747 -8.061 367 HG23 ILE 49 3HG2 ILE 49 -13.493 -7.362 -8.129 368 HD11 ILE 49 3HD1 ILE 49 -10.533 -7.456 -5.156 369 HD12 ILE 49 1HD1 ILE 49 -9.872 -5.836 -4.932 370 HD13 ILE 49 2HD1 ILE 49 -10.266 -6.407 -6.551 371 H ASP 50 H ASP 50 -16.095 -5.136 -7.709 372 HA ASP 50 HA ASP 50 -17.799 -5.863 -9.014 373 HB2 ASP 50 1HB ASP 50 -15.867 -7.084 -10.048 374 HB3 ASP 50 2HB ASP 50 -16.210 -8.461 -9.013 375 H GLY 51 H GLY 51 -18.369 -5.856 -6.334 376 HA2 GLY 51 1HA GLY 51 -20.241 -6.440 -5.095 377 HA3 GLY 51 2HA GLY 51 -20.439 -7.901 -6.036 378 H LYS 52 H LYS 52 -17.665 -8.805 -5.591 379 HA LYS 52 HA LYS 52 -18.318 -10.393 -3.286 380 HB2 LYS 52 1HB LYS 52 -15.917 -10.454 -5.147 381 HB3 LYS 52 2HB LYS 52 -16.352 -11.723 -3.994 382 HG2 LYS 52 1HG LYS 52 -18.524 -12.021 -5.254 383 HG3 LYS 52 2HG LYS 52 -17.923 -10.873 -6.456 384 HD2 LYS 52 1HD LYS 52 -16.002 -12.404 -6.905 385 HD3 LYS 52 2HD LYS 52 -16.674 -13.558 -5.749 386 HE2 LYS 52 1HE LYS 52 -18.730 -13.715 -7.165 387 HE3 LYS 52 2HE LYS 52 -17.973 -12.638 -8.340 388 HZ1 LYS 52 3HZ LYS 52 -16.236 -14.287 -8.665 389 HZ2 LYS 52 1HZ LYS 52 -17.757 -14.956 -8.970 390 HZ3 LYS 52 2HZ LYS 52 -16.953 -15.308 -7.527 391 HA PRO 53 HA PRO 53 -15.630 -7.954 -0.528 392 HB2 PRO 53 1HB PRO 53 -16.086 -9.258 1.785 393 HB3 PRO 53 2HB PRO 53 -17.365 -8.318 0.999 394 HG2 PRO 53 1HG PRO 53 -16.878 -11.303 0.898 395 HG3 PRO 53 2HG PRO 53 -18.397 -10.431 1.215 396 HD2 PRO 53 1HD PRO 53 -17.735 -11.428 -1.265 397 HD3 PRO 53 2HD PRO 53 -18.761 -9.992 -1.043 398 H PHE 54 H PHE 54 -13.671 -8.205 0.803 399 HA PHE 54 HA PHE 54 -12.332 -10.769 1.013 400 HB2 PHE 54 1HB PHE 54 -10.317 -10.165 -0.235 401 HB3 PHE 54 2HB PHE 54 -11.705 -10.039 -1.303 402 HD1 PHE 54 HD1 PHE 54 -12.696 -7.674 -1.714 403 HD2 PHE 54 HD2 PHE 54 -8.830 -8.316 -0.002 404 HE1 PHE 54 HE1 PHE 54 -12.041 -5.381 -2.304 405 HE2 PHE 54 HE2 PHE 54 -8.188 -6.020 -0.603 406 HZ PHE 54 HZ PHE 54 -9.794 -4.552 -1.749 407 H SER 55 H SER 55 -10.462 -10.679 2.410 408 HA SER 55 HA SER 55 -9.637 -8.077 3.516 409 HB2 SER 55 1HB SER 55 -9.607 -9.064 5.845 410 HB3 SER 55 2HB SER 55 -11.227 -8.872 5.178 411 HG SER 55 HG SER 55 -9.781 -11.312 5.044 412 H ASP 56 H ASP 56 -7.565 -7.959 3.006 413 HA ASP 56 HA ASP 56 -5.676 -10.172 3.533 414 HB2 ASP 56 1HB ASP 56 -5.696 -8.340 1.079 415 HB3 ASP 56 2HB ASP 56 -4.407 -9.475 1.469 416 H SER 57 H SER 57 -3.546 -9.452 4.127 417 HA SER 57 HA SER 57 -2.929 -6.606 4.224 418 HB2 SER 57 1HB SER 57 -2.351 -6.689 6.686 419 HB3 SER 57 2HB SER 57 -4.077 -6.853 6.365 420 HG SER 57 HG SER 57 -2.249 -8.741 7.314 421 H PHE 58 H PHE 58 -0.751 -6.214 4.081 422 HA PHE 58 HA PHE 58 1.181 -8.405 4.449 423 HB2 PHE 58 1HB PHE 58 2.282 -7.872 2.267 424 HB3 PHE 58 2HB PHE 58 0.671 -8.540 2.074 425 HD1 PHE 58 HD2 PHE 58 -1.232 -7.029 1.376 426 HD2 PHE 58 HD1 PHE 58 2.825 -5.670 1.389 427 HE1 PHE 58 HE2 PHE 58 -1.843 -5.166 -0.113 428 HE2 PHE 58 HE1 PHE 58 2.205 -3.816 -0.099 429 HZ PHE 58 HZ PHE 58 -0.126 -3.560 -0.854 430 H GLU 59 H GLU 59 3.339 -7.690 4.829 431 HA GLU 59 HA GLU 59 3.675 -4.820 5.486 432 HB2 GLU 59 1HB GLU 59 4.531 -7.215 7.185 433 HB3 GLU 59 2HB GLU 59 4.954 -5.539 7.533 434 HG2 GLU 59 1HG GLU 59 2.614 -4.977 7.901 435 HG3 GLU 59 2HG GLU 59 2.118 -6.585 7.409 436 H LEU 60 H LEU 60 5.447 -3.966 4.581 437 HA LEU 60 HA LEU 60 7.598 -5.750 3.552 438 HB2 LEU 60 1HB LEU 60 6.457 -3.208 2.339 439 HB3 LEU 60 2HB LEU 60 7.925 -3.978 1.766 440 HG LEU 60 HG LEU 60 5.207 -5.355 1.751 441 HD11 LEU 60 1HD1 LEU 60 5.138 -4.907 -0.676 442 HD12 LEU 60 2HD1 LEU 60 6.589 -3.910 -0.537 443 HD13 LEU 60 3HD1 LEU 60 5.094 -3.414 0.265 444 HD21 LEU 60 3HD2 LEU 60 6.307 -6.946 0.215 445 HD22 LEU 60 1HD2 LEU 60 7.125 -6.901 1.777 446 HD23 LEU 60 2HD2 LEU 60 7.833 -6.073 0.385 447 HA PRO 61 HA PRO 61 10.301 -3.240 6.206 448 HB2 PRO 61 1HB PRO 61 12.716 -3.983 5.120 449 HB3 PRO 61 2HB PRO 61 11.792 -5.015 6.218 450 HG2 PRO 61 1HG PRO 61 11.876 -5.061 3.201 451 HG3 PRO 61 2HG PRO 61 12.013 -6.417 4.342 452 HD2 PRO 61 1HD PRO 61 9.685 -5.884 3.101 453 HD3 PRO 61 2HD PRO 61 9.707 -6.439 4.793 454 H ARG 62 H ARG 62 11.613 -1.382 6.049 455 HA ARG 62 HA ARG 62 11.020 0.659 4.448 456 HB2 ARG 62 1HB ARG 62 13.049 1.820 5.137 457 HB3 ARG 62 2HB ARG 62 12.456 0.838 6.472 458 HG2 ARG 62 1HG ARG 62 14.183 -0.844 6.039 459 HG3 ARG 62 2HG ARG 62 14.755 0.065 4.640 460 HD2 ARG 62 1HD ARG 62 15.365 1.950 6.164 461 HD3 ARG 62 2HD ARG 62 14.861 0.960 7.543 462 HE ARG 62 HE ARG 62 16.873 -0.193 5.773 463 HH11 ARG 62 1HH1 ARG 62 16.314 1.512 8.794 464 HH12 ARG 62 2HH1 ARG 62 17.864 1.086 9.442 465 HH21 ARG 62 1HH2 ARG 62 18.899 -0.717 6.653 466 HH22 ARG 62 2HH2 ARG 62 19.311 -0.170 8.246 467 H ASP 63 H ASP 63 13.474 -1.720 3.584 468 HA ASP 63 HA ASP 63 14.630 -0.316 1.400 469 HB2 ASP 63 1HB ASP 63 15.786 -2.078 2.725 470 HB3 ASP 63 2HB ASP 63 14.698 -3.291 2.067 471 H THR 64 H THR 64 11.707 -2.197 1.602 472 HA THR 64 HA THR 64 11.479 -2.392 -1.323 473 HB THR 64 HB THR 64 10.434 -4.704 -1.042 474 HG1 THR 64 HG1 THR 64 11.250 -5.786 0.960 475 HG21 THR 64 3HG2 THR 64 12.737 -4.491 -1.917 476 HG22 THR 64 1HG2 THR 64 12.575 -5.932 -0.913 477 HG23 THR 64 2HG2 THR 64 13.373 -4.496 -0.271 478 H ALA 65 H ALA 65 10.240 -1.002 1.283 479 HA ALA 65 HA ALA 65 7.522 -1.717 1.473 480 HB1 ALA 65 3HB ALA 65 8.704 -0.405 3.190 481 HB2 ALA 65 1HB ALA 65 7.238 0.419 2.659 482 HB3 ALA 65 2HB ALA 65 8.816 0.964 2.080 483 H PHE 66 H PHE 66 9.142 0.667 -0.472 484 HA PHE 66 HA PHE 66 6.973 1.990 -1.630 485 HB2 PHE 66 1HB PHE 66 9.669 1.662 -3.000 486 HB3 PHE 66 2HB PHE 66 8.589 3.051 -3.051 487 HD1 PHE 66 HD2 PHE 66 8.085 4.136 -0.639 488 HD2 PHE 66 HD1 PHE 66 11.532 1.795 -1.594 489 HE1 PHE 66 HE2 PHE 66 9.277 5.096 1.279 490 HE2 PHE 66 HE1 PHE 66 12.710 2.756 0.335 491 HZ PHE 66 HZ PHE 66 11.585 4.407 1.772 492 H ASN 67 H ASN 67 8.112 -1.169 -2.334 493 HA ASN 67 HA ASN 67 7.213 -1.323 -5.090 494 HB2 ASN 67 1HB ASN 67 8.105 -3.468 -3.112 495 HB3 ASN 67 2HB ASN 67 7.656 -3.811 -4.777 496 HD21 ASN 67 2HD2 ASN 67 10.032 -2.360 -2.703 497 HD22 ASN 67 1HD2 ASN 67 11.282 -2.231 -3.878 498 H PHE 68 H PHE 68 5.479 -0.927 -2.375 499 HA PHE 68 HA PHE 68 3.646 -3.073 -2.286 500 HB2 PHE 68 1HB PHE 68 2.481 -1.880 -0.636 501 HB3 PHE 68 2HB PHE 68 4.132 -1.314 -0.445 502 HD1 PHE 68 HD1 PHE 68 4.718 0.936 -1.771 503 HD2 PHE 68 HD2 PHE 68 0.746 -0.286 -0.744 504 HE1 PHE 68 HE1 PHE 68 3.938 3.259 -1.967 505 HE2 PHE 68 HE2 PHE 68 -0.017 2.044 -0.942 506 HZ PHE 68 HZ PHE 68 1.575 3.818 -1.548 507 H ALA 69 H ALA 69 3.936 -0.702 -4.709 508 HA ALA 69 HA ALA 69 1.116 -0.111 -5.094 509 HB1 ALA 69 3HB ALA 69 3.542 0.460 -6.849 510 HB2 ALA 69 1HB ALA 69 2.806 1.581 -5.703 511 HB3 ALA 69 2HB ALA 69 1.905 1.065 -7.126 512 H SER 70 H SER 70 3.690 -2.157 -6.327 513 HA SER 70 HA SER 70 2.204 -3.468 -8.396 514 HB2 SER 70 1HB SER 70 4.747 -4.370 -6.973 515 HB3 SER 70 2HB SER 70 4.155 -4.946 -8.536 516 HG SER 70 HG SER 70 4.940 -3.219 -9.452 517 H ASP 71 H ASP 71 3.001 -4.133 -4.988 518 HA ASP 71 HA ASP 71 1.985 -6.788 -4.835 519 HB2 ASP 71 1HB ASP 71 2.495 -4.681 -2.698 520 HB3 ASP 71 2HB ASP 71 1.853 -6.269 -2.293 521 H ALA 72 H ALA 72 0.585 -3.718 -3.754 522 HA ALA 72 HA ALA 72 -1.960 -4.483 -3.049 523 HB1 ALA 72 3HB ALA 72 -1.041 -2.240 -2.585 524 HB2 ALA 72 1HB ALA 72 -2.635 -2.133 -3.342 525 HB3 ALA 72 2HB ALA 72 -1.181 -1.821 -4.296 526 H THR 73 H THR 73 -0.943 -3.330 -6.314 527 HA THR 73 HA THR 73 -3.419 -3.779 -7.600 528 HB THR 73 HB THR 73 -0.613 -3.714 -8.809 529 HG1 THR 73 HG1 THR 73 -0.766 -1.640 -8.447 530 HG21 THR 73 3HG2 THR 73 -3.290 -3.279 -10.210 531 HG22 THR 73 1HG2 THR 73 -2.241 -4.684 -10.429 532 HG23 THR 73 2HG2 THR 73 -1.696 -3.087 -10.940 533 H ARG 74 H ARG 74 -0.812 -5.949 -6.783 534 HA ARG 74 HA ARG 74 -1.518 -8.109 -8.560 535 HB2 ARG 74 1HB ARG 74 0.786 -7.879 -7.610 536 HB3 ARG 74 2HB ARG 74 0.153 -8.188 -6.003 537 HG2 ARG 74 1HG ARG 74 1.198 -10.205 -6.813 538 HG3 ARG 74 2HG ARG 74 -0.545 -10.474 -6.759 539 HD2 ARG 74 1HD ARG 74 0.349 -11.423 -8.806 540 HD3 ARG 74 2HD ARG 74 -0.654 -10.026 -9.217 541 HE ARG 74 HE ARG 74 2.052 -9.218 -8.946 542 HH11 ARG 74 1HH1 ARG 74 -0.028 -10.958 -11.185 543 HH12 ARG 74 2HH1 ARG 74 1.003 -10.650 -12.547 544 HH21 ARG 74 1HH2 ARG 74 3.371 -8.815 -10.747 545 HH22 ARG 74 2HH2 ARG 74 2.923 -9.444 -12.300 546 H VAL 75 H VAL 75 -2.182 -7.272 -5.188 547 HA VAL 75 HA VAL 75 -3.620 -9.647 -4.473 548 HB VAL 75 HB VAL 75 -3.433 -6.899 -3.139 549 HG11 VAL 75 1HG1 VAL 75 -4.696 -9.423 -1.987 550 HG12 VAL 75 2HG1 VAL 75 -5.539 -7.934 -2.415 551 HG13 VAL 75 3HG1 VAL 75 -4.380 -7.936 -1.088 552 HG21 VAL 75 3HG2 VAL 75 -2.103 -9.539 -2.405 553 HG22 VAL 75 1HG2 VAL 75 -1.918 -8.014 -1.534 554 HG23 VAL 75 2HG2 VAL 75 -1.312 -8.170 -3.180 555 H ALA 76 H ALA 76 -4.416 -6.600 -5.987 556 HA ALA 76 HA ALA 76 -7.251 -6.604 -5.485 557 HB1 ALA 76 3HB ALA 76 -5.587 -5.033 -7.500 558 HB2 ALA 76 1HB ALA 76 -5.989 -4.504 -5.864 559 HB3 ALA 76 2HB ALA 76 -7.266 -4.701 -7.063 560 H GLN 77 H GLN 77 -5.122 -7.243 -8.253 561 HA GLN 77 HA GLN 77 -7.169 -8.184 -10.021 562 HB2 GLN 77 1HB GLN 77 -4.148 -8.506 -10.213 563 HB3 GLN 77 2HB GLN 77 -5.284 -8.928 -11.495 564 HG2 GLN 77 1HG GLN 77 -6.048 -6.520 -11.483 565 HG3 GLN 77 2HG GLN 77 -4.727 -6.168 -10.379 566 HE21 GLN 77 2HE2 GLN 77 -5.601 -7.023 -13.643 567 HE22 GLN 77 1HE2 GLN 77 -4.066 -6.692 -14.361 568 H LYS 78 H LYS 78 -5.064 -9.792 -7.721 569 HA LYS 78 HA LYS 78 -5.587 -12.475 -8.324 570 HB2 LYS 78 1HB LYS 78 -3.867 -11.829 -6.734 571 HB3 LYS 78 2HB LYS 78 -5.035 -11.068 -5.678 572 HG2 LYS 78 1HG LYS 78 -5.359 -14.014 -6.149 573 HG3 LYS 78 2HG LYS 78 -3.968 -13.505 -5.193 574 HD2 LYS 78 1HD LYS 78 -6.877 -12.831 -4.581 575 HD3 LYS 78 2HD LYS 78 -5.923 -14.080 -3.778 576 HE2 LYS 78 1HE LYS 78 -4.385 -12.365 -2.897 577 HE3 LYS 78 2HE LYS 78 -5.296 -11.100 -3.728 578 HZ1 LYS 78 3HZ LYS 78 -6.402 -12.880 -1.626 579 HZ2 LYS 78 1HZ LYS 78 -7.202 -11.594 -2.375 580 HZ3 LYS 78 2HZ LYS 78 -5.874 -11.297 -1.375 581 H HIS 79 H HIS 79 -7.607 -10.029 -6.813 582 HA HIS 79 HA HIS 79 -9.700 -12.024 -6.193 583 HB2 HIS 79 1HB HIS 79 -8.833 -10.538 -4.335 584 HB3 HIS 79 2HB HIS 79 -9.507 -9.154 -5.187 585 HD1 HIS 79 HD1 HIS 79 -11.904 -8.644 -4.702 586 HD2 HIS 79 HD2 HIS 79 -10.872 -12.466 -3.487 587 HE1 HIS 79 HE1 HIS 79 -13.909 -9.531 -3.516 588 HE2 HIS 79 HE2 HIS 79 -13.176 -11.740 -2.581 589 H GLY 80 H GLY 80 -8.981 -10.544 -8.893 590 HA2 GLY 80 1HA GLY 80 -10.412 -10.743 -10.707 591 HA3 GLY 80 2HA GLY 80 -11.801 -10.624 -9.640 592 H LEU 81 H LEU 81 -9.072 -8.360 -9.794 593 HA LEU 81 HA LEU 81 -10.681 -6.077 -10.434 594 HB2 LEU 81 1HB LEU 81 -8.201 -6.367 -9.392 595 HB3 LEU 81 2HB LEU 81 -7.728 -6.168 -11.054 596 HG LEU 81 HG LEU 81 -7.477 -4.060 -9.954 597 HD11 LEU 81 1HD1 LEU 81 -9.985 -3.877 -11.617 598 HD12 LEU 81 2HD1 LEU 81 -8.333 -3.910 -12.234 599 HD13 LEU 81 3HD1 LEU 81 -8.873 -2.557 -11.239 600 HD21 LEU 81 3HD2 LEU 81 -10.341 -4.304 -9.008 601 HD22 LEU 81 1HD2 LEU 81 -9.286 -2.909 -8.763 602 HD23 LEU 81 2HD2 LEU 81 -8.887 -4.456 -8.015 603 H HIS 82 H HIS 82 -8.670 -8.351 -12.253 604 HA HIS 82 HA HIS 82 -8.715 -9.167 -14.357 605 HB2 HIS 82 1HB HIS 82 -10.976 -7.226 -14.995 606 HB3 HIS 82 2HB HIS 82 -10.483 -8.603 -15.975 607 HD1 HIS 82 HD1 HIS 82 -13.152 -7.749 -13.984 608 HD2 HIS 82 HD2 HIS 82 -10.645 -11.062 -13.982 609 HE1 HIS 82 HE1 HIS 82 -14.418 -9.551 -12.779 610 HE2 HIS 82 HE2 HIS 82 -12.948 -11.588 -12.943 611 HA PRO 83 HA PRO 83 -6.527 -6.046 -17.037 612 HB2 PRO 83 1HB PRO 83 -7.335 -7.620 -19.430 613 HB3 PRO 83 2HB PRO 83 -5.711 -7.286 -18.822 614 HG2 PRO 83 1HG PRO 83 -6.788 -9.762 -18.679 615 HG3 PRO 83 2HG PRO 83 -5.700 -9.143 -17.417 616 HD2 PRO 83 1HD PRO 83 -8.717 -9.299 -17.405 617 HD3 PRO 83 2HD PRO 83 -7.564 -9.731 -16.118 618 H LYS 84 H LYS 84 -8.729 -5.056 -16.167 619 HA LYS 84 HA LYS 84 -11.147 -5.431 -17.582 620 HB2 LYS 84 1HB LYS 84 -10.921 -5.070 -15.134 621 HB3 LYS 84 2HB LYS 84 -10.356 -3.432 -15.439 622 HG2 LYS 84 1HG LYS 84 -12.754 -3.322 -16.727 623 HG3 LYS 84 2HG LYS 84 -13.127 -4.542 -15.508 624 HD2 LYS 84 1HD LYS 84 -12.132 -1.712 -15.037 625 HD3 LYS 84 2HD LYS 84 -13.729 -2.355 -14.653 626 HE2 LYS 84 1HE LYS 84 -12.730 -3.836 -12.956 627 HE3 LYS 84 2HE LYS 84 -11.120 -3.220 -13.343 628 HZ1 LYS 84 3HZ LYS 84 -13.380 -1.599 -12.309 629 HZ2 LYS 84 1HZ LYS 84 -11.829 -1.031 -12.649 630 HZ3 LYS 84 2HZ LYS 84 -12.058 -2.139 -11.403 631 H PHE 85 H PHE 85 -8.944 -2.675 -17.278 632 HA PHE 85 HA PHE 85 -10.511 -0.695 -18.515 633 HB2 PHE 85 1HB PHE 85 -7.489 -0.892 -18.169 634 HB3 PHE 85 2HB PHE 85 -8.307 0.552 -18.758 635 HD1 PHE 85 HD2 PHE 85 -7.691 -1.571 -15.793 636 HD2 PHE 85 HD1 PHE 85 -9.597 1.971 -17.251 637 HE1 PHE 85 HE2 PHE 85 -8.019 -0.787 -13.484 638 HE2 PHE 85 HE1 PHE 85 -9.924 2.744 -14.942 639 HZ PHE 85 HZ PHE 85 -9.135 1.371 -13.059 640 H GLY 86 H GLY 86 -8.372 -3.140 -19.839 641 HA2 GLY 86 1HA GLY 86 -7.694 -3.699 -21.959 642 HA3 GLY 86 2HA GLY 86 -9.148 -2.890 -22.530 643 H ALA 87 H ALA 87 -6.743 -1.169 -20.682 644 HA ALA 87 HA ALA 87 -5.491 0.199 -22.888 645 HB1 ALA 87 3HB ALA 87 -7.763 1.170 -23.012 646 HB2 ALA 87 1HB ALA 87 -6.582 2.387 -22.527 647 HB3 ALA 87 2HB ALA 87 -7.654 1.666 -21.323 648 H ILE 88 H ILE 88 -4.887 -1.129 -20.206 649 HA ILE 88 HA ILE 88 -3.712 0.963 -18.572 650 HB ILE 88 HB ILE 88 -2.611 -0.839 -17.285 651 HG12 ILE 88 1HG1 ILE 88 -3.791 -2.769 -19.348 652 HG13 ILE 88 2HG1 ILE 88 -2.081 -2.411 -19.147 653 HG21 ILE 88 1HG2 ILE 88 -5.540 -1.456 -17.832 654 HG22 ILE 88 2HG2 ILE 88 -4.930 -0.233 -16.718 655 HG23 ILE 88 3HG2 ILE 88 -4.633 -1.940 -16.394 656 HD11 ILE 88 3HD1 ILE 88 -2.636 -4.557 -18.198 657 HD12 ILE 88 1HD1 ILE 88 -3.860 -3.824 -17.162 658 HD13 ILE 88 2HD1 ILE 88 -2.152 -3.447 -16.914 659 H THR 89 H THR 89 -2.904 -0.363 -21.523 660 HA THR 89 HA THR 89 -0.133 -0.487 -21.661 661 HB THR 89 HB THR 89 -0.471 0.132 -24.105 662 HG1 THR 89 HG1 THR 89 -2.559 0.594 -24.797 663 HG21 THR 89 3HG2 THR 89 -0.765 -2.232 -23.394 664 HG22 THR 89 1HG2 THR 89 -1.885 -1.813 -24.692 665 HG23 THR 89 2HG2 THR 89 -2.461 -1.908 -23.026 666 H ARG 90 H ARG 90 -2.274 2.355 -22.110 667 HA ARG 90 HA ARG 90 0.010 4.163 -21.548 668 HB2 ARG 90 1HB ARG 90 -2.487 4.644 -23.212 669 HB3 ARG 90 2HB ARG 90 -1.477 5.962 -22.631 670 HG2 ARG 90 1HG ARG 90 -0.568 3.732 -24.486 671 HG3 ARG 90 2HG ARG 90 -0.998 5.373 -24.976 672 HD2 ARG 90 1HD ARG 90 1.342 5.477 -24.882 673 HD3 ARG 90 2HD ARG 90 0.881 6.104 -23.299 674 HE ARG 90 HE ARG 90 1.349 3.278 -23.266 675 HH11 ARG 90 1HH1 ARG 90 3.011 6.374 -23.133 676 HH12 ARG 90 2HH1 ARG 90 4.388 5.725 -22.307 677 HH21 ARG 90 1HH2 ARG 90 3.150 2.458 -22.170 678 HH22 ARG 90 2HH2 ARG 90 4.473 3.508 -21.760 679 H VAL 91 H VAL 91 -0.031 5.129 -19.671 680 HA VAL 91 HA VAL 91 -2.365 6.075 -18.298 681 HB VAL 91 HB VAL 91 -2.569 3.665 -17.749 682 HG11 VAL 91 1HG1 VAL 91 -0.855 2.438 -16.463 683 HG12 VAL 91 2HG1 VAL 91 0.218 3.837 -16.541 684 HG13 VAL 91 3HG1 VAL 91 -0.220 2.981 -18.021 685 HG21 VAL 91 3HG2 VAL 91 -1.679 5.269 -15.316 686 HG22 VAL 91 1HG2 VAL 91 -2.666 3.806 -15.277 687 HG23 VAL 91 2HG2 VAL 91 -3.294 5.276 -16.024 688 H HIS 92 H HIS 92 -1.782 7.541 -16.654 689 HA HIS 92 HA HIS 92 0.916 8.532 -16.594 690 HB2 HIS 92 1HB HIS 92 0.084 10.231 -15.042 691 HB3 HIS 92 2HB HIS 92 -1.072 10.039 -16.347 692 HD1 HIS 92 HD1 HIS 92 -3.316 8.654 -15.705 693 HD2 HIS 92 HD2 HIS 92 -0.964 9.906 -12.524 694 HE1 HIS 92 HE1 HIS 92 -4.762 8.438 -13.670 695 HE2 HIS 92 HE2 HIS 92 -3.332 9.240 -11.754 696 H LYS 93 H LYS 93 2.520 8.075 -15.160 697 HA LYS 93 HA LYS 93 1.985 6.087 -13.027 698 HB2 LYS 93 1HB LYS 93 4.612 6.807 -14.407 699 HB3 LYS 93 2HB LYS 93 4.421 5.590 -13.146 700 HG2 LYS 93 1HG LYS 93 2.890 4.319 -14.663 701 HG3 LYS 93 2HG LYS 93 3.209 5.511 -15.927 702 HD2 LYS 93 1HD LYS 93 4.613 3.531 -16.280 703 HD3 LYS 93 2HD LYS 93 5.624 4.915 -15.867 704 HE2 LYS 93 1HE LYS 93 6.390 2.890 -14.692 705 HE3 LYS 93 2HE LYS 93 5.817 4.092 -13.538 706 HZ1 LYS 93 3HZ LYS 93 5.043 1.865 -13.002 707 HZ2 LYS 93 1HZ LYS 93 4.251 1.753 -14.493 708 HZ3 LYS 93 2HZ LYS 93 3.743 2.886 -13.346 709 H GLU 94 H GLU 94 1.804 6.925 -11.060 710 HA GLU 94 HA GLU 94 3.237 9.406 -10.280 711 HB2 GLU 94 1HB GLU 94 0.840 8.023 -8.983 712 HB3 GLU 94 2HB GLU 94 1.542 9.563 -8.482 713 HG2 GLU 94 1HG GLU 94 0.945 10.522 -10.700 714 HG3 GLU 94 2HG GLU 94 0.186 8.994 -11.134 715 H TYR 95 H TYR 95 4.252 6.551 -10.403 716 HA TYR 95 HA TYR 95 4.454 5.425 -7.828 717 HB2 TYR 95 1HB TYR 95 4.766 4.148 -9.950 718 HB3 TYR 95 2HB TYR 95 6.273 5.001 -10.243 719 HD1 TYR 95 HD2 TYR 95 4.595 2.631 -7.881 720 HD2 TYR 95 HD1 TYR 95 8.330 4.194 -9.253 721 HE1 TYR 95 HE2 TYR 95 5.795 0.926 -6.578 722 HE2 TYR 95 HE1 TYR 95 9.525 2.491 -7.944 723 HH TYR 95 HH TYR 95 7.923 -0.187 -6.518 724 H ASP 96 H ASP 96 6.603 7.600 -9.658 725 HA ASP 96 HA ASP 96 8.792 7.621 -7.851 726 HB2 ASP 96 1HB ASP 96 7.913 9.590 -9.998 727 HB3 ASP 96 2HB ASP 96 9.339 9.891 -9.011 728 H ALA 97 H ALA 97 5.873 9.618 -8.069 729 HA ALA 97 HA ALA 97 6.639 11.655 -6.230 730 HB1 ALA 97 3HB ALA 97 4.258 12.312 -6.276 731 HB2 ALA 97 1HB ALA 97 3.847 10.794 -7.081 732 HB3 ALA 97 2HB ALA 97 4.855 11.984 -7.903 733 H MET 98 H MET 98 4.484 8.856 -5.865 734 HA MET 98 HA MET 98 4.096 8.891 -3.096 735 HB2 MET 98 1HB MET 98 2.769 7.616 -4.733 736 HB3 MET 98 2HB MET 98 4.149 6.591 -5.080 737 HG2 MET 98 1HG MET 98 4.039 5.716 -2.746 738 HG3 MET 98 2HG MET 98 2.587 6.689 -2.486 739 HE1 MET 98 3HE MET 98 4.190 3.728 -4.542 740 HE2 MET 98 1HE MET 98 3.666 4.846 -5.804 741 HE3 MET 98 2HE MET 98 2.858 3.294 -5.614 742 H PHE 99 H PHE 99 6.483 7.132 -4.997 743 HA PHE 99 HA PHE 99 7.988 5.749 -3.176 744 HB2 PHE 99 1HB PHE 99 8.434 5.669 -5.601 745 HB3 PHE 99 2HB PHE 99 9.068 7.304 -5.570 746 HD1 PHE 99 HD2 PHE 99 9.728 3.797 -4.560 747 HD2 PHE 99 HD1 PHE 99 11.386 7.722 -4.917 748 HE1 PHE 99 HE2 PHE 99 11.976 2.883 -4.182 749 HE2 PHE 99 HE1 PHE 99 13.637 6.797 -4.544 750 HZ PHE 99 HZ PHE 99 13.937 4.377 -4.176 751 H GLU 100 H GLU 100 8.410 9.179 -4.013 752 HA GLU 100 HA GLU 100 10.629 9.519 -2.172 753 HB2 GLU 100 1HB GLU 100 10.763 11.822 -2.878 754 HB3 GLU 100 2HB GLU 100 10.609 10.788 -4.295 755 HG2 GLU 100 1HG GLU 100 8.277 11.412 -4.566 756 HG3 GLU 100 2HG GLU 100 8.299 12.319 -3.056 757 H ASP 101 H ASP 101 7.197 10.040 -2.176 758 HA ASP 101 HA ASP 101 6.917 11.786 0.013 759 HB2 ASP 101 1HB ASP 101 5.063 11.400 -1.507 760 HB3 ASP 101 2HB ASP 101 5.049 9.681 -1.137 761 H ILE 102 H ILE 102 6.351 8.261 -0.053 762 HA ILE 102 HA ILE 102 6.269 7.881 2.718 763 HB ILE 102 HB ILE 102 6.927 5.832 0.550 764 HG12 ILE 102 1HG1 ILE 102 4.258 6.618 1.841 765 HG13 ILE 102 2HG1 ILE 102 4.749 6.975 0.188 766 HG21 ILE 102 1HG2 ILE 102 7.579 4.958 2.762 767 HG22 ILE 102 2HG2 ILE 102 6.153 4.110 2.172 768 HG23 ILE 102 3HG2 ILE 102 5.987 5.352 3.413 769 HD11 ILE 102 3HD1 ILE 102 3.171 5.164 0.255 770 HD12 ILE 102 1HD1 ILE 102 4.206 4.246 1.345 771 HD13 ILE 102 2HD1 ILE 102 4.730 4.570 -0.310 772 H ARG 103 H ARG 103 9.020 7.725 0.483 773 HA ARG 103 HA ARG 103 10.925 6.786 2.392 774 HB2 ARG 103 1HB ARG 103 12.590 6.990 0.804 775 HB3 ARG 103 2HB ARG 103 11.175 6.897 -0.216 776 HG2 ARG 103 1HG ARG 103 12.366 8.574 -1.268 777 HG3 ARG 103 2HG ARG 103 11.332 9.530 -0.208 778 HD2 ARG 103 1HD ARG 103 13.174 9.747 1.411 779 HD3 ARG 103 2HD ARG 103 14.180 8.733 0.391 780 HE ARG 103 HE ARG 103 14.705 10.569 -0.845 781 HH11 ARG 103 1HH1 ARG 103 11.592 11.267 0.650 782 HH12 ARG 103 2HH1 ARG 103 11.629 12.939 0.206 783 HH21 ARG 103 1HH2 ARG 103 14.740 12.794 -1.348 784 HH22 ARG 103 2HH2 ARG 103 13.408 13.803 -0.877 785 H ALA 104 H ALA 104 9.570 9.916 1.777 786 HA ALA 104 HA ALA 104 11.448 11.460 3.336 787 HB1 ALA 104 3HB ALA 104 8.645 12.179 2.403 788 HB2 ALA 104 1HB ALA 104 10.146 12.531 1.543 789 HB3 ALA 104 2HB ALA 104 9.822 13.295 3.098 790 H LYS 105 H LYS 105 8.188 10.028 3.920 791 HA LYS 105 HA LYS 105 7.920 10.754 6.588 792 HB2 LYS 105 1HB LYS 105 6.182 9.779 4.998 793 HB3 LYS 105 2HB LYS 105 6.880 8.200 5.315 794 HG2 LYS 105 1HG LYS 105 4.893 8.469 6.645 795 HG3 LYS 105 2HG LYS 105 6.287 8.443 7.719 796 HD2 LYS 105 1HD LYS 105 5.244 11.132 6.814 797 HD3 LYS 105 2HD LYS 105 4.297 10.240 8.000 798 HE2 LYS 105 1HE LYS 105 6.175 10.226 9.562 799 HE3 LYS 105 2HE LYS 105 7.230 10.965 8.356 800 HZ1 LYS 105 3HZ LYS 105 6.396 12.551 9.988 801 HZ2 LYS 105 1HZ LYS 105 4.809 12.246 9.487 802 HZ3 LYS 105 2HZ LYS 105 5.918 12.944 8.417 803 H LEU 106 H LEU 106 9.511 7.919 5.174 804 HA LEU 106 HA LEU 106 10.399 6.691 7.559 805 HB2 LEU 106 1HB LEU 106 11.245 6.558 4.673 806 HB3 LEU 106 2HB LEU 106 12.357 5.916 5.864 807 HG LEU 106 HG LEU 106 10.687 4.272 6.615 808 HD11 LEU 106 1HD1 LEU 106 8.626 5.574 6.198 809 HD12 LEU 106 2HD1 LEU 106 8.550 3.950 5.525 810 HD13 LEU 106 3HD1 LEU 106 8.838 5.329 4.463 811 HD21 LEU 106 3HD2 LEU 106 12.193 3.651 4.778 812 HD22 LEU 106 1HD2 LEU 106 11.023 4.254 3.596 813 HD23 LEU 106 2HD2 LEU 106 10.629 2.860 4.609 814 H HIS 107 H HIS 107 11.723 9.351 5.650 815 HA HIS 107 HA HIS 107 14.099 9.773 7.222 816 HB2 HIS 107 1HB HIS 107 14.004 10.468 4.868 817 HB3 HIS 107 2HB HIS 107 12.638 11.526 5.194 818 HD1 HIS 107 HD1 HIS 107 16.273 11.214 6.354 819 HD2 HIS 107 HD2 HIS 107 13.423 14.113 5.495 820 HE1 HIS 107 HE1 HIS 107 17.451 13.416 6.628 821 HE2 HIS 107 HE2 HIS 107 15.647 15.139 6.301 822 H ALA 108 H ALA 108 10.788 10.548 7.592 823 HA ALA 108 HA ALA 108 9.708 11.016 9.535 824 HB1 ALA 108 3HB ALA 108 10.606 12.271 11.424 825 HB2 ALA 108 1HB ALA 108 12.061 12.665 10.505 826 HB3 ALA 108 2HB ALA 108 11.730 10.993 10.957 827 H HIS 109 H HIS 109 11.240 13.335 7.458 828 HA HIS 109 HA HIS 109 8.840 15.053 7.574 829 HB2 HIS 109 1HB HIS 109 11.700 16.117 7.724 830 HB3 HIS 109 2HB HIS 109 10.276 17.119 7.465 831 HD1 HIS 109 HD1 HIS 109 8.399 16.765 9.522 832 HD2 HIS 109 HD2 HIS 109 12.402 16.036 10.348 833 HE1 HIS 109 HE1 HIS 109 8.604 16.902 12.016 834 HE2 HIS 109 HE2 HIS 109 10.980 16.211 12.492 835 HA PRO 110 HA PRO 110 9.253 14.909 3.092 836 HB2 PRO 110 1HB PRO 110 7.879 17.172 2.357 837 HB3 PRO 110 2HB PRO 110 7.079 15.705 2.932 838 HG2 PRO 110 1HG PRO 110 7.749 18.218 4.451 839 HG3 PRO 110 2HG PRO 110 6.244 17.270 4.468 840 HD2 PRO 110 1HD PRO 110 8.114 17.039 6.431 841 HD3 PRO 110 2HD PRO 110 7.124 15.660 5.909 842 H GLY 111 H GLY 111 11.494 15.135 2.967 843 HA2 GLY 111 1HA GLY 111 12.549 17.840 2.297 844 HA3 GLY 111 2HA GLY 111 13.515 16.489 2.878 845 H GLU 112 H GLU 112 11.992 17.933 0.113 846 HA GLU 112 HA GLU 112 12.156 15.799 -1.718 847 HB2 GLU 112 1HB GLU 112 12.125 17.752 -3.497 848 HB3 GLU 112 2HB GLU 112 10.723 17.454 -2.488 849 HG2 GLU 112 1HG GLU 112 11.100 19.834 -2.712 850 HG3 GLU 112 2HG GLU 112 11.321 19.329 -1.042 851 HA PRO 113 HA PRO 113 16.552 15.900 -2.705 852 HB2 PRO 113 1HB PRO 113 16.618 13.856 -4.468 853 HB3 PRO 113 2HB PRO 113 16.211 13.598 -2.770 854 HG2 PRO 113 1HG PRO 113 14.434 13.566 -5.158 855 HG3 PRO 113 2HG PRO 113 14.264 12.705 -3.619 856 HD2 PRO 113 1HD PRO 113 12.992 15.176 -4.407 857 HD3 PRO 113 2HD PRO 113 12.857 14.338 -2.846 858 H VAL 114 H VAL 114 17.161 17.793 -3.764 859 HA VAL 114 HA VAL 114 16.156 18.523 -6.340 860 HB VAL 114 HB VAL 114 16.830 20.222 -4.670 861 HG11 VAL 114 1HG1 VAL 114 19.179 20.849 -4.283 862 HG12 VAL 114 2HG1 VAL 114 19.715 19.466 -5.239 863 HG13 VAL 114 3HG1 VAL 114 18.851 19.206 -3.725 864 HG21 VAL 114 3HG2 VAL 114 17.914 21.798 -6.247 865 HG22 VAL 114 1HG2 VAL 114 16.614 20.877 -7.012 866 HG23 VAL 114 2HG2 VAL 114 18.300 20.451 -7.320 867 H ASP 115 H ASP 115 16.702 17.569 -8.165 868 HA ASP 115 HA ASP 115 18.763 15.520 -8.143 869 HB2 ASP 115 1HB ASP 115 16.247 15.315 -8.848 870 HB3 ASP 115 2HB ASP 115 16.744 16.027 -10.370 871 H LEU 116 H LEU 116 19.325 18.550 -8.654 872 HA LEU 116 HA LEU 116 20.523 18.761 -11.210 873 HB2 LEU 116 1HB LEU 116 21.808 20.682 -10.224 874 HB3 LEU 116 2HB LEU 116 20.075 20.770 -10.008 875 HG LEU 116 HG LEU 116 20.502 19.883 -7.590 876 HD11 LEU 116 1HD1 LEU 116 23.323 20.838 -8.167 877 HD12 LEU 116 2HD1 LEU 116 22.836 19.180 -7.813 878 HD13 LEU 116 3HD1 LEU 116 22.670 20.424 -6.578 879 HD21 LEU 116 3HD2 LEU 116 20.895 22.152 -6.724 880 HD22 LEU 116 1HD2 LEU 116 19.758 22.172 -8.071 881 HD23 LEU 116 2HD2 LEU 116 21.428 22.683 -8.323 882 H GLU 117 H GLU 117 21.509 17.250 -8.270 883 HA GLU 117 HA GLU 117 24.300 16.941 -8.693 884 HB2 GLU 117 1HB GLU 117 23.012 16.763 -6.506 885 HB3 GLU 117 2HB GLU 117 22.413 15.204 -7.043 886 HG2 GLU 117 1HG GLU 117 24.201 14.834 -5.497 887 HG3 GLU 117 2HG GLU 117 24.763 14.362 -7.100 888 H ARG 118 H ARG 118 21.670 15.539 -10.286 889 HA ARG 118 HA ARG 118 22.825 12.929 -10.824 890 HB2 ARG 118 1HB ARG 118 20.355 13.346 -10.387 891 HB3 ARG 118 2HB ARG 118 20.262 14.185 -11.919 892 HG2 ARG 118 1HG ARG 118 19.433 12.076 -12.457 893 HG3 ARG 118 2HG ARG 118 21.129 11.915 -12.925 894 HD2 ARG 118 1HD ARG 118 20.402 9.927 -11.702 895 HD3 ARG 118 2HD ARG 118 21.600 10.805 -10.741 896 HE ARG 118 HE ARG 118 19.029 11.698 -10.020 897 HH11 ARG 118 1HH1 ARG 118 20.959 8.777 -9.664 898 HH12 ARG 118 2HH1 ARG 118 20.168 8.306 -8.196 899 HH21 ARG 118 1HH2 ARG 118 18.024 11.072 -8.115 900 HH22 ARG 118 2HH2 ARG 118 18.499 9.606 -7.314 901 H ILE 119 H ILE 119 22.878 16.028 -12.345 902 HA ILE 119 HA ILE 119 23.249 15.005 -15.048 903 HB ILE 119 HB ILE 119 23.361 17.911 -14.078 904 HG12 ILE 119 1HG1 ILE 119 21.183 18.115 -15.453 905 HG13 ILE 119 2HG1 ILE 119 21.142 16.357 -15.494 906 HG21 ILE 119 1HG2 ILE 119 23.285 18.532 -16.495 907 HG22 ILE 119 2HG2 ILE 119 23.419 16.824 -16.931 908 HG23 ILE 119 3HG2 ILE 119 24.742 17.628 -16.084 909 HD11 ILE 119 3HD1 ILE 119 19.658 17.288 -13.817 910 HD12 ILE 119 1HD1 ILE 119 21.022 18.074 -13.021 911 HD13 ILE 119 2HD1 ILE 119 20.924 16.311 -13.073 912 H ILE 120 H ILE 120 25.039 13.725 -14.193 913 HA ILE 120 HA ILE 120 27.178 13.100 -14.540 914 HB ILE 120 HB ILE 120 27.727 15.941 -15.531 915 HG12 ILE 120 1HG1 ILE 120 26.836 13.493 -17.144 916 HG13 ILE 120 2HG1 ILE 120 25.811 14.868 -16.740 917 HG21 ILE 120 1HG2 ILE 120 29.581 14.962 -16.844 918 HG22 ILE 120 2HG2 ILE 120 29.246 13.373 -16.154 919 HG23 ILE 120 3HG2 ILE 120 29.816 14.680 -15.118 920 HD11 ILE 120 3HD1 ILE 120 27.284 16.313 -18.107 921 HD12 ILE 120 1HD1 ILE 120 26.537 15.006 -19.024 922 HD13 ILE 120 2HD1 ILE 120 28.228 14.888 -18.549 923 H ARG 121 H ARG 121 26.274 15.266 -12.170 924 HA ARG 121 HA ARG 121 28.807 16.182 -11.181 925 HB2 ARG 121 1HB ARG 121 26.261 15.997 -9.517 926 HB3 ARG 121 2HB ARG 121 27.637 17.060 -9.262 927 HG2 ARG 121 1HG ARG 121 25.419 17.287 -11.298 928 HG3 ARG 121 2HG ARG 121 25.932 18.459 -10.081 929 HD2 ARG 121 1HD ARG 121 27.379 17.688 -12.626 930 HD3 ARG 121 2HD ARG 121 26.594 19.227 -12.274 931 HE ARG 121 HE ARG 121 28.365 19.332 -10.382 932 HH11 ARG 121 1HH1 ARG 121 28.946 18.003 -13.596 933 HH12 ARG 121 2HH1 ARG 121 30.629 18.420 -13.593 934 HH21 ARG 121 1HH2 ARG 121 30.572 19.851 -10.392 935 HH22 ARG 121 2HH2 ARG 121 31.543 19.474 -11.778 936 H HIS 122 H HIS 122 26.460 13.822 -9.841 937 HA HIS 122 HA HIS 122 28.719 12.128 -8.960 938 HB2 HIS 122 1HB HIS 122 25.902 12.414 -7.838 939 HB3 HIS 122 2HB HIS 122 26.834 10.947 -7.551 940 HD1 HIS 122 HD1 HIS 122 25.938 12.948 -5.284 941 HD2 HIS 122 HD2 HIS 122 29.702 12.809 -7.035 942 HE1 HIS 122 HE1 HIS 122 27.507 13.924 -3.585 943 HE2 HIS 122 HE2 HIS 122 29.797 13.618 -4.585 944 H GLU 123 H GLU 123 28.888 10.126 -9.774 945 HA GLU 123 HA GLU 123 26.754 8.784 -11.178 946 HB2 GLU 123 1HB GLU 123 28.501 8.443 -13.217 947 HB3 GLU 123 2HB GLU 123 27.323 9.738 -13.193 948 HG2 GLU 123 1HG GLU 123 29.376 10.668 -13.951 949 HG3 GLU 123 2HG GLU 123 29.087 11.290 -12.333 950 H GLY 124 H GLY 124 30.115 8.849 -10.122 951 HA2 GLY 124 1HA GLY 124 31.473 7.308 -9.135 952 HA3 GLY 124 2HA GLY 124 29.992 6.595 -8.523 953 H SER 125 H SER 125 29.825 4.519 -8.953 954 HA SER 125 HA SER 125 30.144 3.395 -11.569 955 HB2 SER 125 1HB SER 125 31.794 1.599 -10.784 956 HB3 SER 125 2HB SER 125 32.478 3.211 -10.983 957 HG SER 125 HG SER 125 31.605 2.111 -8.519 Start of MODEL 4 1 H1 GLN 1 1H GLN 1 -16.390 9.917 -8.817 2 H2 GLN 1 2H GLN 1 -15.235 11.045 -9.307 3 H3 GLN 1 3H GLN 1 -16.804 11.549 -8.965 4 HA GLN 1 HA GLN 1 -15.306 12.133 -7.195 5 HB2 GLN 1 1HB GLN 1 -17.283 9.907 -6.487 6 HB3 GLN 1 2HB GLN 1 -16.490 10.922 -5.290 7 HG2 GLN 1 1HG GLN 1 -18.702 11.766 -5.596 8 HG3 GLN 1 2HG GLN 1 -17.591 12.923 -6.318 9 HE21 GLN 1 2HE2 GLN 1 -19.991 10.458 -6.989 10 HE22 GLN 1 1HE2 GLN 1 -20.311 10.936 -8.619 11 H GLY 2 H GLY 2 -14.009 11.327 -5.362 12 HA2 GLY 2 1HA GLY 2 -12.876 9.429 -4.311 13 HA3 GLY 2 2HA GLY 2 -12.589 8.772 -5.917 14 H HIS 3 H HIS 3 -10.474 8.877 -6.303 15 HA HIS 3 HA HIS 3 -8.303 9.491 -6.446 16 HB2 HIS 3 1HB HIS 3 -9.443 12.317 -6.573 17 HB3 HIS 3 2HB HIS 3 -7.792 11.884 -7.005 18 HD1 HIS 3 HD1 HIS 3 -10.972 12.489 -8.506 19 HD2 HIS 3 HD2 HIS 3 -7.846 9.858 -9.263 20 HE1 HIS 3 HE1 HIS 3 -11.283 11.738 -10.880 21 HE2 HIS 3 HE2 HIS 3 -9.313 10.251 -11.354 22 H MET 4 H MET 4 -9.617 9.358 -3.753 23 HA MET 4 HA MET 4 -8.426 11.341 -2.047 24 HB2 MET 4 1HB MET 4 -9.797 8.696 -1.395 25 HB3 MET 4 2HB MET 4 -9.302 9.874 -0.187 26 HG2 MET 4 1HG MET 4 -10.852 11.518 -1.153 27 HG3 MET 4 2HG MET 4 -11.341 10.339 -2.371 28 HE1 MET 4 3HE MET 4 -10.576 9.578 1.459 29 HE2 MET 4 1HE MET 4 -12.185 9.769 2.152 30 HE3 MET 4 2HE MET 4 -11.330 11.172 1.507 31 H PHE 5 H PHE 5 -6.213 11.311 -2.201 32 HA PHE 5 HA PHE 5 -4.847 8.959 -1.055 33 HB2 PHE 5 1HB PHE 5 -4.341 8.934 -3.453 34 HB3 PHE 5 2HB PHE 5 -3.871 10.630 -3.414 35 HD1 PHE 5 HD1 PHE 5 -3.015 7.488 -1.517 36 HD2 PHE 5 HD2 PHE 5 -1.543 10.989 -3.490 37 HE1 PHE 5 HE1 PHE 5 -0.711 6.828 -0.982 38 HE2 PHE 5 HE2 PHE 5 0.757 10.312 -2.951 39 HZ PHE 5 HZ PHE 5 1.172 8.243 -1.691 40 H GLU 6 H GLU 6 -3.636 9.429 0.597 41 HA GLU 6 HA GLU 6 -2.605 12.114 1.186 42 HB2 GLU 6 1HB GLU 6 -3.569 11.974 3.495 43 HB3 GLU 6 2HB GLU 6 -4.833 11.984 2.268 44 HG2 GLU 6 1HG GLU 6 -4.882 9.446 2.466 45 HG3 GLU 6 2HG GLU 6 -3.839 9.610 3.872 46 HA PRO 7 HA PRO 7 0.925 9.678 2.763 47 HB2 PRO 7 1HB PRO 7 1.679 11.208 4.971 48 HB3 PRO 7 2HB PRO 7 2.134 11.571 3.303 49 HG2 PRO 7 1HG PRO 7 -0.103 12.731 4.955 50 HG3 PRO 7 2HG PRO 7 1.027 13.557 3.857 51 HD2 PRO 7 1HD PRO 7 -1.494 12.987 3.090 52 HD3 PRO 7 2HD PRO 7 -0.142 12.877 1.941 53 H GLY 8 H GLY 8 0.101 7.764 3.480 54 HA2 GLY 8 1HA GLY 8 0.057 6.433 5.561 55 HA3 GLY 8 2HA GLY 8 -1.102 7.587 6.194 56 H HIS 9 H HIS 9 -2.369 7.621 3.335 57 HA HIS 9 HA HIS 9 -3.742 5.041 3.305 58 HB2 HIS 9 1HB HIS 9 -4.966 6.049 5.105 59 HB3 HIS 9 2HB HIS 9 -5.062 7.595 4.281 60 HD1 HIS 9 HD1 HIS 9 -7.103 8.022 2.886 61 HD2 HIS 9 HD2 HIS 9 -6.751 4.027 3.989 62 HE1 HIS 9 HE1 HIS 9 -9.231 6.926 2.141 63 HE2 HIS 9 HE2 HIS 9 -9.087 4.587 3.037 64 H LEU 10 H LEU 10 -4.656 4.585 1.401 65 HA LEU 10 HA LEU 10 -5.322 6.657 -0.583 66 HB2 LEU 10 1HB LEU 10 -3.292 5.572 -1.379 67 HB3 LEU 10 2HB LEU 10 -3.926 3.978 -1.001 68 HG LEU 10 HG LEU 10 -5.588 4.197 -2.844 69 HD11 LEU 10 1HD1 LEU 10 -5.436 6.025 -4.488 70 HD12 LEU 10 2HD1 LEU 10 -4.234 6.842 -3.487 71 HD13 LEU 10 3HD1 LEU 10 -5.883 6.628 -2.892 72 HD21 LEU 10 3HD2 LEU 10 -2.721 4.665 -3.746 73 HD22 LEU 10 1HD2 LEU 10 -4.014 3.952 -4.718 74 HD23 LEU 10 2HD2 LEU 10 -3.425 3.111 -3.286 75 H HIS 11 H HIS 11 -7.398 6.465 -1.285 76 HA HIS 11 HA HIS 11 -8.934 3.982 -0.772 77 HB2 HIS 11 1HB HIS 11 -9.916 6.017 0.268 78 HB3 HIS 11 2HB HIS 11 -9.936 6.826 -1.294 79 HD1 HIS 11 HD1 HIS 11 -12.531 7.129 -0.959 80 HD2 HIS 11 HD2 HIS 11 -11.312 3.170 -1.287 81 HE1 HIS 11 HE1 HIS 11 -14.621 5.800 -1.346 82 HE2 HIS 11 HE2 HIS 11 -13.858 3.425 -1.608 83 H LEU 12 H LEU 12 -9.093 2.722 -2.535 84 HA LEU 12 HA LEU 12 -8.838 3.769 -5.243 85 HB2 LEU 12 1HB LEU 12 -9.253 0.931 -4.219 86 HB3 LEU 12 2HB LEU 12 -9.064 1.358 -5.911 87 HG LEU 12 HG LEU 12 -6.941 1.581 -3.746 88 HD11 LEU 12 1HD1 LEU 12 -5.772 -0.162 -5.039 89 HD12 LEU 12 2HD1 LEU 12 -7.118 -0.242 -6.177 90 HD13 LEU 12 3HD1 LEU 12 -7.352 -0.727 -4.497 91 HD21 LEU 12 3HD2 LEU 12 -6.757 2.355 -6.682 92 HD22 LEU 12 1HD2 LEU 12 -5.400 2.277 -5.555 93 HD23 LEU 12 2HD2 LEU 12 -6.684 3.453 -5.302 94 H VAL 13 H VAL 13 -10.636 4.411 -6.288 95 HA VAL 13 HA VAL 13 -12.959 2.572 -6.260 96 HB VAL 13 HB VAL 13 -14.403 4.470 -7.068 97 HG11 VAL 13 1HG1 VAL 13 -14.749 5.567 -4.877 98 HG12 VAL 13 2HG1 VAL 13 -13.189 4.959 -4.317 99 HG13 VAL 13 3HG1 VAL 13 -14.493 3.830 -4.690 100 HG21 VAL 13 3HG2 VAL 13 -12.059 6.263 -6.310 101 HG22 VAL 13 1HG2 VAL 13 -13.665 6.818 -6.788 102 HG23 VAL 13 2HG2 VAL 13 -12.644 5.968 -7.948 103 H SER 14 H SER 14 -13.950 2.428 -8.568 104 HA SER 14 HA SER 14 -11.792 2.009 -10.405 105 HB2 SER 14 1HB SER 14 -13.658 1.135 -11.835 106 HB3 SER 14 2HB SER 14 -13.637 0.423 -10.228 107 HG SER 14 HG SER 14 -15.605 1.790 -11.405 108 H LEU 15 H LEU 15 -11.953 2.771 -12.664 109 HA LEU 15 HA LEU 15 -11.851 5.494 -13.017 110 HB2 LEU 15 1HB LEU 15 -12.171 4.880 -15.554 111 HB3 LEU 15 2HB LEU 15 -10.766 4.317 -14.677 112 HG LEU 15 HG LEU 15 -11.887 2.069 -14.406 113 HD11 LEU 15 1HD1 LEU 15 -13.942 3.121 -16.369 114 HD12 LEU 15 2HD1 LEU 15 -14.235 2.662 -14.692 115 HD13 LEU 15 3HD1 LEU 15 -13.760 1.438 -15.865 116 HD21 LEU 15 3HD2 LEU 15 -10.195 2.429 -16.127 117 HD22 LEU 15 1HD2 LEU 15 -11.428 2.990 -17.262 118 HD23 LEU 15 2HD2 LEU 15 -11.428 1.314 -16.704 119 HA PRO 16 HA PRO 16 -16.150 6.892 -13.352 120 HB2 PRO 16 1HB PRO 16 -15.776 9.388 -14.325 121 HB3 PRO 16 2HB PRO 16 -15.206 8.949 -12.707 122 HG2 PRO 16 1HG PRO 16 -13.645 9.059 -15.292 123 HG3 PRO 16 2HG PRO 16 -13.226 9.762 -13.714 124 HD2 PRO 16 1HD PRO 16 -12.221 7.365 -14.552 125 HD3 PRO 16 2HD PRO 16 -12.536 7.713 -12.837 126 H GLY 17 H GLY 17 -17.082 8.663 -15.411 127 HA2 GLY 17 1HA GLY 17 -17.729 8.854 -17.597 128 HA3 GLY 17 2HA GLY 17 -16.443 7.755 -18.056 129 H LEU 18 H LEU 18 -17.074 5.799 -18.822 130 HA LEU 18 HA LEU 18 -19.808 4.931 -18.828 131 HB2 LEU 18 1HB LEU 18 -17.242 3.519 -19.650 132 HB3 LEU 18 2HB LEU 18 -18.841 2.825 -19.870 133 HG LEU 18 HG LEU 18 -17.848 5.381 -21.202 134 HD11 LEU 18 1HD1 LEU 18 -18.270 2.620 -22.392 135 HD12 LEU 18 2HD1 LEU 18 -16.715 3.406 -22.110 136 HD13 LEU 18 3HD1 LEU 18 -17.838 4.078 -23.290 137 HD21 LEU 18 3HD2 LEU 18 -20.471 3.877 -21.567 138 HD22 LEU 18 1HD2 LEU 18 -19.933 5.253 -22.536 139 HD23 LEU 18 2HD2 LEU 18 -20.272 5.466 -20.822 140 H ASP 19 H ASP 19 -16.995 4.313 -16.853 141 HA ASP 19 HA ASP 19 -16.470 2.989 -15.111 142 HB2 ASP 19 1HB ASP 19 -18.363 4.306 -14.096 143 HB3 ASP 19 2HB ASP 19 -19.472 3.019 -14.546 144 H GLN 20 H GLN 20 -15.797 1.356 -16.577 145 HA GLN 20 HA GLN 20 -17.316 -0.689 -17.725 146 HB2 GLN 20 1HB GLN 20 -14.404 -0.762 -16.817 147 HB3 GLN 20 2HB GLN 20 -15.142 -1.936 -17.904 148 HG2 GLN 20 1HG GLN 20 -14.833 1.026 -18.471 149 HG3 GLN 20 2HG GLN 20 -13.789 -0.247 -19.101 150 HE21 GLN 20 2HE2 GLN 20 -14.652 -1.704 -20.652 151 HE22 GLN 20 1HE2 GLN 20 -16.038 -1.293 -21.599 152 H GLN 21 H GLN 21 -15.914 -0.413 -14.548 153 HA GLN 21 HA GLN 21 -17.435 -2.665 -13.501 154 HB2 GLN 21 1HB GLN 21 -15.235 -3.573 -14.323 155 HB3 GLN 21 2HB GLN 21 -14.402 -2.457 -13.249 156 HG2 GLN 21 1HG GLN 21 -15.364 -3.581 -11.303 157 HG3 GLN 21 2HG GLN 21 -16.259 -4.681 -12.359 158 HE21 GLN 21 2HE2 GLN 21 -14.269 -5.334 -10.344 159 HE22 GLN 21 1HE2 GLN 21 -12.990 -6.146 -11.167 160 H ASP 22 H ASP 22 -17.449 -2.611 -11.131 161 HA ASP 22 HA ASP 22 -16.874 0.054 -9.959 162 HB2 ASP 22 1HB ASP 22 -19.282 -0.421 -10.044 163 HB3 ASP 22 2HB ASP 22 -19.043 -1.997 -9.319 164 H ILE 23 H ILE 23 -14.777 -0.403 -9.075 165 HA ILE 23 HA ILE 23 -14.749 -2.453 -6.941 166 HB ILE 23 HB ILE 23 -12.333 -2.523 -7.108 167 HG12 ILE 23 1HG1 ILE 23 -11.310 -1.189 -9.261 168 HG13 ILE 23 2HG1 ILE 23 -12.575 -0.052 -8.825 169 HG21 ILE 23 1HG2 ILE 23 -13.553 -2.693 -9.880 170 HG22 ILE 23 2HG2 ILE 23 -13.570 -3.957 -8.652 171 HG23 ILE 23 3HG2 ILE 23 -12.041 -3.459 -9.377 172 HD11 ILE 23 3HD1 ILE 23 -11.582 0.172 -6.587 173 HD12 ILE 23 1HD1 ILE 23 -10.436 0.569 -7.867 174 HD13 ILE 23 2HD1 ILE 23 -10.324 -0.982 -7.037 175 H ASN 24 H ASN 24 -14.155 -1.817 -4.864 176 HA ASN 24 HA ASN 24 -13.533 1.009 -4.286 177 HB2 ASN 24 1HB ASN 24 -15.828 -0.408 -2.828 178 HB3 ASN 24 2HB ASN 24 -15.295 1.256 -2.634 179 HD21 ASN 24 2HD2 ASN 24 -17.054 -0.950 -4.677 180 HD22 ASN 24 1HD2 ASN 24 -17.844 0.253 -5.634 181 H ILE 25 H ILE 25 -11.719 0.832 -3.054 182 HA ILE 25 HA ILE 25 -11.355 -1.433 -1.187 183 HB ILE 25 HB ILE 25 -9.230 -0.542 -3.193 184 HG12 ILE 25 1HG1 ILE 25 -10.885 -3.109 -3.120 185 HG13 ILE 25 2HG1 ILE 25 -10.990 -1.839 -4.332 186 HG21 ILE 25 1HG2 ILE 25 -7.864 -2.422 -2.338 187 HG22 ILE 25 2HG2 ILE 25 -9.108 -2.796 -1.143 188 HG23 ILE 25 3HG2 ILE 25 -8.229 -1.267 -1.052 189 HD11 ILE 25 3HD1 ILE 25 -8.694 -2.367 -5.035 190 HD12 ILE 25 1HD1 ILE 25 -9.805 -3.727 -5.197 191 HD13 ILE 25 2HD1 ILE 25 -8.662 -3.684 -3.857 192 H HIS 26 H HIS 26 -10.277 -0.934 0.640 193 HA HIS 26 HA HIS 26 -9.425 1.842 1.142 194 HB2 HIS 26 1HB HIS 26 -9.869 -0.265 3.299 195 HB3 HIS 26 2HB HIS 26 -9.991 1.483 3.426 196 HD1 HIS 26 HD1 HIS 26 -12.117 -0.842 4.230 197 HD2 HIS 26 HD2 HIS 26 -12.370 1.811 1.039 198 HE1 HIS 26 HE1 HIS 26 -14.553 -0.690 3.670 199 HE2 HIS 26 HE2 HIS 26 -14.677 0.861 1.695 200 H ILE 27 H ILE 27 -7.211 1.992 0.871 201 HA ILE 27 HA ILE 27 -5.481 -0.251 1.762 202 HB ILE 27 HB ILE 27 -4.820 1.899 -0.313 203 HG12 ILE 27 1HG1 ILE 27 -5.385 -1.091 -0.647 204 HG13 ILE 27 2HG1 ILE 27 -6.337 0.243 -1.289 205 HG21 ILE 27 1HG2 ILE 27 -3.097 -0.428 0.664 206 HG22 ILE 27 2HG2 ILE 27 -2.815 1.283 0.988 207 HG23 ILE 27 3HG2 ILE 27 -2.680 0.669 -0.657 208 HD11 ILE 27 3HD1 ILE 27 -5.042 -0.825 -3.028 209 HD12 ILE 27 1HD1 ILE 27 -3.543 -0.524 -2.148 210 HD13 ILE 27 2HD1 ILE 27 -4.482 0.829 -2.790 211 H ARG 28 H ARG 28 -4.570 0.213 3.689 212 HA ARG 28 HA ARG 28 -3.695 2.996 4.267 213 HB2 ARG 28 1HB ARG 28 -3.957 0.689 6.266 214 HB3 ARG 28 2HB ARG 28 -3.553 2.358 6.637 215 HG2 ARG 28 1HG ARG 28 -5.785 2.185 7.299 216 HG3 ARG 28 2HG ARG 28 -5.904 2.936 5.707 217 HD2 ARG 28 1HD ARG 28 -6.447 0.747 4.712 218 HD3 ARG 28 2HD ARG 28 -6.295 -0.023 6.297 219 HE ARG 28 HE ARG 28 -8.220 2.150 6.099 220 HH11 ARG 28 1HH1 ARG 28 -7.737 -1.324 6.093 221 HH12 ARG 28 2HH1 ARG 28 -9.422 -1.673 6.301 222 HH21 ARG 28 1HH2 ARG 28 -10.425 1.667 6.424 223 HH22 ARG 28 2HH2 ARG 28 -10.927 0.011 6.546 224 H TYR 29 H TYR 29 -1.522 3.303 3.958 225 HA TYR 29 HA TYR 29 0.291 1.009 4.475 226 HB2 TYR 29 1HB TYR 29 1.955 2.053 3.028 227 HB3 TYR 29 2HB TYR 29 0.468 1.805 2.132 228 HD1 TYR 29 HD2 TYR 29 -1.050 3.876 1.701 229 HD2 TYR 29 HD1 TYR 29 2.976 4.210 3.114 230 HE1 TYR 29 HE2 TYR 29 -0.977 6.221 0.961 231 HE2 TYR 29 HE1 TYR 29 3.039 6.549 2.375 232 HH TYR 29 HH TYR 29 1.905 7.996 0.756 233 H GLU 30 H GLU 30 1.271 1.176 6.366 234 HA GLU 30 HA GLU 30 1.438 3.825 7.705 235 HB2 GLU 30 1HB GLU 30 0.614 1.153 8.930 236 HB3 GLU 30 2HB GLU 30 0.822 2.661 9.821 237 HG2 GLU 30 1HG GLU 30 -1.029 3.681 8.545 238 HG3 GLU 30 2HG GLU 30 -1.230 2.189 7.628 239 H VAL 31 H VAL 31 3.504 4.293 7.928 240 HA VAL 31 HA VAL 31 5.596 2.294 7.986 241 HB VAL 31 HB VAL 31 5.725 5.340 8.217 242 HG11 VAL 31 1HG1 VAL 31 7.995 3.374 7.721 243 HG12 VAL 31 2HG1 VAL 31 7.746 4.326 9.186 244 HG13 VAL 31 3HG1 VAL 31 8.128 5.135 7.665 245 HG21 VAL 31 3HG2 VAL 31 6.377 5.306 5.835 246 HG22 VAL 31 1HG2 VAL 31 4.782 4.586 6.062 247 HG23 VAL 31 2HG2 VAL 31 6.188 3.554 5.793 248 H ARG 32 H ARG 32 6.232 1.345 9.804 249 HA ARG 32 HA ARG 32 6.371 2.820 12.353 250 HB2 ARG 32 1HB ARG 32 4.367 1.211 12.216 251 HB3 ARG 32 2HB ARG 32 5.518 -0.109 12.111 252 HG2 ARG 32 1HG ARG 32 5.635 1.795 14.448 253 HG3 ARG 32 2HG ARG 32 4.410 0.532 14.420 254 HD2 ARG 32 1HD ARG 32 6.147 -1.187 14.322 255 HD3 ARG 32 2HD ARG 32 7.403 0.052 14.224 256 HE ARG 32 HE ARG 32 6.015 0.601 16.540 257 HH11 ARG 32 1HH1 ARG 32 7.825 -2.178 15.363 258 HH12 ARG 32 2HH1 ARG 32 8.349 -2.642 16.945 259 HH21 ARG 32 1HH2 ARG 32 6.713 -0.028 18.589 260 HH22 ARG 32 2HH2 ARG 32 7.716 -1.435 18.774 261 H GLN 33 H GLN 33 8.184 2.170 13.642 262 HA GLN 33 HA GLN 33 10.361 0.964 12.049 263 HB2 GLN 33 1HB GLN 33 10.666 2.734 14.511 264 HB3 GLN 33 2HB GLN 33 11.908 2.300 13.348 265 HG2 GLN 33 1HG GLN 33 9.544 4.124 12.834 266 HG3 GLN 33 2HG GLN 33 11.199 4.645 13.120 267 HE21 GLN 33 2HE2 GLN 33 8.957 3.376 10.811 268 HE22 GLN 33 1HE2 GLN 33 10.000 3.457 9.439 269 H ASN 34 H ASN 34 10.678 -1.123 12.617 270 HA ASN 34 HA ASN 34 10.253 -2.013 15.398 271 HB2 ASN 34 1HB ASN 34 10.067 -4.260 14.559 272 HB3 ASN 34 2HB ASN 34 9.107 -3.255 13.483 273 HD21 ASN 34 2HD2 ASN 34 10.213 -2.629 11.403 274 HD22 ASN 34 1HD2 ASN 34 11.266 -3.783 10.681 275 H ALA 35 H ALA 35 11.935 -2.941 16.560 276 HA ALA 35 HA ALA 35 14.565 -1.978 16.027 277 HB1 ALA 35 3HB ALA 35 13.663 -2.188 18.305 278 HB2 ALA 35 1HB ALA 35 15.170 -3.090 18.134 279 HB3 ALA 35 2HB ALA 35 13.623 -3.943 18.139 280 H GLU 36 H GLU 36 12.947 -4.819 15.043 281 HA GLU 36 HA GLU 36 15.134 -6.667 15.040 282 HB2 GLU 36 1HB GLU 36 12.849 -7.466 15.292 283 HB3 GLU 36 2HB GLU 36 12.378 -6.740 13.767 284 HG2 GLU 36 1HG GLU 36 12.566 -9.146 13.538 285 HG3 GLU 36 2HG GLU 36 13.783 -8.344 12.544 286 H SER 37 H SER 37 13.581 -4.643 12.545 287 HA SER 37 HA SER 37 15.600 -5.505 10.543 288 HB2 SER 37 1HB SER 37 13.404 -6.657 10.202 289 HB3 SER 37 2HB SER 37 12.612 -5.093 10.045 290 HG SER 37 HG SER 37 14.255 -6.462 8.269 291 H GLY 38 H GLY 38 14.113 -2.876 12.122 292 HA2 GLY 38 1HA GLY 38 14.845 -0.618 11.865 293 HA3 GLY 38 2HA GLY 38 15.173 -0.926 10.160 294 H ALA 39 H ALA 39 13.821 0.631 9.272 295 HA ALA 39 HA ALA 39 11.102 1.048 9.966 296 HB1 ALA 39 3HB ALA 39 12.401 2.680 8.665 297 HB2 ALA 39 1HB ALA 39 10.925 2.229 7.809 298 HB3 ALA 39 2HB ALA 39 12.479 1.558 7.305 299 H TYR 40 H TYR 40 9.210 0.145 9.228 300 HA TYR 40 HA TYR 40 9.153 -1.533 6.836 301 HB2 TYR 40 1HB TYR 40 8.261 -3.502 7.768 302 HB3 TYR 40 2HB TYR 40 9.481 -3.066 8.946 303 HD1 TYR 40 HD1 TYR 40 8.760 -2.133 11.192 304 HD2 TYR 40 HD2 TYR 40 5.910 -3.606 8.370 305 HE1 TYR 40 HE1 TYR 40 7.090 -2.317 12.971 306 HE2 TYR 40 HE2 TYR 40 4.231 -3.775 10.154 307 HH TYR 40 HH TYR 40 4.530 -2.322 13.122 308 H VAL 41 H VAL 41 6.800 -1.998 6.225 309 HA VAL 41 HA VAL 41 5.004 0.162 7.166 310 HB VAL 41 HB VAL 41 5.169 -0.629 4.230 311 HG11 VAL 41 1HG1 VAL 41 3.942 1.489 3.856 312 HG12 VAL 41 2HG1 VAL 41 3.937 1.795 5.595 313 HG13 VAL 41 3HG1 VAL 41 3.057 0.412 4.941 314 HG21 VAL 41 3HG2 VAL 41 6.446 1.432 3.768 315 HG22 VAL 41 1HG2 VAL 41 7.357 0.329 4.803 316 HG23 VAL 41 2HG2 VAL 41 6.573 1.748 5.502 317 H HIS 42 H HIS 42 2.970 -0.466 7.531 318 HA HIS 42 HA HIS 42 2.083 -3.217 7.049 319 HB2 HIS 42 1HB HIS 42 1.781 -2.465 9.330 320 HB3 HIS 42 2HB HIS 42 1.080 -0.940 8.820 321 HD1 HIS 42 HD1 HIS 42 0.188 -4.572 9.321 322 HD2 HIS 42 HD2 HIS 42 -1.681 -0.993 8.324 323 HE1 HIS 42 HE1 HIS 42 -2.274 -5.007 9.533 324 HE2 HIS 42 HE2 HIS 42 -3.376 -2.885 8.756 325 H PHE 43 H PHE 43 1.036 -3.531 5.140 326 HA PHE 43 HA PHE 43 -0.573 -1.367 3.910 327 HB2 PHE 43 1HB PHE 43 0.444 -3.952 2.643 328 HB3 PHE 43 2HB PHE 43 -0.346 -2.618 1.805 329 HD1 PHE 43 HD1 PHE 43 0.851 -0.409 1.595 330 HD2 PHE 43 HD2 PHE 43 2.812 -3.896 3.101 331 HE1 PHE 43 HE1 PHE 43 3.036 0.636 1.187 332 HE2 PHE 43 HE2 PHE 43 4.984 -2.838 2.688 333 HZ PHE 43 HZ PHE 43 5.107 -0.578 1.733 334 H ASP 44 H ASP 44 -2.714 -1.534 4.156 335 HA ASP 44 HA ASP 44 -3.915 -4.121 4.983 336 HB2 ASP 44 1HB ASP 44 -3.528 -2.327 6.809 337 HB3 ASP 44 2HB ASP 44 -4.749 -1.366 5.989 338 H MET 45 H MET 45 -5.514 -4.752 3.584 339 HA MET 45 HA MET 45 -6.868 -2.712 1.892 340 HB2 MET 45 1HB MET 45 -5.839 -5.426 0.955 341 HB3 MET 45 2HB MET 45 -6.783 -4.305 -0.021 342 HG2 MET 45 1HG MET 45 -4.940 -2.656 0.135 343 HG3 MET 45 2HG MET 45 -3.997 -3.821 1.062 344 HE1 MET 45 3HE MET 45 -5.219 -4.516 -3.353 345 HE2 MET 45 1HE MET 45 -5.682 -3.078 -2.443 346 HE3 MET 45 2HE MET 45 -6.368 -4.648 -2.020 347 H ASP 46 H ASP 46 -9.051 -2.909 1.736 348 HA ASP 46 HA ASP 46 -10.449 -5.403 1.837 349 HB2 ASP 46 1HB ASP 46 -11.659 -5.270 3.879 350 HB3 ASP 46 2HB ASP 46 -10.002 -4.909 4.339 351 H GLY 47 H GLY 47 -12.946 -4.913 1.943 352 HA2 GLY 47 1HA GLY 47 -14.467 -2.835 1.738 353 HA3 GLY 47 2HA GLY 47 -13.519 -2.518 0.284 354 H GLU 48 H GLU 48 -14.580 -3.120 -1.481 355 HA GLU 48 HA GLU 48 -15.720 -5.774 -1.777 356 HB2 GLU 48 1HB GLU 48 -17.916 -4.925 -2.601 357 HB3 GLU 48 2HB GLU 48 -17.655 -4.566 -0.896 358 HG2 GLU 48 1HG GLU 48 -17.135 -2.239 -1.402 359 HG3 GLU 48 2HG GLU 48 -17.218 -2.555 -3.135 360 H ILE 49 H ILE 49 -16.711 -5.802 -4.310 361 HA ILE 49 HA ILE 49 -15.228 -4.447 -6.170 362 HB ILE 49 HB ILE 49 -14.146 -7.256 -5.518 363 HG12 ILE 49 1HG1 ILE 49 -12.687 -4.586 -5.911 364 HG13 ILE 49 2HG1 ILE 49 -12.883 -5.447 -4.391 365 HG21 ILE 49 1HG2 ILE 49 -14.671 -7.193 -7.912 366 HG22 ILE 49 2HG2 ILE 49 -12.923 -7.168 -7.695 367 HG23 ILE 49 3HG2 ILE 49 -13.783 -5.679 -8.105 368 HD11 ILE 49 3HD1 ILE 49 -11.463 -7.261 -5.252 369 HD12 ILE 49 1HD1 ILE 49 -10.641 -5.701 -5.244 370 HD13 ILE 49 2HD1 ILE 49 -11.250 -6.363 -6.759 371 H ASP 50 H ASP 50 -17.072 -4.382 -7.444 372 HA ASP 50 HA ASP 50 -18.956 -4.912 -8.573 373 HB2 ASP 50 1HB ASP 50 -17.897 -7.775 -8.496 374 HB3 ASP 50 2HB ASP 50 -19.267 -7.241 -9.461 375 H GLY 51 H GLY 51 -19.214 -4.517 -5.923 376 HA2 GLY 51 1HA GLY 51 -20.757 -4.675 -4.247 377 HA3 GLY 51 2HA GLY 51 -21.564 -5.958 -5.126 378 H LYS 52 H LYS 52 -18.774 -7.414 -5.098 379 HA LYS 52 HA LYS 52 -19.487 -9.074 -2.848 380 HB2 LYS 52 1HB LYS 52 -17.330 -9.328 -4.984 381 HB3 LYS 52 2HB LYS 52 -17.775 -10.599 -3.847 382 HG2 LYS 52 1HG LYS 52 -19.941 -10.877 -4.857 383 HG3 LYS 52 2HG LYS 52 -19.755 -9.410 -5.822 384 HD2 LYS 52 1HD LYS 52 -18.083 -11.939 -6.149 385 HD3 LYS 52 2HD LYS 52 -19.462 -11.502 -7.161 386 HE2 LYS 52 1HE LYS 52 -18.250 -9.429 -7.850 387 HE3 LYS 52 2HE LYS 52 -16.855 -9.957 -6.909 388 HZ1 LYS 52 3HZ LYS 52 -16.666 -10.478 -9.277 389 HZ2 LYS 52 1HZ LYS 52 -18.042 -11.454 -9.181 390 HZ3 LYS 52 2HZ LYS 52 -16.644 -11.872 -8.326 391 HA PRO 53 HA PRO 53 -16.423 -6.820 -0.354 392 HB2 PRO 53 1HB PRO 53 -16.942 -7.934 2.064 393 HB3 PRO 53 2HB PRO 53 -18.083 -6.830 1.281 394 HG2 PRO 53 1HG PRO 53 -18.111 -9.849 1.336 395 HG3 PRO 53 2HG PRO 53 -19.448 -8.715 1.636 396 HD2 PRO 53 1HD PRO 53 -19.072 -9.949 -0.782 397 HD3 PRO 53 2HD PRO 53 -19.802 -8.336 -0.634 398 H PHE 54 H PHE 54 -14.468 -7.190 0.855 399 HA PHE 54 HA PHE 54 -13.438 -9.856 1.306 400 HB2 PHE 54 1HB PHE 54 -11.499 -9.744 -0.108 401 HB3 PHE 54 2HB PHE 54 -12.873 -9.370 -1.128 402 HD1 PHE 54 HD1 PHE 54 -13.370 -6.807 -1.538 403 HD2 PHE 54 HD2 PHE 54 -9.618 -8.318 -0.129 404 HE1 PHE 54 HE1 PHE 54 -12.247 -4.750 -2.285 405 HE2 PHE 54 HE2 PHE 54 -8.512 -6.257 -0.880 406 HZ PHE 54 HZ PHE 54 -9.823 -4.478 -1.955 407 H SER 55 H SER 55 -11.392 -9.830 2.433 408 HA SER 55 HA SER 55 -10.180 -7.303 3.249 409 HB2 SER 55 1HB SER 55 -10.208 -8.009 5.687 410 HB3 SER 55 2HB SER 55 -11.798 -7.614 5.040 411 HG SER 55 HG SER 55 -11.242 -10.249 4.700 412 H ASP 56 H ASP 56 -8.039 -7.564 2.898 413 HA ASP 56 HA ASP 56 -6.581 -9.868 3.887 414 HB2 ASP 56 1HB ASP 56 -7.269 -10.617 1.612 415 HB3 ASP 56 2HB ASP 56 -6.545 -9.173 0.912 416 H SER 57 H SER 57 -4.287 -9.413 4.106 417 HA SER 57 HA SER 57 -3.399 -6.644 3.714 418 HB2 SER 57 1HB SER 57 -4.663 -6.462 5.803 419 HB3 SER 57 2HB SER 57 -3.844 -7.866 6.477 420 HG SER 57 HG SER 57 -2.481 -5.499 5.724 421 H PHE 58 H PHE 58 -1.172 -6.389 3.852 422 HA PHE 58 HA PHE 58 0.566 -8.642 4.564 423 HB2 PHE 58 1HB PHE 58 1.876 -8.444 2.483 424 HB3 PHE 58 2HB PHE 58 0.219 -8.899 2.132 425 HD1 PHE 58 HD2 PHE 58 -1.382 -7.093 1.236 426 HD2 PHE 58 HD1 PHE 58 2.851 -6.489 1.452 427 HE1 PHE 58 HE2 PHE 58 -1.548 -5.278 -0.414 428 HE2 PHE 58 HE1 PHE 58 2.668 -4.672 -0.200 429 HZ PHE 58 HZ PHE 58 0.474 -4.071 -1.137 430 H GLU 59 H GLU 59 2.694 -8.013 5.132 431 HA GLU 59 HA GLU 59 3.213 -5.101 5.402 432 HB2 GLU 59 1HB GLU 59 3.969 -7.356 7.321 433 HB3 GLU 59 2HB GLU 59 4.739 -5.776 7.371 434 HG2 GLU 59 1HG GLU 59 3.095 -5.825 9.088 435 HG3 GLU 59 2HG GLU 59 2.498 -4.757 7.823 436 H LEU 60 H LEU 60 5.091 -4.394 4.546 437 HA LEU 60 HA LEU 60 7.171 -6.346 3.733 438 HB2 LEU 60 1HB LEU 60 6.338 -3.822 2.253 439 HB3 LEU 60 2HB LEU 60 7.692 -4.844 1.812 440 HG LEU 60 HG LEU 60 4.775 -5.727 1.768 441 HD11 LEU 60 1HD1 LEU 60 6.562 -4.980 -0.566 442 HD12 LEU 60 2HD1 LEU 60 5.197 -4.039 0.039 443 HD13 LEU 60 3HD1 LEU 60 4.921 -5.627 -0.675 444 HD21 LEU 60 3HD2 LEU 60 5.616 -7.703 0.543 445 HD22 LEU 60 1HD2 LEU 60 6.276 -7.612 2.174 446 HD23 LEU 60 2HD2 LEU 60 7.273 -7.154 0.790 447 HA PRO 61 HA PRO 61 9.729 -3.636 6.413 448 HB2 PRO 61 1HB PRO 61 12.120 -4.912 5.874 449 HB3 PRO 61 2HB PRO 61 10.938 -5.525 7.039 450 HG2 PRO 61 1HG PRO 61 11.342 -6.319 4.151 451 HG3 PRO 61 2HG PRO 61 11.149 -7.363 5.582 452 HD2 PRO 61 1HD PRO 61 9.075 -6.873 3.943 453 HD3 PRO 61 2HD PRO 61 8.829 -6.975 5.702 454 H ARG 62 H ARG 62 11.618 -2.204 6.000 455 HA ARG 62 HA ARG 62 11.531 -0.552 3.836 456 HB2 ARG 62 1HB ARG 62 12.788 0.026 5.833 457 HB3 ARG 62 2HB ARG 62 13.949 -1.263 5.541 458 HG2 ARG 62 1HG ARG 62 14.768 -0.076 3.533 459 HG3 ARG 62 2HG ARG 62 13.584 1.201 3.796 460 HD2 ARG 62 1HD ARG 62 14.673 1.836 5.887 461 HD3 ARG 62 2HD ARG 62 15.798 0.478 5.742 462 HE ARG 62 HE ARG 62 16.103 1.933 3.423 463 HH11 ARG 62 1HH1 ARG 62 16.488 2.662 6.840 464 HH12 ARG 62 2HH1 ARG 62 17.772 3.791 6.565 465 HH21 ARG 62 1HH2 ARG 62 17.770 3.424 3.098 466 HH22 ARG 62 2HH2 ARG 62 18.502 4.211 4.459 467 H ASP 63 H ASP 63 13.382 -3.522 4.070 468 HA ASP 63 HA ASP 63 14.987 -3.426 1.800 469 HB2 ASP 63 1HB ASP 63 15.158 -5.083 3.658 470 HB3 ASP 63 2HB ASP 63 13.678 -5.856 3.106 471 H THR 64 H THR 64 11.539 -4.209 2.038 472 HA THR 64 HA THR 64 11.387 -4.822 -0.855 473 HB THR 64 HB THR 64 9.617 -6.547 -0.294 474 HG1 THR 64 HG1 THR 64 9.195 -7.032 1.766 475 HG21 THR 64 3HG2 THR 64 11.930 -7.299 -0.785 476 HG22 THR 64 1HG2 THR 64 11.150 -8.335 0.413 477 HG23 THR 64 2HG2 THR 64 12.341 -7.138 0.927 478 H ALA 65 H ALA 65 10.544 -2.547 1.260 479 HA ALA 65 HA ALA 65 7.741 -2.439 1.408 480 HB1 ALA 65 3HB ALA 65 9.704 -0.125 1.526 481 HB2 ALA 65 1HB ALA 65 9.213 -1.137 2.888 482 HB3 ALA 65 2HB ALA 65 8.031 -0.095 2.093 483 H PHE 66 H PHE 66 9.959 -0.968 -0.867 484 HA PHE 66 HA PHE 66 8.162 0.496 -2.422 485 HB2 PHE 66 1HB PHE 66 10.784 -0.666 -3.437 486 HB3 PHE 66 2HB PHE 66 10.003 0.832 -3.945 487 HD1 PHE 66 HD2 PHE 66 9.537 2.542 -1.905 488 HD2 PHE 66 HD1 PHE 66 12.598 -0.449 -1.953 489 HE1 PHE 66 HE2 PHE 66 10.770 3.762 -0.172 490 HE2 PHE 66 HE1 PHE 66 13.818 0.782 -0.208 491 HZ PHE 66 HZ PHE 66 12.906 2.887 0.682 492 H ASN 67 H ASN 67 8.557 -2.885 -2.360 493 HA ASN 67 HA ASN 67 7.709 -3.452 -5.077 494 HB2 ASN 67 1HB ASN 67 7.957 -5.262 -2.640 495 HB3 ASN 67 2HB ASN 67 7.613 -5.829 -4.274 496 HD21 ASN 67 2HD2 ASN 67 9.814 -6.560 -2.577 497 HD22 ASN 67 1HD2 ASN 67 11.266 -6.116 -3.405 498 H PHE 68 H PHE 68 6.028 -2.003 -2.779 499 HA PHE 68 HA PHE 68 3.781 -3.673 -2.249 500 HB2 PHE 68 1HB PHE 68 2.941 -1.857 -0.969 501 HB3 PHE 68 2HB PHE 68 4.687 -1.769 -0.781 502 HD1 PHE 68 HD1 PHE 68 5.918 -0.154 -2.564 503 HD2 PHE 68 HD2 PHE 68 1.789 0.142 -1.465 504 HE1 PHE 68 HE1 PHE 68 5.868 2.165 -3.368 505 HE2 PHE 68 HE2 PHE 68 1.756 2.469 -2.269 506 HZ PHE 68 HZ PHE 68 3.792 3.475 -3.222 507 H ALA 69 H ALA 69 4.495 -1.579 -4.985 508 HA ALA 69 HA ALA 69 1.811 -0.433 -5.117 509 HB1 ALA 69 3HB ALA 69 4.165 -0.118 -7.013 510 HB2 ALA 69 1HB ALA 69 3.760 0.966 -5.680 511 HB3 ALA 69 2HB ALA 69 2.666 0.813 -7.054 512 H SER 70 H SER 70 3.873 -2.615 -6.918 513 HA SER 70 HA SER 70 1.906 -3.442 -8.846 514 HB2 SER 70 1HB SER 70 4.560 -4.736 -8.100 515 HB3 SER 70 2HB SER 70 3.614 -5.073 -9.553 516 HG SER 70 HG SER 70 5.372 -3.064 -9.050 517 H ASP 71 H ASP 71 3.019 -4.531 -5.674 518 HA ASP 71 HA ASP 71 1.883 -7.158 -5.805 519 HB2 ASP 71 1HB ASP 71 3.824 -6.580 -4.328 520 HB3 ASP 71 2HB ASP 71 2.745 -5.625 -3.315 521 H ALA 72 H ALA 72 0.898 -4.251 -3.911 522 HA ALA 72 HA ALA 72 -1.555 -5.036 -2.945 523 HB1 ALA 72 3HB ALA 72 -0.479 -2.895 -2.354 524 HB2 ALA 72 1HB ALA 72 -2.163 -2.653 -2.825 525 HB3 ALA 72 2HB ALA 72 -0.861 -2.250 -3.950 526 H THR 73 H THR 73 -0.870 -3.659 -6.170 527 HA THR 73 HA THR 73 -3.501 -3.660 -7.188 528 HB THR 73 HB THR 73 -0.852 -3.987 -8.681 529 HG1 THR 73 HG1 THR 73 -1.083 -2.037 -7.484 530 HG21 THR 73 3HG2 THR 73 -2.717 -4.692 -10.142 531 HG22 THR 73 1HG2 THR 73 -2.061 -3.146 -10.683 532 HG23 THR 73 2HG2 THR 73 -3.582 -3.193 -9.788 533 H ARG 74 H ARG 74 -0.915 -6.119 -7.451 534 HA ARG 74 HA ARG 74 -2.207 -8.239 -8.682 535 HB2 ARG 74 1HB ARG 74 0.184 -8.264 -8.240 536 HB3 ARG 74 2HB ARG 74 -0.086 -8.225 -6.506 537 HG2 ARG 74 1HG ARG 74 -1.138 -10.520 -6.700 538 HG3 ARG 74 2HG ARG 74 -0.613 -10.541 -8.387 539 HD2 ARG 74 1HD ARG 74 1.208 -10.276 -5.959 540 HD3 ARG 74 2HD ARG 74 0.976 -11.736 -6.926 541 HE ARG 74 HE ARG 74 1.872 -10.333 -8.844 542 HH11 ARG 74 1HH1 ARG 74 2.925 -9.685 -5.543 543 HH12 ARG 74 2HH1 ARG 74 4.500 -9.158 -6.040 544 HH21 ARG 74 1HH2 ARG 74 3.946 -9.634 -9.450 545 HH22 ARG 74 2HH2 ARG 74 5.082 -9.137 -8.234 546 H VAL 75 H VAL 75 -2.220 -7.378 -5.236 547 HA VAL 75 HA VAL 75 -3.522 -9.647 -4.166 548 HB VAL 75 HB VAL 75 -3.187 -6.791 -3.124 549 HG11 VAL 75 1HG1 VAL 75 -3.917 -7.561 -0.880 550 HG12 VAL 75 2HG1 VAL 75 -4.383 -9.120 -1.567 551 HG13 VAL 75 3HG1 VAL 75 -5.226 -7.650 -2.061 552 HG21 VAL 75 3HG2 VAL 75 -1.544 -7.806 -1.581 553 HG22 VAL 75 1HG2 VAL 75 -1.124 -8.136 -3.260 554 HG23 VAL 75 2HG2 VAL 75 -1.860 -9.398 -2.274 555 H ALA 76 H ALA 76 -4.697 -6.542 -5.387 556 HA ALA 76 HA ALA 76 -7.448 -6.887 -4.698 557 HB1 ALA 76 3HB ALA 76 -6.113 -5.045 -6.710 558 HB2 ALA 76 1HB ALA 76 -6.402 -4.679 -5.008 559 HB3 ALA 76 2HB ALA 76 -7.766 -4.895 -6.103 560 H GLN 77 H GLN 77 -5.486 -7.406 -7.605 561 HA GLN 77 HA GLN 77 -7.595 -8.050 -9.413 562 HB2 GLN 77 1HB GLN 77 -4.610 -8.602 -9.576 563 HB3 GLN 77 2HB GLN 77 -5.734 -8.931 -10.894 564 HG2 GLN 77 1HG GLN 77 -6.246 -6.588 -11.140 565 HG3 GLN 77 2HG GLN 77 -5.342 -6.180 -9.686 566 HE21 GLN 77 2HE2 GLN 77 -3.101 -7.991 -10.381 567 HE22 GLN 77 1HE2 GLN 77 -2.240 -7.184 -11.638 568 H LYS 78 H LYS 78 -5.720 -9.979 -7.180 569 HA LYS 78 HA LYS 78 -6.537 -12.556 -8.017 570 HB2 LYS 78 1HB LYS 78 -5.691 -11.466 -5.301 571 HB3 LYS 78 2HB LYS 78 -6.027 -13.174 -5.578 572 HG2 LYS 78 1HG LYS 78 -4.193 -13.348 -7.151 573 HG3 LYS 78 2HG LYS 78 -3.928 -11.607 -7.104 574 HD2 LYS 78 1HD LYS 78 -2.209 -12.658 -5.778 575 HD3 LYS 78 2HD LYS 78 -3.292 -11.803 -4.684 576 HE2 LYS 78 1HE LYS 78 -3.488 -14.790 -5.213 577 HE3 LYS 78 2HE LYS 78 -2.516 -14.106 -3.915 578 HZ1 LYS 78 3HZ LYS 78 -4.600 -13.073 -3.066 579 HZ2 LYS 78 1HZ LYS 78 -4.589 -14.760 -3.019 580 HZ3 LYS 78 2HZ LYS 78 -5.462 -13.960 -4.215 581 H HIS 79 H HIS 79 -8.254 -10.013 -6.359 582 HA HIS 79 HA HIS 79 -10.552 -11.797 -5.823 583 HB2 HIS 79 1HB HIS 79 -9.636 -10.414 -3.882 584 HB3 HIS 79 2HB HIS 79 -10.132 -8.967 -4.749 585 HD1 HIS 79 HD1 HIS 79 -12.569 -8.279 -4.523 586 HD2 HIS 79 HD2 HIS 79 -11.855 -12.076 -3.003 587 HE1 HIS 79 HE1 HIS 79 -14.709 -8.973 -3.430 588 HE2 HIS 79 HE2 HIS 79 -14.250 -11.260 -2.489 589 H GLY 80 H GLY 80 -9.593 -10.389 -8.477 590 HA2 GLY 80 1HA GLY 80 -10.872 -10.247 -10.366 591 HA3 GLY 80 2HA GLY 80 -12.323 -10.172 -9.380 592 H LEU 81 H LEU 81 -9.484 -8.079 -9.224 593 HA LEU 81 HA LEU 81 -10.912 -5.640 -9.198 594 HB2 LEU 81 1HB LEU 81 -8.535 -6.198 -8.362 595 HB3 LEU 81 2HB LEU 81 -8.004 -6.023 -10.011 596 HG LEU 81 HG LEU 81 -7.490 -4.068 -8.550 597 HD11 LEU 81 1HD1 LEU 81 -8.172 -2.289 -10.048 598 HD12 LEU 81 2HD1 LEU 81 -9.376 -3.343 -10.797 599 HD13 LEU 81 3HD1 LEU 81 -7.660 -3.711 -10.957 600 HD21 LEU 81 3HD2 LEU 81 -9.273 -2.598 -7.773 601 HD22 LEU 81 1HD2 LEU 81 -9.432 -4.218 -7.093 602 HD23 LEU 81 2HD2 LEU 81 -10.490 -3.707 -8.410 603 H HIS 82 H HIS 82 -9.207 -7.404 -11.741 604 HA HIS 82 HA HIS 82 -8.861 -7.190 -13.946 605 HB2 HIS 82 1HB HIS 82 -11.434 -5.557 -13.936 606 HB3 HIS 82 2HB HIS 82 -10.599 -6.087 -15.392 607 HD1 HIS 82 HD1 HIS 82 -11.188 -8.349 -16.249 608 HD2 HIS 82 HD2 HIS 82 -12.494 -7.787 -12.353 609 HE1 HIS 82 HE1 HIS 82 -12.655 -10.309 -15.742 610 HE2 HIS 82 HE2 HIS 82 -13.577 -9.843 -13.457 611 HA PRO 83 HA PRO 83 -5.876 -3.750 -13.586 612 HB2 PRO 83 1HB PRO 83 -5.990 -4.356 -16.560 613 HB3 PRO 83 2HB PRO 83 -4.580 -3.955 -15.563 614 HG2 PRO 83 1HG PRO 83 -5.152 -6.508 -16.173 615 HG3 PRO 83 2HG PRO 83 -4.515 -6.074 -14.573 616 HD2 PRO 83 1HD PRO 83 -7.241 -6.979 -15.319 617 HD3 PRO 83 2HD PRO 83 -6.450 -6.991 -13.729 618 H LYS 84 H LYS 84 -6.960 -1.889 -13.085 619 HA LYS 84 HA LYS 84 -9.216 -0.791 -14.254 620 HB2 LYS 84 1HB LYS 84 -8.473 -0.159 -12.003 621 HB3 LYS 84 2HB LYS 84 -7.018 0.585 -12.654 622 HG2 LYS 84 1HG LYS 84 -8.606 2.191 -13.917 623 HG3 LYS 84 2HG LYS 84 -9.876 1.580 -12.852 624 HD2 LYS 84 1HD LYS 84 -8.693 2.403 -10.886 625 HD3 LYS 84 2HD LYS 84 -7.284 2.834 -11.863 626 HE2 LYS 84 1HE LYS 84 -8.716 4.485 -13.100 627 HE3 LYS 84 2HE LYS 84 -10.034 4.119 -11.983 628 HZ1 LYS 84 3HZ LYS 84 -8.888 6.083 -11.302 629 HZ2 LYS 84 1HZ LYS 84 -7.400 5.278 -11.283 630 HZ3 LYS 84 2HZ LYS 84 -8.603 4.861 -10.172 631 H PHE 85 H PHE 85 -5.964 0.707 -14.485 632 HA PHE 85 HA PHE 85 -6.583 1.822 -17.125 633 HB2 PHE 85 1HB PHE 85 -5.360 3.175 -15.348 634 HB3 PHE 85 2HB PHE 85 -3.990 2.085 -15.523 635 HD1 PHE 85 HD2 PHE 85 -6.074 4.611 -17.292 636 HD2 PHE 85 HD1 PHE 85 -2.462 2.325 -17.398 637 HE1 PHE 85 HE2 PHE 85 -5.283 5.942 -19.203 638 HE2 PHE 85 HE1 PHE 85 -1.687 3.657 -19.309 639 HZ PHE 85 HZ PHE 85 -3.089 5.462 -20.216 640 H GLY 86 H GLY 86 -4.525 -0.572 -15.557 641 HA2 GLY 86 1HA GLY 86 -3.889 -2.633 -16.518 642 HA3 GLY 86 2HA GLY 86 -4.018 -1.932 -18.124 643 H ALA 87 H ALA 87 -2.340 -0.581 -18.888 644 HA ALA 87 HA ALA 87 0.291 -1.242 -17.863 645 HB1 ALA 87 3HB ALA 87 -0.503 0.500 -20.231 646 HB2 ALA 87 1HB ALA 87 -0.111 -1.221 -20.293 647 HB3 ALA 87 2HB ALA 87 1.132 -0.051 -19.851 648 H ILE 88 H ILE 88 0.307 -0.208 -15.839 649 HA ILE 88 HA ILE 88 -0.206 2.522 -15.321 650 HB ILE 88 HB ILE 88 -0.051 0.756 -13.553 651 HG12 ILE 88 1HG1 ILE 88 1.862 3.105 -13.092 652 HG13 ILE 88 2HG1 ILE 88 0.116 3.152 -12.886 653 HG21 ILE 88 1HG2 ILE 88 2.958 0.848 -14.026 654 HG22 ILE 88 2HG2 ILE 88 1.883 -0.504 -14.384 655 HG23 ILE 88 3HG2 ILE 88 2.152 -0.016 -12.712 656 HD11 ILE 88 3HD1 ILE 88 0.308 1.550 -11.031 657 HD12 ILE 88 1HD1 ILE 88 1.245 3.020 -10.757 658 HD13 ILE 88 2HD1 ILE 88 2.061 1.537 -11.244 659 H THR 89 H THR 89 2.470 0.921 -16.786 660 HA THR 89 HA THR 89 4.538 2.813 -16.523 661 HB THR 89 HB THR 89 5.473 1.607 -18.591 662 HG1 THR 89 HG1 THR 89 3.762 -0.486 -18.396 663 HG21 THR 89 3HG2 THR 89 5.898 -0.505 -17.382 664 HG22 THR 89 1HG2 THR 89 4.612 -0.120 -16.236 665 HG23 THR 89 2HG2 THR 89 6.067 0.877 -16.298 666 H ARG 90 H ARG 90 1.732 2.790 -18.606 667 HA ARG 90 HA ARG 90 2.679 4.794 -20.456 668 HB2 ARG 90 1HB ARG 90 -0.103 3.709 -19.863 669 HB3 ARG 90 2HB ARG 90 0.195 4.950 -21.074 670 HG2 ARG 90 1HG ARG 90 1.371 2.150 -21.128 671 HG3 ARG 90 2HG ARG 90 -0.044 2.679 -22.044 672 HD2 ARG 90 1HD ARG 90 2.795 3.725 -22.340 673 HD3 ARG 90 2HD ARG 90 1.928 2.689 -23.478 674 HE ARG 90 HE ARG 90 0.460 5.072 -23.066 675 HH11 ARG 90 1HH1 ARG 90 3.364 3.948 -24.715 676 HH12 ARG 90 2HH1 ARG 90 3.359 5.263 -25.843 677 HH21 ARG 90 1HH2 ARG 90 0.487 6.771 -24.560 678 HH22 ARG 90 2HH2 ARG 90 1.734 6.847 -25.763 679 H VAL 91 H VAL 91 -0.168 5.049 -18.316 680 HA VAL 91 HA VAL 91 0.673 7.776 -17.490 681 HB VAL 91 HB VAL 91 -2.201 6.799 -17.896 682 HG11 VAL 91 1HG1 VAL 91 -1.184 9.599 -17.256 683 HG12 VAL 91 2HG1 VAL 91 -2.052 8.529 -16.154 684 HG13 VAL 91 3HG1 VAL 91 -2.864 9.160 -17.585 685 HG21 VAL 91 3HG2 VAL 91 -2.303 8.308 -19.864 686 HG22 VAL 91 1HG2 VAL 91 -1.094 7.038 -20.083 687 HG23 VAL 91 2HG2 VAL 91 -0.586 8.679 -19.676 688 H HIS 92 H HIS 92 0.051 8.371 -15.328 689 HA HIS 92 HA HIS 92 0.180 8.095 -13.114 690 HB2 HIS 92 1HB HIS 92 -1.383 5.537 -13.632 691 HB3 HIS 92 2HB HIS 92 -0.960 6.084 -12.011 692 HD1 HIS 92 HD1 HIS 92 -3.806 6.064 -13.975 693 HD2 HIS 92 HD2 HIS 92 -1.816 9.126 -11.992 694 HE1 HIS 92 HE1 HIS 92 -5.506 7.887 -13.654 695 HE2 HIS 92 HE2 HIS 92 -4.246 9.767 -12.555 696 H LYS 93 H LYS 93 2.247 7.372 -14.836 697 HA LYS 93 HA LYS 93 3.766 5.188 -13.657 698 HB2 LYS 93 1HB LYS 93 3.835 5.745 -16.099 699 HB3 LYS 93 2HB LYS 93 4.508 7.323 -15.723 700 HG2 LYS 93 1HG LYS 93 6.186 5.693 -16.573 701 HG3 LYS 93 2HG LYS 93 6.585 6.336 -14.981 702 HD2 LYS 93 1HD LYS 93 5.914 4.273 -13.897 703 HD3 LYS 93 2HD LYS 93 5.242 3.642 -15.402 704 HE2 LYS 93 1HE LYS 93 7.402 2.602 -14.939 705 HE3 LYS 93 2HE LYS 93 7.513 3.598 -16.389 706 HZ1 LYS 93 3HZ LYS 93 8.466 5.364 -14.944 707 HZ2 LYS 93 1HZ LYS 93 9.421 3.974 -15.072 708 HZ3 LYS 93 2HZ LYS 93 8.513 4.244 -13.677 709 H GLU 94 H GLU 94 2.895 7.134 -11.817 710 HA GLU 94 HA GLU 94 5.180 8.737 -10.951 711 HB2 GLU 94 1HB GLU 94 2.348 8.494 -9.835 712 HB3 GLU 94 2HB GLU 94 3.545 9.701 -9.362 713 HG2 GLU 94 1HG GLU 94 3.444 10.754 -11.549 714 HG3 GLU 94 2HG GLU 94 2.428 9.460 -12.183 715 H TYR 95 H TYR 95 5.076 5.768 -10.971 716 HA TYR 95 HA TYR 95 5.014 4.636 -8.411 717 HB2 TYR 95 1HB TYR 95 5.150 3.308 -10.494 718 HB3 TYR 95 2HB TYR 95 6.749 3.950 -10.838 719 HD1 TYR 95 HD1 TYR 95 8.729 3.186 -9.474 720 HD2 TYR 95 HD2 TYR 95 4.858 1.474 -8.909 721 HE1 TYR 95 HE1 TYR 95 9.741 1.300 -8.269 722 HE2 TYR 95 HE2 TYR 95 5.874 -0.405 -7.708 723 HH TYR 95 HH TYR 95 8.971 -0.382 -6.522 724 H ASP 96 H ASP 96 7.428 6.505 -10.118 725 HA ASP 96 HA ASP 96 9.638 6.219 -8.369 726 HB2 ASP 96 1HB ASP 96 10.494 8.314 -9.462 727 HB3 ASP 96 2HB ASP 96 9.983 7.084 -10.609 728 H ALA 97 H ALA 97 6.844 8.366 -8.369 729 HA ALA 97 HA ALA 97 7.719 10.147 -6.324 730 HB1 ALA 97 3HB ALA 97 5.374 10.916 -6.287 731 HB2 ALA 97 1HB ALA 97 4.905 9.544 -7.299 732 HB3 ALA 97 2HB ALA 97 5.984 10.786 -7.937 733 H MET 98 H MET 98 5.380 7.402 -6.278 734 HA MET 98 HA MET 98 4.981 7.210 -3.530 735 HB2 MET 98 1HB MET 98 4.887 5.091 -5.705 736 HB3 MET 98 2HB MET 98 4.402 4.766 -4.044 737 HG2 MET 98 1HG MET 98 3.122 6.722 -5.955 738 HG3 MET 98 2HG MET 98 2.441 5.209 -5.356 739 HE1 MET 98 3HE MET 98 3.417 5.501 -2.148 740 HE2 MET 98 1HE MET 98 1.840 4.868 -2.628 741 HE3 MET 98 2HE MET 98 1.943 6.200 -1.479 742 H PHE 99 H PHE 99 7.329 5.471 -5.468 743 HA PHE 99 HA PHE 99 8.842 4.068 -3.655 744 HB2 PHE 99 1HB PHE 99 9.342 4.098 -6.102 745 HB3 PHE 99 2HB PHE 99 9.993 5.724 -5.960 746 HD1 PHE 99 HD1 PHE 99 12.190 6.083 -4.705 747 HD2 PHE 99 HD2 PHE 99 10.700 2.158 -5.547 748 HE1 PHE 99 HE1 PHE 99 14.416 5.138 -4.250 749 HE2 PHE 99 HE2 PHE 99 12.938 1.224 -5.092 750 HZ PHE 99 HZ PHE 99 14.793 2.712 -4.445 751 H GLU 100 H GLU 100 9.055 7.532 -4.385 752 HA GLU 100 HA GLU 100 11.162 7.993 -2.466 753 HB2 GLU 100 1HB GLU 100 9.747 9.857 -4.364 754 HB3 GLU 100 2HB GLU 100 10.865 10.443 -3.137 755 HG2 GLU 100 1HG GLU 100 12.347 8.422 -4.356 756 HG3 GLU 100 2HG GLU 100 11.439 9.092 -5.707 757 H ASP 101 H ASP 101 7.738 8.216 -2.478 758 HA ASP 101 HA ASP 101 7.333 9.986 -0.297 759 HB2 ASP 101 1HB ASP 101 5.538 9.506 -1.884 760 HB3 ASP 101 2HB ASP 101 5.603 7.787 -1.510 761 H ILE 102 H ILE 102 6.956 6.435 -0.447 762 HA ILE 102 HA ILE 102 7.034 5.908 2.277 763 HB ILE 102 HB ILE 102 7.675 4.140 -0.109 764 HG12 ILE 102 1HG1 ILE 102 5.263 4.466 1.735 765 HG13 ILE 102 2HG1 ILE 102 5.347 4.808 0.012 766 HG21 ILE 102 1HG2 ILE 102 7.465 3.169 2.770 767 HG22 ILE 102 2HG2 ILE 102 8.929 3.176 1.789 768 HG23 ILE 102 3HG2 ILE 102 7.579 2.139 1.338 769 HD11 ILE 102 3HD1 ILE 102 4.071 2.820 0.404 770 HD12 ILE 102 1HD1 ILE 102 5.389 2.091 1.322 771 HD13 ILE 102 2HD1 ILE 102 5.571 2.384 -0.411 772 H ARG 103 H ARG 103 9.799 6.086 0.033 773 HA ARG 103 HA ARG 103 11.765 5.159 1.917 774 HB2 ARG 103 1HB ARG 103 13.481 5.693 0.396 775 HB3 ARG 103 2HB ARG 103 12.110 5.292 -0.614 776 HG2 ARG 103 1HG ARG 103 12.878 7.123 -1.747 777 HG3 ARG 103 2HG ARG 103 11.765 7.922 -0.640 778 HD2 ARG 103 1HD ARG 103 13.671 8.440 0.860 779 HD3 ARG 103 2HD ARG 103 14.753 7.670 -0.299 780 HE ARG 103 HE ARG 103 13.365 9.607 -1.714 781 HH11 ARG 103 1HH1 ARG 103 15.650 9.529 0.950 782 HH12 ARG 103 2HH1 ARG 103 16.205 11.148 0.674 783 HH21 ARG 103 1HH2 ARG 103 14.102 11.724 -2.063 784 HH22 ARG 103 2HH2 ARG 103 15.333 12.389 -1.029 785 H ALA 104 H ALA 104 10.261 8.242 1.407 786 HA ALA 104 HA ALA 104 12.137 9.889 2.831 787 HB1 ALA 104 3HB ALA 104 10.604 10.835 1.143 788 HB2 ALA 104 1HB ALA 104 10.392 11.613 2.713 789 HB3 ALA 104 2HB ALA 104 9.220 10.414 2.153 790 H LYS 105 H LYS 105 8.909 8.499 3.626 791 HA LYS 105 HA LYS 105 8.937 9.252 6.337 792 HB2 LYS 105 1HB LYS 105 7.080 8.208 4.544 793 HB3 LYS 105 2HB LYS 105 7.313 6.856 5.638 794 HG2 LYS 105 1HG LYS 105 6.508 9.664 6.460 795 HG3 LYS 105 2HG LYS 105 5.406 8.299 6.266 796 HD2 LYS 105 1HD LYS 105 6.477 7.111 8.101 797 HD3 LYS 105 2HD LYS 105 7.709 8.365 8.251 798 HE2 LYS 105 1HE LYS 105 5.924 8.499 9.974 799 HE3 LYS 105 2HE LYS 105 6.073 9.965 9.005 800 HZ1 LYS 105 3HZ LYS 105 3.756 9.209 9.405 801 HZ2 LYS 105 1HZ LYS 105 4.073 7.840 8.472 802 HZ3 LYS 105 2HZ LYS 105 4.142 9.378 7.770 803 H LEU 106 H LEU 106 10.131 6.354 4.730 804 HA LEU 106 HA LEU 106 10.817 4.796 6.969 805 HB2 LEU 106 1HB LEU 106 11.668 4.899 4.094 806 HB3 LEU 106 2HB LEU 106 12.767 4.059 5.166 807 HG LEU 106 HG LEU 106 11.229 2.312 5.608 808 HD11 LEU 106 1HD1 LEU 106 8.852 2.320 5.009 809 HD12 LEU 106 2HD1 LEU 106 8.994 3.989 4.457 810 HD13 LEU 106 3HD1 LEU 106 9.249 3.594 6.156 811 HD21 LEU 106 3HD2 LEU 106 10.553 1.464 3.408 812 HD22 LEU 106 1HD2 LEU 106 12.154 2.197 3.330 813 HD23 LEU 106 2HD2 LEU 106 10.755 3.072 2.706 814 H HIS 107 H HIS 107 12.320 7.596 5.630 815 HA HIS 107 HA HIS 107 14.833 7.512 7.035 816 HB2 HIS 107 1HB HIS 107 14.587 8.832 4.991 817 HB3 HIS 107 2HB HIS 107 13.323 9.806 5.716 818 HD1 HIS 107 HD1 HIS 107 17.060 9.171 6.096 819 HD2 HIS 107 HD2 HIS 107 14.225 12.110 6.894 820 HE1 HIS 107 HE1 HIS 107 18.370 11.197 6.809 821 HE2 HIS 107 HE2 HIS 107 16.626 12.910 7.415 822 H ALA 108 H ALA 108 11.642 8.125 7.974 823 HA ALA 108 HA ALA 108 10.601 8.455 9.938 824 HB1 ALA 108 3HB ALA 108 12.503 7.378 11.088 825 HB2 ALA 108 1HB ALA 108 11.776 8.658 12.064 826 HB3 ALA 108 2HB ALA 108 13.302 8.945 11.225 827 H HIS 109 H HIS 109 11.975 10.648 8.134 828 HA HIS 109 HA HIS 109 10.294 12.784 9.138 829 HB2 HIS 109 1HB HIS 109 13.311 13.116 8.812 830 HB3 HIS 109 2HB HIS 109 12.221 14.487 8.649 831 HD1 HIS 109 HD1 HIS 109 14.176 12.731 11.125 832 HD2 HIS 109 HD2 HIS 109 10.628 14.893 11.129 833 HE1 HIS 109 HE1 HIS 109 13.778 13.378 13.514 834 HE2 HIS 109 HE2 HIS 109 11.575 14.583 13.507 835 HA PRO 110 HA PRO 110 9.398 12.389 4.857 836 HB2 PRO 110 1HB PRO 110 7.929 14.626 4.327 837 HB3 PRO 110 2HB PRO 110 7.338 13.338 5.386 838 HG2 PRO 110 1HG PRO 110 8.624 15.962 6.137 839 HG3 PRO 110 2HG PRO 110 7.176 15.190 6.822 840 HD2 PRO 110 1HD PRO 110 9.626 15.022 8.023 841 HD3 PRO 110 2HD PRO 110 8.422 13.721 8.138 842 H GLY 111 H GLY 111 11.672 12.510 4.237 843 HA2 GLY 111 1HA GLY 111 12.701 15.001 3.085 844 HA3 GLY 111 2HA GLY 111 13.506 13.435 3.134 845 H GLU 112 H GLU 112 10.448 14.679 1.851 846 HA GLU 112 HA GLU 112 10.635 12.937 -0.496 847 HB2 GLU 112 1HB GLU 112 8.228 13.554 -0.804 848 HB3 GLU 112 2HB GLU 112 8.550 12.840 0.773 849 HG2 GLU 112 1HG GLU 112 8.602 15.170 1.739 850 HG3 GLU 112 2HG GLU 112 8.093 15.781 0.167 851 HA PRO 113 HA PRO 113 11.898 16.368 -3.117 852 HB2 PRO 113 1HB PRO 113 11.112 15.442 -5.575 853 HB3 PRO 113 2HB PRO 113 12.470 14.736 -4.686 854 HG2 PRO 113 1HG PRO 113 9.609 13.778 -4.825 855 HG3 PRO 113 2HG PRO 113 11.109 12.843 -5.035 856 HD2 PRO 113 1HD PRO 113 9.778 12.852 -2.683 857 HD3 PRO 113 2HD PRO 113 11.555 12.796 -2.736 858 H VAL 114 H VAL 114 10.988 18.318 -3.439 859 HA VAL 114 HA VAL 114 8.129 18.699 -3.601 860 HB VAL 114 HB VAL 114 9.712 20.290 -2.414 861 HG11 VAL 114 1HG1 VAL 114 10.948 22.015 -3.628 862 HG12 VAL 114 2HG1 VAL 114 10.487 21.288 -5.170 863 HG13 VAL 114 3HG1 VAL 114 11.538 20.406 -4.061 864 HG21 VAL 114 3HG2 VAL 114 8.521 22.369 -3.101 865 HG22 VAL 114 1HG2 VAL 114 7.447 20.989 -2.860 866 HG23 VAL 114 2HG2 VAL 114 7.872 21.499 -4.493 867 H ASP 115 H ASP 115 6.948 18.783 -5.489 868 HA ASP 115 HA ASP 115 8.282 17.781 -7.842 869 HB2 ASP 115 1HB ASP 115 6.123 16.835 -7.167 870 HB3 ASP 115 2HB ASP 115 5.347 18.400 -7.363 871 H LEU 116 H LEU 116 7.219 20.946 -6.818 872 HA LEU 116 HA LEU 116 6.732 22.139 -9.320 873 HB2 LEU 116 1HB LEU 116 7.127 24.331 -8.214 874 HB3 LEU 116 2HB LEU 116 6.041 23.284 -7.332 875 HG LEU 116 HG LEU 116 8.097 22.728 -5.824 876 HD11 LEU 116 1HD1 LEU 116 9.166 25.292 -7.032 877 HD12 LEU 116 2HD1 LEU 116 9.892 23.689 -7.153 878 HD13 LEU 116 3HD1 LEU 116 9.796 24.491 -5.589 879 HD21 LEU 116 3HD2 LEU 116 6.848 25.494 -5.697 880 HD22 LEU 116 1HD2 LEU 116 7.650 24.656 -4.363 881 HD23 LEU 116 2HD2 LEU 116 6.162 24.006 -5.042 882 H GLU 117 H GLU 117 9.689 21.260 -7.778 883 HA GLU 117 HA GLU 117 11.568 22.803 -9.206 884 HB2 GLU 117 1HB GLU 117 12.059 21.549 -7.095 885 HB3 GLU 117 2HB GLU 117 11.923 20.032 -7.968 886 HG2 GLU 117 1HG GLU 117 14.267 20.598 -7.629 887 HG3 GLU 117 2HG GLU 117 13.883 20.652 -9.349 888 H ARG 118 H ARG 118 9.863 19.838 -9.965 889 HA ARG 118 HA ARG 118 11.591 18.819 -11.988 890 HB2 ARG 118 1HB ARG 118 10.115 17.356 -10.690 891 HB3 ARG 118 2HB ARG 118 8.685 18.199 -11.267 892 HG2 ARG 118 1HG ARG 118 8.969 15.991 -12.332 893 HG3 ARG 118 2HG ARG 118 9.027 17.289 -13.523 894 HD2 ARG 118 1HD ARG 118 11.379 17.041 -13.831 895 HD3 ARG 118 2HD ARG 118 11.552 16.088 -12.354 896 HE ARG 118 HE ARG 118 9.947 14.500 -13.773 897 HH11 ARG 118 1HH1 ARG 118 12.844 16.159 -14.873 898 HH12 ARG 118 2HH1 ARG 118 13.305 14.874 -15.940 899 HH21 ARG 118 1HH2 ARG 118 10.588 12.829 -15.145 900 HH22 ARG 118 2HH2 ARG 118 12.040 12.986 -16.084 901 H ILE 119 H ILE 119 8.997 21.136 -11.963 902 HA ILE 119 HA ILE 119 8.372 21.039 -14.777 903 HB ILE 119 HB ILE 119 7.632 23.056 -12.604 904 HG12 ILE 119 1HG1 ILE 119 5.277 22.140 -13.055 905 HG13 ILE 119 2HG1 ILE 119 6.010 20.912 -14.070 906 HG21 ILE 119 1HG2 ILE 119 6.058 24.102 -14.236 907 HG22 ILE 119 2HG2 ILE 119 6.737 23.096 -15.519 908 HG23 ILE 119 3HG2 ILE 119 7.746 24.299 -14.714 909 HD11 ILE 119 3HD1 ILE 119 5.428 20.028 -11.919 910 HD12 ILE 119 1HD1 ILE 119 6.398 21.256 -11.108 911 HD13 ILE 119 2HD1 ILE 119 7.180 20.026 -12.105 912 H ILE 120 H ILE 120 10.009 23.509 -12.724 913 HA ILE 120 HA ILE 120 11.585 24.391 -15.092 914 HB ILE 120 HB ILE 120 10.616 26.048 -12.717 915 HG12 ILE 120 1HG1 ILE 120 10.040 26.311 -15.714 916 HG13 ILE 120 2HG1 ILE 120 8.923 25.668 -14.516 917 HG21 ILE 120 1HG2 ILE 120 12.512 26.924 -14.936 918 HG22 ILE 120 2HG2 ILE 120 12.920 26.737 -13.231 919 HG23 ILE 120 3HG2 ILE 120 11.793 27.996 -13.731 920 HD11 ILE 120 3HD1 ILE 120 8.343 27.923 -15.143 921 HD12 ILE 120 1HD1 ILE 120 9.933 28.506 -14.655 922 HD13 ILE 120 2HD1 ILE 120 8.815 27.865 -13.446 923 H ARG 121 H ARG 121 13.394 23.215 -14.864 924 HA ARG 121 HA ARG 121 14.919 23.284 -12.329 925 HB2 ARG 121 1HB ARG 121 15.310 21.554 -14.820 926 HB3 ARG 121 2HB ARG 121 16.333 21.502 -13.386 927 HG2 ARG 121 1HG ARG 121 14.342 20.813 -12.042 928 HG3 ARG 121 2HG ARG 121 13.396 20.755 -13.530 929 HD2 ARG 121 1HD ARG 121 15.852 19.076 -12.929 930 HD3 ARG 121 2HD ARG 121 14.180 18.523 -12.830 931 HE ARG 121 HE ARG 121 14.203 19.264 -15.345 932 HH11 ARG 121 1HH1 ARG 121 16.783 17.591 -13.657 933 HH12 ARG 121 2HH1 ARG 121 17.284 16.710 -15.063 934 HH21 ARG 121 1HH2 ARG 121 14.863 18.080 -17.163 935 HH22 ARG 121 2HH2 ARG 121 16.210 16.989 -17.040 936 H HIS 122 H HIS 122 15.505 23.542 -15.856 937 HA HIS 122 HA HIS 122 17.100 25.910 -15.724 938 HB2 HIS 122 1HB HIS 122 18.742 24.305 -14.755 939 HB3 HIS 122 2HB HIS 122 18.559 23.247 -16.146 940 HD1 HIS 122 HD1 HIS 122 19.772 26.779 -15.384 941 HD2 HIS 122 HD2 HIS 122 20.419 23.705 -18.105 942 HE1 HIS 122 HE1 HIS 122 21.726 27.512 -16.777 943 HE2 HIS 122 HE2 HIS 122 22.195 25.565 -18.302 944 H GLU 123 H GLU 123 17.539 26.721 -17.807 945 HA GLU 123 HA GLU 123 16.037 25.768 -20.026 946 HB2 GLU 123 1HB GLU 123 18.379 27.728 -20.000 947 HB3 GLU 123 2HB GLU 123 17.245 27.513 -21.327 948 HG2 GLU 123 1HG GLU 123 16.527 28.557 -18.566 949 HG3 GLU 123 2HG GLU 123 16.820 29.557 -19.987 950 H GLY 124 H GLY 124 16.530 23.784 -20.836 951 HA2 GLY 124 1HA GLY 124 19.010 22.466 -20.828 952 HA3 GLY 124 2HA GLY 124 17.627 22.037 -21.822 953 H SER 125 H SER 125 17.636 24.701 -23.142 954 HA SER 125 HA SER 125 19.698 24.255 -25.163 955 HB2 SER 125 1HB SER 125 17.457 26.329 -25.039 956 HB3 SER 125 2HB SER 125 18.470 25.968 -26.444 957 HG SER 125 HG SER 125 17.145 23.829 -25.256 Start of MODEL 5 1 H1 GLN 1 1H GLN 1 -3.971 7.946 -11.628 2 H2 GLN 1 2H GLN 1 -4.332 8.280 -13.233 3 H3 GLN 1 3H GLN 1 -5.084 6.994 -12.455 4 HA GLN 1 HA GLN 1 -5.380 9.848 -11.777 5 HB2 GLN 1 1HB GLN 1 -7.289 7.904 -13.156 6 HB3 GLN 1 2HB GLN 1 -7.810 9.442 -12.482 7 HG2 GLN 1 1HG GLN 1 -7.529 9.661 -14.880 8 HG3 GLN 1 2HG GLN 1 -6.331 10.647 -14.052 9 HE21 GLN 1 2HE2 GLN 1 -4.147 10.115 -14.248 10 HE22 GLN 1 1HE2 GLN 1 -3.569 8.968 -15.406 11 H GLY 2 H GLY 2 -4.584 9.024 -9.682 12 HA2 GLY 2 1HA GLY 2 -6.290 7.399 -8.008 13 HA3 GLY 2 2HA GLY 2 -4.875 8.322 -7.513 14 H HIS 3 H HIS 3 -8.265 8.230 -7.496 15 HA HIS 3 HA HIS 3 -8.943 10.965 -7.746 16 HB2 HIS 3 1HB HIS 3 -10.485 8.909 -7.984 17 HB3 HIS 3 2HB HIS 3 -10.583 8.897 -6.228 18 HD1 HIS 3 HD1 HIS 3 -12.939 9.690 -5.805 19 HD2 HIS 3 HD2 HIS 3 -10.985 12.054 -8.607 20 HE1 HIS 3 HE1 HIS 3 -14.515 11.570 -6.323 21 HE2 HIS 3 HE2 HIS 3 -13.382 12.887 -8.131 22 H MET 4 H MET 4 -8.404 8.895 -4.886 23 HA MET 4 HA MET 4 -7.852 11.342 -3.296 24 HB2 MET 4 1HB MET 4 -9.170 8.763 -2.326 25 HB3 MET 4 2HB MET 4 -8.569 10.022 -1.253 26 HG2 MET 4 1HG MET 4 -10.176 11.618 -2.270 27 HG3 MET 4 2HG MET 4 -10.805 10.308 -3.271 28 HE1 MET 4 3HE MET 4 -9.625 10.098 0.516 29 HE2 MET 4 1HE MET 4 -11.154 10.414 1.339 30 HE3 MET 4 2HE MET 4 -10.388 11.685 0.386 31 H PHE 5 H PHE 5 -5.663 11.293 -3.683 32 HA PHE 5 HA PHE 5 -4.158 9.138 -2.306 33 HB2 PHE 5 1HB PHE 5 -3.478 9.168 -4.641 34 HB3 PHE 5 2HB PHE 5 -3.319 10.922 -4.638 35 HD1 PHE 5 HD1 PHE 5 -1.993 8.140 -2.441 36 HD2 PHE 5 HD2 PHE 5 -1.069 11.571 -4.824 37 HE1 PHE 5 HE1 PHE 5 0.382 7.921 -1.856 38 HE2 PHE 5 HE2 PHE 5 1.309 11.329 -4.246 39 HZ PHE 5 HZ PHE 5 2.034 9.512 -2.755 40 H GLU 6 H GLU 6 -3.242 9.760 -0.476 41 HA GLU 6 HA GLU 6 -2.365 12.516 -0.001 42 HB2 GLU 6 1HB GLU 6 -3.517 12.533 2.224 43 HB3 GLU 6 2HB GLU 6 -4.659 12.422 0.888 44 HG2 GLU 6 1HG GLU 6 -4.749 9.927 1.273 45 HG3 GLU 6 2HG GLU 6 -3.781 10.168 2.723 46 HA PRO 7 HA PRO 7 1.182 10.490 1.906 47 HB2 PRO 7 1HB PRO 7 1.662 12.198 4.081 48 HB3 PRO 7 2HB PRO 7 2.223 12.468 2.428 49 HG2 PRO 7 1HG PRO 7 -0.193 13.604 3.818 50 HG3 PRO 7 2HG PRO 7 0.957 14.408 2.726 51 HD2 PRO 7 1HD PRO 7 -1.468 13.617 1.861 52 HD3 PRO 7 2HD PRO 7 -0.042 13.494 0.804 53 H GLY 8 H GLY 8 0.600 8.544 2.742 54 HA2 GLY 8 1HA GLY 8 0.585 7.313 4.869 55 HA3 GLY 8 2HA GLY 8 -0.658 8.411 5.444 56 H HIS 9 H HIS 9 -1.800 8.190 2.515 57 HA HIS 9 HA HIS 9 -3.088 5.581 2.663 58 HB2 HIS 9 1HB HIS 9 -4.377 6.682 4.366 59 HB3 HIS 9 2HB HIS 9 -4.520 8.154 3.417 60 HD1 HIS 9 HD1 HIS 9 -6.600 8.406 2.064 61 HD2 HIS 9 HD2 HIS 9 -6.014 4.475 3.285 62 HE1 HIS 9 HE1 HIS 9 -8.679 7.180 1.402 63 HE2 HIS 9 HE2 HIS 9 -8.401 4.884 2.384 64 H LEU 10 H LEU 10 -3.298 4.930 0.619 65 HA LEU 10 HA LEU 10 -4.226 6.780 -1.496 66 HB2 LEU 10 1HB LEU 10 -2.298 5.371 -2.119 67 HB3 LEU 10 2HB LEU 10 -3.163 3.925 -1.624 68 HG LEU 10 HG LEU 10 -4.845 4.382 -3.479 69 HD11 LEU 10 1HD1 LEU 10 -4.470 6.777 -3.800 70 HD12 LEU 10 2HD1 LEU 10 -4.217 5.902 -5.308 71 HD13 LEU 10 3HD1 LEU 10 -2.828 6.465 -4.377 72 HD21 LEU 10 3HD2 LEU 10 -3.092 2.702 -3.769 73 HD22 LEU 10 1HD2 LEU 10 -1.980 3.929 -4.363 74 HD23 LEU 10 2HD2 LEU 10 -3.422 3.519 -5.290 75 H HIS 11 H HIS 11 -6.273 6.421 -2.457 76 HA HIS 11 HA HIS 11 -7.820 4.029 -1.605 77 HB2 HIS 11 1HB HIS 11 -8.736 6.254 -0.773 78 HB3 HIS 11 2HB HIS 11 -8.957 6.745 -2.445 79 HD1 HIS 11 HD1 HIS 11 -11.468 6.945 -1.126 80 HD2 HIS 11 HD2 HIS 11 -10.169 3.191 -2.362 81 HE1 HIS 11 HE1 HIS 11 -13.514 5.494 -1.167 82 HE2 HIS 11 HE2 HIS 11 -12.726 3.280 -2.046 83 H LEU 12 H LEU 12 -7.889 2.602 -3.294 84 HA LEU 12 HA LEU 12 -7.651 3.506 -6.071 85 HB2 LEU 12 1HB LEU 12 -7.792 0.739 -4.809 86 HB3 LEU 12 2HB LEU 12 -7.814 0.987 -6.543 87 HG LEU 12 HG LEU 12 -5.512 1.728 -4.695 88 HD11 LEU 12 1HD1 LEU 12 -5.741 -0.718 -4.952 89 HD12 LEU 12 2HD1 LEU 12 -4.305 -0.133 -5.789 90 HD13 LEU 12 3HD1 LEU 12 -5.752 -0.548 -6.710 91 HD21 LEU 12 3HD2 LEU 12 -4.260 2.186 -6.780 92 HD22 LEU 12 1HD2 LEU 12 -5.647 3.264 -6.614 93 HD23 LEU 12 2HD2 LEU 12 -5.718 1.896 -7.728 94 H VAL 13 H VAL 13 -9.528 4.333 -6.763 95 HA VAL 13 HA VAL 13 -11.895 2.536 -6.772 96 HB VAL 13 HB VAL 13 -13.335 4.575 -7.080 97 HG11 VAL 13 1HG1 VAL 13 -13.171 3.601 -4.844 98 HG12 VAL 13 2HG1 VAL 13 -13.328 5.354 -4.738 99 HG13 VAL 13 3HG1 VAL 13 -11.755 4.592 -4.486 100 HG21 VAL 13 3HG2 VAL 13 -12.436 6.827 -6.554 101 HG22 VAL 13 1HG2 VAL 13 -11.641 6.134 -7.969 102 HG23 VAL 13 2HG2 VAL 13 -10.813 6.155 -6.412 103 H SER 14 H SER 14 -13.211 2.786 -8.880 104 HA SER 14 HA SER 14 -11.906 4.420 -10.910 105 HB2 SER 14 1HB SER 14 -11.447 1.921 -11.298 106 HB3 SER 14 2HB SER 14 -13.188 1.708 -11.478 107 HG SER 14 HG SER 14 -11.874 2.095 -13.447 108 H LEU 15 H LEU 15 -13.663 5.041 -12.564 109 HA LEU 15 HA LEU 15 -15.622 6.413 -11.162 110 HB2 LEU 15 1HB LEU 15 -16.629 6.989 -13.354 111 HB3 LEU 15 2HB LEU 15 -14.906 7.264 -13.243 112 HG LEU 15 HG LEU 15 -14.967 4.738 -14.397 113 HD11 LEU 15 1HD1 LEU 15 -17.313 6.223 -15.610 114 HD12 LEU 15 2HD1 LEU 15 -17.395 4.729 -14.674 115 HD13 LEU 15 3HD1 LEU 15 -16.581 4.741 -16.237 116 HD21 LEU 15 3HD2 LEU 15 -13.559 6.594 -15.109 117 HD22 LEU 15 1HD2 LEU 15 -14.947 7.384 -15.862 118 HD23 LEU 15 2HD2 LEU 15 -14.352 5.843 -16.493 119 HA PRO 16 HA PRO 16 -18.230 3.164 -9.909 120 HB2 PRO 16 1HB PRO 16 -20.273 4.550 -8.744 121 HB3 PRO 16 2HB PRO 16 -18.622 4.627 -8.107 122 HG2 PRO 16 1HG PRO 16 -19.996 6.559 -9.996 123 HG3 PRO 16 2HG PRO 16 -19.127 6.918 -8.485 124 HD2 PRO 16 1HD PRO 16 -17.931 7.172 -10.888 125 HD3 PRO 16 2HD PRO 16 -17.025 6.584 -9.474 126 H GLY 17 H GLY 17 -20.186 2.008 -10.269 127 HA2 GLY 17 1HA GLY 17 -22.519 2.664 -11.452 128 HA3 GLY 17 2HA GLY 17 -21.460 2.506 -12.850 129 H LEU 18 H LEU 18 -20.170 0.357 -10.781 130 HA LEU 18 HA LEU 18 -20.193 -1.864 -10.427 131 HB2 LEU 18 1HB LEU 18 -23.108 -1.814 -11.303 132 HB3 LEU 18 2HB LEU 18 -22.300 -3.212 -10.616 133 HG LEU 18 HG LEU 18 -22.724 -0.583 -9.125 134 HD11 LEU 18 1HD1 LEU 18 -24.298 -3.163 -8.884 135 HD12 LEU 18 2HD1 LEU 18 -24.885 -1.643 -9.564 136 HD13 LEU 18 3HD1 LEU 18 -24.478 -1.740 -7.852 137 HD21 LEU 18 3HD2 LEU 18 -22.094 -1.862 -7.117 138 HD22 LEU 18 1HD2 LEU 18 -20.784 -1.835 -8.292 139 HD23 LEU 18 2HD2 LEU 18 -21.770 -3.285 -8.108 140 H ASP 19 H ASP 19 -21.837 -1.042 -13.476 141 HA ASP 19 HA ASP 19 -21.336 -3.370 -14.924 142 HB2 ASP 19 1HB ASP 19 -23.093 -1.731 -15.479 143 HB3 ASP 19 2HB ASP 19 -21.871 -0.526 -15.868 144 H GLN 20 H GLN 20 -19.354 -0.536 -14.394 145 HA GLN 20 HA GLN 20 -17.392 -1.165 -16.450 146 HB2 GLN 20 1HB GLN 20 -17.144 0.851 -14.178 147 HB3 GLN 20 2HB GLN 20 -16.148 0.759 -15.625 148 HG2 GLN 20 1HG GLN 20 -17.538 2.522 -16.171 149 HG3 GLN 20 2HG GLN 20 -18.424 1.181 -16.891 150 HE21 GLN 20 2HE2 GLN 20 -18.331 3.460 -14.264 151 HE22 GLN 20 1HE2 GLN 20 -19.978 3.285 -13.782 152 H GLN 21 H GLN 21 -17.988 -2.022 -13.234 153 HA GLN 21 HA GLN 21 -17.073 -3.658 -11.944 154 HB2 GLN 21 1HB GLN 21 -14.514 -3.175 -13.443 155 HB3 GLN 21 2HB GLN 21 -14.366 -3.675 -11.763 156 HG2 GLN 21 1HG GLN 21 -16.026 -5.568 -12.441 157 HG3 GLN 21 2HG GLN 21 -15.526 -5.188 -14.089 158 HE21 GLN 21 2HE2 GLN 21 -15.108 -7.599 -12.381 159 HE22 GLN 21 1HE2 GLN 21 -13.397 -7.854 -12.354 160 H ASP 22 H ASP 22 -17.022 -3.165 -9.911 161 HA ASP 22 HA ASP 22 -16.539 -0.329 -9.237 162 HB2 ASP 22 1HB ASP 22 -18.847 -1.850 -8.964 163 HB3 ASP 22 2HB ASP 22 -18.138 -2.066 -7.369 164 H ILE 23 H ILE 23 -14.278 -0.996 -9.197 165 HA ILE 23 HA ILE 23 -13.413 -2.614 -6.904 166 HB ILE 23 HB ILE 23 -11.114 -2.387 -7.772 167 HG12 ILE 23 1HG1 ILE 23 -11.156 -1.422 -10.362 168 HG13 ILE 23 2HG1 ILE 23 -12.316 -0.331 -9.622 169 HG21 ILE 23 1HG2 ILE 23 -12.499 -4.244 -8.544 170 HG22 ILE 23 2HG2 ILE 23 -11.428 -3.722 -9.843 171 HG23 ILE 23 3HG2 ILE 23 -13.133 -3.267 -9.873 172 HD11 ILE 23 3HD1 ILE 23 -10.600 0.368 -8.006 173 HD12 ILE 23 1HD1 ILE 23 -10.088 0.621 -9.676 174 HD13 ILE 23 2HD1 ILE 23 -9.453 -0.743 -8.759 175 H ASN 24 H ASN 24 -12.966 -1.778 -5.017 176 HA ASN 24 HA ASN 24 -12.327 1.060 -4.630 177 HB2 ASN 24 1HB ASN 24 -14.722 -0.258 -3.257 178 HB3 ASN 24 2HB ASN 24 -14.114 1.366 -2.962 179 HD21 ASN 24 2HD2 ASN 24 -15.877 -0.655 -5.166 180 HD22 ASN 24 1HD2 ASN 24 -16.547 0.621 -6.109 181 H ILE 25 H ILE 25 -10.611 1.021 -3.330 182 HA ILE 25 HA ILE 25 -10.179 -1.183 -1.415 183 HB ILE 25 HB ILE 25 -8.081 -0.285 -3.451 184 HG12 ILE 25 1HG1 ILE 25 -9.680 -2.897 -3.449 185 HG13 ILE 25 2HG1 ILE 25 -9.906 -1.578 -4.586 186 HG21 ILE 25 1HG2 ILE 25 -8.031 -2.511 -1.385 187 HG22 ILE 25 2HG2 ILE 25 -7.070 -1.031 -1.365 188 HG23 ILE 25 3HG2 ILE 25 -6.784 -2.250 -2.607 189 HD11 ILE 25 3HD1 ILE 25 -7.644 -1.952 -5.454 190 HD12 ILE 25 1HD1 ILE 25 -8.663 -3.384 -5.586 191 HD13 ILE 25 2HD1 ILE 25 -7.440 -3.292 -4.320 192 H HIS 26 H HIS 26 -9.325 -0.434 0.471 193 HA HIS 26 HA HIS 26 -8.442 2.386 0.634 194 HB2 HIS 26 1HB HIS 26 -9.105 0.489 2.936 195 HB3 HIS 26 2HB HIS 26 -8.887 2.229 3.016 196 HD1 HIS 26 HD1 HIS 26 -11.375 0.663 4.070 197 HD2 HIS 26 HD2 HIS 26 -11.183 2.663 0.440 198 HE1 HIS 26 HE1 HIS 26 -13.741 1.227 3.491 199 HE2 HIS 26 HE2 HIS 26 -13.604 2.466 1.316 200 H ILE 27 H ILE 27 -6.227 2.477 0.396 201 HA ILE 27 HA ILE 27 -4.578 0.257 1.443 202 HB ILE 27 HB ILE 27 -3.842 2.336 -0.665 203 HG12 ILE 27 1HG1 ILE 27 -4.368 -0.677 -0.847 204 HG13 ILE 27 2HG1 ILE 27 -5.344 0.598 -1.563 205 HG21 ILE 27 1HG2 ILE 27 -2.138 0.059 0.463 206 HG22 ILE 27 2HG2 ILE 27 -1.860 1.785 0.714 207 HG23 ILE 27 3HG2 ILE 27 -1.688 1.093 -0.898 208 HD11 ILE 27 3HD1 ILE 27 -4.034 -0.549 -3.228 209 HD12 ILE 27 1HD1 ILE 27 -2.542 -0.175 -2.370 210 HD13 ILE 27 2HD1 ILE 27 -3.496 1.121 -3.093 211 H ARG 28 H ARG 28 -3.990 0.691 3.430 212 HA ARG 28 HA ARG 28 -3.182 3.433 4.218 213 HB2 ARG 28 1HB ARG 28 -5.077 2.500 5.532 214 HB3 ARG 28 2HB ARG 28 -4.107 1.094 5.963 215 HG2 ARG 28 1HG ARG 28 -2.558 2.513 7.219 216 HG3 ARG 28 2HG ARG 28 -3.435 3.961 6.724 217 HD2 ARG 28 1HD ARG 28 -4.029 3.381 9.007 218 HD3 ARG 28 2HD ARG 28 -5.429 3.148 7.960 219 HE ARG 28 HE ARG 28 -4.234 0.678 8.089 220 HH11 ARG 28 1HH1 ARG 28 -5.442 2.892 10.526 221 HH12 ARG 28 2HH1 ARG 28 -5.941 1.628 11.597 222 HH21 ARG 28 1HH2 ARG 28 -4.900 -0.968 9.494 223 HH22 ARG 28 2HH2 ARG 28 -5.651 -0.567 11.006 224 H TYR 29 H TYR 29 -1.027 3.627 4.136 225 HA TYR 29 HA TYR 29 0.677 1.303 4.833 226 HB2 TYR 29 1HB TYR 29 2.472 2.517 3.484 227 HB3 TYR 29 2HB TYR 29 1.163 1.794 2.572 228 HD1 TYR 29 HD2 TYR 29 -0.480 3.224 1.368 229 HD2 TYR 29 HD1 TYR 29 2.789 4.973 3.497 230 HE1 TYR 29 HE2 TYR 29 -0.825 5.343 0.170 231 HE2 TYR 29 HE1 TYR 29 2.445 7.079 2.300 232 HH TYR 29 HH TYR 29 1.445 7.939 0.320 233 H GLU 30 H GLU 30 1.684 1.467 6.687 234 HA GLU 30 HA GLU 30 1.969 4.089 8.052 235 HB2 GLU 30 1HB GLU 30 1.255 1.424 9.377 236 HB3 GLU 30 2HB GLU 30 1.332 3.004 10.155 237 HG2 GLU 30 1HG GLU 30 -0.617 3.748 8.851 238 HG3 GLU 30 2HG GLU 30 -0.681 2.190 8.034 239 H VAL 31 H VAL 31 4.191 4.415 8.140 240 HA VAL 31 HA VAL 31 6.086 2.314 8.461 241 HB VAL 31 HB VAL 31 6.825 4.430 7.509 242 HG11 VAL 31 1HG1 VAL 31 7.026 6.506 8.796 243 HG12 VAL 31 2HG1 VAL 31 6.281 5.729 10.196 244 HG13 VAL 31 3HG1 VAL 31 5.347 5.970 8.720 245 HG21 VAL 31 3HG2 VAL 31 8.521 3.062 8.680 246 HG22 VAL 31 1HG2 VAL 31 8.226 3.954 10.175 247 HG23 VAL 31 2HG2 VAL 31 8.919 4.777 8.775 248 H ARG 32 H ARG 32 6.460 1.165 10.177 249 HA ARG 32 HA ARG 32 6.185 2.198 12.912 250 HB2 ARG 32 1HB ARG 32 4.083 0.925 12.102 251 HB3 ARG 32 2HB ARG 32 5.079 -0.518 12.035 252 HG2 ARG 32 1HG ARG 32 4.947 1.027 14.617 253 HG3 ARG 32 2HG ARG 32 3.560 0.046 14.155 254 HD2 ARG 32 1HD ARG 32 4.981 -1.954 14.079 255 HD3 ARG 32 2HD ARG 32 6.402 -0.976 14.468 256 HE ARG 32 HE ARG 32 4.568 -0.510 16.494 257 HH11 ARG 32 1HH1 ARG 32 6.326 -3.305 15.286 258 HH12 ARG 32 2HH1 ARG 32 6.372 -4.094 16.827 259 HH21 ARG 32 1HH2 ARG 32 4.646 -1.566 18.521 260 HH22 ARG 32 2HH2 ARG 32 5.430 -3.110 18.656 261 H GLN 33 H GLN 33 7.508 0.880 14.422 262 HA GLN 33 HA GLN 33 9.900 -0.107 13.003 263 HB2 GLN 33 1HB GLN 33 9.786 0.855 15.877 264 HB3 GLN 33 2HB GLN 33 11.225 0.538 14.907 265 HG2 GLN 33 1HG GLN 33 9.223 2.766 14.444 266 HG3 GLN 33 2HG GLN 33 10.808 2.944 15.188 267 HE21 GLN 33 2HE2 GLN 33 9.062 2.652 12.221 268 HE22 GLN 33 1HE2 GLN 33 10.398 2.897 11.157 269 H ASN 34 H ASN 34 10.174 -2.221 12.990 270 HA ASN 34 HA ASN 34 9.437 -3.934 15.281 271 HB2 ASN 34 1HB ASN 34 9.678 -5.855 13.800 272 HB3 ASN 34 2HB ASN 34 8.614 -4.683 13.048 273 HD21 ASN 34 2HD2 ASN 34 11.168 -3.088 12.168 274 HD22 ASN 34 1HD2 ASN 34 11.675 -3.962 10.788 275 H ALA 35 H ALA 35 11.030 -5.422 16.150 276 HA ALA 35 HA ALA 35 13.684 -4.356 16.413 277 HB1 ALA 35 3HB ALA 35 12.554 -5.528 18.269 278 HB2 ALA 35 1HB ALA 35 14.101 -6.284 17.878 279 HB3 ALA 35 2HB ALA 35 12.592 -7.031 17.348 280 H GLU 36 H GLU 36 12.219 -6.633 14.280 281 HA GLU 36 HA GLU 36 14.425 -8.267 13.600 282 HB2 GLU 36 1HB GLU 36 12.217 -9.085 13.183 283 HB3 GLU 36 2HB GLU 36 11.757 -7.651 12.289 284 HG2 GLU 36 1HG GLU 36 11.972 -9.579 10.813 285 HG3 GLU 36 2HG GLU 36 13.146 -8.334 10.399 286 H SER 37 H SER 37 12.996 -5.442 11.900 287 HA SER 37 HA SER 37 15.393 -5.291 10.139 288 HB2 SER 37 1HB SER 37 13.388 -6.165 8.961 289 HB3 SER 37 2HB SER 37 12.481 -4.728 9.426 290 HG SER 37 HG SER 37 14.758 -3.988 8.215 291 H GLY 38 H GLY 38 14.132 -3.771 12.658 292 HA2 GLY 38 1HA GLY 38 14.375 -1.634 13.521 293 HA3 GLY 38 2HA GLY 38 15.156 -1.140 12.019 294 H ALA 39 H ALA 39 13.954 0.014 10.567 295 HA ALA 39 HA ALA 39 11.159 0.610 11.062 296 HB1 ALA 39 3HB ALA 39 12.940 1.483 8.753 297 HB2 ALA 39 1HB ALA 39 12.667 2.385 10.248 298 HB3 ALA 39 2HB ALA 39 11.334 2.112 9.127 299 H TYR 40 H TYR 40 9.420 -0.060 9.870 300 HA TYR 40 HA TYR 40 9.729 -1.331 7.269 301 HB2 TYR 40 1HB TYR 40 8.675 -3.406 7.697 302 HB3 TYR 40 2HB TYR 40 9.762 -3.232 9.065 303 HD1 TYR 40 HD1 TYR 40 8.765 -2.527 11.336 304 HD2 TYR 40 HD2 TYR 40 6.298 -3.677 8.035 305 HE1 TYR 40 HE1 TYR 40 6.884 -2.920 12.863 306 HE2 TYR 40 HE2 TYR 40 4.420 -4.063 9.567 307 HH TYR 40 HH TYR 40 4.063 -4.571 11.935 308 H VAL 41 H VAL 41 7.375 -1.771 6.372 309 HA VAL 41 HA VAL 41 5.493 0.282 7.413 310 HB VAL 41 HB VAL 41 5.747 -0.431 4.448 311 HG11 VAL 41 1HG1 VAL 41 4.407 1.628 4.104 312 HG12 VAL 41 2HG1 VAL 41 4.321 1.867 5.851 313 HG13 VAL 41 3HG1 VAL 41 3.551 0.460 5.114 314 HG21 VAL 41 3HG2 VAL 41 6.915 1.714 4.100 315 HG22 VAL 41 1HG2 VAL 41 7.852 0.645 5.147 316 HG23 VAL 41 2HG2 VAL 41 6.951 1.994 5.843 317 H HIS 42 H HIS 42 3.502 -0.461 7.818 318 HA HIS 42 HA HIS 42 2.682 -3.180 7.054 319 HB2 HIS 42 1HB HIS 42 2.408 -2.786 9.403 320 HB3 HIS 42 2HB HIS 42 1.713 -1.190 9.151 321 HD1 HIS 42 HD1 HIS 42 0.774 -4.848 8.538 322 HD2 HIS 42 HD2 HIS 42 -1.019 -1.179 9.255 323 HE1 HIS 42 HE1 HIS 42 -1.668 -5.326 8.750 324 HE2 HIS 42 HE2 HIS 42 -2.739 -3.074 9.016 325 H PHE 43 H PHE 43 0.995 -3.501 5.649 326 HA PHE 43 HA PHE 43 -0.289 -1.105 4.426 327 HB2 PHE 43 1HB PHE 43 0.478 -3.674 2.968 328 HB3 PHE 43 2HB PHE 43 -0.231 -2.231 2.249 329 HD1 PHE 43 HD1 PHE 43 1.156 -0.167 1.968 330 HD2 PHE 43 HD2 PHE 43 2.868 -3.799 3.449 331 HE1 PHE 43 HE1 PHE 43 3.407 0.683 1.479 332 HE2 PHE 43 HE2 PHE 43 5.110 -2.932 2.960 333 HZ PHE 43 HZ PHE 43 5.388 -0.697 1.973 334 H ASP 44 H ASP 44 -2.453 -1.118 4.648 335 HA ASP 44 HA ASP 44 -3.933 -3.680 4.886 336 HB2 ASP 44 1HB ASP 44 -4.781 -0.849 5.664 337 HB3 ASP 44 2HB ASP 44 -5.849 -2.250 5.723 338 H MET 45 H MET 45 -5.640 -4.082 3.509 339 HA MET 45 HA MET 45 -6.521 -2.086 1.554 340 HB2 MET 45 1HB MET 45 -5.820 -4.958 0.790 341 HB3 MET 45 2HB MET 45 -6.627 -3.798 -0.254 342 HG2 MET 45 1HG MET 45 -4.450 -2.368 0.120 343 HG3 MET 45 2HG MET 45 -3.738 -3.923 0.552 344 HE1 MET 45 3HE MET 45 -4.287 -6.130 -1.186 345 HE2 MET 45 1HE MET 45 -4.771 -5.876 -2.861 346 HE3 MET 45 2HE MET 45 -5.920 -5.567 -1.559 347 H ASP 46 H ASP 46 -8.741 -2.068 1.404 348 HA ASP 46 HA ASP 46 -10.388 -4.379 1.783 349 HB2 ASP 46 1HB ASP 46 -11.544 -3.782 3.855 350 HB3 ASP 46 2HB ASP 46 -9.825 -3.958 4.176 351 H GLY 47 H GLY 47 -12.682 -3.910 1.621 352 HA2 GLY 47 1HA GLY 47 -14.181 -1.759 1.330 353 HA3 GLY 47 2HA GLY 47 -13.196 -1.583 -0.118 354 H GLU 48 H GLU 48 -14.217 -2.308 -1.853 355 HA GLU 48 HA GLU 48 -15.305 -5.034 -1.879 356 HB2 GLU 48 1HB GLU 48 -17.338 -4.430 -3.040 357 HB3 GLU 48 2HB GLU 48 -17.251 -3.417 -1.603 358 HG2 GLU 48 1HG GLU 48 -16.309 -1.570 -3.082 359 HG3 GLU 48 2HG GLU 48 -16.680 -2.588 -4.470 360 H ILE 49 H ILE 49 -15.809 -5.462 -4.497 361 HA ILE 49 HA ILE 49 -13.962 -4.328 -6.227 362 HB ILE 49 HB ILE 49 -13.132 -7.010 -5.008 363 HG12 ILE 49 1HG1 ILE 49 -11.521 -4.550 -5.863 364 HG13 ILE 49 2HG1 ILE 49 -11.937 -4.984 -4.210 365 HG21 ILE 49 1HG2 ILE 49 -11.677 -7.426 -7.025 366 HG22 ILE 49 2HG2 ILE 49 -12.498 -6.096 -7.851 367 HG23 ILE 49 3HG2 ILE 49 -13.402 -7.533 -7.378 368 HD11 ILE 49 3HD1 ILE 49 -10.491 -6.924 -4.324 369 HD12 ILE 49 1HD1 ILE 49 -9.611 -5.469 -4.789 370 HD13 ILE 49 2HD1 ILE 49 -10.152 -6.599 -6.029 371 H ASP 50 H ASP 50 -15.562 -4.218 -7.707 372 HA ASP 50 HA ASP 50 -17.202 -4.741 -9.146 373 HB2 ASP 50 1HB ASP 50 -15.443 -6.278 -10.046 374 HB3 ASP 50 2HB ASP 50 -16.012 -7.546 -8.963 375 H GLY 51 H GLY 51 -18.037 -4.410 -6.661 376 HA2 GLY 51 1HA GLY 51 -20.020 -4.634 -5.505 377 HA3 GLY 51 2HA GLY 51 -20.361 -6.138 -6.337 378 H LYS 52 H LYS 52 -17.746 -7.338 -5.591 379 HA LYS 52 HA LYS 52 -18.671 -8.625 -3.209 380 HB2 LYS 52 1HB LYS 52 -16.280 -9.052 -5.026 381 HB3 LYS 52 2HB LYS 52 -16.637 -10.092 -3.648 382 HG2 LYS 52 1HG LYS 52 -18.647 -10.906 -4.631 383 HG3 LYS 52 2HG LYS 52 -18.664 -9.640 -5.859 384 HD2 LYS 52 1HD LYS 52 -16.500 -11.781 -5.706 385 HD3 LYS 52 2HD LYS 52 -17.964 -11.958 -6.677 386 HE2 LYS 52 1HE LYS 52 -15.908 -9.735 -7.012 387 HE3 LYS 52 2HE LYS 52 -16.033 -11.172 -8.030 388 HZ1 LYS 52 3HZ LYS 52 -17.115 -9.311 -9.065 389 HZ2 LYS 52 1HZ LYS 52 -18.102 -9.069 -7.716 390 HZ3 LYS 52 2HZ LYS 52 -18.275 -10.465 -8.648 391 HA PRO 53 HA PRO 53 -16.125 -5.949 -0.439 392 HB2 PRO 53 1HB PRO 53 -17.306 -7.777 1.625 393 HB3 PRO 53 2HB PRO 53 -17.305 -6.010 1.556 394 HG2 PRO 53 1HG PRO 53 -19.541 -7.410 1.036 395 HG3 PRO 53 2HG PRO 53 -19.155 -5.925 0.135 396 HD2 PRO 53 1HD PRO 53 -18.829 -8.799 -0.730 397 HD3 PRO 53 2HD PRO 53 -19.414 -7.401 -1.650 398 H PHE 54 H PHE 54 -14.143 -6.269 0.645 399 HA PHE 54 HA PHE 54 -13.175 -8.970 1.205 400 HB2 PHE 54 1HB PHE 54 -11.351 -8.999 -0.318 401 HB3 PHE 54 2HB PHE 54 -12.694 -8.424 -1.293 402 HD1 PHE 54 HD1 PHE 54 -12.926 -5.718 -1.330 403 HD2 PHE 54 HD2 PHE 54 -9.315 -7.873 -0.526 404 HE1 PHE 54 HE1 PHE 54 -11.599 -3.740 -1.930 405 HE2 PHE 54 HE2 PHE 54 -8.001 -5.890 -1.131 406 HZ PHE 54 HZ PHE 54 -9.145 -3.830 -1.826 407 H SER 55 H SER 55 -11.105 -8.967 2.352 408 HA SER 55 HA SER 55 -9.887 -6.422 3.113 409 HB2 SER 55 1HB SER 55 -9.976 -6.983 5.573 410 HB3 SER 55 2HB SER 55 -11.553 -6.636 4.866 411 HG SER 55 HG SER 55 -10.997 -9.276 4.676 412 H ASP 56 H ASP 56 -7.811 -6.717 2.707 413 HA ASP 56 HA ASP 56 -6.363 -9.114 3.678 414 HB2 ASP 56 1HB ASP 56 -5.867 -7.595 1.064 415 HB3 ASP 56 2HB ASP 56 -4.804 -8.845 1.707 416 H SER 57 H SER 57 -4.141 -8.681 4.298 417 HA SER 57 HA SER 57 -3.081 -5.982 4.146 418 HB2 SER 57 1HB SER 57 -2.659 -5.831 6.636 419 HB3 SER 57 2HB SER 57 -4.362 -5.737 6.195 420 HG SER 57 HG SER 57 -4.211 -8.171 6.580 421 H PHE 58 H PHE 58 -0.923 -5.977 3.990 422 HA PHE 58 HA PHE 58 0.635 -8.375 4.721 423 HB2 PHE 58 1HB PHE 58 1.878 -8.222 2.567 424 HB3 PHE 58 2HB PHE 58 0.186 -8.615 2.337 425 HD1 PHE 58 HD2 PHE 58 -1.381 -6.928 1.359 426 HD2 PHE 58 HD1 PHE 58 2.821 -6.156 1.659 427 HE1 PHE 58 HE2 PHE 58 -1.592 -5.099 -0.274 428 HE2 PHE 58 HE1 PHE 58 2.597 -4.332 0.029 429 HZ PHE 58 HZ PHE 58 0.396 -3.804 -0.945 430 H GLU 59 H GLU 59 2.776 -7.959 5.315 431 HA GLU 59 HA GLU 59 3.508 -5.112 5.743 432 HB2 GLU 59 1HB GLU 59 4.328 -7.550 7.393 433 HB3 GLU 59 2HB GLU 59 4.886 -5.904 7.665 434 HG2 GLU 59 1HG GLU 59 3.233 -6.293 9.302 435 HG3 GLU 59 2HG GLU 59 2.468 -5.267 8.100 436 H LEU 60 H LEU 60 5.594 -4.488 5.188 437 HA LEU 60 HA LEU 60 7.456 -6.466 4.046 438 HB2 LEU 60 1HB LEU 60 6.630 -3.853 2.714 439 HB3 LEU 60 2HB LEU 60 7.970 -4.856 2.182 440 HG LEU 60 HG LEU 60 5.041 -5.712 2.147 441 HD11 LEU 60 1HD1 LEU 60 5.433 -3.936 0.511 442 HD12 LEU 60 2HD1 LEU 60 5.178 -5.477 -0.304 443 HD13 LEU 60 3HD1 LEU 60 6.812 -4.822 -0.155 444 HD21 LEU 60 3HD2 LEU 60 6.547 -7.628 2.412 445 HD22 LEU 60 1HD2 LEU 60 7.504 -7.096 1.025 446 HD23 LEU 60 2HD2 LEU 60 5.836 -7.623 0.803 447 HA PRO 61 HA PRO 61 10.342 -4.018 6.579 448 HB2 PRO 61 1HB PRO 61 12.690 -4.832 5.364 449 HB3 PRO 61 2HB PRO 61 11.834 -5.795 6.565 450 HG2 PRO 61 1HG PRO 61 11.754 -6.008 3.566 451 HG3 PRO 61 2HG PRO 61 11.890 -7.300 4.772 452 HD2 PRO 61 1HD PRO 61 9.534 -6.736 3.583 453 HD3 PRO 61 2HD PRO 61 9.602 -7.223 5.296 454 H ARG 62 H ARG 62 11.416 -2.062 6.332 455 HA ARG 62 HA ARG 62 10.702 -0.207 4.544 456 HB2 ARG 62 1HB ARG 62 12.644 1.154 5.227 457 HB3 ARG 62 2HB ARG 62 11.924 0.313 6.598 458 HG2 ARG 62 1HG ARG 62 13.715 -1.326 6.615 459 HG3 ARG 62 2HG ARG 62 14.403 -0.650 5.137 460 HD2 ARG 62 1HD ARG 62 14.777 1.508 6.403 461 HD3 ARG 62 2HD ARG 62 14.276 0.656 7.867 462 HE ARG 62 HE ARG 62 16.173 -0.802 7.624 463 HH11 ARG 62 1HH1 ARG 62 16.305 2.133 5.691 464 HH12 ARG 62 2HH1 ARG 62 18.004 1.988 5.382 465 HH21 ARG 62 1HH2 ARG 62 18.394 -0.973 7.211 466 HH22 ARG 62 2HH2 ARG 62 19.187 0.228 6.241 467 H ASP 63 H ASP 63 13.463 -2.377 3.967 468 HA ASP 63 HA ASP 63 14.559 -0.931 1.749 469 HB2 ASP 63 1HB ASP 63 15.865 -2.419 3.285 470 HB3 ASP 63 2HB ASP 63 15.047 -3.818 2.604 471 H THR 64 H THR 64 11.914 -3.100 1.953 472 HA THR 64 HA THR 64 11.851 -3.532 -0.966 473 HB THR 64 HB THR 64 10.941 -5.862 -0.574 474 HG1 THR 64 HG1 THR 64 11.333 -6.769 1.508 475 HG21 THR 64 3HG2 THR 64 13.758 -5.452 0.508 476 HG22 THR 64 1HG2 THR 64 13.325 -5.607 -1.199 477 HG23 THR 64 2HG2 THR 64 13.095 -6.969 -0.102 478 H ALA 65 H ALA 65 10.498 -2.022 1.488 479 HA ALA 65 HA ALA 65 7.740 -2.624 1.464 480 HB1 ALA 65 3HB ALA 65 7.437 -0.422 2.511 481 HB2 ALA 65 1HB ALA 65 9.091 0.025 2.075 482 HB3 ALA 65 2HB ALA 65 8.805 -1.279 3.229 483 H PHE 66 H PHE 66 9.728 -0.609 -0.552 484 HA PHE 66 HA PHE 66 7.768 0.740 -2.022 485 HB2 PHE 66 1HB PHE 66 10.568 0.006 -2.968 486 HB3 PHE 66 2HB PHE 66 9.586 1.361 -3.521 487 HD1 PHE 66 HD2 PHE 66 8.851 3.085 -1.657 488 HD2 PHE 66 HD1 PHE 66 12.140 0.377 -1.232 489 HE1 PHE 66 HE2 PHE 66 9.776 4.479 0.134 490 HE2 PHE 66 HE1 PHE 66 13.052 1.783 0.568 491 HZ PHE 66 HZ PHE 66 11.874 3.833 1.251 492 H ASN 67 H ASN 67 8.592 -2.558 -2.176 493 HA ASN 67 HA ASN 67 7.777 -3.047 -4.922 494 HB2 ASN 67 1HB ASN 67 8.228 -4.962 -2.597 495 HB3 ASN 67 2HB ASN 67 7.939 -5.466 -4.263 496 HD21 ASN 67 2HD2 ASN 67 10.227 -6.032 -2.574 497 HD22 ASN 67 1HD2 ASN 67 11.614 -5.377 -3.371 498 H PHE 68 H PHE 68 6.021 -1.960 -2.435 499 HA PHE 68 HA PHE 68 3.886 -3.780 -2.063 500 HB2 PHE 68 1HB PHE 68 2.847 -2.056 -0.776 501 HB3 PHE 68 2HB PHE 68 4.572 -1.829 -0.528 502 HD1 PHE 68 HD1 PHE 68 5.711 -0.133 -2.320 503 HD2 PHE 68 HD2 PHE 68 1.575 -0.111 -1.224 504 HE1 PHE 68 HE1 PHE 68 5.514 2.177 -3.120 505 HE2 PHE 68 HE2 PHE 68 1.393 2.201 -2.023 506 HZ PHE 68 HZ PHE 68 3.357 3.345 -2.980 507 H ALA 69 H ALA 69 4.555 -1.741 -4.792 508 HA ALA 69 HA ALA 69 1.816 -0.787 -5.150 509 HB1 ALA 69 3HB ALA 69 3.658 0.748 -5.665 510 HB2 ALA 69 1HB ALA 69 2.733 0.377 -7.121 511 HB3 ALA 69 2HB ALA 69 4.301 -0.389 -6.853 512 H SER 70 H SER 70 4.232 -2.824 -6.695 513 HA SER 70 HA SER 70 2.568 -3.944 -8.716 514 HB2 SER 70 1HB SER 70 5.174 -5.014 -7.538 515 HB3 SER 70 2HB SER 70 4.457 -5.497 -9.076 516 HG SER 70 HG SER 70 6.094 -3.949 -9.374 517 H ASP 71 H ASP 71 3.436 -4.800 -5.396 518 HA ASP 71 HA ASP 71 2.388 -7.444 -5.395 519 HB2 ASP 71 1HB ASP 71 4.130 -6.654 -3.793 520 HB3 ASP 71 2HB ASP 71 2.941 -5.605 -3.030 521 H ALA 72 H ALA 72 1.140 -4.472 -3.836 522 HA ALA 72 HA ALA 72 -1.336 -5.277 -2.991 523 HB1 ALA 72 3HB ALA 72 -0.391 -3.050 -2.492 524 HB2 ALA 72 1HB ALA 72 -2.057 -2.929 -3.064 525 HB3 ALA 72 2HB ALA 72 -0.715 -2.534 -4.147 526 H THR 73 H THR 73 -0.547 -3.991 -6.245 527 HA THR 73 HA THR 73 -3.105 -4.272 -7.395 528 HB THR 73 HB THR 73 -0.359 -4.386 -8.724 529 HG1 THR 73 HG1 THR 73 -0.875 -2.426 -7.583 530 HG21 THR 73 3HG2 THR 73 -3.079 -3.882 -10.006 531 HG22 THR 73 1HG2 THR 73 -2.077 -5.311 -10.253 532 HG23 THR 73 2HG2 THR 73 -1.520 -3.737 -10.819 533 H ARG 74 H ARG 74 -0.302 -6.458 -7.399 534 HA ARG 74 HA ARG 74 -1.193 -8.599 -8.880 535 HB2 ARG 74 1HB ARG 74 1.114 -8.386 -8.028 536 HB3 ARG 74 2HB ARG 74 0.552 -8.679 -6.386 537 HG2 ARG 74 1HG ARG 74 -0.182 -10.981 -7.131 538 HG3 ARG 74 2HG ARG 74 0.590 -10.656 -8.684 539 HD2 ARG 74 1HD ARG 74 2.113 -11.950 -7.311 540 HD3 ARG 74 2HD ARG 74 2.761 -10.321 -7.490 541 HE ARG 74 HE ARG 74 1.971 -9.837 -5.216 542 HH11 ARG 74 1HH1 ARG 74 2.215 -13.242 -6.078 543 HH12 ARG 74 2HH1 ARG 74 2.415 -13.766 -4.437 544 HH21 ARG 74 1HH2 ARG 74 2.244 -10.539 -3.072 545 HH22 ARG 74 2HH2 ARG 74 2.447 -12.230 -2.736 546 H VAL 75 H VAL 75 -1.624 -8.166 -5.350 547 HA VAL 75 HA VAL 75 -3.014 -10.671 -5.021 548 HB VAL 75 HB VAL 75 -1.640 -9.910 -3.169 549 HG11 VAL 75 1HG1 VAL 75 -1.766 -7.490 -3.470 550 HG12 VAL 75 2HG1 VAL 75 -2.161 -7.925 -1.810 551 HG13 VAL 75 3HG1 VAL 75 -3.447 -7.487 -2.937 552 HG21 VAL 75 3HG2 VAL 75 -4.573 -9.788 -2.339 553 HG22 VAL 75 1HG2 VAL 75 -3.209 -10.129 -1.270 554 HG23 VAL 75 2HG2 VAL 75 -3.625 -11.260 -2.557 555 H ALA 76 H ALA 76 -3.959 -7.327 -5.639 556 HA ALA 76 HA ALA 76 -6.667 -7.553 -4.686 557 HB1 ALA 76 3HB ALA 76 -5.420 -5.507 -6.556 558 HB2 ALA 76 1HB ALA 76 -5.549 -5.368 -4.801 559 HB3 ALA 76 2HB ALA 76 -7.009 -5.377 -5.791 560 H GLN 77 H GLN 77 -5.006 -7.774 -7.800 561 HA GLN 77 HA GLN 77 -7.100 -8.019 -9.601 562 HB2 GLN 77 1HB GLN 77 -4.319 -9.232 -9.645 563 HB3 GLN 77 2HB GLN 77 -5.430 -9.413 -10.998 564 HG2 GLN 77 1HG GLN 77 -5.460 -7.011 -11.365 565 HG3 GLN 77 2HG GLN 77 -4.483 -6.739 -9.923 566 HE21 GLN 77 2HE2 GLN 77 -3.921 -5.999 -12.705 567 HE22 GLN 77 1HE2 GLN 77 -2.408 -6.731 -13.095 568 H LYS 78 H LYS 78 -5.920 -10.407 -7.352 569 HA LYS 78 HA LYS 78 -7.046 -12.716 -8.692 570 HB2 LYS 78 1HB LYS 78 -5.525 -12.290 -6.121 571 HB3 LYS 78 2HB LYS 78 -6.452 -13.771 -6.296 572 HG2 LYS 78 1HG LYS 78 -4.073 -14.079 -6.906 573 HG3 LYS 78 2HG LYS 78 -5.159 -14.427 -8.252 574 HD2 LYS 78 1HD LYS 78 -4.652 -12.243 -9.257 575 HD3 LYS 78 2HD LYS 78 -3.635 -11.831 -7.879 576 HE2 LYS 78 1HE LYS 78 -2.081 -13.654 -8.472 577 HE3 LYS 78 2HE LYS 78 -3.107 -14.089 -9.842 578 HZ1 LYS 78 3HZ LYS 78 -1.208 -12.710 -10.481 579 HZ2 LYS 78 1HZ LYS 78 -1.762 -11.463 -9.493 580 HZ3 LYS 78 2HZ LYS 78 -2.676 -11.952 -10.828 581 H HIS 79 H HIS 79 -8.405 -10.241 -6.889 582 HA HIS 79 HA HIS 79 -10.647 -11.816 -5.824 583 HB2 HIS 79 1HB HIS 79 -10.099 -8.824 -5.686 584 HB3 HIS 79 2HB HIS 79 -11.438 -9.649 -4.894 585 HD1 HIS 79 HD1 HIS 79 -7.672 -9.348 -4.740 586 HD2 HIS 79 HD2 HIS 79 -10.823 -10.716 -2.409 587 HE1 HIS 79 HE1 HIS 79 -6.698 -9.782 -2.477 588 HE2 HIS 79 HE2 HIS 79 -8.631 -10.517 -1.063 589 H GLY 80 H GLY 80 -9.846 -10.926 -8.817 590 HA2 GLY 80 1HA GLY 80 -11.214 -10.980 -10.689 591 HA3 GLY 80 2HA GLY 80 -12.600 -10.552 -9.710 592 H LEU 81 H LEU 81 -9.448 -9.056 -10.651 593 HA LEU 81 HA LEU 81 -10.907 -6.595 -11.439 594 HB2 LEU 81 1HB LEU 81 -7.991 -7.105 -10.796 595 HB3 LEU 81 2HB LEU 81 -8.401 -5.777 -11.862 596 HG LEU 81 HG LEU 81 -9.793 -4.758 -10.065 597 HD11 LEU 81 1HD1 LEU 81 -10.406 -6.756 -8.826 598 HD12 LEU 81 2HD1 LEU 81 -9.655 -5.565 -7.772 599 HD13 LEU 81 3HD1 LEU 81 -8.734 -6.970 -8.310 600 HD21 LEU 81 3HD2 LEU 81 -7.483 -4.010 -10.329 601 HD22 LEU 81 1HD2 LEU 81 -6.912 -5.303 -9.267 602 HD23 LEU 81 2HD2 LEU 81 -7.928 -4.010 -8.624 603 H HIS 82 H HIS 82 -10.976 -5.966 -13.548 604 HA HIS 82 HA HIS 82 -9.467 -7.465 -15.606 605 HB2 HIS 82 1HB HIS 82 -12.092 -5.927 -15.799 606 HB3 HIS 82 2HB HIS 82 -11.168 -6.399 -17.221 607 HD1 HIS 82 HD1 HIS 82 -11.223 -8.875 -17.903 608 HD2 HIS 82 HD2 HIS 82 -13.467 -8.061 -14.513 609 HE1 HIS 82 HE1 HIS 82 -12.552 -10.948 -17.476 610 HE2 HIS 82 HE2 HIS 82 -13.796 -10.483 -15.340 611 HA PRO 83 HA PRO 83 -7.128 -3.447 -15.398 612 HB2 PRO 83 1HB PRO 83 -5.281 -5.096 -17.112 613 HB3 PRO 83 2HB PRO 83 -4.909 -4.099 -15.697 614 HG2 PRO 83 1HG PRO 83 -4.938 -6.759 -15.479 615 HG3 PRO 83 2HG PRO 83 -5.626 -5.755 -14.181 616 HD2 PRO 83 1HD PRO 83 -7.062 -7.256 -16.379 617 HD3 PRO 83 2HD PRO 83 -7.456 -7.154 -14.647 618 H LYS 84 H LYS 84 -8.593 -5.150 -17.949 619 HA LYS 84 HA LYS 84 -8.020 -3.640 -20.215 620 HB2 LYS 84 1HB LYS 84 -9.322 -5.825 -20.060 621 HB3 LYS 84 2HB LYS 84 -10.713 -4.905 -19.515 622 HG2 LYS 84 1HG LYS 84 -9.404 -4.274 -22.175 623 HG3 LYS 84 2HG LYS 84 -10.523 -5.629 -22.028 624 HD2 LYS 84 1HD LYS 84 -12.307 -4.109 -21.297 625 HD3 LYS 84 2HD LYS 84 -11.194 -2.741 -21.349 626 HE2 LYS 84 1HE LYS 84 -12.024 -4.411 -23.747 627 HE3 LYS 84 2HE LYS 84 -12.686 -2.832 -23.329 628 HZ1 LYS 84 3HZ LYS 84 -10.456 -1.892 -23.604 629 HZ2 LYS 84 1HZ LYS 84 -11.017 -2.625 -25.024 630 HZ3 LYS 84 2HZ LYS 84 -9.865 -3.410 -24.066 631 H PHE 85 H PHE 85 -10.351 -3.015 -17.565 632 HA PHE 85 HA PHE 85 -11.048 -0.404 -18.700 633 HB2 PHE 85 1HB PHE 85 -12.794 -1.829 -17.538 634 HB3 PHE 85 2HB PHE 85 -11.944 -1.550 -16.020 635 HD1 PHE 85 HD2 PHE 85 -13.294 0.433 -18.918 636 HD2 PHE 85 HD1 PHE 85 -12.765 0.237 -14.677 637 HE1 PHE 85 HE2 PHE 85 -14.499 2.560 -18.667 638 HE2 PHE 85 HE1 PHE 85 -13.967 2.374 -14.444 639 HZ PHE 85 HZ PHE 85 -14.835 3.533 -16.437 640 H GLY 86 H GLY 86 -8.766 -1.731 -16.475 641 HA2 GLY 86 1HA GLY 86 -8.301 0.565 -14.812 642 HA3 GLY 86 2HA GLY 86 -7.291 -0.866 -14.945 643 H ALA 87 H ALA 87 -5.240 -0.194 -15.380 644 HA ALA 87 HA ALA 87 -4.723 1.507 -17.718 645 HB1 ALA 87 3HB ALA 87 -3.634 2.226 -14.963 646 HB2 ALA 87 1HB ALA 87 -4.890 3.111 -15.836 647 HB3 ALA 87 2HB ALA 87 -3.250 3.039 -16.480 648 H ILE 88 H ILE 88 -3.761 -0.189 -18.753 649 HA ILE 88 HA ILE 88 -1.541 -1.648 -17.470 650 HB ILE 88 HB ILE 88 -3.342 -3.019 -18.469 651 HG12 ILE 88 1HG1 ILE 88 -0.707 -3.296 -20.007 652 HG13 ILE 88 2HG1 ILE 88 -1.019 -3.939 -18.400 653 HG21 ILE 88 1HG2 ILE 88 -3.726 -3.112 -20.913 654 HG22 ILE 88 2HG2 ILE 88 -2.581 -1.793 -21.150 655 HG23 ILE 88 3HG2 ILE 88 -4.084 -1.508 -20.271 656 HD11 ILE 88 3HD1 ILE 88 -2.352 -4.797 -20.966 657 HD12 ILE 88 1HD1 ILE 88 -2.739 -5.427 -19.361 658 HD13 ILE 88 2HD1 ILE 88 -1.136 -5.685 -20.049 659 H THR 89 H THR 89 -2.275 0.302 -20.372 660 HA THR 89 HA THR 89 0.529 0.412 -21.213 661 HB THR 89 HB THR 89 -1.905 1.798 -22.443 662 HG1 THR 89 HG1 THR 89 -1.275 -0.804 -22.389 663 HG21 THR 89 3HG2 THR 89 0.246 2.772 -23.183 664 HG22 THR 89 1HG2 THR 89 -0.527 1.890 -24.499 665 HG23 THR 89 2HG2 THR 89 0.830 1.168 -23.634 666 H ARG 90 H ARG 90 -1.957 2.440 -19.732 667 HA ARG 90 HA ARG 90 -0.388 4.856 -19.650 668 HB2 ARG 90 1HB ARG 90 -2.936 4.076 -18.162 669 HB3 ARG 90 2HB ARG 90 -2.207 5.679 -18.111 670 HG2 ARG 90 1HG ARG 90 -3.232 4.331 -20.633 671 HG3 ARG 90 2HG ARG 90 -4.146 5.505 -19.682 672 HD2 ARG 90 1HD ARG 90 -2.488 7.239 -20.171 673 HD3 ARG 90 2HD ARG 90 -1.465 6.064 -21.005 674 HE ARG 90 HE ARG 90 -3.360 5.809 -22.622 675 HH11 ARG 90 1HH1 ARG 90 -3.043 8.835 -20.873 676 HH12 ARG 90 2HH1 ARG 90 -3.732 9.782 -22.153 677 HH21 ARG 90 1HH2 ARG 90 -4.260 7.066 -24.285 678 HH22 ARG 90 2HH2 ARG 90 -4.438 8.779 -24.076 679 H VAL 91 H VAL 91 1.553 4.150 -18.751 680 HA VAL 91 HA VAL 91 1.723 2.922 -16.150 681 HB VAL 91 HB VAL 91 3.977 4.255 -17.735 682 HG11 VAL 91 1HG1 VAL 91 5.468 2.762 -16.443 683 HG12 VAL 91 2HG1 VAL 91 4.081 2.123 -15.557 684 HG13 VAL 91 3HG1 VAL 91 4.543 3.816 -15.372 685 HG21 VAL 91 3HG2 VAL 91 2.877 2.555 -19.140 686 HG22 VAL 91 1HG2 VAL 91 3.058 1.351 -17.862 687 HG23 VAL 91 2HG2 VAL 91 4.487 2.017 -18.659 688 H HIS 92 H HIS 92 0.734 4.219 -14.701 689 HA HIS 92 HA HIS 92 0.967 7.065 -14.636 690 HB2 HIS 92 1HB HIS 92 -0.486 6.965 -12.632 691 HB3 HIS 92 2HB HIS 92 -1.139 6.031 -13.968 692 HD1 HIS 92 HD1 HIS 92 -1.115 5.815 -10.522 693 HD2 HIS 92 HD2 HIS 92 -0.050 3.084 -13.470 694 HE1 HIS 92 HE1 HIS 92 -1.265 3.559 -9.440 695 HE2 HIS 92 HE2 HIS 92 -0.432 1.950 -11.184 696 H LYS 93 H LYS 93 2.613 8.176 -13.865 697 HA LYS 93 HA LYS 93 4.642 7.080 -12.117 698 HB2 LYS 93 1HB LYS 93 5.756 9.273 -12.400 699 HB3 LYS 93 2HB LYS 93 5.293 8.558 -13.940 700 HG2 LYS 93 1HG LYS 93 3.300 10.060 -14.015 701 HG3 LYS 93 2HG LYS 93 3.847 10.818 -12.512 702 HD2 LYS 93 1HD LYS 93 5.940 11.533 -13.646 703 HD3 LYS 93 2HD LYS 93 5.387 10.775 -15.142 704 HE2 LYS 93 1HE LYS 93 3.428 12.335 -15.160 705 HE3 LYS 93 2HE LYS 93 4.085 13.131 -13.726 706 HZ1 LYS 93 3HZ LYS 93 6.096 13.616 -15.052 707 HZ2 LYS 93 1HZ LYS 93 4.706 14.362 -15.656 708 HZ3 LYS 93 2HZ LYS 93 5.327 12.988 -16.412 709 H GLU 94 H GLU 94 1.679 7.979 -11.317 710 HA GLU 94 HA GLU 94 1.939 9.441 -8.928 711 HB2 GLU 94 1HB GLU 94 -0.019 7.195 -9.563 712 HB3 GLU 94 2HB GLU 94 -0.227 8.448 -8.337 713 HG2 GLU 94 1HG GLU 94 -0.402 10.170 -10.048 714 HG3 GLU 94 2HG GLU 94 -0.023 9.002 -11.316 715 H TYR 95 H TYR 95 2.690 6.102 -9.768 716 HA TYR 95 HA TYR 95 3.189 5.107 -7.179 717 HB2 TYR 95 1HB TYR 95 3.198 3.465 -8.923 718 HB3 TYR 95 2HB TYR 95 4.371 4.365 -9.882 719 HD1 TYR 95 HD2 TYR 95 4.334 3.145 -6.290 720 HD2 TYR 95 HD1 TYR 95 6.412 3.165 -10.030 721 HE1 TYR 95 HE2 TYR 95 6.197 1.910 -5.271 722 HE2 TYR 95 HE1 TYR 95 8.272 1.941 -9.000 723 HH TYR 95 HH TYR 95 8.056 0.533 -5.883 724 H ASP 96 H ASP 96 5.379 6.804 -9.512 725 HA ASP 96 HA ASP 96 7.693 6.879 -7.965 726 HB2 ASP 96 1HB ASP 96 6.648 8.954 -9.941 727 HB3 ASP 96 2HB ASP 96 8.287 8.955 -9.293 728 H ALA 97 H ALA 97 4.840 8.930 -7.812 729 HA ALA 97 HA ALA 97 5.778 10.902 -6.008 730 HB1 ALA 97 3HB ALA 97 2.933 9.942 -6.490 731 HB2 ALA 97 1HB ALA 97 3.763 11.209 -7.397 732 HB3 ALA 97 2HB ALA 97 3.393 11.448 -5.689 733 H MET 98 H MET 98 3.833 7.941 -5.447 734 HA MET 98 HA MET 98 3.721 8.165 -2.613 735 HB2 MET 98 1HB MET 98 2.133 6.919 -4.171 736 HB3 MET 98 2HB MET 98 3.324 5.629 -4.249 737 HG2 MET 98 1HG MET 98 3.123 5.322 -1.796 738 HG3 MET 98 2HG MET 98 1.896 6.593 -1.747 739 HE1 MET 98 3HE MET 98 -0.713 4.782 -4.288 740 HE2 MET 98 1HE MET 98 0.710 5.673 -4.817 741 HE3 MET 98 2HE MET 98 -0.329 6.329 -3.550 742 H PHE 99 H PHE 99 5.757 6.280 -4.730 743 HA PHE 99 HA PHE 99 7.367 4.798 -3.100 744 HB2 PHE 99 1HB PHE 99 7.570 4.622 -5.506 745 HB3 PHE 99 2HB PHE 99 7.987 6.319 -5.669 746 HD1 PHE 99 HD2 PHE 99 9.266 3.022 -4.481 747 HD2 PHE 99 HD1 PHE 99 10.285 7.037 -5.554 748 HE1 PHE 99 HE2 PHE 99 11.656 2.442 -4.437 749 HE2 PHE 99 HE1 PHE 99 12.669 6.443 -5.500 750 HZ PHE 99 HZ PHE 99 13.361 4.145 -4.942 751 H GLU 100 H GLU 100 7.732 8.198 -4.031 752 HA GLU 100 HA GLU 100 10.019 8.599 -2.343 753 HB2 GLU 100 1HB GLU 100 8.450 10.461 -4.107 754 HB3 GLU 100 2HB GLU 100 9.678 11.062 -2.996 755 HG2 GLU 100 1HG GLU 100 11.258 9.322 -4.130 756 HG3 GLU 100 2HG GLU 100 10.038 9.282 -5.406 757 H ASP 101 H ASP 101 6.591 9.090 -2.039 758 HA ASP 101 HA ASP 101 6.551 10.798 0.210 759 HB2 ASP 101 1HB ASP 101 4.558 10.408 -1.159 760 HB3 ASP 101 2HB ASP 101 4.573 8.693 -0.761 761 H ILE 102 H ILE 102 6.286 7.254 -0.007 762 HA ILE 102 HA ILE 102 6.461 6.605 2.693 763 HB ILE 102 HB ILE 102 7.282 4.967 0.255 764 HG12 ILE 102 1HG1 ILE 102 4.727 4.997 1.932 765 HG13 ILE 102 2HG1 ILE 102 4.895 5.572 0.279 766 HG21 ILE 102 1HG2 ILE 102 8.422 4.037 2.244 767 HG22 ILE 102 2HG2 ILE 102 7.166 2.941 1.673 768 HG23 ILE 102 3HG2 ILE 102 6.879 3.943 3.097 769 HD11 ILE 102 3HD1 ILE 102 3.761 3.464 0.316 770 HD12 ILE 102 1HD1 ILE 102 5.075 2.713 1.219 771 HD13 ILE 102 2HD1 ILE 102 5.337 3.251 -0.442 772 H ARG 103 H ARG 103 9.127 6.820 0.288 773 HA ARG 103 HA ARG 103 11.191 6.009 2.081 774 HB2 ARG 103 1HB ARG 103 12.818 6.647 0.455 775 HB3 ARG 103 2HB ARG 103 11.441 5.992 -0.398 776 HG2 ARG 103 1HG ARG 103 11.979 7.752 -1.765 777 HG3 ARG 103 2HG ARG 103 10.782 8.507 -0.721 778 HD2 ARG 103 1HD ARG 103 12.546 9.556 0.600 779 HD3 ARG 103 2HD ARG 103 13.780 8.726 -0.355 780 HE ARG 103 HE ARG 103 11.922 10.462 -1.806 781 HH11 ARG 103 1HH1 ARG 103 15.128 10.100 -0.434 782 HH12 ARG 103 2HH1 ARG 103 15.793 11.429 -1.323 783 HH21 ARG 103 1HH2 ARG 103 12.814 12.198 -2.995 784 HH22 ARG 103 2HH2 ARG 103 14.484 12.621 -2.766 785 H ALA 104 H ALA 104 9.675 9.095 1.578 786 HA ALA 104 HA ALA 104 11.617 10.711 2.956 787 HB1 ALA 104 3HB ALA 104 9.906 12.484 2.837 788 HB2 ALA 104 1HB ALA 104 8.712 11.310 2.277 789 HB3 ALA 104 2HB ALA 104 10.109 11.695 1.271 790 H LYS 105 H LYS 105 8.407 9.302 3.788 791 HA LYS 105 HA LYS 105 8.273 10.087 6.466 792 HB2 LYS 105 1HB LYS 105 6.439 9.153 4.898 793 HB3 LYS 105 2HB LYS 105 7.069 7.561 5.272 794 HG2 LYS 105 1HG LYS 105 5.424 7.592 6.849 795 HG3 LYS 105 2HG LYS 105 6.635 8.438 7.805 796 HD2 LYS 105 1HD LYS 105 4.440 9.767 6.162 797 HD3 LYS 105 2HD LYS 105 4.378 9.496 7.900 798 HE2 LYS 105 1HE LYS 105 6.308 11.002 8.206 799 HE3 LYS 105 2HE LYS 105 6.386 11.271 6.463 800 HZ1 LYS 105 3HZ LYS 105 5.222 13.058 7.595 801 HZ2 LYS 105 1HZ LYS 105 4.082 11.967 8.208 802 HZ3 LYS 105 2HZ LYS 105 4.178 12.244 6.545 803 H LEU 106 H LEU 106 9.712 7.250 4.964 804 HA LEU 106 HA LEU 106 10.500 5.853 7.311 805 HB2 LEU 106 1HB LEU 106 11.167 5.682 4.386 806 HB3 LEU 106 2HB LEU 106 12.270 4.892 5.496 807 HG LEU 106 HG LEU 106 10.554 3.375 6.281 808 HD11 LEU 106 1HD1 LEU 106 8.648 4.946 6.322 809 HD12 LEU 106 2HD1 LEU 106 8.244 3.422 5.547 810 HD13 LEU 106 3HD1 LEU 106 8.545 4.851 4.562 811 HD21 LEU 106 3HD2 LEU 106 10.417 3.596 3.251 812 HD22 LEU 106 1HD2 LEU 106 9.984 2.171 4.201 813 HD23 LEU 106 2HD2 LEU 106 11.651 2.737 4.176 814 H HIS 107 H HIS 107 11.876 8.535 5.586 815 HA HIS 107 HA HIS 107 14.335 8.537 7.187 816 HB2 HIS 107 1HB HIS 107 14.243 9.322 4.748 817 HB3 HIS 107 2HB HIS 107 13.348 10.733 5.304 818 HD1 HIS 107 HD1 HIS 107 16.715 9.063 5.658 819 HD2 HIS 107 HD2 HIS 107 14.965 12.765 6.328 820 HE1 HIS 107 HE1 HIS 107 18.596 10.591 6.281 821 HE2 HIS 107 HE2 HIS 107 17.480 12.759 6.878 822 H ALA 108 H ALA 108 11.120 9.737 7.309 823 HA ALA 108 HA ALA 108 9.857 10.648 8.891 824 HB1 ALA 108 3HB ALA 108 12.334 10.769 10.648 825 HB2 ALA 108 1HB ALA 108 11.185 9.430 10.568 826 HB3 ALA 108 2HB ALA 108 10.666 10.999 11.181 827 H HIS 109 H HIS 109 12.937 12.381 9.372 828 HA HIS 109 HA HIS 109 11.752 14.978 9.386 829 HB2 HIS 109 1HB HIS 109 14.670 14.100 9.176 830 HB3 HIS 109 2HB HIS 109 14.147 15.763 9.424 831 HD1 HIS 109 HD1 HIS 109 14.626 16.364 11.785 832 HD2 HIS 109 HD2 HIS 109 13.239 12.454 11.469 833 HE1 HIS 109 HE1 HIS 109 14.510 15.490 14.135 834 HE2 HIS 109 HE2 HIS 109 13.499 13.197 13.927 835 HA PRO 110 HA PRO 110 11.849 15.494 4.852 836 HB2 PRO 110 1HB PRO 110 11.317 18.373 5.277 837 HB3 PRO 110 2HB PRO 110 10.277 17.147 4.546 838 HG2 PRO 110 1HG PRO 110 9.737 18.252 6.977 839 HG3 PRO 110 2HG PRO 110 9.292 16.580 6.572 840 HD2 PRO 110 1HD PRO 110 11.666 17.582 8.160 841 HD3 PRO 110 2HD PRO 110 10.569 16.222 8.508 842 H GLY 111 H GLY 111 14.171 15.048 5.041 843 HA2 GLY 111 1HA GLY 111 16.067 17.258 5.202 844 HA3 GLY 111 2HA GLY 111 16.436 15.559 4.948 845 H GLU 112 H GLU 112 14.337 15.584 2.746 846 HA GLU 112 HA GLU 112 15.849 16.955 0.605 847 HB2 GLU 112 1HB GLU 112 14.717 14.120 0.566 848 HB3 GLU 112 2HB GLU 112 15.284 14.964 -0.871 849 HG2 GLU 112 1HG GLU 112 17.558 15.092 0.108 850 HG3 GLU 112 2HG GLU 112 16.981 14.214 1.529 851 HA PRO 113 HA PRO 113 11.688 18.365 -0.595 852 HB2 PRO 113 1HB PRO 113 12.758 18.850 -3.328 853 HB3 PRO 113 2HB PRO 113 12.138 20.015 -2.150 854 HG2 PRO 113 1HG PRO 113 14.780 19.880 -2.747 855 HG3 PRO 113 2HG PRO 113 14.203 20.286 -1.115 856 HD2 PRO 113 1HD PRO 113 15.209 17.631 -2.158 857 HD3 PRO 113 2HD PRO 113 15.607 18.468 -0.638 858 H VAL 114 H VAL 114 10.386 16.604 -0.686 859 HA VAL 114 HA VAL 114 10.833 14.316 -2.315 860 HB VAL 114 HB VAL 114 9.657 14.121 -0.178 861 HG11 VAL 114 1HG1 VAL 114 7.366 15.696 -1.412 862 HG12 VAL 114 2HG1 VAL 114 8.426 16.242 -0.113 863 HG13 VAL 114 3HG1 VAL 114 7.328 14.888 0.159 864 HG21 VAL 114 3HG2 VAL 114 7.803 12.636 -0.865 865 HG22 VAL 114 1HG2 VAL 114 9.232 12.393 -1.871 866 HG23 VAL 114 2HG2 VAL 114 7.861 13.310 -2.495 867 H ASP 115 H ASP 115 10.151 13.838 -4.341 868 HA ASP 115 HA ASP 115 9.454 16.117 -5.987 869 HB2 ASP 115 1HB ASP 115 11.338 14.464 -6.411 870 HB3 ASP 115 2HB ASP 115 10.125 13.273 -6.844 871 H LEU 116 H LEU 116 7.407 14.189 -4.354 872 HA LEU 116 HA LEU 116 5.602 13.077 -6.162 873 HB2 LEU 116 1HB LEU 116 3.886 13.270 -4.311 874 HB3 LEU 116 2HB LEU 116 5.373 12.439 -3.913 875 HG LEU 116 HG LEU 116 6.130 14.630 -2.766 876 HD11 LEU 116 1HD1 LEU 116 4.390 16.149 -1.936 877 HD12 LEU 116 2HD1 LEU 116 3.192 15.329 -2.941 878 HD13 LEU 116 3HD1 LEU 116 4.526 16.200 -3.693 879 HD21 LEU 116 3HD2 LEU 116 5.469 12.621 -1.516 880 HD22 LEU 116 1HD2 LEU 116 3.776 13.119 -1.572 881 HD23 LEU 116 2HD2 LEU 116 4.957 14.078 -0.676 882 H GLU 117 H GLU 117 6.057 16.392 -5.345 883 HA GLU 117 HA GLU 117 3.523 17.394 -6.179 884 HB2 GLU 117 1HB GLU 117 4.945 18.600 -4.577 885 HB3 GLU 117 2HB GLU 117 6.205 18.784 -5.792 886 HG2 GLU 117 1HG GLU 117 4.667 20.213 -7.142 887 HG3 GLU 117 2HG GLU 117 3.442 20.051 -5.881 888 H ARG 118 H ARG 118 6.517 16.628 -7.841 889 HA ARG 118 HA ARG 118 6.082 18.518 -9.990 890 HB2 ARG 118 1HB ARG 118 8.373 17.880 -8.933 891 HB3 ARG 118 2HB ARG 118 8.293 16.429 -9.923 892 HG2 ARG 118 1HG ARG 118 8.136 17.895 -11.965 893 HG3 ARG 118 2HG ARG 118 8.323 19.304 -10.922 894 HD2 ARG 118 1HD ARG 118 10.349 17.133 -11.505 895 HD3 ARG 118 2HD ARG 118 10.479 18.857 -11.864 896 HE ARG 118 HE ARG 118 10.418 17.818 -9.091 897 HH11 ARG 118 1HH1 ARG 118 11.988 19.856 -11.478 898 HH12 ARG 118 2HH1 ARG 118 13.199 20.406 -10.368 899 HH21 ARG 118 1HH2 ARG 118 12.018 18.499 -7.678 900 HH22 ARG 118 2HH2 ARG 118 13.222 19.627 -8.216 901 H ILE 119 H ILE 119 5.088 15.372 -9.363 902 HA ILE 119 HA ILE 119 4.812 14.276 -11.955 903 HB ILE 119 HB ILE 119 3.299 13.856 -9.340 904 HG12 ILE 119 1HG1 ILE 119 4.271 11.498 -9.581 905 HG13 ILE 119 2HG1 ILE 119 5.175 12.080 -10.971 906 HG21 ILE 119 1HG2 ILE 119 1.577 13.498 -11.033 907 HG22 ILE 119 2HG2 ILE 119 2.041 11.952 -10.323 908 HG23 ILE 119 3HG2 ILE 119 2.635 12.402 -11.924 909 HD11 ILE 119 3HD1 ILE 119 6.375 13.632 -9.517 910 HD12 ILE 119 1HD1 ILE 119 6.542 11.955 -8.994 911 HD13 ILE 119 2HD1 ILE 119 5.448 13.038 -8.136 912 H ILE 120 H ILE 120 3.364 16.985 -10.499 913 HA ILE 120 HA ILE 120 1.912 18.551 -11.058 914 HB ILE 120 HB ILE 120 1.205 16.936 -13.555 915 HG12 ILE 120 1HG1 ILE 120 2.784 19.527 -13.147 916 HG13 ILE 120 2HG1 ILE 120 3.443 17.978 -13.663 917 HG21 ILE 120 1HG2 ILE 120 -0.133 18.903 -14.301 918 HG22 ILE 120 2HG2 ILE 120 0.153 19.685 -12.746 919 HG23 ILE 120 3HG2 ILE 120 -0.793 18.202 -12.824 920 HD11 ILE 120 3HD1 ILE 120 3.301 19.484 -15.525 921 HD12 ILE 120 1HD1 ILE 120 1.587 19.767 -15.226 922 HD13 ILE 120 2HD1 ILE 120 2.140 18.177 -15.759 923 H ARG 121 H ARG 121 0.379 18.740 -9.694 924 HA ARG 121 HA ARG 121 -1.805 16.798 -9.387 925 HB2 ARG 121 1HB ARG 121 -1.397 16.881 -6.858 926 HB3 ARG 121 2HB ARG 121 -0.224 15.954 -7.784 927 HG2 ARG 121 1HG ARG 121 1.423 17.724 -7.622 928 HG3 ARG 121 2HG ARG 121 0.242 18.824 -6.900 929 HD2 ARG 121 1HD ARG 121 1.869 17.811 -5.271 930 HD3 ARG 121 2HD ARG 121 0.168 17.540 -4.867 931 HE ARG 121 HE ARG 121 1.514 15.420 -6.372 932 HH11 ARG 121 1HH1 ARG 121 0.549 16.540 -3.179 933 HH12 ARG 121 2HH1 ARG 121 0.571 14.949 -2.491 934 HH21 ARG 121 1HH2 ARG 121 1.565 13.352 -5.433 935 HH22 ARG 121 2HH2 ARG 121 1.150 13.155 -3.758 936 H HIS 122 H HIS 122 -1.200 19.764 -10.193 937 HA HIS 122 HA HIS 122 -2.507 21.447 -8.299 938 HB2 HIS 122 1HB HIS 122 -0.941 22.357 -9.977 939 HB3 HIS 122 2HB HIS 122 -2.018 21.886 -11.281 940 HD1 HIS 122 HD1 HIS 122 -1.612 24.462 -8.566 941 HD2 HIS 122 HD2 HIS 122 -4.183 23.651 -11.728 942 HE1 HIS 122 HE1 HIS 122 -3.030 26.509 -8.839 943 HE2 HIS 122 HE2 HIS 122 -4.481 26.044 -10.829 944 H GLU 123 H GLU 123 -4.605 21.849 -8.016 945 HA GLU 123 HA GLU 123 -6.618 20.750 -9.892 946 HB2 GLU 123 1HB GLU 123 -8.127 20.610 -7.912 947 HB3 GLU 123 2HB GLU 123 -6.679 19.625 -7.731 948 HG2 GLU 123 1HG GLU 123 -5.694 21.534 -6.347 949 HG3 GLU 123 2HG GLU 123 -7.295 22.269 -6.369 950 H GLY 124 H GLY 124 -5.758 23.521 -7.836 951 HA2 GLY 124 1HA GLY 124 -6.523 25.577 -9.451 952 HA3 GLY 124 2HA GLY 124 -8.019 25.134 -8.630 953 H SER 125 H SER 125 -7.806 27.390 -7.912 954 HA SER 125 HA SER 125 -6.022 27.768 -5.584 955 HB2 SER 125 1HB SER 125 -7.616 29.841 -7.167 956 HB3 SER 125 2HB SER 125 -6.483 30.180 -5.858 957 HG SER 125 HG SER 125 -5.404 28.632 -7.848 Start of MODEL 6 1 H1 GLN 1 1H GLN 1 -21.728 11.854 -1.532 2 H2 GLN 1 2H GLN 1 -21.571 10.255 -2.057 3 H3 GLN 1 3H GLN 1 -20.316 11.354 -2.303 4 HA GLN 1 HA GLN 1 -19.936 11.561 0.023 5 HB2 GLN 1 1HB GLN 1 -22.161 9.486 0.276 6 HB3 GLN 1 2HB GLN 1 -21.129 10.010 1.605 7 HG2 GLN 1 1HG GLN 1 -23.091 11.746 0.070 8 HG3 GLN 1 2HG GLN 1 -23.320 11.109 1.699 9 HE21 GLN 1 2HE2 GLN 1 -23.264 13.883 0.722 10 HE22 GLN 1 1HE2 GLN 1 -22.055 14.690 1.661 11 H GLY 2 H GLY 2 -18.110 10.498 0.571 12 HA2 GLY 2 1HA GLY 2 -17.530 7.797 0.521 13 HA3 GLY 2 2HA GLY 2 -17.091 8.398 -1.077 14 H HIS 3 H HIS 3 -15.089 7.368 0.326 15 HA HIS 3 HA HIS 3 -13.725 9.410 1.902 16 HB2 HIS 3 1HB HIS 3 -13.077 6.511 1.272 17 HB3 HIS 3 2HB HIS 3 -11.906 7.568 2.058 18 HD1 HIS 3 HD1 HIS 3 -12.067 7.707 4.553 19 HD2 HIS 3 HD2 HIS 3 -15.594 6.294 2.862 20 HE1 HIS 3 HE1 HIS 3 -13.549 7.115 6.485 21 HE2 HIS 3 HE2 HIS 3 -15.731 6.439 5.436 22 H MET 4 H MET 4 -11.289 9.617 1.421 23 HA MET 4 HA MET 4 -10.808 10.197 -1.426 24 HB2 MET 4 1HB MET 4 -11.890 12.181 -0.228 25 HB3 MET 4 2HB MET 4 -10.498 12.237 0.836 26 HG2 MET 4 1HG MET 4 -10.226 13.958 -0.780 27 HG3 MET 4 2HG MET 4 -9.079 12.693 -1.201 28 HE1 MET 4 3HE MET 4 -10.202 11.523 -4.678 29 HE2 MET 4 1HE MET 4 -9.968 10.701 -3.133 30 HE3 MET 4 2HE MET 4 -8.808 11.916 -3.670 31 H PHE 5 H PHE 5 -8.419 10.962 -1.672 32 HA PHE 5 HA PHE 5 -6.632 9.273 -0.162 33 HB2 PHE 5 1HB PHE 5 -6.120 9.568 -2.521 34 HB3 PHE 5 2HB PHE 5 -6.124 11.323 -2.368 35 HD1 PHE 5 HD1 PHE 5 -4.380 8.350 -0.846 36 HD2 PHE 5 HD2 PHE 5 -3.996 12.369 -2.257 37 HE1 PHE 5 HE1 PHE 5 -1.979 8.302 -0.342 38 HE2 PHE 5 HE2 PHE 5 -1.589 12.305 -1.759 39 HZ PHE 5 HZ PHE 5 -0.578 10.277 -0.794 40 H GLU 6 H GLU 6 -5.678 9.826 1.606 41 HA GLU 6 HA GLU 6 -4.880 12.586 2.236 42 HB2 GLU 6 1HB GLU 6 -5.527 12.204 4.590 43 HB3 GLU 6 2HB GLU 6 -6.926 11.970 3.546 44 HG2 GLU 6 1HG GLU 6 -6.306 9.444 3.625 45 HG3 GLU 6 2HG GLU 6 -5.295 9.877 5.000 46 HA PRO 7 HA PRO 7 -0.823 10.633 3.194 47 HB2 PRO 7 1HB PRO 7 -1.010 12.372 5.658 48 HB3 PRO 7 2HB PRO 7 0.352 12.133 4.552 49 HG2 PRO 7 1HG PRO 7 -1.126 14.353 4.404 50 HG3 PRO 7 2HG PRO 7 -0.551 13.559 2.920 51 HD2 PRO 7 1HD PRO 7 -3.304 13.562 4.131 52 HD3 PRO 7 2HD PRO 7 -2.820 13.541 2.418 53 H GLY 8 H GLY 8 -1.124 8.526 3.805 54 HA2 GLY 8 1HA GLY 8 -0.840 7.041 5.737 55 HA3 GLY 8 2HA GLY 8 -2.145 7.905 6.534 56 H HIS 9 H HIS 9 -3.443 7.950 3.668 57 HA HIS 9 HA HIS 9 -4.452 5.220 3.482 58 HB2 HIS 9 1HB HIS 9 -5.849 5.947 5.295 59 HB3 HIS 9 2HB HIS 9 -6.146 7.507 4.546 60 HD1 HIS 9 HD1 HIS 9 -8.278 7.720 3.314 61 HD2 HIS 9 HD2 HIS 9 -7.169 3.740 3.772 62 HE1 HIS 9 HE1 HIS 9 -10.160 6.385 2.343 63 HE2 HIS 9 HE2 HIS 9 -9.590 4.003 2.905 64 H LEU 10 H LEU 10 -4.564 4.835 1.381 65 HA LEU 10 HA LEU 10 -5.403 6.896 -0.558 66 HB2 LEU 10 1HB LEU 10 -3.290 5.757 -1.075 67 HB3 LEU 10 2HB LEU 10 -4.041 4.183 -0.865 68 HG LEU 10 HG LEU 10 -5.442 4.597 -2.902 69 HD11 LEU 10 1HD1 LEU 10 -4.925 6.463 -4.417 70 HD12 LEU 10 2HD1 LEU 10 -3.790 7.126 -3.239 71 HD13 LEU 10 3HD1 LEU 10 -5.513 7.058 -2.864 72 HD21 LEU 10 3HD2 LEU 10 -3.326 3.353 -3.087 73 HD22 LEU 10 1HD2 LEU 10 -2.452 4.860 -3.379 74 HD23 LEU 10 2HD2 LEU 10 -3.645 4.286 -4.548 75 H HIS 11 H HIS 11 -7.320 6.595 -1.748 76 HA HIS 11 HA HIS 11 -8.895 4.122 -1.276 77 HB2 HIS 11 1HB HIS 11 -9.957 6.091 -0.235 78 HB3 HIS 11 2HB HIS 11 -9.866 6.973 -1.749 79 HD1 HIS 11 HD1 HIS 11 -12.361 7.311 -2.016 80 HD2 HIS 11 HD2 HIS 11 -11.319 3.305 -1.656 81 HE1 HIS 11 HE1 HIS 11 -14.448 6.031 -2.491 82 HE2 HIS 11 HE2 HIS 11 -13.861 3.638 -2.042 83 H LEU 12 H LEU 12 -9.161 2.897 -3.071 84 HA LEU 12 HA LEU 12 -8.899 4.087 -5.761 85 HB2 LEU 12 1HB LEU 12 -9.021 1.144 -4.987 86 HB3 LEU 12 2HB LEU 12 -8.696 1.788 -6.587 87 HG LEU 12 HG LEU 12 -6.857 1.972 -4.164 88 HD11 LEU 12 1HD1 LEU 12 -6.883 -0.268 -5.188 89 HD12 LEU 12 2HD1 LEU 12 -5.343 0.531 -5.491 90 HD13 LEU 12 3HD1 LEU 12 -6.550 0.433 -6.775 91 HD21 LEU 12 3HD2 LEU 12 -5.214 3.031 -5.698 92 HD22 LEU 12 1HD2 LEU 12 -6.650 4.031 -5.466 93 HD23 LEU 12 2HD2 LEU 12 -6.451 3.105 -6.957 94 H VAL 13 H VAL 13 -10.792 4.573 -6.800 95 HA VAL 13 HA VAL 13 -12.875 2.454 -6.837 96 HB VAL 13 HB VAL 13 -14.548 4.151 -7.631 97 HG11 VAL 13 1HG1 VAL 13 -13.436 4.733 -4.859 98 HG12 VAL 13 2HG1 VAL 13 -14.582 3.457 -5.275 99 HG13 VAL 13 3HG1 VAL 13 -15.057 5.149 -5.426 100 HG21 VAL 13 3HG2 VAL 13 -14.140 6.563 -7.304 101 HG22 VAL 13 1HG2 VAL 13 -12.996 5.880 -8.462 102 HG23 VAL 13 2HG2 VAL 13 -12.480 6.225 -6.810 103 H SER 14 H SER 14 -13.936 2.339 -9.133 104 HA SER 14 HA SER 14 -11.749 1.710 -10.833 105 HB2 SER 14 1HB SER 14 -13.662 0.249 -10.783 106 HB3 SER 14 2HB SER 14 -14.771 1.553 -11.169 107 HG SER 14 HG SER 14 -12.985 0.160 -12.811 108 H LEU 15 H LEU 15 -10.902 2.825 -12.478 109 HA LEU 15 HA LEU 15 -11.336 5.596 -12.778 110 HB2 LEU 15 1HB LEU 15 -9.789 3.713 -14.579 111 HB3 LEU 15 2HB LEU 15 -9.645 5.463 -14.577 112 HG LEU 15 HG LEU 15 -8.868 3.627 -12.272 113 HD11 LEU 15 1HD1 LEU 15 -6.545 4.237 -12.801 114 HD12 LEU 15 2HD1 LEU 15 -7.102 5.163 -14.197 115 HD13 LEU 15 3HD1 LEU 15 -7.318 3.412 -14.155 116 HD21 LEU 15 3HD2 LEU 15 -8.511 6.643 -12.513 117 HD22 LEU 15 1HD2 LEU 15 -7.907 5.629 -11.198 118 HD23 LEU 15 2HD2 LEU 15 -9.642 5.822 -11.433 119 HA PRO 16 HA PRO 16 -15.093 4.900 -15.056 120 HB2 PRO 16 1HB PRO 16 -15.790 7.511 -15.618 121 HB3 PRO 16 2HB PRO 16 -15.914 6.793 -14.005 122 HG2 PRO 16 1HG PRO 16 -13.688 8.490 -15.145 123 HG3 PRO 16 2HG PRO 16 -14.518 8.646 -13.578 124 HD2 PRO 16 1HD PRO 16 -12.117 7.450 -13.775 125 HD3 PRO 16 2HD PRO 16 -13.341 6.835 -12.644 126 H GLY 17 H GLY 17 -15.768 4.529 -17.125 127 HA2 GLY 17 1HA GLY 17 -15.914 5.430 -19.447 128 HA3 GLY 17 2HA GLY 17 -14.164 5.592 -19.403 129 H LEU 18 H LEU 18 -14.079 2.960 -17.839 130 HA LEU 18 HA LEU 18 -13.892 1.237 -20.218 131 HB2 LEU 18 1HB LEU 18 -12.919 0.769 -17.373 132 HB3 LEU 18 2HB LEU 18 -12.568 -0.255 -18.756 133 HG LEU 18 HG LEU 18 -11.621 2.631 -18.459 134 HD11 LEU 18 1HD1 LEU 18 -10.504 1.190 -16.817 135 HD12 LEU 18 2HD1 LEU 18 -9.380 1.687 -18.080 136 HD13 LEU 18 3HD1 LEU 18 -10.051 0.055 -18.095 137 HD21 LEU 18 3HD2 LEU 18 -11.893 2.004 -20.818 138 HD22 LEU 18 1HD2 LEU 18 -10.922 0.547 -20.565 139 HD23 LEU 18 2HD2 LEU 18 -10.186 2.143 -20.408 140 H ASP 19 H ASP 19 -14.842 0.585 -16.837 141 HA ASP 19 HA ASP 19 -17.313 -0.749 -17.560 142 HB2 ASP 19 1HB ASP 19 -15.689 -2.562 -17.968 143 HB3 ASP 19 2HB ASP 19 -14.931 -2.291 -16.403 144 H GLN 20 H GLN 20 -18.744 -0.352 -15.954 145 HA GLN 20 HA GLN 20 -17.807 0.962 -13.510 146 HB2 GLN 20 1HB GLN 20 -19.827 1.686 -15.074 147 HB3 GLN 20 2HB GLN 20 -20.735 0.479 -14.185 148 HG2 GLN 20 1HG GLN 20 -19.398 2.947 -13.028 149 HG3 GLN 20 2HG GLN 20 -21.121 2.732 -13.297 150 HE21 GLN 20 2HE2 GLN 20 -22.267 1.281 -11.905 151 HE22 GLN 20 1HE2 GLN 20 -21.639 0.852 -10.352 152 H GLN 21 H GLN 21 -16.837 -1.342 -13.079 153 HA GLN 21 HA GLN 21 -18.576 -3.088 -11.589 154 HB2 GLN 21 1HB GLN 21 -16.368 -3.754 -12.666 155 HB3 GLN 21 2HB GLN 21 -15.554 -2.876 -11.380 156 HG2 GLN 21 1HG GLN 21 -16.440 -4.388 -9.707 157 HG3 GLN 21 2HG GLN 21 -17.431 -5.211 -10.913 158 HE21 GLN 21 2HE2 GLN 21 -15.346 -6.274 -9.138 159 HE22 GLN 21 1HE2 GLN 21 -14.201 -7.048 -10.171 160 H ASP 22 H ASP 22 -18.719 -3.262 -9.311 161 HA ASP 22 HA ASP 22 -18.614 -0.652 -7.988 162 HB2 ASP 22 1HB ASP 22 -20.008 -3.270 -7.325 163 HB3 ASP 22 2HB ASP 22 -19.995 -1.903 -6.213 164 H ILE 23 H ILE 23 -16.263 -0.879 -8.005 165 HA ILE 23 HA ILE 23 -15.221 -2.453 -5.719 166 HB ILE 23 HB ILE 23 -13.018 -2.364 -6.681 167 HG12 ILE 23 1HG1 ILE 23 -12.958 -1.272 -9.211 168 HG13 ILE 23 2HG1 ILE 23 -14.049 -0.150 -8.408 169 HG21 ILE 23 1HG2 ILE 23 -14.988 -3.042 -8.866 170 HG22 ILE 23 2HG2 ILE 23 -14.459 -4.110 -7.568 171 HG23 ILE 23 3HG2 ILE 23 -13.309 -3.583 -8.798 172 HD11 ILE 23 3HD1 ILE 23 -11.727 0.595 -8.377 173 HD12 ILE 23 1HD1 ILE 23 -11.257 -0.847 -7.480 174 HD13 ILE 23 2HD1 ILE 23 -12.337 0.342 -6.743 175 H ASN 24 H ASN 24 -14.239 -1.544 -4.090 176 HA ASN 24 HA ASN 24 -13.183 1.140 -4.165 177 HB2 ASN 24 1HB ASN 24 -14.303 1.961 -2.157 178 HB3 ASN 24 2HB ASN 24 -15.499 1.579 -3.383 179 HD21 ASN 24 2HD2 ASN 24 -16.818 -0.273 -3.074 180 HD22 ASN 24 1HD2 ASN 24 -17.085 -0.896 -1.482 181 H ILE 25 H ILE 25 -11.373 1.187 -2.990 182 HA ILE 25 HA ILE 25 -10.650 -1.205 -1.396 183 HB ILE 25 HB ILE 25 -8.875 0.114 -3.506 184 HG12 ILE 25 1HG1 ILE 25 -10.155 -2.667 -3.589 185 HG13 ILE 25 2HG1 ILE 25 -10.764 -1.276 -4.475 186 HG21 ILE 25 1HG2 ILE 25 -8.354 -2.329 -1.751 187 HG22 ILE 25 2HG2 ILE 25 -7.562 -0.757 -1.612 188 HG23 ILE 25 3HG2 ILE 25 -7.292 -1.753 -3.041 189 HD11 ILE 25 3HD1 ILE 25 -9.481 -2.793 -5.869 190 HD12 ILE 25 1HD1 ILE 25 -8.058 -2.541 -4.862 191 HD13 ILE 25 2HD1 ILE 25 -8.732 -1.199 -5.793 192 H HIS 26 H HIS 26 -9.743 -0.688 0.456 193 HA HIS 26 HA HIS 26 -8.913 2.093 1.022 194 HB2 HIS 26 1HB HIS 26 -9.322 -0.129 3.083 195 HB3 HIS 26 2HB HIS 26 -9.284 1.607 3.351 196 HD1 HIS 26 HD1 HIS 26 -11.516 1.499 4.626 197 HD2 HIS 26 HD2 HIS 26 -11.835 0.125 0.726 198 HE1 HIS 26 HE1 HIS 26 -13.966 1.223 4.194 199 HE2 HIS 26 HE2 HIS 26 -14.111 0.216 1.899 200 H ILE 27 H ILE 27 -6.718 2.224 0.598 201 HA ILE 27 HA ILE 27 -4.987 -0.070 1.295 202 HB ILE 27 HB ILE 27 -4.375 2.353 -0.473 203 HG12 ILE 27 1HG1 ILE 27 -4.799 -0.606 -1.165 204 HG13 ILE 27 2HG1 ILE 27 -5.863 0.726 -1.599 205 HG21 ILE 27 1HG2 ILE 27 -2.194 1.259 -0.955 206 HG22 ILE 27 2HG2 ILE 27 -2.568 -0.019 0.202 207 HG23 ILE 27 3HG2 ILE 27 -2.343 1.639 0.762 208 HD11 ILE 27 3HD1 ILE 27 -4.585 -0.013 -3.502 209 HD12 ILE 27 1HD1 ILE 27 -3.071 0.261 -2.643 210 HD13 ILE 27 2HD1 ILE 27 -4.108 1.627 -3.066 211 H ARG 28 H ARG 28 -4.505 0.103 3.298 212 HA ARG 28 HA ARG 28 -3.944 2.655 4.631 213 HB2 ARG 28 1HB ARG 28 -4.406 -0.127 5.808 214 HB3 ARG 28 2HB ARG 28 -4.261 1.377 6.711 215 HG2 ARG 28 1HG ARG 28 -6.374 2.188 5.669 216 HG3 ARG 28 2HG ARG 28 -6.527 0.650 4.813 217 HD2 ARG 28 1HD ARG 28 -7.939 0.712 6.837 218 HD3 ARG 28 2HD ARG 28 -6.713 -0.550 6.954 219 HE ARG 28 HE ARG 28 -6.753 2.012 8.435 220 HH11 ARG 28 1HH1 ARG 28 -5.406 -1.215 8.077 221 HH12 ARG 28 2HH1 ARG 28 -4.431 -1.099 9.509 222 HH21 ARG 28 1HH2 ARG 28 -5.502 2.119 10.343 223 HH22 ARG 28 2HH2 ARG 28 -4.491 0.777 10.788 224 H TYR 29 H TYR 29 -1.832 3.122 4.446 225 HA TYR 29 HA TYR 29 0.193 0.978 4.724 226 HB2 TYR 29 1HB TYR 29 1.744 2.621 3.534 227 HB3 TYR 29 2HB TYR 29 0.479 1.917 2.539 228 HD1 TYR 29 HD2 TYR 29 -1.563 3.336 1.946 229 HD2 TYR 29 HD1 TYR 29 1.913 5.042 3.767 230 HE1 TYR 29 HE2 TYR 29 -2.291 5.571 1.250 231 HE2 TYR 29 HE1 TYR 29 1.178 7.278 3.069 232 HH TYR 29 HH TYR 29 -0.293 8.292 1.359 233 H GLU 30 H GLU 30 1.090 0.999 6.615 234 HA GLU 30 HA GLU 30 1.229 3.454 8.270 235 HB2 GLU 30 1HB GLU 30 0.836 0.552 9.181 236 HB3 GLU 30 2HB GLU 30 0.871 1.972 10.226 237 HG2 GLU 30 1HG GLU 30 -1.221 2.791 9.240 238 HG3 GLU 30 2HG GLU 30 -1.238 1.450 8.095 239 H VAL 31 H VAL 31 3.353 4.048 8.234 240 HA VAL 31 HA VAL 31 5.486 2.082 8.015 241 HB VAL 31 HB VAL 31 5.740 5.091 8.493 242 HG11 VAL 31 1HG1 VAL 31 7.794 3.069 7.491 243 HG12 VAL 31 2HG1 VAL 31 7.799 3.866 9.066 244 HG13 VAL 31 3HG1 VAL 31 8.042 4.815 7.600 245 HG21 VAL 31 3HG2 VAL 31 5.767 3.574 5.849 246 HG22 VAL 31 1HG2 VAL 31 6.116 5.292 6.053 247 HG23 VAL 31 2HG2 VAL 31 4.504 4.674 6.405 248 H ARG 32 H ARG 32 6.208 1.037 9.694 249 HA ARG 32 HA ARG 32 6.263 2.248 12.399 250 HB2 ARG 32 1HB ARG 32 4.399 0.559 12.164 251 HB3 ARG 32 2HB ARG 32 5.589 -0.650 11.704 252 HG2 ARG 32 1HG ARG 32 6.680 -0.112 14.029 253 HG3 ARG 32 2HG ARG 32 5.117 0.611 14.407 254 HD2 ARG 32 1HD ARG 32 4.026 -1.564 13.862 255 HD3 ARG 32 2HD ARG 32 5.628 -2.261 13.580 256 HE ARG 32 HE ARG 32 4.538 -1.355 16.174 257 HH11 ARG 32 1HH1 ARG 32 6.976 -3.166 14.421 258 HH12 ARG 32 2HH1 ARG 32 7.611 -3.921 15.845 259 HH21 ARG 32 1HH2 ARG 32 5.372 -2.365 18.037 260 HH22 ARG 32 2HH2 ARG 32 6.698 -3.479 17.890 261 H GLN 33 H GLN 33 8.003 1.421 13.719 262 HA GLN 33 HA GLN 33 10.249 0.260 12.198 263 HB2 GLN 33 1HB GLN 33 10.446 1.706 14.871 264 HB3 GLN 33 2HB GLN 33 11.767 1.252 13.800 265 HG2 GLN 33 1HG GLN 33 9.670 3.365 13.234 266 HG3 GLN 33 2HG GLN 33 11.317 3.672 13.767 267 HE21 GLN 33 2HE2 GLN 33 9.288 2.866 11.084 268 HE22 GLN 33 1HE2 GLN 33 10.503 2.981 9.861 269 H ASN 34 H ASN 34 10.242 -1.848 12.464 270 HA ASN 34 HA ASN 34 9.694 -3.114 15.063 271 HB2 ASN 34 1HB ASN 34 9.554 -5.221 13.906 272 HB3 ASN 34 2HB ASN 34 8.601 -4.058 13.012 273 HD21 ASN 34 2HD2 ASN 34 11.095 -2.935 11.666 274 HD22 ASN 34 1HD2 ASN 34 11.460 -4.106 10.473 275 H ALA 35 H ALA 35 11.242 -4.433 16.119 276 HA ALA 35 HA ALA 35 13.968 -3.563 15.906 277 HB1 ALA 35 3HB ALA 35 12.949 -4.100 18.074 278 HB2 ALA 35 1HB ALA 35 14.383 -5.091 17.789 279 HB3 ALA 35 2HB ALA 35 12.772 -5.785 17.589 280 H GLU 36 H GLU 36 12.176 -6.090 14.447 281 HA GLU 36 HA GLU 36 14.204 -8.019 13.971 282 HB2 GLU 36 1HB GLU 36 11.823 -8.601 13.879 283 HB3 GLU 36 2HB GLU 36 11.560 -7.470 12.561 284 HG2 GLU 36 1HG GLU 36 11.566 -9.724 11.694 285 HG3 GLU 36 2HG GLU 36 12.978 -8.866 11.083 286 H SER 37 H SER 37 12.859 -5.410 11.897 287 HA SER 37 HA SER 37 15.078 -5.812 9.955 288 HB2 SER 37 1HB SER 37 12.929 -6.815 9.169 289 HB3 SER 37 2HB SER 37 12.159 -5.235 9.298 290 HG SER 37 HG SER 37 13.677 -6.253 7.315 291 H GLY 38 H GLY 38 13.994 -3.669 12.142 292 HA2 GLY 38 1HA GLY 38 14.561 -1.452 12.492 293 HA3 GLY 38 2HA GLY 38 15.239 -1.377 10.870 294 H ALA 39 H ALA 39 14.128 -0.092 9.500 295 HA ALA 39 HA ALA 39 11.418 0.804 10.035 296 HB1 ALA 39 3HB ALA 39 13.087 2.352 9.073 297 HB2 ALA 39 1HB ALA 39 11.716 2.147 7.979 298 HB3 ALA 39 2HB ALA 39 13.245 1.329 7.643 299 H TYR 40 H TYR 40 9.581 0.047 9.106 300 HA TYR 40 HA TYR 40 9.630 -1.266 6.504 301 HB2 TYR 40 1HB TYR 40 8.778 -3.376 7.078 302 HB3 TYR 40 2HB TYR 40 9.861 -3.091 8.432 303 HD1 TYR 40 HD1 TYR 40 8.832 -2.315 10.673 304 HD2 TYR 40 HD2 TYR 40 6.442 -3.748 7.430 305 HE1 TYR 40 HE1 TYR 40 6.960 -2.700 12.207 306 HE2 TYR 40 HE2 TYR 40 4.573 -4.127 8.964 307 HH TYR 40 HH TYR 40 4.167 -4.486 11.314 308 H VAL 41 H VAL 41 7.350 -1.594 5.696 309 HA VAL 41 HA VAL 41 5.399 0.234 6.975 310 HB VAL 41 HB VAL 41 5.484 -0.289 3.968 311 HG11 VAL 41 1HG1 VAL 41 4.082 1.752 3.843 312 HG12 VAL 41 2HG1 VAL 41 4.123 1.894 5.602 313 HG13 VAL 41 3HG1 VAL 41 3.336 0.508 4.847 314 HG21 VAL 41 3HG2 VAL 41 6.574 1.916 3.651 315 HG22 VAL 41 1HG2 VAL 41 7.617 0.791 4.521 316 HG23 VAL 41 2HG2 VAL 41 6.776 2.069 5.398 317 H HIS 42 H HIS 42 3.686 -0.879 7.691 318 HA HIS 42 HA HIS 42 2.922 -3.487 6.687 319 HB2 HIS 42 1HB HIS 42 2.551 -3.269 9.022 320 HB3 HIS 42 2HB HIS 42 1.910 -1.641 8.878 321 HD1 HIS 42 HD1 HIS 42 0.862 -5.256 8.457 322 HD2 HIS 42 HD2 HIS 42 -0.844 -1.478 8.539 323 HE1 HIS 42 HE1 HIS 42 -1.609 -5.639 8.546 324 HE2 HIS 42 HE2 HIS 42 -2.589 -3.344 8.810 325 H PHE 43 H PHE 43 1.800 -3.609 4.838 326 HA PHE 43 HA PHE 43 -0.023 -1.420 4.026 327 HB2 PHE 43 1HB PHE 43 1.029 -3.795 2.419 328 HB3 PHE 43 2HB PHE 43 -0.002 -2.513 1.789 329 HD1 PHE 43 HD1 PHE 43 0.915 -0.121 1.730 330 HD2 PHE 43 HD2 PHE 43 3.423 -3.510 2.499 331 HE1 PHE 43 HE1 PHE 43 2.907 1.205 1.148 332 HE2 PHE 43 HE2 PHE 43 5.400 -2.172 1.913 333 HZ PHE 43 HZ PHE 43 5.147 0.186 1.239 334 H ASP 44 H ASP 44 -2.178 -1.771 3.916 335 HA ASP 44 HA ASP 44 -3.314 -4.424 4.520 336 HB2 ASP 44 1HB ASP 44 -3.076 -3.239 6.677 337 HB3 ASP 44 2HB ASP 44 -3.902 -1.830 6.022 338 H MET 45 H MET 45 -5.360 -4.726 3.617 339 HA MET 45 HA MET 45 -6.505 -2.590 1.940 340 HB2 MET 45 1HB MET 45 -5.748 -5.371 0.919 341 HB3 MET 45 2HB MET 45 -6.701 -4.201 0.017 342 HG2 MET 45 1HG MET 45 -4.772 -2.666 -0.039 343 HG3 MET 45 2HG MET 45 -3.816 -3.836 0.874 344 HE1 MET 45 3HE MET 45 -5.383 -4.629 -3.404 345 HE2 MET 45 1HE MET 45 -5.696 -3.138 -2.519 346 HE3 MET 45 2HE MET 45 -6.438 -4.650 -1.990 347 H ASP 46 H ASP 46 -8.656 -2.563 2.070 348 HA ASP 46 HA ASP 46 -10.207 -5.023 2.318 349 HB2 ASP 46 1HB ASP 46 -11.491 -4.395 4.260 350 HB3 ASP 46 2HB ASP 46 -9.796 -4.282 4.711 351 H GLY 47 H GLY 47 -12.631 -4.413 2.274 352 HA2 GLY 47 1HA GLY 47 -14.042 -2.286 1.723 353 HA3 GLY 47 2HA GLY 47 -13.078 -2.293 0.247 354 H GLU 48 H GLU 48 -14.497 -2.869 -1.293 355 HA GLU 48 HA GLU 48 -15.395 -5.624 -1.337 356 HB2 GLU 48 1HB GLU 48 -17.728 -5.303 -1.619 357 HB3 GLU 48 2HB GLU 48 -17.316 -4.241 -0.277 358 HG2 GLU 48 1HG GLU 48 -17.194 -2.352 -1.972 359 HG3 GLU 48 2HG GLU 48 -17.886 -3.464 -3.144 360 H ILE 49 H ILE 49 -16.698 -5.794 -3.790 361 HA ILE 49 HA ILE 49 -15.271 -4.549 -5.763 362 HB ILE 49 HB ILE 49 -14.037 -7.179 -4.811 363 HG12 ILE 49 1HG1 ILE 49 -12.783 -4.551 -5.769 364 HG13 ILE 49 2HG1 ILE 49 -12.874 -5.101 -4.101 365 HG21 ILE 49 1HG2 ILE 49 -13.946 -6.071 -7.644 366 HG22 ILE 49 2HG2 ILE 49 -14.675 -7.592 -7.127 367 HG23 ILE 49 3HG2 ILE 49 -12.925 -7.389 -7.049 368 HD11 ILE 49 3HD1 ILE 49 -10.653 -5.378 -5.022 369 HD12 ILE 49 1HD1 ILE 49 -11.284 -6.414 -6.302 370 HD13 ILE 49 2HD1 ILE 49 -11.363 -6.938 -4.617 371 H ASP 50 H ASP 50 -17.017 -4.639 -7.101 372 HA ASP 50 HA ASP 50 -18.835 -5.328 -8.270 373 HB2 ASP 50 1HB ASP 50 -17.116 -7.066 -9.082 374 HB3 ASP 50 2HB ASP 50 -17.795 -8.182 -7.907 375 H GLY 51 H GLY 51 -19.101 -4.880 -5.502 376 HA2 GLY 51 1HA GLY 51 -20.742 -5.091 -3.900 377 HA3 GLY 51 2HA GLY 51 -21.388 -6.490 -4.732 378 H LYS 52 H LYS 52 -18.558 -7.752 -4.605 379 HA LYS 52 HA LYS 52 -19.041 -9.195 -2.153 380 HB2 LYS 52 1HB LYS 52 -16.972 -9.501 -4.348 381 HB3 LYS 52 2HB LYS 52 -17.005 -10.539 -2.934 382 HG2 LYS 52 1HG LYS 52 -18.073 -11.822 -4.551 383 HG3 LYS 52 2HG LYS 52 -19.418 -11.140 -3.640 384 HD2 LYS 52 1HD LYS 52 -19.811 -9.482 -5.405 385 HD3 LYS 52 2HD LYS 52 -18.385 -10.041 -6.283 386 HE2 LYS 52 1HE LYS 52 -19.461 -12.274 -6.565 387 HE3 LYS 52 2HE LYS 52 -20.897 -11.668 -5.739 388 HZ1 LYS 52 3HZ LYS 52 -21.135 -11.616 -8.141 389 HZ2 LYS 52 1HZ LYS 52 -19.793 -10.598 -8.278 390 HZ3 LYS 52 2HZ LYS 52 -21.188 -10.055 -7.494 391 HA PRO 53 HA PRO 53 -15.988 -6.636 0.130 392 HB2 PRO 53 1HB PRO 53 -16.285 -7.805 2.586 393 HB3 PRO 53 2HB PRO 53 -17.456 -6.652 1.925 394 HG2 PRO 53 1HG PRO 53 -17.569 -9.673 1.914 395 HG3 PRO 53 2HG PRO 53 -18.843 -8.510 2.351 396 HD2 PRO 53 1HD PRO 53 -18.755 -9.684 -0.095 397 HD3 PRO 53 2HD PRO 53 -19.336 -8.018 0.120 398 H PHE 54 H PHE 54 -13.853 -6.899 0.769 399 HA PHE 54 HA PHE 54 -12.694 -9.593 1.035 400 HB2 PHE 54 1HB PHE 54 -11.009 -9.291 -0.639 401 HB3 PHE 54 2HB PHE 54 -12.509 -8.810 -1.416 402 HD1 PHE 54 HD1 PHE 54 -13.033 -6.178 -1.321 403 HD2 PHE 54 HD2 PHE 54 -9.132 -7.886 -0.872 404 HE1 PHE 54 HE1 PHE 54 -12.008 -4.027 -1.936 405 HE2 PHE 54 HE2 PHE 54 -8.122 -5.733 -1.487 406 HZ PHE 54 HZ PHE 54 -9.556 -3.802 -2.013 407 H SER 55 H SER 55 -10.790 -9.644 2.287 408 HA SER 55 HA SER 55 -9.514 -7.133 3.130 409 HB2 SER 55 1HB SER 55 -10.557 -9.211 5.104 410 HB3 SER 55 2HB SER 55 -9.534 -7.840 5.528 411 HG SER 55 HG SER 55 -11.575 -6.849 4.203 412 H ASP 56 H ASP 56 -7.385 -7.370 2.807 413 HA ASP 56 HA ASP 56 -5.941 -9.750 3.697 414 HB2 ASP 56 1HB ASP 56 -6.428 -10.207 1.276 415 HB3 ASP 56 2HB ASP 56 -5.675 -8.678 0.838 416 H SER 57 H SER 57 -3.640 -9.299 4.012 417 HA SER 57 HA SER 57 -2.736 -6.526 3.848 418 HB2 SER 57 1HB SER 57 -2.124 -6.556 6.351 419 HB3 SER 57 2HB SER 57 -3.841 -6.397 5.976 420 HG SER 57 HG SER 57 -4.203 -8.442 6.604 421 H PHE 58 H PHE 58 -0.564 -6.357 3.645 422 HA PHE 58 HA PHE 58 1.197 -8.657 4.174 423 HB2 PHE 58 1HB PHE 58 2.292 -8.394 1.971 424 HB3 PHE 58 2HB PHE 58 0.604 -8.839 1.801 425 HD1 PHE 58 HD2 PHE 58 -1.084 -7.072 1.072 426 HD2 PHE 58 HD1 PHE 58 3.139 -6.356 0.988 427 HE1 PHE 58 HE2 PHE 58 -1.424 -5.195 -0.478 428 HE2 PHE 58 HE1 PHE 58 2.783 -4.484 -0.558 429 HZ PHE 58 HZ PHE 58 0.509 -3.898 -1.297 430 H GLU 59 H GLU 59 3.276 -8.074 4.779 431 HA GLU 59 HA GLU 59 3.757 -5.185 5.277 432 HB2 GLU 59 1HB GLU 59 4.689 -7.576 6.942 433 HB3 GLU 59 2HB GLU 59 5.168 -5.906 7.226 434 HG2 GLU 59 1HG GLU 59 3.487 -6.367 8.815 435 HG3 GLU 59 2HG GLU 59 2.720 -5.366 7.595 436 H LEU 60 H LEU 60 5.569 -4.337 4.408 437 HA LEU 60 HA LEU 60 7.658 -6.134 3.299 438 HB2 LEU 60 1HB LEU 60 6.622 -3.532 2.111 439 HB3 LEU 60 2HB LEU 60 7.944 -4.487 1.460 440 HG LEU 60 HG LEU 60 5.021 -5.358 1.585 441 HD11 LEU 60 1HD1 LEU 60 5.416 -3.616 -0.108 442 HD12 LEU 60 2HD1 LEU 60 5.045 -5.166 -0.857 443 HD13 LEU 60 3HD1 LEU 60 6.712 -4.588 -0.814 444 HD21 LEU 60 3HD2 LEU 60 5.716 -7.315 0.264 445 HD22 LEU 60 1HD2 LEU 60 6.525 -7.295 1.832 446 HD23 LEU 60 2HD2 LEU 60 7.405 -6.812 0.379 447 HA PRO 61 HA PRO 61 10.340 -3.561 5.965 448 HB2 PRO 61 1HB PRO 61 12.759 -4.493 5.002 449 HB3 PRO 61 2HB PRO 61 11.775 -5.366 6.181 450 HG2 PRO 61 1HG PRO 61 11.905 -5.746 3.191 451 HG3 PRO 61 2HG PRO 61 11.951 -6.970 4.480 452 HD2 PRO 61 1HD PRO 61 9.675 -6.473 3.135 453 HD3 PRO 61 2HD PRO 61 9.637 -6.822 4.881 454 H ARG 62 H ARG 62 11.949 -1.876 5.649 455 HA ARG 62 HA ARG 62 11.387 0.043 3.814 456 HB2 ARG 62 1HB ARG 62 13.305 1.239 4.540 457 HB3 ARG 62 2HB ARG 62 12.829 0.247 5.907 458 HG2 ARG 62 1HG ARG 62 15.114 -0.402 4.009 459 HG3 ARG 62 2HG ARG 62 15.293 0.379 5.574 460 HD2 ARG 62 1HD ARG 62 14.682 -1.602 6.750 461 HD3 ARG 62 2HD ARG 62 14.034 -2.363 5.292 462 HE ARG 62 HE ARG 62 16.782 -1.783 4.939 463 HH11 ARG 62 1HH1 ARG 62 14.817 -4.007 6.813 464 HH12 ARG 62 2HH1 ARG 62 15.939 -5.317 6.643 465 HH21 ARG 62 1HH2 ARG 62 18.260 -3.508 4.775 466 HH22 ARG 62 2HH2 ARG 62 17.890 -5.029 5.526 467 H ASP 63 H ASP 63 13.587 -2.615 3.310 468 HA ASP 63 HA ASP 63 14.960 -1.654 1.025 469 HB2 ASP 63 1HB ASP 63 15.820 -3.401 2.603 470 HB3 ASP 63 2HB ASP 63 14.594 -4.518 2.010 471 H THR 64 H THR 64 11.892 -3.297 1.420 472 HA THR 64 HA THR 64 11.663 -3.784 -1.493 473 HB THR 64 HB THR 64 10.431 -5.900 -1.010 474 HG1 THR 64 HG1 THR 64 10.385 -6.711 1.089 475 HG21 THR 64 3HG2 THR 64 12.317 -7.319 -0.302 476 HG22 THR 64 1HG2 THR 64 13.181 -5.899 0.293 477 HG23 THR 64 2HG2 THR 64 12.870 -6.083 -1.435 478 H ALA 65 H ALA 65 10.640 -1.814 0.755 479 HA ALA 65 HA ALA 65 7.880 -2.105 1.121 480 HB1 ALA 65 3HB ALA 65 9.269 -0.578 2.459 481 HB2 ALA 65 1HB ALA 65 7.873 0.261 1.782 482 HB3 ALA 65 2HB ALA 65 9.471 0.484 1.064 483 H PHE 66 H PHE 66 9.662 -0.410 -1.378 484 HA PHE 66 HA PHE 66 7.492 0.817 -2.707 485 HB2 PHE 66 1HB PHE 66 10.213 0.160 -3.919 486 HB3 PHE 66 2HB PHE 66 9.108 1.442 -4.412 487 HD1 PHE 66 HD2 PHE 66 8.629 3.351 -2.750 488 HD2 PHE 66 HD1 PHE 66 11.832 0.563 -2.208 489 HE1 PHE 66 HE2 PHE 66 9.704 4.882 -1.155 490 HE2 PHE 66 HE1 PHE 66 12.888 2.099 -0.608 491 HZ PHE 66 HZ PHE 66 11.829 4.254 -0.082 492 H ASN 67 H ASN 67 8.337 -2.453 -2.698 493 HA ASN 67 HA ASN 67 7.486 -3.132 -5.385 494 HB2 ASN 67 1HB ASN 67 7.988 -4.897 -2.959 495 HB3 ASN 67 2HB ASN 67 7.726 -5.488 -4.601 496 HD21 ASN 67 2HD2 ASN 67 10.020 -5.908 -2.896 497 HD22 ASN 67 1HD2 ASN 67 11.393 -5.259 -3.723 498 H PHE 68 H PHE 68 5.779 -2.038 -2.833 499 HA PHE 68 HA PHE 68 3.559 -3.747 -2.533 500 HB2 PHE 68 1HB PHE 68 2.540 -1.956 -1.312 501 HB3 PHE 68 2HB PHE 68 4.265 -1.810 -1.000 502 HD1 PHE 68 HD1 PHE 68 5.579 -0.134 -2.552 503 HD2 PHE 68 HD2 PHE 68 1.341 -0.028 -2.043 504 HE1 PHE 68 HE1 PHE 68 5.545 2.167 -3.375 505 HE2 PHE 68 HE2 PHE 68 1.316 2.286 -2.871 506 HZ PHE 68 HZ PHE 68 3.418 3.383 -3.544 507 H ALA 69 H ALA 69 4.336 -1.928 -5.369 508 HA ALA 69 HA ALA 69 1.781 -0.539 -5.627 509 HB1 ALA 69 3HB ALA 69 2.778 0.423 -7.650 510 HB2 ALA 69 1HB ALA 69 4.164 -0.663 -7.511 511 HB3 ALA 69 2HB ALA 69 3.885 0.576 -6.288 512 H SER 70 H SER 70 3.681 -2.937 -7.364 513 HA SER 70 HA SER 70 1.596 -3.792 -9.138 514 HB2 SER 70 1HB SER 70 3.260 -5.634 -9.685 515 HB3 SER 70 2HB SER 70 3.896 -4.001 -9.877 516 HG SER 70 HG SER 70 4.491 -5.939 -7.938 517 H ASP 71 H ASP 71 2.767 -4.726 -5.965 518 HA ASP 71 HA ASP 71 1.634 -7.331 -5.855 519 HB2 ASP 71 1HB ASP 71 3.565 -6.476 -4.440 520 HB3 ASP 71 2HB ASP 71 2.396 -5.573 -3.484 521 H ALA 72 H ALA 72 0.670 -4.360 -4.093 522 HA ALA 72 HA ALA 72 -1.740 -5.128 -3.038 523 HB1 ALA 72 3HB ALA 72 -0.621 -3.008 -2.472 524 HB2 ALA 72 1HB ALA 72 -2.322 -2.749 -2.867 525 HB3 ALA 72 2HB ALA 72 -1.067 -2.342 -4.043 526 H THR 73 H THR 73 -1.275 -3.555 -6.240 527 HA THR 73 HA THR 73 -3.921 -3.542 -7.108 528 HB THR 73 HB THR 73 -1.349 -3.834 -8.724 529 HG1 THR 73 HG1 THR 73 -1.197 -1.866 -7.921 530 HG21 THR 73 3HG2 THR 73 -4.128 -3.027 -9.689 531 HG22 THR 73 1HG2 THR 73 -3.265 -4.502 -10.126 532 HG23 THR 73 2HG2 THR 73 -2.643 -2.936 -10.642 533 H ARG 74 H ARG 74 -1.410 -6.027 -7.621 534 HA ARG 74 HA ARG 74 -2.907 -7.994 -8.876 535 HB2 ARG 74 1HB ARG 74 -0.483 -8.099 -8.739 536 HB3 ARG 74 2HB ARG 74 -0.550 -8.337 -6.995 537 HG2 ARG 74 1HG ARG 74 -1.531 -10.541 -7.274 538 HG3 ARG 74 2HG ARG 74 -1.687 -10.302 -9.018 539 HD2 ARG 74 1HD ARG 74 0.248 -11.735 -8.436 540 HD3 ARG 74 2HD ARG 74 0.743 -10.259 -9.267 541 HE ARG 74 HE ARG 74 0.894 -10.568 -6.327 542 HH11 ARG 74 1HH1 ARG 74 2.413 -9.604 -9.319 543 HH12 ARG 74 2HH1 ARG 74 3.873 -9.081 -8.546 544 HH21 ARG 74 1HH2 ARG 74 2.797 -9.838 -5.321 545 HH22 ARG 74 2HH2 ARG 74 4.095 -9.224 -6.294 546 H VAL 75 H VAL 75 -2.679 -7.345 -5.391 547 HA VAL 75 HA VAL 75 -3.941 -9.672 -4.398 548 HB VAL 75 HB VAL 75 -3.867 -6.846 -3.224 549 HG11 VAL 75 1HG1 VAL 75 -4.541 -7.840 -1.048 550 HG12 VAL 75 2HG1 VAL 75 -4.794 -9.398 -1.839 551 HG13 VAL 75 3HG1 VAL 75 -5.806 -8.015 -2.264 552 HG21 VAL 75 3HG2 VAL 75 -1.649 -7.919 -3.384 553 HG22 VAL 75 1HG2 VAL 75 -2.248 -9.313 -2.481 554 HG23 VAL 75 2HG2 VAL 75 -2.141 -7.731 -1.703 555 H ALA 76 H ALA 76 -5.240 -6.506 -5.445 556 HA ALA 76 HA ALA 76 -7.935 -7.033 -4.636 557 HB1 ALA 76 3HB ALA 76 -6.989 -4.776 -4.656 558 HB2 ALA 76 1HB ALA 76 -8.397 -4.874 -5.712 559 HB3 ALA 76 2HB ALA 76 -6.772 -4.863 -6.402 560 H GLN 77 H GLN 77 -6.163 -7.121 -7.753 561 HA GLN 77 HA GLN 77 -8.514 -7.694 -9.295 562 HB2 GLN 77 1HB GLN 77 -7.109 -7.941 -11.231 563 HB3 GLN 77 2HB GLN 77 -6.616 -6.531 -10.302 564 HG2 GLN 77 1HG GLN 77 -4.752 -7.902 -9.336 565 HG3 GLN 77 2HG GLN 77 -5.190 -9.195 -10.458 566 HE21 GLN 77 2HE2 GLN 77 -4.896 -8.818 -12.724 567 HE22 GLN 77 1HE2 GLN 77 -3.825 -7.591 -13.303 568 H LYS 78 H LYS 78 -6.255 -9.750 -7.593 569 HA LYS 78 HA LYS 78 -7.202 -12.228 -8.643 570 HB2 LYS 78 1HB LYS 78 -5.988 -11.504 -5.954 571 HB3 LYS 78 2HB LYS 78 -6.510 -13.145 -6.325 572 HG2 LYS 78 1HG LYS 78 -4.935 -13.142 -8.289 573 HG3 LYS 78 2HG LYS 78 -4.348 -11.566 -7.759 574 HD2 LYS 78 1HD LYS 78 -2.833 -13.343 -6.997 575 HD3 LYS 78 2HD LYS 78 -3.596 -12.559 -5.612 576 HE2 LYS 78 1HE LYS 78 -3.535 -14.991 -5.290 577 HE3 LYS 78 2HE LYS 78 -5.204 -14.448 -5.445 578 HZ1 LYS 78 3HZ LYS 78 -3.578 -15.698 -7.598 579 HZ2 LYS 78 1HZ LYS 78 -5.179 -15.175 -7.758 580 HZ3 LYS 78 2HZ LYS 78 -4.810 -16.453 -6.716 581 H HIS 79 H HIS 79 -8.669 -9.848 -6.627 582 HA HIS 79 HA HIS 79 -10.826 -11.651 -5.733 583 HB2 HIS 79 1HB HIS 79 -10.039 -8.838 -4.858 584 HB3 HIS 79 2HB HIS 79 -11.530 -9.615 -4.338 585 HD1 HIS 79 HD1 HIS 79 -8.054 -9.223 -3.386 586 HD2 HIS 79 HD2 HIS 79 -10.983 -12.113 -2.837 587 HE1 HIS 79 HE1 HIS 79 -7.271 -10.613 -1.449 588 HE2 HIS 79 HE2 HIS 79 -8.963 -12.475 -1.281 589 H GLY 80 H GLY 80 -10.197 -10.093 -8.488 590 HA2 GLY 80 1HA GLY 80 -12.108 -9.990 -10.044 591 HA3 GLY 80 2HA GLY 80 -12.902 -8.946 -8.872 592 H LEU 81 H LEU 81 -12.284 -6.870 -8.689 593 HA LEU 81 HA LEU 81 -11.778 -4.796 -9.319 594 HB2 LEU 81 1HB LEU 81 -9.683 -5.589 -8.225 595 HB3 LEU 81 2HB LEU 81 -9.050 -6.026 -9.803 596 HG LEU 81 HG LEU 81 -9.120 -3.624 -10.482 597 HD11 LEU 81 1HD1 LEU 81 -9.473 -1.905 -8.730 598 HD12 LEU 81 2HD1 LEU 81 -9.986 -3.179 -7.617 599 HD13 LEU 81 3HD1 LEU 81 -10.926 -2.845 -9.072 600 HD21 LEU 81 3HD2 LEU 81 -7.544 -4.149 -7.938 601 HD22 LEU 81 1HD2 LEU 81 -7.208 -2.885 -9.123 602 HD23 LEU 81 2HD2 LEU 81 -7.039 -4.582 -9.571 603 H HIS 82 H HIS 82 -9.605 -6.422 -11.634 604 HA HIS 82 HA HIS 82 -11.107 -5.511 -13.947 605 HB2 HIS 82 1HB HIS 82 -9.109 -4.282 -14.901 606 HB3 HIS 82 2HB HIS 82 -9.810 -3.498 -13.496 607 HD1 HIS 82 HD1 HIS 82 -7.911 -2.359 -12.395 608 HD2 HIS 82 HD2 HIS 82 -6.860 -6.205 -13.554 609 HE1 HIS 82 HE1 HIS 82 -5.572 -2.699 -11.580 610 HE2 HIS 82 HE2 HIS 82 -4.899 -4.961 -12.441 611 HA PRO 83 HA PRO 83 -8.930 -9.125 -15.658 612 HB2 PRO 83 1HB PRO 83 -9.337 -8.821 -18.307 613 HB3 PRO 83 2HB PRO 83 -10.691 -9.131 -17.210 614 HG2 PRO 83 1HG PRO 83 -9.765 -6.502 -18.377 615 HG3 PRO 83 2HG PRO 83 -11.415 -7.156 -18.264 616 HD2 PRO 83 1HD PRO 83 -10.366 -5.349 -16.460 617 HD3 PRO 83 2HD PRO 83 -11.654 -6.502 -16.048 618 H LYS 84 H LYS 84 -7.375 -9.395 -17.857 619 HA LYS 84 HA LYS 84 -4.890 -8.212 -17.206 620 HB2 LYS 84 1HB LYS 84 -5.165 -10.425 -18.307 621 HB3 LYS 84 2HB LYS 84 -5.749 -9.646 -19.763 622 HG2 LYS 84 1HG LYS 84 -2.981 -8.992 -18.740 623 HG3 LYS 84 2HG LYS 84 -3.257 -10.512 -19.587 624 HD2 LYS 84 1HD LYS 84 -4.071 -9.267 -21.571 625 HD3 LYS 84 2HD LYS 84 -3.821 -7.740 -20.721 626 HE2 LYS 84 1HE LYS 84 -1.646 -9.734 -21.443 627 HE3 LYS 84 2HE LYS 84 -1.976 -8.228 -22.299 628 HZ1 LYS 84 3HZ LYS 84 -1.451 -7.025 -20.244 629 HZ2 LYS 84 1HZ LYS 84 -0.143 -7.951 -20.793 630 HZ3 LYS 84 2HZ LYS 84 -1.065 -8.482 -19.483 631 H PHE 85 H PHE 85 -7.350 -7.403 -19.618 632 HA PHE 85 HA PHE 85 -6.022 -5.395 -21.066 633 HB2 PHE 85 1HB PHE 85 -8.978 -5.743 -20.433 634 HB3 PHE 85 2HB PHE 85 -8.374 -4.519 -21.546 635 HD1 PHE 85 HD2 PHE 85 -6.949 -5.345 -23.563 636 HD2 PHE 85 HD1 PHE 85 -9.477 -7.926 -21.265 637 HE1 PHE 85 HE2 PHE 85 -6.992 -6.959 -25.417 638 HE2 PHE 85 HE1 PHE 85 -9.508 -9.537 -23.126 639 HZ PHE 85 HZ PHE 85 -8.269 -9.058 -25.202 640 H GLY 86 H GLY 86 -7.513 -5.290 -17.881 641 HA2 GLY 86 1HA GLY 86 -7.422 -2.403 -17.577 642 HA3 GLY 86 2HA GLY 86 -7.815 -3.591 -16.341 643 H ALA 87 H ALA 87 -5.021 -2.580 -18.308 644 HA ALA 87 HA ALA 87 -3.143 -3.237 -16.177 645 HB1 ALA 87 3HB ALA 87 -2.575 -3.784 -18.509 646 HB2 ALA 87 1HB ALA 87 -1.420 -2.632 -17.830 647 HB3 ALA 87 2HB ALA 87 -2.668 -2.078 -18.946 648 H ILE 88 H ILE 88 -3.855 -1.736 -14.583 649 HA ILE 88 HA ILE 88 -3.821 1.123 -15.027 650 HB ILE 88 HB ILE 88 -5.307 0.044 -13.315 651 HG12 ILE 88 1HG1 ILE 88 -3.372 2.104 -12.127 652 HG13 ILE 88 2HG1 ILE 88 -4.769 2.482 -13.125 653 HG21 ILE 88 1HG2 ILE 88 -2.753 -0.426 -11.726 654 HG22 ILE 88 2HG2 ILE 88 -3.764 -1.672 -12.460 655 HG23 ILE 88 3HG2 ILE 88 -4.397 -0.693 -11.137 656 HD11 ILE 88 3HD1 ILE 88 -5.232 2.915 -10.801 657 HD12 ILE 88 1HD1 ILE 88 -4.818 1.258 -10.370 658 HD13 ILE 88 2HD1 ILE 88 -6.241 1.584 -11.364 659 H THR 89 H THR 89 -1.541 -1.304 -14.009 660 HA THR 89 HA THR 89 0.470 0.475 -12.959 661 HB THR 89 HB THR 89 1.899 -1.640 -13.001 662 HG1 THR 89 HG1 THR 89 1.065 -2.909 -14.554 663 HG21 THR 89 3HG2 THR 89 0.659 -2.801 -11.210 664 HG22 THR 89 1HG2 THR 89 -0.809 -1.911 -11.627 665 HG23 THR 89 2HG2 THR 89 0.590 -1.056 -10.972 666 H ARG 90 H ARG 90 -0.459 -0.533 -16.114 667 HA ARG 90 HA ARG 90 1.930 -0.112 -17.577 668 HB2 ARG 90 1HB ARG 90 -0.026 -1.185 -18.578 669 HB3 ARG 90 2HB ARG 90 -0.996 0.254 -18.352 670 HG2 ARG 90 1HG ARG 90 1.425 0.432 -20.141 671 HG3 ARG 90 2HG ARG 90 -0.000 -0.410 -20.744 672 HD2 ARG 90 1HD ARG 90 -1.352 1.656 -20.274 673 HD3 ARG 90 2HD ARG 90 0.138 2.483 -19.812 674 HE ARG 90 HE ARG 90 0.570 1.470 -22.356 675 HH11 ARG 90 1HH1 ARG 90 -1.602 3.825 -20.910 676 HH12 ARG 90 2HH1 ARG 90 -1.796 4.723 -22.380 677 HH21 ARG 90 1HH2 ARG 90 0.289 2.657 -24.278 678 HH22 ARG 90 2HH2 ARG 90 -0.733 4.064 -24.283 679 H VAL 91 H VAL 91 -0.641 2.071 -16.510 680 HA VAL 91 HA VAL 91 0.833 4.486 -17.314 681 HB VAL 91 HB VAL 91 -1.917 4.212 -15.985 682 HG11 VAL 91 1HG1 VAL 91 -2.307 6.547 -16.721 683 HG12 VAL 91 2HG1 VAL 91 -0.654 6.628 -17.339 684 HG13 VAL 91 3HG1 VAL 91 -0.940 6.435 -15.608 685 HG21 VAL 91 3HG2 VAL 91 -1.271 4.607 -18.937 686 HG22 VAL 91 1HG2 VAL 91 -2.888 4.631 -18.225 687 HG23 VAL 91 2HG2 VAL 91 -1.935 3.147 -18.200 688 H HIS 92 H HIS 92 1.545 6.020 -15.729 689 HA HIS 92 HA HIS 92 1.981 5.023 -13.022 690 HB2 HIS 92 1HB HIS 92 2.797 7.642 -14.352 691 HB3 HIS 92 2HB HIS 92 3.156 7.236 -12.677 692 HD1 HIS 92 HD1 HIS 92 5.553 6.580 -12.496 693 HD2 HIS 92 HD2 HIS 92 3.865 5.207 -16.038 694 HE1 HIS 92 HE1 HIS 92 7.377 5.329 -13.675 695 HE2 HIS 92 HE2 HIS 92 6.287 4.368 -15.731 696 H LYS 93 H LYS 93 -0.191 4.863 -12.350 697 HA LYS 93 HA LYS 93 -1.855 7.212 -12.038 698 HB2 LYS 93 1HB LYS 93 -2.944 5.058 -12.397 699 HB3 LYS 93 2HB LYS 93 -2.128 4.351 -11.012 700 HG2 LYS 93 1HG LYS 93 -4.515 4.826 -10.562 701 HG3 LYS 93 2HG LYS 93 -3.448 5.710 -9.471 702 HD2 LYS 93 1HD LYS 93 -3.743 7.754 -10.887 703 HD3 LYS 93 2HD LYS 93 -4.860 6.852 -11.915 704 HE2 LYS 93 1HE LYS 93 -6.429 6.600 -10.065 705 HE3 LYS 93 2HE LYS 93 -5.285 7.330 -8.939 706 HZ1 LYS 93 3HZ LYS 93 -6.997 8.885 -9.634 707 HZ2 LYS 93 1HZ LYS 93 -6.529 8.716 -11.251 708 HZ3 LYS 93 2HZ LYS 93 -5.469 9.405 -10.133 709 H GLU 94 H GLU 94 0.029 8.338 -11.070 710 HA GLU 94 HA GLU 94 0.928 9.510 -9.388 711 HB2 GLU 94 1HB GLU 94 -1.608 8.608 -7.967 712 HB3 GLU 94 2HB GLU 94 -0.585 9.956 -7.457 713 HG2 GLU 94 1HG GLU 94 -1.072 11.196 -9.483 714 HG3 GLU 94 2HG GLU 94 -1.893 9.810 -10.196 715 H TYR 95 H TYR 95 1.618 6.645 -9.578 716 HA TYR 95 HA TYR 95 2.209 5.541 -7.060 717 HB2 TYR 95 1HB TYR 95 2.303 4.103 -8.988 718 HB3 TYR 95 2HB TYR 95 3.441 5.162 -9.818 719 HD1 TYR 95 HD2 TYR 95 3.497 3.639 -6.347 720 HD2 TYR 95 HD1 TYR 95 5.462 3.962 -10.136 721 HE1 TYR 95 HE2 TYR 95 5.382 2.317 -5.494 722 HE2 TYR 95 HE1 TYR 95 7.341 2.641 -9.267 723 HH TYR 95 HH TYR 95 7.165 0.875 -6.383 724 H ASP 96 H ASP 96 4.014 7.710 -9.197 725 HA ASP 96 HA ASP 96 6.468 7.817 -7.894 726 HB2 ASP 96 1HB ASP 96 5.052 10.064 -9.397 727 HB3 ASP 96 2HB ASP 96 6.783 9.989 -9.061 728 H ALA 97 H ALA 97 3.464 9.484 -7.124 729 HA ALA 97 HA ALA 97 4.490 11.363 -5.237 730 HB1 ALA 97 3HB ALA 97 2.141 11.702 -4.600 731 HB2 ALA 97 1HB ALA 97 1.672 10.261 -5.509 732 HB3 ALA 97 2HB ALA 97 2.317 11.671 -6.356 733 H MET 98 H MET 98 2.834 8.205 -4.843 734 HA MET 98 HA MET 98 3.116 8.009 -2.048 735 HB2 MET 98 1HB MET 98 1.596 6.627 -3.556 736 HB3 MET 98 2HB MET 98 3.004 5.664 -3.985 737 HG2 MET 98 1HG MET 98 1.764 4.506 -2.274 738 HG3 MET 98 2HG MET 98 3.271 5.085 -1.561 739 HE1 MET 98 3HE MET 98 -0.605 5.614 -1.873 740 HE2 MET 98 1HE MET 98 -0.010 7.197 -2.379 741 HE3 MET 98 2HE MET 98 -0.868 7.023 -0.849 742 H PHE 99 H PHE 99 5.184 6.891 -4.647 743 HA PHE 99 HA PHE 99 7.087 5.357 -3.362 744 HB2 PHE 99 1HB PHE 99 6.839 5.596 -5.842 745 HB3 PHE 99 2HB PHE 99 7.536 7.205 -5.753 746 HD1 PHE 99 HD1 PHE 99 10.001 7.476 -5.254 747 HD2 PHE 99 HD2 PHE 99 8.248 3.604 -5.747 748 HE1 PHE 99 HE1 PHE 99 12.237 6.494 -5.550 749 HE2 PHE 99 HE2 PHE 99 10.489 2.638 -6.048 750 HZ PHE 99 HZ PHE 99 12.484 4.078 -5.949 751 H GLU 100 H GLU 100 7.217 8.858 -4.024 752 HA GLU 100 HA GLU 100 9.729 9.274 -2.736 753 HB2 GLU 100 1HB GLU 100 9.264 11.691 -2.994 754 HB3 GLU 100 2HB GLU 100 9.019 10.795 -4.490 755 HG2 GLU 100 1HG GLU 100 6.613 10.898 -4.243 756 HG3 GLU 100 2HG GLU 100 6.755 11.583 -2.630 757 H ASP 101 H ASP 101 6.399 9.353 -1.613 758 HA ASP 101 HA ASP 101 6.902 10.771 0.829 759 HB2 ASP 101 1HB ASP 101 4.636 10.692 -0.159 760 HB3 ASP 101 2HB ASP 101 4.574 8.948 0.088 761 H ILE 102 H ILE 102 6.468 7.315 0.057 762 HA ILE 102 HA ILE 102 6.954 6.242 2.589 763 HB ILE 102 HB ILE 102 7.460 5.004 -0.157 764 HG12 ILE 102 1HG1 ILE 102 5.136 4.693 1.808 765 HG13 ILE 102 2HG1 ILE 102 5.086 5.561 0.280 766 HG21 ILE 102 1HG2 ILE 102 8.838 3.800 1.481 767 HG22 ILE 102 2HG2 ILE 102 7.499 2.780 0.964 768 HG23 ILE 102 3HG2 ILE 102 7.443 3.578 2.540 769 HD11 ILE 102 3HD1 ILE 102 3.975 3.430 0.090 770 HD12 ILE 102 1HD1 ILE 102 5.420 2.579 0.634 771 HD13 ILE 102 2HD1 ILE 102 5.422 3.427 -0.915 772 H ARG 103 H ARG 103 9.252 6.963 -0.054 773 HA ARG 103 HA ARG 103 11.574 6.026 1.315 774 HB2 ARG 103 1HB ARG 103 12.911 6.834 -0.429 775 HB3 ARG 103 2HB ARG 103 11.387 6.430 -1.190 776 HG2 ARG 103 1HG ARG 103 11.909 8.411 -2.242 777 HG3 ARG 103 2HG ARG 103 10.875 8.992 -0.938 778 HD2 ARG 103 1HD ARG 103 12.835 10.414 -1.167 779 HD3 ARG 103 2HD ARG 103 12.887 9.590 0.379 780 HE ARG 103 HE ARG 103 14.495 8.828 -1.992 781 HH11 ARG 103 1HH1 ARG 103 14.154 8.964 1.503 782 HH12 ARG 103 2HH1 ARG 103 15.785 8.462 1.798 783 HH21 ARG 103 1HH2 ARG 103 16.622 8.154 -1.578 784 HH22 ARG 103 2HH2 ARG 103 17.170 7.980 0.060 785 H ALA 104 H ALA 104 9.821 9.016 1.487 786 HA ALA 104 HA ALA 104 11.841 10.591 2.794 787 HB1 ALA 104 3HB ALA 104 8.839 11.014 2.615 788 HB2 ALA 104 1HB ALA 104 10.042 11.635 1.482 789 HB3 ALA 104 2HB ALA 104 10.023 12.211 3.148 790 H LYS 105 H LYS 105 8.880 8.863 3.911 791 HA LYS 105 HA LYS 105 9.275 9.356 6.653 792 HB2 LYS 105 1HB LYS 105 7.107 8.708 5.537 793 HB3 LYS 105 2HB LYS 105 7.715 7.065 5.416 794 HG2 LYS 105 1HG LYS 105 6.288 7.056 7.291 795 HG3 LYS 105 2HG LYS 105 7.909 7.083 7.974 796 HD2 LYS 105 1HD LYS 105 6.308 9.649 7.627 797 HD3 LYS 105 2HD LYS 105 6.064 8.612 9.030 798 HE2 LYS 105 1HE LYS 105 8.679 9.956 8.249 799 HE3 LYS 105 2HE LYS 105 7.603 10.454 9.553 800 HZ1 LYS 105 3HZ LYS 105 9.114 7.913 9.379 801 HZ2 LYS 105 1HZ LYS 105 8.000 8.283 10.597 802 HZ3 LYS 105 2HZ LYS 105 9.406 9.200 10.432 803 H LEU 106 H LEU 106 10.411 6.782 4.567 804 HA LEU 106 HA LEU 106 11.601 5.123 6.561 805 HB2 LEU 106 1HB LEU 106 11.787 5.367 3.570 806 HB3 LEU 106 2HB LEU 106 13.073 4.493 4.377 807 HG LEU 106 HG LEU 106 11.618 2.741 5.093 808 HD11 LEU 106 1HD1 LEU 106 9.739 4.025 5.962 809 HD12 LEU 106 2HD1 LEU 106 9.161 2.772 4.869 810 HD13 LEU 106 3HD1 LEU 106 9.232 4.449 4.326 811 HD21 LEU 106 3HD2 LEU 106 10.710 3.551 2.305 812 HD22 LEU 106 1HD2 LEU 106 10.591 1.932 3.005 813 HD23 LEU 106 2HD2 LEU 106 12.173 2.643 2.695 814 H HIS 107 H HIS 107 12.710 7.939 4.732 815 HA HIS 107 HA HIS 107 15.338 8.104 5.865 816 HB2 HIS 107 1HB HIS 107 14.703 9.249 3.749 817 HB3 HIS 107 2HB HIS 107 13.569 10.269 4.621 818 HD1 HIS 107 HD1 HIS 107 17.251 9.790 4.002 819 HD2 HIS 107 HD2 HIS 107 14.724 12.474 5.921 820 HE1 HIS 107 HE1 HIS 107 18.681 11.783 4.569 821 HE2 HIS 107 HE2 HIS 107 17.085 13.448 5.563 822 H ALA 108 H ALA 108 12.193 8.756 7.021 823 HA ALA 108 HA ALA 108 11.353 9.120 9.061 824 HB1 ALA 108 3HB ALA 108 14.158 9.705 10.062 825 HB2 ALA 108 1HB ALA 108 13.368 8.126 10.075 826 HB3 ALA 108 2HB ALA 108 12.725 9.442 11.058 827 H HIS 109 H HIS 109 12.788 11.367 7.136 828 HA HIS 109 HA HIS 109 11.381 13.616 8.408 829 HB2 HIS 109 1HB HIS 109 14.280 13.726 7.416 830 HB3 HIS 109 2HB HIS 109 13.321 15.145 7.836 831 HD1 HIS 109 HD1 HIS 109 12.760 15.488 10.393 832 HD2 HIS 109 HD2 HIS 109 15.390 12.372 9.602 833 HE1 HIS 109 HE1 HIS 109 13.807 14.913 12.597 834 HE2 HIS 109 HE2 HIS 109 15.463 13.091 12.078 835 HA PRO 110 HA PRO 110 9.563 14.103 4.366 836 HB2 PRO 110 1HB PRO 110 10.033 17.068 4.764 837 HB3 PRO 110 2HB PRO 110 8.557 16.219 4.267 838 HG2 PRO 110 1HG PRO 110 8.792 17.088 6.775 839 HG3 PRO 110 2HG PRO 110 8.093 15.481 6.462 840 HD2 PRO 110 1HD PRO 110 10.863 16.193 7.427 841 HD3 PRO 110 2HD PRO 110 9.806 14.855 7.928 842 H GLY 111 H GLY 111 10.379 13.882 2.406 843 HA2 GLY 111 1HA GLY 111 12.810 15.273 1.502 844 HA3 GLY 111 2HA GLY 111 12.837 13.512 1.594 845 H GLU 112 H GLU 112 11.225 16.265 0.137 846 HA GLU 112 HA GLU 112 9.868 14.786 -1.948 847 HB2 GLU 112 1HB GLU 112 9.239 17.003 -2.795 848 HB3 GLU 112 2HB GLU 112 9.018 16.966 -1.048 849 HG2 GLU 112 1HG GLU 112 11.096 18.222 -0.723 850 HG3 GLU 112 2HG GLU 112 11.423 18.182 -2.453 851 HA PRO 113 HA PRO 113 13.278 15.041 -5.022 852 HB2 PRO 113 1HB PRO 113 12.081 15.515 -7.402 853 HB3 PRO 113 2HB PRO 113 11.806 14.000 -6.526 854 HG2 PRO 113 1HG PRO 113 10.086 16.490 -6.564 855 HG3 PRO 113 2HG PRO 113 9.603 14.798 -6.829 856 HD2 PRO 113 1HD PRO 113 9.311 16.003 -4.411 857 HD3 PRO 113 2HD PRO 113 9.692 14.274 -4.554 858 H VAL 114 H VAL 114 13.105 17.363 -3.488 859 HA VAL 114 HA VAL 114 13.195 19.725 -5.074 860 HB VAL 114 HB VAL 114 12.711 19.856 -2.656 861 HG11 VAL 114 1HG1 VAL 114 14.464 19.574 -0.932 862 HG12 VAL 114 2HG1 VAL 114 15.588 19.004 -2.167 863 HG13 VAL 114 3HG1 VAL 114 14.144 18.064 -1.793 864 HG21 VAL 114 3HG2 VAL 114 14.153 21.789 -2.089 865 HG22 VAL 114 1HG2 VAL 114 13.590 21.859 -3.762 866 HG23 VAL 114 2HG2 VAL 114 15.245 21.360 -3.408 867 H ASP 115 H ASP 115 14.883 20.557 -6.173 868 HA ASP 115 HA ASP 115 17.346 18.929 -6.373 869 HB2 ASP 115 1HB ASP 115 17.528 19.693 -8.654 870 HB3 ASP 115 2HB ASP 115 15.880 19.135 -8.408 871 H LEU 116 H LEU 116 16.957 20.959 -4.285 872 HA LEU 116 HA LEU 116 18.033 23.469 -4.858 873 HB2 LEU 116 1HB LEU 116 18.409 23.714 -2.423 874 HB3 LEU 116 2HB LEU 116 16.820 23.095 -2.814 875 HG LEU 116 HG LEU 116 17.865 20.731 -2.243 876 HD11 LEU 116 1HD1 LEU 116 20.209 21.406 -2.021 877 HD12 LEU 116 2HD1 LEU 116 19.601 20.751 -0.504 878 HD13 LEU 116 3HD1 LEU 116 19.790 22.496 -0.697 879 HD21 LEU 116 3HD2 LEU 116 16.068 21.777 -0.951 880 HD22 LEU 116 1HD2 LEU 116 17.248 22.720 -0.036 881 HD23 LEU 116 2HD2 LEU 116 17.210 20.958 0.109 882 H GLU 117 H GLU 117 19.680 20.450 -4.282 883 HA GLU 117 HA GLU 117 22.309 21.590 -3.927 884 HB2 GLU 117 1HB GLU 117 21.561 19.432 -2.863 885 HB3 GLU 117 2HB GLU 117 21.494 18.700 -4.462 886 HG2 GLU 117 1HG GLU 117 23.915 19.003 -4.735 887 HG3 GLU 117 2HG GLU 117 24.012 19.813 -3.173 888 H ARG 118 H ARG 118 20.359 20.439 -6.593 889 HA ARG 118 HA ARG 118 22.423 19.550 -8.330 890 HB2 ARG 118 1HB ARG 118 19.960 18.856 -8.298 891 HB3 ARG 118 2HB ARG 118 19.595 20.346 -9.144 892 HG2 ARG 118 1HG ARG 118 21.617 18.468 -10.363 893 HG3 ARG 118 2HG ARG 118 19.917 18.018 -10.429 894 HD2 ARG 118 1HD ARG 118 21.040 20.627 -11.497 895 HD3 ARG 118 2HD ARG 118 20.725 19.193 -12.478 896 HE ARG 118 HE ARG 118 18.394 20.006 -11.031 897 HH11 ARG 118 1HH1 ARG 118 20.303 20.894 -13.846 898 HH12 ARG 118 2HH1 ARG 118 18.944 21.537 -14.715 899 HH21 ARG 118 1HH2 ARG 118 16.626 20.863 -12.191 900 HH22 ARG 118 2HH2 ARG 118 16.872 21.523 -13.777 901 H ILE 119 H ILE 119 21.235 22.717 -7.659 902 HA ILE 119 HA ILE 119 21.961 24.025 -10.081 903 HB ILE 119 HB ILE 119 21.649 25.136 -7.251 904 HG12 ILE 119 1HG1 ILE 119 19.568 26.261 -8.438 905 HG13 ILE 119 2HG1 ILE 119 19.791 25.022 -9.661 906 HG21 ILE 119 1HG2 ILE 119 23.195 26.595 -8.461 907 HG22 ILE 119 2HG2 ILE 119 21.647 27.409 -8.252 908 HG23 ILE 119 3HG2 ILE 119 22.072 26.716 -9.820 909 HD11 ILE 119 3HD1 ILE 119 19.218 24.557 -6.750 910 HD12 ILE 119 1HD1 ILE 119 19.426 23.307 -7.978 911 HD13 ILE 119 2HD1 ILE 119 18.069 24.430 -8.083 912 H ILE 120 H ILE 120 23.636 23.696 -6.915 913 HA ILE 120 HA ILE 120 26.249 23.825 -8.290 914 HB ILE 120 HB ILE 120 25.556 25.324 -5.718 915 HG12 ILE 120 1HG1 ILE 120 24.882 26.493 -7.845 916 HG13 ILE 120 2HG1 ILE 120 26.089 27.385 -6.925 917 HG21 ILE 120 1HG2 ILE 120 28.276 24.966 -7.031 918 HG22 ILE 120 2HG2 ILE 120 27.774 24.349 -5.458 919 HG23 ILE 120 3HG2 ILE 120 27.939 26.086 -5.707 920 HD11 ILE 120 3HD1 ILE 120 26.542 27.483 -9.312 921 HD12 ILE 120 1HD1 ILE 120 26.616 25.723 -9.399 922 HD13 ILE 120 2HD1 ILE 120 27.834 26.616 -8.484 923 H ARG 121 H ARG 121 26.494 21.611 -8.115 924 HA ARG 121 HA ARG 121 26.890 20.457 -5.420 925 HB2 ARG 121 1HB ARG 121 27.161 19.012 -8.091 926 HB3 ARG 121 2HB ARG 121 27.027 18.291 -6.491 927 HG2 ARG 121 1HG ARG 121 24.671 19.270 -6.394 928 HG3 ARG 121 2HG ARG 121 24.855 19.656 -8.106 929 HD2 ARG 121 1HD ARG 121 23.681 17.549 -7.909 930 HD3 ARG 121 2HD ARG 121 25.297 17.220 -8.549 931 HE ARG 121 HE ARG 121 24.906 17.008 -5.657 932 HH11 ARG 121 1HH1 ARG 121 25.337 15.270 -8.683 933 HH12 ARG 121 2HH1 ARG 121 25.635 13.756 -7.894 934 HH21 ARG 121 1HH2 ARG 121 25.300 15.058 -4.652 935 HH22 ARG 121 2HH2 ARG 121 25.607 13.629 -5.591 936 H HIS 122 H HIS 122 28.433 21.023 -8.522 937 HA HIS 122 HA HIS 122 31.024 21.628 -7.449 938 HB2 HIS 122 1HB HIS 122 31.050 19.092 -7.547 939 HB3 HIS 122 2HB HIS 122 30.760 19.182 -9.279 940 HD1 HIS 122 HD1 HIS 122 32.858 18.885 -10.571 941 HD2 HIS 122 HD2 HIS 122 33.581 20.680 -6.893 942 HE1 HIS 122 HE1 HIS 122 35.340 19.161 -10.427 943 HE2 HIS 122 HE2 HIS 122 35.740 20.388 -8.274 944 H GLU 123 H GLU 123 32.272 22.742 -9.015 945 HA GLU 123 HA GLU 123 32.701 24.113 -10.739 946 HB2 GLU 123 1HB GLU 123 30.606 22.556 -12.321 947 HB3 GLU 123 2HB GLU 123 31.713 23.741 -13.004 948 HG2 GLU 123 1HG GLU 123 32.511 21.102 -11.723 949 HG3 GLU 123 2HG GLU 123 32.431 21.421 -13.455 950 H GLY 124 H GLY 124 31.948 26.100 -11.622 951 HA2 GLY 124 1HA GLY 124 30.355 27.818 -11.988 952 HA3 GLY 124 2HA GLY 124 29.202 26.976 -10.960 953 H SER 125 H SER 125 30.381 26.557 -8.639 954 HA SER 125 HA SER 125 31.971 28.762 -7.685 955 HB2 SER 125 1HB SER 125 30.246 29.483 -5.948 956 HB3 SER 125 2HB SER 125 29.863 29.944 -7.605 957 HG SER 125 HG SER 125 28.872 27.508 -6.651 Start of MODEL 7 1 H1 GLN 1 1H GLN 1 -13.482 9.952 -7.933 2 H2 GLN 1 2H GLN 1 -12.692 9.342 -6.578 3 H3 GLN 1 3H GLN 1 -14.367 9.561 -6.543 4 HA GLN 1 HA GLN 1 -13.838 7.253 -6.792 5 HB2 GLN 1 1HB GLN 1 -14.907 8.380 -9.412 6 HB3 GLN 1 2HB GLN 1 -15.208 6.768 -8.765 7 HG2 GLN 1 1HG GLN 1 -16.143 9.360 -7.490 8 HG3 GLN 1 2HG GLN 1 -17.130 8.320 -8.512 9 HE21 GLN 1 2HE2 GLN 1 -18.633 8.123 -6.824 10 HE22 GLN 1 1HE2 GLN 1 -18.349 7.117 -5.455 11 H GLY 2 H GLY 2 -12.949 5.541 -8.176 12 HA2 GLY 2 1HA GLY 2 -11.283 4.724 -9.664 13 HA3 GLY 2 2HA GLY 2 -10.578 6.336 -9.762 14 H HIS 3 H HIS 3 -10.094 7.175 -7.398 15 HA HIS 3 HA HIS 3 -9.129 5.423 -5.437 16 HB2 HIS 3 1HB HIS 3 -6.669 5.653 -5.711 17 HB3 HIS 3 2HB HIS 3 -7.385 4.780 -7.050 18 HD1 HIS 3 HD1 HIS 3 -7.694 6.264 -9.323 19 HD2 HIS 3 HD2 HIS 3 -5.065 7.744 -6.469 20 HE1 HIS 3 HE1 HIS 3 -6.272 7.951 -10.519 21 HE2 HIS 3 HE2 HIS 3 -4.855 8.978 -8.723 22 H MET 4 H MET 4 -9.965 6.791 -3.959 23 HA MET 4 HA MET 4 -9.211 9.602 -3.808 24 HB2 MET 4 1HB MET 4 -10.936 7.848 -1.998 25 HB3 MET 4 2HB MET 4 -10.587 9.542 -1.663 26 HG2 MET 4 1HG MET 4 -12.790 9.295 -2.683 27 HG3 MET 4 2HG MET 4 -11.712 10.201 -3.743 28 HE1 MET 4 3HE MET 4 -11.814 6.262 -3.196 29 HE2 MET 4 1HE MET 4 -12.931 5.800 -4.479 30 HE3 MET 4 2HE MET 4 -13.507 6.756 -3.112 31 H PHE 5 H PHE 5 -7.091 9.761 -3.372 32 HA PHE 5 HA PHE 5 -5.830 8.059 -1.323 33 HB2 PHE 5 1HB PHE 5 -4.817 8.028 -3.569 34 HB3 PHE 5 2HB PHE 5 -4.632 9.776 -3.542 35 HD1 PHE 5 HD1 PHE 5 -3.532 6.658 -1.767 36 HD2 PHE 5 HD2 PHE 5 -2.613 10.727 -2.717 37 HE1 PHE 5 HE1 PHE 5 -1.296 6.395 -0.773 38 HE2 PHE 5 HE2 PHE 5 -0.385 10.448 -1.728 39 HZ PHE 5 HZ PHE 5 0.280 8.286 -0.758 40 H GLU 6 H GLU 6 -4.897 8.879 0.428 41 HA GLU 6 HA GLU 6 -4.308 11.719 0.772 42 HB2 GLU 6 1HB GLU 6 -5.349 11.665 3.077 43 HB3 GLU 6 2HB GLU 6 -6.530 11.529 1.779 44 HG2 GLU 6 1HG GLU 6 -6.608 9.065 2.139 45 HG3 GLU 6 2HG GLU 6 -5.475 9.244 3.477 46 HA PRO 7 HA PRO 7 -0.584 10.004 2.672 47 HB2 PRO 7 1HB PRO 7 -0.800 12.111 4.809 48 HB3 PRO 7 2HB PRO 7 0.542 11.759 3.708 49 HG2 PRO 7 1HG PRO 7 -1.005 13.914 3.315 50 HG3 PRO 7 2HG PRO 7 -0.427 12.952 1.935 51 HD2 PRO 7 1HD PRO 7 -3.151 12.936 3.250 52 HD3 PRO 7 2HD PRO 7 -2.735 12.903 1.521 53 H GLY 8 H GLY 8 -1.117 8.050 3.528 54 HA2 GLY 8 1HA GLY 8 -0.903 6.843 5.653 55 HA3 GLY 8 2HA GLY 8 -2.132 7.901 6.325 56 H HIS 9 H HIS 9 -3.526 7.579 3.509 57 HA HIS 9 HA HIS 9 -4.566 4.858 3.713 58 HB2 HIS 9 1HB HIS 9 -5.791 6.082 5.502 59 HB3 HIS 9 2HB HIS 9 -6.355 7.255 4.319 60 HD1 HIS 9 HD1 HIS 9 -8.628 6.770 3.415 61 HD2 HIS 9 HD2 HIS 9 -6.793 3.336 4.846 62 HE1 HIS 9 HE1 HIS 9 -10.328 4.953 3.203 63 HE2 HIS 9 HE2 HIS 9 -9.290 2.975 4.343 64 H LEU 10 H LEU 10 -5.575 4.182 1.875 65 HA LEU 10 HA LEU 10 -6.159 6.040 -0.332 66 HB2 LEU 10 1HB LEU 10 -4.064 4.920 -0.844 67 HB3 LEU 10 2HB LEU 10 -4.715 3.360 -0.373 68 HG LEU 10 HG LEU 10 -6.188 3.355 -2.367 69 HD11 LEU 10 1HD1 LEU 10 -4.871 5.985 -3.109 70 HD12 LEU 10 2HD1 LEU 10 -6.565 5.747 -2.673 71 HD13 LEU 10 3HD1 LEU 10 -5.931 5.031 -4.152 72 HD21 LEU 10 3HD2 LEU 10 -4.448 2.999 -4.054 73 HD22 LEU 10 1HD2 LEU 10 -3.943 2.337 -2.500 74 HD23 LEU 10 2HD2 LEU 10 -3.276 3.873 -3.064 75 H HIS 11 H HIS 11 -8.104 5.603 -1.383 76 HA HIS 11 HA HIS 11 -9.681 3.231 -0.553 77 HB2 HIS 11 1HB HIS 11 -10.468 5.336 0.552 78 HB3 HIS 11 2HB HIS 11 -10.668 6.082 -1.028 79 HD1 HIS 11 HD1 HIS 11 -13.165 6.451 -0.205 80 HD2 HIS 11 HD2 HIS 11 -12.115 2.488 -0.852 81 HE1 HIS 11 HE1 HIS 11 -15.320 5.181 -0.246 82 HE2 HIS 11 HE2 HIS 11 -14.633 2.770 -0.390 83 H LEU 12 H LEU 12 -10.131 1.974 -2.308 84 HA LEU 12 HA LEU 12 -10.046 3.114 -5.024 85 HB2 LEU 12 1HB LEU 12 -10.085 0.203 -4.133 86 HB3 LEU 12 2HB LEU 12 -9.876 0.776 -5.783 87 HG LEU 12 HG LEU 12 -7.903 1.173 -3.490 88 HD11 LEU 12 1HD1 LEU 12 -7.703 -0.590 -5.958 89 HD12 LEU 12 2HD1 LEU 12 -7.935 -1.144 -4.299 90 HD13 LEU 12 3HD1 LEU 12 -6.433 -0.346 -4.757 91 HD21 LEU 12 3HD2 LEU 12 -7.661 2.036 -6.398 92 HD22 LEU 12 1HD2 LEU 12 -6.380 2.130 -5.186 93 HD23 LEU 12 2HD2 LEU 12 -7.835 3.106 -5.003 94 H VAL 13 H VAL 13 -11.899 3.488 -6.024 95 HA VAL 13 HA VAL 13 -14.168 1.593 -5.850 96 HB VAL 13 HB VAL 13 -14.483 4.652 -6.065 97 HG11 VAL 13 1HG1 VAL 13 -16.643 2.509 -6.018 98 HG12 VAL 13 2HG1 VAL 13 -16.178 3.489 -7.410 99 HG13 VAL 13 3HG1 VAL 13 -16.929 4.252 -6.007 100 HG21 VAL 13 3HG2 VAL 13 -15.648 4.562 -3.885 101 HG22 VAL 13 1HG2 VAL 13 -13.975 4.015 -3.746 102 HG23 VAL 13 2HG2 VAL 13 -15.293 2.836 -3.756 103 H SER 14 H SER 14 -15.257 1.465 -8.146 104 HA SER 14 HA SER 14 -13.219 2.055 -10.176 105 HB2 SER 14 1HB SER 14 -14.206 -0.195 -10.201 106 HB3 SER 14 2HB SER 14 -15.827 0.476 -10.310 107 HG SER 14 HG SER 14 -15.144 1.400 -12.361 108 H LEU 15 H LEU 15 -13.336 4.035 -11.102 109 HA LEU 15 HA LEU 15 -15.675 5.691 -11.000 110 HB2 LEU 15 1HB LEU 15 -14.363 7.315 -12.327 111 HB3 LEU 15 2HB LEU 15 -13.488 6.727 -10.933 112 HG LEU 15 HG LEU 15 -12.278 5.125 -12.637 113 HD11 LEU 15 1HD1 LEU 15 -13.661 5.497 -14.603 114 HD12 LEU 15 2HD1 LEU 15 -12.017 6.035 -14.917 115 HD13 LEU 15 3HD1 LEU 15 -13.283 7.220 -14.584 116 HD21 LEU 15 3HD2 LEU 15 -10.549 6.790 -13.083 117 HD22 LEU 15 1HD2 LEU 15 -11.165 6.970 -11.441 118 HD23 LEU 15 2HD2 LEU 15 -11.672 8.098 -12.699 119 HA PRO 16 HA PRO 16 -17.600 4.307 -14.864 120 HB2 PRO 16 1HB PRO 16 -19.101 6.547 -15.428 121 HB3 PRO 16 2HB PRO 16 -19.557 5.359 -14.200 122 HG2 PRO 16 1HG PRO 16 -18.164 8.010 -13.838 123 HG3 PRO 16 2HG PRO 16 -19.509 7.317 -12.904 124 HD2 PRO 16 1HD PRO 16 -16.961 7.210 -12.000 125 HD3 PRO 16 2HD PRO 16 -18.109 5.885 -11.698 126 H GLY 17 H GLY 17 -16.419 4.189 -16.697 127 HA2 GLY 17 1HA GLY 17 -16.209 5.734 -18.788 128 HA3 GLY 17 2HA GLY 17 -15.032 6.575 -17.789 129 H LEU 18 H LEU 18 -13.342 5.095 -16.791 130 HA LEU 18 HA LEU 18 -11.913 3.757 -18.897 131 HB2 LEU 18 1HB LEU 18 -11.333 3.846 -15.906 132 HB3 LEU 18 2HB LEU 18 -10.215 3.277 -17.140 133 HG LEU 18 HG LEU 18 -11.242 6.137 -16.883 134 HD11 LEU 18 1HD1 LEU 18 -9.709 5.588 -15.064 135 HD12 LEU 18 2HD1 LEU 18 -8.944 6.703 -16.192 136 HD13 LEU 18 3HD1 LEU 18 -8.511 4.991 -16.216 137 HD21 LEU 18 3HD2 LEU 18 -9.196 4.980 -18.809 138 HD22 LEU 18 1HD2 LEU 18 -9.587 6.693 -18.632 139 HD23 LEU 18 2HD2 LEU 18 -10.807 5.570 -19.226 140 H ASP 19 H ASP 19 -13.460 2.705 -15.900 141 HA ASP 19 HA ASP 19 -14.141 0.099 -17.064 142 HB2 ASP 19 1HB ASP 19 -12.599 0.522 -14.468 143 HB3 ASP 19 2HB ASP 19 -13.665 -0.870 -14.631 144 H GLN 20 H GLN 20 -15.665 -1.033 -15.344 145 HA GLN 20 HA GLN 20 -16.972 0.590 -13.423 146 HB2 GLN 20 1HB GLN 20 -18.189 1.462 -15.417 147 HB3 GLN 20 2HB GLN 20 -18.679 -0.173 -15.846 148 HG2 GLN 20 1HG GLN 20 -20.505 1.061 -14.740 149 HG3 GLN 20 2HG GLN 20 -20.016 -0.354 -13.808 150 HE21 GLN 20 2HE2 GLN 20 -20.738 0.380 -11.834 151 HE22 GLN 20 1HE2 GLN 20 -20.059 1.730 -10.995 152 H GLN 21 H GLN 21 -16.803 -0.865 -11.898 153 HA GLN 21 HA GLN 21 -18.308 -3.330 -11.909 154 HB2 GLN 21 1HB GLN 21 -16.349 -4.780 -11.325 155 HB3 GLN 21 2HB GLN 21 -16.260 -4.158 -12.971 156 HG2 GLN 21 1HG GLN 21 -14.664 -2.417 -12.221 157 HG3 GLN 21 2HG GLN 21 -14.748 -3.068 -10.584 158 HE21 GLN 21 2HE2 GLN 21 -14.679 -5.856 -11.288 159 HE22 GLN 21 1HE2 GLN 21 -13.096 -6.195 -11.881 160 H ASP 22 H ASP 22 -18.132 -4.359 -9.666 161 HA ASP 22 HA ASP 22 -18.311 -2.194 -7.718 162 HB2 ASP 22 1HB ASP 22 -20.170 -3.887 -8.063 163 HB3 ASP 22 2HB ASP 22 -19.113 -5.120 -7.382 164 H ILE 23 H ILE 23 -15.721 -2.490 -8.279 165 HA ILE 23 HA ILE 23 -14.500 -3.910 -6.009 166 HB ILE 23 HB ILE 23 -12.312 -3.081 -6.816 167 HG12 ILE 23 1HG1 ILE 23 -12.636 -2.245 -9.468 168 HG13 ILE 23 2HG1 ILE 23 -13.957 -1.411 -8.667 169 HG21 ILE 23 1HG2 ILE 23 -13.946 -4.525 -8.918 170 HG22 ILE 23 2HG2 ILE 23 -13.151 -5.261 -7.524 171 HG23 ILE 23 3HG2 ILE 23 -12.186 -4.532 -8.807 172 HD11 ILE 23 3HD1 ILE 23 -11.029 -1.206 -7.961 173 HD12 ILE 23 1HD1 ILE 23 -12.343 -0.360 -7.132 174 HD13 ILE 23 2HD1 ILE 23 -11.999 -0.016 -8.826 175 H ASN 24 H ASN 24 -14.470 -3.024 -4.124 176 HA ASN 24 HA ASN 24 -14.200 -0.121 -3.710 177 HB2 ASN 24 1HB ASN 24 -16.281 -1.715 -2.140 178 HB3 ASN 24 2HB ASN 24 -16.059 0.031 -2.210 179 HD21 ASN 24 2HD2 ASN 24 -17.342 -2.756 -3.859 180 HD22 ASN 24 1HD2 ASN 24 -18.317 -1.886 -4.983 181 H ILE 25 H ILE 25 -12.430 0.029 -2.421 182 HA ILE 25 HA ILE 25 -11.647 -2.238 -0.689 183 HB ILE 25 HB ILE 25 -9.836 -0.959 -2.796 184 HG12 ILE 25 1HG1 ILE 25 -11.039 -3.775 -2.798 185 HG13 ILE 25 2HG1 ILE 25 -11.609 -2.447 -3.799 186 HG21 ILE 25 1HG2 ILE 25 -8.189 -2.711 -2.198 187 HG22 ILE 25 2HG2 ILE 25 -9.269 -3.298 -0.932 188 HG23 ILE 25 3HG2 ILE 25 -8.565 -1.684 -0.812 189 HD11 ILE 25 3HD1 ILE 25 -9.468 -2.414 -4.967 190 HD12 ILE 25 1HD1 ILE 25 -10.253 -3.988 -5.056 191 HD13 ILE 25 2HD1 ILE 25 -8.897 -3.746 -3.958 192 H HIS 26 H HIS 26 -10.751 -1.581 1.170 193 HA HIS 26 HA HIS 26 -10.020 1.247 1.622 194 HB2 HIS 26 1HB HIS 26 -10.327 -0.789 3.859 195 HB3 HIS 26 2HB HIS 26 -10.580 0.951 3.904 196 HD1 HIS 26 HD1 HIS 26 -12.484 -1.710 4.625 197 HD2 HIS 26 HD2 HIS 26 -13.004 1.196 1.709 198 HE1 HIS 26 HE1 HIS 26 -14.932 -1.731 4.089 199 HE2 HIS 26 HE2 HIS 26 -15.195 -0.062 2.224 200 H ILE 27 H ILE 27 -7.820 1.526 1.431 201 HA ILE 27 HA ILE 27 -5.992 -0.668 2.259 202 HB ILE 27 HB ILE 27 -5.383 1.617 0.314 203 HG12 ILE 27 1HG1 ILE 27 -6.004 -1.319 -0.280 204 HG13 ILE 27 2HG1 ILE 27 -7.001 0.064 -0.719 205 HG21 ILE 27 1HG2 ILE 27 -3.375 0.832 1.512 206 HG22 ILE 27 2HG2 ILE 27 -3.294 0.357 -0.183 207 HG23 ILE 27 3HG2 ILE 27 -3.722 -0.836 1.046 208 HD11 ILE 27 3HD1 ILE 27 -5.226 0.820 -2.253 209 HD12 ILE 27 1HD1 ILE 27 -5.817 -0.794 -2.634 210 HD13 ILE 27 2HD1 ILE 27 -4.267 -0.598 -1.821 211 H ARG 28 H ARG 28 -5.388 -0.196 4.307 212 HA ARG 28 HA ARG 28 -4.760 2.588 5.096 213 HB2 ARG 28 1HB ARG 28 -6.375 1.069 6.475 214 HB3 ARG 28 2HB ARG 28 -4.940 0.177 6.954 215 HG2 ARG 28 1HG ARG 28 -3.988 2.308 7.886 216 HG3 ARG 28 2HG ARG 28 -5.512 3.114 7.499 217 HD2 ARG 28 1HD ARG 28 -5.577 2.520 9.828 218 HD3 ARG 28 2HD ARG 28 -6.687 1.436 8.984 219 HE ARG 28 HE ARG 28 -4.022 0.749 10.042 220 HH11 ARG 28 1HH1 ARG 28 -7.110 -0.383 8.827 221 HH12 ARG 28 2HH1 ARG 28 -6.798 -2.037 9.241 222 HH21 ARG 28 1HH2 ARG 28 -3.622 -1.390 10.594 223 HH22 ARG 28 2HH2 ARG 28 -4.824 -2.604 10.275 224 H TYR 29 H TYR 29 -2.607 3.049 4.758 225 HA TYR 29 HA TYR 29 -0.631 0.900 5.247 226 HB2 TYR 29 1HB TYR 29 0.857 1.859 3.618 227 HB3 TYR 29 2HB TYR 29 -0.701 1.621 2.856 228 HD1 TYR 29 HD2 TYR 29 -2.115 3.624 2.257 229 HD2 TYR 29 HD1 TYR 29 1.850 4.064 3.802 230 HE1 TYR 29 HE2 TYR 29 -2.049 5.948 1.449 231 HE2 TYR 29 HE1 TYR 29 1.911 6.378 2.998 232 HH TYR 29 HH TYR 29 0.786 7.748 1.245 233 H GLU 30 H GLU 30 0.668 1.206 6.894 234 HA GLU 30 HA GLU 30 0.723 3.838 8.276 235 HB2 GLU 30 1HB GLU 30 0.812 1.014 9.448 236 HB3 GLU 30 2HB GLU 30 0.880 2.508 10.380 237 HG2 GLU 30 1HG GLU 30 -1.398 3.043 9.891 238 HG3 GLU 30 2HG GLU 30 -1.491 1.821 8.621 239 H VAL 31 H VAL 31 2.688 4.694 8.034 240 HA VAL 31 HA VAL 31 5.089 3.149 7.634 241 HB VAL 31 HB VAL 31 4.706 6.144 8.147 242 HG11 VAL 31 1HG1 VAL 31 7.172 4.645 7.167 243 HG12 VAL 31 2HG1 VAL 31 6.998 5.464 8.719 244 HG13 VAL 31 3HG1 VAL 31 7.006 6.402 7.229 245 HG21 VAL 31 3HG2 VAL 31 5.099 4.636 5.522 246 HG22 VAL 31 1HG2 VAL 31 4.979 6.389 5.699 247 HG23 VAL 31 2HG2 VAL 31 3.590 5.369 6.073 248 H ARG 32 H ARG 32 6.190 2.252 9.230 249 HA ARG 32 HA ARG 32 6.162 3.302 11.987 250 HB2 ARG 32 1HB ARG 32 4.306 1.617 11.763 251 HB3 ARG 32 2HB ARG 32 5.474 0.426 11.200 252 HG2 ARG 32 1HG ARG 32 6.646 0.766 13.490 253 HG3 ARG 32 2HG ARG 32 5.171 1.600 13.980 254 HD2 ARG 32 1HD ARG 32 3.871 -0.444 13.396 255 HD3 ARG 32 2HD ARG 32 5.399 -1.250 13.011 256 HE ARG 32 HE ARG 32 5.749 -0.376 15.572 257 HH11 ARG 32 1HH1 ARG 32 3.302 -2.365 14.041 258 HH12 ARG 32 2HH1 ARG 32 3.030 -3.332 15.453 259 HH21 ARG 32 1HH2 ARG 32 5.382 -1.653 17.430 260 HH22 ARG 32 2HH2 ARG 32 4.207 -2.931 17.374 261 H GLN 33 H GLN 33 7.897 2.352 13.284 262 HA GLN 33 HA GLN 33 10.122 1.228 11.706 263 HB2 GLN 33 1HB GLN 33 10.314 2.669 14.379 264 HB3 GLN 33 2HB GLN 33 11.656 2.155 13.369 265 HG2 GLN 33 1HG GLN 33 9.655 4.334 12.692 266 HG3 GLN 33 2HG GLN 33 11.290 4.587 13.298 267 HE21 GLN 33 2HE2 GLN 33 9.350 3.870 10.533 268 HE22 GLN 33 1HE2 GLN 33 10.616 3.924 9.365 269 H ASN 34 H ASN 34 10.173 -0.913 11.983 270 HA ASN 34 HA ASN 34 9.647 -2.169 14.596 271 HB2 ASN 34 1HB ASN 34 9.670 -4.323 13.466 272 HB3 ASN 34 2HB ASN 34 8.606 -3.246 12.589 273 HD21 ASN 34 2HD2 ASN 34 11.033 -1.986 11.178 274 HD22 ASN 34 1HD2 ASN 34 11.448 -3.149 9.995 275 H ALA 35 H ALA 35 11.250 -3.430 15.655 276 HA ALA 35 HA ALA 35 13.950 -2.472 15.449 277 HB1 ALA 35 3HB ALA 35 12.955 -3.127 17.602 278 HB2 ALA 35 1HB ALA 35 14.426 -4.049 17.283 279 HB3 ALA 35 2HB ALA 35 12.841 -4.799 17.056 280 H GLU 36 H GLU 36 12.228 -5.000 13.920 281 HA GLU 36 HA GLU 36 14.308 -6.888 13.498 282 HB2 GLU 36 1HB GLU 36 11.975 -7.565 13.506 283 HB3 GLU 36 2HB GLU 36 11.607 -6.482 12.172 284 HG2 GLU 36 1HG GLU 36 12.839 -7.841 10.616 285 HG3 GLU 36 2HG GLU 36 13.481 -8.846 11.916 286 H SER 37 H SER 37 13.012 -4.239 11.456 287 HA SER 37 HA SER 37 15.247 -4.656 9.545 288 HB2 SER 37 1HB SER 37 13.152 -5.765 8.720 289 HB3 SER 37 2HB SER 37 12.335 -4.203 8.752 290 HG SER 37 HG SER 37 14.110 -5.240 6.936 291 H GLY 38 H GLY 38 13.889 -2.520 11.633 292 HA2 GLY 38 1HA GLY 38 14.369 -0.262 11.931 293 HA3 GLY 38 2HA GLY 38 15.017 -0.181 10.295 294 H ALA 39 H ALA 39 13.803 1.016 8.948 295 HA ALA 39 HA ALA 39 11.083 1.754 9.486 296 HB1 ALA 39 3HB ALA 39 12.592 3.291 8.305 297 HB2 ALA 39 1HB ALA 39 11.181 2.925 7.312 298 HB3 ALA 39 2HB ALA 39 12.733 2.159 6.960 299 H TYR 40 H TYR 40 9.209 0.951 8.613 300 HA TYR 40 HA TYR 40 9.177 -0.520 6.133 301 HB2 TYR 40 1HB TYR 40 8.454 -2.641 6.813 302 HB3 TYR 40 2HB TYR 40 9.639 -2.275 8.053 303 HD1 TYR 40 HD1 TYR 40 8.639 -1.213 10.291 304 HD2 TYR 40 HD2 TYR 40 6.330 -3.429 7.453 305 HE1 TYR 40 HE1 TYR 40 6.967 -1.706 12.017 306 HE2 TYR 40 HE2 TYR 40 4.657 -3.916 9.185 307 HH TYR 40 HH TYR 40 4.448 -4.015 11.565 308 H VAL 41 H VAL 41 6.774 -1.137 5.615 309 HA VAL 41 HA VAL 41 4.873 0.678 6.985 310 HB VAL 41 HB VAL 41 4.800 0.193 3.972 311 HG11 VAL 41 1HG1 VAL 41 3.320 2.217 5.698 312 HG12 VAL 41 2HG1 VAL 41 2.624 0.766 4.974 313 HG13 VAL 41 3HG1 VAL 41 3.195 2.078 3.942 314 HG21 VAL 41 3HG2 VAL 41 5.900 2.660 5.371 315 HG22 VAL 41 1HG2 VAL 41 5.652 2.485 3.631 316 HG23 VAL 41 2HG2 VAL 41 6.842 1.479 4.458 317 H HIS 42 H HIS 42 3.068 -0.333 7.637 318 HA HIS 42 HA HIS 42 2.489 -3.107 6.888 319 HB2 HIS 42 1HB HIS 42 2.296 -2.688 9.255 320 HB3 HIS 42 2HB HIS 42 1.379 -1.209 9.005 321 HD1 HIS 42 HD1 HIS 42 -0.784 -1.733 10.164 322 HD2 HIS 42 HD2 HIS 42 0.377 -4.828 7.656 323 HE1 HIS 42 HE1 HIS 42 -2.694 -3.357 10.166 324 HE2 HIS 42 HE2 HIS 42 -1.876 -5.313 8.818 325 H PHE 43 H PHE 43 1.233 -3.444 5.124 326 HA PHE 43 HA PHE 43 -0.759 -1.400 4.295 327 HB2 PHE 43 1HB PHE 43 0.307 -3.777 2.702 328 HB3 PHE 43 2HB PHE 43 -0.677 -2.452 2.085 329 HD1 PHE 43 HD1 PHE 43 0.336 -0.092 2.079 330 HD2 PHE 43 HD2 PHE 43 2.696 -3.601 2.728 331 HE1 PHE 43 HE1 PHE 43 2.369 1.156 1.488 332 HE2 PHE 43 HE2 PHE 43 4.722 -2.335 2.129 333 HZ PHE 43 HZ PHE 43 4.564 0.034 1.508 334 H ASP 44 H ASP 44 -2.646 -1.825 5.228 335 HA ASP 44 HA ASP 44 -3.740 -4.579 5.375 336 HB2 ASP 44 1HB ASP 44 -3.712 -3.187 7.488 337 HB3 ASP 44 2HB ASP 44 -4.778 -2.031 6.704 338 H MET 45 H MET 45 -5.624 -5.110 4.249 339 HA MET 45 HA MET 45 -7.075 -3.026 2.784 340 HB2 MET 45 1HB MET 45 -5.989 -5.495 1.366 341 HB3 MET 45 2HB MET 45 -7.074 -4.303 0.660 342 HG2 MET 45 1HG MET 45 -5.203 -2.597 1.106 343 HG3 MET 45 2HG MET 45 -4.157 -3.992 1.368 344 HE1 MET 45 3HE MET 45 -3.983 -5.985 -0.557 345 HE2 MET 45 1HE MET 45 -4.633 -5.781 -2.183 346 HE3 MET 45 2HE MET 45 -5.730 -5.979 -0.816 347 H ASP 46 H ASP 46 -9.215 -3.444 2.478 348 HA ASP 46 HA ASP 46 -10.427 -6.036 2.718 349 HB2 ASP 46 1HB ASP 46 -11.664 -5.756 4.779 350 HB3 ASP 46 2HB ASP 46 -9.964 -5.512 5.150 351 H GLY 47 H GLY 47 -12.810 -5.899 2.419 352 HA2 GLY 47 1HA GLY 47 -14.482 -3.838 2.090 353 HA3 GLY 47 2HA GLY 47 -13.480 -3.654 0.651 354 H GLU 48 H GLU 48 -14.514 -4.420 -1.066 355 HA GLU 48 HA GLU 48 -15.637 -7.093 -1.182 356 HB2 GLU 48 1HB GLU 48 -17.907 -6.269 -1.893 357 HB3 GLU 48 2HB GLU 48 -17.529 -5.892 -0.215 358 HG2 GLU 48 1HG GLU 48 -16.746 -3.558 -1.195 359 HG3 GLU 48 2HG GLU 48 -17.737 -4.016 -2.578 360 H ILE 49 H ILE 49 -16.605 -7.340 -3.697 361 HA ILE 49 HA ILE 49 -15.262 -5.959 -5.627 362 HB ILE 49 HB ILE 49 -13.782 -8.515 -4.813 363 HG12 ILE 49 1HG1 ILE 49 -12.737 -5.708 -5.436 364 HG13 ILE 49 2HG1 ILE 49 -12.849 -6.433 -3.838 365 HG21 ILE 49 1HG2 ILE 49 -12.571 -8.373 -7.019 366 HG22 ILE 49 2HG2 ILE 49 -13.688 -7.096 -7.513 367 HG23 ILE 49 3HG2 ILE 49 -14.291 -8.722 -7.203 368 HD11 ILE 49 3HD1 ILE 49 -11.159 -8.075 -4.456 369 HD12 ILE 49 1HD1 ILE 49 -10.577 -6.423 -4.666 370 HD13 ILE 49 2HD1 ILE 49 -11.056 -7.371 -6.073 371 H ASP 50 H ASP 50 -16.927 -6.244 -7.022 372 HA ASP 50 HA ASP 50 -18.809 -7.013 -8.003 373 HB2 ASP 50 1HB ASP 50 -17.193 -8.610 -9.085 374 HB3 ASP 50 2HB ASP 50 -17.476 -9.756 -7.778 375 H GLY 51 H GLY 51 -19.004 -6.465 -5.385 376 HA2 GLY 51 1HA GLY 51 -20.590 -6.568 -3.732 377 HA3 GLY 51 2HA GLY 51 -21.261 -8.017 -4.457 378 H LYS 52 H LYS 52 -18.445 -9.256 -4.327 379 HA LYS 52 HA LYS 52 -19.031 -10.684 -1.890 380 HB2 LYS 52 1HB LYS 52 -17.015 -11.070 -4.124 381 HB3 LYS 52 2HB LYS 52 -17.234 -12.212 -2.796 382 HG2 LYS 52 1HG LYS 52 -19.457 -12.771 -3.504 383 HG3 LYS 52 2HG LYS 52 -19.510 -11.433 -4.656 384 HD2 LYS 52 1HD LYS 52 -17.639 -13.830 -4.869 385 HD3 LYS 52 2HD LYS 52 -19.175 -13.680 -5.725 386 HE2 LYS 52 1HE LYS 52 -18.322 -11.654 -6.884 387 HE3 LYS 52 2HE LYS 52 -16.779 -11.834 -6.042 388 HZ1 LYS 52 3HZ LYS 52 -16.483 -13.968 -7.127 389 HZ2 LYS 52 1HZ LYS 52 -16.687 -12.736 -8.269 390 HZ3 LYS 52 2HZ LYS 52 -17.963 -13.796 -7.933 391 HA PRO 53 HA PRO 53 -16.036 -8.186 0.408 392 HB2 PRO 53 1HB PRO 53 -16.142 -9.514 2.805 393 HB3 PRO 53 2HB PRO 53 -17.440 -8.453 2.237 394 HG2 PRO 53 1HG PRO 53 -17.246 -11.463 2.047 395 HG3 PRO 53 2HG PRO 53 -18.613 -10.467 2.598 396 HD2 PRO 53 1HD PRO 53 -18.523 -11.470 0.086 397 HD3 PRO 53 2HD PRO 53 -19.225 -9.869 0.417 398 H PHE 54 H PHE 54 -13.865 -8.268 1.030 399 HA PHE 54 HA PHE 54 -12.517 -10.845 1.392 400 HB2 PHE 54 1HB PHE 54 -10.837 -10.499 -0.257 401 HB3 PHE 54 2HB PHE 54 -12.334 -10.121 -1.087 402 HD1 PHE 54 HD1 PHE 54 -12.997 -7.488 -0.988 403 HD2 PHE 54 HD2 PHE 54 -9.031 -9.054 -0.567 404 HE1 PHE 54 HE1 PHE 54 -12.056 -5.309 -1.628 405 HE2 PHE 54 HE2 PHE 54 -8.105 -6.871 -1.212 406 HZ PHE 54 HZ PHE 54 -9.614 -5.003 -1.739 407 H SER 55 H SER 55 -10.741 -10.694 2.795 408 HA SER 55 HA SER 55 -9.766 -8.036 3.633 409 HB2 SER 55 1HB SER 55 -10.680 -10.203 5.580 410 HB3 SER 55 2HB SER 55 -9.919 -8.678 6.031 411 HG SER 55 HG SER 55 -11.952 -8.029 4.508 412 H ASP 56 H ASP 56 -7.624 -8.045 3.389 413 HA ASP 56 HA ASP 56 -5.932 -10.246 4.304 414 HB2 ASP 56 1HB ASP 56 -6.414 -10.863 1.950 415 HB3 ASP 56 2HB ASP 56 -5.945 -9.259 1.402 416 H SER 57 H SER 57 -3.671 -9.568 4.549 417 HA SER 57 HA SER 57 -3.004 -6.757 4.082 418 HB2 SER 57 1HB SER 57 -2.197 -6.449 6.447 419 HB3 SER 57 2HB SER 57 -3.946 -6.651 6.336 420 HG SER 57 HG SER 57 -3.055 -9.057 6.631 421 H PHE 58 H PHE 58 -0.838 -6.394 3.817 422 HA PHE 58 HA PHE 58 1.101 -8.550 4.318 423 HB2 PHE 58 1HB PHE 58 2.171 -8.133 2.102 424 HB3 PHE 58 2HB PHE 58 0.549 -8.786 1.955 425 HD1 PHE 58 HD2 PHE 58 -1.353 -7.258 1.248 426 HD2 PHE 58 HD1 PHE 58 2.738 -6.009 1.121 427 HE1 PHE 58 HE2 PHE 58 -1.950 -5.427 -0.284 428 HE2 PHE 58 HE1 PHE 58 2.132 -4.194 -0.410 429 HZ PHE 58 HZ PHE 58 -0.205 -3.897 -1.114 430 H GLU 59 H GLU 59 3.065 -7.835 5.021 431 HA GLU 59 HA GLU 59 3.420 -4.924 5.446 432 HB2 GLU 59 1HB GLU 59 4.467 -7.215 7.182 433 HB3 GLU 59 2HB GLU 59 4.780 -5.507 7.451 434 HG2 GLU 59 1HG GLU 59 3.122 -6.114 9.016 435 HG3 GLU 59 2HG GLU 59 2.286 -5.202 7.769 436 H LEU 60 H LEU 60 5.144 -4.064 4.457 437 HA LEU 60 HA LEU 60 7.256 -5.863 3.401 438 HB2 LEU 60 1HB LEU 60 6.224 -3.296 2.138 439 HB3 LEU 60 2HB LEU 60 7.487 -4.334 1.491 440 HG LEU 60 HG LEU 60 4.526 -5.028 1.730 441 HD11 LEU 60 1HD1 LEU 60 6.231 -4.574 -0.743 442 HD12 LEU 60 2HD1 LEU 60 5.021 -3.460 -0.102 443 HD13 LEU 60 3HD1 LEU 60 4.526 -5.033 -0.721 444 HD21 LEU 60 3HD2 LEU 60 5.873 -7.043 2.131 445 HD22 LEU 60 1HD2 LEU 60 6.784 -6.752 0.645 446 HD23 LEU 60 2HD2 LEU 60 5.062 -7.133 0.572 447 HA PRO 61 HA PRO 61 10.041 -3.232 5.885 448 HB2 PRO 61 1HB PRO 61 12.372 -4.149 4.694 449 HB3 PRO 61 2HB PRO 61 11.544 -4.972 6.014 450 HG2 PRO 61 1HG PRO 61 11.361 -5.497 3.049 451 HG3 PRO 61 2HG PRO 61 11.563 -6.659 4.379 452 HD2 PRO 61 1HD PRO 61 9.160 -6.274 3.270 453 HD3 PRO 61 2HD PRO 61 9.301 -6.486 5.033 454 H ARG 62 H ARG 62 11.382 -1.436 5.469 455 HA ARG 62 HA ARG 62 10.789 0.426 3.649 456 HB2 ARG 62 1HB ARG 62 12.960 1.529 4.108 457 HB3 ARG 62 2HB ARG 62 12.242 0.862 5.571 458 HG2 ARG 62 1HG ARG 62 13.745 -1.083 5.456 459 HG3 ARG 62 2HG ARG 62 14.453 -0.452 3.970 460 HD2 ARG 62 1HD ARG 62 15.200 1.569 5.288 461 HD3 ARG 62 2HD ARG 62 14.669 0.728 6.755 462 HE ARG 62 HE ARG 62 16.355 -0.988 5.293 463 HH11 ARG 62 1HH1 ARG 62 16.651 1.965 7.191 464 HH12 ARG 62 2HH1 ARG 62 18.322 1.685 7.553 465 HH21 ARG 62 1HH2 ARG 62 18.536 -1.308 5.771 466 HH22 ARG 62 2HH2 ARG 62 19.381 -0.154 6.752 467 H ASP 63 H ASP 63 13.187 -2.118 3.007 468 HA ASP 63 HA ASP 63 14.203 -0.956 0.587 469 HB2 ASP 63 1HB ASP 63 14.615 -3.613 2.005 470 HB3 ASP 63 2HB ASP 63 15.287 -3.346 0.400 471 H THR 64 H THR 64 11.355 -2.719 1.224 472 HA THR 64 HA THR 64 10.981 -3.391 -1.624 473 HB THR 64 HB THR 64 9.774 -5.488 -0.953 474 HG1 THR 64 HG1 THR 64 9.406 -5.812 1.081 475 HG21 THR 64 3HG2 THR 64 12.673 -5.431 -0.030 476 HG22 THR 64 1HG2 THR 64 12.133 -5.661 -1.696 477 HG23 THR 64 2HG2 THR 64 11.754 -6.873 -0.470 478 H ALA 65 H ALA 65 9.931 -1.500 0.802 479 HA ALA 65 HA ALA 65 7.151 -1.909 1.066 480 HB1 ALA 65 3HB ALA 65 7.076 0.366 1.999 481 HB2 ALA 65 1HB ALA 65 8.691 0.696 1.363 482 HB3 ALA 65 2HB ALA 65 8.469 -0.517 2.625 483 H PHE 66 H PHE 66 9.011 -0.109 -1.237 484 HA PHE 66 HA PHE 66 7.060 1.301 -2.610 485 HB2 PHE 66 1HB PHE 66 9.551 0.106 -3.901 486 HB3 PHE 66 2HB PHE 66 8.707 1.579 -4.368 487 HD1 PHE 66 HD2 PHE 66 8.682 3.530 -2.620 488 HD2 PHE 66 HD1 PHE 66 11.399 0.231 -2.419 489 HE1 PHE 66 HE2 PHE 66 10.184 4.836 -1.176 490 HE2 PHE 66 HE1 PHE 66 12.885 1.546 -0.971 491 HZ PHE 66 HZ PHE 66 12.281 3.855 -0.352 492 H ASN 67 H ASN 67 7.694 -2.120 -2.712 493 HA ASN 67 HA ASN 67 6.822 -2.648 -5.410 494 HB2 ASN 67 1HB ASN 67 7.349 -4.499 -3.052 495 HB3 ASN 67 2HB ASN 67 6.973 -5.069 -4.677 496 HD21 ASN 67 2HD2 ASN 67 9.340 -5.580 -3.100 497 HD22 ASN 67 1HD2 ASN 67 10.686 -4.973 -3.996 498 H PHE 68 H PHE 68 5.054 -1.702 -2.782 499 HA PHE 68 HA PHE 68 2.927 -3.599 -2.683 500 HB2 PHE 68 1HB PHE 68 2.020 -2.263 -1.002 501 HB3 PHE 68 2HB PHE 68 3.700 -1.765 -0.910 502 HD1 PHE 68 HD1 PHE 68 4.332 0.393 -2.352 503 HD2 PHE 68 HD2 PHE 68 0.344 -0.616 -1.159 504 HE1 PHE 68 HE1 PHE 68 3.625 2.721 -2.692 505 HE2 PHE 68 HE2 PHE 68 -0.342 1.721 -1.497 506 HZ PHE 68 HZ PHE 68 1.296 3.390 -2.263 507 H ALA 69 H ALA 69 3.660 -1.297 -5.106 508 HA ALA 69 HA ALA 69 1.045 -0.026 -5.286 509 HB1 ALA 69 3HB ALA 69 3.494 0.215 -7.080 510 HB2 ALA 69 1HB ALA 69 3.067 1.305 -5.757 511 HB3 ALA 69 2HB ALA 69 2.037 1.207 -7.188 512 H SER 70 H SER 70 3.091 -2.229 -7.090 513 HA SER 70 HA SER 70 1.093 -3.107 -8.974 514 HB2 SER 70 1HB SER 70 2.906 -4.900 -9.434 515 HB3 SER 70 2HB SER 70 3.356 -3.219 -9.730 516 HG SER 70 HG SER 70 4.998 -3.895 -8.528 517 H ASP 71 H ASP 71 2.250 -4.178 -5.796 518 HA ASP 71 HA ASP 71 1.271 -6.862 -5.942 519 HB2 ASP 71 1HB ASP 71 3.170 -6.144 -4.471 520 HB3 ASP 71 2HB ASP 71 2.033 -5.274 -3.451 521 H ALA 72 H ALA 72 0.161 -4.134 -3.891 522 HA ALA 72 HA ALA 72 -2.165 -5.092 -2.843 523 HB1 ALA 72 3HB ALA 72 -2.932 -2.768 -2.624 524 HB2 ALA 72 1HB ALA 72 -1.740 -2.251 -3.825 525 HB3 ALA 72 2HB ALA 72 -1.208 -2.896 -2.273 526 H THR 73 H THR 73 -1.811 -3.554 -6.033 527 HA THR 73 HA THR 73 -4.506 -3.698 -6.850 528 HB THR 73 HB THR 73 -2.045 -3.751 -8.654 529 HG1 THR 73 HG1 THR 73 -1.717 -1.797 -7.959 530 HG21 THR 73 3HG2 THR 73 -4.881 -2.756 -9.186 531 HG22 THR 73 1HG2 THR 73 -4.155 -4.213 -9.872 532 HG23 THR 73 2HG2 THR 73 -3.523 -2.625 -10.305 533 H ARG 74 H ARG 74 -1.737 -5.885 -7.453 534 HA ARG 74 HA ARG 74 -2.942 -7.904 -8.903 535 HB2 ARG 74 1HB ARG 74 -0.531 -7.899 -8.566 536 HB3 ARG 74 2HB ARG 74 -0.726 -8.152 -6.833 537 HG2 ARG 74 1HG ARG 74 -1.766 -10.396 -7.339 538 HG3 ARG 74 2HG ARG 74 -1.384 -10.134 -9.041 539 HD2 ARG 74 1HD ARG 74 1.013 -10.105 -8.527 540 HD3 ARG 74 2HD ARG 74 0.665 -10.233 -6.798 541 HE ARG 74 HE ARG 74 -0.455 -12.379 -8.361 542 HH11 ARG 74 1HH1 ARG 74 2.436 -11.356 -6.645 543 HH12 ARG 74 2HH1 ARG 74 3.024 -12.973 -6.435 544 HH21 ARG 74 1HH2 ARG 74 0.311 -14.477 -8.076 545 HH22 ARG 74 2HH2 ARG 74 1.822 -14.746 -7.269 546 H VAL 75 H VAL 75 -2.926 -7.520 -5.347 547 HA VAL 75 HA VAL 75 -4.053 -10.028 -4.662 548 HB VAL 75 HB VAL 75 -4.285 -7.399 -3.112 549 HG11 VAL 75 1HG1 VAL 75 -4.620 -8.825 -1.096 550 HG12 VAL 75 2HG1 VAL 75 -4.631 -10.262 -2.122 551 HG13 VAL 75 3HG1 VAL 75 -5.906 -9.055 -2.282 552 HG21 VAL 75 3HG2 VAL 75 -2.323 -8.170 -1.823 553 HG22 VAL 75 1HG2 VAL 75 -1.929 -7.971 -3.531 554 HG23 VAL 75 2HG2 VAL 75 -2.184 -9.585 -2.868 555 H ALA 76 H ALA 76 -5.504 -6.881 -5.501 556 HA ALA 76 HA ALA 76 -8.218 -7.583 -4.992 557 HB1 ALA 76 3HB ALA 76 -8.704 -5.498 -6.207 558 HB2 ALA 76 1HB ALA 76 -7.022 -5.401 -6.737 559 HB3 ALA 76 2HB ALA 76 -7.417 -5.253 -5.022 560 H GLN 77 H GLN 77 -6.111 -7.555 -7.850 561 HA GLN 77 HA GLN 77 -7.960 -8.248 -9.850 562 HB2 GLN 77 1HB GLN 77 -4.952 -8.716 -9.693 563 HB3 GLN 77 2HB GLN 77 -5.903 -9.056 -11.137 564 HG2 GLN 77 1HG GLN 77 -6.533 -6.705 -11.313 565 HG3 GLN 77 2HG GLN 77 -5.662 -6.333 -9.828 566 HE21 GLN 77 2HE2 GLN 77 -5.298 -5.202 -12.473 567 HE22 GLN 77 1HE2 GLN 77 -3.656 -5.503 -12.911 568 H LYS 78 H LYS 78 -6.091 -10.243 -7.632 569 HA LYS 78 HA LYS 78 -6.651 -12.779 -8.640 570 HB2 LYS 78 1HB LYS 78 -6.171 -11.895 -5.765 571 HB3 LYS 78 2HB LYS 78 -6.223 -13.579 -6.280 572 HG2 LYS 78 1HG LYS 78 -4.262 -13.217 -7.728 573 HG3 LYS 78 2HG LYS 78 -4.218 -11.519 -7.260 574 HD2 LYS 78 1HD LYS 78 -2.535 -12.786 -6.002 575 HD3 LYS 78 2HD LYS 78 -3.779 -12.177 -4.905 576 HE2 LYS 78 1HE LYS 78 -3.190 -14.495 -4.344 577 HE3 LYS 78 2HE LYS 78 -4.859 -14.413 -4.906 578 HZ1 LYS 78 3HZ LYS 78 -2.505 -15.310 -6.481 579 HZ2 LYS 78 1HZ LYS 78 -4.074 -15.160 -7.096 580 HZ3 LYS 78 2HZ LYS 78 -3.749 -16.283 -5.880 581 H HIS 79 H HIS 79 -8.648 -10.660 -6.549 582 HA HIS 79 HA HIS 79 -10.605 -12.802 -6.100 583 HB2 HIS 79 1HB HIS 79 -9.935 -11.073 -4.328 584 HB3 HIS 79 2HB HIS 79 -10.824 -9.878 -5.255 585 HD1 HIS 79 HD1 HIS 79 -11.245 -12.600 -2.793 586 HD2 HIS 79 HD2 HIS 79 -13.693 -10.265 -5.194 587 HE1 HIS 79 HE1 HIS 79 -13.564 -12.879 -1.872 588 HE2 HIS 79 HE2 HIS 79 -14.964 -11.254 -3.183 589 H GLY 80 H GLY 80 -10.658 -9.528 -7.853 590 HA2 GLY 80 1HA GLY 80 -10.987 -10.742 -10.289 591 HA3 GLY 80 2HA GLY 80 -12.619 -10.571 -9.657 592 H LEU 81 H LEU 81 -9.886 -8.319 -9.242 593 HA LEU 81 HA LEU 81 -11.378 -6.094 -10.399 594 HB2 LEU 81 1HB LEU 81 -10.042 -5.731 -8.378 595 HB3 LEU 81 2HB LEU 81 -8.596 -6.311 -9.158 596 HG LEU 81 HG LEU 81 -8.917 -3.732 -8.696 597 HD11 LEU 81 1HD1 LEU 81 -6.974 -4.588 -9.846 598 HD12 LEU 81 2HD1 LEU 81 -7.527 -3.103 -10.616 599 HD13 LEU 81 3HD1 LEU 81 -7.861 -4.666 -11.369 600 HD21 LEU 81 3HD2 LEU 81 -9.895 -2.433 -10.506 601 HD22 LEU 81 1HD2 LEU 81 -11.105 -3.479 -9.767 602 HD23 LEU 81 2HD2 LEU 81 -10.404 -3.910 -11.328 603 H HIS 82 H HIS 82 -11.116 -5.313 -12.412 604 HA HIS 82 HA HIS 82 -10.034 -6.844 -14.495 605 HB2 HIS 82 1HB HIS 82 -11.896 -5.366 -14.917 606 HB3 HIS 82 2HB HIS 82 -10.996 -3.963 -14.357 607 HD1 HIS 82 HD1 HIS 82 -9.728 -2.666 -16.076 608 HD2 HIS 82 HD2 HIS 82 -11.043 -6.330 -17.531 609 HE1 HIS 82 HE1 HIS 82 -9.177 -2.651 -18.521 610 HE2 HIS 82 HE2 HIS 82 -9.913 -4.903 -19.366 611 HA PRO 83 HA PRO 83 -5.678 -5.368 -14.475 612 HB2 PRO 83 1HB PRO 83 -5.736 -6.576 -17.235 613 HB3 PRO 83 2HB PRO 83 -4.589 -6.845 -15.912 614 HG2 PRO 83 1HG PRO 83 -6.412 -8.713 -16.514 615 HG3 PRO 83 2HG PRO 83 -6.001 -8.370 -14.818 616 HD2 PRO 83 1HD PRO 83 -8.401 -7.446 -16.411 617 HD3 PRO 83 2HD PRO 83 -8.326 -8.071 -14.745 618 H LYS 84 H LYS 84 -6.248 -3.221 -14.510 619 HA LYS 84 HA LYS 84 -7.606 -1.763 -16.462 620 HB2 LYS 84 1HB LYS 84 -7.319 -1.026 -14.137 621 HB3 LYS 84 2HB LYS 84 -5.583 -0.853 -14.376 622 HG2 LYS 84 1HG LYS 84 -6.022 0.980 -16.018 623 HG3 LYS 84 2HG LYS 84 -7.753 0.827 -15.692 624 HD2 LYS 84 1HD LYS 84 -7.408 1.489 -13.357 625 HD3 LYS 84 2HD LYS 84 -5.657 1.505 -13.586 626 HE2 LYS 84 1HE LYS 84 -5.913 3.363 -15.221 627 HE3 LYS 84 2HE LYS 84 -7.654 3.367 -14.923 628 HZ1 LYS 84 3HZ LYS 84 -6.493 5.067 -13.653 629 HZ2 LYS 84 1HZ LYS 84 -5.562 3.887 -12.882 630 HZ3 LYS 84 2HZ LYS 84 -7.234 3.942 -12.632 631 H PHE 85 H PHE 85 -4.238 -2.652 -16.264 632 HA PHE 85 HA PHE 85 -2.953 -0.829 -17.919 633 HB2 PHE 85 1HB PHE 85 -1.787 -2.550 -16.577 634 HB3 PHE 85 2HB PHE 85 -2.448 -3.826 -17.592 635 HD1 PHE 85 HD2 PHE 85 -0.137 -0.887 -17.615 636 HD2 PHE 85 HD1 PHE 85 -1.312 -4.485 -19.612 637 HE1 PHE 85 HE2 PHE 85 1.827 -0.720 -19.081 638 HE2 PHE 85 HE1 PHE 85 0.656 -4.303 -21.079 639 HZ PHE 85 HZ PHE 85 2.225 -2.424 -20.813 640 H GLY 86 H GLY 86 -4.522 -3.901 -18.850 641 HA2 GLY 86 1HA GLY 86 -5.250 -4.754 -20.844 642 HA3 GLY 86 2HA GLY 86 -5.430 -3.093 -21.395 643 H ALA 87 H ALA 87 -3.770 -2.130 -22.574 644 HA ALA 87 HA ALA 87 -1.232 -3.395 -23.103 645 HB1 ALA 87 3HB ALA 87 -2.670 -4.717 -24.625 646 HB2 ALA 87 1HB ALA 87 -1.565 -3.689 -25.539 647 HB3 ALA 87 2HB ALA 87 -3.263 -3.236 -25.377 648 H ILE 88 H ILE 88 -0.236 -1.479 -22.526 649 HA ILE 88 HA ILE 88 -0.430 0.790 -24.335 650 HB ILE 88 HB ILE 88 -2.236 1.351 -22.794 651 HG12 ILE 88 1HG1 ILE 88 0.218 3.063 -22.160 652 HG13 ILE 88 2HG1 ILE 88 -0.788 3.229 -23.594 653 HG21 ILE 88 1HG2 ILE 88 -1.609 -0.015 -20.852 654 HG22 ILE 88 2HG2 ILE 88 -1.914 1.649 -20.353 655 HG23 ILE 88 3HG2 ILE 88 -0.256 1.062 -20.503 656 HD11 ILE 88 3HD1 ILE 88 -1.658 3.703 -20.749 657 HD12 ILE 88 1HD1 ILE 88 -2.684 3.864 -22.177 658 HD13 ILE 88 2HD1 ILE 88 -1.297 4.933 -21.957 659 H THR 89 H THR 89 1.564 1.509 -24.698 660 HA THR 89 HA THR 89 3.807 0.839 -22.933 661 HB THR 89 HB THR 89 5.199 1.808 -24.826 662 HG1 THR 89 HG1 THR 89 4.188 2.415 -26.710 663 HG21 THR 89 3HG2 THR 89 3.243 -0.379 -25.634 664 HG22 THR 89 1HG2 THR 89 4.750 -0.620 -24.745 665 HG23 THR 89 2HG2 THR 89 4.791 -0.045 -26.412 666 H ARG 90 H ARG 90 1.980 3.647 -24.032 667 HA ARG 90 HA ARG 90 3.783 5.595 -22.849 668 HB2 ARG 90 1HB ARG 90 1.097 5.892 -24.254 669 HB3 ARG 90 2HB ARG 90 2.005 7.253 -23.605 670 HG2 ARG 90 1HG ARG 90 2.992 5.376 -25.784 671 HG3 ARG 90 2HG ARG 90 2.317 6.987 -26.048 672 HD2 ARG 90 1HD ARG 90 4.866 6.347 -24.505 673 HD3 ARG 90 2HD ARG 90 4.782 7.040 -26.126 674 HE ARG 90 HE ARG 90 3.676 9.003 -25.081 675 HH11 ARG 90 1HH1 ARG 90 5.685 6.992 -23.008 676 HH12 ARG 90 2HH1 ARG 90 6.048 8.288 -21.918 677 HH21 ARG 90 1HH2 ARG 90 4.171 10.674 -23.629 678 HH22 ARG 90 2HH2 ARG 90 5.199 10.357 -22.268 679 H VAL 91 H VAL 91 3.559 4.476 -20.728 680 HA VAL 91 HA VAL 91 1.171 5.210 -19.175 681 HB VAL 91 HB VAL 91 2.173 3.843 -17.350 682 HG11 VAL 91 1HG1 VAL 91 1.915 1.618 -18.419 683 HG12 VAL 91 2HG1 VAL 91 2.008 2.371 -20.013 684 HG13 VAL 91 3HG1 VAL 91 0.657 2.744 -18.940 685 HG21 VAL 91 3HG2 VAL 91 4.579 4.157 -17.823 686 HG22 VAL 91 1HG2 VAL 91 4.427 3.232 -19.320 687 HG23 VAL 91 2HG2 VAL 91 4.188 2.439 -17.760 688 H HIS 92 H HIS 92 1.225 6.700 -17.519 689 HA HIS 92 HA HIS 92 3.499 8.543 -17.400 690 HB2 HIS 92 1HB HIS 92 1.056 9.318 -17.457 691 HB3 HIS 92 2HB HIS 92 0.887 8.704 -15.815 692 HD1 HIS 92 HD1 HIS 92 1.490 10.358 -13.984 693 HD2 HIS 92 HD2 HIS 92 3.067 11.448 -17.662 694 HE1 HIS 92 HE1 HIS 92 2.505 12.622 -13.635 695 HE2 HIS 92 HE2 HIS 92 3.329 13.311 -15.908 696 H LYS 93 H LYS 93 4.649 9.003 -15.420 697 HA LYS 93 HA LYS 93 5.245 6.577 -13.981 698 HB2 LYS 93 1HB LYS 93 6.451 9.359 -13.739 699 HB3 LYS 93 2HB LYS 93 7.073 7.917 -12.949 700 HG2 LYS 93 1HG LYS 93 7.401 6.895 -15.242 701 HG3 LYS 93 2HG LYS 93 6.973 8.463 -15.928 702 HD2 LYS 93 1HD LYS 93 9.349 7.877 -14.108 703 HD3 LYS 93 2HD LYS 93 9.419 8.186 -15.844 704 HE2 LYS 93 1HE LYS 93 8.529 10.182 -13.725 705 HE3 LYS 93 2HE LYS 93 10.096 10.167 -14.529 706 HZ1 LYS 93 3HZ LYS 93 7.470 10.607 -15.835 707 HZ2 LYS 93 1HZ LYS 93 8.963 10.548 -16.635 708 HZ3 LYS 93 2HZ LYS 93 8.648 11.779 -15.521 709 H GLU 94 H GLU 94 3.306 6.240 -12.825 710 HA GLU 94 HA GLU 94 2.487 7.961 -10.636 711 HB2 GLU 94 1HB GLU 94 1.711 5.038 -11.096 712 HB3 GLU 94 2HB GLU 94 0.848 6.238 -10.140 713 HG2 GLU 94 1HG GLU 94 1.099 6.118 -13.152 714 HG3 GLU 94 2HG GLU 94 -0.350 5.843 -12.189 715 H TYR 95 H TYR 95 3.966 4.769 -11.010 716 HA TYR 95 HA TYR 95 4.472 4.091 -8.358 717 HB2 TYR 95 1HB TYR 95 4.567 2.443 -10.175 718 HB3 TYR 95 2HB TYR 95 5.920 3.283 -10.918 719 HD1 TYR 95 HD2 TYR 95 4.926 1.244 -7.961 720 HD2 TYR 95 HD1 TYR 95 8.200 2.831 -10.198 721 HE1 TYR 95 HE2 TYR 95 6.486 -0.151 -6.683 722 HE2 TYR 95 HE1 TYR 95 9.760 1.437 -8.910 723 HH TYR 95 HH TYR 95 8.696 -1.092 -6.844 724 H ASP 96 H ASP 96 6.559 5.673 -10.770 725 HA ASP 96 HA ASP 96 8.930 5.856 -9.303 726 HB2 ASP 96 1HB ASP 96 8.892 6.159 -11.698 727 HB3 ASP 96 2HB ASP 96 7.792 7.522 -11.565 728 H ALA 97 H ALA 97 6.152 8.068 -9.384 729 HA ALA 97 HA ALA 97 7.455 10.198 -7.957 730 HB1 ALA 97 3HB ALA 97 5.236 11.253 -7.927 731 HB2 ALA 97 1HB ALA 97 4.507 9.752 -8.513 732 HB3 ALA 97 2HB ALA 97 5.633 10.646 -9.536 733 H MET 98 H MET 98 4.913 7.821 -7.046 734 HA MET 98 HA MET 98 4.801 8.461 -4.301 735 HB2 MET 98 1HB MET 98 3.040 7.195 -5.518 736 HB3 MET 98 2HB MET 98 4.124 5.821 -5.668 737 HG2 MET 98 1HG MET 98 4.072 5.441 -3.280 738 HG3 MET 98 2HG MET 98 3.174 6.936 -3.011 739 HE1 MET 98 3HE MET 98 1.011 6.917 -5.343 740 HE2 MET 98 1HE MET 98 0.589 7.260 -3.664 741 HE3 MET 98 2HE MET 98 -0.329 6.066 -4.578 742 H PHE 99 H PHE 99 6.763 6.154 -6.035 743 HA PHE 99 HA PHE 99 8.300 4.902 -4.123 744 HB2 PHE 99 1HB PHE 99 8.566 4.676 -6.644 745 HB3 PHE 99 2HB PHE 99 9.495 6.162 -6.641 746 HD1 PHE 99 HD1 PHE 99 11.697 6.161 -5.167 747 HD2 PHE 99 HD2 PHE 99 9.663 2.601 -6.390 748 HE1 PHE 99 HE1 PHE 99 13.755 4.862 -4.829 749 HE2 PHE 99 HE2 PHE 99 11.727 1.313 -6.045 750 HZ PHE 99 HZ PHE 99 13.775 2.436 -5.266 751 H GLU 100 H GLU 100 8.693 8.204 -5.356 752 HA GLU 100 HA GLU 100 10.955 8.828 -3.697 753 HB2 GLU 100 1HB GLU 100 9.227 10.609 -5.434 754 HB3 GLU 100 2HB GLU 100 10.652 11.165 -4.554 755 HG2 GLU 100 1HG GLU 100 10.611 9.061 -6.742 756 HG3 GLU 100 2HG GLU 100 11.176 10.724 -6.905 757 H ASP 101 H ASP 101 7.496 9.174 -3.388 758 HA ASP 101 HA ASP 101 7.484 11.044 -1.237 759 HB2 ASP 101 1HB ASP 101 5.483 10.549 -2.653 760 HB3 ASP 101 2HB ASP 101 5.394 8.937 -1.952 761 H ILE 102 H ILE 102 6.977 7.516 -1.258 762 HA ILE 102 HA ILE 102 7.100 6.979 1.457 763 HB ILE 102 HB ILE 102 7.880 5.180 -0.882 764 HG12 ILE 102 1HG1 ILE 102 5.217 5.459 0.605 765 HG13 ILE 102 2HG1 ILE 102 5.560 6.070 -1.010 766 HG21 ILE 102 1HG2 ILE 102 8.774 4.231 1.211 767 HG22 ILE 102 2HG2 ILE 102 7.450 3.246 0.594 768 HG23 ILE 102 3HG2 ILE 102 7.176 4.335 1.955 769 HD11 ILE 102 3HD1 ILE 102 5.864 3.765 -1.806 770 HD12 ILE 102 1HD1 ILE 102 4.265 4.047 -1.118 771 HD13 ILE 102 2HD1 ILE 102 5.476 3.170 -0.188 772 H ARG 103 H ARG 103 9.766 7.062 -0.884 773 HA ARG 103 HA ARG 103 11.797 6.173 0.920 774 HB2 ARG 103 1HB ARG 103 13.479 6.699 -0.655 775 HB3 ARG 103 2HB ARG 103 12.090 6.146 -1.564 776 HG2 ARG 103 1HG ARG 103 12.906 7.894 -2.847 777 HG3 ARG 103 2HG ARG 103 11.578 8.634 -1.962 778 HD2 ARG 103 1HD ARG 103 13.558 10.088 -2.076 779 HD3 ARG 103 2HD ARG 103 13.135 9.693 -0.421 780 HE ARG 103 HE ARG 103 15.198 8.075 -1.732 781 HH11 ARG 103 1HH1 ARG 103 14.434 10.537 0.660 782 HH12 ARG 103 2HH1 ARG 103 16.019 10.511 1.359 783 HH21 ARG 103 1HH2 ARG 103 17.261 8.057 -0.794 784 HH22 ARG 103 2HH2 ARG 103 17.615 9.115 0.535 785 H ALA 104 H ALA 104 10.347 9.265 0.424 786 HA ALA 104 HA ALA 104 12.308 10.834 1.851 787 HB1 ALA 104 3HB ALA 104 9.471 11.539 1.023 788 HB2 ALA 104 1HB ALA 104 10.929 11.836 0.070 789 HB3 ALA 104 2HB ALA 104 10.698 12.666 1.607 790 H LYS 105 H LYS 105 8.910 9.807 2.537 791 HA LYS 105 HA LYS 105 8.625 10.594 5.126 792 HB2 LYS 105 1HB LYS 105 6.793 9.782 3.737 793 HB3 LYS 105 2HB LYS 105 7.509 8.182 3.640 794 HG2 LYS 105 1HG LYS 105 5.607 8.151 5.155 795 HG3 LYS 105 2HG LYS 105 7.093 7.833 6.049 796 HD2 LYS 105 1HD LYS 105 5.660 9.315 7.342 797 HD3 LYS 105 2HD LYS 105 7.097 10.202 6.834 798 HE2 LYS 105 1HE LYS 105 5.812 11.232 4.999 799 HE3 LYS 105 2HE LYS 105 4.369 10.346 5.506 800 HZ1 LYS 105 3HZ LYS 105 5.833 12.399 7.076 801 HZ2 LYS 105 1HZ LYS 105 4.511 11.509 7.650 802 HZ3 LYS 105 2HZ LYS 105 4.314 12.576 6.355 803 H LEU 106 H LEU 106 9.647 7.337 4.068 804 HA LEU 106 HA LEU 106 10.151 6.286 6.608 805 HB2 LEU 106 1HB LEU 106 11.026 5.477 3.836 806 HB3 LEU 106 2HB LEU 106 11.719 4.646 5.216 807 HG LEU 106 HG LEU 106 9.510 3.835 5.916 808 HD11 LEU 106 1HD1 LEU 106 7.487 4.192 4.571 809 HD12 LEU 106 2HD1 LEU 106 8.369 5.312 3.531 810 HD13 LEU 106 3HD1 LEU 106 8.099 5.710 5.228 811 HD21 LEU 106 3HD2 LEU 106 9.031 2.315 4.045 812 HD22 LEU 106 1HD2 LEU 106 10.767 2.486 4.293 813 HD23 LEU 106 2HD2 LEU 106 9.983 3.332 2.957 814 H HIS 107 H HIS 107 12.150 8.251 4.561 815 HA HIS 107 HA HIS 107 14.630 7.979 6.001 816 HB2 HIS 107 1HB HIS 107 14.376 8.976 3.658 817 HB3 HIS 107 2HB HIS 107 13.752 10.436 4.412 818 HD1 HIS 107 HD1 HIS 107 16.901 8.552 3.740 819 HD2 HIS 107 HD2 HIS 107 15.743 11.992 5.775 820 HE1 HIS 107 HE1 HIS 107 19.029 9.787 4.251 821 HE2 HIS 107 HE2 HIS 107 18.286 11.932 5.335 822 H ALA 108 H ALA 108 11.791 10.012 6.299 823 HA ALA 108 HA ALA 108 10.720 10.858 8.098 824 HB1 ALA 108 3HB ALA 108 13.009 9.819 9.787 825 HB2 ALA 108 1HB ALA 108 11.550 8.920 9.368 826 HB3 ALA 108 2HB ALA 108 11.437 10.361 10.383 827 H HIS 109 H HIS 109 13.516 12.011 6.923 828 HA HIS 109 HA HIS 109 13.204 14.610 8.265 829 HB2 HIS 109 1HB HIS 109 15.901 13.342 7.554 830 HB3 HIS 109 2HB HIS 109 15.652 14.946 8.243 831 HD1 HIS 109 HD1 HIS 109 15.339 15.090 10.794 832 HD2 HIS 109 HD2 HIS 109 15.567 11.183 9.398 833 HE1 HIS 109 HE1 HIS 109 15.581 13.661 12.836 834 HE2 HIS 109 HE2 HIS 109 15.575 11.296 11.978 835 HA PRO 110 HA PRO 110 12.919 15.739 3.839 836 HB2 PRO 110 1HB PRO 110 13.315 18.519 4.906 837 HB3 PRO 110 2HB PRO 110 12.033 17.886 3.862 838 HG2 PRO 110 1HG PRO 110 11.539 18.422 6.441 839 HG3 PRO 110 2HG PRO 110 10.829 16.989 5.667 840 HD2 PRO 110 1HD PRO 110 13.228 17.165 7.495 841 HD3 PRO 110 2HD PRO 110 11.893 15.988 7.498 842 H GLY 111 H GLY 111 14.957 14.708 3.456 843 HA2 GLY 111 1HA GLY 111 17.367 16.456 3.557 844 HA3 GLY 111 2HA GLY 111 17.392 14.751 3.988 845 H GLU 112 H GLU 112 15.918 16.537 1.330 846 HA GLU 112 HA GLU 112 16.796 14.709 -0.709 847 HB2 GLU 112 1HB GLU 112 15.638 17.529 -0.926 848 HB3 GLU 112 2HB GLU 112 15.866 16.434 -2.279 849 HG2 GLU 112 1HG GLU 112 13.537 16.452 -1.677 850 HG3 GLU 112 2HG GLU 112 14.213 14.874 -1.286 851 HA PRO 113 HA PRO 113 20.915 16.415 -1.511 852 HB2 PRO 113 1HB PRO 113 20.948 16.463 -4.324 853 HB3 PRO 113 2HB PRO 113 21.347 15.065 -3.318 854 HG2 PRO 113 1HG PRO 113 18.752 15.742 -4.687 855 HG3 PRO 113 2HG PRO 113 19.559 14.166 -4.522 856 HD2 PRO 113 1HD PRO 113 17.453 14.817 -2.981 857 HD3 PRO 113 2HD PRO 113 18.802 13.875 -2.310 858 H VAL 114 H VAL 114 20.485 18.412 -0.625 859 HA VAL 114 HA VAL 114 19.304 20.594 -2.089 860 HB VAL 114 HB VAL 114 18.952 20.492 0.316 861 HG11 VAL 114 1HG1 VAL 114 21.963 20.737 0.676 862 HG12 VAL 114 2HG1 VAL 114 20.983 19.309 1.016 863 HG13 VAL 114 3HG1 VAL 114 20.768 20.772 1.977 864 HG21 VAL 114 3HG2 VAL 114 20.744 22.876 -0.331 865 HG22 VAL 114 1HG2 VAL 114 19.583 22.787 0.997 866 HG23 VAL 114 2HG2 VAL 114 19.016 22.765 -0.673 867 H ASP 115 H ASP 115 20.358 22.367 -2.920 868 HA ASP 115 HA ASP 115 23.184 21.980 -3.663 869 HB2 ASP 115 1HB ASP 115 20.966 23.678 -4.896 870 HB3 ASP 115 2HB ASP 115 22.613 23.588 -5.510 871 H LEU 116 H LEU 116 22.730 22.866 -1.062 872 HA LEU 116 HA LEU 116 22.943 25.657 -0.679 873 HB2 LEU 116 1HB LEU 116 23.878 25.116 1.561 874 HB3 LEU 116 2HB LEU 116 22.403 24.250 1.198 875 HG LEU 116 HG LEU 116 24.012 22.247 0.578 876 HD11 LEU 116 1HD1 LEU 116 25.881 23.776 2.411 877 HD12 LEU 116 2HD1 LEU 116 26.149 23.441 0.702 878 HD13 LEU 116 3HD1 LEU 116 26.093 22.112 1.853 879 HD21 LEU 116 3HD2 LEU 116 23.610 23.049 3.484 880 HD22 LEU 116 1HD2 LEU 116 23.932 21.417 2.893 881 HD23 LEU 116 2HD2 LEU 116 22.424 22.224 2.470 882 H GLU 117 H GLU 117 25.287 23.164 -1.415 883 HA GLU 117 HA GLU 117 27.226 25.227 -2.173 884 HB2 GLU 117 1HB GLU 117 28.172 23.807 -0.417 885 HB3 GLU 117 2HB GLU 117 27.746 22.353 -1.311 886 HG2 GLU 117 1HG GLU 117 30.168 22.945 -1.436 887 HG3 GLU 117 2HG GLU 117 29.383 22.797 -3.005 888 H ARG 118 H ARG 118 25.948 25.442 -4.071 889 HA ARG 118 HA ARG 118 27.101 23.712 -6.195 890 HB2 ARG 118 1HB ARG 118 24.367 23.832 -5.681 891 HB3 ARG 118 2HB ARG 118 24.529 25.110 -6.868 892 HG2 ARG 118 1HG ARG 118 25.460 22.251 -7.310 893 HG3 ARG 118 2HG ARG 118 23.876 22.859 -7.790 894 HD2 ARG 118 1HD ARG 118 26.549 23.876 -8.832 895 HD3 ARG 118 2HD ARG 118 25.456 22.780 -9.689 896 HE ARG 118 HE ARG 118 25.050 25.649 -9.161 897 HH11 ARG 118 1HH1 ARG 118 23.787 22.719 -10.642 898 HH12 ARG 118 2HH1 ARG 118 22.677 23.573 -11.666 899 HH21 ARG 118 1HH2 ARG 118 23.580 26.749 -10.501 900 HH22 ARG 118 2HH2 ARG 118 22.551 25.854 -11.574 901 H ILE 119 H ILE 119 27.788 26.283 -4.700 902 HA ILE 119 HA ILE 119 27.557 28.320 -6.840 903 HB ILE 119 HB ILE 119 27.979 28.782 -3.852 904 HG12 ILE 119 1HG1 ILE 119 25.732 27.820 -4.208 905 HG13 ILE 119 2HG1 ILE 119 25.592 29.518 -3.764 906 HG21 ILE 119 1HG2 ILE 119 27.431 31.147 -4.359 907 HG22 ILE 119 2HG2 ILE 119 27.328 30.749 -6.076 908 HG23 ILE 119 3HG2 ILE 119 28.869 30.604 -5.228 909 HD11 ILE 119 3HD1 ILE 119 25.186 30.075 -6.132 910 HD12 ILE 119 1HD1 ILE 119 24.001 28.945 -5.481 911 HD13 ILE 119 2HD1 ILE 119 25.282 28.359 -6.542 912 H ILE 120 H ILE 120 29.738 27.517 -4.077 913 HA ILE 120 HA ILE 120 32.035 28.636 -5.517 914 HB ILE 120 HB ILE 120 31.928 27.503 -2.679 915 HG12 ILE 120 1HG1 ILE 120 31.715 30.417 -3.600 916 HG13 ILE 120 2HG1 ILE 120 30.403 29.461 -2.919 917 HG21 ILE 120 1HG2 ILE 120 34.042 29.243 -4.025 918 HG22 ILE 120 2HG2 ILE 120 34.213 27.535 -3.613 919 HG23 ILE 120 3HG2 ILE 120 34.055 28.735 -2.333 920 HD11 ILE 120 3HD1 ILE 120 31.298 31.008 -1.298 921 HD12 ILE 120 1HD1 ILE 120 32.911 30.321 -1.473 922 HD13 ILE 120 2HD1 ILE 120 31.606 29.351 -0.784 923 H ARG 121 H ARG 121 31.735 26.888 -7.127 924 HA ARG 121 HA ARG 121 32.924 24.289 -6.346 925 HB2 ARG 121 1HB ARG 121 31.141 25.042 -8.703 926 HB3 ARG 121 2HB ARG 121 31.933 23.479 -8.544 927 HG2 ARG 121 1HG ARG 121 29.855 24.623 -6.639 928 HG3 ARG 121 2HG ARG 121 29.586 23.354 -7.839 929 HD2 ARG 121 1HD ARG 121 31.343 21.974 -6.633 930 HD3 ARG 121 2HD ARG 121 31.348 23.206 -5.370 931 HE ARG 121 HE ARG 121 28.907 22.669 -5.084 932 HH11 ARG 121 1HH1 ARG 121 31.100 20.250 -6.375 933 HH12 ARG 121 2HH1 ARG 121 30.200 18.908 -5.747 934 HH21 ARG 121 1HH2 ARG 121 27.733 20.890 -4.251 935 HH22 ARG 121 2HH2 ARG 121 28.290 19.273 -4.538 936 H HIS 122 H HIS 122 35.017 25.088 -6.327 937 HA HIS 122 HA HIS 122 36.376 25.182 -8.901 938 HB2 HIS 122 1HB HIS 122 36.334 27.557 -7.002 939 HB3 HIS 122 2HB HIS 122 37.724 27.273 -8.037 940 HD1 HIS 122 HD1 HIS 122 34.781 29.216 -8.007 941 HD2 HIS 122 HD2 HIS 122 36.715 26.969 -10.917 942 HE1 HIS 122 HE1 HIS 122 33.974 30.117 -10.206 943 HE2 HIS 122 HE2 HIS 122 35.310 28.878 -11.934 944 H GLU 123 H GLU 123 38.869 25.560 -8.380 945 HA GLU 123 HA GLU 123 39.707 23.950 -6.057 946 HB2 GLU 123 1HB GLU 123 41.032 22.451 -7.554 947 HB3 GLU 123 2HB GLU 123 39.300 22.330 -7.859 948 HG2 GLU 123 1HG GLU 123 39.672 23.996 -9.784 949 HG3 GLU 123 2HG GLU 123 41.396 23.714 -9.559 950 H GLY 124 H GLY 124 41.909 24.232 -5.489 951 HA2 GLY 124 1HA GLY 124 44.035 25.130 -5.465 952 HA3 GLY 124 2HA GLY 124 43.746 25.824 -7.049 953 H SER 125 H SER 125 42.786 27.890 -7.204 954 HA SER 125 HA SER 125 42.248 29.469 -4.808 955 HB2 SER 125 1HB SER 125 44.507 30.195 -6.736 956 HB3 SER 125 2HB SER 125 43.873 31.267 -5.488 957 HG SER 125 HG SER 125 44.409 29.201 -4.133 Start of MODEL 8 1 H1 GLN 1 1H GLN 1 -10.738 12.927 -3.881 2 H2 GLN 1 2H GLN 1 -11.931 11.866 -3.342 3 H3 GLN 1 3H GLN 1 -12.162 13.532 -3.213 4 HA GLN 1 HA GLN 1 -13.429 12.531 -5.006 5 HB2 GLN 1 1HB GLN 1 -12.770 14.145 -6.793 6 HB3 GLN 1 2HB GLN 1 -12.889 14.890 -5.209 7 HG2 GLN 1 1HG GLN 1 -10.275 14.094 -6.526 8 HG3 GLN 1 2HG GLN 1 -10.979 15.705 -6.617 9 HE21 GLN 1 2HE2 GLN 1 -8.410 14.862 -5.514 10 HE22 GLN 1 1HE2 GLN 1 -8.384 15.384 -3.865 11 H GLY 2 H GLY 2 -13.501 10.730 -6.140 12 HA2 GLY 2 1HA GLY 2 -13.006 9.028 -7.574 13 HA3 GLY 2 2HA GLY 2 -11.662 9.988 -8.172 14 H HIS 3 H HIS 3 -9.979 8.620 -8.177 15 HA HIS 3 HA HIS 3 -9.385 6.950 -5.805 16 HB2 HIS 3 1HB HIS 3 -7.806 5.719 -7.303 17 HB3 HIS 3 2HB HIS 3 -9.469 5.650 -7.868 18 HD1 HIS 3 HD1 HIS 3 -6.109 6.340 -9.003 19 HD2 HIS 3 HD2 HIS 3 -9.917 7.544 -10.136 20 HE1 HIS 3 HE1 HIS 3 -5.874 7.211 -11.342 21 HE2 HIS 3 HE2 HIS 3 -8.138 8.150 -11.903 22 H MET 4 H MET 4 -9.021 9.245 -4.992 23 HA MET 4 HA MET 4 -6.668 10.705 -5.739 24 HB2 MET 4 1HB MET 4 -8.673 11.809 -4.784 25 HB3 MET 4 2HB MET 4 -8.460 10.926 -3.283 26 HG2 MET 4 1HG MET 4 -6.135 12.117 -3.183 27 HG3 MET 4 2HG MET 4 -6.836 13.215 -4.371 28 HE1 MET 4 3HE MET 4 -8.437 12.612 -0.066 29 HE2 MET 4 1HE MET 4 -6.948 11.884 -0.670 30 HE3 MET 4 2HE MET 4 -8.512 11.343 -1.288 31 H PHE 5 H PHE 5 -4.674 10.782 -4.725 32 HA PHE 5 HA PHE 5 -4.122 8.902 -2.517 33 HB2 PHE 5 1HB PHE 5 -2.733 8.576 -4.552 34 HB3 PHE 5 2HB PHE 5 -2.176 10.246 -4.448 35 HD1 PHE 5 HD1 PHE 5 -2.437 7.262 -2.174 36 HD2 PHE 5 HD2 PHE 5 -0.018 10.504 -3.534 37 HE1 PHE 5 HE1 PHE 5 -0.635 6.539 -0.672 38 HE2 PHE 5 HE2 PHE 5 1.783 9.770 -2.038 39 HZ PHE 5 HZ PHE 5 1.476 7.799 -0.604 40 H GLU 6 H GLU 6 -3.109 9.597 -0.697 41 HA GLU 6 HA GLU 6 -2.427 12.408 -0.241 42 HB2 GLU 6 1HB GLU 6 -3.746 12.460 1.868 43 HB3 GLU 6 2HB GLU 6 -4.800 12.184 0.482 44 HG2 GLU 6 1HG GLU 6 -4.800 9.747 1.003 45 HG3 GLU 6 2HG GLU 6 -3.817 10.070 2.428 46 HA PRO 7 HA PRO 7 1.006 10.453 1.975 47 HB2 PRO 7 1HB PRO 7 1.385 12.228 4.089 48 HB3 PRO 7 2HB PRO 7 1.997 12.473 2.450 49 HG2 PRO 7 1HG PRO 7 -0.503 13.575 3.721 50 HG3 PRO 7 2HG PRO 7 0.688 14.402 2.692 51 HD2 PRO 7 1HD PRO 7 -1.659 13.564 1.682 52 HD3 PRO 7 2HD PRO 7 -0.166 13.445 0.721 53 H GLY 8 H GLY 8 0.041 8.566 2.658 54 HA2 GLY 8 1HA GLY 8 0.088 7.404 4.890 55 HA3 GLY 8 2HA GLY 8 -1.226 8.474 5.345 56 H HIS 9 H HIS 9 -2.230 8.163 2.428 57 HA HIS 9 HA HIS 9 -3.462 5.514 2.530 58 HB2 HIS 9 1HB HIS 9 -4.874 6.603 4.147 59 HB3 HIS 9 2HB HIS 9 -4.968 8.074 3.192 60 HD1 HIS 9 HD1 HIS 9 -6.918 8.301 1.651 61 HD2 HIS 9 HD2 HIS 9 -6.464 4.402 3.031 62 HE1 HIS 9 HE1 HIS 9 -8.927 7.060 0.824 63 HE2 HIS 9 HE2 HIS 9 -8.753 4.788 1.888 64 H LEU 10 H LEU 10 -4.433 4.910 0.584 65 HA LEU 10 HA LEU 10 -4.637 6.836 -1.624 66 HB2 LEU 10 1HB LEU 10 -2.721 5.375 -2.079 67 HB3 LEU 10 2HB LEU 10 -3.657 3.945 -1.677 68 HG LEU 10 HG LEU 10 -5.048 4.251 -3.713 69 HD11 LEU 10 1HD1 LEU 10 -4.995 6.698 -3.914 70 HD12 LEU 10 2HD1 LEU 10 -4.483 5.936 -5.417 71 HD13 LEU 10 3HD1 LEU 10 -3.279 6.641 -4.340 72 HD21 LEU 10 3HD2 LEU 10 -3.368 3.675 -5.392 73 HD22 LEU 10 1HD2 LEU 10 -2.992 2.886 -3.863 74 HD23 LEU 10 2HD2 LEU 10 -2.079 4.313 -4.364 75 H HIS 11 H HIS 11 -6.612 6.829 -2.549 76 HA HIS 11 HA HIS 11 -8.652 4.864 -1.750 77 HB2 HIS 11 1HB HIS 11 -9.011 7.425 -1.639 78 HB3 HIS 11 2HB HIS 11 -9.033 7.418 -3.397 79 HD1 HIS 11 HD1 HIS 11 -11.396 8.177 -1.319 80 HD2 HIS 11 HD2 HIS 11 -11.116 4.716 -3.588 81 HE1 HIS 11 HE1 HIS 11 -13.745 7.343 -1.566 82 HE2 HIS 11 HE2 HIS 11 -13.565 5.320 -3.038 83 H LEU 12 H LEU 12 -9.491 3.435 -3.242 84 HA LEU 12 HA LEU 12 -8.672 3.654 -6.082 85 HB2 LEU 12 1HB LEU 12 -8.990 1.115 -4.435 86 HB3 LEU 12 2HB LEU 12 -8.771 1.146 -6.177 87 HG LEU 12 HG LEU 12 -6.728 2.029 -4.100 88 HD11 LEU 12 1HD1 LEU 12 -5.413 0.098 -4.885 89 HD12 LEU 12 2HD1 LEU 12 -6.718 -0.362 -5.980 90 HD13 LEU 12 3HD1 LEU 12 -6.968 -0.414 -4.234 91 HD21 LEU 12 3HD2 LEU 12 -5.168 2.337 -6.001 92 HD22 LEU 12 1HD2 LEU 12 -6.531 3.452 -6.090 93 HD23 LEU 12 2HD2 LEU 12 -6.485 2.028 -7.135 94 H VAL 13 H VAL 13 -10.525 4.423 -6.961 95 HA VAL 13 HA VAL 13 -12.683 2.409 -7.190 96 HB VAL 13 HB VAL 13 -14.347 4.156 -7.731 97 HG11 VAL 13 1HG1 VAL 13 -14.725 5.127 -5.500 98 HG12 VAL 13 2HG1 VAL 13 -13.076 4.708 -5.028 99 HG13 VAL 13 3HG1 VAL 13 -14.241 3.433 -5.388 100 HG21 VAL 13 3HG2 VAL 13 -12.196 6.198 -7.040 101 HG22 VAL 13 1HG2 VAL 13 -13.886 6.572 -7.373 102 HG23 VAL 13 2HG2 VAL 13 -12.868 5.895 -8.644 103 H SER 14 H SER 14 -13.773 2.792 -9.577 104 HA SER 14 HA SER 14 -11.500 3.223 -11.392 105 HB2 SER 14 1HB SER 14 -12.477 0.939 -11.436 106 HB3 SER 14 2HB SER 14 -14.061 1.621 -11.801 107 HG SER 14 HG SER 14 -13.476 1.833 -13.804 108 H LEU 15 H LEU 15 -11.762 4.799 -12.960 109 HA LEU 15 HA LEU 15 -13.808 6.768 -12.701 110 HB2 LEU 15 1HB LEU 15 -11.846 6.334 -14.973 111 HB3 LEU 15 2HB LEU 15 -12.781 7.793 -14.703 112 HG LEU 15 HG LEU 15 -10.654 6.747 -12.788 113 HD11 LEU 15 1HD1 LEU 15 -10.421 9.025 -14.777 114 HD12 LEU 15 2HD1 LEU 15 -9.627 7.454 -14.911 115 HD13 LEU 15 3HD1 LEU 15 -9.201 8.543 -13.593 116 HD21 LEU 15 3HD2 LEU 15 -12.383 8.095 -11.653 117 HD22 LEU 15 1HD2 LEU 15 -12.126 9.411 -12.805 118 HD23 LEU 15 2HD2 LEU 15 -10.843 8.948 -11.686 119 HA PRO 16 HA PRO 16 -16.873 4.501 -15.116 120 HB2 PRO 16 1HB PRO 16 -18.754 6.485 -15.402 121 HB3 PRO 16 2HB PRO 16 -18.514 5.592 -13.894 122 HG2 PRO 16 1HG PRO 16 -17.461 8.313 -14.669 123 HG3 PRO 16 2HG PRO 16 -18.200 7.793 -13.137 124 HD2 PRO 16 1HD PRO 16 -15.506 8.004 -13.429 125 HD3 PRO 16 2HD PRO 16 -16.230 6.755 -12.397 126 H GLY 17 H GLY 17 -17.518 4.289 -17.251 127 HA2 GLY 17 1HA GLY 17 -17.586 5.932 -19.399 128 HA3 GLY 17 2HA GLY 17 -15.856 5.622 -19.229 129 H LEU 18 H LEU 18 -15.161 3.367 -19.162 130 HA LEU 18 HA LEU 18 -17.006 1.359 -20.290 131 HB2 LEU 18 1HB LEU 18 -15.630 2.561 -22.130 132 HB3 LEU 18 2HB LEU 18 -14.212 1.797 -21.433 133 HG LEU 18 HG LEU 18 -15.235 -0.455 -21.926 134 HD11 LEU 18 1HD1 LEU 18 -17.164 -0.608 -23.445 135 HD12 LEU 18 2HD1 LEU 18 -17.375 1.145 -23.370 136 HD13 LEU 18 3HD1 LEU 18 -17.598 0.160 -21.920 137 HD21 LEU 18 3HD2 LEU 18 -13.610 0.497 -23.490 138 HD22 LEU 18 1HD2 LEU 18 -14.900 1.353 -24.347 139 HD23 LEU 18 2HD2 LEU 18 -14.844 -0.414 -24.359 140 H ASP 19 H ASP 19 -15.515 2.050 -17.717 141 HA ASP 19 HA ASP 19 -14.059 -0.504 -17.249 142 HB2 ASP 19 1HB ASP 19 -13.381 2.200 -15.993 143 HB3 ASP 19 2HB ASP 19 -12.436 0.715 -15.888 144 H GLN 20 H GLN 20 -16.842 -0.040 -16.802 145 HA GLN 20 HA GLN 20 -17.224 1.095 -14.138 146 HB2 GLN 20 1HB GLN 20 -18.572 1.745 -16.211 147 HB3 GLN 20 2HB GLN 20 -19.344 0.171 -16.113 148 HG2 GLN 20 1HG GLN 20 -20.825 1.788 -15.136 149 HG3 GLN 20 2HG GLN 20 -20.195 0.784 -13.835 150 HE21 GLN 20 2HE2 GLN 20 -21.360 3.481 -13.755 151 HE22 GLN 20 1HE2 GLN 20 -20.178 4.491 -13.001 152 H GLN 21 H GLN 21 -15.925 -1.454 -14.064 153 HA GLN 21 HA GLN 21 -17.837 -3.217 -12.745 154 HB2 GLN 21 1HB GLN 21 -15.796 -4.202 -13.744 155 HB3 GLN 21 2HB GLN 21 -14.792 -3.206 -12.705 156 HG2 GLN 21 1HG GLN 21 -15.752 -4.393 -10.715 157 HG3 GLN 21 2HG GLN 21 -16.630 -5.454 -11.819 158 HE21 GLN 21 2HE2 GLN 21 -15.559 -7.291 -11.004 159 HE22 GLN 21 1HE2 GLN 21 -13.900 -7.623 -11.355 160 H ASP 22 H ASP 22 -18.173 -3.272 -10.545 161 HA ASP 22 HA ASP 22 -17.770 -0.781 -9.130 162 HB2 ASP 22 1HB ASP 22 -19.912 -2.199 -9.119 163 HB3 ASP 22 2HB ASP 22 -19.082 -3.319 -8.049 164 H ILE 23 H ILE 23 -15.465 -0.886 -9.022 165 HA ILE 23 HA ILE 23 -14.432 -2.609 -6.853 166 HB ILE 23 HB ILE 23 -12.199 -2.379 -7.691 167 HG12 ILE 23 1HG1 ILE 23 -12.172 -1.126 -10.205 168 HG13 ILE 23 2HG1 ILE 23 -13.223 -0.060 -9.280 169 HG21 ILE 23 1HG2 ILE 23 -12.392 -3.473 -9.905 170 HG22 ILE 23 2HG2 ILE 23 -14.088 -3.009 -9.970 171 HG23 ILE 23 3HG2 ILE 23 -13.527 -4.120 -8.725 172 HD11 ILE 23 3HD1 ILE 23 -10.920 0.686 -9.248 173 HD12 ILE 23 1HD1 ILE 23 -10.392 -0.842 -8.547 174 HD13 ILE 23 2HD1 ILE 23 -11.432 0.250 -7.621 175 H ASN 24 H ASN 24 -14.006 -1.735 -5.029 176 HA ASN 24 HA ASN 24 -13.169 1.045 -4.720 177 HB2 ASN 24 1HB ASN 24 -14.860 1.442 -2.884 178 HB3 ASN 24 2HB ASN 24 -15.564 1.338 -4.491 179 HD21 ASN 24 2HD2 ASN 24 -16.836 -0.497 -5.020 180 HD22 ASN 24 1HD2 ASN 24 -17.486 -1.520 -3.794 181 H ILE 25 H ILE 25 -11.492 1.049 -3.353 182 HA ILE 25 HA ILE 25 -11.016 -1.101 -1.439 183 HB ILE 25 HB ILE 25 -9.002 -0.572 -3.690 184 HG12 ILE 25 1HG1 ILE 25 -10.743 -3.067 -3.390 185 HG13 ILE 25 2HG1 ILE 25 -11.038 -1.788 -4.559 186 HG21 ILE 25 1HG2 ILE 25 -7.788 -2.550 -2.801 187 HG22 ILE 25 2HG2 ILE 25 -8.987 -2.704 -1.513 188 HG23 ILE 25 3HG2 ILE 25 -7.946 -1.282 -1.581 189 HD11 ILE 25 3HD1 ILE 25 -8.640 -3.604 -4.470 190 HD12 ILE 25 1HD1 ILE 25 -8.885 -2.290 -5.627 191 HD13 ILE 25 2HD1 ILE 25 -9.985 -3.666 -5.607 192 H HIS 26 H HIS 26 -9.509 -0.461 0.120 193 HA HIS 26 HA HIS 26 -8.529 2.332 0.088 194 HB2 HIS 26 1HB HIS 26 -8.912 0.456 2.484 195 HB3 HIS 26 2HB HIS 26 -8.481 2.160 2.546 196 HD1 HIS 26 HD1 HIS 26 -10.401 3.487 3.375 197 HD2 HIS 26 HD2 HIS 26 -11.674 0.271 1.083 198 HE1 HIS 26 HE1 HIS 26 -12.905 3.595 3.386 199 HE2 HIS 26 HE2 HIS 26 -13.646 1.534 2.155 200 H ILE 27 H ILE 27 -6.285 2.625 0.432 201 HA ILE 27 HA ILE 27 -4.645 0.272 1.197 202 HB ILE 27 HB ILE 27 -3.867 2.358 -0.907 203 HG12 ILE 27 1HG1 ILE 27 -4.344 -0.659 -1.169 204 HG13 ILE 27 2HG1 ILE 27 -5.348 0.617 -1.849 205 HG21 ILE 27 1HG2 ILE 27 -1.705 1.117 -1.118 206 HG22 ILE 27 2HG2 ILE 27 -2.167 0.096 0.245 207 HG23 ILE 27 3HG2 ILE 27 -1.909 1.821 0.486 208 HD11 ILE 27 3HD1 ILE 27 -3.972 -0.451 -3.537 209 HD12 ILE 27 1HD1 ILE 27 -2.509 -0.012 -2.659 210 HD13 ILE 27 2HD1 ILE 27 -3.534 1.245 -3.355 211 H ARG 28 H ARG 28 -4.147 0.791 3.249 212 HA ARG 28 HA ARG 28 -3.016 3.440 3.900 213 HB2 ARG 28 1HB ARG 28 -3.636 1.041 5.694 214 HB3 ARG 28 2HB ARG 28 -2.957 2.567 6.252 215 HG2 ARG 28 1HG ARG 28 -5.012 3.750 5.598 216 HG3 ARG 28 2HG ARG 28 -5.703 2.242 4.990 217 HD2 ARG 28 1HD ARG 28 -5.622 1.283 7.267 218 HD3 ARG 28 2HD ARG 28 -4.912 2.784 7.878 219 HE ARG 28 HE ARG 28 -7.352 3.337 6.566 220 HH11 ARG 28 1HH1 ARG 28 -6.166 1.982 9.590 221 HH12 ARG 28 2HH1 ARG 28 -7.635 2.320 10.443 222 HH21 ARG 28 1HH2 ARG 28 -9.259 3.767 7.701 223 HH22 ARG 28 2HH2 ARG 28 -9.395 3.322 9.373 224 H TYR 29 H TYR 29 -0.805 3.662 4.157 225 HA TYR 29 HA TYR 29 0.782 1.192 4.599 226 HB2 TYR 29 1HB TYR 29 2.736 2.313 3.555 227 HB3 TYR 29 2HB TYR 29 1.419 2.085 2.416 228 HD1 TYR 29 HD2 TYR 29 -0.002 4.103 1.759 229 HD2 TYR 29 HD1 TYR 29 3.641 4.511 3.960 230 HE1 TYR 29 HE2 TYR 29 0.106 6.475 1.155 231 HE2 TYR 29 HE1 TYR 29 3.742 6.884 3.352 232 HH TYR 29 HH TYR 29 2.856 8.373 1.571 233 H GLU 30 H GLU 30 1.439 1.108 6.606 234 HA GLU 30 HA GLU 30 1.837 3.587 8.192 235 HB2 GLU 30 1HB GLU 30 0.679 0.916 9.138 236 HB3 GLU 30 2HB GLU 30 0.879 2.368 10.121 237 HG2 GLU 30 1HG GLU 30 -0.831 3.540 8.897 238 HG3 GLU 30 2HG GLU 30 -0.903 2.287 7.660 239 H VAL 31 H VAL 31 3.946 3.737 8.561 240 HA VAL 31 HA VAL 31 5.682 1.396 8.526 241 HB VAL 31 HB VAL 31 6.325 4.382 8.623 242 HG11 VAL 31 1HG1 VAL 31 8.677 3.724 8.136 243 HG12 VAL 31 2HG1 VAL 31 8.239 2.028 8.359 244 HG13 VAL 31 3HG1 VAL 31 8.144 3.150 9.715 245 HG21 VAL 31 3HG2 VAL 31 6.570 2.361 6.359 246 HG22 VAL 31 1HG2 VAL 31 7.020 4.067 6.280 247 HG23 VAL 31 2HG2 VAL 31 5.332 3.608 6.492 248 H ARG 32 H ARG 32 6.150 0.368 10.318 249 HA ARG 32 HA ARG 32 6.349 1.809 12.907 250 HB2 ARG 32 1HB ARG 32 4.553 0.014 12.782 251 HB3 ARG 32 2HB ARG 32 5.817 -1.162 12.449 252 HG2 ARG 32 1HG ARG 32 6.848 -0.324 14.720 253 HG3 ARG 32 2HG ARG 32 5.229 0.311 15.016 254 HD2 ARG 32 1HD ARG 32 4.336 -2.016 14.626 255 HD3 ARG 32 2HD ARG 32 6.015 -2.580 14.549 256 HE ARG 32 HE ARG 32 5.030 -1.143 16.938 257 HH11 ARG 32 1HH1 ARG 32 6.337 -4.104 15.572 258 HH12 ARG 32 2HH1 ARG 32 6.592 -4.838 17.119 259 HH21 ARG 32 1HH2 ARG 32 5.369 -2.131 18.955 260 HH22 ARG 32 2HH2 ARG 32 6.062 -3.723 19.027 261 H GLN 33 H GLN 33 8.145 1.173 14.222 262 HA GLN 33 HA GLN 33 10.417 -0.089 12.792 263 HB2 GLN 33 1HB GLN 33 10.650 1.737 15.218 264 HB3 GLN 33 2HB GLN 33 11.916 1.289 14.092 265 HG2 GLN 33 1HG GLN 33 9.579 3.111 13.447 266 HG3 GLN 33 2HG GLN 33 11.181 3.667 13.917 267 HE21 GLN 33 2HE2 GLN 33 9.245 2.358 11.364 268 HE22 GLN 33 1HE2 GLN 33 10.414 2.548 10.111 269 H ASN 34 H ASN 34 10.458 -2.196 13.489 270 HA ASN 34 HA ASN 34 10.086 -2.773 16.375 271 HB2 ASN 34 1HB ASN 34 9.715 -5.113 15.755 272 HB3 ASN 34 2HB ASN 34 8.625 -4.080 14.832 273 HD21 ASN 34 2HD2 ASN 34 10.820 -6.564 14.674 274 HD22 ASN 34 1HD2 ASN 34 11.039 -6.640 12.973 275 H ALA 35 H ALA 35 11.810 -3.633 17.563 276 HA ALA 35 HA ALA 35 14.445 -2.993 16.672 277 HB1 ALA 35 3HB ALA 35 13.588 -4.583 19.114 278 HB2 ALA 35 1HB ALA 35 13.748 -2.825 19.033 279 HB3 ALA 35 2HB ALA 35 15.175 -3.851 18.859 280 H GLU 36 H GLU 36 12.570 -5.840 16.383 281 HA GLU 36 HA GLU 36 14.583 -7.839 16.294 282 HB2 GLU 36 1HB GLU 36 12.291 -8.370 16.851 283 HB3 GLU 36 2HB GLU 36 11.705 -7.741 15.335 284 HG2 GLU 36 1HG GLU 36 13.489 -10.168 15.458 285 HG3 GLU 36 2HG GLU 36 11.747 -10.277 15.668 286 H SER 37 H SER 37 12.965 -5.930 13.730 287 HA SER 37 HA SER 37 14.773 -7.131 11.689 288 HB2 SER 37 1HB SER 37 12.368 -7.703 11.377 289 HB3 SER 37 2HB SER 37 11.977 -5.989 11.286 290 HG SER 37 HG SER 37 12.861 -7.636 9.357 291 H GLY 38 H GLY 38 13.251 -4.152 12.841 292 HA2 GLY 38 1HA GLY 38 14.531 -2.060 12.660 293 HA3 GLY 38 2HA GLY 38 14.898 -2.515 10.999 294 H ALA 39 H ALA 39 13.939 -0.674 10.142 295 HA ALA 39 HA ALA 39 11.218 0.107 10.566 296 HB1 ALA 39 3HB ALA 39 13.079 0.758 8.240 297 HB2 ALA 39 1HB ALA 39 12.946 1.677 9.741 298 HB3 ALA 39 2HB ALA 39 11.579 1.599 8.632 299 H TYR 40 H TYR 40 9.408 -0.676 9.673 300 HA TYR 40 HA TYR 40 9.437 -2.040 7.063 301 HB2 TYR 40 1HB TYR 40 8.616 -4.123 7.743 302 HB3 TYR 40 2HB TYR 40 9.642 -3.752 9.119 303 HD1 TYR 40 HD1 TYR 40 8.548 -2.908 11.286 304 HD2 TYR 40 HD2 TYR 40 6.228 -4.413 8.018 305 HE1 TYR 40 HE1 TYR 40 6.628 -3.203 12.779 306 HE2 TYR 40 HE2 TYR 40 4.309 -4.693 9.513 307 HH TYR 40 HH TYR 40 3.763 -4.898 11.796 308 H VAL 41 H VAL 41 7.140 -2.424 6.293 309 HA VAL 41 HA VAL 41 5.304 -0.311 7.293 310 HB VAL 41 HB VAL 41 5.201 -1.219 4.398 311 HG11 VAL 41 1HG1 VAL 41 4.513 1.416 5.741 312 HG12 VAL 41 2HG1 VAL 41 3.369 0.154 5.284 313 HG13 VAL 41 3HG1 VAL 41 4.262 1.023 4.036 314 HG21 VAL 41 3HG2 VAL 41 7.550 -0.627 4.672 315 HG22 VAL 41 1HG2 VAL 41 7.101 0.926 5.379 316 HG23 VAL 41 2HG2 VAL 41 6.717 0.582 3.688 317 H HIS 42 H HIS 42 3.407 -1.135 8.010 318 HA HIS 42 HA HIS 42 2.312 -3.652 7.016 319 HB2 HIS 42 1HB HIS 42 1.964 -3.222 9.384 320 HB3 HIS 42 2HB HIS 42 1.319 -1.617 9.064 321 HD1 HIS 42 HD1 HIS 42 0.368 -5.270 8.639 322 HD2 HIS 42 HD2 HIS 42 -1.402 -1.520 8.692 323 HE1 HIS 42 HE1 HIS 42 -2.099 -5.691 8.602 324 HE2 HIS 42 HE2 HIS 42 -3.156 -3.413 8.681 325 H PHE 43 H PHE 43 1.400 -3.549 5.004 326 HA PHE 43 HA PHE 43 -0.079 -1.146 4.145 327 HB2 PHE 43 1HB PHE 43 0.612 -3.679 2.593 328 HB3 PHE 43 2HB PHE 43 -0.159 -2.246 1.924 329 HD1 PHE 43 HD1 PHE 43 1.153 -0.097 1.745 330 HD2 PHE 43 HD2 PHE 43 3.024 -3.782 2.855 331 HE1 PHE 43 HE1 PHE 43 3.361 0.840 1.191 332 HE2 PHE 43 HE2 PHE 43 5.214 -2.828 2.309 333 HZ PHE 43 HZ PHE 43 5.394 -0.523 1.473 334 H ASP 44 H ASP 44 -2.245 -1.105 4.323 335 HA ASP 44 HA ASP 44 -3.693 -3.563 5.157 336 HB2 ASP 44 1HB ASP 44 -3.146 -1.959 7.021 337 HB3 ASP 44 2HB ASP 44 -4.052 -0.707 6.186 338 H MET 45 H MET 45 -5.175 -4.065 3.621 339 HA MET 45 HA MET 45 -6.514 -1.910 2.082 340 HB2 MET 45 1HB MET 45 -5.770 -4.730 1.168 341 HB3 MET 45 2HB MET 45 -6.687 -3.572 0.212 342 HG2 MET 45 1HG MET 45 -4.774 -2.117 0.021 343 HG3 MET 45 2HG MET 45 -3.851 -3.100 1.157 344 HE1 MET 45 3HE MET 45 -5.451 -3.008 -2.500 345 HE2 MET 45 1HE MET 45 -6.202 -4.434 -1.779 346 HE3 MET 45 2HE MET 45 -5.021 -4.624 -3.077 347 H ASP 46 H ASP 46 -8.724 -2.014 1.853 348 HA ASP 46 HA ASP 46 -10.213 -4.484 2.284 349 HB2 ASP 46 1HB ASP 46 -11.711 -3.669 4.006 350 HB3 ASP 46 2HB ASP 46 -10.068 -3.444 4.596 351 H GLY 47 H GLY 47 -12.521 -4.202 1.603 352 HA2 GLY 47 1HA GLY 47 -13.755 -1.893 0.712 353 HA3 GLY 47 2HA GLY 47 -12.819 -2.459 -0.670 354 H GLU 48 H GLU 48 -15.011 -2.726 -1.727 355 HA GLU 48 HA GLU 48 -15.707 -5.538 -1.389 356 HB2 GLU 48 1HB GLU 48 -18.145 -5.102 -1.589 357 HB3 GLU 48 2HB GLU 48 -17.461 -4.560 -0.060 358 HG2 GLU 48 1HG GLU 48 -17.513 -2.231 -0.815 359 HG3 GLU 48 2HG GLU 48 -18.083 -2.729 -2.404 360 H ILE 49 H ILE 49 -14.945 -6.138 -3.262 361 HA ILE 49 HA ILE 49 -15.674 -4.804 -5.759 362 HB ILE 49 HB ILE 49 -14.011 -7.343 -5.447 363 HG12 ILE 49 1HG1 ILE 49 -13.025 -4.450 -5.643 364 HG13 ILE 49 2HG1 ILE 49 -13.035 -5.404 -4.164 365 HG21 ILE 49 1HG2 ILE 49 -13.107 -6.719 -7.679 366 HG22 ILE 49 2HG2 ILE 49 -14.245 -5.373 -7.748 367 HG23 ILE 49 3HG2 ILE 49 -14.840 -7.029 -7.726 368 HD11 ILE 49 3HD1 ILE 49 -11.413 -5.977 -6.644 369 HD12 ILE 49 1HD1 ILE 49 -11.446 -6.977 -5.188 370 HD13 ILE 49 2HD1 ILE 49 -10.825 -5.331 -5.113 371 H ASP 50 H ASP 50 -17.197 -5.344 -7.144 372 HA ASP 50 HA ASP 50 -19.034 -6.248 -8.070 373 HB2 ASP 50 1HB ASP 50 -17.821 -8.939 -7.282 374 HB3 ASP 50 2HB ASP 50 -19.143 -8.720 -8.421 375 H GLY 51 H GLY 51 -18.951 -5.692 -5.100 376 HA2 GLY 51 1HA GLY 51 -20.822 -5.594 -3.649 377 HA3 GLY 51 2HA GLY 51 -21.402 -7.130 -4.273 378 H LYS 52 H LYS 52 -18.395 -8.047 -3.979 379 HA LYS 52 HA LYS 52 -18.839 -9.345 -1.462 380 HB2 LYS 52 1HB LYS 52 -16.590 -9.576 -3.472 381 HB3 LYS 52 2HB LYS 52 -16.797 -10.641 -2.079 382 HG2 LYS 52 1HG LYS 52 -18.944 -11.440 -3.011 383 HG3 LYS 52 2HG LYS 52 -18.731 -10.376 -4.403 384 HD2 LYS 52 1HD LYS 52 -18.067 -12.546 -5.141 385 HD3 LYS 52 2HD LYS 52 -16.572 -11.648 -4.905 386 HE2 LYS 52 1HE LYS 52 -17.724 -13.622 -2.896 387 HE3 LYS 52 2HE LYS 52 -16.486 -14.026 -4.080 388 HZ1 LYS 52 3HZ LYS 52 -15.072 -12.301 -3.011 389 HZ2 LYS 52 1HZ LYS 52 -15.450 -13.604 -2.005 390 HZ3 LYS 52 2HZ LYS 52 -16.246 -12.133 -1.806 391 HA PRO 53 HA PRO 53 -16.152 -6.315 0.673 392 HB2 PRO 53 1HB PRO 53 -16.805 -6.980 3.234 393 HB3 PRO 53 2HB PRO 53 -17.871 -6.007 2.212 394 HG2 PRO 53 1HG PRO 53 -18.015 -8.957 2.819 395 HG3 PRO 53 2HG PRO 53 -19.323 -7.753 2.792 396 HD2 PRO 53 1HD PRO 53 -18.823 -9.451 0.696 397 HD3 PRO 53 2HD PRO 53 -19.522 -7.834 0.475 398 H PHE 54 H PHE 54 -14.106 -6.516 1.538 399 HA PHE 54 HA PHE 54 -13.082 -9.065 2.510 400 HB2 PHE 54 1HB PHE 54 -11.327 -9.324 0.877 401 HB3 PHE 54 2HB PHE 54 -12.814 -9.116 -0.035 402 HD1 PHE 54 HD1 PHE 54 -13.280 -6.846 -1.138 403 HD2 PHE 54 HD2 PHE 54 -9.479 -7.816 0.580 404 HE1 PHE 54 HE1 PHE 54 -12.226 -5.019 -2.404 405 HE2 PHE 54 HE2 PHE 54 -8.442 -5.986 -0.686 406 HZ PHE 54 HZ PHE 54 -9.810 -4.586 -2.183 407 H SER 55 H SER 55 -10.972 -8.856 3.486 408 HA SER 55 HA SER 55 -9.708 -6.222 3.602 409 HB2 SER 55 1HB SER 55 -11.167 -6.302 5.616 410 HB3 SER 55 2HB SER 55 -10.430 -7.825 6.098 411 HG SER 55 HG SER 55 -9.637 -5.497 6.820 412 H ASP 56 H ASP 56 -7.595 -6.517 3.201 413 HA ASP 56 HA ASP 56 -6.225 -9.062 3.745 414 HB2 ASP 56 1HB ASP 56 -7.211 -9.029 1.344 415 HB3 ASP 56 2HB ASP 56 -6.089 -7.724 0.992 416 H SER 57 H SER 57 -3.945 -8.782 3.968 417 HA SER 57 HA SER 57 -2.839 -6.084 3.779 418 HB2 SER 57 1HB SER 57 -2.009 -6.208 6.171 419 HB3 SER 57 2HB SER 57 -3.757 -6.044 6.026 420 HG SER 57 HG SER 57 -2.293 -8.412 6.586 421 H PHE 58 H PHE 58 -0.651 -6.008 3.534 422 HA PHE 58 HA PHE 58 0.971 -8.441 3.838 423 HB2 PHE 58 1HB PHE 58 2.120 -8.025 1.673 424 HB3 PHE 58 2HB PHE 58 0.425 -8.412 1.454 425 HD1 PHE 58 HD2 PHE 58 -1.220 -6.501 0.931 426 HD2 PHE 58 HD1 PHE 58 3.028 -5.982 0.754 427 HE1 PHE 58 HE2 PHE 58 -1.509 -4.514 -0.485 428 HE2 PHE 58 HE1 PHE 58 2.720 -3.988 -0.659 429 HZ PHE 58 HZ PHE 58 0.456 -3.262 -1.281 430 H GLU 59 H GLU 59 2.994 -8.027 4.607 431 HA GLU 59 HA GLU 59 3.653 -5.212 5.267 432 HB2 GLU 59 1HB GLU 59 4.257 -7.743 6.864 433 HB3 GLU 59 2HB GLU 59 4.916 -6.155 7.242 434 HG2 GLU 59 1HG GLU 59 3.100 -6.523 8.727 435 HG3 GLU 59 2HG GLU 59 2.568 -5.327 7.558 436 H LEU 60 H LEU 60 5.531 -4.446 4.485 437 HA LEU 60 HA LEU 60 7.611 -6.318 3.514 438 HB2 LEU 60 1HB LEU 60 6.599 -3.856 2.042 439 HB3 LEU 60 2HB LEU 60 8.002 -4.795 1.565 440 HG LEU 60 HG LEU 60 5.145 -5.864 1.608 441 HD11 LEU 60 1HD1 LEU 60 5.382 -4.164 -0.133 442 HD12 LEU 60 2HD1 LEU 60 5.236 -5.769 -0.847 443 HD13 LEU 60 3HD1 LEU 60 6.816 -4.984 -0.765 444 HD21 LEU 60 3HD2 LEU 60 6.796 -7.647 1.964 445 HD22 LEU 60 1HD2 LEU 60 7.694 -7.126 0.532 446 HD23 LEU 60 2HD2 LEU 60 6.066 -7.788 0.366 447 HA PRO 61 HA PRO 61 10.093 -3.435 6.065 448 HB2 PRO 61 1HB PRO 61 12.535 -4.594 5.544 449 HB3 PRO 61 2HB PRO 61 11.382 -5.267 6.704 450 HG2 PRO 61 1HG PRO 61 11.857 -6.046 3.825 451 HG3 PRO 61 2HG PRO 61 11.707 -7.094 5.256 452 HD2 PRO 61 1HD PRO 61 9.630 -6.703 3.577 453 HD3 PRO 61 2HD PRO 61 9.371 -6.868 5.331 454 H ARG 62 H ARG 62 11.791 -1.839 5.604 455 HA ARG 62 HA ARG 62 11.544 -0.251 3.411 456 HB2 ARG 62 1HB ARG 62 12.756 0.345 5.477 457 HB3 ARG 62 2HB ARG 62 14.091 -0.702 5.011 458 HG2 ARG 62 1HG ARG 62 14.537 0.748 3.058 459 HG3 ARG 62 2HG ARG 62 13.203 1.802 3.534 460 HD2 ARG 62 1HD ARG 62 15.279 2.784 4.268 461 HD3 ARG 62 2HD ARG 62 14.391 2.232 5.689 462 HE ARG 62 HE ARG 62 16.290 0.320 4.657 463 HH11 ARG 62 1HH1 ARG 62 15.902 3.012 6.868 464 HH12 ARG 62 2HH1 ARG 62 17.305 2.605 7.795 465 HH21 ARG 62 1HH2 ARG 62 18.146 -0.190 5.869 466 HH22 ARG 62 2HH2 ARG 62 18.590 0.805 7.221 467 H ASP 63 H ASP 63 13.653 -2.999 3.679 468 HA ASP 63 HA ASP 63 15.347 -2.610 1.446 469 HB2 ASP 63 1HB ASP 63 15.883 -4.125 3.325 470 HB3 ASP 63 2HB ASP 63 14.555 -5.188 2.870 471 H THR 64 H THR 64 12.105 -3.922 1.686 472 HA THR 64 HA THR 64 12.042 -4.550 -1.205 473 HB THR 64 HB THR 64 10.502 -6.490 -0.666 474 HG1 THR 64 HG1 THR 64 10.917 -7.222 1.661 475 HG21 THR 64 3HG2 THR 64 12.274 -8.070 0.046 476 HG22 THR 64 1HG2 THR 64 13.295 -6.712 0.535 477 HG23 THR 64 2HG2 THR 64 12.885 -6.946 -1.169 478 H ALA 65 H ALA 65 11.033 -2.443 0.916 479 HA ALA 65 HA ALA 65 8.224 -2.324 0.861 480 HB1 ALA 65 3HB ALA 65 9.591 -0.955 2.380 481 HB2 ALA 65 1HB ALA 65 8.454 0.048 1.470 482 HB3 ALA 65 2HB ALA 65 10.160 0.008 1.017 483 H PHE 66 H PHE 66 10.565 -1.344 -1.482 484 HA PHE 66 HA PHE 66 8.959 0.207 -3.207 485 HB2 PHE 66 1HB PHE 66 11.468 -1.361 -3.924 486 HB3 PHE 66 2HB PHE 66 10.817 0.027 -4.795 487 HD1 PHE 66 HD2 PHE 66 10.252 2.068 -2.967 488 HD2 PHE 66 HD1 PHE 66 13.406 -0.808 -2.701 489 HE1 PHE 66 HE2 PHE 66 11.515 3.584 -1.523 490 HE2 PHE 66 HE1 PHE 66 14.665 0.722 -1.242 491 HZ PHE 66 HZ PHE 66 13.716 2.922 -0.652 492 H ASN 67 H ASN 67 8.617 -3.063 -2.657 493 HA ASN 67 HA ASN 67 7.593 -3.738 -5.336 494 HB2 ASN 67 1HB ASN 67 7.903 -5.408 -2.796 495 HB3 ASN 67 2HB ASN 67 7.251 -6.023 -4.312 496 HD21 ASN 67 2HD2 ASN 67 10.138 -4.917 -2.682 497 HD22 ASN 67 1HD2 ASN 67 11.263 -5.572 -3.816 498 H PHE 68 H PHE 68 6.478 -1.988 -2.892 499 HA PHE 68 HA PHE 68 4.187 -3.107 -1.855 500 HB2 PHE 68 1HB PHE 68 3.553 -0.911 -1.120 501 HB3 PHE 68 2HB PHE 68 5.298 -1.027 -1.020 502 HD1 PHE 68 HD1 PHE 68 6.683 0.069 -2.974 503 HD2 PHE 68 HD2 PHE 68 2.544 0.886 -2.271 504 HE1 PHE 68 HE1 PHE 68 6.875 2.144 -4.277 505 HE2 PHE 68 HE2 PHE 68 2.748 2.961 -3.575 506 HZ PHE 68 HZ PHE 68 4.905 3.598 -4.574 507 H ALA 69 H ALA 69 4.464 -1.147 -4.862 508 HA ALA 69 HA ALA 69 1.627 -0.786 -5.091 509 HB1 ALA 69 3HB ALA 69 2.196 0.421 -7.158 510 HB2 ALA 69 1HB ALA 69 3.869 -0.135 -7.025 511 HB3 ALA 69 2HB ALA 69 3.196 0.946 -5.804 512 H SER 70 H SER 70 4.033 -2.951 -6.472 513 HA SER 70 HA SER 70 2.433 -3.871 -8.677 514 HB2 SER 70 1HB SER 70 4.254 -5.653 -8.819 515 HB3 SER 70 2HB SER 70 4.848 -3.992 -8.886 516 HG SER 70 HG SER 70 6.032 -5.376 -7.446 517 H ASP 71 H ASP 71 3.276 -5.039 -5.429 518 HA ASP 71 HA ASP 71 1.703 -7.383 -5.439 519 HB2 ASP 71 1HB ASP 71 3.547 -6.719 -3.761 520 HB3 ASP 71 2HB ASP 71 2.340 -5.716 -2.961 521 H ALA 72 H ALA 72 1.011 -4.253 -3.861 522 HA ALA 72 HA ALA 72 -1.592 -4.409 -3.129 523 HB1 ALA 72 3HB ALA 72 -1.779 -1.975 -3.368 524 HB2 ALA 72 1HB ALA 72 -0.375 -1.952 -4.440 525 HB3 ALA 72 2HB ALA 72 -0.189 -2.417 -2.749 526 H THR 73 H THR 73 -0.511 -3.738 -6.426 527 HA THR 73 HA THR 73 -3.117 -3.350 -7.577 528 HB THR 73 HB THR 73 -0.435 -3.994 -8.889 529 HG1 THR 73 HG1 THR 73 -0.916 -1.902 -7.711 530 HG21 THR 73 3HG2 THR 73 -2.267 -4.644 -10.430 531 HG22 THR 73 1HG2 THR 73 -1.428 -3.205 -11.013 532 HG23 THR 73 2HG2 THR 73 -3.002 -3.052 -10.234 533 H ARG 74 H ARG 74 -0.847 -6.091 -7.420 534 HA ARG 74 HA ARG 74 -2.235 -7.944 -9.016 535 HB2 ARG 74 1HB ARG 74 0.161 -8.109 -8.329 536 HB3 ARG 74 2HB ARG 74 -0.347 -8.490 -6.688 537 HG2 ARG 74 1HG ARG 74 -1.553 -10.529 -7.715 538 HG3 ARG 74 2HG ARG 74 -0.637 -10.183 -9.185 539 HD2 ARG 74 1HD ARG 74 0.441 -10.961 -6.458 540 HD3 ARG 74 2HD ARG 74 0.607 -11.834 -7.981 541 HE ARG 74 HE ARG 74 2.069 -10.003 -8.753 542 HH11 ARG 74 1HH1 ARG 74 1.641 -10.350 -5.279 543 HH12 ARG 74 2HH1 ARG 74 3.123 -9.537 -4.895 544 HH21 ARG 74 1HH2 ARG 74 3.988 -8.917 -8.230 545 HH22 ARG 74 2HH2 ARG 74 4.449 -8.723 -6.567 546 H VAL 75 H VAL 75 -2.200 -7.558 -5.469 547 HA VAL 75 HA VAL 75 -3.933 -9.724 -4.907 548 HB VAL 75 HB VAL 75 -2.275 -8.915 -3.257 549 HG11 VAL 75 1HG1 VAL 75 -2.663 -6.893 -1.904 550 HG12 VAL 75 2HG1 VAL 75 -4.051 -6.474 -2.913 551 HG13 VAL 75 3HG1 VAL 75 -2.430 -6.492 -3.608 552 HG21 VAL 75 3HG2 VAL 75 -4.179 -10.254 -2.461 553 HG22 VAL 75 1HG2 VAL 75 -5.129 -8.788 -2.211 554 HG23 VAL 75 2HG2 VAL 75 -3.687 -9.086 -1.235 555 H ALA 76 H ALA 76 -4.450 -6.250 -5.389 556 HA ALA 76 HA ALA 76 -7.180 -6.071 -4.720 557 HB1 ALA 76 3HB ALA 76 -5.776 -4.099 -5.161 558 HB2 ALA 76 1HB ALA 76 -7.195 -4.092 -6.212 559 HB3 ALA 76 2HB ALA 76 -5.620 -4.565 -6.854 560 H GLN 77 H GLN 77 -5.502 -7.168 -7.583 561 HA GLN 77 HA GLN 77 -7.836 -7.402 -9.262 562 HB2 GLN 77 1HB GLN 77 -4.937 -8.219 -9.662 563 HB3 GLN 77 2HB GLN 77 -6.191 -8.586 -10.845 564 HG2 GLN 77 1HG GLN 77 -6.676 -6.121 -11.012 565 HG3 GLN 77 2HG GLN 77 -5.311 -5.823 -9.938 566 HE21 GLN 77 2HE2 GLN 77 -4.302 -4.579 -11.555 567 HE22 GLN 77 1HE2 GLN 77 -3.529 -5.310 -12.920 568 H LYS 78 H LYS 78 -5.836 -9.638 -7.345 569 HA LYS 78 HA LYS 78 -7.054 -12.046 -8.099 570 HB2 LYS 78 1HB LYS 78 -5.709 -11.256 -5.479 571 HB3 LYS 78 2HB LYS 78 -6.136 -12.909 -5.912 572 HG2 LYS 78 1HG LYS 78 -4.553 -12.922 -7.744 573 HG3 LYS 78 2HG LYS 78 -4.235 -11.198 -7.550 574 HD2 LYS 78 1HD LYS 78 -2.380 -12.477 -6.607 575 HD3 LYS 78 2HD LYS 78 -3.236 -11.649 -5.305 576 HE2 LYS 78 1HE LYS 78 -2.665 -13.936 -4.629 577 HE3 LYS 78 2HE LYS 78 -4.417 -13.778 -4.764 578 HZ1 LYS 78 3HZ LYS 78 -4.318 -14.850 -6.916 579 HZ2 LYS 78 1HZ LYS 78 -3.614 -15.832 -5.744 580 HZ3 LYS 78 2HZ LYS 78 -2.637 -14.977 -6.820 581 H HIS 79 H HIS 79 -7.926 -9.606 -5.721 582 HA HIS 79 HA HIS 79 -10.085 -11.134 -4.565 583 HB2 HIS 79 1HB HIS 79 -9.008 -8.342 -4.119 584 HB3 HIS 79 2HB HIS 79 -10.566 -8.797 -3.439 585 HD1 HIS 79 HD1 HIS 79 -10.538 -10.160 -1.297 586 HD2 HIS 79 HD2 HIS 79 -6.790 -9.939 -3.058 587 HE1 HIS 79 HE1 HIS 79 -8.940 -11.106 0.390 588 HE2 HIS 79 HE2 HIS 79 -6.676 -10.939 -0.694 589 H GLY 80 H GLY 80 -9.968 -9.581 -7.563 590 HA2 GLY 80 1HA GLY 80 -12.199 -10.478 -8.543 591 HA3 GLY 80 2HA GLY 80 -12.922 -9.228 -7.543 592 H LEU 81 H LEU 81 -10.702 -7.371 -8.004 593 HA LEU 81 HA LEU 81 -11.687 -5.867 -10.142 594 HB2 LEU 81 1HB LEU 81 -10.480 -4.751 -8.436 595 HB3 LEU 81 2HB LEU 81 -9.126 -5.857 -8.544 596 HG LEU 81 HG LEU 81 -8.402 -4.796 -10.667 597 HD11 LEU 81 1HD1 LEU 81 -10.558 -4.019 -11.533 598 HD12 LEU 81 2HD1 LEU 81 -9.395 -2.699 -11.455 599 HD13 LEU 81 3HD1 LEU 81 -10.663 -2.825 -10.233 600 HD21 LEU 81 3HD2 LEU 81 -7.589 -2.704 -9.695 601 HD22 LEU 81 1HD2 LEU 81 -7.502 -4.010 -8.516 602 HD23 LEU 81 2HD2 LEU 81 -8.792 -2.807 -8.404 603 H HIS 82 H HIS 82 -11.520 -6.173 -12.279 604 HA HIS 82 HA HIS 82 -9.040 -7.313 -13.428 605 HB2 HIS 82 1HB HIS 82 -10.823 -9.057 -13.498 606 HB3 HIS 82 2HB HIS 82 -11.867 -7.952 -14.385 607 HD1 HIS 82 HD1 HIS 82 -8.376 -9.436 -14.830 608 HD2 HIS 82 HD2 HIS 82 -11.700 -8.374 -17.089 609 HE1 HIS 82 HE1 HIS 82 -7.828 -10.096 -17.183 610 HE2 HIS 82 HE2 HIS 82 -9.824 -9.401 -18.543 611 HA PRO 83 HA PRO 83 -9.998 -3.219 -15.271 612 HB2 PRO 83 1HB PRO 83 -7.558 -2.084 -15.057 613 HB3 PRO 83 2HB PRO 83 -8.606 -2.273 -13.641 614 HG2 PRO 83 1HG PRO 83 -6.255 -3.953 -14.498 615 HG3 PRO 83 2HG PRO 83 -6.689 -3.372 -12.875 616 HD2 PRO 83 1HD PRO 83 -7.274 -5.916 -13.832 617 HD3 PRO 83 2HD PRO 83 -8.152 -5.123 -12.512 618 H LYS 84 H LYS 84 -9.877 -2.678 -17.394 619 HA LYS 84 HA LYS 84 -8.391 -4.163 -19.325 620 HB2 LYS 84 1HB LYS 84 -10.620 -2.986 -19.715 621 HB3 LYS 84 2HB LYS 84 -9.750 -1.458 -19.709 622 HG2 LYS 84 1HG LYS 84 -10.202 -2.178 -21.998 623 HG3 LYS 84 2HG LYS 84 -8.461 -2.185 -21.696 624 HD2 LYS 84 1HD LYS 84 -8.516 -4.635 -21.376 625 HD3 LYS 84 2HD LYS 84 -10.265 -4.631 -21.619 626 HE2 LYS 84 1HE LYS 84 -8.189 -3.836 -23.686 627 HE3 LYS 84 2HE LYS 84 -9.078 -5.358 -23.648 628 HZ1 LYS 84 3HZ LYS 84 -11.137 -4.106 -23.944 629 HZ2 LYS 84 1HZ LYS 84 -10.059 -3.832 -25.216 630 HZ3 LYS 84 2HZ LYS 84 -10.265 -2.659 -24.020 631 H PHE 85 H PHE 85 -7.657 -1.525 -17.273 632 HA PHE 85 HA PHE 85 -5.406 -0.349 -18.420 633 HB2 PHE 85 1HB PHE 85 -5.875 -1.164 -15.510 634 HB3 PHE 85 2HB PHE 85 -4.581 -0.099 -16.045 635 HD1 PHE 85 HD1 PHE 85 -8.343 -0.361 -16.161 636 HD2 PHE 85 HD2 PHE 85 -4.940 2.222 -15.910 637 HE1 PHE 85 HE1 PHE 85 -9.823 1.569 -15.811 638 HE2 PHE 85 HE2 PHE 85 -6.433 4.142 -15.562 639 HZ PHE 85 HZ PHE 85 -8.871 3.822 -15.511 640 H GLY 86 H GLY 86 -5.737 -3.349 -16.516 641 HA2 GLY 86 1HA GLY 86 -4.511 -5.281 -16.438 642 HA3 GLY 86 2HA GLY 86 -3.575 -4.714 -17.817 643 H ALA 87 H ALA 87 -1.959 -2.976 -17.332 644 HA ALA 87 HA ALA 87 -0.947 -2.801 -14.588 645 HB1 ALA 87 3HB ALA 87 0.212 -4.755 -15.555 646 HB2 ALA 87 1HB ALA 87 1.342 -3.430 -15.271 647 HB3 ALA 87 2HB ALA 87 0.772 -3.770 -16.908 648 H ILE 88 H ILE 88 -1.925 -1.175 -17.265 649 HA ILE 88 HA ILE 88 0.163 0.907 -17.235 650 HB ILE 88 HB ILE 88 -0.877 1.915 -19.151 651 HG12 ILE 88 1HG1 ILE 88 -3.248 0.010 -18.838 652 HG13 ILE 88 2HG1 ILE 88 -3.288 1.721 -18.445 653 HG21 ILE 88 1HG2 ILE 88 -0.864 0.075 -20.809 654 HG22 ILE 88 2HG2 ILE 88 -0.978 -1.105 -19.501 655 HG23 ILE 88 3HG2 ILE 88 0.456 -0.085 -19.646 656 HD11 ILE 88 3HD1 ILE 88 -4.369 1.277 -20.552 657 HD12 ILE 88 1HD1 ILE 88 -2.905 0.532 -21.192 658 HD13 ILE 88 2HD1 ILE 88 -2.929 2.258 -20.812 659 H THR 89 H THR 89 -0.269 3.061 -16.610 660 HA THR 89 HA THR 89 -2.119 3.335 -14.423 661 HB THR 89 HB THR 89 -0.360 5.494 -15.682 662 HG1 THR 89 HG1 THR 89 0.215 3.533 -13.685 663 HG21 THR 89 3HG2 THR 89 -0.421 6.533 -13.427 664 HG22 THR 89 1HG2 THR 89 -1.507 5.255 -12.865 665 HG23 THR 89 2HG2 THR 89 -2.046 6.395 -14.099 666 H ARG 90 H ARG 90 -1.914 4.525 -17.740 667 HA ARG 90 HA ARG 90 -3.274 5.586 -19.187 668 HB2 ARG 90 1HB ARG 90 -5.081 4.082 -18.524 669 HB3 ARG 90 2HB ARG 90 -5.436 5.069 -17.110 670 HG2 ARG 90 1HG ARG 90 -6.162 6.919 -18.579 671 HG3 ARG 90 2HG ARG 90 -5.800 5.929 -19.995 672 HD2 ARG 90 1HD ARG 90 -7.874 5.308 -17.867 673 HD3 ARG 90 2HD ARG 90 -8.203 5.920 -19.494 674 HE ARG 90 HE ARG 90 -6.764 3.590 -19.867 675 HH11 ARG 90 1HH1 ARG 90 -9.835 4.440 -18.411 676 HH12 ARG 90 2HH1 ARG 90 -10.540 2.883 -18.693 677 HH21 ARG 90 1HH2 ARG 90 -7.725 1.541 -20.250 678 HH22 ARG 90 2HH2 ARG 90 -9.358 1.250 -19.728 679 H VAL 91 H VAL 91 -4.300 6.717 -15.965 680 HA VAL 91 HA VAL 91 -4.248 9.489 -16.408 681 HB VAL 91 HB VAL 91 -3.639 7.968 -13.827 682 HG11 VAL 91 1HG1 VAL 91 -3.111 10.356 -13.627 683 HG12 VAL 91 2HG1 VAL 91 -4.497 9.933 -12.625 684 HG13 VAL 91 3HG1 VAL 91 -4.742 10.777 -14.155 685 HG21 VAL 91 3HG2 VAL 91 -6.360 8.815 -14.901 686 HG22 VAL 91 1HG2 VAL 91 -6.058 8.083 -13.320 687 HG23 VAL 91 2HG2 VAL 91 -5.752 7.162 -14.791 688 H HIS 92 H HIS 92 -2.553 11.053 -15.747 689 HA HIS 92 HA HIS 92 0.086 10.499 -16.526 690 HB2 HIS 92 1HB HIS 92 -0.955 12.693 -14.681 691 HB3 HIS 92 2HB HIS 92 0.679 12.651 -15.332 692 HD1 HIS 92 HD1 HIS 92 -2.570 14.013 -16.022 693 HD2 HIS 92 HD2 HIS 92 0.622 12.715 -18.331 694 HE1 HIS 92 HE1 HIS 92 -2.932 15.011 -18.290 695 HE2 HIS 92 HE2 HIS 92 -1.121 14.013 -19.718 696 H LYS 93 H LYS 93 1.896 9.759 -15.447 697 HA LYS 93 HA LYS 93 1.577 8.219 -13.094 698 HB2 LYS 93 1HB LYS 93 4.058 7.928 -13.157 699 HB3 LYS 93 2HB LYS 93 3.288 7.597 -14.703 700 HG2 LYS 93 1HG LYS 93 4.065 9.702 -15.624 701 HG3 LYS 93 2HG LYS 93 4.653 10.228 -14.050 702 HD2 LYS 93 1HD LYS 93 6.369 8.459 -14.078 703 HD3 LYS 93 2HD LYS 93 5.767 7.883 -15.635 704 HE2 LYS 93 1HE LYS 93 6.417 9.980 -16.708 705 HE3 LYS 93 2HE LYS 93 6.900 10.670 -15.158 706 HZ1 LYS 93 3HZ LYS 93 8.169 8.306 -16.430 707 HZ2 LYS 93 1HZ LYS 93 8.653 9.058 -14.996 708 HZ3 LYS 93 2HZ LYS 93 8.780 9.879 -16.467 709 H GLU 94 H GLU 94 1.311 9.014 -11.112 710 HA GLU 94 HA GLU 94 3.095 11.187 -10.163 711 HB2 GLU 94 1HB GLU 94 1.334 11.295 -8.208 712 HB3 GLU 94 2HB GLU 94 0.980 12.075 -9.738 713 HG2 GLU 94 1HG GLU 94 -0.998 10.968 -8.908 714 HG3 GLU 94 2HG GLU 94 -0.454 10.185 -10.389 715 H TYR 95 H TYR 95 3.269 8.143 -10.506 716 HA TYR 95 HA TYR 95 3.236 6.777 -8.098 717 HB2 TYR 95 1HB TYR 95 3.289 5.601 -10.233 718 HB3 TYR 95 2HB TYR 95 4.873 6.270 -10.612 719 HD1 TYR 95 HD2 TYR 95 3.199 4.196 -7.955 720 HD2 TYR 95 HD1 TYR 95 6.779 4.898 -10.190 721 HE1 TYR 95 HE2 TYR 95 4.273 2.281 -6.865 722 HE2 TYR 95 HE1 TYR 95 7.844 2.975 -9.090 723 HH TYR 95 HH TYR 95 6.094 0.683 -7.309 724 H ASP 96 H ASP 96 5.907 8.545 -9.638 725 HA ASP 96 HA ASP 96 8.044 7.725 -8.077 726 HB2 ASP 96 1HB ASP 96 7.576 10.466 -9.332 727 HB3 ASP 96 2HB ASP 96 9.138 9.873 -8.760 728 H ALA 97 H ALA 97 5.760 10.378 -7.484 729 HA ALA 97 HA ALA 97 6.954 11.515 -5.200 730 HB1 ALA 97 3HB ALA 97 4.014 11.460 -5.982 731 HB2 ALA 97 1HB ALA 97 5.204 12.664 -6.482 732 HB3 ALA 97 2HB ALA 97 4.740 12.538 -4.785 733 H MET 98 H MET 98 4.408 9.046 -5.499 734 HA MET 98 HA MET 98 3.973 8.448 -2.790 735 HB2 MET 98 1HB MET 98 2.457 7.737 -4.594 736 HB3 MET 98 2HB MET 98 3.700 6.699 -5.275 737 HG2 MET 98 1HG MET 98 3.597 5.296 -3.210 738 HG3 MET 98 2HG MET 98 2.268 6.301 -2.629 739 HE1 MET 98 3HE MET 98 -0.512 5.504 -5.327 740 HE2 MET 98 1HE MET 98 0.621 6.854 -5.323 741 HE3 MET 98 2HE MET 98 -0.164 6.356 -3.824 742 H PHE 99 H PHE 99 6.032 6.836 -5.140 743 HA PHE 99 HA PHE 99 7.147 4.744 -3.770 744 HB2 PHE 99 1HB PHE 99 7.336 5.137 -6.201 745 HB3 PHE 99 2HB PHE 99 8.384 6.517 -5.922 746 HD1 PHE 99 HD2 PHE 99 8.183 2.834 -5.989 747 HD2 PHE 99 HD1 PHE 99 10.770 6.189 -5.354 748 HE1 PHE 99 HE2 PHE 99 10.149 1.373 -6.200 749 HE2 PHE 99 HE1 PHE 99 12.722 4.713 -5.563 750 HZ PHE 99 HZ PHE 99 12.420 2.306 -5.988 751 H GLU 100 H GLU 100 8.467 8.033 -4.043 752 HA GLU 100 HA GLU 100 10.740 7.397 -2.347 753 HB2 GLU 100 1HB GLU 100 11.612 9.570 -2.864 754 HB3 GLU 100 2HB GLU 100 11.028 8.815 -4.342 755 HG2 GLU 100 1HG GLU 100 8.958 10.199 -4.204 756 HG3 GLU 100 2HG GLU 100 9.607 10.984 -2.766 757 H ASP 101 H ASP 101 7.660 9.038 -1.950 758 HA ASP 101 HA ASP 101 8.215 10.299 0.546 759 HB2 ASP 101 1HB ASP 101 6.225 10.881 -0.798 760 HB3 ASP 101 2HB ASP 101 5.566 9.272 -0.546 761 H ILE 102 H ILE 102 7.000 7.063 -0.322 762 HA ILE 102 HA ILE 102 6.782 5.948 2.213 763 HB ILE 102 HB ILE 102 7.410 4.722 -0.483 764 HG12 ILE 102 1HG1 ILE 102 4.997 4.683 1.384 765 HG13 ILE 102 2HG1 ILE 102 5.122 5.465 -0.184 766 HG21 ILE 102 1HG2 ILE 102 7.165 2.434 0.448 767 HG22 ILE 102 2HG2 ILE 102 7.157 3.106 2.081 768 HG23 ILE 102 3HG2 ILE 102 8.600 3.248 1.074 769 HD11 ILE 102 3HD1 ILE 102 3.747 3.511 -0.322 770 HD12 ILE 102 1HD1 ILE 102 5.032 2.502 0.341 771 HD13 ILE 102 2HD1 ILE 102 5.224 3.250 -1.247 772 H ARG 103 H ARG 103 9.707 5.880 0.122 773 HA ARG 103 HA ARG 103 11.354 4.546 2.032 774 HB2 ARG 103 1HB ARG 103 13.349 5.155 0.779 775 HB3 ARG 103 2HB ARG 103 12.076 4.589 -0.271 776 HG2 ARG 103 1HG ARG 103 13.040 6.302 -1.496 777 HG3 ARG 103 2HG ARG 103 11.630 7.079 -0.787 778 HD2 ARG 103 1HD ARG 103 13.047 8.164 0.898 779 HD3 ARG 103 2HD ARG 103 14.461 7.296 0.289 780 HE ARG 103 HE ARG 103 14.246 8.541 -1.789 781 HH11 ARG 103 1HH1 ARG 103 12.543 9.919 0.955 782 HH12 ARG 103 2HH1 ARG 103 12.508 11.516 0.281 783 HH21 ARG 103 1HH2 ARG 103 14.197 10.638 -2.654 784 HH22 ARG 103 2HH2 ARG 103 13.442 11.921 -1.761 785 H ALA 104 H ALA 104 10.428 7.852 1.813 786 HA ALA 104 HA ALA 104 12.358 8.984 3.612 787 HB1 ALA 104 3HB ALA 104 11.183 10.355 1.958 788 HB2 ALA 104 1HB ALA 104 10.842 10.926 3.593 789 HB3 ALA 104 2HB ALA 104 9.635 9.980 2.717 790 H LYS 105 H LYS 105 8.888 8.054 3.931 791 HA LYS 105 HA LYS 105 8.542 8.346 6.648 792 HB2 LYS 105 1HB LYS 105 6.821 7.848 4.826 793 HB3 LYS 105 2HB LYS 105 7.293 6.163 4.932 794 HG2 LYS 105 1HG LYS 105 5.701 5.897 6.519 795 HG3 LYS 105 2HG LYS 105 6.694 6.867 7.600 796 HD2 LYS 105 1HD LYS 105 4.487 7.882 5.775 797 HD3 LYS 105 2HD LYS 105 4.394 7.709 7.527 798 HE2 LYS 105 1HE LYS 105 6.136 9.425 7.796 799 HE3 LYS 105 2HE LYS 105 6.258 9.594 6.046 800 HZ1 LYS 105 3HZ LYS 105 4.882 11.336 6.962 801 HZ2 LYS 105 1HZ LYS 105 3.846 10.212 7.685 802 HZ3 LYS 105 2HZ LYS 105 3.931 10.325 6.000 803 H LEU 106 H LEU 106 9.895 5.594 4.914 804 HA LEU 106 HA LEU 106 10.221 3.826 7.059 805 HB2 LEU 106 1HB LEU 106 11.484 4.050 4.340 806 HB3 LEU 106 2HB LEU 106 12.285 3.010 5.499 807 HG LEU 106 HG LEU 106 10.860 1.670 4.094 808 HD11 LEU 106 1HD1 LEU 106 11.060 0.931 6.395 809 HD12 LEU 106 2HD1 LEU 106 9.467 0.530 5.757 810 HD13 LEU 106 3HD1 LEU 106 9.657 1.893 6.861 811 HD21 LEU 106 3HD2 LEU 106 8.546 3.408 4.951 812 HD22 LEU 106 1HD2 LEU 106 8.443 1.946 3.970 813 HD23 LEU 106 2HD2 LEU 106 9.293 3.353 3.355 814 H HIS 107 H HIS 107 12.088 6.647 6.245 815 HA HIS 107 HA HIS 107 14.369 6.036 7.904 816 HB2 HIS 107 1HB HIS 107 14.541 7.702 6.098 817 HB3 HIS 107 2HB HIS 107 13.336 8.716 6.884 818 HD1 HIS 107 HD1 HIS 107 16.806 7.323 7.604 819 HD2 HIS 107 HD2 HIS 107 14.433 10.590 8.563 820 HE1 HIS 107 HE1 HIS 107 18.240 8.796 9.027 821 HE2 HIS 107 HE2 HIS 107 16.700 10.623 9.787 822 H ALA 108 H ALA 108 11.147 7.029 8.478 823 HA ALA 108 HA ALA 108 9.882 7.058 10.328 824 HB1 ALA 108 3HB ALA 108 10.752 6.793 12.597 825 HB2 ALA 108 1HB ALA 108 12.398 7.053 12.020 826 HB3 ALA 108 2HB ALA 108 11.503 5.617 11.516 827 H HIS 109 H HIS 109 11.526 9.360 9.014 828 HA HIS 109 HA HIS 109 10.013 11.438 10.399 829 HB2 HIS 109 1HB HIS 109 13.025 11.534 9.976 830 HB3 HIS 109 2HB HIS 109 12.090 13.028 9.982 831 HD1 HIS 109 HD1 HIS 109 14.239 11.647 12.179 832 HD2 HIS 109 HD2 HIS 109 10.187 12.505 12.573 833 HE1 HIS 109 HE1 HIS 109 13.826 11.883 14.643 834 HE2 HIS 109 HE2 HIS 109 11.354 12.268 14.859 835 HA PRO 110 HA PRO 110 8.754 11.980 6.238 836 HB2 PRO 110 1HB PRO 110 7.573 14.444 6.299 837 HB3 PRO 110 2HB PRO 110 6.893 13.039 7.129 838 HG2 PRO 110 1HG PRO 110 8.560 15.283 8.259 839 HG3 PRO 110 2HG PRO 110 7.077 14.548 8.915 840 HD2 PRO 110 1HD PRO 110 9.569 13.871 9.810 841 HD3 PRO 110 2HD PRO 110 8.225 12.711 9.784 842 H GLY 111 H GLY 111 10.786 11.969 5.179 843 HA2 GLY 111 1HA GLY 111 11.978 14.523 4.323 844 HA3 GLY 111 2HA GLY 111 12.510 12.901 3.886 845 H GLU 112 H GLU 112 9.517 14.790 3.600 846 HA GLU 112 HA GLU 112 8.466 13.332 1.419 847 HB2 GLU 112 1HB GLU 112 7.699 16.122 2.384 848 HB3 GLU 112 2HB GLU 112 6.702 15.060 1.390 849 HG2 GLU 112 1HG GLU 112 6.524 13.457 3.246 850 HG3 GLU 112 2HG GLU 112 7.575 14.467 4.237 851 HA PRO 113 HA PRO 113 10.340 15.613 -2.053 852 HB2 PRO 113 1HB PRO 113 8.718 14.820 -4.081 853 HB3 PRO 113 2HB PRO 113 9.839 13.698 -3.299 854 HG2 PRO 113 1HG PRO 113 6.883 14.066 -2.789 855 HG3 PRO 113 2HG PRO 113 7.786 12.556 -3.051 856 HD2 PRO 113 1HD PRO 113 7.138 13.453 -0.556 857 HD3 PRO 113 2HD PRO 113 8.626 12.533 -0.873 858 H VAL 114 H VAL 114 9.533 17.061 -3.894 859 HA VAL 114 HA VAL 114 7.031 18.481 -3.283 860 HB VAL 114 HB VAL 114 8.837 19.973 -2.568 861 HG11 VAL 114 1HG1 VAL 114 10.543 20.873 -4.104 862 HG12 VAL 114 2HG1 VAL 114 9.982 19.793 -5.379 863 HG13 VAL 114 3HG1 VAL 114 10.713 19.124 -3.920 864 HG21 VAL 114 3HG2 VAL 114 7.580 20.923 -5.173 865 HG22 VAL 114 1HG2 VAL 114 8.296 21.968 -3.942 866 HG23 VAL 114 2HG2 VAL 114 6.859 21.021 -3.566 867 H ASP 115 H ASP 115 5.683 18.168 -4.871 868 HA ASP 115 HA ASP 115 6.602 17.905 -7.677 869 HB2 ASP 115 1HB ASP 115 4.597 16.199 -6.139 870 HB3 ASP 115 2HB ASP 115 4.566 16.281 -7.896 871 H LEU 116 H LEU 116 5.978 20.305 -6.595 872 HA LEU 116 HA LEU 116 3.263 21.082 -6.936 873 HB2 LEU 116 1HB LEU 116 4.015 23.366 -6.701 874 HB3 LEU 116 2HB LEU 116 4.848 22.356 -5.544 875 HG LEU 116 HG LEU 116 6.855 22.450 -7.261 876 HD11 LEU 116 1HD1 LEU 116 5.353 24.940 -8.131 877 HD12 LEU 116 2HD1 LEU 116 5.703 23.531 -9.135 878 HD13 LEU 116 3HD1 LEU 116 7.020 24.540 -8.547 879 HD21 LEU 116 3HD2 LEU 116 6.115 24.896 -5.620 880 HD22 LEU 116 1HD2 LEU 116 7.735 24.471 -6.179 881 HD23 LEU 116 2HD2 LEU 116 6.911 23.446 -5.007 882 H GLU 117 H GLU 117 6.046 20.904 -9.099 883 HA GLU 117 HA GLU 117 4.822 22.217 -11.333 884 HB2 GLU 117 1HB GLU 117 6.779 21.543 -12.589 885 HB3 GLU 117 2HB GLU 117 7.296 22.104 -11.007 886 HG2 GLU 117 1HG GLU 117 7.601 19.773 -10.261 887 HG3 GLU 117 2HG GLU 117 7.027 19.182 -11.819 888 H ARG 118 H ARG 118 4.586 19.047 -10.012 889 HA ARG 118 HA ARG 118 4.135 17.572 -12.423 890 HB2 ARG 118 1HB ARG 118 4.921 16.651 -10.166 891 HB3 ARG 118 2HB ARG 118 3.243 16.735 -9.638 892 HG2 ARG 118 1HG ARG 118 2.570 15.132 -11.332 893 HG3 ARG 118 2HG ARG 118 4.175 15.166 -12.066 894 HD2 ARG 118 1HD ARG 118 4.889 14.398 -9.573 895 HD3 ARG 118 2HD ARG 118 3.238 13.767 -9.588 896 HE ARG 118 HE ARG 118 3.945 12.695 -11.784 897 HH11 ARG 118 1HH1 ARG 118 6.195 13.183 -9.131 898 HH12 ARG 118 2HH1 ARG 118 7.250 11.908 -9.647 899 HH21 ARG 118 1HH2 ARG 118 5.308 11.063 -12.444 900 HH22 ARG 118 2HH2 ARG 118 6.744 10.693 -11.540 901 H ILE 119 H ILE 119 2.111 19.359 -10.228 902 HA ILE 119 HA ILE 119 -0.422 18.561 -11.379 903 HB ILE 119 HB ILE 119 0.187 21.029 -9.670 904 HG12 ILE 119 1HG1 ILE 119 0.983 19.023 -8.449 905 HG13 ILE 119 2HG1 ILE 119 -0.454 19.670 -7.669 906 HG21 ILE 119 1HG2 ILE 119 -2.202 20.901 -9.019 907 HG22 ILE 119 2HG2 ILE 119 -2.428 19.527 -10.105 908 HG23 ILE 119 3HG2 ILE 119 -2.013 21.112 -10.760 909 HD11 ILE 119 3HD1 ILE 119 -0.506 17.253 -7.713 910 HD12 ILE 119 1HD1 ILE 119 -0.346 17.240 -9.468 911 HD13 ILE 119 2HD1 ILE 119 -1.804 17.894 -8.718 912 H ILE 120 H ILE 120 2.016 21.004 -11.904 913 HA ILE 120 HA ILE 120 0.464 22.800 -13.535 914 HB ILE 120 HB ILE 120 3.463 22.620 -13.022 915 HG12 ILE 120 1HG1 ILE 120 2.183 23.090 -10.980 916 HG13 ILE 120 2HG1 ILE 120 3.097 24.514 -11.450 917 HG21 ILE 120 1HG2 ILE 120 3.132 23.850 -15.111 918 HG22 ILE 120 2HG2 ILE 120 3.658 24.951 -13.837 919 HG23 ILE 120 3HG2 ILE 120 1.963 24.913 -14.331 920 HD11 ILE 120 3HD1 ILE 120 0.892 25.115 -10.653 921 HD12 ILE 120 1HD1 ILE 120 0.134 24.085 -11.866 922 HD13 ILE 120 2HD1 ILE 120 1.043 25.512 -12.364 923 H ARG 121 H ARG 121 2.136 19.846 -14.165 924 HA ARG 121 HA ARG 121 3.246 20.115 -16.689 925 HB2 ARG 121 1HB ARG 121 1.771 17.658 -15.650 926 HB3 ARG 121 2HB ARG 121 2.910 17.672 -16.992 927 HG2 ARG 121 1HG ARG 121 3.564 18.290 -14.106 928 HG3 ARG 121 2HG ARG 121 3.909 16.776 -14.939 929 HD2 ARG 121 1HD ARG 121 5.044 19.459 -15.788 930 HD3 ARG 121 2HD ARG 121 5.868 18.350 -14.690 931 HE ARG 121 HE ARG 121 5.134 17.067 -17.136 932 HH11 ARG 121 1HH1 ARG 121 7.523 19.289 -15.808 933 HH12 ARG 121 2HH1 ARG 121 8.787 18.746 -16.868 934 HH21 ARG 121 1HH2 ARG 121 6.795 16.373 -18.505 935 HH22 ARG 121 2HH2 ARG 121 8.372 17.096 -18.396 936 H HIS 122 H HIS 122 2.229 21.169 -18.290 937 HA HIS 122 HA HIS 122 -0.545 20.646 -19.019 938 HB2 HIS 122 1HB HIS 122 0.526 22.960 -19.090 939 HB3 HIS 122 2HB HIS 122 1.509 22.413 -20.440 940 HD1 HIS 122 HD1 HIS 122 -1.913 23.543 -19.538 941 HD2 HIS 122 HD2 HIS 122 0.050 22.071 -22.888 942 HE1 HIS 122 HE1 HIS 122 -3.424 24.044 -21.471 943 HE2 HIS 122 HE2 HIS 122 -2.311 22.953 -23.445 944 H GLU 123 H GLU 123 -1.114 19.205 -20.579 945 HA GLU 123 HA GLU 123 0.808 18.116 -22.489 946 HB2 GLU 123 1HB GLU 123 1.090 16.847 -20.287 947 HB3 GLU 123 2HB GLU 123 -0.565 16.282 -20.455 948 HG2 GLU 123 1HG GLU 123 1.533 15.730 -22.567 949 HG3 GLU 123 2HG GLU 123 1.371 14.708 -21.148 950 H GLY 124 H GLY 124 -0.251 18.047 -24.341 951 HA2 GLY 124 1HA GLY 124 -2.984 17.071 -24.577 952 HA3 GLY 124 2HA GLY 124 -2.745 18.772 -24.975 953 H SER 125 H SER 125 -1.093 15.673 -25.607 954 HA SER 125 HA SER 125 -0.941 16.352 -28.496 955 HB2 SER 125 1HB SER 125 1.289 16.173 -27.334 956 HB3 SER 125 2HB SER 125 0.909 14.504 -26.910 957 HG SER 125 HG SER 125 1.499 13.933 -28.837 Start of MODEL 9 1 H1 GLN 1 1H GLN 1 -10.656 13.604 0.463 2 H2 GLN 1 2H GLN 1 -11.247 13.386 2.032 3 H3 GLN 1 3H GLN 1 -12.095 14.359 0.935 4 HA GLN 1 HA GLN 1 -11.631 11.454 0.635 5 HB2 GLN 1 1HB GLN 1 -13.158 12.036 2.535 6 HB3 GLN 1 2HB GLN 1 -14.173 12.949 1.425 7 HG2 GLN 1 1HG GLN 1 -14.676 10.857 0.189 8 HG3 GLN 1 2HG GLN 1 -13.678 9.955 1.330 9 HE21 GLN 1 2HE2 GLN 1 -16.533 9.645 0.734 10 HE22 GLN 1 1HE2 GLN 1 -17.374 9.878 2.230 11 H GLY 2 H GLY 2 -11.491 11.080 -1.513 12 HA2 GLY 2 1HA GLY 2 -13.485 12.167 -3.372 13 HA3 GLY 2 2HA GLY 2 -11.800 12.587 -3.684 14 H HIS 3 H HIS 3 -10.750 11.234 -5.046 15 HA HIS 3 HA HIS 3 -11.039 8.355 -4.787 16 HB2 HIS 3 1HB HIS 3 -11.605 7.892 -7.116 17 HB3 HIS 3 2HB HIS 3 -12.853 8.885 -6.383 18 HD1 HIS 3 HD1 HIS 3 -13.387 11.083 -7.516 19 HD2 HIS 3 HD2 HIS 3 -10.010 9.268 -9.103 20 HE1 HIS 3 HE1 HIS 3 -12.870 12.352 -9.618 21 HE2 HIS 3 HE2 HIS 3 -10.726 11.339 -10.457 22 H MET 4 H MET 4 -9.036 10.759 -4.804 23 HA MET 4 HA MET 4 -6.930 9.462 -6.427 24 HB2 MET 4 1HB MET 4 -7.371 12.425 -5.933 25 HB3 MET 4 2HB MET 4 -5.916 11.769 -6.669 26 HG2 MET 4 1HG MET 4 -8.644 11.309 -7.888 27 HG3 MET 4 2HG MET 4 -7.715 12.765 -8.212 28 HE1 MET 4 3HE MET 4 -6.535 8.522 -9.747 29 HE2 MET 4 1HE MET 4 -8.053 8.877 -8.923 30 HE3 MET 4 2HE MET 4 -6.547 8.836 -8.008 31 H PHE 5 H PHE 5 -4.683 10.500 -5.641 32 HA PHE 5 HA PHE 5 -4.299 9.059 -3.176 33 HB2 PHE 5 1HB PHE 5 -2.825 8.570 -5.026 34 HB3 PHE 5 2HB PHE 5 -2.452 10.271 -5.252 35 HD1 PHE 5 HD1 PHE 5 -2.062 7.513 -2.735 36 HD2 PHE 5 HD2 PHE 5 -0.448 11.136 -4.335 37 HE1 PHE 5 HE1 PHE 5 -0.071 7.260 -1.323 38 HE2 PHE 5 HE2 PHE 5 1.540 10.868 -2.918 39 HZ PHE 5 HZ PHE 5 1.732 8.938 -1.406 40 H GLU 6 H GLU 6 -3.293 9.803 -1.355 41 HA GLU 6 HA GLU 6 -2.850 12.670 -0.910 42 HB2 GLU 6 1HB GLU 6 -4.128 12.423 1.285 43 HB3 GLU 6 2HB GLU 6 -5.121 12.408 -0.164 44 HG2 GLU 6 1HG GLU 6 -4.232 9.771 0.960 45 HG3 GLU 6 2HG GLU 6 -5.490 10.654 1.814 46 HA PRO 7 HA PRO 7 0.775 11.265 1.439 47 HB2 PRO 7 1HB PRO 7 -0.012 13.293 3.529 48 HB3 PRO 7 2HB PRO 7 1.541 13.066 2.707 49 HG2 PRO 7 1HG PRO 7 -0.060 15.082 1.995 50 HG3 PRO 7 2HG PRO 7 0.809 14.154 0.751 51 HD2 PRO 7 1HD PRO 7 -2.089 13.968 1.580 52 HD3 PRO 7 2HD PRO 7 -1.376 13.922 -0.051 53 H GLY 8 H GLY 8 0.197 9.188 2.096 54 HA2 GLY 8 1HA GLY 8 0.403 8.011 4.281 55 HA3 GLY 8 2HA GLY 8 -1.026 8.891 4.797 56 H HIS 9 H HIS 9 -2.023 8.482 1.863 57 HA HIS 9 HA HIS 9 -2.952 5.716 2.026 58 HB2 HIS 9 1HB HIS 9 -4.473 6.801 3.587 59 HB3 HIS 9 2HB HIS 9 -4.760 8.126 2.470 60 HD1 HIS 9 HD1 HIS 9 -6.524 7.767 0.665 61 HD2 HIS 9 HD2 HIS 9 -5.914 4.402 3.005 62 HE1 HIS 9 HE1 HIS 9 -8.413 6.251 0.125 63 HE2 HIS 9 HE2 HIS 9 -8.174 4.356 1.753 64 H LEU 10 H LEU 10 -3.945 5.003 0.101 65 HA LEU 10 HA LEU 10 -3.917 6.788 -2.254 66 HB2 LEU 10 1HB LEU 10 -2.048 5.244 -2.452 67 HB3 LEU 10 2HB LEU 10 -3.040 3.885 -1.951 68 HG LEU 10 HG LEU 10 -4.327 4.062 -4.102 69 HD11 LEU 10 1HD1 LEU 10 -3.465 5.433 -5.953 70 HD12 LEU 10 2HD1 LEU 10 -2.272 6.161 -4.873 71 HD13 LEU 10 3HD1 LEU 10 -3.994 6.439 -4.603 72 HD21 LEU 10 3HD2 LEU 10 -2.444 2.481 -3.887 73 HD22 LEU 10 1HD2 LEU 10 -1.330 3.720 -4.478 74 HD23 LEU 10 2HD2 LEU 10 -2.597 3.087 -5.534 75 H HIS 11 H HIS 11 -5.879 6.848 -3.270 76 HA HIS 11 HA HIS 11 -8.042 5.116 -2.281 77 HB2 HIS 11 1HB HIS 11 -8.071 7.771 -2.504 78 HB3 HIS 11 2HB HIS 11 -8.441 7.451 -4.181 79 HD1 HIS 11 HD1 HIS 11 -10.224 8.459 -1.458 80 HD2 HIS 11 HD2 HIS 11 -10.710 5.160 -3.927 81 HE1 HIS 11 HE1 HIS 11 -12.631 7.803 -1.238 82 HE2 HIS 11 HE2 HIS 11 -12.870 5.738 -2.646 83 H LEU 12 H LEU 12 -9.030 3.598 -3.555 84 HA LEU 12 HA LEU 12 -8.511 3.559 -6.479 85 HB2 LEU 12 1HB LEU 12 -8.774 1.136 -4.653 86 HB3 LEU 12 2HB LEU 12 -8.677 1.074 -6.403 87 HG LEU 12 HG LEU 12 -6.460 1.892 -4.484 88 HD11 LEU 12 1HD1 LEU 12 -6.804 -0.532 -4.627 89 HD12 LEU 12 2HD1 LEU 12 -5.289 -0.084 -5.407 90 HD13 LEU 12 3HD1 LEU 12 -6.705 -0.465 -6.391 91 HD21 LEU 12 3HD2 LEU 12 -5.014 2.167 -6.477 92 HD22 LEU 12 1HD2 LEU 12 -6.334 3.336 -6.472 93 HD23 LEU 12 2HD2 LEU 12 -6.409 1.924 -7.528 94 H VAL 13 H VAL 13 -10.419 4.260 -7.291 95 HA VAL 13 HA VAL 13 -12.666 2.338 -7.015 96 HB VAL 13 HB VAL 13 -14.284 4.070 -7.684 97 HG11 VAL 13 1HG1 VAL 13 -12.672 5.071 -5.301 98 HG12 VAL 13 2HG1 VAL 13 -13.914 3.820 -5.257 99 HG13 VAL 13 3HG1 VAL 13 -14.353 5.478 -5.663 100 HG21 VAL 13 3HG2 VAL 13 -11.981 6.066 -7.659 101 HG22 VAL 13 1HG2 VAL 13 -13.683 6.463 -7.906 102 HG23 VAL 13 2HG2 VAL 13 -12.827 5.479 -9.092 103 H SER 14 H SER 14 -13.917 2.361 -9.406 104 HA SER 14 HA SER 14 -11.792 1.710 -11.260 105 HB2 SER 14 1HB SER 14 -13.665 0.143 -10.959 106 HB3 SER 14 2HB SER 14 -14.842 1.400 -11.295 107 HG SER 14 HG SER 14 -12.905 0.849 -13.236 108 H LEU 15 H LEU 15 -11.261 3.072 -12.986 109 HA LEU 15 HA LEU 15 -12.591 5.633 -13.178 110 HB2 LEU 15 1HB LEU 15 -10.875 6.309 -14.707 111 HB3 LEU 15 2HB LEU 15 -10.138 5.479 -13.358 112 HG LEU 15 HG LEU 15 -10.180 3.398 -15.099 113 HD11 LEU 15 1HD1 LEU 15 -11.290 4.602 -16.925 114 HD12 LEU 15 2HD1 LEU 15 -9.659 4.137 -17.398 115 HD13 LEU 15 3HD1 LEU 15 -10.001 5.808 -16.941 116 HD21 LEU 15 3HD2 LEU 15 -8.167 4.270 -13.996 117 HD22 LEU 15 1HD2 LEU 15 -8.087 5.594 -15.164 118 HD23 LEU 15 2HD2 LEU 15 -7.855 3.925 -15.696 119 HA PRO 16 HA PRO 16 -15.549 3.995 -16.185 120 HB2 PRO 16 1HB PRO 16 -16.780 6.366 -16.795 121 HB3 PRO 16 2HB PRO 16 -17.121 5.459 -15.316 122 HG2 PRO 16 1HG PRO 16 -15.271 7.819 -15.709 123 HG3 PRO 16 2HG PRO 16 -16.463 7.536 -14.416 124 HD2 PRO 16 1HD PRO 16 -13.837 7.068 -14.035 125 HD3 PRO 16 2HD PRO 16 -15.069 6.014 -13.304 126 H GLY 17 H GLY 17 -14.066 3.384 -17.783 127 HA2 GLY 17 1HA GLY 17 -14.296 4.553 -20.284 128 HA3 GLY 17 2HA GLY 17 -12.794 5.182 -19.609 129 H LEU 18 H LEU 18 -11.643 3.226 -18.335 130 HA LEU 18 HA LEU 18 -10.847 1.369 -20.457 131 HB2 LEU 18 1HB LEU 18 -9.064 2.480 -19.217 132 HB3 LEU 18 2HB LEU 18 -9.716 1.925 -17.684 133 HG LEU 18 HG LEU 18 -9.133 -0.433 -18.307 134 HD11 LEU 18 1HD1 LEU 18 -7.790 0.779 -20.747 135 HD12 LEU 18 2HD1 LEU 18 -9.213 -0.265 -20.750 136 HD13 LEU 18 3HD1 LEU 18 -7.661 -0.902 -20.215 137 HD21 LEU 18 3HD2 LEU 18 -6.711 -0.241 -17.975 138 HD22 LEU 18 1HD2 LEU 18 -7.577 0.893 -16.938 139 HD23 LEU 18 2HD2 LEU 18 -6.769 1.472 -18.397 140 H ASP 19 H ASP 19 -11.484 0.975 -16.980 141 HA ASP 19 HA ASP 19 -12.878 -1.594 -17.475 142 HB2 ASP 19 1HB ASP 19 -12.083 -2.289 -15.203 143 HB3 ASP 19 2HB ASP 19 -10.766 -2.021 -16.333 144 H GLN 20 H GLN 20 -14.788 -1.925 -16.337 145 HA GLN 20 HA GLN 20 -15.822 0.220 -14.591 146 HB2 GLN 20 1HB GLN 20 -17.379 -0.952 -16.953 147 HB3 GLN 20 2HB GLN 20 -18.028 0.165 -15.757 148 HG2 GLN 20 1HG GLN 20 -16.509 1.926 -16.537 149 HG3 GLN 20 2HG GLN 20 -15.774 0.811 -17.688 150 HE21 GLN 20 2HE2 GLN 20 -16.992 0.143 -19.506 151 HE22 GLN 20 1HE2 GLN 20 -18.367 1.039 -20.048 152 H GLN 21 H GLN 21 -15.862 -0.978 -12.748 153 HA GLN 21 HA GLN 21 -17.870 -3.111 -12.561 154 HB2 GLN 21 1HB GLN 21 -15.601 -4.183 -13.038 155 HB3 GLN 21 2HB GLN 21 -15.026 -3.501 -11.522 156 HG2 GLN 21 1HG GLN 21 -16.828 -4.797 -10.341 157 HG3 GLN 21 2HG GLN 21 -17.202 -5.580 -11.878 158 HE21 GLN 21 2HE2 GLN 21 -16.318 -6.801 -9.427 159 HE22 GLN 21 1HE2 GLN 21 -14.837 -7.608 -9.780 160 H ASP 22 H ASP 22 -18.523 -3.506 -10.298 161 HA ASP 22 HA ASP 22 -18.430 -1.191 -8.588 162 HB2 ASP 22 1HB ASP 22 -20.439 -2.653 -8.639 163 HB3 ASP 22 2HB ASP 22 -19.498 -3.999 -8.013 164 H ILE 23 H ILE 23 -16.103 -1.069 -8.499 165 HA ILE 23 HA ILE 23 -14.966 -2.710 -6.310 166 HB ILE 23 HB ILE 23 -12.766 -2.639 -7.228 167 HG12 ILE 23 1HG1 ILE 23 -12.750 -1.601 -9.830 168 HG13 ILE 23 2HG1 ILE 23 -13.748 -0.437 -8.975 169 HG21 ILE 23 1HG2 ILE 23 -14.692 -3.410 -9.430 170 HG22 ILE 23 2HG2 ILE 23 -14.157 -4.426 -8.095 171 HG23 ILE 23 3HG2 ILE 23 -13.004 -3.920 -9.327 172 HD11 ILE 23 3HD1 ILE 23 -11.435 0.254 -9.045 173 HD12 ILE 23 1HD1 ILE 23 -10.925 -1.236 -8.256 174 HD13 ILE 23 2HD1 ILE 23 -11.910 -0.062 -7.377 175 H ASN 24 H ASN 24 -14.102 -1.720 -4.692 176 HA ASN 24 HA ASN 24 -13.054 0.985 -4.787 177 HB2 ASN 24 1HB ASN 24 -14.366 1.718 -2.735 178 HB3 ASN 24 2HB ASN 24 -15.329 1.577 -4.199 179 HD21 ASN 24 2HD2 ASN 24 -16.746 -0.232 -4.410 180 HD22 ASN 24 1HD2 ASN 24 -17.340 -1.054 -3.016 181 H ILE 25 H ILE 25 -11.257 1.061 -3.521 182 HA ILE 25 HA ILE 25 -10.692 -0.975 -1.507 183 HB ILE 25 HB ILE 25 -8.762 -0.527 -3.848 184 HG12 ILE 25 1HG1 ILE 25 -10.535 -2.971 -3.376 185 HG13 ILE 25 2HG1 ILE 25 -10.716 -1.810 -4.687 186 HG21 ILE 25 1HG2 ILE 25 -7.473 -2.414 -2.896 187 HG22 ILE 25 2HG2 ILE 25 -8.641 -2.561 -1.579 188 HG23 ILE 25 3HG2 ILE 25 -7.649 -1.108 -1.721 189 HD11 ILE 25 3HD1 ILE 25 -8.408 -3.702 -4.270 190 HD12 ILE 25 1HD1 ILE 25 -8.519 -2.504 -5.563 191 HD13 ILE 25 2HD1 ILE 25 -9.680 -3.825 -5.480 192 H HIS 26 H HIS 26 -9.291 -0.194 0.009 193 HA HIS 26 HA HIS 26 -8.178 2.536 -0.256 194 HB2 HIS 26 1HB HIS 26 -8.467 0.778 2.253 195 HB3 HIS 26 2HB HIS 26 -7.986 2.467 2.212 196 HD1 HIS 26 HD1 HIS 26 -9.907 2.837 3.969 197 HD2 HIS 26 HD2 HIS 26 -11.247 1.656 0.226 198 HE1 HIS 26 HE1 HIS 26 -12.370 3.259 3.976 199 HE2 HIS 26 HE2 HIS 26 -13.155 2.574 1.693 200 H ILE 27 H ILE 27 -5.850 2.706 -0.207 201 HA ILE 27 HA ILE 27 -4.341 0.287 0.645 202 HB ILE 27 HB ILE 27 -3.560 2.167 -1.634 203 HG12 ILE 27 1HG1 ILE 27 -4.242 -0.819 -1.567 204 HG13 ILE 27 2HG1 ILE 27 -5.150 0.451 -2.376 205 HG21 ILE 27 1HG2 ILE 27 -1.465 0.834 -1.856 206 HG22 ILE 27 2HG2 ILE 27 -1.889 -0.077 -0.406 207 HG23 ILE 27 3HG2 ILE 27 -1.544 1.648 -0.292 208 HD11 ILE 27 3HD1 ILE 27 -3.940 -0.895 -3.967 209 HD12 ILE 27 1HD1 ILE 27 -2.414 -0.564 -3.151 210 HD13 ILE 27 2HD1 ILE 27 -3.285 0.740 -3.961 211 H ARG 28 H ARG 28 -3.666 0.768 2.559 212 HA ARG 28 HA ARG 28 -2.620 3.406 3.310 213 HB2 ARG 28 1HB ARG 28 -3.088 0.874 4.954 214 HB3 ARG 28 2HB ARG 28 -2.559 2.424 5.609 215 HG2 ARG 28 1HG ARG 28 -4.665 3.452 5.093 216 HG3 ARG 28 2HG ARG 28 -5.195 2.051 4.160 217 HD2 ARG 28 1HD ARG 28 -6.282 2.117 6.357 218 HD3 ARG 28 2HD ARG 28 -5.260 0.690 6.200 219 HE ARG 28 HE ARG 28 -3.560 1.992 7.534 220 HH11 ARG 28 1HH1 ARG 28 -6.975 2.722 7.906 221 HH12 ARG 28 2HH1 ARG 28 -6.818 3.190 9.569 222 HH21 ARG 28 1HH2 ARG 28 -3.373 2.591 9.728 223 HH22 ARG 28 2HH2 ARG 28 -4.779 3.130 10.592 224 H TYR 29 H TYR 29 -0.439 3.727 3.486 225 HA TYR 29 HA TYR 29 1.320 1.367 3.899 226 HB2 TYR 29 1HB TYR 29 3.158 2.672 2.796 227 HB3 TYR 29 2HB TYR 29 1.852 2.246 1.702 228 HD1 TYR 29 HD2 TYR 29 0.132 4.066 1.084 229 HD2 TYR 29 HD1 TYR 29 3.831 4.980 3.027 230 HE1 TYR 29 HE2 TYR 29 -0.076 6.412 0.398 231 HE2 TYR 29 HE1 TYR 29 3.606 7.322 2.341 232 HH TYR 29 HH TYR 29 2.425 8.596 0.534 233 H GLU 30 H GLU 30 2.040 1.355 5.883 234 HA GLU 30 HA GLU 30 2.318 3.871 7.432 235 HB2 GLU 30 1HB GLU 30 1.412 1.114 8.416 236 HB3 GLU 30 2HB GLU 30 1.547 2.573 9.400 237 HG2 GLU 30 1HG GLU 30 -0.258 3.641 8.164 238 HG3 GLU 30 2HG GLU 30 -0.324 2.304 7.024 239 H VAL 31 H VAL 31 4.439 4.211 7.675 240 HA VAL 31 HA VAL 31 6.377 2.049 7.642 241 HB VAL 31 HB VAL 31 6.780 5.069 7.892 242 HG11 VAL 31 1HG1 VAL 31 8.837 2.885 7.351 243 HG12 VAL 31 2HG1 VAL 31 8.711 3.849 8.823 244 HG13 VAL 31 3HG1 VAL 31 9.150 4.623 7.300 245 HG21 VAL 31 3HG2 VAL 31 7.430 4.962 5.500 246 HG22 VAL 31 1HG2 VAL 31 5.762 4.439 5.740 247 HG23 VAL 31 2HG2 VAL 31 7.029 3.246 5.462 248 H ARG 32 H ARG 32 6.926 1.043 9.407 249 HA ARG 32 HA ARG 32 6.840 2.327 12.069 250 HB2 ARG 32 1HB ARG 32 4.823 0.841 11.620 251 HB3 ARG 32 2HB ARG 32 5.927 -0.515 11.444 252 HG2 ARG 32 1HG ARG 32 6.709 0.007 13.842 253 HG3 ARG 32 2HG ARG 32 5.307 1.074 13.949 254 HD2 ARG 32 1HD ARG 32 3.829 -0.848 13.438 255 HD3 ARG 32 2HD ARG 32 5.254 -1.898 13.365 256 HE ARG 32 HE ARG 32 4.834 -0.423 15.853 257 HH11 ARG 32 1HH1 ARG 32 4.499 -3.493 14.173 258 HH12 ARG 32 2HH1 ARG 32 4.275 -4.399 15.634 259 HH21 ARG 32 1HH2 ARG 32 4.520 -1.621 17.750 260 HH22 ARG 32 2HH2 ARG 32 4.274 -3.336 17.659 261 H GLN 33 H GLN 33 8.226 1.305 13.632 262 HA GLN 33 HA GLN 33 10.378 -0.416 12.529 263 HB2 GLN 33 1HB GLN 33 10.677 1.309 15.025 264 HB3 GLN 33 2HB GLN 33 11.947 0.587 14.052 265 HG2 GLN 33 1HG GLN 33 10.201 2.910 13.181 266 HG3 GLN 33 2HG GLN 33 11.803 3.075 13.885 267 HE21 GLN 33 2HE2 GLN 33 10.015 2.374 11.008 268 HE22 GLN 33 1HE2 GLN 33 11.370 2.265 9.948 269 H ASN 34 H ASN 34 9.753 -2.451 13.145 270 HA ASN 34 HA ASN 34 8.839 -2.965 15.906 271 HB2 ASN 34 1HB ASN 34 8.228 -5.209 15.216 272 HB3 ASN 34 2HB ASN 34 7.573 -4.068 14.055 273 HD21 ASN 34 2HD2 ASN 34 10.341 -3.902 12.720 274 HD22 ASN 34 1HD2 ASN 34 10.403 -5.334 11.786 275 H ALA 35 H ALA 35 9.851 -4.490 17.265 276 HA ALA 35 HA ALA 35 12.714 -4.425 17.300 277 HB1 ALA 35 3HB ALA 35 12.493 -5.771 19.356 278 HB2 ALA 35 1HB ALA 35 10.784 -6.044 19.005 279 HB3 ALA 35 2HB ALA 35 11.362 -4.415 19.365 280 H GLU 36 H GLU 36 10.347 -6.633 16.092 281 HA GLU 36 HA GLU 36 11.777 -9.060 16.073 282 HB2 GLU 36 1HB GLU 36 9.347 -8.988 15.923 283 HB3 GLU 36 2HB GLU 36 9.423 -8.074 14.424 284 HG2 GLU 36 1HG GLU 36 10.401 -10.018 13.277 285 HG3 GLU 36 2HG GLU 36 10.343 -10.942 14.778 286 H SER 37 H SER 37 11.280 -6.637 13.463 287 HA SER 37 HA SER 37 13.302 -8.036 11.792 288 HB2 SER 37 1HB SER 37 10.629 -6.902 10.864 289 HB3 SER 37 2HB SER 37 11.830 -7.677 9.834 290 HG SER 37 HG SER 37 11.389 -9.403 11.727 291 H GLY 38 H GLY 38 12.617 -5.124 13.296 292 HA2 GLY 38 1HA GLY 38 13.996 -3.235 13.228 293 HA3 GLY 38 2HA GLY 38 14.600 -3.726 11.654 294 H ALA 39 H ALA 39 14.176 -2.012 10.336 295 HA ALA 39 HA ALA 39 11.737 -0.440 10.531 296 HB1 ALA 39 3HB ALA 39 13.876 0.660 9.983 297 HB2 ALA 39 1HB ALA 39 12.706 0.881 8.680 298 HB3 ALA 39 2HB ALA 39 14.006 -0.297 8.511 299 H TYR 40 H TYR 40 9.939 -0.681 9.284 300 HA TYR 40 HA TYR 40 9.923 -2.097 6.763 301 HB2 TYR 40 1HB TYR 40 8.683 -4.023 7.321 302 HB3 TYR 40 2HB TYR 40 9.867 -3.917 8.613 303 HD1 TYR 40 HD1 TYR 40 8.965 -2.561 10.801 304 HD2 TYR 40 HD2 TYR 40 6.464 -4.523 7.935 305 HE1 TYR 40 HE1 TYR 40 7.171 -2.740 12.471 306 HE2 TYR 40 HE2 TYR 40 4.679 -4.696 9.611 307 HH TYR 40 HH TYR 40 4.478 -4.752 12.076 308 H VAL 41 H VAL 41 7.526 -2.371 6.012 309 HA VAL 41 HA VAL 41 5.855 -0.112 6.927 310 HB VAL 41 HB VAL 41 6.225 -0.808 3.971 311 HG11 VAL 41 1HG1 VAL 41 5.067 1.338 3.557 312 HG12 VAL 41 2HG1 VAL 41 4.901 1.599 5.295 313 HG13 VAL 41 3HG1 VAL 41 4.062 0.255 4.519 314 HG21 VAL 41 3HG2 VAL 41 7.528 1.474 5.499 315 HG22 VAL 41 1HG2 VAL 41 7.561 1.268 3.743 316 HG23 VAL 41 2HG2 VAL 41 8.352 0.087 4.788 317 H HIS 42 H HIS 42 3.894 -0.808 7.430 318 HA HIS 42 HA HIS 42 2.799 -3.343 6.497 319 HB2 HIS 42 1HB HIS 42 2.449 -2.854 8.835 320 HB3 HIS 42 2HB HIS 42 1.849 -1.237 8.487 321 HD1 HIS 42 HD1 HIS 42 0.795 -4.866 8.297 322 HD2 HIS 42 HD2 HIS 42 -0.882 -1.080 8.060 323 HE1 HIS 42 HE1 HIS 42 -1.684 -5.228 8.281 324 HE2 HIS 42 HE2 HIS 42 -2.677 -2.930 8.069 325 H PHE 43 H PHE 43 1.685 -3.413 4.617 326 HA PHE 43 HA PHE 43 0.261 -1.021 3.614 327 HB2 PHE 43 1HB PHE 43 0.961 -3.609 2.151 328 HB3 PHE 43 2HB PHE 43 0.268 -2.161 1.426 329 HD1 PHE 43 HD1 PHE 43 1.670 -0.057 1.267 330 HD2 PHE 43 HD2 PHE 43 3.354 -3.793 2.517 331 HE1 PHE 43 HE1 PHE 43 3.934 0.797 0.818 332 HE2 PHE 43 HE2 PHE 43 5.603 -2.922 2.065 333 HZ PHE 43 HZ PHE 43 5.899 -0.632 1.213 334 H ASP 44 H ASP 44 -1.974 -1.036 3.591 335 HA ASP 44 HA ASP 44 -3.383 -3.498 4.491 336 HB2 ASP 44 1HB ASP 44 -2.819 -1.855 6.373 337 HB3 ASP 44 2HB ASP 44 -3.881 -0.695 5.590 338 H MET 45 H MET 45 -5.118 -3.951 3.236 339 HA MET 45 HA MET 45 -6.330 -1.855 1.528 340 HB2 MET 45 1HB MET 45 -5.753 -4.769 0.834 341 HB3 MET 45 2HB MET 45 -6.621 -3.647 -0.208 342 HG2 MET 45 1HG MET 45 -4.632 -2.310 -0.525 343 HG3 MET 45 2HG MET 45 -3.751 -3.242 0.683 344 HE1 MET 45 3HE MET 45 -5.477 -3.438 -2.895 345 HE2 MET 45 1HE MET 45 -6.196 -4.793 -2.027 346 HE3 MET 45 2HE MET 45 -5.071 -5.097 -3.354 347 H ASP 46 H ASP 46 -8.514 -1.685 1.601 348 HA ASP 46 HA ASP 46 -10.237 -3.922 2.323 349 HB2 ASP 46 1HB ASP 46 -11.346 -2.808 4.211 350 HB3 ASP 46 2HB ASP 46 -9.632 -2.999 4.549 351 H GLY 47 H GLY 47 -12.460 -3.548 1.845 352 HA2 GLY 47 1HA GLY 47 -13.849 -1.280 1.172 353 HA3 GLY 47 2HA GLY 47 -12.997 -1.696 -0.319 354 H GLU 48 H GLU 48 -15.087 -2.214 -1.411 355 HA GLU 48 HA GLU 48 -15.770 -4.995 -0.868 356 HB2 GLU 48 1HB GLU 48 -18.205 -4.618 -1.019 357 HB3 GLU 48 2HB GLU 48 -17.486 -3.950 0.438 358 HG2 GLU 48 1HG GLU 48 -17.580 -1.681 -0.559 359 HG3 GLU 48 2HG GLU 48 -18.322 -2.355 -2.009 360 H ILE 49 H ILE 49 -15.069 -5.723 -2.682 361 HA ILE 49 HA ILE 49 -15.945 -4.732 -5.277 362 HB ILE 49 HB ILE 49 -14.189 -7.115 -4.555 363 HG12 ILE 49 1HG1 ILE 49 -13.447 -4.316 -5.565 364 HG13 ILE 49 2HG1 ILE 49 -13.202 -4.913 -3.928 365 HG21 ILE 49 1HG2 ILE 49 -15.209 -7.501 -6.740 366 HG22 ILE 49 2HG2 ILE 49 -13.509 -7.098 -6.958 367 HG23 ILE 49 3HG2 ILE 49 -14.750 -5.888 -7.284 368 HD11 ILE 49 3HD1 ILE 49 -11.142 -4.903 -5.172 369 HD12 ILE 49 1HD1 ILE 49 -11.837 -5.944 -6.412 370 HD13 ILE 49 2HD1 ILE 49 -11.598 -6.556 -4.772 371 H ASP 50 H ASP 50 -17.599 -5.444 -6.433 372 HA ASP 50 HA ASP 50 -19.579 -6.367 -6.965 373 HB2 ASP 50 1HB ASP 50 -18.330 -8.928 -5.866 374 HB3 ASP 50 2HB ASP 50 -19.871 -8.877 -6.712 375 H GLY 51 H GLY 51 -19.058 -5.141 -4.375 376 HA2 GLY 51 1HA GLY 51 -20.295 -4.547 -2.541 377 HA3 GLY 51 2HA GLY 51 -21.502 -5.746 -2.981 378 H LYS 52 H LYS 52 -18.383 -7.140 -2.835 379 HA LYS 52 HA LYS 52 -18.998 -8.455 -0.321 380 HB2 LYS 52 1HB LYS 52 -16.854 -8.998 -2.390 381 HB3 LYS 52 2HB LYS 52 -17.176 -10.010 -0.980 382 HG2 LYS 52 1HG LYS 52 -19.423 -10.540 -1.843 383 HG3 LYS 52 2HG LYS 52 -19.141 -9.508 -3.248 384 HD2 LYS 52 1HD LYS 52 -17.574 -12.030 -2.551 385 HD3 LYS 52 2HD LYS 52 -18.821 -11.904 -3.792 386 HE2 LYS 52 1HE LYS 52 -17.410 -10.239 -5.001 387 HE3 LYS 52 2HE LYS 52 -16.146 -10.455 -3.788 388 HZ1 LYS 52 3HZ LYS 52 -15.968 -12.767 -4.425 389 HZ2 LYS 52 1HZ LYS 52 -15.748 -11.770 -5.773 390 HZ3 LYS 52 2HZ LYS 52 -17.209 -12.589 -5.556 391 HA PRO 53 HA PRO 53 -16.014 -5.601 1.692 392 HB2 PRO 53 1HB PRO 53 -16.513 -6.484 4.274 393 HB3 PRO 53 2HB PRO 53 -17.494 -5.268 3.443 394 HG2 PRO 53 1HG PRO 53 -17.996 -8.230 3.734 395 HG3 PRO 53 2HG PRO 53 -19.131 -6.874 3.944 396 HD2 PRO 53 1HD PRO 53 -19.095 -8.320 1.667 397 HD3 PRO 53 2HD PRO 53 -19.389 -6.569 1.628 398 H PHE 54 H PHE 54 -13.909 -5.970 2.028 399 HA PHE 54 HA PHE 54 -12.930 -8.600 2.911 400 HB2 PHE 54 1HB PHE 54 -11.283 -8.781 1.143 401 HB3 PHE 54 2HB PHE 54 -12.846 -8.568 0.377 402 HD1 PHE 54 HD1 PHE 54 -13.421 -6.301 -0.645 403 HD2 PHE 54 HD2 PHE 54 -9.477 -7.238 0.734 404 HE1 PHE 54 HE1 PHE 54 -12.504 -4.440 -1.964 405 HE2 PHE 54 HE2 PHE 54 -8.573 -5.373 -0.587 406 HZ PHE 54 HZ PHE 54 -10.086 -3.975 -1.935 407 H SER 55 H SER 55 -11.055 -8.498 4.081 408 HA SER 55 HA SER 55 -9.570 -5.953 4.235 409 HB2 SER 55 1HB SER 55 -9.224 -6.343 6.678 410 HB3 SER 55 2HB SER 55 -10.920 -6.070 6.284 411 HG SER 55 HG SER 55 -11.341 -8.203 6.567 412 H ASP 56 H ASP 56 -7.655 -6.357 3.463 413 HA ASP 56 HA ASP 56 -6.247 -8.909 3.867 414 HB2 ASP 56 1HB ASP 56 -7.581 -8.915 1.651 415 HB3 ASP 56 2HB ASP 56 -6.558 -7.594 1.113 416 H SER 57 H SER 57 -4.003 -8.574 4.001 417 HA SER 57 HA SER 57 -2.884 -5.932 3.484 418 HB2 SER 57 1HB SER 57 -2.107 -5.683 5.893 419 HB3 SER 57 2HB SER 57 -3.845 -5.506 5.667 420 HG SER 57 HG SER 57 -4.001 -7.761 6.288 421 H PHE 58 H PHE 58 -0.669 -5.911 3.370 422 HA PHE 58 HA PHE 58 0.863 -8.370 3.870 423 HB2 PHE 58 1HB PHE 58 1.965 -8.234 1.669 424 HB3 PHE 58 2HB PHE 58 0.237 -8.476 1.486 425 HD1 PHE 58 HD2 PHE 58 -1.225 -6.525 0.729 426 HD2 PHE 58 HD1 PHE 58 3.050 -6.305 0.698 427 HE1 PHE 58 HE2 PHE 58 -1.323 -4.630 -0.839 428 HE2 PHE 58 HE1 PHE 58 2.935 -4.424 -0.866 429 HZ PHE 58 HZ PHE 58 0.758 -3.580 -1.638 430 H GLU 59 H GLU 59 2.997 -7.987 4.427 431 HA GLU 59 HA GLU 59 3.802 -5.155 4.808 432 HB2 GLU 59 1HB GLU 59 4.503 -7.544 6.581 433 HB3 GLU 59 2HB GLU 59 5.158 -5.924 6.771 434 HG2 GLU 59 1HG GLU 59 3.474 -6.176 8.421 435 HG3 GLU 59 2HG GLU 59 2.808 -5.108 7.191 436 H LEU 60 H LEU 60 5.772 -4.571 4.143 437 HA LEU 60 HA LEU 60 7.747 -6.595 3.284 438 HB2 LEU 60 1HB LEU 60 6.931 -4.061 1.806 439 HB3 LEU 60 2HB LEU 60 8.369 -4.993 1.418 440 HG LEU 60 HG LEU 60 5.537 -6.106 1.237 441 HD11 LEU 60 1HD1 LEU 60 5.746 -5.873 -1.204 442 HD12 LEU 60 2HD1 LEU 60 7.285 -5.035 -0.999 443 HD13 LEU 60 3HD1 LEU 60 5.793 -4.308 -0.396 444 HD21 LEU 60 3HD2 LEU 60 7.248 -7.839 1.587 445 HD22 LEU 60 1HD2 LEU 60 8.175 -7.224 0.214 446 HD23 LEU 60 2HD2 LEU 60 6.581 -7.937 -0.040 447 HA PRO 61 HA PRO 61 10.330 -4.050 6.007 448 HB2 PRO 61 1HB PRO 61 12.803 -4.950 5.194 449 HB3 PRO 61 2HB PRO 61 11.747 -5.871 6.274 450 HG2 PRO 61 1HG PRO 61 12.080 -6.136 3.281 451 HG3 PRO 61 2HG PRO 61 12.069 -7.412 4.522 452 HD2 PRO 61 1HD PRO 61 9.866 -6.890 3.066 453 HD3 PRO 61 2HD PRO 61 9.731 -7.302 4.793 454 H ARG 62 H ARG 62 11.873 -2.351 5.830 455 HA ARG 62 HA ARG 62 11.710 -0.348 4.097 456 HB2 ARG 62 1HB ARG 62 14.014 0.318 4.781 457 HB3 ARG 62 2HB ARG 62 13.059 -0.268 6.135 458 HG2 ARG 62 1HG ARG 62 14.177 -2.444 6.033 459 HG3 ARG 62 2HG ARG 62 15.102 -1.924 4.625 460 HD2 ARG 62 1HD ARG 62 16.224 -0.207 5.998 461 HD3 ARG 62 2HD ARG 62 15.302 -0.739 7.409 462 HE ARG 62 HE ARG 62 16.876 -2.777 6.045 463 HH11 ARG 62 1HH1 ARG 62 16.805 -0.495 8.714 464 HH12 ARG 62 2HH1 ARG 62 18.022 -1.336 9.618 465 HH21 ARG 62 1HH2 ARG 62 18.475 -3.854 7.235 466 HH22 ARG 62 2HH2 ARG 62 18.967 -3.238 8.780 467 H ASP 63 H ASP 63 13.660 -3.243 3.411 468 HA ASP 63 HA ASP 63 15.087 -2.130 1.184 469 HB2 ASP 63 1HB ASP 63 14.914 -4.949 2.320 470 HB3 ASP 63 2HB ASP 63 15.936 -4.523 0.954 471 H THR 64 H THR 64 11.985 -3.608 1.437 472 HA THR 64 HA THR 64 11.865 -4.113 -1.474 473 HB THR 64 HB THR 64 10.398 -6.125 -1.039 474 HG1 THR 64 HG1 THR 64 10.647 -7.053 1.113 475 HG21 THR 64 3HG2 THR 64 12.223 -7.698 -0.500 476 HG22 THR 64 1HG2 THR 64 13.232 -6.358 0.056 477 HG23 THR 64 2HG2 THR 64 12.766 -6.472 -1.644 478 H ALA 65 H ALA 65 10.741 -2.340 0.985 479 HA ALA 65 HA ALA 65 7.964 -2.356 0.988 480 HB1 ALA 65 3HB ALA 65 9.774 0.061 1.301 481 HB2 ALA 65 1HB ALA 65 9.343 -1.078 2.580 482 HB3 ALA 65 2HB ALA 65 8.099 -0.061 1.849 483 H PHE 66 H PHE 66 10.144 -0.667 -1.175 484 HA PHE 66 HA PHE 66 8.211 0.850 -2.595 485 HB2 PHE 66 1HB PHE 66 10.983 0.099 -3.613 486 HB3 PHE 66 2HB PHE 66 10.044 1.535 -4.016 487 HD1 PHE 66 HD2 PHE 66 9.235 2.810 -1.641 488 HD2 PHE 66 HD1 PHE 66 12.834 0.575 -2.249 489 HE1 PHE 66 HE2 PHE 66 10.297 3.995 0.225 490 HE2 PHE 66 HE1 PHE 66 13.884 1.767 -0.370 491 HZ PHE 66 HZ PHE 66 12.617 3.482 0.864 492 H ASN 67 H ASN 67 9.013 -2.476 -2.845 493 HA ASN 67 HA ASN 67 8.375 -2.773 -5.688 494 HB2 ASN 67 1HB ASN 67 9.177 -4.727 -3.503 495 HB3 ASN 67 2HB ASN 67 8.591 -5.299 -5.058 496 HD21 ASN 67 2HD2 ASN 67 10.711 -2.475 -4.560 497 HD22 ASN 67 1HD2 ASN 67 12.080 -3.158 -5.355 498 H PHE 68 H PHE 68 6.652 -2.385 -2.903 499 HA PHE 68 HA PHE 68 4.679 -4.230 -2.747 500 HB2 PHE 68 1HB PHE 68 3.424 -2.732 -1.427 501 HB3 PHE 68 2HB PHE 68 5.075 -2.170 -1.239 502 HD1 PHE 68 HD1 PHE 68 5.815 -0.205 -2.878 503 HD2 PHE 68 HD2 PHE 68 1.738 -1.174 -1.970 504 HE1 PHE 68 HE1 PHE 68 5.103 2.015 -3.652 505 HE2 PHE 68 HE2 PHE 68 1.050 1.049 -2.741 506 HZ PHE 68 HZ PHE 68 2.721 2.635 -3.594 507 H ALA 69 H ALA 69 4.603 -1.388 -4.978 508 HA ALA 69 HA ALA 69 1.986 -1.367 -5.712 509 HB1 ALA 69 3HB ALA 69 3.615 0.373 -6.286 510 HB2 ALA 69 1HB ALA 69 2.683 -0.117 -7.701 511 HB3 ALA 69 2HB ALA 69 4.343 -0.686 -7.493 512 H SER 70 H SER 70 4.423 -3.611 -6.900 513 HA SER 70 HA SER 70 3.006 -4.602 -9.173 514 HB2 SER 70 1HB SER 70 5.114 -6.021 -7.478 515 HB3 SER 70 2HB SER 70 4.675 -6.395 -9.148 516 HG SER 70 HG SER 70 5.273 -3.914 -9.269 517 H ASP 71 H ASP 71 3.324 -5.673 -5.783 518 HA ASP 71 HA ASP 71 1.589 -7.949 -6.045 519 HB2 ASP 71 1HB ASP 71 3.412 -7.926 -4.399 520 HB3 ASP 71 2HB ASP 71 2.666 -6.574 -3.549 521 H ALA 72 H ALA 72 1.215 -4.796 -4.417 522 HA ALA 72 HA ALA 72 -1.311 -4.790 -3.469 523 HB1 ALA 72 3HB ALA 72 0.238 -2.882 -3.272 524 HB2 ALA 72 1HB ALA 72 -1.352 -2.350 -3.822 525 HB3 ALA 72 2HB ALA 72 -0.019 -2.485 -4.971 526 H THR 73 H THR 73 -0.406 -4.303 -6.847 527 HA THR 73 HA THR 73 -3.067 -3.986 -7.880 528 HB THR 73 HB THR 73 -0.460 -4.707 -9.297 529 HG1 THR 73 HG1 THR 73 -0.081 -2.668 -8.961 530 HG21 THR 73 3HG2 THR 73 -3.083 -3.721 -10.494 531 HG22 THR 73 1HG2 THR 73 -2.398 -5.333 -10.703 532 HG23 THR 73 2HG2 THR 73 -1.565 -3.931 -11.372 533 H ARG 74 H ARG 74 -0.788 -6.700 -7.631 534 HA ARG 74 HA ARG 74 -2.193 -8.638 -9.118 535 HB2 ARG 74 1HB ARG 74 0.187 -8.869 -8.606 536 HB3 ARG 74 2HB ARG 74 -0.152 -8.990 -6.883 537 HG2 ARG 74 1HG ARG 74 -1.315 -11.145 -7.265 538 HG3 ARG 74 2HG ARG 74 -0.975 -11.018 -8.993 539 HD2 ARG 74 1HD ARG 74 1.428 -11.138 -8.555 540 HD3 ARG 74 2HD ARG 74 1.129 -11.154 -6.813 541 HE ARG 74 HE ARG 74 -0.224 -13.305 -8.085 542 HH11 ARG 74 1HH1 ARG 74 2.993 -12.329 -7.065 543 HH12 ARG 74 2HH1 ARG 74 3.559 -13.958 -6.872 544 HH21 ARG 74 1HH2 ARG 74 0.535 -15.442 -7.825 545 HH22 ARG 74 2HH2 ARG 74 2.165 -15.719 -7.298 546 H VAL 75 H VAL 75 -2.204 -8.076 -5.593 547 HA VAL 75 HA VAL 75 -4.022 -10.185 -5.007 548 HB VAL 75 HB VAL 75 -2.363 -9.435 -3.333 549 HG11 VAL 75 1HG1 VAL 75 -2.671 -7.351 -2.049 550 HG12 VAL 75 2HG1 VAL 75 -3.987 -6.878 -3.125 551 HG13 VAL 75 3HG1 VAL 75 -2.346 -7.026 -3.752 552 HG21 VAL 75 3HG2 VAL 75 -3.842 -9.463 -1.347 553 HG22 VAL 75 1HG2 VAL 75 -4.370 -10.637 -2.551 554 HG23 VAL 75 2HG2 VAL 75 -5.238 -9.110 -2.367 555 H ALA 76 H ALA 76 -4.362 -6.766 -5.783 556 HA ALA 76 HA ALA 76 -7.052 -6.404 -4.908 557 HB1 ALA 76 3HB ALA 76 -6.990 -4.374 -6.314 558 HB2 ALA 76 1HB ALA 76 -5.476 -4.920 -7.041 559 HB3 ALA 76 2HB ALA 76 -5.536 -4.517 -5.325 560 H GLN 77 H GLN 77 -5.557 -7.387 -7.954 561 HA GLN 77 HA GLN 77 -8.072 -7.584 -9.403 562 HB2 GLN 77 1HB GLN 77 -6.814 -8.327 -11.321 563 HB3 GLN 77 2HB GLN 77 -5.985 -6.959 -10.593 564 HG2 GLN 77 1HG GLN 77 -4.432 -8.615 -9.477 565 HG3 GLN 77 2HG GLN 77 -5.179 -9.873 -10.460 566 HE21 GLN 77 2HE2 GLN 77 -3.176 -7.020 -10.503 567 HE22 GLN 77 1HE2 GLN 77 -2.524 -7.255 -12.083 568 H LYS 78 H LYS 78 -5.985 -9.747 -7.577 569 HA LYS 78 HA LYS 78 -7.295 -12.193 -8.100 570 HB2 LYS 78 1HB LYS 78 -5.056 -11.794 -6.917 571 HB3 LYS 78 2HB LYS 78 -5.976 -11.331 -5.493 572 HG2 LYS 78 1HG LYS 78 -7.059 -13.664 -5.617 573 HG3 LYS 78 2HG LYS 78 -5.812 -14.058 -6.804 574 HD2 LYS 78 1HD LYS 78 -5.411 -13.272 -3.894 575 HD3 LYS 78 2HD LYS 78 -5.067 -14.835 -4.632 576 HE2 LYS 78 1HE LYS 78 -3.264 -13.784 -5.979 577 HE3 LYS 78 2HE LYS 78 -3.590 -12.234 -5.203 578 HZ1 LYS 78 3HZ LYS 78 -1.752 -13.284 -4.137 579 HZ2 LYS 78 1HZ LYS 78 -2.628 -14.709 -3.893 580 HZ3 LYS 78 2HZ LYS 78 -3.057 -13.306 -3.060 581 H HIS 79 H HIS 79 -8.067 -9.453 -6.008 582 HA HIS 79 HA HIS 79 -10.376 -10.725 -4.755 583 HB2 HIS 79 1HB HIS 79 -9.165 -7.946 -4.599 584 HB3 HIS 79 2HB HIS 79 -10.796 -8.223 -4.000 585 HD1 HIS 79 HD1 HIS 79 -10.988 -10.071 -2.033 586 HD2 HIS 79 HD2 HIS 79 -7.184 -8.579 -2.764 587 HE1 HIS 79 HE1 HIS 79 -9.646 -10.633 0.001 588 HE2 HIS 79 HE2 HIS 79 -7.300 -9.951 -0.584 589 H GLY 80 H GLY 80 -9.931 -9.862 -7.849 590 HA2 GLY 80 1HA GLY 80 -11.549 -9.989 -9.472 591 HA3 GLY 80 2HA GLY 80 -12.784 -9.594 -8.295 592 H LEU 81 H LEU 81 -9.836 -7.804 -9.405 593 HA LEU 81 HA LEU 81 -11.501 -5.504 -10.124 594 HB2 LEU 81 1HB LEU 81 -8.528 -5.968 -10.602 595 HB3 LEU 81 2HB LEU 81 -9.391 -4.519 -11.084 596 HG LEU 81 HG LEU 81 -8.730 -5.434 -8.280 597 HD11 LEU 81 1HD1 LEU 81 -7.593 -3.265 -8.123 598 HD12 LEU 81 2HD1 LEU 81 -8.056 -2.889 -9.784 599 HD13 LEU 81 3HD1 LEU 81 -6.953 -4.226 -9.453 600 HD21 LEU 81 3HD2 LEU 81 -11.021 -4.666 -8.162 601 HD22 LEU 81 1HD2 LEU 81 -10.617 -3.198 -9.059 602 HD23 LEU 81 2HD2 LEU 81 -9.962 -3.460 -7.440 603 H HIS 82 H HIS 82 -11.992 -4.854 -12.177 604 HA HIS 82 HA HIS 82 -12.043 -4.595 -14.404 605 HB2 HIS 82 1HB HIS 82 -9.834 -6.688 -14.632 606 HB3 HIS 82 2HB HIS 82 -10.345 -5.593 -15.914 607 HD1 HIS 82 HD1 HIS 82 -7.424 -5.577 -15.091 608 HD2 HIS 82 HD2 HIS 82 -10.250 -3.092 -13.329 609 HE1 HIS 82 HE1 HIS 82 -6.140 -3.663 -14.119 610 HE2 HIS 82 HE2 HIS 82 -7.884 -2.078 -13.266 611 HA PRO 83 HA PRO 83 -15.102 -7.753 -15.523 612 HB2 PRO 83 1HB PRO 83 -14.855 -6.529 -18.262 613 HB3 PRO 83 2HB PRO 83 -16.301 -6.787 -17.273 614 HG2 PRO 83 1HG PRO 83 -15.296 -4.332 -17.526 615 HG3 PRO 83 2HG PRO 83 -15.879 -4.889 -15.940 616 HD2 PRO 83 1HD PRO 83 -13.036 -4.726 -16.959 617 HD3 PRO 83 2HD PRO 83 -13.698 -4.220 -15.386 618 H LYS 84 H LYS 84 -15.473 -9.359 -17.431 619 HA LYS 84 HA LYS 84 -13.183 -11.034 -17.724 620 HB2 LYS 84 1HB LYS 84 -15.946 -11.141 -18.981 621 HB3 LYS 84 2HB LYS 84 -14.718 -12.369 -19.283 622 HG2 LYS 84 1HG LYS 84 -14.640 -12.856 -16.839 623 HG3 LYS 84 2HG LYS 84 -15.940 -11.686 -16.584 624 HD2 LYS 84 1HD LYS 84 -17.488 -13.037 -17.884 625 HD3 LYS 84 2HD LYS 84 -16.196 -14.130 -18.387 626 HE2 LYS 84 1HE LYS 84 -17.564 -15.159 -16.638 627 HE3 LYS 84 2HE LYS 84 -15.928 -14.882 -16.046 628 HZ1 LYS 84 3HZ LYS 84 -16.749 -12.879 -14.929 629 HZ2 LYS 84 1HZ LYS 84 -17.531 -14.275 -14.390 630 HZ3 LYS 84 2HZ LYS 84 -18.318 -13.222 -15.453 631 H PHE 85 H PHE 85 -14.402 -8.431 -19.649 632 HA PHE 85 HA PHE 85 -13.014 -8.887 -22.073 633 HB2 PHE 85 1HB PHE 85 -14.714 -7.118 -21.860 634 HB3 PHE 85 2HB PHE 85 -13.748 -6.279 -20.655 635 HD1 PHE 85 HD2 PHE 85 -13.779 -7.301 -24.261 636 HD2 PHE 85 HD1 PHE 85 -12.129 -4.637 -21.345 637 HE1 PHE 85 HE2 PHE 85 -12.705 -5.996 -26.050 638 HE2 PHE 85 HE1 PHE 85 -11.053 -3.347 -23.141 639 HZ PHE 85 HZ PHE 85 -11.337 -4.025 -25.494 640 H GLY 86 H GLY 86 -12.100 -7.399 -19.000 641 HA2 GLY 86 1HA GLY 86 -9.959 -7.509 -18.005 642 HA3 GLY 86 2HA GLY 86 -9.231 -7.711 -19.596 643 H ALA 87 H ALA 87 -7.843 -6.022 -18.457 644 HA ALA 87 HA ALA 87 -8.331 -3.486 -19.689 645 HB1 ALA 87 3HB ALA 87 -8.303 -2.100 -17.633 646 HB2 ALA 87 1HB ALA 87 -8.360 -3.561 -16.645 647 HB3 ALA 87 2HB ALA 87 -9.722 -3.143 -17.683 648 H ILE 88 H ILE 88 -6.348 -3.427 -20.602 649 HA ILE 88 HA ILE 88 -3.901 -4.272 -19.413 650 HB ILE 88 HB ILE 88 -4.406 -2.350 -21.741 651 HG12 ILE 88 1HG1 ILE 88 -3.685 -5.328 -21.766 652 HG13 ILE 88 2HG1 ILE 88 -5.272 -4.661 -22.129 653 HG21 ILE 88 1HG2 ILE 88 -2.049 -2.735 -22.415 654 HG22 ILE 88 2HG2 ILE 88 -1.781 -3.686 -20.955 655 HG23 ILE 88 3HG2 ILE 88 -2.142 -1.964 -20.831 656 HD11 ILE 88 3HD1 ILE 88 -4.341 -3.549 -24.113 657 HD12 ILE 88 1HD1 ILE 88 -4.106 -5.296 -24.146 658 HD13 ILE 88 2HD1 ILE 88 -2.756 -4.239 -23.744 659 H THR 89 H THR 89 -2.877 -3.272 -17.754 660 HA THR 89 HA THR 89 -3.595 -0.669 -16.824 661 HB THR 89 HB THR 89 -2.916 -2.356 -15.202 662 HG1 THR 89 HG1 THR 89 -1.825 0.121 -15.310 663 HG21 THR 89 3HG2 THR 89 -0.119 -2.247 -16.393 664 HG22 THR 89 1HG2 THR 89 -1.220 -3.618 -16.479 665 HG23 THR 89 2HG2 THR 89 -0.574 -3.106 -14.920 666 H ARG 90 H ARG 90 -0.715 -1.998 -18.453 667 HA ARG 90 HA ARG 90 1.158 -1.143 -19.345 668 HB2 ARG 90 1HB ARG 90 -0.400 -0.799 -21.192 669 HB3 ARG 90 2HB ARG 90 -0.865 0.775 -20.561 670 HG2 ARG 90 1HG ARG 90 0.671 1.000 -22.477 671 HG3 ARG 90 2HG ARG 90 1.397 1.650 -21.007 672 HD2 ARG 90 1HD ARG 90 2.637 -0.517 -20.736 673 HD3 ARG 90 2HD ARG 90 1.997 -1.030 -22.302 674 HE ARG 90 HE ARG 90 3.224 1.410 -22.754 675 HH11 ARG 90 1HH1 ARG 90 4.278 -1.718 -21.544 676 HH12 ARG 90 2HH1 ARG 90 5.895 -1.550 -22.150 677 HH21 ARG 90 1HH2 ARG 90 5.361 1.635 -23.528 678 HH22 ARG 90 2HH2 ARG 90 6.516 0.372 -23.252 679 H VAL 91 H VAL 91 -0.499 1.988 -18.893 680 HA VAL 91 HA VAL 91 1.784 3.495 -18.434 681 HB VAL 91 HB VAL 91 0.314 5.314 -17.702 682 HG11 VAL 91 1HG1 VAL 91 -0.986 3.707 -19.940 683 HG12 VAL 91 2HG1 VAL 91 0.362 4.833 -20.117 684 HG13 VAL 91 3HG1 VAL 91 -1.224 5.430 -19.636 685 HG21 VAL 91 3HG2 VAL 91 -1.179 4.101 -16.155 686 HG22 VAL 91 1HG2 VAL 91 -1.919 3.242 -17.509 687 HG23 VAL 91 2HG2 VAL 91 -2.131 4.988 -17.344 688 H HIS 92 H HIS 92 2.614 4.483 -16.575 689 HA HIS 92 HA HIS 92 2.926 2.820 -14.294 690 HB2 HIS 92 1HB HIS 92 3.687 5.750 -14.694 691 HB3 HIS 92 2HB HIS 92 4.212 4.751 -13.343 692 HD1 HIS 92 HD1 HIS 92 6.693 4.611 -13.802 693 HD2 HIS 92 HD2 HIS 92 4.445 3.695 -17.175 694 HE1 HIS 92 HE1 HIS 92 8.335 3.793 -15.510 695 HE2 HIS 92 HE2 HIS 92 6.970 3.350 -17.576 696 H LYS 93 H LYS 93 1.668 2.699 -12.527 697 HA LYS 93 HA LYS 93 -0.696 4.384 -12.305 698 HB2 LYS 93 1HB LYS 93 0.203 2.001 -10.627 699 HB3 LYS 93 2HB LYS 93 -1.358 2.803 -10.494 700 HG2 LYS 93 1HG LYS 93 -0.329 1.262 -12.904 701 HG3 LYS 93 2HG LYS 93 -1.570 0.729 -11.770 702 HD2 LYS 93 1HD LYS 93 -1.798 3.107 -13.671 703 HD3 LYS 93 2HD LYS 93 -2.575 1.537 -13.881 704 HE2 LYS 93 1HE LYS 93 -3.127 3.494 -11.617 705 HE3 LYS 93 2HE LYS 93 -4.166 3.222 -13.012 706 HZ1 LYS 93 3HZ LYS 93 -4.481 0.938 -12.277 707 HZ2 LYS 93 1HZ LYS 93 -4.956 2.028 -11.076 708 HZ3 LYS 93 2HZ LYS 93 -3.488 1.204 -10.936 709 H GLU 94 H GLU 94 1.061 6.140 -12.022 710 HA GLU 94 HA GLU 94 2.102 7.739 -10.860 711 HB2 GLU 94 1HB GLU 94 -0.122 7.084 -8.895 712 HB3 GLU 94 2HB GLU 94 0.812 8.581 -8.894 713 HG2 GLU 94 1HG GLU 94 -0.930 7.600 -11.182 714 HG3 GLU 94 2HG GLU 94 -1.397 8.838 -10.009 715 H TYR 95 H TYR 95 3.190 5.123 -10.534 716 HA TYR 95 HA TYR 95 3.880 4.551 -7.857 717 HB2 TYR 95 1HB TYR 95 3.894 2.731 -9.427 718 HB3 TYR 95 2HB TYR 95 4.985 3.580 -10.520 719 HD1 TYR 95 HD2 TYR 95 4.949 2.425 -6.918 720 HD2 TYR 95 HD1 TYR 95 7.240 2.853 -10.500 721 HE1 TYR 95 HE2 TYR 95 6.893 1.417 -5.809 722 HE2 TYR 95 HE1 TYR 95 9.180 1.850 -9.387 723 HH TYR 95 HH TYR 95 8.955 0.257 -6.397 724 H ASP 96 H ASP 96 5.662 6.153 -10.521 725 HA ASP 96 HA ASP 96 8.096 6.596 -9.342 726 HB2 ASP 96 1HB ASP 96 6.606 8.548 -11.149 727 HB3 ASP 96 2HB ASP 96 8.348 8.528 -10.875 728 H ALA 97 H ALA 97 5.184 8.609 -8.889 729 HA ALA 97 HA ALA 97 6.456 10.601 -7.228 730 HB1 ALA 97 3HB ALA 97 4.455 11.127 -8.578 731 HB2 ALA 97 1HB ALA 97 4.160 11.437 -6.863 732 HB3 ALA 97 2HB ALA 97 3.502 9.986 -7.629 733 H MET 98 H MET 98 4.197 7.929 -6.642 734 HA MET 98 HA MET 98 3.956 7.833 -3.901 735 HB2 MET 98 1HB MET 98 2.820 6.408 -5.662 736 HB3 MET 98 2HB MET 98 4.284 5.444 -5.769 737 HG2 MET 98 1HG MET 98 2.762 4.234 -4.439 738 HG3 MET 98 2HG MET 98 3.951 4.895 -3.314 739 HE1 MET 98 3HE MET 98 1.806 4.005 -1.615 740 HE2 MET 98 1HE MET 98 0.669 3.819 -2.952 741 HE3 MET 98 2HE MET 98 0.262 4.858 -1.588 742 H PHE 99 H PHE 99 6.487 6.539 -5.877 743 HA PHE 99 HA PHE 99 7.996 5.001 -4.079 744 HB2 PHE 99 1HB PHE 99 8.312 4.757 -6.483 745 HB3 PHE 99 2HB PHE 99 8.821 6.434 -6.643 746 HD1 PHE 99 HD2 PHE 99 9.837 3.141 -5.170 747 HD2 PHE 99 HD1 PHE 99 11.144 7.010 -6.452 748 HE1 PHE 99 HE2 PHE 99 12.185 2.453 -4.897 749 HE2 PHE 99 HE1 PHE 99 13.482 6.313 -6.168 750 HZ PHE 99 HZ PHE 99 14.006 4.029 -5.388 751 H GLU 100 H GLU 100 8.532 8.359 -5.190 752 HA GLU 100 HA GLU 100 10.781 8.808 -3.519 753 HB2 GLU 100 1HB GLU 100 9.050 10.870 -4.911 754 HB3 GLU 100 2HB GLU 100 10.635 11.158 -4.196 755 HG2 GLU 100 1HG GLU 100 11.444 9.277 -5.846 756 HG3 GLU 100 2HG GLU 100 9.942 9.621 -6.699 757 H ASP 101 H ASP 101 7.361 9.205 -3.016 758 HA ASP 101 HA ASP 101 7.521 10.872 -0.698 759 HB2 ASP 101 1HB ASP 101 5.424 10.683 -1.965 760 HB3 ASP 101 2HB ASP 101 5.326 8.961 -1.607 761 H ILE 102 H ILE 102 6.889 7.381 -1.071 762 HA ILE 102 HA ILE 102 7.005 6.641 1.612 763 HB ILE 102 HB ILE 102 7.637 4.921 -0.838 764 HG12 ILE 102 1HG1 ILE 102 5.033 5.326 0.714 765 HG13 ILE 102 2HG1 ILE 102 5.370 5.917 -0.906 766 HG21 ILE 102 1HG2 ILE 102 6.932 3.995 1.983 767 HG22 ILE 102 2HG2 ILE 102 8.501 3.824 1.197 768 HG23 ILE 102 3HG2 ILE 102 7.110 2.943 0.571 769 HD11 ILE 102 3HD1 ILE 102 3.927 3.997 -0.993 770 HD12 ILE 102 1HD1 ILE 102 5.082 3.033 -0.073 771 HD13 ILE 102 2HD1 ILE 102 5.488 3.586 -1.699 772 H ARG 103 H ARG 103 9.676 6.946 -0.732 773 HA ARG 103 HA ARG 103 11.654 5.685 0.921 774 HB2 ARG 103 1HB ARG 103 13.294 6.305 -0.686 775 HB3 ARG 103 2HB ARG 103 11.833 5.945 -1.580 776 HG2 ARG 103 1HG ARG 103 12.514 7.803 -2.717 777 HG3 ARG 103 2HG ARG 103 11.512 8.578 -1.494 778 HD2 ARG 103 1HD ARG 103 13.509 9.126 -0.176 779 HD3 ARG 103 2HD ARG 103 14.531 8.282 -1.347 780 HE ARG 103 HE ARG 103 12.870 10.531 -2.264 781 HH11 ARG 103 1HH1 ARG 103 16.101 9.323 -1.575 782 HH12 ARG 103 2HH1 ARG 103 16.889 10.620 -2.418 783 HH21 ARG 103 1HH2 ARG 103 13.916 12.208 -3.368 784 HH22 ARG 103 2HH2 ARG 103 15.650 12.256 -3.444 785 H ALA 104 H ALA 104 10.409 8.938 0.705 786 HA ALA 104 HA ALA 104 12.425 10.211 2.325 787 HB1 ALA 104 3HB ALA 104 11.087 11.495 0.691 788 HB2 ALA 104 1HB ALA 104 10.883 12.136 2.321 789 HB3 ALA 104 2HB ALA 104 9.616 11.141 1.600 790 H LYS 105 H LYS 105 9.093 8.986 2.865 791 HA LYS 105 HA LYS 105 8.852 9.359 5.571 792 HB2 LYS 105 1HB LYS 105 7.100 8.623 3.866 793 HB3 LYS 105 2HB LYS 105 7.745 6.998 4.007 794 HG2 LYS 105 1HG LYS 105 5.899 6.913 5.408 795 HG3 LYS 105 2HG LYS 105 7.194 7.244 6.552 796 HD2 LYS 105 1HD LYS 105 5.459 9.438 5.369 797 HD3 LYS 105 2HD LYS 105 4.996 8.554 6.820 798 HE2 LYS 105 1HE LYS 105 6.984 9.360 7.986 799 HE3 LYS 105 2HE LYS 105 7.548 10.175 6.527 800 HZ1 LYS 105 3HZ LYS 105 5.524 11.534 6.606 801 HZ2 LYS 105 1HZ LYS 105 6.501 11.742 7.966 802 HZ3 LYS 105 2HZ LYS 105 5.100 10.806 8.065 803 H LEU 106 H LEU 106 10.302 6.570 3.910 804 HA LEU 106 HA LEU 106 11.041 5.055 6.172 805 HB2 LEU 106 1HB LEU 106 11.922 5.099 3.306 806 HB3 LEU 106 2HB LEU 106 13.079 4.410 4.423 807 HG LEU 106 HG LEU 106 11.804 2.617 3.457 808 HD11 LEU 106 1HD1 LEU 106 10.893 1.512 5.437 809 HD12 LEU 106 2HD1 LEU 106 10.877 3.044 6.312 810 HD13 LEU 106 3HD1 LEU 106 12.409 2.330 5.805 811 HD21 LEU 106 3HD2 LEU 106 9.284 3.990 4.424 812 HD22 LEU 106 1HD2 LEU 106 9.381 2.411 3.636 813 HD23 LEU 106 2HD2 LEU 106 9.829 3.863 2.750 814 H HIS 107 H HIS 107 12.706 7.669 4.475 815 HA HIS 107 HA HIS 107 15.060 7.768 6.065 816 HB2 HIS 107 1HB HIS 107 14.636 8.824 3.775 817 HB3 HIS 107 2HB HIS 107 13.703 10.068 4.584 818 HD1 HIS 107 HD1 HIS 107 16.068 10.834 2.865 819 HD2 HIS 107 HD2 HIS 107 16.402 10.169 6.951 820 HE1 HIS 107 HE1 HIS 107 18.089 12.125 3.603 821 HE2 HIS 107 HE2 HIS 107 18.380 11.538 6.030 822 H ALA 108 H ALA 108 11.788 9.018 6.465 823 HA ALA 108 HA ALA 108 10.581 9.708 8.202 824 HB1 ALA 108 3HB ALA 108 11.367 9.577 10.509 825 HB2 ALA 108 1HB ALA 108 13.030 9.357 9.957 826 HB3 ALA 108 2HB ALA 108 11.818 8.118 9.623 827 H HIS 109 H HIS 109 12.927 11.333 6.783 828 HA HIS 109 HA HIS 109 12.039 13.945 7.520 829 HB2 HIS 109 1HB HIS 109 14.847 13.036 8.318 830 HB3 HIS 109 2HB HIS 109 14.517 14.728 7.961 831 HD1 HIS 109 HD1 HIS 109 14.418 12.302 10.680 832 HD2 HIS 109 HD2 HIS 109 12.510 15.884 9.780 833 HE1 HIS 109 HE1 HIS 109 13.429 13.100 12.838 834 HE2 HIS 109 HE2 HIS 109 12.124 15.162 12.231 835 HA PRO 110 HA PRO 110 13.431 14.496 3.176 836 HB2 PRO 110 1HB PRO 110 13.681 17.381 4.024 837 HB3 PRO 110 2HB PRO 110 12.850 16.689 2.621 838 HG2 PRO 110 1HG PRO 110 11.442 17.565 4.712 839 HG3 PRO 110 2HG PRO 110 10.963 16.073 3.872 840 HD2 PRO 110 1HD PRO 110 12.428 16.391 6.493 841 HD3 PRO 110 2HD PRO 110 11.141 15.242 6.055 842 H GLY 111 H GLY 111 15.082 15.650 6.041 843 HA2 GLY 111 1HA GLY 111 17.387 15.381 6.513 844 HA3 GLY 111 2HA GLY 111 17.740 15.380 4.788 845 H GLU 112 H GLU 112 16.153 17.631 4.123 846 HA GLU 112 HA GLU 112 17.854 19.846 4.847 847 HB2 GLU 112 1HB GLU 112 15.307 19.756 3.186 848 HB3 GLU 112 2HB GLU 112 16.462 21.085 3.218 849 HG2 GLU 112 1HG GLU 112 18.128 19.800 2.071 850 HG3 GLU 112 2HG GLU 112 17.242 18.294 2.320 851 HA PRO 113 HA PRO 113 15.091 21.088 8.296 852 HB2 PRO 113 1HB PRO 113 16.255 23.529 8.847 853 HB3 PRO 113 2HB PRO 113 16.933 21.985 9.383 854 HG2 PRO 113 1HG PRO 113 17.719 23.680 7.024 855 HG3 PRO 113 2HG PRO 113 18.756 22.813 8.178 856 HD2 PRO 113 1HD PRO 113 18.189 21.840 5.686 857 HD3 PRO 113 2HD PRO 113 18.485 20.773 7.071 858 H VAL 114 H VAL 114 13.091 21.518 7.558 859 HA VAL 114 HA VAL 114 12.539 22.912 5.184 860 HB VAL 114 HB VAL 114 11.170 21.025 6.074 861 HG11 VAL 114 1HG1 VAL 114 9.440 21.379 7.778 862 HG12 VAL 114 2HG1 VAL 114 10.001 23.032 8.034 863 HG13 VAL 114 3HG1 VAL 114 11.045 21.674 8.452 864 HG21 VAL 114 3HG2 VAL 114 9.561 23.537 5.467 865 HG22 VAL 114 1HG2 VAL 114 8.977 21.875 5.321 866 HG23 VAL 114 2HG2 VAL 114 10.274 22.448 4.274 867 H ASP 115 H ASP 115 11.381 24.849 4.794 868 HA ASP 115 HA ASP 115 12.503 27.015 6.261 869 HB2 ASP 115 1HB ASP 115 11.537 28.445 4.534 870 HB3 ASP 115 2HB ASP 115 12.278 27.032 3.795 871 H LEU 116 H LEU 116 9.322 25.556 6.133 872 HA LEU 116 HA LEU 116 7.885 27.659 7.376 873 HB2 LEU 116 1HB LEU 116 6.071 26.014 7.682 874 HB3 LEU 116 2HB LEU 116 6.719 26.013 6.054 875 HG LEU 116 HG LEU 116 8.146 23.945 6.929 876 HD11 LEU 116 1HD1 LEU 116 6.986 22.520 8.546 877 HD12 LEU 116 2HD1 LEU 116 5.804 23.799 8.843 878 HD13 LEU 116 3HD1 LEU 116 7.496 24.039 9.280 879 HD21 LEU 116 3HD2 LEU 116 6.499 23.826 5.107 880 HD22 LEU 116 1HD2 LEU 116 5.193 23.660 6.284 881 HD23 LEU 116 2HD2 LEU 116 6.418 22.398 6.133 882 H GLU 117 H GLU 117 10.256 25.713 8.677 883 HA GLU 117 HA GLU 117 9.283 26.105 11.440 884 HB2 GLU 117 1HB GLU 117 9.400 23.717 10.810 885 HB3 GLU 117 2HB GLU 117 11.085 23.909 10.336 886 HG2 GLU 117 1HG GLU 117 11.685 24.425 12.682 887 HG3 GLU 117 2HG GLU 117 9.998 24.214 13.158 888 H ARG 118 H ARG 118 12.089 26.175 9.267 889 HA ARG 118 HA ARG 118 14.008 26.779 11.328 890 HB2 ARG 118 1HB ARG 118 14.369 25.410 9.154 891 HB3 ARG 118 2HB ARG 118 14.489 26.949 8.321 892 HG2 ARG 118 1HG ARG 118 16.307 26.341 10.667 893 HG3 ARG 118 2HG ARG 118 16.670 25.690 9.072 894 HD2 ARG 118 1HD ARG 118 16.838 27.941 8.146 895 HD3 ARG 118 2HD ARG 118 16.328 28.646 9.684 896 HE ARG 118 HE ARG 118 18.558 27.119 10.267 897 HH11 ARG 118 1HH1 ARG 118 17.962 29.871 8.169 898 HH12 ARG 118 2HH1 ARG 118 19.556 30.522 8.375 899 HH21 ARG 118 1HH2 ARG 118 20.645 27.984 10.525 900 HH22 ARG 118 2HH2 ARG 118 21.076 29.452 9.706 901 H ILE 119 H ILE 119 12.214 28.685 8.959 902 HA ILE 119 HA ILE 119 13.669 31.135 9.305 903 HB ILE 119 HB ILE 119 10.817 30.661 8.305 904 HG12 ILE 119 1HG1 ILE 119 12.554 29.609 6.872 905 HG13 ILE 119 2HG1 ILE 119 11.773 30.942 6.031 906 HG21 ILE 119 1HG2 ILE 119 12.458 33.221 8.117 907 HG22 ILE 119 2HG2 ILE 119 10.997 32.981 9.076 908 HG23 ILE 119 3HG2 ILE 119 10.906 32.940 7.316 909 HD11 ILE 119 3HD1 ILE 119 13.721 32.370 6.482 910 HD12 ILE 119 1HD1 ILE 119 14.160 30.899 5.619 911 HD13 ILE 119 2HD1 ILE 119 14.501 31.036 7.340 912 H ILE 120 H ILE 120 11.194 29.486 11.096 913 HA ILE 120 HA ILE 120 10.338 31.838 12.604 914 HB ILE 120 HB ILE 120 9.398 28.930 12.758 915 HG12 ILE 120 1HG1 ILE 120 7.229 29.859 11.788 916 HG13 ILE 120 2HG1 ILE 120 8.056 31.383 11.508 917 HG21 ILE 120 1HG2 ILE 120 7.542 29.752 14.186 918 HG22 ILE 120 2HG2 ILE 120 8.265 31.362 14.186 919 HG23 ILE 120 3HG2 ILE 120 9.115 30.014 14.943 920 HD11 ILE 120 3HD1 ILE 120 7.823 30.017 9.502 921 HD12 ILE 120 1HD1 ILE 120 8.795 28.749 10.246 922 HD13 ILE 120 2HD1 ILE 120 9.511 30.325 9.899 923 H ARG 121 H ARG 121 12.418 32.242 13.595 924 HA ARG 121 HA ARG 121 12.806 30.687 16.083 925 HB2 ARG 121 1HB ARG 121 15.044 31.628 14.232 926 HB3 ARG 121 2HB ARG 121 15.310 31.035 15.871 927 HG2 ARG 121 1HG ARG 121 14.308 28.842 15.210 928 HG3 ARG 121 2HG ARG 121 14.139 29.442 13.561 929 HD2 ARG 121 1HD ARG 121 16.584 29.666 13.380 930 HD3 ARG 121 2HD ARG 121 16.770 29.092 15.044 931 HE ARG 121 HE ARG 121 15.286 27.176 13.693 932 HH11 ARG 121 1HH1 ARG 121 18.546 28.456 13.359 933 HH12 ARG 121 2HH1 ARG 121 19.197 26.944 12.807 934 HH21 ARG 121 1HH2 ARG 121 16.141 25.245 12.937 935 HH22 ARG 121 2HH2 ARG 121 17.828 25.132 12.542 936 H HIS 122 H HIS 122 13.320 33.815 14.412 937 HA HIS 122 HA HIS 122 12.582 35.280 16.812 938 HB2 HIS 122 1HB HIS 122 15.398 35.464 15.675 939 HB3 HIS 122 2HB HIS 122 14.675 36.882 16.423 940 HD1 HIS 122 HD1 HIS 122 17.077 34.659 17.346 941 HD2 HIS 122 HD2 HIS 122 13.475 35.685 19.150 942 HE1 HIS 122 HE1 HIS 122 17.347 34.104 19.771 943 HE2 HIS 122 HE2 HIS 122 15.244 34.921 20.865 944 H GLU 123 H GLU 123 11.314 36.946 16.246 945 HA GLU 123 HA GLU 123 11.889 38.667 14.016 946 HB2 GLU 123 1HB GLU 123 9.443 38.441 13.107 947 HB3 GLU 123 2HB GLU 123 10.633 37.247 12.633 948 HG2 GLU 123 1HG GLU 123 8.612 36.072 13.063 949 HG3 GLU 123 2HG GLU 123 9.718 35.695 14.379 950 H GLY 124 H GLY 124 10.788 40.688 14.124 951 HA2 GLY 124 1HA GLY 124 8.723 41.547 15.693 952 HA3 GLY 124 2HA GLY 124 10.077 41.495 16.816 953 H SER 125 H SER 125 12.015 42.737 16.251 954 HA SER 125 HA SER 125 11.396 45.336 15.086 955 HB2 SER 125 1HB SER 125 13.969 44.292 16.366 956 HB3 SER 125 2HB SER 125 13.649 45.972 15.925 957 HG SER 125 HG SER 125 12.503 46.195 17.673 Start of MODEL 10 1 H1 GLN 1 1H GLN 1 -16.835 11.492 -2.895 2 H2 GLN 1 2H GLN 1 -16.795 10.013 -3.705 3 H3 GLN 1 3H GLN 1 -15.786 11.271 -4.197 4 HA GLN 1 HA GLN 1 -14.514 11.174 -2.230 5 HB2 GLN 1 1HB GLN 1 -14.967 9.613 -0.404 6 HB3 GLN 1 2HB GLN 1 -16.370 10.634 -0.668 7 HG2 GLN 1 1HG GLN 1 -16.248 7.866 -1.885 8 HG3 GLN 1 2HG GLN 1 -16.691 8.087 -0.198 9 HE21 GLN 1 2HE2 GLN 1 -18.733 7.247 -0.537 10 HE22 GLN 1 1HE2 GLN 1 -19.978 8.117 -1.356 11 H GLY 2 H GLY 2 -14.965 9.641 -4.928 12 HA2 GLY 2 1HA GLY 2 -14.381 6.908 -4.636 13 HA3 GLY 2 2HA GLY 2 -14.310 7.824 -6.123 14 H HIS 3 H HIS 3 -12.294 8.197 -7.041 15 HA HIS 3 HA HIS 3 -10.028 6.878 -5.808 16 HB2 HIS 3 1HB HIS 3 -10.484 6.744 -8.290 17 HB3 HIS 3 2HB HIS 3 -10.031 8.441 -8.425 18 HD1 HIS 3 HD1 HIS 3 -7.710 8.610 -9.313 19 HD2 HIS 3 HD2 HIS 3 -8.134 5.333 -6.793 20 HE1 HIS 3 HE1 HIS 3 -5.444 7.537 -9.214 21 HE2 HIS 3 HE2 HIS 3 -5.710 5.576 -7.661 22 H MET 4 H MET 4 -9.612 8.059 -3.992 23 HA MET 4 HA MET 4 -8.537 10.811 -4.301 24 HB2 MET 4 1HB MET 4 -10.752 10.820 -3.143 25 HB3 MET 4 2HB MET 4 -10.135 9.689 -1.948 26 HG2 MET 4 1HG MET 4 -8.470 11.409 -1.235 27 HG3 MET 4 2HG MET 4 -9.191 12.535 -2.385 28 HE1 MET 4 3HE MET 4 -11.418 10.861 1.318 29 HE2 MET 4 1HE MET 4 -9.747 10.459 0.925 30 HE3 MET 4 2HE MET 4 -11.062 9.870 -0.096 31 H PHE 5 H PHE 5 -6.530 11.080 -3.513 32 HA PHE 5 HA PHE 5 -5.268 8.937 -1.907 33 HB2 PHE 5 1HB PHE 5 -4.335 9.036 -4.188 34 HB3 PHE 5 2HB PHE 5 -4.013 10.756 -4.011 35 HD1 PHE 5 HD1 PHE 5 -3.121 7.418 -2.564 36 HD2 PHE 5 HD2 PHE 5 -1.908 11.479 -3.158 37 HE1 PHE 5 HE1 PHE 5 -0.908 6.907 -1.623 38 HE2 PHE 5 HE2 PHE 5 0.299 10.948 -2.226 39 HZ PHE 5 HZ PHE 5 0.802 8.667 -1.457 40 H GLU 6 H GLU 6 -3.896 9.551 -0.272 41 HA GLU 6 HA GLU 6 -3.382 12.324 0.428 42 HB2 GLU 6 1HB GLU 6 -4.290 11.964 2.751 43 HB3 GLU 6 2HB GLU 6 -5.556 11.901 1.525 44 HG2 GLU 6 1HG GLU 6 -5.401 9.391 1.589 45 HG3 GLU 6 2HG GLU 6 -4.264 9.537 2.925 46 HA PRO 7 HA PRO 7 0.446 10.328 1.853 47 HB2 PRO 7 1HB PRO 7 0.423 12.110 4.277 48 HB3 PRO 7 2HB PRO 7 1.670 11.918 3.035 49 HG2 PRO 7 1HG PRO 7 0.127 14.116 3.095 50 HG3 PRO 7 2HG PRO 7 0.602 13.380 1.547 51 HD2 PRO 7 1HD PRO 7 -2.029 13.166 3.022 52 HD3 PRO 7 2HD PRO 7 -1.729 13.395 1.282 53 H GLY 8 H GLY 8 -0.051 8.268 2.488 54 HA2 GLY 8 1HA GLY 8 0.166 6.799 4.421 55 HA3 GLY 8 2HA GLY 8 -1.016 7.785 5.264 56 H HIS 9 H HIS 9 -2.392 7.755 2.338 57 HA HIS 9 HA HIS 9 -3.621 5.125 2.367 58 HB2 HIS 9 1HB HIS 9 -4.756 5.981 4.302 59 HB3 HIS 9 2HB HIS 9 -5.051 7.535 3.542 60 HD1 HIS 9 HD1 HIS 9 -7.296 7.841 2.522 61 HD2 HIS 9 HD2 HIS 9 -6.391 3.827 3.104 62 HE1 HIS 9 HE1 HIS 9 -9.378 6.593 1.926 63 HE2 HIS 9 HE2 HIS 9 -8.884 4.210 2.557 64 H LEU 10 H LEU 10 -5.018 4.737 0.663 65 HA LEU 10 HA LEU 10 -5.649 6.771 -1.329 66 HB2 LEU 10 1HB LEU 10 -3.631 5.701 -2.201 67 HB3 LEU 10 2HB LEU 10 -4.241 4.105 -1.800 68 HG LEU 10 HG LEU 10 -5.991 4.337 -3.577 69 HD11 LEU 10 1HD1 LEU 10 -5.837 6.150 -5.246 70 HD12 LEU 10 2HD1 LEU 10 -4.610 6.950 -4.263 71 HD13 LEU 10 3HD1 LEU 10 -6.251 6.762 -3.643 72 HD21 LEU 10 3HD2 LEU 10 -3.148 4.725 -4.575 73 HD22 LEU 10 1HD2 LEU 10 -4.493 4.052 -5.502 74 HD23 LEU 10 2HD2 LEU 10 -3.883 3.195 -4.089 75 H HIS 11 H HIS 11 -7.666 6.418 -2.200 76 HA HIS 11 HA HIS 11 -9.084 3.864 -1.683 77 HB2 HIS 11 1HB HIS 11 -10.092 5.660 -0.326 78 HB3 HIS 11 2HB HIS 11 -10.243 6.692 -1.742 79 HD1 HIS 11 HD1 HIS 11 -12.695 6.895 -1.962 80 HD2 HIS 11 HD2 HIS 11 -11.587 2.950 -1.436 81 HE1 HIS 11 HE1 HIS 11 -14.794 5.578 -2.271 82 HE2 HIS 11 HE2 HIS 11 -14.135 3.214 -1.742 83 H LEU 12 H LEU 12 -10.027 2.940 -3.478 84 HA LEU 12 HA LEU 12 -10.134 4.449 -5.989 85 HB2 LEU 12 1HB LEU 12 -9.272 2.406 -7.222 86 HB3 LEU 12 2HB LEU 12 -8.082 3.330 -6.336 87 HG LEU 12 HG LEU 12 -9.266 0.759 -5.226 88 HD11 LEU 12 1HD1 LEU 12 -8.260 0.211 -7.394 89 HD12 LEU 12 2HD1 LEU 12 -7.295 -0.448 -6.076 90 HD13 LEU 12 3HD1 LEU 12 -6.756 1.009 -6.923 91 HD21 LEU 12 3HD2 LEU 12 -7.217 0.704 -3.861 92 HD22 LEU 12 1HD2 LEU 12 -8.124 2.190 -3.583 93 HD23 LEU 12 2HD2 LEU 12 -6.674 2.218 -4.591 94 H VAL 13 H VAL 13 -12.175 4.420 -6.539 95 HA VAL 13 HA VAL 13 -13.716 1.895 -6.650 96 HB VAL 13 HB VAL 13 -15.686 3.252 -7.200 97 HG11 VAL 13 1HG1 VAL 13 -15.963 4.563 -5.116 98 HG12 VAL 13 2HG1 VAL 13 -14.230 4.439 -4.808 99 HG13 VAL 13 3HG1 VAL 13 -15.233 2.986 -4.806 100 HG21 VAL 13 3HG2 VAL 13 -13.863 5.692 -7.126 101 HG22 VAL 13 1HG2 VAL 13 -15.618 5.734 -7.308 102 HG23 VAL 13 2HG2 VAL 13 -14.618 5.005 -8.565 103 H SER 14 H SER 14 -15.042 1.882 -9.078 104 HA SER 14 HA SER 14 -12.881 2.075 -11.030 105 HB2 SER 14 1HB SER 14 -14.330 0.072 -11.091 106 HB3 SER 14 2HB SER 14 -15.767 1.063 -11.219 107 HG SER 14 HG SER 14 -13.915 1.588 -13.175 108 H LEU 15 H LEU 15 -12.576 4.138 -11.603 109 HA LEU 15 HA LEU 15 -14.449 6.233 -11.248 110 HB2 LEU 15 1HB LEU 15 -12.660 7.662 -12.274 111 HB3 LEU 15 2HB LEU 15 -12.114 6.666 -10.940 112 HG LEU 15 HG LEU 15 -11.360 5.017 -12.938 113 HD11 LEU 15 1HD1 LEU 15 -10.470 6.216 -14.878 114 HD12 LEU 15 2HD1 LEU 15 -11.184 7.718 -14.289 115 HD13 LEU 15 3HD1 LEU 15 -12.223 6.379 -14.778 116 HD21 LEU 15 3HD2 LEU 15 -9.096 5.937 -12.801 117 HD22 LEU 15 1HD2 LEU 15 -9.859 5.916 -11.213 118 HD23 LEU 15 2HD2 LEU 15 -9.725 7.432 -12.105 119 HA PRO 16 HA PRO 16 -16.655 6.186 -15.178 120 HB2 PRO 16 1HB PRO 16 -17.320 8.871 -15.380 121 HB3 PRO 16 2HB PRO 16 -18.172 7.711 -14.351 122 HG2 PRO 16 1HG PRO 16 -16.027 9.688 -13.600 123 HG3 PRO 16 2HG PRO 16 -17.533 9.288 -12.742 124 HD2 PRO 16 1HD PRO 16 -15.145 8.273 -11.972 125 HD3 PRO 16 2HD PRO 16 -16.639 7.319 -11.835 126 H GLY 17 H GLY 17 -14.897 5.603 -16.418 127 HA2 GLY 17 1HA GLY 17 -14.004 7.047 -18.534 128 HA3 GLY 17 2HA GLY 17 -12.845 7.441 -17.268 129 H LEU 18 H LEU 18 -12.865 4.918 -15.941 130 HA LEU 18 HA LEU 18 -11.721 3.068 -17.966 131 HB2 LEU 18 1HB LEU 18 -10.845 3.492 -15.080 132 HB3 LEU 18 2HB LEU 18 -10.263 2.189 -16.106 133 HG LEU 18 HG LEU 18 -9.786 5.162 -16.564 134 HD11 LEU 18 1HD1 LEU 18 -8.466 4.281 -14.696 135 HD12 LEU 18 2HD1 LEU 18 -7.434 4.661 -16.072 136 HD13 LEU 18 3HD1 LEU 18 -7.850 2.981 -15.722 137 HD21 LEU 18 3HD2 LEU 18 -8.304 4.462 -18.418 138 HD22 LEU 18 1HD2 LEU 18 -9.978 3.998 -18.716 139 HD23 LEU 18 2HD2 LEU 18 -8.806 2.786 -18.192 140 H ASP 19 H ASP 19 -13.757 2.138 -18.246 141 HA ASP 19 HA ASP 19 -15.225 0.469 -18.117 142 HB2 ASP 19 1HB ASP 19 -13.373 -0.533 -15.929 143 HB3 ASP 19 2HB ASP 19 -14.783 -1.452 -16.452 144 H GLN 20 H GLN 20 -16.990 -0.517 -16.920 145 HA GLN 20 HA GLN 20 -17.872 1.011 -14.551 146 HB2 GLN 20 1HB GLN 20 -20.231 0.697 -15.412 147 HB3 GLN 20 2HB GLN 20 -19.234 1.787 -16.364 148 HG2 GLN 20 1HG GLN 20 -18.924 0.068 -18.082 149 HG3 GLN 20 2HG GLN 20 -19.812 -1.103 -17.111 150 HE21 GLN 20 2HE2 GLN 20 -22.071 -0.878 -16.900 151 HE22 GLN 20 1HE2 GLN 20 -22.998 0.084 -17.999 152 H GLN 21 H GLN 21 -17.252 -0.456 -13.049 153 HA GLN 21 HA GLN 21 -18.968 -2.758 -12.650 154 HB2 GLN 21 1HB GLN 21 -17.134 -4.386 -12.362 155 HB3 GLN 21 2HB GLN 21 -17.160 -3.757 -14.007 156 HG2 GLN 21 1HG GLN 21 -15.320 -2.145 -13.294 157 HG3 GLN 21 2HG GLN 21 -15.218 -3.061 -11.790 158 HE21 GLN 21 2HE2 GLN 21 -14.456 -5.246 -11.884 159 HE22 GLN 21 1HE2 GLN 21 -13.517 -5.805 -13.220 160 H ASP 22 H ASP 22 -18.685 -3.632 -10.433 161 HA ASP 22 HA ASP 22 -18.374 -1.397 -8.603 162 HB2 ASP 22 1HB ASP 22 -20.404 -2.912 -8.642 163 HB3 ASP 22 2HB ASP 22 -19.394 -4.220 -8.039 164 H ILE 23 H ILE 23 -15.839 -1.841 -9.295 165 HA ILE 23 HA ILE 23 -14.603 -3.482 -7.199 166 HB ILE 23 HB ILE 23 -12.450 -3.028 -8.182 167 HG12 ILE 23 1HG1 ILE 23 -12.593 -1.683 -10.579 168 HG13 ILE 23 2HG1 ILE 23 -13.787 -0.790 -9.655 169 HG21 ILE 23 1HG2 ILE 23 -13.726 -4.815 -9.208 170 HG22 ILE 23 2HG2 ILE 23 -12.743 -4.020 -10.434 171 HG23 ILE 23 3HG2 ILE 23 -14.472 -3.685 -10.337 172 HD11 ILE 23 3HD1 ILE 23 -10.889 -1.166 -8.904 173 HD12 ILE 23 1HD1 ILE 23 -12.084 -0.251 -7.979 174 HD13 ILE 23 2HD1 ILE 23 -11.621 0.280 -9.594 175 H ASN 24 H ASN 24 -14.211 -2.672 -5.283 176 HA ASN 24 HA ASN 24 -13.773 0.225 -4.852 177 HB2 ASN 24 1HB ASN 24 -15.761 -1.382 -3.166 178 HB3 ASN 24 2HB ASN 24 -15.394 0.338 -3.055 179 HD21 ASN 24 2HD2 ASN 24 -17.104 -2.104 -4.852 180 HD22 ASN 24 1HD2 ASN 24 -18.099 -1.009 -5.746 181 H ILE 25 H ILE 25 -11.989 0.462 -3.551 182 HA ILE 25 HA ILE 25 -11.131 -1.711 -1.764 183 HB ILE 25 HB ILE 25 -9.200 -0.535 -3.818 184 HG12 ILE 25 1HG1 ILE 25 -10.596 -3.236 -4.002 185 HG13 ILE 25 2HG1 ILE 25 -10.890 -1.863 -5.055 186 HG21 ILE 25 1HG2 ILE 25 -7.702 -2.384 -3.131 187 HG22 ILE 25 2HG2 ILE 25 -8.919 -2.949 -1.983 188 HG23 ILE 25 3HG2 ILE 25 -8.149 -1.378 -1.750 189 HD11 ILE 25 3HD1 ILE 25 -9.517 -3.510 -6.137 190 HD12 ILE 25 1HD1 ILE 25 -8.329 -3.430 -4.840 191 HD13 ILE 25 2HD1 ILE 25 -8.595 -2.030 -5.886 192 H HIS 26 H HIS 26 -10.108 -0.917 -0.006 193 HA HIS 26 HA HIS 26 -9.193 1.893 0.130 194 HB2 HIS 26 1HB HIS 26 -9.534 -0.010 2.495 195 HB3 HIS 26 2HB HIS 26 -9.417 1.744 2.524 196 HD1 HIS 26 HD1 HIS 26 -11.722 -0.261 3.690 197 HD2 HIS 26 HD2 HIS 26 -11.985 2.302 0.446 198 HE1 HIS 26 HE1 HIS 26 -14.166 0.182 3.392 199 HE2 HIS 26 HE2 HIS 26 -14.305 1.583 1.306 200 H ILE 27 H ILE 27 -6.964 2.165 0.281 201 HA ILE 27 HA ILE 27 -5.241 -0.143 0.964 202 HB ILE 27 HB ILE 27 -4.656 1.923 -1.218 203 HG12 ILE 27 1HG1 ILE 27 -5.194 -1.083 -1.437 204 HG13 ILE 27 2HG1 ILE 27 -6.244 0.205 -2.020 205 HG21 ILE 27 1HG2 ILE 27 -2.541 0.675 -1.622 206 HG22 ILE 27 2HG2 ILE 27 -2.899 -0.375 -0.248 207 HG23 ILE 27 3HG2 ILE 27 -2.595 1.344 0.010 208 HD11 ILE 27 3HD1 ILE 27 -5.067 -0.830 -3.852 209 HD12 ILE 27 1HD1 ILE 27 -3.508 -0.500 -3.096 210 HD13 ILE 27 2HD1 ILE 27 -4.518 0.834 -3.664 211 H ARG 28 H ARG 28 -4.495 0.415 2.928 212 HA ARG 28 HA ARG 28 -3.490 3.142 3.447 213 HB2 ARG 28 1HB ARG 28 -3.807 0.771 5.341 214 HB3 ARG 28 2HB ARG 28 -3.250 2.377 5.803 215 HG2 ARG 28 1HG ARG 28 -5.449 3.322 5.287 216 HG3 ARG 28 2HG ARG 28 -6.019 1.749 4.719 217 HD2 ARG 28 1HD ARG 28 -5.676 0.813 6.981 218 HD3 ARG 28 2HD ARG 28 -5.114 2.387 7.554 219 HE ARG 28 HE ARG 28 -7.543 3.024 6.645 220 HH11 ARG 28 1HH1 ARG 28 -6.616 0.229 8.575 221 HH12 ARG 28 2HH1 ARG 28 -8.067 0.256 9.526 222 HH21 ARG 28 1HH2 ARG 28 -9.452 3.011 7.874 223 HH22 ARG 28 2HH2 ARG 28 -9.675 1.829 9.120 224 H TYR 29 H TYR 29 -1.307 3.513 3.558 225 HA TYR 29 HA TYR 29 0.479 1.210 4.047 226 HB2 TYR 29 1HB TYR 29 2.285 2.326 2.808 227 HB3 TYR 29 2HB TYR 29 0.920 1.999 1.761 228 HD1 TYR 29 HD2 TYR 29 -0.566 3.960 1.022 229 HD2 TYR 29 HD1 TYR 29 3.147 4.562 3.063 230 HE1 TYR 29 HE2 TYR 29 -0.497 6.289 0.230 231 HE2 TYR 29 HE1 TYR 29 3.207 6.884 2.269 232 HH TYR 29 HH TYR 29 2.261 8.222 0.397 233 H GLU 30 H GLU 30 1.293 1.344 5.983 234 HA GLU 30 HA GLU 30 1.248 3.886 7.504 235 HB2 GLU 30 1HB GLU 30 0.533 1.077 8.492 236 HB3 GLU 30 2HB GLU 30 0.485 2.557 9.447 237 HG2 GLU 30 1HG GLU 30 -1.399 3.394 8.191 238 HG3 GLU 30 2HG GLU 30 -1.270 2.087 7.015 239 H VAL 31 H VAL 31 3.350 4.361 7.993 240 HA VAL 31 HA VAL 31 5.397 2.305 7.914 241 HB VAL 31 HB VAL 31 5.613 5.290 8.513 242 HG11 VAL 31 1HG1 VAL 31 8.063 5.012 8.106 243 HG12 VAL 31 2HG1 VAL 31 7.833 3.264 8.009 244 HG13 VAL 31 3HG1 VAL 31 7.520 4.111 9.523 245 HG21 VAL 31 3HG2 VAL 31 6.191 3.714 5.969 246 HG22 VAL 31 1HG2 VAL 31 6.496 5.440 6.185 247 HG23 VAL 31 2HG2 VAL 31 4.843 4.825 6.219 248 H ARG 32 H ARG 32 6.328 1.347 9.612 249 HA ARG 32 HA ARG 32 5.985 2.304 12.359 250 HB2 ARG 32 1HB ARG 32 3.977 0.834 11.863 251 HB3 ARG 32 2HB ARG 32 5.080 -0.489 11.500 252 HG2 ARG 32 1HG ARG 32 5.963 -0.060 13.954 253 HG3 ARG 32 2HG ARG 32 4.419 0.763 14.170 254 HD2 ARG 32 1HD ARG 32 3.222 -1.272 13.591 255 HD3 ARG 32 2HD ARG 32 4.748 -2.072 13.189 256 HE ARG 32 HE ARG 32 4.372 -1.113 15.935 257 HH11 ARG 32 1HH1 ARG 32 4.548 -3.842 13.723 258 HH12 ARG 32 2HH1 ARG 32 4.701 -5.014 14.994 259 HH21 ARG 32 1HH2 ARG 32 4.588 -2.680 17.595 260 HH22 ARG 32 2HH2 ARG 32 4.719 -4.362 17.182 261 H GLN 33 H GLN 33 7.391 1.017 13.849 262 HA GLN 33 HA GLN 33 9.764 -0.032 12.456 263 HB2 GLN 33 1HB GLN 33 9.680 1.111 15.279 264 HB3 GLN 33 2HB GLN 33 11.110 0.724 14.322 265 HG2 GLN 33 1HG GLN 33 9.132 2.944 13.706 266 HG3 GLN 33 2HG GLN 33 10.691 3.153 14.497 267 HE21 GLN 33 2HE2 GLN 33 9.065 2.714 11.470 268 HE22 GLN 33 1HE2 GLN 33 10.449 2.901 10.459 269 H ASN 34 H ASN 34 9.935 -2.156 12.574 270 HA ASN 34 HA ASN 34 9.023 -3.698 14.905 271 HB2 ASN 34 1HB ASN 34 9.331 -5.719 13.604 272 HB3 ASN 34 2HB ASN 34 8.430 -4.576 12.629 273 HD21 ASN 34 2HD2 ASN 34 10.856 -3.095 11.731 274 HD22 ASN 34 1HD2 ASN 34 11.636 -4.139 10.622 275 H ALA 35 H ALA 35 10.425 -4.985 16.139 276 HA ALA 35 HA ALA 35 13.075 -3.974 16.550 277 HB1 ALA 35 3HB ALA 35 11.679 -4.763 18.412 278 HB2 ALA 35 1HB ALA 35 13.208 -5.643 18.353 279 HB3 ALA 35 2HB ALA 35 11.725 -6.404 17.768 280 H GLU 36 H GLU 36 11.783 -6.450 14.573 281 HA GLU 36 HA GLU 36 14.013 -8.214 14.411 282 HB2 GLU 36 1HB GLU 36 11.833 -9.052 13.872 283 HB3 GLU 36 2HB GLU 36 11.542 -7.765 12.710 284 HG2 GLU 36 1HG GLU 36 13.224 -8.729 11.199 285 HG3 GLU 36 2HG GLU 36 13.548 -10.014 12.364 286 H SER 37 H SER 37 12.828 -5.654 12.171 287 HA SER 37 HA SER 37 15.363 -5.855 10.631 288 HB2 SER 37 1HB SER 37 13.423 -6.916 9.464 289 HB3 SER 37 2HB SER 37 12.555 -5.384 9.525 290 HG SER 37 HG SER 37 15.087 -5.679 8.285 291 H GLY 38 H GLY 38 13.692 -3.827 12.631 292 HA2 GLY 38 1HA GLY 38 14.258 -1.619 13.167 293 HA3 GLY 38 2HA GLY 38 15.048 -1.435 11.604 294 H ALA 39 H ALA 39 13.982 -0.136 10.225 295 HA ALA 39 HA ALA 39 11.216 0.609 10.559 296 HB1 ALA 39 3HB ALA 39 13.134 1.237 8.282 297 HB2 ALA 39 1HB ALA 39 12.854 2.229 9.713 298 HB3 ALA 39 2HB ALA 39 11.558 1.990 8.541 299 H TYR 40 H TYR 40 9.458 -0.011 9.381 300 HA TYR 40 HA TYR 40 9.671 -1.346 6.821 301 HB2 TYR 40 1HB TYR 40 8.608 -3.394 7.315 302 HB3 TYR 40 2HB TYR 40 9.697 -3.201 8.676 303 HD1 TYR 40 HD1 TYR 40 8.681 -2.359 10.926 304 HD2 TYR 40 HD2 TYR 40 6.257 -3.715 7.663 305 HE1 TYR 40 HE1 TYR 40 6.793 -2.740 12.458 306 HE2 TYR 40 HE2 TYR 40 4.394 -4.073 9.201 307 HH TYR 40 HH TYR 40 3.954 -4.451 11.490 308 H VAL 41 H VAL 41 7.238 -1.776 6.040 309 HA VAL 41 HA VAL 41 5.435 0.297 7.150 310 HB VAL 41 HB VAL 41 5.534 -0.385 4.177 311 HG11 VAL 41 1HG1 VAL 41 3.381 0.511 4.991 312 HG12 VAL 41 2HG1 VAL 41 4.170 1.649 3.899 313 HG13 VAL 41 3HG1 VAL 41 4.205 1.930 5.643 314 HG21 VAL 41 3HG2 VAL 41 6.682 1.748 3.760 315 HG22 VAL 41 1HG2 VAL 41 7.672 0.684 4.760 316 HG23 VAL 41 2HG2 VAL 41 6.811 2.034 5.498 317 H HIS 42 H HIS 42 3.640 -0.595 7.876 318 HA HIS 42 HA HIS 42 2.677 -3.230 7.148 319 HB2 HIS 42 1HB HIS 42 2.468 -2.656 9.480 320 HB3 HIS 42 2HB HIS 42 1.770 -1.084 9.116 321 HD1 HIS 42 HD1 HIS 42 0.867 -4.696 9.471 322 HD2 HIS 42 HD2 HIS 42 -1.013 -1.089 8.632 323 HE1 HIS 42 HE1 HIS 42 -1.591 -5.161 9.617 324 HE2 HIS 42 HE2 HIS 42 -2.694 -2.931 9.259 325 H PHE 43 H PHE 43 1.298 -3.511 5.419 326 HA PHE 43 HA PHE 43 -0.242 -1.208 4.393 327 HB2 PHE 43 1HB PHE 43 0.428 -3.834 2.984 328 HB3 PHE 43 2HB PHE 43 -0.274 -2.388 2.257 329 HD1 PHE 43 HD1 PHE 43 1.139 -0.266 2.160 330 HD2 PHE 43 HD2 PHE 43 2.811 -4.068 3.154 331 HE1 PHE 43 HE1 PHE 43 3.387 0.577 1.654 332 HE2 PHE 43 HE2 PHE 43 5.056 -3.215 2.644 333 HZ PHE 43 HZ PHE 43 5.349 -0.891 1.901 334 H ASP 44 H ASP 44 -2.399 -1.248 4.603 335 HA ASP 44 HA ASP 44 -3.791 -3.750 5.401 336 HB2 ASP 44 1HB ASP 44 -3.459 -2.310 7.363 337 HB3 ASP 44 2HB ASP 44 -4.118 -0.921 6.504 338 H MET 45 H MET 45 -5.200 -4.264 3.802 339 HA MET 45 HA MET 45 -6.686 -2.129 2.390 340 HB2 MET 45 1HB MET 45 -5.861 -4.837 1.244 341 HB3 MET 45 2HB MET 45 -6.766 -3.589 0.397 342 HG2 MET 45 1HG MET 45 -4.685 -2.103 0.789 343 HG3 MET 45 2HG MET 45 -3.847 -3.608 1.154 344 HE1 MET 45 3HE MET 45 -4.477 -5.493 -2.365 345 HE2 MET 45 1HE MET 45 -5.534 -5.541 -0.951 346 HE3 MET 45 2HE MET 45 -3.787 -5.704 -0.751 347 H ASP 46 H ASP 46 -8.849 -2.429 2.029 348 HA ASP 46 HA ASP 46 -10.236 -4.929 2.251 349 HB2 ASP 46 1HB ASP 46 -11.708 -4.472 4.138 350 HB3 ASP 46 2HB ASP 46 -10.048 -4.359 4.703 351 H GLY 47 H GLY 47 -12.637 -4.603 1.854 352 HA2 GLY 47 1HA GLY 47 -14.016 -2.288 1.344 353 HA3 GLY 47 2HA GLY 47 -13.109 -2.556 -0.147 354 H GLU 48 H GLU 48 -14.987 -3.039 -1.442 355 HA GLU 48 HA GLU 48 -15.628 -5.849 -1.267 356 HB2 GLU 48 1HB GLU 48 -18.073 -5.572 -1.441 357 HB3 GLU 48 2HB GLU 48 -17.435 -5.047 0.112 358 HG2 GLU 48 1HG GLU 48 -17.602 -2.682 -0.651 359 HG3 GLU 48 2HG GLU 48 -18.311 -3.241 -2.165 360 H ILE 49 H ILE 49 -14.814 -6.264 -3.139 361 HA ILE 49 HA ILE 49 -15.642 -4.950 -5.606 362 HB ILE 49 HB ILE 49 -13.792 -7.343 -5.233 363 HG12 ILE 49 1HG1 ILE 49 -13.040 -4.407 -5.691 364 HG13 ILE 49 2HG1 ILE 49 -13.043 -5.178 -4.109 365 HG21 ILE 49 1HG2 ILE 49 -14.267 -5.569 -7.671 366 HG22 ILE 49 2HG2 ILE 49 -14.666 -7.281 -7.526 367 HG23 ILE 49 3HG2 ILE 49 -12.978 -6.772 -7.541 368 HD11 ILE 49 3HD1 ILE 49 -10.819 -5.019 -5.085 369 HD12 ILE 49 1HD1 ILE 49 -11.333 -6.024 -6.438 370 HD13 ILE 49 2HD1 ILE 49 -11.300 -6.688 -4.800 371 H ASP 50 H ASP 50 -17.110 -5.627 -7.015 372 HA ASP 50 HA ASP 50 -18.959 -6.576 -7.844 373 HB2 ASP 50 1HB ASP 50 -17.320 -8.477 -8.345 374 HB3 ASP 50 2HB ASP 50 -17.850 -9.249 -6.859 375 H GLY 51 H GLY 51 -18.751 -5.603 -5.090 376 HA2 GLY 51 1HA GLY 51 -20.179 -5.306 -3.310 377 HA3 GLY 51 2HA GLY 51 -21.217 -6.575 -3.943 378 H LYS 52 H LYS 52 -18.143 -7.857 -3.846 379 HA LYS 52 HA LYS 52 -18.784 -9.511 -1.586 380 HB2 LYS 52 1HB LYS 52 -16.495 -9.603 -3.566 381 HB3 LYS 52 2HB LYS 52 -16.839 -10.851 -2.366 382 HG2 LYS 52 1HG LYS 52 -18.910 -11.453 -3.460 383 HG3 LYS 52 2HG LYS 52 -18.808 -10.061 -4.541 384 HD2 LYS 52 1HD LYS 52 -18.193 -12.189 -5.682 385 HD3 LYS 52 2HD LYS 52 -16.873 -11.023 -5.685 386 HE2 LYS 52 1HE LYS 52 -16.063 -13.308 -5.213 387 HE3 LYS 52 2HE LYS 52 -15.777 -12.232 -3.845 388 HZ1 LYS 52 3HZ LYS 52 -16.614 -14.385 -3.163 389 HZ2 LYS 52 1HZ LYS 52 -18.022 -14.156 -4.068 390 HZ3 LYS 52 2HZ LYS 52 -17.695 -13.154 -2.745 391 HA PRO 53 HA PRO 53 -16.173 -6.789 0.986 392 HB2 PRO 53 1HB PRO 53 -16.798 -7.877 3.427 393 HB3 PRO 53 2HB PRO 53 -17.883 -6.781 2.561 394 HG2 PRO 53 1HG PRO 53 -17.940 -9.795 2.674 395 HG3 PRO 53 2HG PRO 53 -19.284 -8.642 2.841 396 HD2 PRO 53 1HD PRO 53 -18.781 -9.939 0.503 397 HD3 PRO 53 2HD PRO 53 -19.441 -8.290 0.538 398 H PHE 54 H PHE 54 -14.063 -7.005 1.406 399 HA PHE 54 HA PHE 54 -12.876 -9.613 2.084 400 HB2 PHE 54 1HB PHE 54 -11.228 -9.518 0.324 401 HB3 PHE 54 2HB PHE 54 -12.788 -9.289 -0.450 402 HD1 PHE 54 HD1 PHE 54 -13.466 -6.926 -1.175 403 HD2 PHE 54 HD2 PHE 54 -9.491 -7.855 0.120 404 HE1 PHE 54 HE1 PHE 54 -12.631 -4.859 -2.210 405 HE2 PHE 54 HE2 PHE 54 -8.671 -5.777 -0.917 406 HZ PHE 54 HZ PHE 54 -10.240 -4.281 -2.083 407 H SER 55 H SER 55 -10.771 -9.410 3.045 408 HA SER 55 HA SER 55 -9.622 -6.737 3.349 409 HB2 SER 55 1HB SER 55 -11.056 -7.186 5.389 410 HB3 SER 55 2HB SER 55 -10.025 -8.568 5.749 411 HG SER 55 HG SER 55 -9.171 -5.864 5.518 412 H ASP 56 H ASP 56 -7.500 -6.804 3.022 413 HA ASP 56 HA ASP 56 -5.958 -9.312 3.309 414 HB2 ASP 56 1HB ASP 56 -6.487 -8.944 0.896 415 HB3 ASP 56 2HB ASP 56 -5.794 -7.328 0.981 416 H SER 57 H SER 57 -3.870 -9.007 4.135 417 HA SER 57 HA SER 57 -2.835 -6.279 4.486 418 HB2 SER 57 1HB SER 57 -2.392 -6.705 6.905 419 HB3 SER 57 2HB SER 57 -4.116 -6.722 6.542 420 HG SER 57 HG SER 57 -2.449 -9.009 6.819 421 H PHE 58 H PHE 58 -0.698 -6.169 4.211 422 HA PHE 58 HA PHE 58 1.028 -8.501 4.601 423 HB2 PHE 58 1HB PHE 58 2.175 -8.121 2.402 424 HB3 PHE 58 2HB PHE 58 0.526 -8.690 2.230 425 HD1 PHE 58 HD2 PHE 58 -1.308 -6.916 1.676 426 HD2 PHE 58 HD1 PHE 58 2.883 -6.152 1.225 427 HE1 PHE 58 HE2 PHE 58 -1.802 -5.080 0.115 428 HE2 PHE 58 HE1 PHE 58 2.370 -4.318 -0.334 429 HZ PHE 58 HZ PHE 58 0.033 -3.782 -0.896 430 H GLU 59 H GLU 59 3.149 -7.959 5.107 431 HA GLU 59 HA GLU 59 3.744 -5.094 5.615 432 HB2 GLU 59 1HB GLU 59 4.284 -7.450 7.485 433 HB3 GLU 59 2HB GLU 59 4.899 -5.818 7.736 434 HG2 GLU 59 1HG GLU 59 2.669 -4.949 8.039 435 HG3 GLU 59 2HG GLU 59 1.957 -6.483 7.570 436 H LEU 60 H LEU 60 5.676 -4.472 4.865 437 HA LEU 60 HA LEU 60 7.611 -6.517 3.940 438 HB2 LEU 60 1HB LEU 60 6.842 -3.972 2.450 439 HB3 LEU 60 2HB LEU 60 8.034 -5.155 1.930 440 HG LEU 60 HG LEU 60 5.029 -5.644 2.136 441 HD11 LEU 60 1HD1 LEU 60 5.580 -4.163 0.259 442 HD12 LEU 60 2HD1 LEU 60 5.051 -5.742 -0.319 443 HD13 LEU 60 3HD1 LEU 60 6.767 -5.333 -0.333 444 HD21 LEU 60 3HD2 LEU 60 6.272 -7.705 2.618 445 HD22 LEU 60 1HD2 LEU 60 7.218 -7.506 1.139 446 HD23 LEU 60 2HD2 LEU 60 5.483 -7.815 1.047 447 HA PRO 61 HA PRO 61 10.401 -3.988 6.511 448 HB2 PRO 61 1HB PRO 61 12.774 -4.993 5.491 449 HB3 PRO 61 2HB PRO 61 11.806 -5.821 6.716 450 HG2 PRO 61 1HG PRO 61 11.816 -6.239 3.724 451 HG3 PRO 61 2HG PRO 61 11.905 -7.451 5.020 452 HD2 PRO 61 1HD PRO 61 9.580 -6.976 3.797 453 HD3 PRO 61 2HD PRO 61 9.609 -7.214 5.563 454 H ARG 62 H ARG 62 11.769 -2.192 6.190 455 HA ARG 62 HA ARG 62 11.213 -0.386 4.290 456 HB2 ARG 62 1HB ARG 62 13.195 0.880 4.932 457 HB3 ARG 62 2HB ARG 62 12.443 0.136 6.339 458 HG2 ARG 62 1HG ARG 62 14.192 -1.554 6.446 459 HG3 ARG 62 2HG ARG 62 14.905 -0.960 4.940 460 HD2 ARG 62 1HD ARG 62 15.361 1.223 6.039 461 HD3 ARG 62 2HD ARG 62 14.696 0.583 7.546 462 HE ARG 62 HE ARG 62 16.613 -1.206 6.991 463 HH11 ARG 62 1HH1 ARG 62 16.734 2.310 7.127 464 HH12 ARG 62 2HH1 ARG 62 18.403 2.345 7.600 465 HH21 ARG 62 1HH2 ARG 62 18.791 -1.131 7.613 466 HH22 ARG 62 2HH2 ARG 62 19.571 0.400 7.851 467 H ASP 63 H ASP 63 13.469 -2.987 3.709 468 HA ASP 63 HA ASP 63 14.839 -1.765 1.471 469 HB2 ASP 63 1HB ASP 63 15.922 -3.415 2.996 470 HB3 ASP 63 2HB ASP 63 14.804 -4.657 2.451 471 H THR 64 H THR 64 11.874 -3.465 1.864 472 HA THR 64 HA THR 64 11.616 -4.069 -1.017 473 HB THR 64 HB THR 64 10.382 -6.169 -0.454 474 HG1 THR 64 HG1 THR 64 10.784 -5.214 2.114 475 HG21 THR 64 3HG2 THR 64 12.804 -6.360 -0.977 476 HG22 THR 64 1HG2 THR 64 12.310 -7.571 0.210 477 HG23 THR 64 2HG2 THR 64 13.190 -6.133 0.730 478 H ALA 65 H ALA 65 10.515 -2.286 1.467 479 HA ALA 65 HA ALA 65 7.751 -2.490 1.652 480 HB1 ALA 65 3HB ALA 65 9.419 0.045 1.798 481 HB2 ALA 65 1HB ALA 65 9.141 -1.091 3.123 482 HB3 ALA 65 2HB ALA 65 7.796 -0.166 2.456 483 H PHE 66 H PHE 66 9.661 -0.793 -0.694 484 HA PHE 66 HA PHE 66 7.596 0.602 -2.049 485 HB2 PHE 66 1HB PHE 66 10.312 -0.100 -3.227 486 HB3 PHE 66 2HB PHE 66 9.276 1.260 -3.656 487 HD1 PHE 66 HD2 PHE 66 8.955 3.152 -2.015 488 HD2 PHE 66 HD1 PHE 66 11.790 0.015 -1.335 489 HE1 PHE 66 HE2 PHE 66 10.057 4.504 -0.283 490 HE2 PHE 66 HE1 PHE 66 12.865 1.376 0.397 491 HZ PHE 66 HZ PHE 66 12.003 3.606 0.925 492 H ASN 67 H ASN 67 8.000 -2.665 -2.034 493 HA ASN 67 HA ASN 67 7.224 -3.196 -4.799 494 HB2 ASN 67 1HB ASN 67 7.606 -5.068 -2.428 495 HB3 ASN 67 2HB ASN 67 7.209 -5.601 -4.061 496 HD21 ASN 67 2HD2 ASN 67 9.528 -6.203 -2.367 497 HD22 ASN 67 1HD2 ASN 67 10.923 -5.749 -3.285 498 H PHE 68 H PHE 68 5.700 -1.959 -2.222 499 HA PHE 68 HA PHE 68 3.416 -3.432 -1.744 500 HB2 PHE 68 1HB PHE 68 2.451 -1.474 -0.762 501 HB3 PHE 68 2HB PHE 68 4.165 -1.469 -0.413 502 HD1 PHE 68 HD1 PHE 68 5.659 0.036 -2.036 503 HD2 PHE 68 HD2 PHE 68 1.443 0.516 -1.513 504 HE1 PHE 68 HE1 PHE 68 5.821 2.353 -2.853 505 HE2 PHE 68 HE2 PHE 68 1.613 2.828 -2.333 506 HZ PHE 68 HZ PHE 68 3.797 3.754 -3.004 507 H ALA 69 H ALA 69 3.745 -0.689 -4.104 508 HA ALA 69 HA ALA 69 1.205 -0.719 -5.108 509 HB1 ALA 69 3HB ALA 69 2.876 1.033 -5.564 510 HB2 ALA 69 1HB ALA 69 2.123 0.463 -7.056 511 HB3 ALA 69 2HB ALA 69 3.752 -0.067 -6.629 512 H SER 70 H SER 70 3.843 -2.936 -5.931 513 HA SER 70 HA SER 70 2.585 -4.090 -8.235 514 HB2 SER 70 1HB SER 70 4.843 -5.125 -6.462 515 HB3 SER 70 2HB SER 70 4.376 -5.817 -8.019 516 HG SER 70 HG SER 70 4.894 -3.088 -7.974 517 H ASP 71 H ASP 71 3.021 -5.110 -4.834 518 HA ASP 71 HA ASP 71 1.612 -7.548 -5.005 519 HB2 ASP 71 1HB ASP 71 3.311 -6.848 -3.216 520 HB3 ASP 71 2HB ASP 71 2.031 -5.907 -2.465 521 H ALA 72 H ALA 72 0.600 -4.551 -3.376 522 HA ALA 72 HA ALA 72 -2.022 -4.868 -2.852 523 HB1 ALA 72 3HB ALA 72 -0.767 -2.805 -2.348 524 HB2 ALA 72 1HB ALA 72 -2.324 -2.438 -3.100 525 HB3 ALA 72 2HB ALA 72 -0.837 -2.343 -4.049 526 H THR 73 H THR 73 -0.790 -3.895 -6.089 527 HA THR 73 HA THR 73 -3.363 -3.822 -7.351 528 HB THR 73 HB THR 73 -0.576 -3.974 -8.581 529 HG1 THR 73 HG1 THR 73 -1.104 -2.076 -7.361 530 HG21 THR 73 3HG2 THR 73 -1.602 -3.193 -10.697 531 HG22 THR 73 1HG2 THR 73 -3.208 -3.312 -9.978 532 HG23 THR 73 2HG2 THR 73 -2.249 -4.770 -10.244 533 H ARG 74 H ARG 74 -0.929 -6.322 -6.882 534 HA ARG 74 HA ARG 74 -1.926 -8.253 -8.725 535 HB2 ARG 74 1HB ARG 74 0.383 -8.300 -7.820 536 HB3 ARG 74 2HB ARG 74 -0.243 -8.647 -6.216 537 HG2 ARG 74 1HG ARG 74 0.641 -10.675 -7.238 538 HG3 ARG 74 2HG ARG 74 -1.102 -10.820 -7.011 539 HD2 ARG 74 1HD ARG 74 -1.489 -10.365 -9.384 540 HD3 ARG 74 2HD ARG 74 0.239 -10.086 -9.639 541 HE ARG 74 HE ARG 74 0.194 -12.592 -8.639 542 HH11 ARG 74 1HH1 ARG 74 -1.608 -11.154 -11.281 543 HH12 ARG 74 2HH1 ARG 74 -1.652 -12.619 -12.204 544 HH21 ARG 74 1HH2 ARG 74 0.141 -14.499 -9.855 545 HH22 ARG 74 2HH2 ARG 74 -0.657 -14.518 -11.396 546 H VAL 75 H VAL 75 -2.498 -7.717 -5.265 547 HA VAL 75 HA VAL 75 -4.381 -9.849 -4.901 548 HB VAL 75 HB VAL 75 -4.007 -7.305 -3.222 549 HG11 VAL 75 1HG1 VAL 75 -6.165 -8.408 -2.755 550 HG12 VAL 75 2HG1 VAL 75 -5.072 -8.591 -1.386 551 HG13 VAL 75 3HG1 VAL 75 -5.342 -9.946 -2.486 552 HG21 VAL 75 3HG2 VAL 75 -2.598 -8.717 -1.741 553 HG22 VAL 75 1HG2 VAL 75 -1.909 -8.558 -3.360 554 HG23 VAL 75 2HG2 VAL 75 -2.735 -10.046 -2.895 555 H ALA 76 H ALA 76 -4.623 -6.458 -5.975 556 HA ALA 76 HA ALA 76 -7.418 -6.082 -5.522 557 HB1 ALA 76 3HB ALA 76 -5.524 -4.686 -7.454 558 HB2 ALA 76 1HB ALA 76 -5.852 -4.193 -5.790 559 HB3 ALA 76 2HB ALA 76 -7.134 -4.119 -7.002 560 H GLN 77 H GLN 77 -5.433 -6.987 -8.304 561 HA GLN 77 HA GLN 77 -7.588 -7.339 -10.144 562 HB2 GLN 77 1HB GLN 77 -5.946 -8.208 -11.709 563 HB3 GLN 77 2HB GLN 77 -5.304 -6.778 -10.913 564 HG2 GLN 77 1HG GLN 77 -3.959 -8.233 -9.429 565 HG3 GLN 77 2HG GLN 77 -4.567 -9.645 -10.288 566 HE21 GLN 77 2HE2 GLN 77 -3.637 -6.570 -11.797 567 HE22 GLN 77 1HE2 GLN 77 -2.295 -7.209 -12.673 568 H LYS 78 H LYS 78 -5.815 -9.478 -7.973 569 HA LYS 78 HA LYS 78 -6.733 -11.990 -8.604 570 HB2 LYS 78 1HB LYS 78 -5.153 -11.099 -6.689 571 HB3 LYS 78 2HB LYS 78 -6.615 -10.992 -5.731 572 HG2 LYS 78 1HG LYS 78 -5.652 -13.041 -5.132 573 HG3 LYS 78 2HG LYS 78 -6.948 -13.488 -6.251 574 HD2 LYS 78 1HD LYS 78 -5.343 -13.759 -8.068 575 HD3 LYS 78 2HD LYS 78 -4.030 -13.154 -7.058 576 HE2 LYS 78 1HE LYS 78 -3.898 -15.572 -7.198 577 HE3 LYS 78 2HE LYS 78 -4.311 -15.108 -5.553 578 HZ1 LYS 78 3HZ LYS 78 -5.616 -16.990 -6.387 579 HZ2 LYS 78 1HZ LYS 78 -6.281 -16.002 -7.582 580 HZ3 LYS 78 2HZ LYS 78 -6.590 -15.684 -5.953 581 H HIS 79 H HIS 79 -8.360 -9.417 -6.821 582 HA HIS 79 HA HIS 79 -10.701 -11.062 -6.221 583 HB2 HIS 79 1HB HIS 79 -9.806 -8.306 -5.303 584 HB3 HIS 79 2HB HIS 79 -11.423 -8.909 -4.966 585 HD1 HIS 79 HD1 HIS 79 -11.669 -10.125 -2.833 586 HD2 HIS 79 HD2 HIS 79 -7.739 -10.196 -4.156 587 HE1 HIS 79 HE1 HIS 79 -10.359 -11.219 -1.003 588 HE2 HIS 79 HE2 HIS 79 -8.041 -11.435 -1.925 589 H GLY 80 H GLY 80 -9.966 -9.551 -9.048 590 HA2 GLY 80 1HA GLY 80 -12.044 -9.762 -10.461 591 HA3 GLY 80 2HA GLY 80 -12.761 -8.570 -9.402 592 H LEU 81 H LEU 81 -9.723 -7.361 -9.673 593 HA LEU 81 HA LEU 81 -10.551 -5.511 -11.767 594 HB2 LEU 81 1HB LEU 81 -8.124 -5.524 -9.947 595 HB3 LEU 81 2HB LEU 81 -8.262 -4.403 -11.289 596 HG LEU 81 HG LEU 81 -10.388 -3.521 -10.244 597 HD11 LEU 81 1HD1 LEU 81 -10.952 -5.442 -8.840 598 HD12 LEU 81 2HD1 LEU 81 -10.844 -3.956 -7.900 599 HD13 LEU 81 3HD1 LEU 81 -9.531 -5.135 -7.837 600 HD21 LEU 81 3HD2 LEU 81 -8.271 -2.312 -10.028 601 HD22 LEU 81 1HD2 LEU 81 -7.856 -3.253 -8.588 602 HD23 LEU 81 2HD2 LEU 81 -9.235 -2.151 -8.564 603 H HIS 82 H HIS 82 -10.479 -7.541 -13.266 604 HA HIS 82 HA HIS 82 -7.884 -7.979 -14.538 605 HB2 HIS 82 1HB HIS 82 -9.463 -9.854 -14.506 606 HB3 HIS 82 2HB HIS 82 -10.699 -8.876 -15.289 607 HD1 HIS 82 HD1 HIS 82 -10.378 -8.365 -17.844 608 HD2 HIS 82 HD2 HIS 82 -7.635 -11.052 -16.265 609 HE1 HIS 82 HE1 HIS 82 -9.276 -9.429 -19.821 610 HE2 HIS 82 HE2 HIS 82 -7.769 -11.185 -18.839 611 HA PRO 83 HA PRO 83 -8.556 -3.964 -16.689 612 HB2 PRO 83 1HB PRO 83 -6.075 -4.885 -18.131 613 HB3 PRO 83 2HB PRO 83 -6.428 -3.313 -17.395 614 HG2 PRO 83 1HG PRO 83 -4.792 -5.014 -16.159 615 HG3 PRO 83 2HG PRO 83 -5.989 -4.092 -15.217 616 HD2 PRO 83 1HD PRO 83 -6.101 -6.975 -16.125 617 HD3 PRO 83 2HD PRO 83 -6.550 -6.276 -14.553 618 H LYS 84 H LYS 84 -10.313 -4.257 -17.954 619 HA LYS 84 HA LYS 84 -10.597 -6.264 -19.961 620 HB2 LYS 84 1HB LYS 84 -12.525 -5.323 -18.729 621 HB3 LYS 84 2HB LYS 84 -12.247 -3.749 -19.467 622 HG2 LYS 84 1HG LYS 84 -12.761 -4.674 -21.685 623 HG3 LYS 84 2HG LYS 84 -12.971 -6.281 -20.981 624 HD2 LYS 84 1HD LYS 84 -14.923 -5.510 -19.719 625 HD3 LYS 84 2HD LYS 84 -14.676 -3.856 -20.292 626 HE2 LYS 84 1HE LYS 84 -15.347 -6.249 -22.040 627 HE3 LYS 84 2HE LYS 84 -16.479 -4.992 -21.541 628 HZ1 LYS 84 3HZ LYS 84 -15.689 -4.559 -23.755 629 HZ2 LYS 84 1HZ LYS 84 -14.077 -4.609 -23.250 630 HZ3 LYS 84 2HZ LYS 84 -15.090 -3.367 -22.717 631 H PHE 85 H PHE 85 -9.676 -2.872 -20.000 632 HA PHE 85 HA PHE 85 -9.362 -2.709 -22.862 633 HB2 PHE 85 1HB PHE 85 -8.366 -0.487 -22.459 634 HB3 PHE 85 2HB PHE 85 -9.907 -0.672 -21.655 635 HD1 PHE 85 HD2 PHE 85 -9.551 -1.622 -19.040 636 HD2 PHE 85 HD1 PHE 85 -6.798 0.785 -21.269 637 HE1 PHE 85 HE2 PHE 85 -8.591 -0.770 -16.942 638 HE2 PHE 85 HE1 PHE 85 -5.854 1.634 -19.160 639 HZ PHE 85 HZ PHE 85 -6.745 0.862 -17.001 640 H GLY 86 H GLY 86 -7.557 -4.230 -20.479 641 HA2 GLY 86 1HA GLY 86 -5.751 -5.641 -20.880 642 HA3 GLY 86 2HA GLY 86 -5.421 -4.796 -22.385 643 H ALA 87 H ALA 87 -5.050 -2.253 -21.682 644 HA ALA 87 HA ALA 87 -2.470 -2.234 -20.403 645 HB1 ALA 87 3HB ALA 87 -2.438 0.139 -21.089 646 HB2 ALA 87 1HB ALA 87 -4.140 0.035 -21.547 647 HB3 ALA 87 2HB ALA 87 -2.932 -0.903 -22.426 648 H ILE 88 H ILE 88 -2.197 0.001 -19.034 649 HA ILE 88 HA ILE 88 -4.327 0.340 -17.020 650 HB ILE 88 HB ILE 88 -2.581 0.517 -15.200 651 HG12 ILE 88 1HG1 ILE 88 -0.681 -0.720 -17.257 652 HG13 ILE 88 2HG1 ILE 88 -0.600 0.942 -16.687 653 HG21 ILE 88 1HG2 ILE 88 -3.895 -1.553 -15.405 654 HG22 ILE 88 2HG2 ILE 88 -2.261 -1.908 -14.840 655 HG23 ILE 88 3HG2 ILE 88 -2.701 -2.222 -16.520 656 HD11 ILE 88 3HD1 ILE 88 1.083 -0.430 -15.634 657 HD12 ILE 88 1HD1 ILE 88 -0.151 -1.532 -15.021 658 HD13 ILE 88 2HD1 ILE 88 -0.080 0.133 -14.435 659 H THR 89 H THR 89 -3.287 2.327 -15.509 660 HA THR 89 HA THR 89 -3.299 4.660 -17.115 661 HB THR 89 HB THR 89 -2.618 5.786 -14.889 662 HG1 THR 89 HG1 THR 89 -2.717 4.364 -13.059 663 HG21 THR 89 3HG2 THR 89 -4.999 5.555 -15.529 664 HG22 THR 89 1HG2 THR 89 -4.786 5.351 -13.789 665 HG23 THR 89 2HG2 THR 89 -5.042 3.940 -14.818 666 H ARG 90 H ARG 90 -0.695 3.364 -15.037 667 HA ARG 90 HA ARG 90 1.509 3.152 -15.162 668 HB2 ARG 90 1HB ARG 90 0.897 1.891 -17.235 669 HB3 ARG 90 2HB ARG 90 1.222 3.344 -18.177 670 HG2 ARG 90 1HG ARG 90 3.577 3.307 -17.491 671 HG3 ARG 90 2HG ARG 90 3.272 1.921 -16.438 672 HD2 ARG 90 1HD ARG 90 3.135 1.980 -19.469 673 HD3 ARG 90 2HD ARG 90 4.323 1.133 -18.474 674 HE ARG 90 HE ARG 90 1.465 0.427 -18.745 675 HH11 ARG 90 1HH1 ARG 90 4.694 -0.578 -17.820 676 HH12 ARG 90 2HH1 ARG 90 4.246 -2.243 -17.645 677 HH21 ARG 90 1HH2 ARG 90 0.899 -1.730 -18.540 678 HH22 ARG 90 2HH2 ARG 90 2.087 -2.903 -18.064 679 H VAL 91 H VAL 91 1.123 5.416 -17.922 680 HA VAL 91 HA VAL 91 3.610 6.635 -17.534 681 HB VAL 91 HB VAL 91 2.845 8.314 -19.279 682 HG11 VAL 91 1HG1 VAL 91 2.412 5.370 -19.943 683 HG12 VAL 91 2HG1 VAL 91 3.963 6.212 -19.921 684 HG13 VAL 91 3HG1 VAL 91 2.742 6.649 -21.117 685 HG21 VAL 91 3HG2 VAL 91 0.671 7.921 -20.428 686 HG22 VAL 91 1HG2 VAL 91 0.428 8.379 -18.739 687 HG23 VAL 91 2HG2 VAL 91 0.258 6.693 -19.227 688 H HIS 92 H HIS 92 3.629 7.219 -15.361 689 HA HIS 92 HA HIS 92 2.967 9.964 -14.759 690 HB2 HIS 92 1HB HIS 92 1.495 7.665 -13.431 691 HB3 HIS 92 2HB HIS 92 1.966 9.016 -12.418 692 HD1 HIS 92 HD1 HIS 92 0.919 11.373 -13.031 693 HD2 HIS 92 HD2 HIS 92 -0.787 8.106 -14.959 694 HE1 HIS 92 HE1 HIS 92 -1.292 12.183 -13.898 695 HE2 HIS 92 HE2 HIS 92 -2.272 10.211 -15.121 696 H LYS 93 H LYS 93 4.134 10.699 -12.891 697 HA LYS 93 HA LYS 93 6.420 8.973 -12.074 698 HB2 LYS 93 1HB LYS 93 6.223 12.011 -12.085 699 HB3 LYS 93 2HB LYS 93 7.658 11.072 -11.707 700 HG2 LYS 93 1HG LYS 93 6.347 11.052 -14.455 701 HG3 LYS 93 2HG LYS 93 7.579 12.219 -13.991 702 HD2 LYS 93 1HD LYS 93 8.841 10.607 -15.119 703 HD3 LYS 93 2HD LYS 93 9.049 10.114 -13.444 704 HE2 LYS 93 1HE LYS 93 8.662 8.170 -14.887 705 HE3 LYS 93 2HE LYS 93 7.327 8.368 -13.754 706 HZ1 LYS 93 3HZ LYS 93 7.334 9.143 -16.617 707 HZ2 LYS 93 1HZ LYS 93 6.063 9.445 -15.546 708 HZ3 LYS 93 2HZ LYS 93 6.495 7.857 -15.920 709 H GLU 94 H GLU 94 3.597 9.299 -10.919 710 HA GLU 94 HA GLU 94 3.787 10.809 -8.494 711 HB2 GLU 94 1HB GLU 94 1.713 8.640 -8.978 712 HB3 GLU 94 2HB GLU 94 1.570 10.090 -7.995 713 HG2 GLU 94 1HG GLU 94 1.368 9.790 -10.978 714 HG3 GLU 94 2HG GLU 94 0.227 10.508 -9.861 715 H TYR 95 H TYR 95 4.300 7.477 -9.384 716 HA TYR 95 HA TYR 95 4.541 6.321 -6.815 717 HB2 TYR 95 1HB TYR 95 4.243 4.873 -8.745 718 HB3 TYR 95 2HB TYR 95 5.699 5.501 -9.512 719 HD1 TYR 95 HD2 TYR 95 4.535 3.533 -6.525 720 HD2 TYR 95 HD1 TYR 95 7.810 4.437 -9.127 721 HE1 TYR 95 HE2 TYR 95 5.888 1.767 -5.463 722 HE2 TYR 95 HE1 TYR 95 9.146 2.689 -8.059 723 HH TYR 95 HH TYR 95 7.836 0.350 -6.061 724 H ASP 96 H ASP 96 6.997 7.657 -9.088 725 HA ASP 96 HA ASP 96 9.281 7.398 -7.516 726 HB2 ASP 96 1HB ASP 96 9.116 8.104 -9.966 727 HB3 ASP 96 2HB ASP 96 8.692 9.716 -9.414 728 H ALA 97 H ALA 97 6.758 9.826 -7.474 729 HA ALA 97 HA ALA 97 7.969 11.777 -5.831 730 HB1 ALA 97 3HB ALA 97 5.679 12.673 -5.600 731 HB2 ALA 97 1HB ALA 97 5.027 11.180 -6.284 732 HB3 ALA 97 2HB ALA 97 6.036 12.238 -7.272 733 H MET 98 H MET 98 5.589 9.233 -5.053 734 HA MET 98 HA MET 98 5.695 9.617 -2.237 735 HB2 MET 98 1HB MET 98 4.646 7.289 -3.890 736 HB3 MET 98 2HB MET 98 4.427 7.442 -2.148 737 HG2 MET 98 1HG MET 98 3.340 9.322 -4.261 738 HG3 MET 98 2HG MET 98 2.422 8.144 -3.330 739 HE1 MET 98 3HE MET 98 3.011 11.810 -3.649 740 HE2 MET 98 1HE MET 98 4.617 11.476 -3.002 741 HE3 MET 98 2HE MET 98 3.450 12.403 -2.051 742 H PHE 99 H PHE 99 7.479 7.586 -4.433 743 HA PHE 99 HA PHE 99 8.657 5.682 -2.822 744 HB2 PHE 99 1HB PHE 99 8.965 5.823 -5.313 745 HB3 PHE 99 2HB PHE 99 10.060 7.177 -5.095 746 HD1 PHE 99 HD1 PHE 99 12.298 6.758 -3.862 747 HD2 PHE 99 HD2 PHE 99 9.767 3.566 -5.183 748 HE1 PHE 99 HE1 PHE 99 14.187 5.195 -3.716 749 HE2 PHE 99 HE2 PHE 99 11.670 2.016 -5.026 750 HZ PHE 99 HZ PHE 99 13.877 2.822 -4.294 751 H GLU 100 H GLU 100 9.837 8.985 -3.463 752 HA GLU 100 HA GLU 100 12.166 8.677 -1.814 753 HB2 GLU 100 1HB GLU 100 12.651 11.015 -2.299 754 HB3 GLU 100 2HB GLU 100 12.279 10.105 -3.757 755 HG2 GLU 100 1HG GLU 100 10.084 11.110 -3.918 756 HG3 GLU 100 2HG GLU 100 10.274 11.890 -2.347 757 H ASP 101 H ASP 101 8.949 9.946 -1.276 758 HA ASP 101 HA ASP 101 9.551 11.271 1.198 759 HB2 ASP 101 1HB ASP 101 7.566 11.863 -0.202 760 HB3 ASP 101 2HB ASP 101 6.852 10.293 0.169 761 H ILE 102 H ILE 102 8.122 8.100 0.378 762 HA ILE 102 HA ILE 102 7.824 7.076 2.973 763 HB ILE 102 HB ILE 102 8.248 5.572 0.353 764 HG12 ILE 102 1HG1 ILE 102 5.664 6.099 1.903 765 HG13 ILE 102 2HG1 ILE 102 6.183 7.021 0.498 766 HG21 ILE 102 1HG2 ILE 102 7.323 4.415 3.019 767 HG22 ILE 102 2HG2 ILE 102 8.837 4.053 2.192 768 HG23 ILE 102 3HG2 ILE 102 7.309 3.556 1.472 769 HD11 ILE 102 3HD1 ILE 102 5.478 4.082 0.528 770 HD12 ILE 102 1HD1 ILE 102 6.001 5.003 -0.887 771 HD13 ILE 102 2HD1 ILE 102 4.479 5.399 -0.086 772 H ARG 103 H ARG 103 10.575 6.695 0.707 773 HA ARG 103 HA ARG 103 12.193 5.055 2.366 774 HB2 ARG 103 1HB ARG 103 14.092 5.560 0.954 775 HB3 ARG 103 2HB ARG 103 12.665 5.397 -0.050 776 HG2 ARG 103 1HG ARG 103 13.643 7.228 -1.047 777 HG3 ARG 103 2HG ARG 103 12.602 8.035 0.120 778 HD2 ARG 103 1HD ARG 103 14.652 8.033 1.687 779 HD3 ARG 103 2HD ARG 103 15.587 7.617 0.250 780 HE ARG 103 HE ARG 103 14.159 9.824 -0.503 781 HH11 ARG 103 1HH1 ARG 103 16.399 9.177 2.125 782 HH12 ARG 103 2HH1 ARG 103 16.882 10.835 2.275 783 HH21 ARG 103 1HH2 ARG 103 14.799 12.006 -0.263 784 HH22 ARG 103 2HH2 ARG 103 15.974 12.425 0.942 785 H ALA 104 H ALA 104 11.621 8.448 2.384 786 HA ALA 104 HA ALA 104 13.774 9.204 4.150 787 HB1 ALA 104 3HB ALA 104 12.880 10.781 2.495 788 HB2 ALA 104 1HB ALA 104 12.703 11.406 4.138 789 HB3 ALA 104 2HB ALA 104 11.304 10.739 3.291 790 H LYS 105 H LYS 105 10.210 8.629 4.495 791 HA LYS 105 HA LYS 105 10.001 9.035 7.248 792 HB2 LYS 105 1HB LYS 105 8.137 8.784 5.537 793 HB3 LYS 105 2HB LYS 105 8.425 7.054 5.563 794 HG2 LYS 105 1HG LYS 105 6.690 7.122 7.053 795 HG3 LYS 105 2HG LYS 105 8.000 7.389 8.197 796 HD2 LYS 105 1HD LYS 105 6.304 9.573 6.927 797 HD3 LYS 105 2HD LYS 105 6.042 8.900 8.533 798 HE2 LYS 105 1HE LYS 105 8.246 9.763 9.247 799 HE3 LYS 105 2HE LYS 105 8.507 10.448 7.640 800 HZ1 LYS 105 3HZ LYS 105 6.316 11.182 9.498 801 HZ2 LYS 105 1HZ LYS 105 6.576 11.844 7.963 802 HZ3 LYS 105 2HZ LYS 105 7.704 12.096 9.199 803 H LEU 106 H LEU 106 10.925 6.187 5.432 804 HA LEU 106 HA LEU 106 11.311 4.347 7.549 805 HB2 LEU 106 1HB LEU 106 12.323 4.567 4.713 806 HB3 LEU 106 2HB LEU 106 12.995 3.332 5.757 807 HG LEU 106 HG LEU 106 11.015 2.058 5.795 808 HD11 LEU 106 1HD1 LEU 106 9.449 3.772 6.546 809 HD12 LEU 106 2HD1 LEU 106 8.767 2.843 5.217 810 HD13 LEU 106 3HD1 LEU 106 9.397 4.462 4.924 811 HD21 LEU 106 3HD2 LEU 106 10.931 3.396 3.066 812 HD22 LEU 106 1HD2 LEU 106 10.213 1.836 3.478 813 HD23 LEU 106 2HD2 LEU 106 11.963 2.039 3.524 814 H HIS 107 H HIS 107 13.206 7.021 6.431 815 HA HIS 107 HA HIS 107 15.523 6.433 8.122 816 HB2 HIS 107 1HB HIS 107 15.734 7.597 5.900 817 HB3 HIS 107 2HB HIS 107 14.836 8.958 6.542 818 HD1 HIS 107 HD1 HIS 107 18.216 7.481 6.357 819 HD2 HIS 107 HD2 HIS 107 16.329 10.532 8.457 820 HE1 HIS 107 HE1 HIS 107 20.062 8.884 7.316 821 HE2 HIS 107 HE2 HIS 107 18.892 10.830 8.390 822 H ALA 108 H ALA 108 12.463 7.996 8.358 823 HA ALA 108 HA ALA 108 11.231 8.451 10.180 824 HB1 ALA 108 3HB ALA 108 12.776 7.258 11.685 825 HB2 ALA 108 1HB ALA 108 12.101 8.701 12.446 826 HB3 ALA 108 2HB ALA 108 13.755 8.717 11.829 827 H HIS 109 H HIS 109 12.830 10.344 8.305 828 HA HIS 109 HA HIS 109 11.582 12.787 9.415 829 HB2 HIS 109 1HB HIS 109 14.400 12.629 8.234 830 HB3 HIS 109 2HB HIS 109 13.523 14.143 8.430 831 HD1 HIS 109 HD1 HIS 109 13.562 15.216 10.724 832 HD2 HIS 109 HD2 HIS 109 15.214 11.407 10.719 833 HE1 HIS 109 HE1 HIS 109 14.635 14.946 12.972 834 HE2 HIS 109 HE2 HIS 109 15.773 12.705 12.874 835 HA PRO 110 HA PRO 110 9.569 12.330 5.438 836 HB2 PRO 110 1HB PRO 110 8.873 15.238 5.575 837 HB3 PRO 110 2HB PRO 110 7.807 13.829 5.495 838 HG2 PRO 110 1HG PRO 110 8.081 15.211 7.782 839 HG3 PRO 110 2HG PRO 110 7.921 13.441 7.801 840 HD2 PRO 110 1HD PRO 110 10.423 15.117 8.073 841 HD3 PRO 110 2HD PRO 110 9.915 13.694 9.013 842 H GLY 111 H GLY 111 9.711 12.882 3.215 843 HA2 GLY 111 1HA GLY 111 11.849 14.754 2.362 844 HA3 GLY 111 2HA GLY 111 11.961 13.054 1.906 845 H GLU 112 H GLU 112 9.553 15.630 1.994 846 HA GLU 112 HA GLU 112 7.789 14.619 0.122 847 HB2 GLU 112 1HB GLU 112 6.814 16.886 -0.014 848 HB3 GLU 112 2HB GLU 112 7.124 16.403 1.645 849 HG2 GLU 112 1HG GLU 112 9.091 18.154 0.147 850 HG3 GLU 112 2HG GLU 112 7.661 18.842 0.905 851 HA PRO 113 HA PRO 113 9.837 15.409 -3.816 852 HB2 PRO 113 1HB PRO 113 7.856 14.720 -5.495 853 HB3 PRO 113 2HB PRO 113 8.580 13.521 -4.411 854 HG2 PRO 113 1HG PRO 113 6.011 15.080 -4.056 855 HG3 PRO 113 2HG PRO 113 6.292 13.333 -3.864 856 HD2 PRO 113 1HD PRO 113 6.278 15.088 -1.752 857 HD3 PRO 113 2HD PRO 113 7.229 13.588 -1.755 858 H VAL 114 H VAL 114 9.654 17.782 -2.893 859 HA VAL 114 HA VAL 114 7.782 19.482 -4.328 860 HB VAL 114 HB VAL 114 8.325 20.013 -1.998 861 HG11 VAL 114 1HG1 VAL 114 10.651 19.219 -1.876 862 HG12 VAL 114 2HG1 VAL 114 10.501 20.867 -1.260 863 HG13 VAL 114 3HG1 VAL 114 11.168 20.583 -2.872 864 HG21 VAL 114 3HG2 VAL 114 7.632 21.858 -3.444 865 HG22 VAL 114 1HG2 VAL 114 9.312 22.172 -3.887 866 HG23 VAL 114 2HG2 VAL 114 8.769 22.435 -2.227 867 H ASP 115 H ASP 115 8.509 18.681 -6.398 868 HA ASP 115 HA ASP 115 11.152 19.466 -7.404 869 HB2 ASP 115 1HB ASP 115 10.585 18.137 -9.406 870 HB3 ASP 115 2HB ASP 115 10.348 17.193 -7.946 871 H LEU 116 H LEU 116 9.607 21.635 -6.718 872 HA LEU 116 HA LEU 116 8.013 22.713 -8.775 873 HB2 LEU 116 1HB LEU 116 8.107 24.825 -7.507 874 HB3 LEU 116 2HB LEU 116 7.759 23.438 -6.497 875 HG LEU 116 HG LEU 116 10.221 23.516 -5.741 876 HD11 LEU 116 1HD1 LEU 116 10.132 26.300 -6.947 877 HD12 LEU 116 2HD1 LEU 116 11.181 24.975 -7.454 878 HD13 LEU 116 3HD1 LEU 116 11.380 25.685 -5.856 879 HD21 LEU 116 3HD2 LEU 116 9.762 25.227 -4.041 880 HD22 LEU 116 1HD2 LEU 116 8.343 24.220 -4.320 881 HD23 LEU 116 2HD2 LEU 116 8.416 25.846 -5.003 882 H GLU 117 H GLU 117 11.487 22.731 -8.336 883 HA GLU 117 HA GLU 117 12.081 24.940 -10.075 884 HB2 GLU 117 1HB GLU 117 13.596 24.167 -8.235 885 HB3 GLU 117 2HB GLU 117 13.903 22.685 -9.132 886 HG2 GLU 117 1HG GLU 117 14.855 24.123 -10.998 887 HG3 GLU 117 2HG GLU 117 14.717 25.508 -9.916 888 H ARG 118 H ARG 118 11.275 21.622 -10.641 889 HA ARG 118 HA ARG 118 12.713 21.181 -13.067 890 HB2 ARG 118 1HB ARG 118 11.766 19.380 -11.573 891 HB3 ARG 118 2HB ARG 118 10.160 19.802 -12.139 892 HG2 ARG 118 1HG ARG 118 11.027 17.800 -13.275 893 HG3 ARG 118 2HG ARG 118 10.750 19.112 -14.422 894 HD2 ARG 118 1HD ARG 118 12.881 17.896 -14.854 895 HD3 ARG 118 2HD ARG 118 13.139 19.607 -14.504 896 HE ARG 118 HE ARG 118 13.382 18.268 -12.085 897 HH11 ARG 118 1HH1 ARG 118 15.099 18.225 -15.154 898 HH12 ARG 118 2HH1 ARG 118 16.621 17.842 -14.423 899 HH21 ARG 118 1HH2 ARG 118 15.391 17.797 -11.150 900 HH22 ARG 118 2HH2 ARG 118 16.788 17.594 -12.162 901 H ILE 119 H ILE 119 9.862 22.991 -12.368 902 HA ILE 119 HA ILE 119 8.754 23.117 -15.011 903 HB ILE 119 HB ILE 119 8.495 24.965 -12.596 904 HG12 ILE 119 1HG1 ILE 119 7.468 22.731 -12.284 905 HG13 ILE 119 2HG1 ILE 119 6.225 23.972 -12.360 906 HG21 ILE 119 1HG2 ILE 119 8.095 26.335 -14.581 907 HG22 ILE 119 2HG2 ILE 119 6.576 26.060 -13.728 908 HG23 ILE 119 3HG2 ILE 119 6.938 25.153 -15.199 909 HD11 ILE 119 3HD1 ILE 119 5.549 21.987 -13.576 910 HD12 ILE 119 1HD1 ILE 119 6.981 22.083 -14.601 911 HD13 ILE 119 2HD1 ILE 119 5.742 23.337 -14.690 912 H ILE 120 H ILE 120 11.242 24.848 -13.246 913 HA ILE 120 HA ILE 120 11.661 26.849 -15.316 914 HB ILE 120 HB ILE 120 13.246 26.364 -12.739 915 HG12 ILE 120 1HG1 ILE 120 12.057 28.576 -12.027 916 HG13 ILE 120 2HG1 ILE 120 10.945 28.284 -13.356 917 HG21 ILE 120 1HG2 ILE 120 14.192 28.631 -13.131 918 HG22 ILE 120 2HG2 ILE 120 13.354 28.704 -14.683 919 HG23 ILE 120 3HG2 ILE 120 14.618 27.502 -14.418 920 HD11 ILE 120 3HD1 ILE 120 10.284 26.160 -12.272 921 HD12 ILE 120 1HD1 ILE 120 9.971 27.587 -11.284 922 HD13 ILE 120 2HD1 ILE 120 11.352 26.553 -10.923 923 H ARG 121 H ARG 121 11.997 25.216 -16.909 924 HA ARG 121 HA ARG 121 14.853 24.686 -17.327 925 HB2 ARG 121 1HB ARG 121 14.414 22.415 -18.197 926 HB3 ARG 121 2HB ARG 121 13.956 22.539 -16.510 927 HG2 ARG 121 1HG ARG 121 11.944 21.648 -17.035 928 HG3 ARG 121 2HG ARG 121 11.575 23.116 -17.929 929 HD2 ARG 121 1HD ARG 121 12.924 20.660 -19.104 930 HD3 ARG 121 2HD ARG 121 11.205 21.032 -19.256 931 HE ARG 121 HE ARG 121 13.428 22.596 -20.456 932 HH11 ARG 121 1HH1 ARG 121 10.042 21.673 -20.489 933 HH12 ARG 121 2HH1 ARG 121 9.734 22.419 -22.023 934 HH21 ARG 121 1HH2 ARG 121 12.994 23.583 -22.453 935 HH22 ARG 121 2HH2 ARG 121 11.402 23.498 -23.133 936 H HIS 122 H HIS 122 11.793 25.707 -18.404 937 HA HIS 122 HA HIS 122 12.048 25.455 -21.227 938 HB2 HIS 122 1HB HIS 122 9.870 25.805 -20.116 939 HB3 HIS 122 2HB HIS 122 10.400 27.365 -19.503 940 HD1 HIS 122 HD1 HIS 122 10.146 29.370 -21.047 941 HD2 HIS 122 HD2 HIS 122 9.315 25.766 -22.945 942 HE1 HIS 122 HE1 HIS 122 9.108 29.991 -23.245 943 HE2 HIS 122 HE2 HIS 122 8.777 27.801 -24.441 944 H GLU 123 H GLU 123 13.313 26.626 -22.563 945 HA GLU 123 HA GLU 123 14.843 28.929 -21.583 946 HB2 GLU 123 1HB GLU 123 14.993 27.503 -24.280 947 HB3 GLU 123 2HB GLU 123 16.148 28.679 -23.662 948 HG2 GLU 123 1HG GLU 123 15.633 25.904 -22.543 949 HG3 GLU 123 2HG GLU 123 17.024 26.394 -23.504 950 H GLY 124 H GLY 124 14.969 30.914 -22.881 951 HA2 GLY 124 1HA GLY 124 12.388 31.894 -23.744 952 HA3 GLY 124 2HA GLY 124 13.901 32.786 -23.692 953 H SER 125 H SER 125 12.372 30.124 -25.513 954 HA SER 125 HA SER 125 13.876 30.784 -27.942 955 HB2 SER 125 1HB SER 125 13.773 28.409 -27.219 956 HB3 SER 125 2HB SER 125 12.019 28.436 -27.316 957 HG SER 125 HG SER 125 12.982 29.263 -29.663 Start of MODEL 11 1 H1 GLN 1 1H GLN 1 -15.852 10.261 -2.539 2 H2 GLN 1 2H GLN 1 -14.525 11.193 -3.026 3 H3 GLN 1 3H GLN 1 -14.338 9.548 -2.720 4 HA GLN 1 HA GLN 1 -15.686 8.952 -4.555 5 HB2 GLN 1 1HB GLN 1 -16.617 10.649 -6.071 6 HB3 GLN 1 2HB GLN 1 -17.214 10.903 -4.435 7 HG2 GLN 1 1HG GLN 1 -15.406 12.681 -4.175 8 HG3 GLN 1 2HG GLN 1 -15.121 12.525 -5.908 9 HE21 GLN 1 2HE2 GLN 1 -17.275 13.688 -3.455 10 HE22 GLN 1 1HE2 GLN 1 -18.324 14.580 -4.496 11 H GLY 2 H GLY 2 -14.768 8.710 -6.690 12 HA2 GLY 2 1HA GLY 2 -13.129 8.653 -8.283 13 HA3 GLY 2 2HA GLY 2 -12.624 10.240 -7.727 14 H HIS 3 H HIS 3 -10.474 9.293 -8.366 15 HA HIS 3 HA HIS 3 -9.253 7.366 -6.599 16 HB2 HIS 3 1HB HIS 3 -7.172 7.779 -7.767 17 HB3 HIS 3 2HB HIS 3 -8.447 7.737 -8.969 18 HD1 HIS 3 HD1 HIS 3 -5.894 9.990 -7.450 19 HD2 HIS 3 HD2 HIS 3 -8.908 10.211 -10.300 20 HE1 HIS 3 HE1 HIS 3 -5.521 12.158 -8.652 21 HE2 HIS 3 HE2 HIS 3 -7.445 12.342 -10.258 22 H MET 4 H MET 4 -8.613 7.771 -4.597 23 HA MET 4 HA MET 4 -8.129 10.558 -3.694 24 HB2 MET 4 1HB MET 4 -10.287 9.728 -2.842 25 HB3 MET 4 2HB MET 4 -9.516 8.284 -2.200 26 HG2 MET 4 1HG MET 4 -8.328 9.589 -0.548 27 HG3 MET 4 2HG MET 4 -8.905 11.097 -1.266 28 HE1 MET 4 3HE MET 4 -10.847 10.979 2.150 29 HE2 MET 4 1HE MET 4 -9.683 11.859 1.164 30 HE3 MET 4 2HE MET 4 -9.229 10.322 1.904 31 H PHE 5 H PHE 5 -6.229 10.900 -2.714 32 HA PHE 5 HA PHE 5 -4.778 8.697 -1.417 33 HB2 PHE 5 1HB PHE 5 -3.820 8.749 -3.669 34 HB3 PHE 5 2HB PHE 5 -3.600 10.494 -3.586 35 HD1 PHE 5 HD1 PHE 5 -2.603 7.369 -1.753 36 HD2 PHE 5 HD2 PHE 5 -1.463 11.303 -2.986 37 HE1 PHE 5 HE1 PHE 5 -0.371 7.035 -0.801 38 HE2 PHE 5 HE2 PHE 5 0.774 10.952 -2.033 39 HZ PHE 5 HZ PHE 5 1.319 8.819 -0.936 40 H GLU 6 H GLU 6 -3.822 9.309 0.400 41 HA GLU 6 HA GLU 6 -3.137 12.100 1.001 42 HB2 GLU 6 1HB GLU 6 -4.246 11.927 3.220 43 HB3 GLU 6 2HB GLU 6 -5.422 11.712 1.926 44 HG2 GLU 6 1HG GLU 6 -5.173 9.210 2.247 45 HG3 GLU 6 2HG GLU 6 -4.210 9.557 3.678 46 HA PRO 7 HA PRO 7 0.590 10.198 2.804 47 HB2 PRO 7 1HB PRO 7 0.152 11.999 5.187 48 HB3 PRO 7 2HB PRO 7 1.605 11.773 4.198 49 HG2 PRO 7 1HG PRO 7 0.113 13.967 3.895 50 HG3 PRO 7 2HG PRO 7 0.801 13.152 2.471 51 HD2 PRO 7 1HD PRO 7 -2.023 13.061 3.531 52 HD3 PRO 7 2HD PRO 7 -1.456 13.164 1.849 53 H GLY 8 H GLY 8 0.039 8.113 3.334 54 HA2 GLY 8 1HA GLY 8 0.224 6.618 5.254 55 HA3 GLY 8 2HA GLY 8 -1.003 7.571 6.070 56 H HIS 9 H HIS 9 -2.357 7.618 3.186 57 HA HIS 9 HA HIS 9 -3.532 4.943 3.185 58 HB2 HIS 9 1HB HIS 9 -4.772 5.929 5.014 59 HB3 HIS 9 2HB HIS 9 -5.070 7.401 4.100 60 HD1 HIS 9 HD1 HIS 9 -7.312 7.526 3.046 61 HD2 HIS 9 HD2 HIS 9 -6.184 3.597 3.791 62 HE1 HIS 9 HE1 HIS 9 -9.299 6.126 2.442 63 HE2 HIS 9 HE2 HIS 9 -8.680 3.809 3.190 64 H LEU 10 H LEU 10 -4.205 4.390 1.261 65 HA LEU 10 HA LEU 10 -4.936 6.332 -0.831 66 HB2 LEU 10 1HB LEU 10 -2.995 4.917 -1.409 67 HB3 LEU 10 2HB LEU 10 -3.893 3.469 -0.982 68 HG LEU 10 HG LEU 10 -5.493 4.026 -2.906 69 HD11 LEU 10 1HD1 LEU 10 -3.311 5.996 -3.666 70 HD12 LEU 10 2HD1 LEU 10 -4.955 6.398 -3.172 71 HD13 LEU 10 3HD1 LEU 10 -4.680 5.526 -4.678 72 HD21 LEU 10 3HD2 LEU 10 -2.600 3.422 -3.623 73 HD22 LEU 10 1HD2 LEU 10 -4.010 3.089 -4.631 74 HD23 LEU 10 2HD2 LEU 10 -3.811 2.249 -3.096 75 H HIS 11 H HIS 11 -7.049 6.180 -1.628 76 HA HIS 11 HA HIS 11 -8.548 3.655 -1.281 77 HB2 HIS 11 1HB HIS 11 -9.596 5.179 0.281 78 HB3 HIS 11 2HB HIS 11 -9.579 6.496 -0.891 79 HD1 HIS 11 HD1 HIS 11 -11.652 6.784 -2.263 80 HD2 HIS 11 HD2 HIS 11 -11.488 3.024 -0.494 81 HE1 HIS 11 HE1 HIS 11 -13.837 5.682 -2.815 82 HE2 HIS 11 HE2 HIS 11 -13.768 3.465 -1.631 83 H LEU 12 H LEU 12 -9.205 2.845 -3.183 84 HA LEU 12 HA LEU 12 -9.475 4.625 -5.526 85 HB2 LEU 12 1HB LEU 12 -8.719 2.682 -6.947 86 HB3 LEU 12 2HB LEU 12 -7.475 3.436 -5.979 87 HG LEU 12 HG LEU 12 -8.806 0.827 -5.165 88 HD11 LEU 12 1HD1 LEU 12 -7.782 0.478 -7.368 89 HD12 LEU 12 2HD1 LEU 12 -6.899 -0.389 -6.115 90 HD13 LEU 12 3HD1 LEU 12 -6.246 1.117 -6.773 91 HD21 LEU 12 3HD2 LEU 12 -7.632 1.981 -3.344 92 HD22 LEU 12 1HD2 LEU 12 -6.165 2.066 -4.320 93 HD23 LEU 12 2HD2 LEU 12 -6.786 0.502 -3.789 94 H VAL 13 H VAL 13 -11.568 4.816 -5.776 95 HA VAL 13 HA VAL 13 -13.245 2.413 -6.227 96 HB VAL 13 HB VAL 13 -14.294 4.107 -4.745 97 HG11 VAL 13 1HG1 VAL 13 -13.113 6.115 -5.484 98 HG12 VAL 13 2HG1 VAL 13 -14.855 6.382 -5.533 99 HG13 VAL 13 3HG1 VAL 13 -13.966 6.084 -7.030 100 HG21 VAL 13 3HG2 VAL 13 -15.654 4.107 -7.472 101 HG22 VAL 13 1HG2 VAL 13 -16.429 4.467 -5.925 102 HG23 VAL 13 2HG2 VAL 13 -15.806 2.848 -6.244 103 H SER 14 H SER 14 -14.563 2.572 -8.452 104 HA SER 14 HA SER 14 -12.499 2.804 -10.439 105 HB2 SER 14 1HB SER 14 -14.158 1.819 -11.954 106 HB3 SER 14 2HB SER 14 -14.191 0.967 -10.432 107 HG SER 14 HG SER 14 -16.265 1.316 -10.773 108 H LEU 15 H LEU 15 -12.269 4.343 -11.992 109 HA LEU 15 HA LEU 15 -13.695 6.850 -11.738 110 HB2 LEU 15 1HB LEU 15 -11.506 5.999 -13.658 111 HB3 LEU 15 2HB LEU 15 -12.137 7.632 -13.522 112 HG LEU 15 HG LEU 15 -10.618 6.128 -11.343 113 HD11 LEU 15 1HD1 LEU 15 -9.151 6.859 -13.167 114 HD12 LEU 15 2HD1 LEU 15 -8.838 7.780 -11.699 115 HD13 LEU 15 3HD1 LEU 15 -9.759 8.510 -13.018 116 HD21 LEU 15 3HD2 LEU 15 -10.687 8.243 -10.057 117 HD22 LEU 15 1HD2 LEU 15 -12.308 7.602 -10.330 118 HD23 LEU 15 2HD2 LEU 15 -11.727 8.965 -11.288 119 HA PRO 16 HA PRO 16 -16.823 5.229 -14.559 120 HB2 PRO 16 1HB PRO 16 -18.506 7.385 -14.584 121 HB3 PRO 16 2HB PRO 16 -18.376 6.286 -13.201 122 HG2 PRO 16 1HG PRO 16 -17.068 8.977 -13.612 123 HG3 PRO 16 2HG PRO 16 -17.889 8.342 -12.166 124 HD2 PRO 16 1HD PRO 16 -15.178 8.340 -12.414 125 HD3 PRO 16 2HD PRO 16 -16.035 7.061 -11.530 126 H GLY 17 H GLY 17 -16.705 5.064 -16.677 127 HA2 GLY 17 1HA GLY 17 -17.135 6.936 -18.629 128 HA3 GLY 17 2HA GLY 17 -15.381 6.945 -18.403 129 H LEU 18 H LEU 18 -14.416 4.681 -18.260 130 HA LEU 18 HA LEU 18 -15.282 3.114 -20.597 131 HB2 LEU 18 1HB LEU 18 -12.888 3.799 -20.374 132 HB3 LEU 18 2HB LEU 18 -12.774 2.881 -18.883 133 HG LEU 18 HG LEU 18 -13.231 0.775 -20.178 134 HD11 LEU 18 1HD1 LEU 18 -14.454 1.725 -22.078 135 HD12 LEU 18 2HD1 LEU 18 -13.086 0.763 -22.622 136 HD13 LEU 18 3HD1 LEU 18 -12.986 2.526 -22.646 137 HD21 LEU 18 3HD2 LEU 18 -11.006 0.593 -21.219 138 HD22 LEU 18 1HD2 LEU 18 -10.921 1.388 -19.647 139 HD23 LEU 18 2HD2 LEU 18 -10.810 2.346 -21.126 140 H ASP 19 H ASP 19 -14.912 2.885 -17.114 141 HA ASP 19 HA ASP 19 -16.467 0.399 -17.027 142 HB2 ASP 19 1HB ASP 19 -14.167 -0.412 -17.003 143 HB3 ASP 19 2HB ASP 19 -13.716 0.752 -15.761 144 H GLN 20 H GLN 20 -17.952 0.475 -15.489 145 HA GLN 20 HA GLN 20 -17.604 2.179 -13.090 146 HB2 GLN 20 1HB GLN 20 -20.190 1.635 -14.636 147 HB3 GLN 20 2HB GLN 20 -20.142 2.376 -13.046 148 HG2 GLN 20 1HG GLN 20 -20.384 4.228 -14.404 149 HG3 GLN 20 2HG GLN 20 -18.639 4.183 -14.197 150 HE21 GLN 20 2HE2 GLN 20 -21.281 3.626 -16.417 151 HE22 GLN 20 1HE2 GLN 20 -20.339 3.624 -17.864 152 H GLN 21 H GLN 21 -16.681 -0.510 -13.247 153 HA GLN 21 HA GLN 21 -18.570 -2.339 -12.086 154 HB2 GLN 21 1HB GLN 21 -16.380 -3.004 -13.242 155 HB3 GLN 21 2HB GLN 21 -15.535 -2.463 -11.798 156 HG2 GLN 21 1HG GLN 21 -16.998 -4.139 -10.506 157 HG3 GLN 21 2HG GLN 21 -17.442 -4.803 -12.077 158 HE21 GLN 21 2HE2 GLN 21 -16.057 -6.090 -9.889 159 HE22 GLN 21 1HE2 GLN 21 -14.535 -6.614 -10.505 160 H ASP 22 H ASP 22 -18.420 -3.163 -9.793 161 HA ASP 22 HA ASP 22 -18.318 -0.902 -7.959 162 HB2 ASP 22 1HB ASP 22 -20.289 -2.488 -8.033 163 HB3 ASP 22 2HB ASP 22 -19.240 -3.760 -7.414 164 H ILE 23 H ILE 23 -15.816 -1.354 -8.726 165 HA ILE 23 HA ILE 23 -14.448 -2.870 -6.620 166 HB ILE 23 HB ILE 23 -12.339 -2.356 -7.699 167 HG12 ILE 23 1HG1 ILE 23 -12.752 -1.192 -10.196 168 HG13 ILE 23 2HG1 ILE 23 -13.828 -0.248 -9.179 169 HG21 ILE 23 1HG2 ILE 23 -14.411 -3.258 -9.707 170 HG22 ILE 23 2HG2 ILE 23 -13.593 -4.262 -8.511 171 HG23 ILE 23 3HG2 ILE 23 -12.672 -3.546 -9.832 172 HD11 ILE 23 3HD1 ILE 23 -11.643 0.794 -9.434 173 HD12 ILE 23 1HD1 ILE 23 -10.862 -0.622 -8.729 174 HD13 ILE 23 2HD1 ILE 23 -11.943 0.376 -7.748 175 H ASN 24 H ASN 24 -14.138 -2.007 -4.775 176 HA ASN 24 HA ASN 24 -13.683 0.872 -4.353 177 HB2 ASN 24 1HB ASN 24 -15.645 -0.749 -2.640 178 HB3 ASN 24 2HB ASN 24 -15.314 0.977 -2.556 179 HD21 ASN 24 2HD2 ASN 24 -16.969 -1.533 -4.322 180 HD22 ASN 24 1HD2 ASN 24 -18.022 -0.483 -5.197 181 H ILE 25 H ILE 25 -11.712 0.826 -3.370 182 HA ILE 25 HA ILE 25 -10.962 -1.537 -1.737 183 HB ILE 25 HB ILE 25 -9.167 -0.276 -3.854 184 HG12 ILE 25 1HG1 ILE 25 -10.602 -2.958 -3.984 185 HG13 ILE 25 2HG1 ILE 25 -11.050 -1.541 -4.909 186 HG21 ILE 25 1HG2 ILE 25 -7.874 -1.197 -1.982 187 HG22 ILE 25 2HG2 ILE 25 -7.641 -2.195 -3.415 188 HG23 ILE 25 3HG2 ILE 25 -8.712 -2.743 -2.126 189 HD11 ILE 25 3HD1 ILE 25 -9.860 -3.128 -6.274 190 HD12 ILE 25 1HD1 ILE 25 -8.489 -3.107 -5.167 191 HD13 ILE 25 2HD1 ILE 25 -8.901 -1.659 -6.088 192 H HIS 26 H HIS 26 -9.937 -1.050 0.038 193 HA HIS 26 HA HIS 26 -8.947 1.673 0.613 194 HB2 HIS 26 1HB HIS 26 -9.639 -0.573 2.583 195 HB3 HIS 26 2HB HIS 26 -9.233 1.092 2.978 196 HD1 HIS 26 HD1 HIS 26 -11.154 2.700 3.180 197 HD2 HIS 26 HD2 HIS 26 -12.286 -0.893 1.425 198 HE1 HIS 26 HE1 HIS 26 -13.656 2.751 3.103 199 HE2 HIS 26 HE2 HIS 26 -14.324 0.583 2.017 200 H ILE 27 H ILE 27 -6.740 1.743 0.426 201 HA ILE 27 HA ILE 27 -5.130 -0.586 1.314 202 HB ILE 27 HB ILE 27 -4.422 1.442 -0.865 203 HG12 ILE 27 1HG1 ILE 27 -4.986 -1.564 -1.036 204 HG13 ILE 27 2HG1 ILE 27 -6.016 -0.282 -1.658 205 HG21 ILE 27 1HG2 ILE 27 -2.405 0.877 0.430 206 HG22 ILE 27 2HG2 ILE 27 -2.312 0.154 -1.174 207 HG23 ILE 27 3HG2 ILE 27 -2.722 -0.848 0.220 208 HD11 ILE 27 3HD1 ILE 27 -4.811 -1.387 -3.439 209 HD12 ILE 27 1HD1 ILE 27 -3.268 -0.999 -2.678 210 HD13 ILE 27 2HD1 ILE 27 -4.294 0.294 -3.305 211 H ARG 28 H ARG 28 -4.291 -0.119 3.209 212 HA ARG 28 HA ARG 28 -3.471 2.612 3.965 213 HB2 ARG 28 1HB ARG 28 -4.071 0.129 5.639 214 HB3 ARG 28 2HB ARG 28 -3.355 1.593 6.314 215 HG2 ARG 28 1HG ARG 28 -5.325 2.868 5.876 216 HG3 ARG 28 2HG ARG 28 -6.024 1.587 4.885 217 HD2 ARG 28 1HD ARG 28 -7.110 1.675 7.067 218 HD3 ARG 28 2HD ARG 28 -6.241 0.155 6.868 219 HE ARG 28 HE ARG 28 -4.428 1.281 8.244 220 HH11 ARG 28 1HH1 ARG 28 -7.807 2.135 8.649 221 HH12 ARG 28 2HH1 ARG 28 -7.644 2.471 10.342 222 HH21 ARG 28 1HH2 ARG 28 -4.231 1.681 10.469 223 HH22 ARG 28 2HH2 ARG 28 -5.613 2.208 11.378 224 H TYR 29 H TYR 29 -1.321 3.001 4.123 225 HA TYR 29 HA TYR 29 0.496 0.717 4.634 226 HB2 TYR 29 1HB TYR 29 2.283 2.048 3.479 227 HB3 TYR 29 2HB TYR 29 0.995 1.529 2.409 228 HD1 TYR 29 HD2 TYR 29 -0.594 3.207 1.443 229 HD2 TYR 29 HD1 TYR 29 2.700 4.416 3.890 230 HE1 TYR 29 HE2 TYR 29 -0.846 5.523 0.656 231 HE2 TYR 29 HE1 TYR 29 2.436 6.719 3.102 232 HH TYR 29 HH TYR 29 1.501 7.943 1.298 233 H GLU 30 H GLU 30 1.227 0.795 6.622 234 HA GLU 30 HA GLU 30 1.244 3.344 8.142 235 HB2 GLU 30 1HB GLU 30 0.496 0.543 9.107 236 HB3 GLU 30 2HB GLU 30 0.533 1.993 10.111 237 HG2 GLU 30 1HG GLU 30 -1.344 2.949 8.963 238 HG3 GLU 30 2HG GLU 30 -1.268 1.733 7.687 239 H VAL 31 H VAL 31 3.309 3.842 8.491 240 HA VAL 31 HA VAL 31 5.402 1.846 8.442 241 HB VAL 31 HB VAL 31 5.608 4.856 8.931 242 HG11 VAL 31 1HG1 VAL 31 7.771 2.836 8.199 243 HG12 VAL 31 2HG1 VAL 31 7.615 3.684 9.739 244 HG13 VAL 31 3HG1 VAL 31 7.994 4.587 8.272 245 HG21 VAL 31 3HG2 VAL 31 6.255 4.974 6.524 246 HG22 VAL 31 1HG2 VAL 31 4.602 4.398 6.743 247 HG23 VAL 31 2HG2 VAL 31 5.890 3.257 6.351 248 H ARG 32 H ARG 32 5.926 0.729 10.154 249 HA ARG 32 HA ARG 32 6.040 1.979 12.840 250 HB2 ARG 32 1HB ARG 32 4.227 0.211 12.626 251 HB3 ARG 32 2HB ARG 32 5.477 -0.959 12.232 252 HG2 ARG 32 1HG ARG 32 6.512 -0.241 14.550 253 HG3 ARG 32 2HG ARG 32 4.894 0.383 14.872 254 HD2 ARG 32 1HD ARG 32 4.003 -1.913 14.329 255 HD3 ARG 32 2HD ARG 32 5.680 -2.463 14.228 256 HE ARG 32 HE ARG 32 5.903 -1.760 16.609 257 HH11 ARG 32 1HH1 ARG 32 2.699 -2.540 15.378 258 HH12 ARG 32 2HH1 ARG 32 2.094 -3.016 16.933 259 HH21 ARG 32 1HH2 ARG 32 5.070 -2.394 18.651 260 HH22 ARG 32 2HH2 ARG 32 3.422 -2.925 18.773 261 H GLN 33 H GLN 33 7.805 1.039 14.172 262 HA GLN 33 HA GLN 33 10.109 0.246 12.517 263 HB2 GLN 33 1HB GLN 33 10.239 1.568 15.252 264 HB3 GLN 33 2HB GLN 33 11.564 1.333 14.121 265 HG2 GLN 33 1HG GLN 33 9.210 3.201 13.723 266 HG3 GLN 33 2HG GLN 33 10.817 3.679 14.252 267 HE21 GLN 33 2HE2 GLN 33 8.845 2.794 11.549 268 HE22 GLN 33 1HE2 GLN 33 10.008 3.140 10.323 269 H ASN 34 H ASN 34 10.613 -1.851 12.709 270 HA ASN 34 HA ASN 34 10.381 -3.264 15.287 271 HB2 ASN 34 1HB ASN 34 11.276 -5.266 13.871 272 HB3 ASN 34 2HB ASN 34 9.633 -4.714 13.572 273 HD21 ASN 34 2HD2 ASN 34 12.291 -2.845 12.213 274 HD22 ASN 34 1HD2 ASN 34 12.030 -3.364 10.590 275 H ALA 35 H ALA 35 12.294 -4.311 16.209 276 HA ALA 35 HA ALA 35 14.638 -2.669 16.183 277 HB1 ALA 35 3HB ALA 35 15.527 -4.274 17.818 278 HB2 ALA 35 1HB ALA 35 14.213 -5.394 17.446 279 HB3 ALA 35 2HB ALA 35 13.860 -3.842 18.206 280 H GLU 36 H GLU 36 13.671 -5.515 14.454 281 HA GLU 36 HA GLU 36 16.269 -6.587 13.891 282 HB2 GLU 36 1HB GLU 36 14.301 -8.030 14.053 283 HB3 GLU 36 2HB GLU 36 13.526 -7.182 12.719 284 HG2 GLU 36 1HG GLU 36 15.238 -8.009 11.173 285 HG3 GLU 36 2HG GLU 36 16.065 -8.825 12.496 286 H SER 37 H SER 37 13.833 -4.927 11.834 287 HA SER 37 HA SER 37 15.861 -4.624 9.686 288 HB2 SER 37 1HB SER 37 13.839 -5.997 9.135 289 HB3 SER 37 2HB SER 37 12.816 -4.598 9.461 290 HG SER 37 HG SER 37 14.049 -5.247 7.207 291 H GLY 38 H GLY 38 14.461 -2.848 12.113 292 HA2 GLY 38 1HA GLY 38 14.622 -0.578 12.579 293 HA3 GLY 38 2HA GLY 38 15.208 -0.290 10.943 294 H ALA 39 H ALA 39 13.803 0.702 9.611 295 HA ALA 39 HA ALA 39 11.015 1.063 10.274 296 HB1 ALA 39 3HB ALA 39 12.293 2.866 9.172 297 HB2 ALA 39 1HB ALA 39 10.914 2.380 8.183 298 HB3 ALA 39 2HB ALA 39 12.542 1.847 7.753 299 H TYR 40 H TYR 40 9.310 -0.021 9.488 300 HA TYR 40 HA TYR 40 9.420 -1.412 6.924 301 HB2 TYR 40 1HB TYR 40 8.771 -3.554 7.624 302 HB3 TYR 40 2HB TYR 40 9.887 -3.112 8.904 303 HD1 TYR 40 HD1 TYR 40 8.933 -2.395 11.176 304 HD2 TYR 40 HD2 TYR 40 6.460 -4.063 8.108 305 HE1 TYR 40 HE1 TYR 40 7.204 -2.913 12.839 306 HE2 TYR 40 HE2 TYR 40 4.733 -4.574 9.774 307 HH TYR 40 HH TYR 40 4.627 -5.005 12.216 308 H VAL 41 H VAL 41 7.102 -2.058 6.286 309 HA VAL 41 HA VAL 41 5.161 -0.102 7.372 310 HB VAL 41 HB VAL 41 5.320 -0.774 4.407 311 HG11 VAL 41 1HG1 VAL 41 3.173 0.108 5.196 312 HG12 VAL 41 2HG1 VAL 41 3.973 1.277 4.147 313 HG13 VAL 41 3HG1 VAL 41 3.984 1.513 5.896 314 HG21 VAL 41 3HG2 VAL 41 6.462 1.376 3.998 315 HG22 VAL 41 1HG2 VAL 41 7.462 0.289 4.967 316 HG23 VAL 41 2HG2 VAL 41 6.616 1.631 5.739 317 H HIS 42 H HIS 42 3.355 -1.041 8.000 318 HA HIS 42 HA HIS 42 2.531 -3.707 7.205 319 HB2 HIS 42 1HB HIS 42 2.186 -3.258 9.533 320 HB3 HIS 42 2HB HIS 42 1.522 -1.661 9.221 321 HD1 HIS 42 HD1 HIS 42 0.544 -5.318 8.840 322 HD2 HIS 42 HD2 HIS 42 -1.227 -1.574 9.122 323 HE1 HIS 42 HE1 HIS 42 -1.919 -5.747 8.968 324 HE2 HIS 42 HE2 HIS 42 -2.960 -3.483 9.257 325 H PHE 43 H PHE 43 1.443 -3.924 5.301 326 HA PHE 43 HA PHE 43 -0.216 -1.712 4.273 327 HB2 PHE 43 1HB PHE 43 0.714 -4.251 2.853 328 HB3 PHE 43 2HB PHE 43 -0.116 -2.888 2.106 329 HD1 PHE 43 HD1 PHE 43 1.064 -0.642 1.989 330 HD2 PHE 43 HD2 PHE 43 3.102 -4.217 3.147 331 HE1 PHE 43 HE1 PHE 43 3.226 0.436 1.536 332 HE2 PHE 43 HE2 PHE 43 5.248 -3.127 2.690 333 HZ PHE 43 HZ PHE 43 5.323 -0.806 1.884 334 H ASP 44 H ASP 44 -2.254 -1.813 4.900 335 HA ASP 44 HA ASP 44 -3.624 -4.401 5.347 336 HB2 ASP 44 1HB ASP 44 -3.546 -2.971 7.330 337 HB3 ASP 44 2HB ASP 44 -4.153 -1.594 6.415 338 H MET 45 H MET 45 -5.138 -4.957 3.875 339 HA MET 45 HA MET 45 -6.397 -2.879 2.172 340 HB2 MET 45 1HB MET 45 -5.443 -5.645 1.323 341 HB3 MET 45 2HB MET 45 -6.497 -4.634 0.345 342 HG2 MET 45 1HG MET 45 -4.744 -2.948 0.151 343 HG3 MET 45 2HG MET 45 -3.689 -3.901 1.193 344 HE1 MET 45 3HE MET 45 -5.137 -5.519 -2.896 345 HE2 MET 45 1HE MET 45 -5.658 -3.947 -2.281 346 HE3 MET 45 2HE MET 45 -6.151 -5.427 -1.455 347 H ASP 46 H ASP 46 -8.538 -3.003 1.920 348 HA ASP 46 HA ASP 46 -10.058 -5.430 2.217 349 HB2 ASP 46 1HB ASP 46 -11.542 -4.678 4.025 350 HB3 ASP 46 2HB ASP 46 -9.885 -4.727 4.612 351 H GLY 47 H GLY 47 -12.411 -4.986 1.753 352 HA2 GLY 47 1HA GLY 47 -13.752 -2.703 1.287 353 HA3 GLY 47 2HA GLY 47 -12.774 -2.810 -0.176 354 H GLU 48 H GLU 48 -14.249 -3.290 -1.687 355 HA GLU 48 HA GLU 48 -15.507 -5.907 -1.712 356 HB2 GLU 48 1HB GLU 48 -17.775 -4.998 -2.205 357 HB3 GLU 48 2HB GLU 48 -17.228 -4.552 -0.592 358 HG2 GLU 48 1HG GLU 48 -16.460 -2.319 -1.703 359 HG3 GLU 48 2HG GLU 48 -17.508 -2.794 -3.036 360 H ILE 49 H ILE 49 -16.617 -6.125 -4.183 361 HA ILE 49 HA ILE 49 -15.262 -4.791 -6.146 362 HB ILE 49 HB ILE 49 -13.901 -7.433 -5.386 363 HG12 ILE 49 1HG1 ILE 49 -12.736 -4.679 -6.040 364 HG13 ILE 49 2HG1 ILE 49 -12.864 -5.375 -4.432 365 HG21 ILE 49 1HG2 ILE 49 -12.735 -7.316 -7.623 366 HG22 ILE 49 2HG2 ILE 49 -13.822 -5.998 -8.082 367 HG23 ILE 49 3HG2 ILE 49 -14.471 -7.605 -7.760 368 HD11 ILE 49 3HD1 ILE 49 -10.606 -5.481 -5.289 369 HD12 ILE 49 1HD1 ILE 49 -11.147 -6.429 -6.673 370 HD13 ILE 49 2HD1 ILE 49 -11.259 -7.100 -5.042 371 H ASP 50 H ASP 50 -17.010 -4.923 -7.436 372 HA ASP 50 HA ASP 50 -18.961 -5.566 -8.370 373 HB2 ASP 50 1HB ASP 50 -17.443 -7.166 -9.588 374 HB3 ASP 50 2HB ASP 50 -17.747 -8.370 -8.346 375 H GLY 51 H GLY 51 -19.124 -5.073 -5.787 376 HA2 GLY 51 1HA GLY 51 -20.788 -5.166 -4.199 377 HA3 GLY 51 2HA GLY 51 -21.381 -6.668 -4.880 378 H LYS 52 H LYS 52 -18.649 -7.912 -4.668 379 HA LYS 52 HA LYS 52 -19.216 -9.112 -2.089 380 HB2 LYS 52 1HB LYS 52 -17.503 -9.881 -4.463 381 HB3 LYS 52 2HB LYS 52 -17.537 -10.843 -2.982 382 HG2 LYS 52 1HG LYS 52 -19.914 -11.280 -3.245 383 HG3 LYS 52 2HG LYS 52 -20.001 -10.206 -4.643 384 HD2 LYS 52 1HD LYS 52 -18.343 -12.763 -4.541 385 HD3 LYS 52 2HD LYS 52 -19.970 -12.660 -5.221 386 HE2 LYS 52 1HE LYS 52 -17.541 -11.127 -6.212 387 HE3 LYS 52 2HE LYS 52 -18.263 -12.537 -6.988 388 HZ1 LYS 52 3HZ LYS 52 -19.570 -9.903 -6.593 389 HZ2 LYS 52 1HZ LYS 52 -20.302 -11.261 -7.280 390 HZ3 LYS 52 2HZ LYS 52 -18.995 -10.528 -8.054 391 HA PRO 53 HA PRO 53 -15.754 -6.952 -0.173 392 HB2 PRO 53 1HB PRO 53 -15.837 -8.073 2.297 393 HB3 PRO 53 2HB PRO 53 -17.105 -6.976 1.727 394 HG2 PRO 53 1HG PRO 53 -17.093 -9.998 1.766 395 HG3 PRO 53 2HG PRO 53 -18.366 -8.880 2.307 396 HD2 PRO 53 1HD PRO 53 -18.426 -10.093 -0.144 397 HD3 PRO 53 2HD PRO 53 -19.115 -8.478 0.139 398 H PHE 54 H PHE 54 -13.618 -7.300 0.662 399 HA PHE 54 HA PHE 54 -12.475 -9.975 0.805 400 HB2 PHE 54 1HB PHE 54 -10.761 -9.647 -0.870 401 HB3 PHE 54 2HB PHE 54 -12.296 -9.293 -1.647 402 HD1 PHE 54 HD1 PHE 54 -12.989 -6.709 -1.641 403 HD2 PHE 54 HD2 PHE 54 -8.984 -8.142 -1.185 404 HE1 PHE 54 HE1 PHE 54 -12.113 -4.525 -2.355 405 HE2 PHE 54 HE2 PHE 54 -8.123 -5.956 -1.900 406 HZ PHE 54 HZ PHE 54 -9.689 -4.152 -2.482 407 H SER 55 H SER 55 -10.540 -9.985 2.063 408 HA SER 55 HA SER 55 -9.417 -7.415 2.974 409 HB2 SER 55 1HB SER 55 -10.327 -9.633 4.865 410 HB3 SER 55 2HB SER 55 -9.460 -8.172 5.344 411 HG SER 55 HG SER 55 -11.598 -7.461 3.914 412 H ASP 56 H ASP 56 -7.343 -7.525 2.438 413 HA ASP 56 HA ASP 56 -5.742 -9.978 2.958 414 HB2 ASP 56 1HB ASP 56 -5.424 -8.034 0.613 415 HB3 ASP 56 2HB ASP 56 -4.350 -9.385 0.961 416 H SER 57 H SER 57 -3.721 -9.586 3.919 417 HA SER 57 HA SER 57 -2.758 -6.830 4.198 418 HB2 SER 57 1HB SER 57 -4.142 -7.265 6.229 419 HB3 SER 57 2HB SER 57 -3.126 -8.652 6.616 420 HG SER 57 HG SER 57 -1.395 -7.264 6.929 421 H PHE 58 H PHE 58 -0.619 -6.677 4.092 422 HA PHE 58 HA PHE 58 1.161 -8.946 4.576 423 HB2 PHE 58 1HB PHE 58 2.251 -8.755 2.367 424 HB3 PHE 58 2HB PHE 58 0.566 -9.212 2.197 425 HD1 PHE 58 HD2 PHE 58 -1.115 -7.505 1.360 426 HD2 PHE 58 HD1 PHE 58 3.093 -6.712 1.351 427 HE1 PHE 58 HE2 PHE 58 -1.451 -5.685 -0.265 428 HE2 PHE 58 HE1 PHE 58 2.743 -4.900 -0.271 429 HZ PHE 58 HZ PHE 58 0.475 -4.386 -1.086 430 H GLU 59 H GLU 59 3.333 -8.307 4.931 431 HA GLU 59 HA GLU 59 3.761 -5.396 5.337 432 HB2 GLU 59 1HB GLU 59 4.702 -7.719 7.076 433 HB3 GLU 59 2HB GLU 59 5.350 -6.090 7.215 434 HG2 GLU 59 1HG GLU 59 3.778 -6.306 8.957 435 HG3 GLU 59 2HG GLU 59 2.999 -5.310 7.737 436 H LEU 60 H LEU 60 5.609 -4.553 4.528 437 HA LEU 60 HA LEU 60 7.770 -6.344 3.576 438 HB2 LEU 60 1HB LEU 60 6.745 -3.831 2.193 439 HB3 LEU 60 2HB LEU 60 8.173 -4.724 1.706 440 HG LEU 60 HG LEU 60 5.365 -5.915 1.665 441 HD11 LEU 60 1HD1 LEU 60 5.452 -4.029 0.094 442 HD12 LEU 60 2HD1 LEU 60 5.364 -5.564 -0.765 443 HD13 LEU 60 3HD1 LEU 60 6.902 -4.704 -0.658 444 HD21 LEU 60 3HD2 LEU 60 7.966 -6.870 0.413 445 HD22 LEU 60 1HD2 LEU 60 6.385 -7.632 0.218 446 HD23 LEU 60 2HD2 LEU 60 7.150 -7.593 1.803 447 HA PRO 61 HA PRO 61 10.257 -3.571 6.225 448 HB2 PRO 61 1HB PRO 61 12.734 -4.320 5.266 449 HB3 PRO 61 2HB PRO 61 11.822 -5.267 6.441 450 HG2 PRO 61 1HG PRO 61 11.995 -5.635 3.451 451 HG3 PRO 61 2HG PRO 61 12.135 -6.855 4.739 452 HD2 PRO 61 1HD PRO 61 9.831 -6.534 3.389 453 HD3 PRO 61 2HD PRO 61 9.817 -6.888 5.133 454 H ARG 62 H ARG 62 11.648 -1.697 5.894 455 HA ARG 62 HA ARG 62 10.788 0.074 4.039 456 HB2 ARG 62 1HB ARG 62 12.391 1.611 4.773 457 HB3 ARG 62 2HB ARG 62 12.205 0.522 6.131 458 HG2 ARG 62 1HG ARG 62 14.508 0.430 4.156 459 HG3 ARG 62 2HG ARG 62 14.550 1.264 5.708 460 HD2 ARG 62 1HD ARG 62 14.282 -0.867 6.887 461 HD3 ARG 62 2HD ARG 62 14.146 -1.728 5.345 462 HE ARG 62 HE ARG 62 16.550 -0.244 5.382 463 HH11 ARG 62 1HH1 ARG 62 15.225 -3.127 6.908 464 HH12 ARG 62 2HH1 ARG 62 16.787 -3.847 7.126 465 HH21 ARG 62 1HH2 ARG 62 18.551 -1.215 5.681 466 HH22 ARG 62 2HH2 ARG 62 18.658 -2.778 6.426 467 H ASP 63 H ASP 63 13.451 -2.151 3.491 468 HA ASP 63 HA ASP 63 14.590 -0.880 1.201 469 HB2 ASP 63 1HB ASP 63 15.861 -2.364 2.712 470 HB3 ASP 63 2HB ASP 63 14.846 -3.727 2.264 471 H THR 64 H THR 64 11.861 -2.961 1.597 472 HA THR 64 HA THR 64 11.653 -3.506 -1.304 473 HB THR 64 HB THR 64 10.570 -5.700 -0.755 474 HG1 THR 64 HG1 THR 64 10.129 -6.154 1.259 475 HG21 THR 64 3HG2 THR 64 13.386 -5.447 0.384 476 HG22 THR 64 1HG2 THR 64 12.993 -5.680 -1.323 477 HG23 THR 64 2HG2 THR 64 12.618 -6.944 -0.149 478 H ALA 65 H ALA 65 10.444 -1.719 1.046 479 HA ALA 65 HA ALA 65 7.716 -2.238 1.352 480 HB1 ALA 65 3HB ALA 65 7.507 0.081 2.124 481 HB2 ALA 65 1HB ALA 65 9.080 0.475 1.419 482 HB3 ALA 65 2HB ALA 65 8.973 -0.660 2.765 483 H PHE 66 H PHE 66 9.373 -0.332 -1.091 484 HA PHE 66 HA PHE 66 7.104 0.825 -2.320 485 HB2 PHE 66 1HB PHE 66 9.787 0.422 -3.681 486 HB3 PHE 66 2HB PHE 66 8.612 1.703 -3.966 487 HD1 PHE 66 HD2 PHE 66 8.056 3.199 -1.810 488 HD2 PHE 66 HD1 PHE 66 11.637 0.915 -2.334 489 HE1 PHE 66 HE2 PHE 66 9.209 4.610 -0.159 490 HE2 PHE 66 HE1 PHE 66 12.775 2.328 -0.676 491 HZ PHE 66 HZ PHE 66 11.563 4.175 0.410 492 H ASN 67 H ASN 67 8.117 -2.380 -2.478 493 HA ASN 67 HA ASN 67 7.289 -3.014 -5.180 494 HB2 ASN 67 1HB ASN 67 7.825 -4.805 -2.773 495 HB3 ASN 67 2HB ASN 67 7.537 -5.391 -4.412 496 HD21 ASN 67 2HD2 ASN 67 9.859 -5.742 -2.675 497 HD22 ASN 67 1HD2 ASN 67 11.217 -5.135 -3.560 498 H PHE 68 H PHE 68 5.613 -2.126 -2.475 499 HA PHE 68 HA PHE 68 3.541 -3.995 -2.156 500 HB2 PHE 68 1HB PHE 68 2.517 -2.383 -0.730 501 HB3 PHE 68 2HB PHE 68 4.245 -2.084 -0.567 502 HD1 PHE 68 HD1 PHE 68 5.204 -0.266 -2.317 503 HD2 PHE 68 HD2 PHE 68 1.126 -0.498 -1.046 504 HE1 PHE 68 HE1 PHE 68 4.850 2.051 -3.031 505 HE2 PHE 68 HE2 PHE 68 0.787 1.829 -1.761 506 HZ PHE 68 HZ PHE 68 2.646 3.096 -2.762 507 H ALA 69 H ALA 69 3.956 -1.760 -4.816 508 HA ALA 69 HA ALA 69 1.219 -0.741 -4.739 509 HB1 ALA 69 3HB ALA 69 3.487 -0.169 -6.679 510 HB2 ALA 69 1HB ALA 69 3.041 0.815 -5.282 511 HB3 ALA 69 2HB ALA 69 1.927 0.659 -6.641 512 H SER 70 H SER 70 3.339 -2.591 -6.854 513 HA SER 70 HA SER 70 1.339 -3.362 -8.755 514 HB2 SER 70 1HB SER 70 4.080 -4.610 -8.260 515 HB3 SER 70 2HB SER 70 3.114 -4.725 -9.737 516 HG SER 70 HG SER 70 3.417 -2.512 -10.058 517 H ASP 71 H ASP 71 2.654 -4.693 -5.787 518 HA ASP 71 HA ASP 71 1.649 -7.354 -5.962 519 HB2 ASP 71 1HB ASP 71 3.540 -6.551 -4.478 520 HB3 ASP 71 2HB ASP 71 2.356 -5.746 -3.460 521 H ALA 72 H ALA 72 0.564 -4.585 -4.011 522 HA ALA 72 HA ALA 72 -1.841 -5.493 -3.018 523 HB1 ALA 72 3HB ALA 72 -1.187 -2.619 -3.765 524 HB2 ALA 72 1HB ALA 72 -0.770 -3.411 -2.244 525 HB3 ALA 72 2HB ALA 72 -2.464 -3.140 -2.659 526 H THR 73 H THR 73 -1.254 -3.834 -6.144 527 HA THR 73 HA THR 73 -3.921 -3.772 -7.038 528 HB THR 73 HB THR 73 -1.296 -3.853 -8.591 529 HG1 THR 73 HG1 THR 73 -1.681 -2.041 -7.189 530 HG21 THR 73 3HG2 THR 73 -4.062 -3.108 -9.621 531 HG22 THR 73 1HG2 THR 73 -3.133 -4.535 -10.096 532 HG23 THR 73 2HG2 THR 73 -2.550 -2.925 -10.510 533 H ARG 74 H ARG 74 -1.306 -6.105 -7.670 534 HA ARG 74 HA ARG 74 -2.591 -7.977 -9.239 535 HB2 ARG 74 1HB ARG 74 -0.132 -7.902 -8.707 536 HB3 ARG 74 2HB ARG 74 -0.480 -8.629 -7.143 537 HG2 ARG 74 1HG ARG 74 -1.390 -10.641 -8.324 538 HG3 ARG 74 2HG ARG 74 -0.941 -9.905 -9.866 539 HD2 ARG 74 1HD ARG 74 0.785 -11.468 -9.289 540 HD3 ARG 74 2HD ARG 74 1.456 -9.852 -9.042 541 HE ARG 74 HE ARG 74 0.460 -11.613 -6.868 542 HH11 ARG 74 1HH1 ARG 74 2.734 -9.148 -7.919 543 HH12 ARG 74 2HH1 ARG 74 3.642 -9.210 -6.445 544 HH21 ARG 74 1HH2 ARG 74 1.682 -11.679 -4.968 545 HH22 ARG 74 2HH2 ARG 74 3.041 -10.618 -4.775 546 H VAL 75 H VAL 75 -2.526 -7.846 -5.675 547 HA VAL 75 HA VAL 75 -3.899 -10.353 -5.358 548 HB VAL 75 HB VAL 75 -2.273 -9.526 -3.644 549 HG11 VAL 75 1HG1 VAL 75 -2.938 -7.873 -1.957 550 HG12 VAL 75 2HG1 VAL 75 -4.424 -7.544 -2.853 551 HG13 VAL 75 3HG1 VAL 75 -2.859 -7.159 -3.568 552 HG21 VAL 75 3HG2 VAL 75 -5.050 -10.106 -2.552 553 HG22 VAL 75 1HG2 VAL 75 -3.534 -10.284 -1.662 554 HG23 VAL 75 2HG2 VAL 75 -3.859 -11.304 -3.064 555 H ALA 76 H ALA 76 -4.871 -6.990 -5.663 556 HA ALA 76 HA ALA 76 -7.479 -7.243 -4.465 557 HB1 ALA 76 3HB ALA 76 -7.865 -4.990 -5.412 558 HB2 ALA 76 1HB ALA 76 -6.362 -5.112 -6.328 559 HB3 ALA 76 2HB ALA 76 -6.319 -5.067 -4.568 560 H GLN 77 H GLN 77 -6.153 -7.162 -7.756 561 HA GLN 77 HA GLN 77 -8.622 -7.262 -9.129 562 HB2 GLN 77 1HB GLN 77 -7.320 -7.625 -11.187 563 HB3 GLN 77 2HB GLN 77 -6.713 -6.291 -10.219 564 HG2 GLN 77 1HG GLN 77 -4.943 -7.887 -9.338 565 HG3 GLN 77 2HG GLN 77 -5.475 -9.024 -10.580 566 HE21 GLN 77 2HE2 GLN 77 -3.422 -8.933 -11.577 567 HE22 GLN 77 1HE2 GLN 77 -2.915 -7.572 -12.507 568 H LYS 78 H LYS 78 -6.747 -9.737 -7.700 569 HA LYS 78 HA LYS 78 -7.676 -12.014 -9.136 570 HB2 LYS 78 1HB LYS 78 -6.115 -11.503 -6.684 571 HB3 LYS 78 2HB LYS 78 -7.180 -12.879 -6.471 572 HG2 LYS 78 1HG LYS 78 -5.037 -13.659 -7.213 573 HG3 LYS 78 2HG LYS 78 -6.219 -13.929 -8.498 574 HD2 LYS 78 1HD LYS 78 -5.392 -11.894 -9.669 575 HD3 LYS 78 2HD LYS 78 -4.198 -11.654 -8.387 576 HE2 LYS 78 1HE LYS 78 -4.358 -14.008 -10.278 577 HE3 LYS 78 2HE LYS 78 -3.157 -12.722 -10.309 578 HZ1 LYS 78 3HZ LYS 78 -2.424 -13.453 -8.108 579 HZ2 LYS 78 1HZ LYS 78 -2.265 -14.663 -9.279 580 HZ3 LYS 78 2HZ LYS 78 -3.531 -14.729 -8.167 581 H HIS 79 H HIS 79 -9.277 -9.936 -6.919 582 HA HIS 79 HA HIS 79 -11.226 -11.927 -6.030 583 HB2 HIS 79 1HB HIS 79 -10.829 -9.010 -5.263 584 HB3 HIS 79 2HB HIS 79 -12.109 -10.031 -4.600 585 HD1 HIS 79 HD1 HIS 79 -11.204 -12.264 -3.339 586 HD2 HIS 79 HD2 HIS 79 -8.463 -9.195 -3.885 587 HE1 HIS 79 HE1 HIS 79 -9.308 -12.777 -1.785 588 HE2 HIS 79 HE2 HIS 79 -7.733 -10.829 -2.023 589 H GLY 80 H GLY 80 -11.082 -10.911 -8.899 590 HA2 GLY 80 1HA GLY 80 -12.868 -11.337 -10.365 591 HA3 GLY 80 2HA GLY 80 -14.006 -10.779 -9.151 592 H LEU 81 H LEU 81 -11.101 -9.275 -10.586 593 HA LEU 81 HA LEU 81 -12.491 -6.800 -11.156 594 HB2 LEU 81 1HB LEU 81 -9.716 -7.683 -11.026 595 HB3 LEU 81 2HB LEU 81 -9.965 -6.879 -12.553 596 HG LEU 81 HG LEU 81 -9.082 -5.350 -10.826 597 HD11 LEU 81 1HD1 LEU 81 -11.901 -4.622 -11.659 598 HD12 LEU 81 2HD1 LEU 81 -10.439 -4.412 -12.627 599 HD13 LEU 81 3HD1 LEU 81 -10.639 -3.504 -11.132 600 HD21 LEU 81 3HD2 LEU 81 -10.084 -6.391 -8.834 601 HD22 LEU 81 1HD2 LEU 81 -11.679 -5.813 -9.324 602 HD23 LEU 81 2HD2 LEU 81 -10.411 -4.662 -8.898 603 H HIS 82 H HIS 82 -12.841 -5.941 -13.214 604 HA HIS 82 HA HIS 82 -13.714 -7.690 -15.294 605 HB2 HIS 82 1HB HIS 82 -14.270 -5.636 -16.509 606 HB3 HIS 82 2HB HIS 82 -14.718 -5.420 -14.823 607 HD1 HIS 82 HD1 HIS 82 -12.584 -4.006 -17.485 608 HD2 HIS 82 HD2 HIS 82 -12.979 -3.630 -13.373 609 HE1 HIS 82 HE1 HIS 82 -11.320 -1.929 -16.879 610 HE2 HIS 82 HE2 HIS 82 -11.834 -1.586 -14.442 611 HA PRO 83 HA PRO 83 -10.155 -7.897 -18.272 612 HB2 PRO 83 1HB PRO 83 -12.096 -6.336 -20.015 613 HB3 PRO 83 2HB PRO 83 -11.023 -7.673 -20.465 614 HG2 PRO 83 1HG PRO 83 -13.614 -8.130 -20.036 615 HG3 PRO 83 2HG PRO 83 -12.395 -9.285 -19.449 616 HD2 PRO 83 1HD PRO 83 -14.033 -7.307 -17.903 617 HD3 PRO 83 2HD PRO 83 -13.390 -8.883 -17.395 618 H LYS 84 H LYS 84 -8.701 -6.545 -17.249 619 HA LYS 84 HA LYS 84 -9.069 -3.665 -17.084 620 HB2 LYS 84 1HB LYS 84 -8.176 -4.979 -15.177 621 HB3 LYS 84 2HB LYS 84 -6.778 -5.445 -16.141 622 HG2 LYS 84 1HG LYS 84 -6.105 -3.047 -16.272 623 HG3 LYS 84 2HG LYS 84 -7.478 -2.625 -15.243 624 HD2 LYS 84 1HD LYS 84 -6.544 -3.955 -13.404 625 HD3 LYS 84 2HD LYS 84 -5.209 -4.485 -14.435 626 HE2 LYS 84 1HE LYS 84 -4.424 -2.144 -14.605 627 HE3 LYS 84 2HE LYS 84 -5.753 -1.623 -13.568 628 HZ1 LYS 84 3HZ LYS 84 -3.583 -3.486 -12.797 629 HZ2 LYS 84 1HZ LYS 84 -4.854 -2.986 -11.802 630 HZ3 LYS 84 2HZ LYS 84 -3.708 -1.868 -12.336 631 H PHE 85 H PHE 85 -7.500 -5.842 -19.239 632 HA PHE 85 HA PHE 85 -5.248 -4.265 -20.035 633 HB2 PHE 85 1HB PHE 85 -6.616 -6.531 -21.547 634 HB3 PHE 85 2HB PHE 85 -5.003 -5.904 -21.872 635 HD1 PHE 85 HD2 PHE 85 -3.164 -6.272 -20.181 636 HD2 PHE 85 HD1 PHE 85 -6.985 -8.158 -19.791 637 HE1 PHE 85 HE2 PHE 85 -2.210 -7.892 -18.595 638 HE2 PHE 85 HE1 PHE 85 -6.019 -9.765 -18.201 639 HZ PHE 85 HZ PHE 85 -3.633 -9.637 -17.598 640 H GLY 86 H GLY 86 -8.549 -3.878 -20.689 641 HA2 GLY 86 1HA GLY 86 -8.375 -2.649 -23.298 642 HA3 GLY 86 2HA GLY 86 -9.759 -2.652 -22.218 643 H ALA 87 H ALA 87 -7.411 -1.586 -20.245 644 HA ALA 87 HA ALA 87 -8.136 1.165 -20.300 645 HB1 ALA 87 3HB ALA 87 -7.377 0.042 -18.233 646 HB2 ALA 87 1HB ALA 87 -6.380 1.458 -18.588 647 HB3 ALA 87 2HB ALA 87 -5.771 -0.163 -18.927 648 H ILE 88 H ILE 88 -7.220 2.853 -21.346 649 HA ILE 88 HA ILE 88 -5.348 2.371 -23.492 650 HB ILE 88 HB ILE 88 -5.757 4.615 -24.245 651 HG12 ILE 88 1HG1 ILE 88 -5.598 5.809 -22.020 652 HG13 ILE 88 2HG1 ILE 88 -6.921 6.374 -23.026 653 HG21 ILE 88 1HG2 ILE 88 -8.234 4.660 -24.438 654 HG22 ILE 88 2HG2 ILE 88 -8.340 3.441 -23.166 655 HG23 ILE 88 3HG2 ILE 88 -7.564 3.047 -24.700 656 HD11 ILE 88 3HD1 ILE 88 -7.545 6.238 -20.693 657 HD12 ILE 88 1HD1 ILE 88 -7.166 4.518 -20.667 658 HD13 ILE 88 2HD1 ILE 88 -8.496 5.117 -21.660 659 H THR 89 H THR 89 -3.526 4.001 -23.882 660 HA THR 89 HA THR 89 -1.593 3.697 -21.817 661 HB THR 89 HB THR 89 -0.989 3.633 -24.217 662 HG1 THR 89 HG1 THR 89 0.636 5.680 -23.680 663 HG21 THR 89 3HG2 THR 89 -0.768 5.702 -25.548 664 HG22 THR 89 1HG2 THR 89 -1.479 6.639 -24.235 665 HG23 THR 89 2HG2 THR 89 -2.452 5.441 -25.088 666 H ARG 90 H ARG 90 -3.774 6.307 -22.638 667 HA ARG 90 HA ARG 90 -2.308 8.324 -21.110 668 HB2 ARG 90 1HB ARG 90 -3.450 8.951 -23.232 669 HB3 ARG 90 2HB ARG 90 -5.003 8.515 -22.526 670 HG2 ARG 90 1HG ARG 90 -4.726 10.302 -20.825 671 HG3 ARG 90 2HG ARG 90 -3.179 10.749 -21.556 672 HD2 ARG 90 1HD ARG 90 -5.877 10.834 -22.944 673 HD3 ARG 90 2HD ARG 90 -5.031 12.234 -22.274 674 HE ARG 90 HE ARG 90 -3.636 10.642 -24.309 675 HH11 ARG 90 1HH1 ARG 90 -5.381 13.606 -23.583 676 HH12 ARG 90 2HH1 ARG 90 -4.857 14.401 -25.033 677 HH21 ARG 90 1HH2 ARG 90 -2.962 11.702 -26.191 678 HH22 ARG 90 2HH2 ARG 90 -3.503 13.320 -26.512 679 H VAL 91 H VAL 91 -2.417 7.143 -19.105 680 HA VAL 91 HA VAL 91 -4.768 7.892 -17.507 681 HB VAL 91 HB VAL 91 -4.603 5.691 -16.209 682 HG11 VAL 91 1HG1 VAL 91 -5.981 4.376 -17.802 683 HG12 VAL 91 2HG1 VAL 91 -5.506 5.466 -19.111 684 HG13 VAL 91 3HG1 VAL 91 -6.469 6.074 -17.764 685 HG21 VAL 91 3HG2 VAL 91 -3.000 4.760 -18.637 686 HG22 VAL 91 1HG2 VAL 91 -3.593 3.720 -17.338 687 HG23 VAL 91 2HG2 VAL 91 -2.376 4.949 -16.997 688 H HIS 92 H HIS 92 -4.207 8.611 -15.472 689 HA HIS 92 HA HIS 92 -1.319 8.831 -14.878 690 HB2 HIS 92 1HB HIS 92 -3.657 10.605 -14.085 691 HB3 HIS 92 2HB HIS 92 -2.063 10.746 -13.345 692 HD1 HIS 92 HD1 HIS 92 -3.985 12.149 -16.015 693 HD2 HIS 92 HD2 HIS 92 0.015 11.182 -15.466 694 HE1 HIS 92 HE1 HIS 92 -2.733 13.447 -17.755 695 HE2 HIS 92 HE2 HIS 92 -0.337 12.713 -17.508 696 H LYS 93 H LYS 93 -0.952 6.982 -13.813 697 HA LYS 93 HA LYS 93 -2.215 6.580 -11.172 698 HB2 LYS 93 1HB LYS 93 -0.316 4.806 -12.786 699 HB3 LYS 93 2HB LYS 93 -0.938 4.412 -11.187 700 HG2 LYS 93 1HG LYS 93 -2.635 4.771 -13.682 701 HG3 LYS 93 2HG LYS 93 -2.126 3.221 -13.014 702 HD2 LYS 93 1HD LYS 93 -3.774 5.201 -11.387 703 HD3 LYS 93 2HD LYS 93 -4.526 4.031 -12.465 704 HE2 LYS 93 1HE LYS 93 -4.534 3.184 -10.170 705 HE3 LYS 93 2HE LYS 93 -3.503 2.179 -11.179 706 HZ1 LYS 93 3HZ LYS 93 -2.527 4.290 -9.337 707 HZ2 LYS 93 1HZ LYS 93 -1.572 3.213 -10.229 708 HZ3 LYS 93 2HZ LYS 93 -2.560 2.641 -8.988 709 H GLU 94 H GLU 94 -1.248 8.079 -9.855 710 HA GLU 94 HA GLU 94 1.464 8.954 -10.180 711 HB2 GLU 94 1HB GLU 94 -0.530 9.502 -7.949 712 HB3 GLU 94 2HB GLU 94 1.066 10.238 -8.046 713 HG2 GLU 94 1HG GLU 94 0.446 11.274 -10.212 714 HG3 GLU 94 2HG GLU 94 -1.165 10.564 -10.076 715 H TYR 95 H TYR 95 2.488 6.942 -10.135 716 HA TYR 95 HA TYR 95 2.700 5.284 -7.814 717 HB2 TYR 95 1HB TYR 95 3.174 4.620 -10.253 718 HB3 TYR 95 2HB TYR 95 4.680 5.514 -10.135 719 HD1 TYR 95 HD1 TYR 95 6.391 4.722 -8.279 720 HD2 TYR 95 HD2 TYR 95 3.090 2.342 -9.592 721 HE1 TYR 95 HE1 TYR 95 7.481 2.712 -7.388 722 HE2 TYR 95 HE2 TYR 95 4.192 0.339 -8.701 723 HH TYR 95 HH TYR 95 6.823 0.478 -6.585 724 H ASP 96 H ASP 96 4.499 7.951 -9.222 725 HA ASP 96 HA ASP 96 6.840 7.792 -7.603 726 HB2 ASP 96 1HB ASP 96 5.775 10.083 -9.308 727 HB3 ASP 96 2HB ASP 96 7.384 10.039 -8.588 728 H ALA 97 H ALA 97 3.815 9.581 -7.342 729 HA ALA 97 HA ALA 97 4.591 11.426 -5.321 730 HB1 ALA 97 3HB ALA 97 2.615 11.796 -6.745 731 HB2 ALA 97 1HB ALA 97 2.169 11.834 -5.037 732 HB3 ALA 97 2HB ALA 97 1.811 10.407 -6.014 733 H MET 98 H MET 98 2.714 8.389 -5.118 734 HA MET 98 HA MET 98 2.733 8.071 -2.343 735 HB2 MET 98 1HB MET 98 1.372 6.853 -4.136 736 HB3 MET 98 2HB MET 98 2.764 5.811 -4.370 737 HG2 MET 98 1HG MET 98 2.583 5.002 -2.074 738 HG3 MET 98 2HG MET 98 1.256 6.122 -1.756 739 HE1 MET 98 3HE MET 98 -1.061 6.009 -3.337 740 HE2 MET 98 1HE MET 98 -1.407 4.641 -4.395 741 HE3 MET 98 2HE MET 98 -0.130 5.779 -4.817 742 H PHE 99 H PHE 99 4.973 6.859 -4.747 743 HA PHE 99 HA PHE 99 6.793 5.377 -3.280 744 HB2 PHE 99 1HB PHE 99 6.888 5.572 -5.754 745 HB3 PHE 99 2HB PHE 99 7.450 7.231 -5.613 746 HD1 PHE 99 HD2 PHE 99 8.388 3.685 -4.943 747 HD2 PHE 99 HD1 PHE 99 9.806 7.703 -5.319 748 HE1 PHE 99 HE2 PHE 99 10.710 2.876 -4.916 749 HE2 PHE 99 HE1 PHE 99 12.127 6.876 -5.288 750 HZ PHE 99 HZ PHE 99 12.578 4.465 -5.086 751 H GLU 100 H GLU 100 6.821 8.909 -3.812 752 HA GLU 100 HA GLU 100 9.194 9.307 -2.229 753 HB2 GLU 100 1HB GLU 100 8.946 11.689 -2.616 754 HB3 GLU 100 2HB GLU 100 8.805 10.790 -4.119 755 HG2 GLU 100 1HG GLU 100 6.353 11.073 -4.055 756 HG3 GLU 100 2HG GLU 100 6.500 11.979 -2.551 757 H ASP 101 H ASP 101 5.764 9.354 -1.639 758 HA ASP 101 HA ASP 101 5.758 10.735 0.837 759 HB2 ASP 101 1HB ASP 101 3.702 10.198 -0.549 760 HB3 ASP 101 2HB ASP 101 3.832 8.525 -0.018 761 H ILE 102 H ILE 102 5.601 7.220 0.193 762 HA ILE 102 HA ILE 102 6.035 6.307 2.791 763 HB ILE 102 HB ILE 102 6.761 4.890 0.183 764 HG12 ILE 102 1HG1 ILE 102 4.215 4.893 1.868 765 HG13 ILE 102 2HG1 ILE 102 4.394 5.485 0.222 766 HG21 ILE 102 1HG2 ILE 102 6.362 3.671 2.953 767 HG22 ILE 102 2HG2 ILE 102 7.900 3.816 2.101 768 HG23 ILE 102 3HG2 ILE 102 6.637 2.770 1.458 769 HD11 ILE 102 3HD1 ILE 102 3.215 3.403 0.237 770 HD12 ILE 102 1HD1 ILE 102 4.514 2.616 1.132 771 HD13 ILE 102 2HD1 ILE 102 4.788 3.168 -0.523 772 H ARG 103 H ARG 103 8.421 7.001 0.241 773 HA ARG 103 HA ARG 103 10.689 6.091 1.722 774 HB2 ARG 103 1HB ARG 103 12.060 6.760 -0.025 775 HB3 ARG 103 2HB ARG 103 10.536 6.491 -0.833 776 HG2 ARG 103 1HG ARG 103 11.230 8.420 -1.865 777 HG3 ARG 103 2HG ARG 103 10.251 9.099 -0.568 778 HD2 ARG 103 1HD ARG 103 12.136 9.813 0.644 779 HD3 ARG 103 2HD ARG 103 13.214 8.689 -0.187 780 HE ARG 103 HE ARG 103 12.000 10.977 -1.619 781 HH11 ARG 103 1HH1 ARG 103 14.888 9.286 -0.539 782 HH12 ARG 103 2HH1 ARG 103 15.952 10.225 -1.529 783 HH21 ARG 103 1HH2 ARG 103 13.423 12.219 -2.891 784 HH22 ARG 103 2HH2 ARG 103 15.130 11.889 -2.851 785 H ALA 104 H ALA 104 8.893 9.071 1.735 786 HA ALA 104 HA ALA 104 10.745 10.704 3.190 787 HB1 ALA 104 3HB ALA 104 8.885 11.692 1.904 788 HB2 ALA 104 1HB ALA 104 8.813 12.177 3.599 789 HB3 ALA 104 2HB ALA 104 7.717 10.934 2.987 790 H LYS 105 H LYS 105 7.813 8.860 4.143 791 HA LYS 105 HA LYS 105 7.917 9.154 6.890 792 HB2 LYS 105 1HB LYS 105 6.983 6.679 5.378 793 HB3 LYS 105 2HB LYS 105 6.509 7.132 7.009 794 HG2 LYS 105 1HG LYS 105 5.773 8.563 4.437 795 HG3 LYS 105 2HG LYS 105 4.704 7.591 5.447 796 HD2 LYS 105 1HD LYS 105 5.995 10.236 6.224 797 HD3 LYS 105 2HD LYS 105 4.307 9.995 5.772 798 HE2 LYS 105 1HE LYS 105 4.006 8.528 7.760 799 HE3 LYS 105 2HE LYS 105 5.682 8.838 8.224 800 HZ1 LYS 105 3HZ LYS 105 3.522 10.859 7.999 801 HZ2 LYS 105 1HZ LYS 105 5.135 11.201 8.375 802 HZ3 LYS 105 2HZ LYS 105 4.201 10.275 9.429 803 H LEU 106 H LEU 106 9.475 6.748 4.858 804 HA LEU 106 HA LEU 106 10.631 5.120 6.859 805 HB2 LEU 106 1HB LEU 106 10.991 5.477 3.898 806 HB3 LEU 106 2HB LEU 106 12.245 4.604 4.756 807 HG LEU 106 HG LEU 106 10.830 2.788 5.290 808 HD11 LEU 106 1HD1 LEU 106 8.923 3.956 6.224 809 HD12 LEU 106 2HD1 LEU 106 8.381 2.767 5.049 810 HD13 LEU 106 3HD1 LEU 106 8.409 4.476 4.618 811 HD21 LEU 106 3HD2 LEU 106 9.901 3.729 2.554 812 HD22 LEU 106 1HD2 LEU 106 9.825 2.073 3.165 813 HD23 LEU 106 2HD2 LEU 106 11.387 2.840 2.893 814 H HIS 107 H HIS 107 11.755 8.000 5.174 815 HA HIS 107 HA HIS 107 14.353 8.060 6.458 816 HB2 HIS 107 1HB HIS 107 13.717 9.030 4.133 817 HB3 HIS 107 2HB HIS 107 12.994 10.374 5.005 818 HD1 HIS 107 HD1 HIS 107 16.272 8.912 3.985 819 HD2 HIS 107 HD2 HIS 107 14.890 12.128 6.216 820 HE1 HIS 107 HE1 HIS 107 18.269 10.394 4.345 821 HE2 HIS 107 HE2 HIS 107 17.387 12.369 5.627 822 H ALA 108 H ALA 108 11.149 9.003 7.258 823 HA ALA 108 HA ALA 108 10.126 9.894 9.034 824 HB1 ALA 108 3HB ALA 108 11.303 10.184 11.170 825 HB2 ALA 108 1HB ALA 108 12.859 10.014 10.353 826 HB3 ALA 108 2HB ALA 108 11.743 8.650 10.421 827 H HIS 109 H HIS 109 11.582 11.476 6.869 828 HA HIS 109 HA HIS 109 11.062 14.178 7.837 829 HB2 HIS 109 1HB HIS 109 13.797 13.364 6.733 830 HB3 HIS 109 2HB HIS 109 13.289 15.026 6.998 831 HD1 HIS 109 HD1 HIS 109 14.655 12.054 8.757 832 HD2 HIS 109 HD2 HIS 109 13.102 15.779 9.763 833 HE1 HIS 109 HE1 HIS 109 15.266 12.414 11.162 834 HE2 HIS 109 HE2 HIS 109 14.441 14.725 11.706 835 HA PRO 110 HA PRO 110 9.259 14.917 3.782 836 HB2 PRO 110 1HB PRO 110 11.253 17.199 3.600 837 HB3 PRO 110 2HB PRO 110 9.532 17.184 3.174 838 HG2 PRO 110 1HG PRO 110 10.322 18.218 5.505 839 HG3 PRO 110 2HG PRO 110 8.848 17.228 5.421 840 HD2 PRO 110 1HD PRO 110 11.538 16.531 6.543 841 HD3 PRO 110 2HD PRO 110 9.929 15.957 7.029 842 H GLY 111 H GLY 111 9.627 13.702 2.052 843 HA2 GLY 111 1HA GLY 111 12.351 12.875 1.323 844 HA3 GLY 111 2HA GLY 111 10.850 12.078 0.883 845 H GLU 112 H GLU 112 10.117 15.162 0.208 846 HA GLU 112 HA GLU 112 10.506 14.983 -2.598 847 HB2 GLU 112 1HB GLU 112 9.789 17.415 -2.612 848 HB3 GLU 112 2HB GLU 112 8.674 16.323 -1.796 849 HG2 GLU 112 1HG GLU 112 9.572 17.059 0.396 850 HG3 GLU 112 2HG GLU 112 10.666 18.165 -0.429 851 HA PRO 113 HA PRO 113 14.847 16.185 -2.223 852 HB2 PRO 113 1HB PRO 113 15.728 15.188 -4.583 853 HB3 PRO 113 2HB PRO 113 15.210 14.141 -3.256 854 HG2 PRO 113 1HG PRO 113 13.808 14.788 -5.809 855 HG3 PRO 113 2HG PRO 113 13.719 13.325 -4.810 856 HD2 PRO 113 1HD PRO 113 11.870 15.529 -4.845 857 HD3 PRO 113 2HD PRO 113 11.843 14.118 -3.770 858 H VAL 114 H VAL 114 15.512 18.220 -2.361 859 HA VAL 114 HA VAL 114 14.920 19.982 -4.582 860 HB VAL 114 HB VAL 114 15.165 20.796 -2.201 861 HG11 VAL 114 1HG1 VAL 114 18.138 20.272 -2.590 862 HG12 VAL 114 2HG1 VAL 114 17.064 19.409 -1.488 863 HG13 VAL 114 3HG1 VAL 114 17.408 21.117 -1.220 864 HG21 VAL 114 3HG2 VAL 114 15.296 22.416 -4.032 865 HG22 VAL 114 1HG2 VAL 114 17.025 22.110 -4.227 866 HG23 VAL 114 2HG2 VAL 114 16.422 22.877 -2.756 867 H ASP 115 H ASP 115 16.592 20.902 -5.972 868 HA ASP 115 HA ASP 115 18.747 18.958 -6.605 869 HB2 ASP 115 1HB ASP 115 17.261 20.796 -8.530 870 HB3 ASP 115 2HB ASP 115 18.464 19.585 -8.965 871 H LEU 116 H LEU 116 18.767 21.546 -4.911 872 HA LEU 116 HA LEU 116 20.088 23.571 -6.405 873 HB2 LEU 116 1HB LEU 116 20.454 24.729 -4.283 874 HB3 LEU 116 2HB LEU 116 18.822 24.116 -4.405 875 HG LEU 116 HG LEU 116 19.691 22.146 -2.878 876 HD11 LEU 116 1HD1 LEU 116 22.085 22.637 -2.917 877 HD12 LEU 116 2HD1 LEU 116 21.459 22.767 -1.276 878 HD13 LEU 116 3HD1 LEU 116 21.796 24.229 -2.209 879 HD21 LEU 116 3HD2 LEU 116 19.125 23.420 -0.843 880 HD22 LEU 116 1HD2 LEU 116 18.010 23.781 -2.159 881 HD23 LEU 116 2HD2 LEU 116 19.278 24.934 -1.736 882 H GLU 117 H GLU 117 21.300 20.722 -4.881 883 HA GLU 117 HA GLU 117 24.117 21.582 -5.223 884 HB2 GLU 117 1HB GLU 117 23.439 21.147 -2.865 885 HB3 GLU 117 2HB GLU 117 22.957 19.516 -3.298 886 HG2 GLU 117 1HG GLU 117 25.137 19.617 -2.122 887 HG3 GLU 117 2HG GLU 117 25.243 18.873 -3.716 888 H ARG 118 H ARG 118 21.785 19.833 -6.725 889 HA ARG 118 HA ARG 118 23.010 17.282 -7.133 890 HB2 ARG 118 1HB ARG 118 20.523 17.780 -7.167 891 HB3 ARG 118 2HB ARG 118 20.747 18.541 -8.738 892 HG2 ARG 118 1HG ARG 118 21.585 16.315 -9.604 893 HG3 ARG 118 2HG ARG 118 21.159 15.612 -8.041 894 HD2 ARG 118 1HD ARG 118 18.805 16.376 -8.400 895 HD3 ARG 118 2HD ARG 118 19.266 16.921 -10.017 896 HE ARG 118 HE ARG 118 20.017 14.286 -9.927 897 HH11 ARG 118 1HH1 ARG 118 16.971 15.996 -9.469 898 HH12 ARG 118 2HH1 ARG 118 16.016 14.658 -10.025 899 HH21 ARG 118 1HH2 ARG 118 18.747 12.559 -10.645 900 HH22 ARG 118 2HH2 ARG 118 17.023 12.719 -10.695 901 H ILE 119 H ILE 119 23.744 20.224 -8.446 902 HA ILE 119 HA ILE 119 24.540 19.494 -11.111 903 HB ILE 119 HB ILE 119 25.392 21.919 -9.433 904 HG12 ILE 119 1HG1 ILE 119 23.671 23.132 -11.038 905 HG13 ILE 119 2HG1 ILE 119 23.001 21.527 -11.284 906 HG21 ILE 119 1HG2 ILE 119 25.955 23.010 -11.596 907 HG22 ILE 119 2HG2 ILE 119 25.611 21.493 -12.433 908 HG23 ILE 119 3HG2 ILE 119 26.944 21.583 -11.283 909 HD11 ILE 119 3HD1 ILE 119 21.774 22.827 -9.630 910 HD12 ILE 119 1HD1 ILE 119 23.221 22.952 -8.631 911 HD13 ILE 119 2HD1 ILE 119 22.472 21.377 -8.912 912 H ILE 120 H ILE 120 25.696 18.675 -8.083 913 HA ILE 120 HA ILE 120 27.529 17.790 -7.150 914 HB ILE 120 HB ILE 120 28.609 17.252 -9.960 915 HG12 ILE 120 1HG1 ILE 120 26.294 16.386 -9.879 916 HG13 ILE 120 2HG1 ILE 120 27.432 15.047 -9.902 917 HG21 ILE 120 1HG2 ILE 120 29.084 15.761 -7.350 918 HG22 ILE 120 2HG2 ILE 120 30.232 16.822 -8.165 919 HG23 ILE 120 3HG2 ILE 120 29.741 15.309 -8.926 920 HD11 ILE 120 3HD1 ILE 120 25.552 14.656 -8.403 921 HD12 ILE 120 1HD1 ILE 120 25.985 16.080 -7.457 922 HD13 ILE 120 2HD1 ILE 120 27.075 14.691 -7.519 923 H ARG 121 H ARG 121 27.601 20.186 -6.767 924 HA ARG 121 HA ARG 121 29.119 21.923 -8.452 925 HB2 ARG 121 1HB ARG 121 28.059 22.437 -5.644 926 HB3 ARG 121 2HB ARG 121 28.485 23.657 -6.844 927 HG2 ARG 121 1HG ARG 121 26.596 23.115 -8.209 928 HG3 ARG 121 2HG ARG 121 26.277 21.617 -7.318 929 HD2 ARG 121 1HD ARG 121 24.668 23.380 -6.741 930 HD3 ARG 121 2HD ARG 121 25.629 22.888 -5.348 931 HE ARG 121 HE ARG 121 26.240 25.340 -6.876 932 HH11 ARG 121 1HH1 ARG 121 25.664 23.763 -3.784 933 HH12 ARG 121 2HH1 ARG 121 25.783 25.241 -2.880 934 HH21 ARG 121 1HH2 ARG 121 26.426 27.254 -5.672 935 HH22 ARG 121 2HH2 ARG 121 26.219 27.220 -3.950 936 H HIS 122 H HIS 122 31.216 21.085 -8.507 937 HA HIS 122 HA HIS 122 32.793 20.823 -6.081 938 HB2 HIS 122 1HB HIS 122 34.601 20.075 -7.522 939 HB3 HIS 122 2HB HIS 122 33.123 19.290 -8.058 940 HD1 HIS 122 HD1 HIS 122 32.087 20.199 -10.350 941 HD2 HIS 122 HD2 HIS 122 35.910 21.565 -9.447 942 HE1 HIS 122 HE1 HIS 122 32.992 21.148 -12.485 943 HE2 HIS 122 HE2 HIS 122 35.374 21.764 -11.965 944 H GLU 123 H GLU 123 34.077 22.364 -5.233 945 HA GLU 123 HA GLU 123 34.077 25.052 -6.247 946 HB2 GLU 123 1HB GLU 123 34.141 24.450 -3.807 947 HB3 GLU 123 2HB GLU 123 35.774 23.826 -4.029 948 HG2 GLU 123 1HG GLU 123 36.523 26.102 -4.689 949 HG3 GLU 123 2HG GLU 123 34.898 26.716 -4.390 950 H GLY 124 H GLY 124 36.366 22.360 -6.197 951 HA2 GLY 124 1HA GLY 124 37.722 23.049 -8.549 952 HA3 GLY 124 2HA GLY 124 38.673 23.653 -7.191 953 H SER 125 H SER 125 40.339 22.157 -7.854 954 HA SER 125 HA SER 125 39.833 19.282 -7.498 955 HB2 SER 125 1HB SER 125 42.347 20.739 -8.448 956 HB3 SER 125 2HB SER 125 42.110 18.988 -8.440 957 HG SER 125 HG SER 125 41.523 19.499 -10.445 Start of MODEL 12 1 H1 GLN 1 1H GLN 1 -2.814 0.956 -10.811 2 H2 GLN 1 2H GLN 1 -3.569 1.941 -11.957 3 H3 GLN 1 3H GLN 1 -3.938 0.298 -11.878 4 HA GLN 1 HA GLN 1 -5.670 1.675 -10.935 5 HB2 GLN 1 1HB GLN 1 -5.736 0.443 -8.648 6 HB3 GLN 1 2HB GLN 1 -5.692 -0.539 -10.102 7 HG2 GLN 1 1HG GLN 1 -4.251 -1.574 -8.508 8 HG3 GLN 1 2HG GLN 1 -3.231 -0.870 -9.750 9 HE21 GLN 1 2HE2 GLN 1 -4.208 -0.712 -6.405 10 HE22 GLN 1 1HE2 GLN 1 -2.951 0.346 -5.878 11 H GLY 2 H GLY 2 -6.053 2.393 -8.347 12 HA2 GLY 2 1HA GLY 2 -5.575 4.020 -6.747 13 HA3 GLY 2 2HA GLY 2 -4.062 4.391 -7.566 14 H HIS 3 H HIS 3 -6.629 5.938 -6.673 15 HA HIS 3 HA HIS 3 -6.822 7.645 -9.074 16 HB2 HIS 3 1HB HIS 3 -8.753 6.120 -9.192 17 HB3 HIS 3 2HB HIS 3 -9.205 6.500 -7.535 18 HD1 HIS 3 HD1 HIS 3 -10.602 8.596 -7.161 19 HD2 HIS 3 HD2 HIS 3 -9.294 8.206 -11.080 20 HE1 HIS 3 HE1 HIS 3 -11.820 10.358 -8.451 21 HE2 HIS 3 HE2 HIS 3 -10.875 10.226 -10.771 22 H MET 4 H MET 4 -7.162 7.180 -5.633 23 HA MET 4 HA MET 4 -6.838 10.074 -5.128 24 HB2 MET 4 1HB MET 4 -8.622 8.055 -3.693 25 HB3 MET 4 2HB MET 4 -8.097 9.532 -2.900 26 HG2 MET 4 1HG MET 4 -9.677 9.470 -5.476 27 HG3 MET 4 2HG MET 4 -10.389 9.644 -3.870 28 HE1 MET 4 3HE MET 4 -8.039 11.514 -2.490 29 HE2 MET 4 1HE MET 4 -9.770 11.738 -2.226 30 HE3 MET 4 2HE MET 4 -8.769 13.100 -2.733 31 H PHE 5 H PHE 5 -4.600 10.002 -4.720 32 HA PHE 5 HA PHE 5 -3.726 8.262 -2.480 33 HB2 PHE 5 1HB PHE 5 -2.333 7.982 -4.496 34 HB3 PHE 5 2HB PHE 5 -2.028 9.715 -4.562 35 HD1 PHE 5 HD1 PHE 5 -1.507 6.700 -2.389 36 HD2 PHE 5 HD2 PHE 5 -0.157 10.634 -3.393 37 HE1 PHE 5 HE1 PHE 5 0.426 6.434 -0.893 38 HE2 PHE 5 HE2 PHE 5 1.775 10.351 -1.901 39 HZ PHE 5 HZ PHE 5 2.065 8.256 -0.649 40 H GLU 6 H GLU 6 -2.728 9.155 -0.718 41 HA GLU 6 HA GLU 6 -2.258 12.003 -0.423 42 HB2 GLU 6 1HB GLU 6 -3.708 12.206 1.593 43 HB3 GLU 6 2HB GLU 6 -4.660 11.821 0.161 44 HG2 GLU 6 1HG GLU 6 -4.613 9.398 0.895 45 HG3 GLU 6 2HG GLU 6 -3.877 9.937 2.404 46 HA PRO 7 HA PRO 7 1.040 10.357 2.172 47 HB2 PRO 7 1HB PRO 7 1.245 12.288 4.151 48 HB3 PRO 7 2HB PRO 7 1.901 12.471 2.520 49 HG2 PRO 7 1HG PRO 7 -0.707 13.493 3.643 50 HG3 PRO 7 2HG PRO 7 0.480 14.340 2.624 51 HD2 PRO 7 1HD PRO 7 -1.773 13.307 1.572 52 HD3 PRO 7 2HD PRO 7 -0.241 13.252 0.670 53 H GLY 8 H GLY 8 -0.112 8.503 2.856 54 HA2 GLY 8 1HA GLY 8 -0.086 7.514 5.215 55 HA3 GLY 8 2HA GLY 8 -1.449 8.584 5.502 56 H HIS 9 H HIS 9 -2.274 8.037 2.550 57 HA HIS 9 HA HIS 9 -3.419 5.363 2.823 58 HB2 HIS 9 1HB HIS 9 -4.842 6.814 4.281 59 HB3 HIS 9 2HB HIS 9 -5.202 7.832 2.895 60 HD1 HIS 9 HD1 HIS 9 -7.084 7.067 1.360 61 HD2 HIS 9 HD2 HIS 9 -6.064 4.231 4.215 62 HE1 HIS 9 HE1 HIS 9 -8.859 5.309 1.225 63 HE2 HIS 9 HE2 HIS 9 -8.397 3.828 3.201 64 H LEU 10 H LEU 10 -4.425 4.591 0.940 65 HA LEU 10 HA LEU 10 -4.463 6.238 -1.486 66 HB2 LEU 10 1HB LEU 10 -2.410 4.918 -1.616 67 HB3 LEU 10 2HB LEU 10 -3.265 3.457 -1.150 68 HG LEU 10 HG LEU 10 -4.504 3.497 -3.326 69 HD11 LEU 10 1HD1 LEU 10 -4.462 5.898 -3.803 70 HD12 LEU 10 2HD1 LEU 10 -3.788 4.984 -5.148 71 HD13 LEU 10 3HD1 LEU 10 -2.713 5.842 -4.042 72 HD21 LEU 10 3HD2 LEU 10 -2.637 2.770 -4.742 73 HD22 LEU 10 1HD2 LEU 10 -2.450 2.153 -3.102 74 HD23 LEU 10 2HD2 LEU 10 -1.479 3.525 -3.644 75 H HIS 11 H HIS 11 -6.554 6.326 -1.912 76 HA HIS 11 HA HIS 11 -8.316 3.968 -1.702 77 HB2 HIS 11 1HB HIS 11 -9.202 6.093 -0.742 78 HB3 HIS 11 2HB HIS 11 -9.006 6.882 -2.297 79 HD1 HIS 11 HD1 HIS 11 -11.399 7.362 -2.873 80 HD2 HIS 11 HD2 HIS 11 -10.856 3.398 -1.752 81 HE1 HIS 11 HE1 HIS 11 -13.582 6.228 -3.327 82 HE2 HIS 11 HE2 HIS 11 -13.306 3.908 -2.406 83 H LEU 12 H LEU 12 -8.756 2.831 -3.506 84 HA LEU 12 HA LEU 12 -8.275 4.059 -6.153 85 HB2 LEU 12 1HB LEU 12 -7.841 1.668 -6.966 86 HB3 LEU 12 2HB LEU 12 -6.569 2.448 -6.056 87 HG LEU 12 HG LEU 12 -8.473 0.498 -4.728 88 HD11 LEU 12 1HD1 LEU 12 -7.481 -0.688 -6.643 89 HD12 LEU 12 2HD1 LEU 12 -6.851 -1.304 -5.119 90 HD13 LEU 12 3HD1 LEU 12 -5.861 -0.226 -6.110 91 HD21 LEU 12 3HD2 LEU 12 -6.622 0.215 -3.130 92 HD22 LEU 12 1HD2 LEU 12 -7.115 1.904 -3.234 93 HD23 LEU 12 2HD2 LEU 12 -5.641 1.366 -4.042 94 H VAL 13 H VAL 13 -9.908 4.118 -7.434 95 HA VAL 13 HA VAL 13 -11.972 2.009 -7.432 96 HB VAL 13 HB VAL 13 -13.634 3.696 -8.276 97 HG11 VAL 13 1HG1 VAL 13 -13.689 3.069 -5.904 98 HG12 VAL 13 2HG1 VAL 13 -14.147 4.760 -6.101 99 HG13 VAL 13 3HG1 VAL 13 -12.534 4.349 -5.514 100 HG21 VAL 13 3HG2 VAL 13 -12.095 5.407 -9.158 101 HG22 VAL 13 1HG2 VAL 13 -11.542 5.786 -7.524 102 HG23 VAL 13 2HG2 VAL 13 -13.207 6.131 -7.997 103 H SER 14 H SER 14 -12.995 1.963 -9.809 104 HA SER 14 HA SER 14 -10.724 2.145 -11.689 105 HB2 SER 14 1HB SER 14 -11.335 -0.213 -11.072 106 HB3 SER 14 2HB SER 14 -12.980 0.073 -11.640 107 HG SER 14 HG SER 14 -11.587 0.781 -13.663 108 H LEU 15 H LEU 15 -11.167 3.794 -13.045 109 HA LEU 15 HA LEU 15 -13.728 4.843 -13.656 110 HB2 LEU 15 1HB LEU 15 -11.188 4.983 -15.338 111 HB3 LEU 15 2HB LEU 15 -12.598 6.019 -15.513 112 HG LEU 15 HG LEU 15 -10.651 5.979 -13.173 113 HD11 LEU 15 1HD1 LEU 15 -10.137 8.282 -13.856 114 HD12 LEU 15 2HD1 LEU 15 -11.237 8.126 -15.228 115 HD13 LEU 15 3HD1 LEU 15 -9.783 7.127 -15.141 116 HD21 LEU 15 3HD2 LEU 15 -11.949 7.830 -12.190 117 HD22 LEU 15 1HD2 LEU 15 -12.913 6.360 -12.292 118 HD23 LEU 15 2HD2 LEU 15 -13.172 7.664 -13.454 119 HA PRO 16 HA PRO 16 -15.775 1.807 -15.925 120 HB2 PRO 16 1HB PRO 16 -16.766 3.302 -18.142 121 HB3 PRO 16 2HB PRO 16 -17.555 3.053 -16.583 122 HG2 PRO 16 1HG PRO 16 -15.876 5.366 -17.506 123 HG3 PRO 16 2HG PRO 16 -17.335 5.371 -16.490 124 HD2 PRO 16 1HD PRO 16 -14.936 5.707 -15.383 125 HD3 PRO 16 2HD PRO 16 -16.145 4.682 -14.578 126 H GLY 17 H GLY 17 -14.521 3.760 -18.655 127 HA2 GLY 17 1HA GLY 17 -13.224 3.238 -20.465 128 HA3 GLY 17 2HA GLY 17 -12.443 2.036 -19.454 129 H LEU 18 H LEU 18 -13.296 -0.092 -19.400 130 HA LEU 18 HA LEU 18 -14.630 -0.966 -21.850 131 HB2 LEU 18 1HB LEU 18 -13.891 -3.162 -21.381 132 HB3 LEU 18 2HB LEU 18 -12.548 -2.126 -20.958 133 HG LEU 18 HG LEU 18 -14.428 -3.452 -18.947 134 HD11 LEU 18 1HD1 LEU 18 -11.582 -4.215 -19.672 135 HD12 LEU 18 2HD1 LEU 18 -13.037 -5.107 -20.117 136 HD13 LEU 18 3HD1 LEU 18 -12.581 -4.966 -18.422 137 HD21 LEU 18 3HD2 LEU 18 -12.818 -2.771 -17.214 138 HD22 LEU 18 1HD2 LEU 18 -13.482 -1.364 -18.044 139 HD23 LEU 18 2HD2 LEU 18 -11.853 -1.923 -18.423 140 H ASP 19 H ASP 19 -15.159 -0.883 -18.367 141 HA ASP 19 HA ASP 19 -18.005 -1.055 -18.466 142 HB2 ASP 19 1HB ASP 19 -16.464 -3.583 -17.858 143 HB3 ASP 19 2HB ASP 19 -17.808 -3.232 -16.783 144 H GLN 20 H GLN 20 -18.869 -0.320 -16.532 145 HA GLN 20 HA GLN 20 -17.024 0.862 -14.630 146 HB2 GLN 20 1HB GLN 20 -19.035 2.102 -15.439 147 HB3 GLN 20 2HB GLN 20 -20.076 0.896 -14.690 148 HG2 GLN 20 1HG GLN 20 -19.128 1.530 -12.466 149 HG3 GLN 20 2HG GLN 20 -18.196 2.800 -13.257 150 HE21 GLN 20 2HE2 GLN 20 -19.246 4.402 -12.029 151 HE22 GLN 20 1HE2 GLN 20 -20.873 4.883 -12.335 152 H GLN 21 H GLN 21 -16.127 -1.114 -13.749 153 HA GLN 21 HA GLN 21 -17.810 -2.888 -12.166 154 HB2 GLN 21 1HB GLN 21 -15.721 -3.651 -13.404 155 HB3 GLN 21 2HB GLN 21 -14.772 -2.756 -12.226 156 HG2 GLN 21 1HG GLN 21 -15.685 -4.179 -10.422 157 HG3 GLN 21 2HG GLN 21 -16.609 -5.093 -11.615 158 HE21 GLN 21 2HE2 GLN 21 -14.648 -6.118 -9.787 159 HE22 GLN 21 1HE2 GLN 21 -13.376 -6.810 -10.731 160 H ASP 22 H ASP 22 -17.898 -2.950 -9.917 161 HA ASP 22 HA ASP 22 -17.406 -0.380 -8.615 162 HB2 ASP 22 1HB ASP 22 -19.653 -1.403 -8.443 163 HB3 ASP 22 2HB ASP 22 -18.972 -2.839 -7.687 164 H ILE 23 H ILE 23 -15.034 -1.056 -8.865 165 HA ILE 23 HA ILE 23 -14.130 -2.554 -6.489 166 HB ILE 23 HB ILE 23 -12.037 -2.826 -7.391 167 HG12 ILE 23 1HG1 ILE 23 -11.175 -1.225 -9.384 168 HG13 ILE 23 2HG1 ILE 23 -12.277 -0.081 -8.636 169 HG21 ILE 23 1HG2 ILE 23 -12.171 -3.312 -9.808 170 HG22 ILE 23 2HG2 ILE 23 -13.678 -2.399 -9.903 171 HG23 ILE 23 3HG2 ILE 23 -13.598 -3.868 -8.929 172 HD11 ILE 23 3HD1 ILE 23 -11.031 -0.274 -6.532 173 HD12 ILE 23 1HD1 ILE 23 -9.993 0.214 -7.871 174 HD13 ILE 23 2HD1 ILE 23 -9.945 -1.446 -7.281 175 H ASN 24 H ASN 24 -13.680 -1.552 -4.693 176 HA ASN 24 HA ASN 24 -12.724 1.183 -4.605 177 HB2 ASN 24 1HB ASN 24 -14.490 1.944 -2.992 178 HB3 ASN 24 2HB ASN 24 -15.109 1.660 -4.611 179 HD21 ASN 24 2HD2 ASN 24 -16.445 -0.188 -4.965 180 HD22 ASN 24 1HD2 ASN 24 -17.268 -0.955 -3.664 181 H ILE 25 H ILE 25 -11.061 1.063 -3.310 182 HA ILE 25 HA ILE 25 -10.953 -0.950 -1.149 183 HB ILE 25 HB ILE 25 -8.711 -0.605 -3.194 184 HG12 ILE 25 1HG1 ILE 25 -10.750 -2.855 -2.982 185 HG13 ILE 25 2HG1 ILE 25 -10.612 -1.714 -4.300 186 HG21 ILE 25 1HG2 ILE 25 -9.024 -2.637 -0.950 187 HG22 ILE 25 2HG2 ILE 25 -7.916 -1.264 -0.955 188 HG23 ILE 25 3HG2 ILE 25 -7.689 -2.577 -2.108 189 HD11 ILE 25 3HD1 ILE 25 -9.744 -3.869 -4.917 190 HD12 ILE 25 1HD1 ILE 25 -8.614 -3.846 -3.567 191 HD13 ILE 25 2HD1 ILE 25 -8.439 -2.685 -4.887 192 H HIS 26 H HIS 26 -9.875 -0.288 0.573 193 HA HIS 26 HA HIS 26 -8.651 2.387 0.699 194 HB2 HIS 26 1HB HIS 26 -9.233 0.541 3.062 195 HB3 HIS 26 2HB HIS 26 -9.029 2.285 3.068 196 HD1 HIS 26 HD1 HIS 26 -11.399 0.758 4.384 197 HD2 HIS 26 HD2 HIS 26 -11.535 2.560 0.648 198 HE1 HIS 26 HE1 HIS 26 -13.817 1.254 3.967 199 HE2 HIS 26 HE2 HIS 26 -13.890 2.147 1.621 200 H ILE 27 H ILE 27 -6.399 2.408 0.776 201 HA ILE 27 HA ILE 27 -5.001 0.015 1.832 202 HB ILE 27 HB ILE 27 -4.011 1.869 -0.389 203 HG12 ILE 27 1HG1 ILE 27 -4.720 -1.107 -0.408 204 HG13 ILE 27 2HG1 ILE 27 -5.612 0.177 -1.209 205 HG21 ILE 27 1HG2 ILE 27 -2.134 1.295 1.099 206 HG22 ILE 27 2HG2 ILE 27 -1.954 0.461 -0.442 207 HG23 ILE 27 3HG2 ILE 27 -2.525 -0.422 0.977 208 HD11 ILE 27 3HD1 ILE 27 -4.319 -1.116 -2.790 209 HD12 ILE 27 1HD1 ILE 27 -2.829 -0.767 -1.915 210 HD13 ILE 27 2HD1 ILE 27 -3.709 0.536 -2.720 211 H ARG 28 H ARG 28 -4.468 0.553 3.822 212 HA ARG 28 HA ARG 28 -3.319 3.197 4.444 213 HB2 ARG 28 1HB ARG 28 -4.153 0.856 6.201 214 HB3 ARG 28 2HB ARG 28 -3.268 2.249 6.822 215 HG2 ARG 28 1HG ARG 28 -5.138 3.718 6.117 216 HG3 ARG 28 2HG ARG 28 -6.038 2.297 5.579 217 HD2 ARG 28 1HD ARG 28 -6.746 3.054 7.834 218 HD3 ARG 28 2HD ARG 28 -6.076 1.422 7.864 219 HE ARG 28 HE ARG 28 -4.265 2.163 9.083 220 HH11 ARG 28 1HH1 ARG 28 -6.152 4.968 8.102 221 HH12 ARG 28 2HH1 ARG 28 -5.291 6.050 9.147 222 HH21 ARG 28 1HH2 ARG 28 -3.155 3.590 10.436 223 HH22 ARG 28 2HH2 ARG 28 -3.596 5.270 10.473 224 H TYR 29 H TYR 29 -1.154 3.384 4.327 225 HA TYR 29 HA TYR 29 0.504 0.975 4.812 226 HB2 TYR 29 1HB TYR 29 2.307 2.074 3.529 227 HB3 TYR 29 2HB TYR 29 0.881 1.828 2.543 228 HD1 TYR 29 HD2 TYR 29 -0.516 3.809 1.850 229 HD2 TYR 29 HD1 TYR 29 3.200 4.314 3.911 230 HE1 TYR 29 HE2 TYR 29 -0.436 6.157 1.140 231 HE2 TYR 29 HE1 TYR 29 3.272 6.664 3.195 232 HH TYR 29 HH TYR 29 2.364 8.093 1.488 233 H GLU 30 H GLU 30 1.358 0.968 6.748 234 HA GLU 30 HA GLU 30 1.694 3.483 8.297 235 HB2 GLU 30 1HB GLU 30 0.790 0.751 9.334 236 HB3 GLU 30 2HB GLU 30 0.877 2.249 10.260 237 HG2 GLU 30 1HG GLU 30 -0.976 3.201 9.036 238 HG3 GLU 30 2HG GLU 30 -0.966 1.873 7.878 239 H VAL 31 H VAL 31 3.833 3.767 8.563 240 HA VAL 31 HA VAL 31 5.748 1.638 8.408 241 HB VAL 31 HB VAL 31 6.190 4.548 9.215 242 HG11 VAL 31 1HG1 VAL 31 8.207 2.447 8.301 243 HG12 VAL 31 2HG1 VAL 31 8.091 3.138 9.920 244 HG13 VAL 31 3HG1 VAL 31 8.567 4.157 8.561 245 HG21 VAL 31 3HG2 VAL 31 6.903 4.856 6.851 246 HG22 VAL 31 1HG2 VAL 31 5.205 4.397 6.979 247 HG23 VAL 31 2HG2 VAL 31 6.410 3.202 6.493 248 H ARG 32 H ARG 32 6.493 0.427 9.979 249 HA ARG 32 HA ARG 32 6.718 1.330 12.749 250 HB2 ARG 32 1HB ARG 32 4.489 0.162 12.467 251 HB3 ARG 32 2HB ARG 32 5.333 -1.277 11.936 252 HG2 ARG 32 1HG ARG 32 5.971 -0.159 14.668 253 HG3 ARG 32 2HG ARG 32 4.445 -1.007 14.431 254 HD2 ARG 32 1HD ARG 32 5.711 -2.967 13.551 255 HD3 ARG 32 2HD ARG 32 7.217 -2.128 13.922 256 HE ARG 32 HE ARG 32 5.867 -2.167 16.297 257 HH11 ARG 32 1HH1 ARG 32 6.934 -4.656 14.038 258 HH12 ARG 32 2HH1 ARG 32 7.095 -5.869 15.263 259 HH21 ARG 32 1HH2 ARG 32 6.094 -3.773 17.888 260 HH22 ARG 32 2HH2 ARG 32 6.606 -5.369 17.443 261 H GLN 33 H GLN 33 8.336 -0.008 13.887 262 HA GLN 33 HA GLN 33 10.374 -1.003 12.016 263 HB2 GLN 33 1HB GLN 33 10.706 -0.330 14.967 264 HB3 GLN 33 2HB GLN 33 11.992 -0.663 13.806 265 HG2 GLN 33 1HG GLN 33 10.132 1.738 13.799 266 HG3 GLN 33 2HG GLN 33 11.826 1.728 14.287 267 HE21 GLN 33 2HE2 GLN 33 9.611 1.781 11.625 268 HE22 GLN 33 1HE2 GLN 33 10.783 2.028 10.384 269 H ASN 34 H ASN 34 10.769 -3.090 11.816 270 HA ASN 34 HA ASN 34 9.913 -5.069 13.812 271 HB2 ASN 34 1HB ASN 34 10.212 -6.743 12.030 272 HB3 ASN 34 2HB ASN 34 9.159 -5.450 11.457 273 HD21 ASN 34 2HD2 ASN 34 10.447 -3.660 10.202 274 HD22 ASN 34 1HD2 ASN 34 11.646 -4.248 9.106 275 H ALA 35 H ALA 35 11.432 -6.559 14.647 276 HA ALA 35 HA ALA 35 14.081 -5.536 15.066 277 HB1 ALA 35 3HB ALA 35 14.382 -7.486 16.523 278 HB2 ALA 35 1HB ALA 35 12.899 -8.208 15.883 279 HB3 ALA 35 2HB ALA 35 12.823 -6.718 16.824 280 H GLU 36 H GLU 36 12.791 -7.381 12.563 281 HA GLU 36 HA GLU 36 14.951 -9.179 12.000 282 HB2 GLU 36 1HB GLU 36 12.731 -9.797 11.327 283 HB3 GLU 36 2HB GLU 36 12.487 -8.275 10.495 284 HG2 GLU 36 1HG GLU 36 14.371 -9.066 8.904 285 HG3 GLU 36 2HG GLU 36 14.096 -10.661 9.602 286 H SER 37 H SER 37 13.811 -6.159 10.455 287 HA SER 37 HA SER 37 16.337 -5.963 8.919 288 HB2 SER 37 1HB SER 37 14.930 -5.282 6.953 289 HB3 SER 37 2HB SER 37 14.683 -6.949 7.450 290 HG SER 37 HG SER 37 12.708 -6.489 8.110 291 H GLY 38 H GLY 38 14.490 -4.506 11.117 292 HA2 GLY 38 1HA GLY 38 14.831 -2.357 12.044 293 HA3 GLY 38 2HA GLY 38 15.479 -1.803 10.501 294 H ALA 39 H ALA 39 14.119 -0.637 9.215 295 HA ALA 39 HA ALA 39 11.402 -0.141 9.981 296 HB1 ALA 39 3HB ALA 39 12.786 1.595 8.907 297 HB2 ALA 39 1HB ALA 39 11.290 1.319 8.011 298 HB3 ALA 39 2HB ALA 39 12.815 0.663 7.409 299 H TYR 40 H TYR 40 9.506 -0.794 9.083 300 HA TYR 40 HA TYR 40 9.383 -1.986 6.449 301 HB2 TYR 40 1HB TYR 40 8.391 -4.065 6.912 302 HB3 TYR 40 2HB TYR 40 9.586 -3.966 8.191 303 HD1 TYR 40 HD1 TYR 40 8.763 -3.242 10.542 304 HD2 TYR 40 HD2 TYR 40 6.059 -4.432 7.440 305 HE1 TYR 40 HE1 TYR 40 7.024 -3.663 12.203 306 HE2 TYR 40 HE2 TYR 40 4.324 -4.837 9.122 307 HH TYR 40 HH TYR 40 4.166 -5.359 11.525 308 H VAL 41 H VAL 41 6.930 -2.327 5.910 309 HA VAL 41 HA VAL 41 5.282 -0.300 7.309 310 HB VAL 41 HB VAL 41 5.223 -0.765 4.296 311 HG11 VAL 41 1HG1 VAL 41 3.935 1.399 5.998 312 HG12 VAL 41 2HG1 VAL 41 3.101 0.039 5.242 313 HG13 VAL 41 3HG1 VAL 41 3.849 1.280 4.237 314 HG21 VAL 41 3HG2 VAL 41 6.544 1.527 5.788 315 HG22 VAL 41 1HG2 VAL 41 6.325 1.436 4.038 316 HG23 VAL 41 2HG2 VAL 41 7.367 0.275 4.860 317 H HIS 42 H HIS 42 3.389 -1.039 7.932 318 HA HIS 42 HA HIS 42 2.376 -3.663 7.175 319 HB2 HIS 42 1HB HIS 42 2.412 -2.935 9.580 320 HB3 HIS 42 2HB HIS 42 1.319 -1.615 9.193 321 HD1 HIS 42 HD1 HIS 42 1.344 -5.002 10.405 322 HD2 HIS 42 HD2 HIS 42 -1.340 -2.685 8.231 323 HE1 HIS 42 HE1 HIS 42 -0.861 -6.178 10.578 324 HE2 HIS 42 HE2 HIS 42 -2.447 -4.812 9.197 325 H PHE 43 H PHE 43 1.230 -3.689 5.307 326 HA PHE 43 HA PHE 43 -0.391 -1.383 4.460 327 HB2 PHE 43 1HB PHE 43 0.256 -3.940 2.923 328 HB3 PHE 43 2HB PHE 43 -0.473 -2.477 2.269 329 HD1 PHE 43 HD1 PHE 43 0.907 -0.367 2.107 330 HD2 PHE 43 HD2 PHE 43 2.659 -4.130 3.143 331 HE1 PHE 43 HE1 PHE 43 3.137 0.514 1.573 332 HE2 PHE 43 HE2 PHE 43 4.878 -3.233 2.603 333 HZ PHE 43 HZ PHE 43 5.124 -0.918 1.817 334 H ASP 44 H ASP 44 -2.610 -1.514 4.265 335 HA ASP 44 HA ASP 44 -3.989 -4.011 5.051 336 HB2 ASP 44 1HB ASP 44 -3.769 -2.584 7.061 337 HB3 ASP 44 2HB ASP 44 -4.489 -1.227 6.202 338 H MET 45 H MET 45 -5.666 -4.461 3.730 339 HA MET 45 HA MET 45 -6.757 -2.372 1.931 340 HB2 MET 45 1HB MET 45 -6.178 -5.289 1.230 341 HB3 MET 45 2HB MET 45 -6.959 -4.127 0.165 342 HG2 MET 45 1HG MET 45 -4.893 -2.787 0.128 343 HG3 MET 45 2HG MET 45 -4.112 -3.961 1.181 344 HE1 MET 45 3HE MET 45 -6.624 -4.765 -1.800 345 HE2 MET 45 1HE MET 45 -5.485 -4.967 -3.132 346 HE3 MET 45 2HE MET 45 -5.714 -3.378 -2.402 347 H ASP 46 H ASP 46 -8.963 -2.220 1.934 348 HA ASP 46 HA ASP 46 -10.689 -4.483 2.416 349 HB2 ASP 46 1HB ASP 46 -11.738 -3.826 4.465 350 HB3 ASP 46 2HB ASP 46 -10.010 -3.748 4.781 351 H GLY 47 H GLY 47 -12.992 -3.882 2.208 352 HA2 GLY 47 1HA GLY 47 -14.294 -1.603 1.760 353 HA3 GLY 47 2HA GLY 47 -13.347 -1.698 0.274 354 H GLU 48 H GLU 48 -14.622 -2.387 -1.315 355 HA GLU 48 HA GLU 48 -15.773 -5.003 -1.193 356 HB2 GLU 48 1HB GLU 48 -18.098 -4.370 -1.813 357 HB3 GLU 48 2HB GLU 48 -17.655 -3.878 -0.186 358 HG2 GLU 48 1HG GLU 48 -17.234 -1.553 -1.127 359 HG3 GLU 48 2HG GLU 48 -17.981 -2.113 -2.622 360 H ILE 49 H ILE 49 -17.107 -5.206 -3.684 361 HA ILE 49 HA ILE 49 -15.397 -4.390 -5.647 362 HB ILE 49 HB ILE 49 -14.694 -7.192 -4.594 363 HG12 ILE 49 1HG1 ILE 49 -12.823 -4.793 -4.974 364 HG13 ILE 49 2HG1 ILE 49 -13.439 -5.342 -3.420 365 HG21 ILE 49 1HG2 ILE 49 -13.193 -7.365 -6.583 366 HG22 ILE 49 2HG2 ILE 49 -13.795 -5.809 -7.161 367 HG23 ILE 49 3HG2 ILE 49 -14.887 -7.189 -7.050 368 HD11 ILE 49 3HD1 ILE 49 -11.156 -6.052 -3.789 369 HD12 ILE 49 1HD1 ILE 49 -11.633 -6.921 -5.247 370 HD13 ILE 49 2HD1 ILE 49 -12.232 -7.442 -3.669 371 H ASP 50 H ASP 50 -17.115 -4.415 -7.048 372 HA ASP 50 HA ASP 50 -19.135 -4.825 -7.963 373 HB2 ASP 50 1HB ASP 50 -18.386 -7.746 -7.480 374 HB3 ASP 50 2HB ASP 50 -19.755 -7.222 -8.458 375 H GLY 51 H GLY 51 -19.117 -4.059 -5.324 376 HA2 GLY 51 1HA GLY 51 -20.628 -3.725 -3.636 377 HA3 GLY 51 2HA GLY 51 -21.660 -4.967 -4.314 378 H LYS 52 H LYS 52 -19.109 -6.822 -4.098 379 HA LYS 52 HA LYS 52 -19.965 -8.002 -1.614 380 HB2 LYS 52 1HB LYS 52 -17.868 -8.819 -3.664 381 HB3 LYS 52 2HB LYS 52 -18.322 -9.806 -2.272 382 HG2 LYS 52 1HG LYS 52 -20.655 -9.914 -3.137 383 HG3 LYS 52 2HG LYS 52 -20.158 -8.984 -4.556 384 HD2 LYS 52 1HD LYS 52 -18.620 -10.783 -5.219 385 HD3 LYS 52 2HD LYS 52 -19.030 -11.703 -3.768 386 HE2 LYS 52 1HE LYS 52 -20.207 -12.559 -5.762 387 HE3 LYS 52 2HE LYS 52 -21.337 -11.950 -4.552 388 HZ1 LYS 52 3HZ LYS 52 -21.913 -11.263 -6.804 389 HZ2 LYS 52 1HZ LYS 52 -20.440 -10.452 -6.949 390 HZ3 LYS 52 2HZ LYS 52 -21.581 -9.932 -5.818 391 HA PRO 53 HA PRO 53 -16.732 -5.770 0.682 392 HB2 PRO 53 1HB PRO 53 -17.290 -6.697 3.178 393 HB3 PRO 53 2HB PRO 53 -18.356 -5.560 2.340 394 HG2 PRO 53 1HG PRO 53 -18.606 -8.565 2.569 395 HG3 PRO 53 2HG PRO 53 -19.850 -7.320 2.835 396 HD2 PRO 53 1HD PRO 53 -19.660 -8.689 0.488 397 HD3 PRO 53 2HD PRO 53 -20.198 -6.996 0.550 398 H PHE 54 H PHE 54 -14.677 -6.195 1.711 399 HA PHE 54 HA PHE 54 -13.924 -8.921 2.418 400 HB2 PHE 54 1HB PHE 54 -12.099 -9.202 0.904 401 HB3 PHE 54 2HB PHE 54 -13.436 -8.673 -0.098 402 HD1 PHE 54 HD1 PHE 54 -13.529 -5.953 -0.406 403 HD2 PHE 54 HD2 PHE 54 -10.008 -8.232 0.473 404 HE1 PHE 54 HE1 PHE 54 -12.123 -4.155 -1.324 405 HE2 PHE 54 HE2 PHE 54 -8.618 -6.423 -0.446 406 HZ PHE 54 HZ PHE 54 -9.671 -4.388 -1.344 407 H SER 55 H SER 55 -11.916 -9.047 3.569 408 HA SER 55 HA SER 55 -10.440 -6.565 4.152 409 HB2 SER 55 1HB SER 55 -10.293 -7.287 6.580 410 HB3 SER 55 2HB SER 55 -11.912 -6.813 6.073 411 HG SER 55 HG SER 55 -10.906 -9.445 6.433 412 H ASP 56 H ASP 56 -8.422 -6.940 3.490 413 HA ASP 56 HA ASP 56 -6.983 -9.416 4.166 414 HB2 ASP 56 1HB ASP 56 -7.990 -9.549 1.782 415 HB3 ASP 56 2HB ASP 56 -6.920 -8.227 1.346 416 H SER 57 H SER 57 -4.697 -9.022 4.427 417 HA SER 57 HA SER 57 -3.637 -6.344 3.939 418 HB2 SER 57 1HB SER 57 -2.922 -6.054 6.338 419 HB3 SER 57 2HB SER 57 -4.675 -6.023 6.131 420 HG SER 57 HG SER 57 -4.776 -8.120 6.894 421 H PHE 58 H PHE 58 -1.374 -6.231 3.966 422 HA PHE 58 HA PHE 58 0.183 -8.679 4.467 423 HB2 PHE 58 1HB PHE 58 1.335 -8.490 2.289 424 HB3 PHE 58 2HB PHE 58 -0.380 -8.774 2.077 425 HD1 PHE 58 HD2 PHE 58 -1.879 -6.858 1.329 426 HD2 PHE 58 HD1 PHE 58 2.388 -6.527 1.358 427 HE1 PHE 58 HE2 PHE 58 -2.007 -4.930 -0.199 428 HE2 PHE 58 HE1 PHE 58 2.244 -4.609 -0.171 429 HZ PHE 58 HZ PHE 58 0.053 -3.808 -0.951 430 H GLU 59 H GLU 59 2.426 -8.300 4.850 431 HA GLU 59 HA GLU 59 3.203 -5.477 5.375 432 HB2 GLU 59 1HB GLU 59 3.923 -7.954 7.007 433 HB3 GLU 59 2HB GLU 59 4.523 -6.327 7.319 434 HG2 GLU 59 1HG GLU 59 2.341 -5.553 7.945 435 HG3 GLU 59 2HG GLU 59 1.591 -7.038 7.385 436 H LEU 60 H LEU 60 5.100 -4.839 4.490 437 HA LEU 60 HA LEU 60 7.009 -6.865 3.458 438 HB2 LEU 60 1HB LEU 60 6.182 -4.270 2.093 439 HB3 LEU 60 2HB LEU 60 7.479 -5.319 1.545 440 HG LEU 60 HG LEU 60 4.540 -6.117 1.659 441 HD11 LEU 60 1HD1 LEU 60 6.237 -5.353 -0.734 442 HD12 LEU 60 2HD1 LEU 60 4.907 -4.412 -0.049 443 HD13 LEU 60 3HD1 LEU 60 4.585 -5.977 -0.794 444 HD21 LEU 60 3HD2 LEU 60 6.934 -7.585 0.490 445 HD22 LEU 60 1HD2 LEU 60 5.246 -8.089 0.350 446 HD23 LEU 60 2HD2 LEU 60 6.023 -8.054 1.930 447 HA PRO 61 HA PRO 61 10.063 -4.477 5.842 448 HB2 PRO 61 1HB PRO 61 12.321 -5.339 4.508 449 HB3 PRO 61 2HB PRO 61 11.482 -6.308 5.728 450 HG2 PRO 61 1HG PRO 61 11.196 -6.402 2.713 451 HG3 PRO 61 2HG PRO 61 11.447 -7.743 3.851 452 HD2 PRO 61 1HD PRO 61 8.994 -7.207 2.943 453 HD3 PRO 61 2HD PRO 61 9.224 -7.636 4.657 454 H ARG 62 H ARG 62 11.353 -2.631 5.546 455 HA ARG 62 HA ARG 62 10.898 -0.647 3.842 456 HB2 ARG 62 1HB ARG 62 13.135 0.300 4.364 457 HB3 ARG 62 2HB ARG 62 12.357 -0.395 5.780 458 HG2 ARG 62 1HG ARG 62 13.751 -2.398 5.603 459 HG3 ARG 62 2HG ARG 62 14.511 -1.765 4.144 460 HD2 ARG 62 1HD ARG 62 15.466 0.104 5.467 461 HD3 ARG 62 2HD ARG 62 14.708 -0.555 6.928 462 HE ARG 62 HE ARG 62 16.216 -2.596 5.777 463 HH11 ARG 62 1HH1 ARG 62 16.882 0.483 7.347 464 HH12 ARG 62 2HH1 ARG 62 18.442 -0.026 7.908 465 HH21 ARG 62 1HH2 ARG 62 18.246 -3.223 6.527 466 HH22 ARG 62 2HH2 ARG 62 19.206 -2.113 7.455 467 H ASP 63 H ASP 63 13.037 -3.330 2.970 468 HA ASP 63 HA ASP 63 14.232 -2.139 0.657 469 HB2 ASP 63 1HB ASP 63 15.301 -3.979 1.912 470 HB3 ASP 63 2HB ASP 63 13.989 -5.069 1.486 471 H THR 64 H THR 64 11.106 -3.442 1.143 472 HA THR 64 HA THR 64 10.581 -3.751 -1.726 473 HB THR 64 HB THR 64 9.107 -5.759 -1.220 474 HG1 THR 64 HG1 THR 64 9.703 -5.169 1.285 475 HG21 THR 64 3HG2 THR 64 10.923 -7.431 -1.151 476 HG22 THR 64 1HG2 THR 64 12.066 -6.179 -0.655 477 HG23 THR 64 2HG2 THR 64 11.324 -6.113 -2.254 478 H ALA 65 H ALA 65 9.984 -1.984 0.842 479 HA ALA 65 HA ALA 65 7.202 -2.029 1.336 480 HB1 ALA 65 3HB ALA 65 9.155 0.280 1.632 481 HB2 ALA 65 1HB ALA 65 8.823 -0.959 2.845 482 HB3 ALA 65 2HB ALA 65 7.557 0.177 2.377 483 H PHE 66 H PHE 66 9.151 -0.020 -0.821 484 HA PHE 66 HA PHE 66 7.058 1.438 -2.062 485 HB2 PHE 66 1HB PHE 66 9.760 0.772 -3.310 486 HB3 PHE 66 2HB PHE 66 8.735 2.158 -3.669 487 HD1 PHE 66 HD2 PHE 66 8.507 4.002 -1.974 488 HD2 PHE 66 HD1 PHE 66 11.295 0.802 -1.461 489 HE1 PHE 66 HE2 PHE 66 9.724 5.313 -0.292 490 HE2 PHE 66 HE1 PHE 66 12.498 2.122 0.224 491 HZ PHE 66 HZ PHE 66 11.713 4.374 0.806 492 H ASN 67 H ASN 67 8.090 -1.809 -2.462 493 HA ASN 67 HA ASN 67 7.454 -2.131 -5.292 494 HB2 ASN 67 1HB ASN 67 9.353 -3.330 -3.956 495 HB3 ASN 67 2HB ASN 67 8.089 -4.330 -3.271 496 HD21 ASN 67 2HD2 ASN 67 10.304 -5.230 -4.743 497 HD22 ASN 67 1HD2 ASN 67 9.726 -5.997 -6.173 498 H PHE 68 H PHE 68 5.808 -2.086 -2.353 499 HA PHE 68 HA PHE 68 3.945 -4.074 -2.384 500 HB2 PHE 68 1HB PHE 68 2.768 -2.926 -0.761 501 HB3 PHE 68 2HB PHE 68 4.316 -2.113 -0.662 502 HD1 PHE 68 HD1 PHE 68 4.548 0.175 -1.916 503 HD2 PHE 68 HD2 PHE 68 0.773 -1.684 -1.114 504 HE1 PHE 68 HE1 PHE 68 3.409 2.336 -2.201 505 HE2 PHE 68 HE2 PHE 68 -0.348 0.483 -1.405 506 HZ PHE 68 HZ PHE 68 0.963 2.492 -1.946 507 H ALA 69 H ALA 69 3.798 -1.091 -4.368 508 HA ALA 69 HA ALA 69 1.272 -1.119 -5.323 509 HB1 ALA 69 3HB ALA 69 2.996 0.523 -5.956 510 HB2 ALA 69 1HB ALA 69 2.149 -0.092 -7.377 511 HB3 ALA 69 2HB ALA 69 3.771 -0.675 -6.993 512 H SER 70 H SER 70 3.810 -3.425 -6.243 513 HA SER 70 HA SER 70 2.403 -4.724 -8.356 514 HB2 SER 70 1HB SER 70 4.590 -5.874 -6.571 515 HB3 SER 70 2HB SER 70 4.167 -6.402 -8.203 516 HG SER 70 HG SER 70 5.947 -4.619 -7.505 517 H ASP 71 H ASP 71 2.899 -5.454 -4.889 518 HA ASP 71 HA ASP 71 1.391 -7.843 -4.748 519 HB2 ASP 71 1HB ASP 71 2.170 -5.838 -2.588 520 HB3 ASP 71 2HB ASP 71 1.344 -7.355 -2.230 521 H ALA 72 H ALA 72 0.510 -4.648 -3.512 522 HA ALA 72 HA ALA 72 -2.068 -4.783 -2.831 523 HB1 ALA 72 3HB ALA 72 -0.722 -2.730 -2.667 524 HB2 ALA 72 1HB ALA 72 -2.292 -2.392 -3.405 525 HB3 ALA 72 2HB ALA 72 -0.844 -2.493 -4.411 526 H THR 73 H THR 73 -1.012 -4.311 -6.236 527 HA THR 73 HA THR 73 -3.634 -4.330 -7.367 528 HB THR 73 HB THR 73 -0.948 -4.945 -8.685 529 HG1 THR 73 HG1 THR 73 -0.751 -2.871 -8.298 530 HG21 THR 73 3HG2 THR 73 -3.604 -4.214 -10.000 531 HG22 THR 73 1HG2 THR 73 -2.836 -5.805 -10.067 532 HG23 THR 73 2HG2 THR 73 -2.060 -4.416 -10.830 533 H ARG 74 H ARG 74 -1.211 -6.848 -6.772 534 HA ARG 74 HA ARG 74 -2.519 -8.956 -8.165 535 HB2 ARG 74 1HB ARG 74 -0.119 -9.003 -7.788 536 HB3 ARG 74 2HB ARG 74 -0.344 -9.027 -6.043 537 HG2 ARG 74 1HG ARG 74 -1.190 -11.278 -6.100 538 HG3 ARG 74 2HG ARG 74 -1.319 -11.259 -7.861 539 HD2 ARG 74 1HD ARG 74 0.666 -12.537 -6.947 540 HD3 ARG 74 2HD ARG 74 1.067 -11.288 -8.130 541 HE ARG 74 HE ARG 74 1.258 -10.677 -5.248 542 HH11 ARG 74 1HH1 ARG 74 2.922 -11.209 -8.284 543 HH12 ARG 74 2HH1 ARG 74 4.407 -10.508 -7.736 544 HH21 ARG 74 1HH2 ARG 74 3.206 -9.730 -4.540 545 HH22 ARG 74 2HH2 ARG 74 4.567 -9.669 -5.611 546 H VAL 75 H VAL 75 -2.532 -8.035 -4.744 547 HA VAL 75 HA VAL 75 -4.176 -10.002 -3.672 548 HB VAL 75 HB VAL 75 -3.875 -7.071 -2.850 549 HG11 VAL 75 1HG1 VAL 75 -4.809 -7.725 -0.634 550 HG12 VAL 75 2HG1 VAL 75 -5.166 -9.333 -1.271 551 HG13 VAL 75 3HG1 VAL 75 -5.987 -7.920 -1.935 552 HG21 VAL 75 3HG2 VAL 75 -2.568 -9.571 -1.701 553 HG22 VAL 75 1HG2 VAL 75 -2.363 -7.925 -1.088 554 HG23 VAL 75 2HG2 VAL 75 -1.773 -8.349 -2.694 555 H ALA 76 H ALA 76 -4.943 -6.808 -5.091 556 HA ALA 76 HA ALA 76 -7.705 -6.806 -4.643 557 HB1 ALA 76 3HB ALA 76 -7.721 -4.963 -6.271 558 HB2 ALA 76 1HB ALA 76 -6.090 -5.392 -6.792 559 HB3 ALA 76 2HB ALA 76 -6.367 -4.801 -5.152 560 H GLN 77 H GLN 77 -5.769 -7.944 -7.421 561 HA GLN 77 HA GLN 77 -8.018 -8.405 -9.118 562 HB2 GLN 77 1HB GLN 77 -6.470 -9.345 -10.734 563 HB3 GLN 77 2HB GLN 77 -5.783 -7.877 -10.049 564 HG2 GLN 77 1HG GLN 77 -4.387 -9.305 -8.548 565 HG3 GLN 77 2HG GLN 77 -5.007 -10.724 -9.376 566 HE21 GLN 77 2HE2 GLN 77 -4.141 -7.684 -10.976 567 HE22 GLN 77 1HE2 GLN 77 -2.780 -8.314 -11.828 568 H LYS 78 H LYS 78 -6.102 -10.494 -6.970 569 HA LYS 78 HA LYS 78 -7.415 -12.943 -7.547 570 HB2 LYS 78 1HB LYS 78 -6.106 -11.982 -4.971 571 HB3 LYS 78 2HB LYS 78 -6.684 -13.627 -5.220 572 HG2 LYS 78 1HG LYS 78 -5.057 -13.890 -7.091 573 HG3 LYS 78 2HG LYS 78 -4.442 -12.268 -6.756 574 HD2 LYS 78 1HD LYS 78 -4.387 -14.645 -4.851 575 HD3 LYS 78 2HD LYS 78 -3.001 -13.980 -5.713 576 HE2 LYS 78 1HE LYS 78 -3.070 -11.946 -4.414 577 HE3 LYS 78 2HE LYS 78 -4.625 -12.375 -3.700 578 HZ1 LYS 78 3HZ LYS 78 -2.800 -12.747 -2.173 579 HZ2 LYS 78 1HZ LYS 78 -2.071 -13.816 -3.258 580 HZ3 LYS 78 2HZ LYS 78 -3.558 -14.205 -2.559 581 H HIS 79 H HIS 79 -8.302 -10.176 -5.582 582 HA HIS 79 HA HIS 79 -10.552 -11.553 -4.314 583 HB2 HIS 79 1HB HIS 79 -9.248 -8.846 -3.905 584 HB3 HIS 79 2HB HIS 79 -10.857 -9.150 -3.263 585 HD1 HIS 79 HD1 HIS 79 -11.054 -10.584 -1.178 586 HD2 HIS 79 HD2 HIS 79 -7.167 -10.413 -2.631 587 HE1 HIS 79 HE1 HIS 79 -9.614 -11.586 0.615 588 HE2 HIS 79 HE2 HIS 79 -7.273 -11.480 -0.287 589 H GLY 80 H GLY 80 -10.210 -10.286 -7.352 590 HA2 GLY 80 1HA GLY 80 -12.563 -10.683 -8.337 591 HA3 GLY 80 2HA GLY 80 -12.993 -9.252 -7.425 592 H LEU 81 H LEU 81 -10.259 -8.051 -8.131 593 HA LEU 81 HA LEU 81 -11.216 -6.580 -10.396 594 HB2 LEU 81 1HB LEU 81 -8.593 -6.511 -8.884 595 HB3 LEU 81 2HB LEU 81 -8.807 -5.576 -10.352 596 HG LEU 81 HG LEU 81 -10.737 -4.404 -9.237 597 HD11 LEU 81 1HD1 LEU 81 -11.283 -6.025 -7.491 598 HD12 LEU 81 2HD1 LEU 81 -10.930 -4.444 -6.798 599 HD13 LEU 81 3HD1 LEU 81 -9.726 -5.735 -6.712 600 HD21 LEU 81 3HD2 LEU 81 -9.295 -2.904 -7.907 601 HD22 LEU 81 1HD2 LEU 81 -8.554 -3.337 -9.446 602 HD23 LEU 81 2HD2 LEU 81 -8.004 -4.103 -7.955 603 H HIS 82 H HIS 82 -10.298 -6.368 -12.444 604 HA HIS 82 HA HIS 82 -7.921 -7.914 -13.186 605 HB2 HIS 82 1HB HIS 82 -10.536 -7.947 -14.763 606 HB3 HIS 82 2HB HIS 82 -8.989 -8.249 -15.540 607 HD1 HIS 82 HD1 HIS 82 -8.026 -10.566 -15.344 608 HD2 HIS 82 HD2 HIS 82 -11.346 -10.031 -12.905 609 HE1 HIS 82 HE1 HIS 82 -8.625 -12.853 -14.508 610 HE2 HIS 82 HE2 HIS 82 -10.510 -12.469 -12.889 611 HA PRO 83 HA PRO 83 -7.834 -3.416 -14.405 612 HB2 PRO 83 1HB PRO 83 -5.992 -2.479 -12.704 613 HB3 PRO 83 2HB PRO 83 -7.602 -2.909 -12.107 614 HG2 PRO 83 1HG PRO 83 -5.018 -4.422 -11.861 615 HG3 PRO 83 2HG PRO 83 -6.337 -4.257 -10.685 616 HD2 PRO 83 1HD PRO 83 -5.941 -6.432 -12.485 617 HD3 PRO 83 2HD PRO 83 -7.389 -6.128 -11.502 618 H LYS 84 H LYS 84 -6.514 -5.757 -15.597 619 HA LYS 84 HA LYS 84 -3.700 -5.498 -15.788 620 HB2 LYS 84 1HB LYS 84 -5.688 -7.080 -17.468 621 HB3 LYS 84 2HB LYS 84 -3.940 -7.274 -17.562 622 HG2 LYS 84 1HG LYS 84 -5.634 -7.791 -15.088 623 HG3 LYS 84 2HG LYS 84 -5.014 -9.034 -16.180 624 HD2 LYS 84 1HD LYS 84 -3.315 -7.130 -14.502 625 HD3 LYS 84 2HD LYS 84 -3.633 -8.825 -14.122 626 HE2 LYS 84 1HE LYS 84 -2.398 -9.550 -16.094 627 HE3 LYS 84 2HE LYS 84 -2.210 -7.885 -16.643 628 HZ1 LYS 84 3HZ LYS 84 -1.033 -9.038 -14.177 629 HZ2 LYS 84 1HZ LYS 84 -0.872 -7.433 -14.678 630 HZ3 LYS 84 2HZ LYS 84 -0.204 -8.681 -15.601 631 H PHE 85 H PHE 85 -6.356 -4.486 -17.879 632 HA PHE 85 HA PHE 85 -4.624 -3.537 -20.012 633 HB2 PHE 85 1HB PHE 85 -7.599 -2.991 -19.646 634 HB3 PHE 85 2HB PHE 85 -6.674 -2.898 -21.141 635 HD1 PHE 85 HD1 PHE 85 -5.785 -5.068 -22.172 636 HD2 PHE 85 HD2 PHE 85 -8.596 -5.058 -18.942 637 HE1 PHE 85 HE1 PHE 85 -6.378 -7.406 -22.664 638 HE2 PHE 85 HE2 PHE 85 -9.180 -7.394 -19.449 639 HZ PHE 85 HZ PHE 85 -8.073 -8.570 -21.308 640 H GLY 86 H GLY 86 -6.678 -2.168 -17.451 641 HA2 GLY 86 1HA GLY 86 -5.434 -0.388 -16.161 642 HA3 GLY 86 2HA GLY 86 -5.310 0.450 -17.701 643 H ALA 87 H ALA 87 -7.550 0.538 -18.857 644 HA ALA 87 HA ALA 87 -9.635 1.347 -19.079 645 HB1 ALA 87 3HB ALA 87 -10.409 -0.308 -17.428 646 HB2 ALA 87 1HB ALA 87 -11.329 1.196 -17.326 647 HB3 ALA 87 2HB ALA 87 -10.085 0.835 -16.126 648 H ILE 88 H ILE 88 -8.012 2.606 -16.186 649 HA ILE 88 HA ILE 88 -9.172 5.198 -16.145 650 HB ILE 88 HB ILE 88 -6.520 4.200 -14.997 651 HG12 ILE 88 1HG1 ILE 88 -9.266 4.497 -13.683 652 HG13 ILE 88 2HG1 ILE 88 -8.484 2.975 -14.091 653 HG21 ILE 88 1HG2 ILE 88 -8.022 6.761 -14.313 654 HG22 ILE 88 2HG2 ILE 88 -6.490 6.659 -15.179 655 HG23 ILE 88 3HG2 ILE 88 -6.578 6.168 -13.488 656 HD11 ILE 88 3HD1 ILE 88 -8.340 3.412 -11.725 657 HD12 ILE 88 1HD1 ILE 88 -7.563 4.966 -12.018 658 HD13 ILE 88 2HD1 ILE 88 -6.726 3.467 -12.434 659 H THR 89 H THR 89 -8.949 6.637 -17.791 660 HA THR 89 HA THR 89 -6.937 6.523 -19.797 661 HB THR 89 HB THR 89 -8.890 8.776 -19.164 662 HG1 THR 89 HG1 THR 89 -10.325 7.545 -20.089 663 HG21 THR 89 3HG2 THR 89 -8.613 9.438 -21.539 664 HG22 THR 89 1HG2 THR 89 -7.371 8.206 -21.742 665 HG23 THR 89 2HG2 THR 89 -7.084 9.576 -20.664 666 H ARG 90 H ARG 90 -7.468 8.795 -17.084 667 HA ARG 90 HA ARG 90 -4.891 10.086 -17.411 668 HB2 ARG 90 1HB ARG 90 -7.064 10.279 -15.293 669 HB3 ARG 90 2HB ARG 90 -5.529 11.122 -15.126 670 HG2 ARG 90 1HG ARG 90 -7.478 11.514 -17.424 671 HG3 ARG 90 2HG ARG 90 -7.335 12.574 -16.016 672 HD2 ARG 90 1HD ARG 90 -5.148 12.027 -18.069 673 HD3 ARG 90 2HD ARG 90 -6.123 13.501 -17.952 674 HE ARG 90 HE ARG 90 -4.745 12.895 -15.509 675 HH11 ARG 90 1HH1 ARG 90 -4.249 14.412 -18.645 676 HH12 ARG 90 2HH1 ARG 90 -2.962 15.416 -18.064 677 HH21 ARG 90 1HH2 ARG 90 -3.086 14.211 -14.795 678 HH22 ARG 90 2HH2 ARG 90 -2.314 15.311 -15.891 679 H VAL 91 H VAL 91 -3.676 8.132 -17.439 680 HA VAL 91 HA VAL 91 -3.552 6.242 -15.343 681 HB VAL 91 HB VAL 91 -1.377 6.920 -17.385 682 HG11 VAL 91 1HG1 VAL 91 -0.591 4.597 -17.036 683 HG12 VAL 91 2HG1 VAL 91 -1.816 4.362 -15.788 684 HG13 VAL 91 3HG1 VAL 91 -0.517 5.532 -15.540 685 HG21 VAL 91 3HG2 VAL 91 -3.500 6.417 -18.522 686 HG22 VAL 91 1HG2 VAL 91 -3.650 4.905 -17.621 687 HG23 VAL 91 2HG2 VAL 91 -2.336 5.115 -18.782 688 H HIS 92 H HIS 92 -2.841 6.605 -13.354 689 HA HIS 92 HA HIS 92 -1.325 8.968 -12.677 690 HB2 HIS 92 1HB HIS 92 -2.409 6.692 -10.965 691 HB3 HIS 92 2HB HIS 92 -1.556 8.093 -10.314 692 HD1 HIS 92 HD1 HIS 92 -2.741 10.447 -10.672 693 HD2 HIS 92 HD2 HIS 92 -5.106 7.142 -11.518 694 HE1 HIS 92 HE1 HIS 92 -5.089 11.312 -10.798 695 HE2 HIS 92 HE2 HIS 92 -6.454 9.336 -11.530 696 H LYS 93 H LYS 93 0.664 8.798 -13.554 697 HA LYS 93 HA LYS 93 2.428 6.528 -12.916 698 HB2 LYS 93 1HB LYS 93 2.795 8.931 -14.756 699 HB3 LYS 93 2HB LYS 93 4.035 7.710 -14.483 700 HG2 LYS 93 1HG LYS 93 1.318 7.268 -15.778 701 HG3 LYS 93 2HG LYS 93 2.882 7.305 -16.600 702 HD2 LYS 93 1HD LYS 93 1.973 5.230 -14.557 703 HD3 LYS 93 2HD LYS 93 2.087 4.990 -16.300 704 HE2 LYS 93 1HE LYS 93 4.431 5.565 -14.449 705 HE3 LYS 93 2HE LYS 93 4.002 3.983 -15.094 706 HZ1 LYS 93 3HZ LYS 93 4.736 6.323 -16.759 707 HZ2 LYS 93 1HZ LYS 93 4.471 4.743 -17.294 708 HZ3 LYS 93 2HZ LYS 93 5.800 5.091 -16.312 709 H GLU 94 H GLU 94 1.450 8.666 -10.997 710 HA GLU 94 HA GLU 94 3.846 10.061 -10.150 711 HB2 GLU 94 1HB GLU 94 1.072 9.913 -8.895 712 HB3 GLU 94 2HB GLU 94 2.377 10.938 -8.326 713 HG2 GLU 94 1HG GLU 94 0.949 12.368 -9.543 714 HG3 GLU 94 2HG GLU 94 2.329 12.082 -10.598 715 H TYR 95 H TYR 95 3.863 7.141 -10.187 716 HA TYR 95 HA TYR 95 3.933 6.022 -7.612 717 HB2 TYR 95 1HB TYR 95 3.884 4.614 -9.598 718 HB3 TYR 95 2HB TYR 95 5.392 5.303 -10.184 719 HD1 TYR 95 HD2 TYR 95 4.034 3.362 -7.238 720 HD2 TYR 95 HD1 TYR 95 7.398 4.118 -9.776 721 HE1 TYR 95 HE2 TYR 95 5.293 1.558 -6.129 722 HE2 TYR 95 HE1 TYR 95 8.644 2.325 -8.656 723 HH TYR 95 HH TYR 95 7.157 0.061 -6.595 724 H ASP 96 H ASP 96 6.263 7.895 -9.488 725 HA ASP 96 HA ASP 96 8.474 7.679 -7.712 726 HB2 ASP 96 1HB ASP 96 8.680 8.388 -10.085 727 HB3 ASP 96 2HB ASP 96 7.798 9.866 -9.725 728 H ALA 97 H ALA 97 5.638 9.779 -7.785 729 HA ALA 97 HA ALA 97 6.536 11.742 -5.911 730 HB1 ALA 97 3HB ALA 97 4.701 12.176 -7.494 731 HB2 ALA 97 1HB ALA 97 4.187 12.454 -5.828 732 HB3 ALA 97 2HB ALA 97 3.697 10.982 -6.674 733 H MET 98 H MET 98 4.239 8.978 -5.539 734 HA MET 98 HA MET 98 4.208 9.006 -2.729 735 HB2 MET 98 1HB MET 98 3.242 6.770 -2.837 736 HB3 MET 98 2HB MET 98 2.530 7.801 -4.064 737 HG2 MET 98 1HG MET 98 4.103 6.717 -5.722 738 HG3 MET 98 2HG MET 98 4.507 5.557 -4.458 739 HE1 MET 98 3HE MET 98 0.887 3.964 -3.844 740 HE2 MET 98 1HE MET 98 1.479 5.425 -3.052 741 HE3 MET 98 2HE MET 98 2.547 4.033 -3.249 742 H PHE 99 H PHE 99 6.450 7.515 -4.941 743 HA PHE 99 HA PHE 99 7.957 5.874 -3.254 744 HB2 PHE 99 1HB PHE 99 8.262 6.109 -5.769 745 HB3 PHE 99 2HB PHE 99 9.196 7.565 -5.466 746 HD1 PHE 99 HD1 PHE 99 11.468 7.397 -4.426 747 HD2 PHE 99 HD2 PHE 99 9.187 3.896 -5.343 748 HE1 PHE 99 HE1 PHE 99 13.490 6.009 -4.194 749 HE2 PHE 99 HE2 PHE 99 11.213 2.521 -5.110 750 HZ PHE 99 HZ PHE 99 13.362 3.572 -4.537 751 H GLU 100 H GLU 100 8.357 9.396 -3.808 752 HA GLU 100 HA GLU 100 10.569 9.634 -1.964 753 HB2 GLU 100 1HB GLU 100 10.452 12.052 -2.353 754 HB3 GLU 100 2HB GLU 100 10.507 11.139 -3.856 755 HG2 GLU 100 1HG GLU 100 8.091 11.451 -4.155 756 HG3 GLU 100 2HG GLU 100 8.003 12.339 -2.634 757 H ASP 101 H ASP 101 7.101 9.991 -1.736 758 HA ASP 101 HA ASP 101 6.989 11.333 0.776 759 HB2 ASP 101 1HB ASP 101 5.018 11.203 -0.721 760 HB3 ASP 101 2HB ASP 101 4.959 9.456 -0.526 761 H ILE 102 H ILE 102 6.434 7.916 -0.009 762 HA ILE 102 HA ILE 102 6.417 6.812 2.514 763 HB ILE 102 HB ILE 102 7.266 5.484 -0.095 764 HG12 ILE 102 1HG1 ILE 102 4.529 5.542 1.279 765 HG13 ILE 102 2HG1 ILE 102 4.971 6.508 -0.122 766 HG21 ILE 102 1HG2 ILE 102 6.374 4.149 2.494 767 HG22 ILE 102 2HG2 ILE 102 7.996 4.095 1.802 768 HG23 ILE 102 3HG2 ILE 102 6.656 3.319 0.960 769 HD11 ILE 102 3HD1 ILE 102 5.236 4.466 -1.449 770 HD12 ILE 102 1HD1 ILE 102 3.621 4.599 -0.755 771 HD13 ILE 102 2HD1 ILE 102 4.794 3.496 -0.042 772 H ARG 103 H ARG 103 9.247 7.389 0.438 773 HA ARG 103 HA ARG 103 11.115 6.050 2.151 774 HB2 ARG 103 1HB ARG 103 13.002 7.094 1.037 775 HB3 ARG 103 2HB ARG 103 11.844 6.445 -0.102 776 HG2 ARG 103 1HG ARG 103 12.654 8.441 -1.030 777 HG3 ARG 103 2HG ARG 103 11.022 8.780 -0.479 778 HD2 ARG 103 1HD ARG 103 12.538 10.623 -0.016 779 HD3 ARG 103 2HD ARG 103 11.889 9.965 1.470 780 HE ARG 103 HE ARG 103 14.339 8.725 1.042 781 HH11 ARG 103 1HH1 ARG 103 13.242 12.027 1.561 782 HH12 ARG 103 2HH1 ARG 103 14.679 12.494 2.409 783 HH21 ARG 103 1HH2 ARG 103 16.230 9.373 2.155 784 HH22 ARG 103 2HH2 ARG 103 16.371 11.008 2.717 785 H ALA 104 H ALA 104 9.685 9.163 2.401 786 HA ALA 104 HA ALA 104 11.567 10.243 4.318 787 HB1 ALA 104 3HB ALA 104 10.308 11.761 2.846 788 HB2 ALA 104 1HB ALA 104 9.950 12.091 4.542 789 HB3 ALA 104 2HB ALA 104 8.787 11.206 3.549 790 H LYS 105 H LYS 105 8.237 8.855 4.432 791 HA LYS 105 HA LYS 105 7.843 8.635 7.121 792 HB2 LYS 105 1HB LYS 105 7.124 6.536 5.038 793 HB3 LYS 105 2HB LYS 105 6.328 6.775 6.588 794 HG2 LYS 105 1HG LYS 105 6.289 8.716 4.247 795 HG3 LYS 105 2HG LYS 105 4.982 7.628 4.714 796 HD2 LYS 105 1HD LYS 105 6.064 9.919 6.400 797 HD3 LYS 105 2HD LYS 105 4.575 9.950 5.459 798 HE2 LYS 105 1HE LYS 105 3.656 8.130 6.866 799 HE3 LYS 105 2HE LYS 105 5.143 8.126 7.820 800 HZ1 LYS 105 3HZ LYS 105 4.673 10.432 8.426 801 HZ2 LYS 105 1HZ LYS 105 3.435 9.388 8.917 802 HZ3 LYS 105 2HZ LYS 105 3.223 10.374 7.562 803 H LEU 106 H LEU 106 9.535 6.277 5.055 804 HA LEU 106 HA LEU 106 10.315 4.444 7.041 805 HB2 LEU 106 1HB LEU 106 11.233 5.019 4.237 806 HB3 LEU 106 2HB LEU 106 12.291 4.034 5.231 807 HG LEU 106 HG LEU 106 10.519 2.353 5.528 808 HD11 LEU 106 1HD1 LEU 106 8.407 2.479 4.277 809 HD12 LEU 106 2HD1 LEU 106 8.804 4.117 3.767 810 HD13 LEU 106 3HD1 LEU 106 8.536 3.765 5.474 811 HD21 LEU 106 3HD2 LEU 106 10.950 3.086 2.611 812 HD22 LEU 106 1HD2 LEU 106 10.435 1.510 3.215 813 HD23 LEU 106 2HD2 LEU 106 12.036 2.122 3.614 814 H HIS 107 H HIS 107 11.663 7.512 6.139 815 HA HIS 107 HA HIS 107 14.093 7.196 7.713 816 HB2 HIS 107 1HB HIS 107 14.010 8.564 5.589 817 HB3 HIS 107 2HB HIS 107 12.977 9.724 6.420 818 HD1 HIS 107 HD1 HIS 107 16.482 8.286 6.602 819 HD2 HIS 107 HD2 HIS 107 14.364 11.631 7.859 820 HE1 HIS 107 HE1 HIS 107 18.192 9.829 7.599 821 HE2 HIS 107 HE2 HIS 107 16.892 11.854 8.338 822 H ALA 108 H ALA 108 10.818 8.198 8.226 823 HA ALA 108 HA ALA 108 9.623 8.549 10.092 824 HB1 ALA 108 3HB ALA 108 12.219 8.421 11.664 825 HB2 ALA 108 1HB ALA 108 11.176 7.045 11.302 826 HB3 ALA 108 2HB ALA 108 10.587 8.347 12.337 827 H HIS 109 H HIS 109 11.228 10.603 8.496 828 HA HIS 109 HA HIS 109 10.515 12.976 10.039 829 HB2 HIS 109 1HB HIS 109 13.352 12.469 9.038 830 HB3 HIS 109 2HB HIS 109 12.769 14.044 9.553 831 HD1 HIS 109 HD1 HIS 109 13.883 10.719 10.879 832 HD2 HIS 109 HD2 HIS 109 12.535 14.377 12.337 833 HE1 HIS 109 HE1 HIS 109 14.345 10.679 13.349 834 HE2 HIS 109 HE2 HIS 109 13.449 12.865 14.219 835 HA PRO 110 HA PRO 110 9.258 14.036 5.842 836 HB2 PRO 110 1HB PRO 110 8.723 16.711 6.173 837 HB3 PRO 110 2HB PRO 110 7.664 15.437 6.790 838 HG2 PRO 110 1HG PRO 110 9.745 17.051 8.261 839 HG3 PRO 110 2HG PRO 110 8.098 16.614 8.769 840 HD2 PRO 110 1HD PRO 110 10.302 15.262 9.645 841 HD3 PRO 110 2HD PRO 110 8.732 14.464 9.419 842 H GLY 111 H GLY 111 10.949 13.868 4.457 843 HA2 GLY 111 1HA GLY 111 12.881 16.120 4.204 844 HA3 GLY 111 2HA GLY 111 13.403 14.437 4.162 845 H GLU 112 H GLU 112 10.589 16.031 2.735 846 HA GLU 112 HA GLU 112 10.841 14.705 0.206 847 HB2 GLU 112 1HB GLU 112 9.070 17.018 1.105 848 HB3 GLU 112 2HB GLU 112 8.859 16.116 -0.397 849 HG2 GLU 112 1HG GLU 112 8.277 14.103 0.795 850 HG3 GLU 112 2HG GLU 112 8.757 14.803 2.340 851 HA PRO 113 HA PRO 113 13.672 17.502 -1.766 852 HB2 PRO 113 1HB PRO 113 12.448 16.933 -4.418 853 HB3 PRO 113 2HB PRO 113 14.042 16.484 -3.802 854 HG2 PRO 113 1HG PRO 113 12.105 14.636 -4.165 855 HG3 PRO 113 2HG PRO 113 13.268 14.515 -2.826 856 HD2 PRO 113 1HD PRO 113 10.428 15.564 -2.773 857 HD3 PRO 113 2HD PRO 113 11.228 14.426 -1.662 858 H VAL 114 H VAL 114 13.857 19.584 -2.615 859 HA VAL 114 HA VAL 114 11.493 21.235 -2.440 860 HB VAL 114 HB VAL 114 13.728 21.926 -1.506 861 HG11 VAL 114 1HG1 VAL 114 15.217 21.178 -3.311 862 HG12 VAL 114 2HG1 VAL 114 15.457 22.893 -2.972 863 HG13 VAL 114 3HG1 VAL 114 14.542 22.396 -4.398 864 HG21 VAL 114 3HG2 VAL 114 11.952 23.587 -1.829 865 HG22 VAL 114 1HG2 VAL 114 12.493 23.882 -3.484 866 HG23 VAL 114 2HG2 VAL 114 13.530 24.317 -2.122 867 H ASP 115 H ASP 115 10.722 22.623 -4.080 868 HA ASP 115 HA ASP 115 11.380 22.008 -6.875 869 HB2 ASP 115 1HB ASP 115 9.038 21.529 -7.434 870 HB3 ASP 115 2HB ASP 115 9.590 20.404 -6.202 871 H LEU 116 H LEU 116 11.881 24.320 -5.216 872 HA LEU 116 HA LEU 116 9.973 26.380 -5.579 873 HB2 LEU 116 1HB LEU 116 11.799 27.955 -4.964 874 HB3 LEU 116 2HB LEU 116 11.608 26.622 -3.852 875 HG LEU 116 HG LEU 116 13.665 25.574 -5.181 876 HD11 LEU 116 1HD1 LEU 116 15.299 27.205 -6.001 877 HD12 LEU 116 2HD1 LEU 116 14.132 28.512 -5.773 878 HD13 LEU 116 3HD1 LEU 116 13.822 27.245 -6.958 879 HD21 LEU 116 3HD2 LEU 116 14.076 27.852 -3.213 880 HD22 LEU 116 1HD2 LEU 116 15.237 26.572 -3.587 881 HD23 LEU 116 2HD2 LEU 116 13.714 26.176 -2.796 882 H GLU 117 H GLU 117 12.750 25.385 -7.498 883 HA GLU 117 HA GLU 117 12.572 27.458 -9.464 884 HB2 GLU 117 1HB GLU 117 14.426 26.361 -10.526 885 HB3 GLU 117 2HB GLU 117 14.702 26.278 -8.796 886 HG2 GLU 117 1HG GLU 117 13.806 24.016 -10.623 887 HG3 GLU 117 2HG GLU 117 15.372 24.188 -9.840 888 H ARG 118 H ARG 118 10.990 24.440 -9.015 889 HA ARG 118 HA ARG 118 10.804 23.249 -11.490 890 HB2 ARG 118 1HB ARG 118 9.932 22.545 -9.105 891 HB3 ARG 118 2HB ARG 118 8.427 23.289 -9.603 892 HG2 ARG 118 1HG ARG 118 8.314 20.895 -9.941 893 HG3 ARG 118 2HG ARG 118 8.290 21.701 -11.514 894 HD2 ARG 118 1HD ARG 118 9.798 19.606 -11.261 895 HD3 ARG 118 2HD ARG 118 10.507 21.032 -12.020 896 HE ARG 118 HE ARG 118 11.683 21.501 -9.974 897 HH11 ARG 118 1HH1 ARG 118 10.277 18.286 -10.046 898 HH12 ARG 118 2HH1 ARG 118 11.322 17.693 -8.801 899 HH21 ARG 118 1HH2 ARG 118 13.016 20.718 -8.357 900 HH22 ARG 118 2HH2 ARG 118 12.868 19.066 -7.833 901 H ILE 119 H ILE 119 8.583 25.618 -10.112 902 HA ILE 119 HA ILE 119 6.878 25.812 -12.428 903 HB ILE 119 HB ILE 119 6.999 27.591 -9.946 904 HG12 ILE 119 1HG1 ILE 119 6.625 25.247 -9.266 905 HG13 ILE 119 2HG1 ILE 119 5.147 26.172 -9.034 906 HG21 ILE 119 1HG2 ILE 119 4.646 28.179 -10.477 907 HG22 ILE 119 2HG2 ILE 119 4.746 27.228 -11.960 908 HG23 ILE 119 3HG2 ILE 119 5.752 28.663 -11.763 909 HD11 ILE 119 3HD1 ILE 119 4.667 23.972 -9.919 910 HD12 ILE 119 1HD1 ILE 119 5.712 24.260 -11.309 911 HD13 ILE 119 2HD1 ILE 119 4.232 25.201 -11.103 912 H ILE 120 H ILE 120 9.691 27.469 -11.200 913 HA ILE 120 HA ILE 120 9.398 29.939 -12.646 914 HB ILE 120 HB ILE 120 11.909 28.785 -11.337 915 HG12 ILE 120 1HG1 ILE 120 9.784 30.618 -10.115 916 HG13 ILE 120 2HG1 ILE 120 10.029 28.926 -9.702 917 HG21 ILE 120 1HG2 ILE 120 12.692 31.130 -11.193 918 HG22 ILE 120 2HG2 ILE 120 11.235 31.677 -12.025 919 HG23 ILE 120 3HG2 ILE 120 12.405 30.663 -12.870 920 HD11 ILE 120 3HD1 ILE 120 12.245 29.476 -8.799 921 HD12 ILE 120 1HD1 ILE 120 10.956 30.380 -8.007 922 HD13 ILE 120 2HD1 ILE 120 11.977 31.174 -9.202 923 H ARG 121 H ARG 121 10.713 26.789 -13.435 924 HA ARG 121 HA ARG 121 12.687 27.497 -15.347 925 HB2 ARG 121 1HB ARG 121 11.084 24.912 -15.214 926 HB3 ARG 121 2HB ARG 121 12.567 25.144 -16.131 927 HG2 ARG 121 1HG ARG 121 12.285 25.183 -13.115 928 HG3 ARG 121 2HG ARG 121 13.003 23.900 -14.085 929 HD2 ARG 121 1HD ARG 121 14.084 26.735 -13.934 930 HD3 ARG 121 2HD ARG 121 14.665 25.395 -12.944 931 HE ARG 121 HE ARG 121 14.953 24.409 -15.431 932 HH11 ARG 121 1HH1 ARG 121 15.918 27.535 -14.138 933 HH12 ARG 121 2HH1 ARG 121 17.373 27.597 -15.082 934 HH21 ARG 121 1HH2 ARG 121 16.858 24.511 -16.647 935 HH22 ARG 121 2HH2 ARG 121 17.900 25.893 -16.505 936 H HIS 122 H HIS 122 11.752 29.126 -16.606 937 HA HIS 122 HA HIS 122 10.342 28.328 -18.991 938 HB2 HIS 122 1HB HIS 122 9.014 30.203 -16.977 939 HB3 HIS 122 2HB HIS 122 8.590 30.222 -18.686 940 HD1 HIS 122 HD1 HIS 122 7.802 28.543 -15.543 941 HD2 HIS 122 HD2 HIS 122 7.433 27.680 -19.595 942 HE1 HIS 122 HE1 HIS 122 6.183 26.629 -15.686 943 HE2 HIS 122 HE2 HIS 122 6.130 26.008 -18.124 944 H GLU 123 H GLU 123 10.870 29.647 -20.670 945 HA GLU 123 HA GLU 123 11.601 32.408 -20.324 946 HB2 GLU 123 1HB GLU 123 13.814 32.222 -21.519 947 HB3 GLU 123 2HB GLU 123 13.814 31.547 -19.900 948 HG2 GLU 123 1HG GLU 123 13.594 29.861 -22.419 949 HG3 GLU 123 2HG GLU 123 15.122 30.256 -21.643 950 H GLY 124 H GLY 124 9.649 32.566 -21.505 951 HA2 GLY 124 1HA GLY 124 9.581 31.620 -24.288 952 HA3 GLY 124 2HA GLY 124 8.265 32.380 -23.402 953 H SER 125 H SER 125 8.584 34.702 -22.823 954 HA SER 125 HA SER 125 10.391 36.271 -24.502 955 HB2 SER 125 1HB SER 125 7.350 36.546 -24.680 956 HB3 SER 125 2HB SER 125 8.499 37.688 -25.373 957 HG SER 125 HG SER 125 9.332 35.572 -26.404 Start of MODEL 13 1 H1 GLN 1 1H GLN 1 -14.927 12.974 -5.931 2 H2 GLN 1 2H GLN 1 -14.120 13.466 -7.325 3 H3 GLN 1 3H GLN 1 -14.396 14.572 -6.075 4 HA GLN 1 HA GLN 1 -12.115 13.844 -6.135 5 HB2 GLN 1 1HB GLN 1 -13.654 12.809 -3.705 6 HB3 GLN 1 2HB GLN 1 -11.925 13.139 -3.740 7 HG2 GLN 1 1HG GLN 1 -14.132 15.196 -4.081 8 HG3 GLN 1 2HG GLN 1 -13.169 14.945 -2.626 9 HE21 GLN 1 2HE2 GLN 1 -10.962 15.573 -2.650 10 HE22 GLN 1 1HE2 GLN 1 -10.347 16.695 -3.813 11 H GLY 2 H GLY 2 -13.762 11.076 -4.579 12 HA2 GLY 2 1HA GLY 2 -13.808 8.845 -5.014 13 HA3 GLY 2 2HA GLY 2 -13.293 9.196 -6.650 14 H HIS 3 H HIS 3 -10.949 9.612 -6.953 15 HA HIS 3 HA HIS 3 -9.347 7.577 -5.659 16 HB2 HIS 3 1HB HIS 3 -7.615 8.220 -7.351 17 HB3 HIS 3 2HB HIS 3 -9.164 7.831 -8.080 18 HD1 HIS 3 HD1 HIS 3 -6.654 10.542 -7.799 19 HD2 HIS 3 HD2 HIS 3 -10.546 10.114 -9.188 20 HE1 HIS 3 HE1 HIS 3 -7.106 12.581 -9.189 21 HE2 HIS 3 HE2 HIS 3 -9.405 12.214 -10.148 22 H MET 4 H MET 4 -9.756 8.892 -3.574 23 HA MET 4 HA MET 4 -8.187 11.297 -3.164 24 HB2 MET 4 1HB MET 4 -10.387 11.054 -2.062 25 HB3 MET 4 2HB MET 4 -9.822 9.625 -1.212 26 HG2 MET 4 1HG MET 4 -8.082 11.097 -0.096 27 HG3 MET 4 2HG MET 4 -8.909 12.481 -0.810 28 HE1 MET 4 3HE MET 4 -10.858 9.636 2.289 29 HE2 MET 4 1HE MET 4 -9.174 9.500 1.787 30 HE3 MET 4 2HE MET 4 -10.468 9.132 0.647 31 H PHE 5 H PHE 5 -5.997 10.889 -3.165 32 HA PHE 5 HA PHE 5 -4.926 8.849 -1.339 33 HB2 PHE 5 1HB PHE 5 -3.853 9.024 -3.558 34 HB3 PHE 5 2HB PHE 5 -3.473 10.719 -3.264 35 HD1 PHE 5 HD1 PHE 5 -2.853 7.276 -1.926 36 HD2 PHE 5 HD2 PHE 5 -1.437 11.296 -2.187 37 HE1 PHE 5 HE1 PHE 5 -0.777 6.628 -0.783 38 HE2 PHE 5 HE2 PHE 5 0.632 10.627 -1.066 39 HZ PHE 5 HZ PHE 5 0.963 8.304 -0.365 40 H GLU 6 H GLU 6 -3.999 9.330 0.531 41 HA GLU 6 HA GLU 6 -3.222 12.062 1.281 42 HB2 GLU 6 1HB GLU 6 -4.302 11.766 3.511 43 HB3 GLU 6 2HB GLU 6 -5.494 11.710 2.215 44 HG2 GLU 6 1HG GLU 6 -5.499 9.236 2.341 45 HG3 GLU 6 2HG GLU 6 -4.336 9.306 3.659 46 HA PRO 7 HA PRO 7 0.362 9.876 3.012 47 HB2 PRO 7 1HB PRO 7 0.134 11.531 5.511 48 HB3 PRO 7 2HB PRO 7 1.490 11.373 4.388 49 HG2 PRO 7 1HG PRO 7 -0.018 13.605 4.444 50 HG3 PRO 7 2HG PRO 7 0.632 12.974 2.915 51 HD2 PRO 7 1HD PRO 7 -2.160 12.751 4.027 52 HD3 PRO 7 2HD PRO 7 -1.630 13.038 2.352 53 H GLY 8 H GLY 8 -0.168 7.802 3.562 54 HA2 GLY 8 1HA GLY 8 -0.186 6.228 5.380 55 HA3 GLY 8 2HA GLY 8 -1.307 7.258 6.251 56 H HIS 9 H HIS 9 -2.622 7.458 3.305 57 HA HIS 9 HA HIS 9 -3.955 4.877 3.155 58 HB2 HIS 9 1HB HIS 9 -5.232 5.793 4.981 59 HB3 HIS 9 2HB HIS 9 -5.378 7.353 4.193 60 HD1 HIS 9 HD1 HIS 9 -7.456 7.745 2.891 61 HD2 HIS 9 HD2 HIS 9 -6.846 3.704 3.648 62 HE1 HIS 9 HE1 HIS 9 -9.493 6.590 2.020 63 HE2 HIS 9 HE2 HIS 9 -9.216 4.198 2.738 64 H LEU 10 H LEU 10 -5.018 4.523 1.223 65 HA LEU 10 HA LEU 10 -5.453 6.725 -0.685 66 HB2 LEU 10 1HB LEU 10 -3.401 5.656 -1.413 67 HB3 LEU 10 2HB LEU 10 -4.080 4.053 -1.183 68 HG LEU 10 HG LEU 10 -5.580 4.380 -3.131 69 HD11 LEU 10 1HD1 LEU 10 -4.237 7.087 -3.485 70 HD12 LEU 10 2HD1 LEU 10 -5.920 6.817 -3.022 71 HD13 LEU 10 3HD1 LEU 10 -5.359 6.331 -4.620 72 HD21 LEU 10 3HD2 LEU 10 -2.665 4.971 -3.773 73 HD22 LEU 10 1HD2 LEU 10 -3.863 4.319 -4.898 74 HD23 LEU 10 2HD2 LEU 10 -3.365 3.373 -3.496 75 H HIS 11 H HIS 11 -7.522 6.694 -1.408 76 HA HIS 11 HA HIS 11 -9.150 4.237 -1.181 77 HB2 HIS 11 1HB HIS 11 -10.210 6.203 -0.175 78 HB3 HIS 11 2HB HIS 11 -9.981 7.140 -1.649 79 HD1 HIS 11 HD1 HIS 11 -12.411 7.557 -2.216 80 HD2 HIS 11 HD2 HIS 11 -11.603 3.522 -1.660 81 HE1 HIS 11 HE1 HIS 11 -14.475 6.351 -2.953 82 HE2 HIS 11 HE2 HIS 11 -14.057 3.946 -2.366 83 H LEU 12 H LEU 12 -9.462 3.051 -2.969 84 HA LEU 12 HA LEU 12 -9.156 4.264 -5.641 85 HB2 LEU 12 1HB LEU 12 -9.101 1.334 -4.819 86 HB3 LEU 12 2HB LEU 12 -8.956 1.924 -6.466 87 HG LEU 12 HG LEU 12 -6.952 2.377 -4.222 88 HD11 LEU 12 1HD1 LEU 12 -6.890 0.096 -5.116 89 HD12 LEU 12 2HD1 LEU 12 -5.443 0.985 -5.588 90 HD13 LEU 12 3HD1 LEU 12 -6.737 0.724 -6.760 91 HD21 LEU 12 3HD2 LEU 12 -5.536 3.478 -5.937 92 HD22 LEU 12 1HD2 LEU 12 -7.027 4.373 -5.640 93 HD23 LEU 12 2HD2 LEU 12 -6.865 3.381 -7.094 94 H VAL 13 H VAL 13 -10.847 4.450 -6.866 95 HA VAL 13 HA VAL 13 -13.080 2.569 -6.874 96 HB VAL 13 HB VAL 13 -13.841 4.506 -5.418 97 HG11 VAL 13 1HG1 VAL 13 -14.218 6.733 -6.396 98 HG12 VAL 13 2HG1 VAL 13 -13.470 6.208 -7.906 99 HG13 VAL 13 3HG1 VAL 13 -12.506 6.302 -6.430 100 HG21 VAL 13 3HG2 VAL 13 -15.322 4.310 -8.073 101 HG22 VAL 13 1HG2 VAL 13 -15.990 4.957 -6.572 102 HG23 VAL 13 2HG2 VAL 13 -15.545 3.257 -6.677 103 H SER 14 H SER 14 -14.317 2.959 -9.167 104 HA SER 14 HA SER 14 -12.317 3.383 -11.154 105 HB2 SER 14 1HB SER 14 -13.929 1.699 -11.634 106 HB3 SER 14 2HB SER 14 -15.288 2.718 -11.155 107 HG SER 14 HG SER 14 -14.043 2.491 -13.572 108 H LEU 15 H LEU 15 -11.647 5.412 -11.450 109 HA LEU 15 HA LEU 15 -13.220 7.743 -10.784 110 HB2 LEU 15 1HB LEU 15 -11.106 8.977 -11.313 111 HB3 LEU 15 2HB LEU 15 -10.908 7.702 -10.131 112 HG LEU 15 HG LEU 15 -10.058 6.274 -12.202 113 HD11 LEU 15 1HD1 LEU 15 -9.510 9.072 -13.239 114 HD12 LEU 15 2HD1 LEU 15 -10.592 7.884 -13.966 115 HD13 LEU 15 3HD1 LEU 15 -8.860 7.572 -13.908 116 HD21 LEU 15 3HD2 LEU 15 -8.662 6.845 -10.268 117 HD22 LEU 15 1HD2 LEU 15 -8.320 8.434 -10.959 118 HD23 LEU 15 2HD2 LEU 15 -7.740 6.971 -11.764 119 HA PRO 16 HA PRO 16 -14.786 8.935 -14.825 120 HB2 PRO 16 1HB PRO 16 -14.193 11.660 -14.892 121 HB3 PRO 16 2HB PRO 16 -15.561 10.952 -14.024 122 HG2 PRO 16 1HG PRO 16 -12.845 11.718 -12.953 123 HG3 PRO 16 2HG PRO 16 -14.453 12.048 -12.265 124 HD2 PRO 16 1HD PRO 16 -12.957 10.043 -11.319 125 HD3 PRO 16 2HD PRO 16 -14.715 9.830 -11.507 126 H GLY 17 H GLY 17 -13.731 8.145 -16.504 127 HA2 GLY 17 1HA GLY 17 -11.917 8.988 -18.225 128 HA3 GLY 17 2HA GLY 17 -10.850 8.527 -16.901 129 H LEU 18 H LEU 18 -12.243 6.354 -15.913 130 HA LEU 18 HA LEU 18 -11.804 4.286 -17.993 131 HB2 LEU 18 1HB LEU 18 -11.754 4.165 -14.946 132 HB3 LEU 18 2HB LEU 18 -11.770 2.723 -15.946 133 HG LEU 18 HG LEU 18 -9.595 3.530 -16.998 134 HD11 LEU 18 1HD1 LEU 18 -8.221 5.157 -15.776 135 HD12 LEU 18 2HD1 LEU 18 -9.586 5.513 -14.715 136 HD13 LEU 18 3HD1 LEU 18 -9.683 5.892 -16.434 137 HD21 LEU 18 3HD2 LEU 18 -8.184 2.752 -15.144 138 HD22 LEU 18 1HD2 LEU 18 -9.626 1.751 -15.312 139 HD23 LEU 18 2HD2 LEU 18 -9.531 2.949 -14.020 140 H ASP 19 H ASP 19 -13.245 2.350 -17.848 141 HA ASP 19 HA ASP 19 -16.011 2.987 -17.984 142 HB2 ASP 19 1HB ASP 19 -15.067 1.130 -19.295 143 HB3 ASP 19 2HB ASP 19 -14.622 0.269 -17.826 144 H GLN 20 H GLN 20 -17.671 2.642 -16.539 145 HA GLN 20 HA GLN 20 -17.088 2.955 -13.798 146 HB2 GLN 20 1HB GLN 20 -19.095 3.929 -14.855 147 HB3 GLN 20 2HB GLN 20 -19.740 2.323 -15.170 148 HG2 GLN 20 1HG GLN 20 -19.948 1.923 -12.738 149 HG3 GLN 20 2HG GLN 20 -19.272 3.517 -12.412 150 HE21 GLN 20 2HE2 GLN 20 -21.863 2.421 -11.640 151 HE22 GLN 20 1HE2 GLN 20 -23.050 3.502 -12.276 152 H GLN 21 H GLN 21 -16.956 1.532 -12.152 153 HA GLN 21 HA GLN 21 -18.380 -1.001 -12.225 154 HB2 GLN 21 1HB GLN 21 -15.896 -1.322 -13.067 155 HB3 GLN 21 2HB GLN 21 -15.462 -1.129 -11.375 156 HG2 GLN 21 1HG GLN 21 -16.985 -3.038 -10.826 157 HG3 GLN 21 2HG GLN 21 -17.280 -3.262 -12.548 158 HE21 GLN 21 2HE2 GLN 21 -16.191 -5.173 -10.719 159 HE22 GLN 21 1HE2 GLN 21 -14.612 -5.577 -11.279 160 H ASP 22 H ASP 22 -18.592 -1.921 -10.089 161 HA ASP 22 HA ASP 22 -18.997 0.182 -8.123 162 HB2 ASP 22 1HB ASP 22 -20.792 -1.398 -8.775 163 HB3 ASP 22 2HB ASP 22 -19.813 -2.759 -8.263 164 H ILE 23 H ILE 23 -16.326 -0.279 -8.462 165 HA ILE 23 HA ILE 23 -15.295 -2.024 -6.355 166 HB ILE 23 HB ILE 23 -13.052 -1.457 -7.194 167 HG12 ILE 23 1HG1 ILE 23 -14.344 0.275 -9.352 168 HG13 ILE 23 2HG1 ILE 23 -13.621 0.945 -7.895 169 HG21 ILE 23 1HG2 ILE 23 -14.946 -2.177 -9.457 170 HG22 ILE 23 2HG2 ILE 23 -14.283 -3.295 -8.274 171 HG23 ILE 23 3HG2 ILE 23 -13.211 -2.505 -9.425 172 HD11 ILE 23 3HD1 ILE 23 -11.456 -0.019 -8.530 173 HD12 ILE 23 1HD1 ILE 23 -12.097 1.096 -9.737 174 HD13 ILE 23 2HD1 ILE 23 -12.186 -0.642 -10.016 175 H ASN 24 H ASN 24 -14.452 -1.340 -4.464 176 HA ASN 24 HA ASN 24 -13.525 1.378 -4.088 177 HB2 ASN 24 1HB ASN 24 -14.840 1.730 -1.981 178 HB3 ASN 24 2HB ASN 24 -15.824 1.728 -3.436 179 HD21 ASN 24 2HD2 ASN 24 -17.157 -0.079 -3.859 180 HD22 ASN 24 1HD2 ASN 24 -17.676 -1.117 -2.584 181 H ILE 25 H ILE 25 -11.753 1.351 -2.908 182 HA ILE 25 HA ILE 25 -11.018 -1.060 -1.369 183 HB ILE 25 HB ILE 25 -9.154 0.298 -3.378 184 HG12 ILE 25 1HG1 ILE 25 -10.667 -2.346 -3.667 185 HG13 ILE 25 2HG1 ILE 25 -10.935 -0.894 -4.614 186 HG21 ILE 25 1HG2 ILE 25 -8.810 -2.252 -1.742 187 HG22 ILE 25 2HG2 ILE 25 -7.978 -0.722 -1.463 188 HG23 ILE 25 3HG2 ILE 25 -7.659 -1.639 -2.933 189 HD11 ILE 25 3HD1 ILE 25 -8.705 -1.130 -5.586 190 HD12 ILE 25 1HD1 ILE 25 -9.725 -2.540 -5.868 191 HD13 ILE 25 2HD1 ILE 25 -8.463 -2.603 -4.640 192 H HIS 26 H HIS 26 -10.059 -0.580 0.476 193 HA HIS 26 HA HIS 26 -9.155 2.181 1.063 194 HB2 HIS 26 1HB HIS 26 -9.878 -0.072 3.009 195 HB3 HIS 26 2HB HIS 26 -9.514 1.598 3.422 196 HD1 HIS 26 HD1 HIS 26 -11.720 2.016 4.595 197 HD2 HIS 26 HD2 HIS 26 -12.237 0.724 0.689 198 HE1 HIS 26 HE1 HIS 26 -14.147 2.321 4.094 199 HE2 HIS 26 HE2 HIS 26 -14.462 1.304 1.832 200 H ILE 27 H ILE 27 -6.952 2.258 0.778 201 HA ILE 27 HA ILE 27 -5.288 -0.107 1.432 202 HB ILE 27 HB ILE 27 -4.616 2.294 -0.341 203 HG12 ILE 27 1HG1 ILE 27 -5.141 -0.629 -1.080 204 HG13 ILE 27 2HG1 ILE 27 -6.197 0.731 -1.442 205 HG21 ILE 27 1HG2 ILE 27 -2.496 1.110 -0.882 206 HG22 ILE 27 2HG2 ILE 27 -2.899 -0.151 0.284 207 HG23 ILE 27 3HG2 ILE 27 -2.596 1.498 0.837 208 HD11 ILE 27 3HD1 ILE 27 -4.974 0.018 -3.399 209 HD12 ILE 27 1HD1 ILE 27 -3.438 0.269 -2.575 210 HD13 ILE 27 2HD1 ILE 27 -4.480 1.646 -2.939 211 H ARG 28 H ARG 28 -4.629 0.084 3.450 212 HA ARG 28 HA ARG 28 -3.935 2.679 4.664 213 HB2 ARG 28 1HB ARG 28 -4.344 -0.046 5.983 214 HB3 ARG 28 2HB ARG 28 -4.147 1.499 6.808 215 HG2 ARG 28 1HG ARG 28 -6.318 2.262 5.973 216 HG3 ARG 28 2HG ARG 28 -6.508 0.779 5.031 217 HD2 ARG 28 1HD ARG 28 -7.809 0.691 7.128 218 HD3 ARG 28 2HD ARG 28 -6.553 -0.551 7.091 219 HE ARG 28 HE ARG 28 -5.669 1.846 8.399 220 HH11 ARG 28 1HH1 ARG 28 -7.588 -1.053 8.954 221 HH12 ARG 28 2HH1 ARG 28 -7.278 -1.071 10.662 222 HH21 ARG 28 1HH2 ARG 28 -5.278 1.796 10.647 223 HH22 ARG 28 2HH2 ARG 28 -5.981 0.537 11.618 224 H TYR 29 H TYR 29 -1.775 3.075 4.334 225 HA TYR 29 HA TYR 29 0.116 0.847 4.814 226 HB2 TYR 29 1HB TYR 29 1.694 1.736 3.260 227 HB3 TYR 29 2HB TYR 29 0.153 1.681 2.426 228 HD1 TYR 29 HD2 TYR 29 -1.108 3.893 2.034 229 HD2 TYR 29 HD1 TYR 29 2.925 3.774 3.464 230 HE1 TYR 29 HE2 TYR 29 -0.797 6.252 1.398 231 HE2 TYR 29 HE1 TYR 29 3.228 6.121 2.834 232 HH TYR 29 HH TYR 29 2.213 7.737 1.213 233 H GLU 30 H GLU 30 1.171 1.069 6.656 234 HA GLU 30 HA GLU 30 1.535 3.747 7.868 235 HB2 GLU 30 1HB GLU 30 0.767 1.201 9.378 236 HB3 GLU 30 2HB GLU 30 1.036 2.791 10.082 237 HG2 GLU 30 1HG GLU 30 -0.918 3.608 8.634 238 HG3 GLU 30 2HG GLU 30 -1.253 1.910 8.309 239 H VAL 31 H VAL 31 3.641 4.108 7.960 240 HA VAL 31 HA VAL 31 5.596 1.964 7.982 241 HB VAL 31 HB VAL 31 6.007 3.922 6.569 242 HG11 VAL 31 1HG1 VAL 31 4.879 5.671 7.884 243 HG12 VAL 31 2HG1 VAL 31 6.521 6.151 7.463 244 HG13 VAL 31 3HG1 VAL 31 6.162 5.601 9.098 245 HG21 VAL 31 3HG2 VAL 31 7.967 2.695 7.420 246 HG22 VAL 31 1HG2 VAL 31 8.052 3.770 8.818 247 HG23 VAL 31 2HG2 VAL 31 8.343 4.401 7.194 248 H ARG 32 H ARG 32 6.521 1.156 9.735 249 HA ARG 32 HA ARG 32 6.754 2.674 12.245 250 HB2 ARG 32 1HB ARG 32 4.639 1.152 12.228 251 HB3 ARG 32 2HB ARG 32 5.753 -0.208 12.224 252 HG2 ARG 32 1HG ARG 32 6.768 0.969 14.354 253 HG3 ARG 32 2HG ARG 32 5.222 1.811 14.401 254 HD2 ARG 32 1HD ARG 32 4.131 -0.503 14.365 255 HD3 ARG 32 2HD ARG 32 5.748 -1.162 14.650 256 HE ARG 32 HE ARG 32 4.014 0.112 16.544 257 HH11 ARG 32 1HH1 ARG 32 7.437 -0.480 15.891 258 HH12 ARG 32 2HH1 ARG 32 7.906 -0.174 17.529 259 HH21 ARG 32 1HH2 ARG 32 4.673 0.476 18.682 260 HH22 ARG 32 2HH2 ARG 32 6.351 0.349 19.105 261 H GLN 33 H GLN 33 8.352 1.486 13.741 262 HA GLN 33 HA GLN 33 10.380 0.029 12.169 263 HB2 GLN 33 1HB GLN 33 10.852 1.407 14.837 264 HB3 GLN 33 2HB GLN 33 12.053 0.869 13.677 265 HG2 GLN 33 1HG GLN 33 10.159 3.208 13.333 266 HG3 GLN 33 2HG GLN 33 11.859 3.316 13.759 267 HE21 GLN 33 2HE2 GLN 33 9.588 2.944 11.193 268 HE22 GLN 33 1HE2 GLN 33 10.723 2.969 9.899 269 H ASN 34 H ASN 34 10.304 -2.124 12.537 270 HA ASN 34 HA ASN 34 9.450 -3.248 15.107 271 HB2 ASN 34 1HB ASN 34 9.395 -5.378 13.994 272 HB3 ASN 34 2HB ASN 34 8.660 -4.223 12.893 273 HD21 ASN 34 2HD2 ASN 34 10.109 -3.394 11.136 274 HD22 ASN 34 1HD2 ASN 34 11.245 -4.495 10.452 275 H ALA 35 H ALA 35 10.837 -4.869 16.172 276 HA ALA 35 HA ALA 35 13.442 -3.783 16.658 277 HB1 ALA 35 3HB ALA 35 13.616 -5.491 18.406 278 HB2 ALA 35 1HB ALA 35 12.198 -6.323 17.758 279 HB3 ALA 35 2HB ALA 35 12.032 -4.711 18.455 280 H GLU 36 H GLU 36 12.358 -6.232 14.483 281 HA GLU 36 HA GLU 36 14.752 -7.880 14.595 282 HB2 GLU 36 1HB GLU 36 12.285 -8.048 12.813 283 HB3 GLU 36 2HB GLU 36 13.597 -9.219 12.799 284 HG2 GLU 36 1HG GLU 36 11.748 -10.121 14.054 285 HG3 GLU 36 2HG GLU 36 13.095 -9.809 15.144 286 H SER 37 H SER 37 13.167 -5.814 12.170 287 HA SER 37 HA SER 37 15.543 -5.975 10.411 288 HB2 SER 37 1HB SER 37 13.572 -7.254 9.565 289 HB3 SER 37 2HB SER 37 12.604 -5.782 9.605 290 HG SER 37 HG SER 37 14.886 -5.376 8.218 291 H GLY 38 H GLY 38 13.981 -3.880 12.420 292 HA2 GLY 38 1HA GLY 38 14.390 -1.616 12.721 293 HA3 GLY 38 2HA GLY 38 15.169 -1.544 11.138 294 H ALA 39 H ALA 39 14.042 -0.266 9.770 295 HA ALA 39 HA ALA 39 11.327 0.491 10.158 296 HB1 ALA 39 3HB ALA 39 12.947 1.971 9.063 297 HB2 ALA 39 1HB ALA 39 11.548 1.689 8.025 298 HB3 ALA 39 2HB ALA 39 13.072 0.857 7.700 299 H TYR 40 H TYR 40 9.468 -0.099 9.118 300 HA TYR 40 HA TYR 40 9.461 -1.644 6.664 301 HB2 TYR 40 1HB TYR 40 8.192 -3.545 7.383 302 HB3 TYR 40 2HB TYR 40 9.485 -3.409 8.564 303 HD1 TYR 40 HD1 TYR 40 8.891 -2.194 10.816 304 HD2 TYR 40 HD2 TYR 40 5.912 -3.714 8.141 305 HE1 TYR 40 HE1 TYR 40 7.253 -2.211 12.636 306 HE2 TYR 40 HE2 TYR 40 4.282 -3.715 9.971 307 HH TYR 40 HH TYR 40 4.387 -3.868 12.511 308 H VAL 41 H VAL 41 7.120 -1.878 5.868 309 HA VAL 41 HA VAL 41 5.284 0.108 7.090 310 HB VAL 41 HB VAL 41 5.426 -0.431 4.085 311 HG11 VAL 41 1HG1 VAL 41 3.930 1.708 5.657 312 HG12 VAL 41 2HG1 VAL 41 3.211 0.299 4.874 313 HG13 VAL 41 3HG1 VAL 41 3.959 1.561 3.897 314 HG21 VAL 41 3HG2 VAL 41 6.546 1.981 5.562 315 HG22 VAL 41 1HG2 VAL 41 6.451 1.801 3.807 316 HG23 VAL 41 2HG2 VAL 41 7.492 0.734 4.750 317 H HIS 42 H HIS 42 3.357 -0.738 7.612 318 HA HIS 42 HA HIS 42 2.603 -3.454 6.839 319 HB2 HIS 42 1HB HIS 42 2.294 -2.823 9.210 320 HB3 HIS 42 2HB HIS 42 1.322 -1.432 8.755 321 HD1 HIS 42 HD1 HIS 42 1.046 -4.963 9.669 322 HD2 HIS 42 HD2 HIS 42 -1.319 -2.205 7.653 323 HE1 HIS 42 HE1 HIS 42 -1.248 -5.957 9.596 324 HE2 HIS 42 HE2 HIS 42 -2.692 -4.211 8.509 325 H PHE 43 H PHE 43 1.150 -3.812 5.206 326 HA PHE 43 HA PHE 43 -0.492 -1.548 4.189 327 HB2 PHE 43 1HB PHE 43 0.367 -4.012 2.612 328 HB3 PHE 43 2HB PHE 43 -0.436 -2.573 1.985 329 HD1 PHE 43 HD1 PHE 43 0.839 -0.402 1.851 330 HD2 PHE 43 HD2 PHE 43 2.769 -4.070 2.904 331 HE1 PHE 43 HE1 PHE 43 3.034 0.602 1.378 332 HE2 PHE 43 HE2 PHE 43 4.946 -3.051 2.440 333 HZ PHE 43 HZ PHE 43 5.088 -0.719 1.668 334 H ASP 44 H ASP 44 -2.655 -1.833 4.128 335 HA ASP 44 HA ASP 44 -3.854 -4.491 4.583 336 HB2 ASP 44 1HB ASP 44 -3.642 -3.289 6.789 337 HB3 ASP 44 2HB ASP 44 -4.590 -1.958 6.131 338 H MET 45 H MET 45 -5.851 -4.715 3.550 339 HA MET 45 HA MET 45 -6.920 -2.465 1.994 340 HB2 MET 45 1HB MET 45 -6.173 -5.200 0.858 341 HB3 MET 45 2HB MET 45 -7.157 -4.021 -0.002 342 HG2 MET 45 1HG MET 45 -5.283 -2.449 -0.049 343 HG3 MET 45 2HG MET 45 -4.297 -3.565 0.893 344 HE1 MET 45 3HE MET 45 -5.618 -4.410 -3.466 345 HE2 MET 45 1HE MET 45 -6.031 -2.927 -2.607 346 HE3 MET 45 2HE MET 45 -6.758 -4.460 -2.121 347 H ASP 46 H ASP 46 -9.097 -2.365 2.096 348 HA ASP 46 HA ASP 46 -10.717 -4.773 2.459 349 HB2 ASP 46 1HB ASP 46 -11.917 -3.996 4.435 350 HB3 ASP 46 2HB ASP 46 -10.200 -4.064 4.798 351 H GLY 47 H GLY 47 -13.010 -4.382 2.190 352 HA2 GLY 47 1HA GLY 47 -14.553 -2.272 1.845 353 HA3 GLY 47 2HA GLY 47 -13.603 -2.148 0.369 354 H GLU 48 H GLU 48 -15.171 -2.570 -1.049 355 HA GLU 48 HA GLU 48 -15.865 -5.333 -1.462 356 HB2 GLU 48 1HB GLU 48 -18.322 -4.735 -2.032 357 HB3 GLU 48 2HB GLU 48 -17.899 -4.978 -0.351 358 HG2 GLU 48 1HG GLU 48 -17.905 -2.175 -1.436 359 HG3 GLU 48 2HG GLU 48 -19.448 -2.964 -1.134 360 H ILE 49 H ILE 49 -17.225 -5.236 -3.979 361 HA ILE 49 HA ILE 49 -15.779 -3.694 -5.675 362 HB ILE 49 HB ILE 49 -14.381 -6.327 -4.984 363 HG12 ILE 49 1HG1 ILE 49 -13.225 -3.549 -5.564 364 HG13 ILE 49 2HG1 ILE 49 -13.495 -4.206 -3.956 365 HG21 ILE 49 1HG2 ILE 49 -14.280 -4.872 -7.665 366 HG22 ILE 49 2HG2 ILE 49 -14.756 -6.540 -7.370 367 HG23 ILE 49 3HG2 ILE 49 -13.072 -6.062 -7.167 368 HD11 ILE 49 3HD1 ILE 49 -11.821 -5.900 -4.327 369 HD12 ILE 49 1HD1 ILE 49 -11.164 -4.298 -4.655 370 HD13 ILE 49 2HD1 ILE 49 -11.598 -5.359 -5.996 371 H ASP 50 H ASP 50 -17.483 -3.759 -7.047 372 HA ASP 50 HA ASP 50 -19.288 -4.442 -8.281 373 HB2 ASP 50 1HB ASP 50 -17.330 -5.441 -9.520 374 HB3 ASP 50 2HB ASP 50 -17.560 -6.937 -8.625 375 H GLY 51 H GLY 51 -19.431 -5.019 -5.412 376 HA2 GLY 51 1HA GLY 51 -20.903 -5.995 -3.925 377 HA3 GLY 51 2HA GLY 51 -21.544 -6.984 -5.226 378 H LYS 52 H LYS 52 -18.415 -6.641 -3.596 379 HA LYS 52 HA LYS 52 -18.310 -9.482 -2.838 380 HB2 LYS 52 1HB LYS 52 -16.300 -8.300 -4.789 381 HB3 LYS 52 2HB LYS 52 -15.981 -9.771 -3.880 382 HG2 LYS 52 1HG LYS 52 -17.677 -10.986 -5.045 383 HG3 LYS 52 2HG LYS 52 -18.384 -9.511 -5.708 384 HD2 LYS 52 1HD LYS 52 -17.076 -10.804 -7.401 385 HD3 LYS 52 2HD LYS 52 -16.476 -9.163 -7.163 386 HE2 LYS 52 1HE LYS 52 -14.669 -10.036 -5.716 387 HE3 LYS 52 2HE LYS 52 -15.263 -11.677 -5.967 388 HZ1 LYS 52 3HZ LYS 52 -14.787 -11.454 -8.305 389 HZ2 LYS 52 1HZ LYS 52 -13.400 -11.141 -7.393 390 HZ3 LYS 52 2HZ LYS 52 -14.264 -9.862 -8.085 391 HA PRO 53 HA PRO 53 -16.246 -6.996 0.420 392 HB2 PRO 53 1HB PRO 53 -16.793 -8.606 2.540 393 HB3 PRO 53 2HB PRO 53 -18.045 -7.614 1.779 394 HG2 PRO 53 1HG PRO 53 -17.510 -10.557 1.467 395 HG3 PRO 53 2HG PRO 53 -19.064 -9.703 1.589 396 HD2 PRO 53 1HD PRO 53 -17.895 -10.547 -0.806 397 HD3 PRO 53 2HD PRO 53 -19.126 -9.275 -0.679 398 H PHE 54 H PHE 54 -14.057 -6.994 0.569 399 HA PHE 54 HA PHE 54 -12.588 -9.561 0.890 400 HB2 PHE 54 1HB PHE 54 -10.852 -8.837 -0.607 401 HB3 PHE 54 2HB PHE 54 -12.374 -8.611 -1.449 402 HD1 PHE 54 HD1 PHE 54 -13.400 -6.158 -1.308 403 HD2 PHE 54 HD2 PHE 54 -9.277 -7.080 -0.624 404 HE1 PHE 54 HE1 PHE 54 -12.790 -3.826 -1.773 405 HE2 PHE 54 HE2 PHE 54 -8.683 -4.741 -1.092 406 HZ PHE 54 HZ PHE 54 -10.439 -3.116 -1.662 407 H SER 55 H SER 55 -10.950 -9.593 2.354 408 HA SER 55 HA SER 55 -9.871 -7.065 3.424 409 HB2 SER 55 1HB SER 55 -9.892 -8.132 5.747 410 HB3 SER 55 2HB SER 55 -11.478 -7.695 5.115 411 HG SER 55 HG SER 55 -10.313 -10.284 5.111 412 H ASP 56 H ASP 56 -7.854 -7.140 2.801 413 HA ASP 56 HA ASP 56 -6.204 -9.582 3.078 414 HB2 ASP 56 1HB ASP 56 -6.001 -7.328 1.014 415 HB3 ASP 56 2HB ASP 56 -4.837 -8.642 1.170 416 H SER 57 H SER 57 -4.105 -9.273 3.875 417 HA SER 57 HA SER 57 -3.114 -6.587 4.477 418 HB2 SER 57 1HB SER 57 -2.631 -7.185 6.878 419 HB3 SER 57 2HB SER 57 -4.357 -7.102 6.521 420 HG SER 57 HG SER 57 -2.805 -9.481 6.645 421 H PHE 58 H PHE 58 -1.075 -6.510 3.874 422 HA PHE 58 HA PHE 58 0.746 -8.802 4.218 423 HB2 PHE 58 1HB PHE 58 1.696 -8.395 1.931 424 HB3 PHE 58 2HB PHE 58 0.041 -8.982 1.884 425 HD1 PHE 58 HD2 PHE 58 -1.830 -7.403 1.288 426 HD2 PHE 58 HD1 PHE 58 2.276 -6.220 1.002 427 HE1 PHE 58 HE2 PHE 58 -2.466 -5.523 -0.160 428 HE2 PHE 58 HE1 PHE 58 1.624 -4.332 -0.439 429 HZ PHE 58 HZ PHE 58 -0.739 -3.995 -1.028 430 H GLU 59 H GLU 59 2.916 -8.172 4.568 431 HA GLU 59 HA GLU 59 3.404 -5.266 4.942 432 HB2 GLU 59 1HB GLU 59 4.335 -7.543 6.749 433 HB3 GLU 59 2HB GLU 59 4.834 -5.860 6.915 434 HG2 GLU 59 1HG GLU 59 2.565 -5.181 7.440 435 HG3 GLU 59 2HG GLU 59 1.965 -6.801 7.128 436 H LEU 60 H LEU 60 5.337 -4.504 4.236 437 HA LEU 60 HA LEU 60 7.359 -6.413 3.200 438 HB2 LEU 60 1HB LEU 60 6.526 -3.734 2.025 439 HB3 LEU 60 2HB LEU 60 7.893 -4.681 1.464 440 HG LEU 60 HG LEU 60 5.013 -5.673 1.356 441 HD11 LEU 60 1HD1 LEU 60 5.211 -3.719 -0.106 442 HD12 LEU 60 2HD1 LEU 60 5.052 -5.192 -1.060 443 HD13 LEU 60 3HD1 LEU 60 6.631 -4.422 -0.889 444 HD21 LEU 60 3HD2 LEU 60 7.543 -6.746 0.058 445 HD22 LEU 60 1HD2 LEU 60 5.912 -7.379 -0.183 446 HD23 LEU 60 2HD2 LEU 60 6.668 -7.479 1.404 447 HA PRO 61 HA PRO 61 9.960 -4.186 6.195 448 HB2 PRO 61 1HB PRO 61 12.403 -5.198 5.384 449 HB3 PRO 61 2HB PRO 61 11.253 -6.121 6.361 450 HG2 PRO 61 1HG PRO 61 11.672 -6.192 3.369 451 HG3 PRO 61 2HG PRO 61 11.536 -7.549 4.512 452 HD2 PRO 61 1HD PRO 61 9.429 -6.772 3.024 453 HD3 PRO 61 2HD PRO 61 9.202 -7.318 4.703 454 H ARG 62 H ARG 62 11.759 -2.655 6.140 455 HA ARG 62 HA ARG 62 11.668 -0.502 4.564 456 HB2 ARG 62 1HB ARG 62 13.922 0.106 5.258 457 HB3 ARG 62 2HB ARG 62 13.103 -0.713 6.582 458 HG2 ARG 62 1HG ARG 62 14.356 -2.789 6.083 459 HG3 ARG 62 2HG ARG 62 15.162 -1.979 4.741 460 HD2 ARG 62 1HD ARG 62 16.008 -0.291 6.509 461 HD3 ARG 62 2HD ARG 62 15.514 -1.493 7.711 462 HE ARG 62 HE ARG 62 17.457 -2.012 5.532 463 HH11 ARG 62 1HH1 ARG 62 16.540 -2.427 8.884 464 HH12 ARG 62 2HH1 ARG 62 17.930 -3.382 9.257 465 HH21 ARG 62 1HH2 ARG 62 19.261 -3.256 6.042 466 HH22 ARG 62 2HH2 ARG 62 19.468 -3.870 7.655 467 H ASP 63 H ASP 63 13.497 -3.393 3.717 468 HA ASP 63 HA ASP 63 14.992 -2.322 1.564 469 HB2 ASP 63 1HB ASP 63 15.666 -4.303 2.914 470 HB3 ASP 63 2HB ASP 63 14.322 -5.223 2.248 471 H THR 64 H THR 64 11.707 -3.561 1.699 472 HA THR 64 HA THR 64 11.559 -3.771 -1.242 473 HB THR 64 HB THR 64 10.122 -5.844 -0.978 474 HG1 THR 64 HG1 THR 64 9.825 -6.710 0.955 475 HG21 THR 64 3HG2 THR 64 12.968 -6.163 0.065 476 HG22 THR 64 1HG2 THR 64 12.501 -6.111 -1.637 477 HG23 THR 64 2HG2 THR 64 11.971 -7.446 -0.616 478 H ALA 65 H ALA 65 10.481 -2.108 1.299 479 HA ALA 65 HA ALA 65 7.674 -2.269 1.338 480 HB1 ALA 65 3HB ALA 65 7.734 -0.064 2.425 481 HB2 ALA 65 1HB ALA 65 9.415 0.152 1.920 482 HB3 ALA 65 2HB ALA 65 8.994 -1.117 3.071 483 H PHE 66 H PHE 66 9.834 -0.438 -0.671 484 HA PHE 66 HA PHE 66 8.120 1.197 -2.084 485 HB2 PHE 66 1HB PHE 66 10.584 -0.099 -3.319 486 HB3 PHE 66 2HB PHE 66 9.918 1.497 -3.652 487 HD1 PHE 66 HD2 PHE 66 9.875 3.167 -1.576 488 HD2 PHE 66 HD1 PHE 66 12.400 -0.281 -1.837 489 HE1 PHE 66 HE2 PHE 66 11.385 4.129 0.103 490 HE2 PHE 66 HE1 PHE 66 13.895 0.694 -0.148 491 HZ PHE 66 HZ PHE 66 13.391 2.905 0.821 492 H ASN 67 H ASN 67 8.468 -2.241 -2.414 493 HA ASN 67 HA ASN 67 7.688 -2.497 -5.166 494 HB2 ASN 67 1HB ASN 67 7.839 -4.512 -2.895 495 HB3 ASN 67 2HB ASN 67 7.438 -4.957 -4.554 496 HD21 ASN 67 2HD2 ASN 67 9.678 -5.826 -2.929 497 HD22 ASN 67 1HD2 ASN 67 11.104 -5.407 -3.813 498 H PHE 68 H PHE 68 5.847 -1.284 -2.796 499 HA PHE 68 HA PHE 68 3.547 -2.963 -2.671 500 HB2 PHE 68 1HB PHE 68 2.691 -1.354 -1.169 501 HB3 PHE 68 2HB PHE 68 4.425 -1.247 -0.918 502 HD1 PHE 68 HD1 PHE 68 5.568 0.587 -2.694 503 HD2 PHE 68 HD2 PHE 68 1.576 0.699 -1.153 504 HE1 PHE 68 HE1 PHE 68 5.453 2.999 -3.166 505 HE2 PHE 68 HE2 PHE 68 1.474 3.113 -1.623 506 HZ PHE 68 HZ PHE 68 3.403 4.265 -2.637 507 H ALA 69 H ALA 69 4.602 -0.730 -5.082 508 HA ALA 69 HA ALA 69 2.029 0.587 -5.515 509 HB1 ALA 69 3HB ALA 69 4.103 1.886 -5.791 510 HB2 ALA 69 1HB ALA 69 3.220 1.788 -7.314 511 HB3 ALA 69 2HB ALA 69 4.647 0.779 -7.052 512 H SER 70 H SER 70 4.218 -1.661 -7.045 513 HA SER 70 HA SER 70 2.511 -2.478 -9.190 514 HB2 SER 70 1HB SER 70 4.941 -3.888 -8.004 515 HB3 SER 70 2HB SER 70 4.253 -4.142 -9.612 516 HG SER 70 HG SER 70 5.197 -2.374 -10.302 517 H ASP 71 H ASP 71 3.205 -3.604 -5.891 518 HA ASP 71 HA ASP 71 2.030 -6.201 -6.211 519 HB2 ASP 71 1HB ASP 71 3.892 -5.721 -4.608 520 HB3 ASP 71 2HB ASP 71 2.775 -4.780 -3.625 521 H ALA 72 H ALA 72 1.030 -3.441 -4.122 522 HA ALA 72 HA ALA 72 -1.429 -4.390 -3.279 523 HB1 ALA 72 3HB ALA 72 -2.009 -2.083 -2.697 524 HB2 ALA 72 1HB ALA 72 -0.717 -1.475 -3.736 525 HB3 ALA 72 2HB ALA 72 -0.323 -2.416 -2.299 526 H THR 73 H THR 73 -0.690 -2.624 -6.273 527 HA THR 73 HA THR 73 -3.360 -2.369 -7.205 528 HB THR 73 HB THR 73 -0.755 -2.494 -8.799 529 HG1 THR 73 HG1 THR 73 -0.802 -0.705 -7.451 530 HG21 THR 73 3HG2 THR 73 -2.023 -1.370 -10.619 531 HG22 THR 73 1HG2 THR 73 -3.517 -1.545 -9.697 532 HG23 THR 73 2HG2 THR 73 -2.672 -2.976 -10.295 533 H ARG 74 H ARG 74 -0.830 -4.839 -7.873 534 HA ARG 74 HA ARG 74 -2.313 -6.644 -9.401 535 HB2 ARG 74 1HB ARG 74 0.148 -6.747 -9.034 536 HB3 ARG 74 2HB ARG 74 -0.128 -7.303 -7.386 537 HG2 ARG 74 1HG ARG 74 -1.258 -9.349 -8.340 538 HG3 ARG 74 2HG ARG 74 -0.791 -8.791 -9.952 539 HD2 ARG 74 1HD ARG 74 1.597 -8.838 -9.237 540 HD3 ARG 74 2HD ARG 74 1.093 -9.482 -7.672 541 HE ARG 74 HE ARG 74 0.294 -11.001 -10.027 542 HH11 ARG 74 1HH1 ARG 74 2.577 -10.708 -7.365 543 HH12 ARG 74 2HH1 ARG 74 3.192 -12.317 -7.564 544 HH21 ARG 74 1HH2 ARG 74 1.118 -13.101 -10.274 545 HH22 ARG 74 2HH2 ARG 74 2.366 -13.673 -9.213 546 H VAL 75 H VAL 75 -2.254 -6.218 -5.898 547 HA VAL 75 HA VAL 75 -3.729 -8.570 -5.155 548 HB VAL 75 HB VAL 75 -3.325 -5.930 -3.640 549 HG11 VAL 75 1HG1 VAL 75 -4.020 -7.153 -1.595 550 HG12 VAL 75 2HG1 VAL 75 -4.391 -8.577 -2.569 551 HG13 VAL 75 3HG1 VAL 75 -5.324 -7.097 -2.781 552 HG21 VAL 75 3HG2 VAL 75 -1.211 -7.124 -4.037 553 HG22 VAL 75 1HG2 VAL 75 -1.885 -8.595 -3.333 554 HG23 VAL 75 2HG2 VAL 75 -1.630 -7.166 -2.328 555 H ALA 76 H ALA 76 -4.518 -5.268 -6.126 556 HA ALA 76 HA ALA 76 -7.270 -5.249 -5.338 557 HB1 ALA 76 3HB ALA 76 -5.760 -3.522 -7.338 558 HB2 ALA 76 1HB ALA 76 -5.987 -3.167 -5.624 559 HB3 ALA 76 2HB ALA 76 -7.375 -3.188 -6.711 560 H GLN 77 H GLN 77 -5.518 -5.764 -8.363 561 HA GLN 77 HA GLN 77 -7.762 -6.015 -10.094 562 HB2 GLN 77 1HB GLN 77 -4.952 -7.063 -10.624 563 HB3 GLN 77 2HB GLN 77 -6.180 -6.677 -11.822 564 HG2 GLN 77 1HG GLN 77 -4.626 -4.744 -10.093 565 HG3 GLN 77 2HG GLN 77 -4.534 -4.928 -11.837 566 HE21 GLN 77 2HE2 GLN 77 -5.196 -2.588 -10.065 567 HE22 GLN 77 1HE2 GLN 77 -6.696 -1.990 -10.674 568 H LYS 78 H LYS 78 -6.026 -8.231 -8.086 569 HA LYS 78 HA LYS 78 -6.741 -10.750 -9.100 570 HB2 LYS 78 1HB LYS 78 -5.047 -10.324 -7.321 571 HB3 LYS 78 2HB LYS 78 -6.332 -9.869 -6.211 572 HG2 LYS 78 1HG LYS 78 -7.244 -12.209 -6.403 573 HG3 LYS 78 2HG LYS 78 -5.832 -12.632 -7.377 574 HD2 LYS 78 1HD LYS 78 -5.779 -11.632 -4.495 575 HD3 LYS 78 2HD LYS 78 -5.530 -13.299 -5.014 576 HE2 LYS 78 1HE LYS 78 -3.509 -12.592 -6.266 577 HE3 LYS 78 2HE LYS 78 -3.745 -10.937 -5.695 578 HZ1 LYS 78 3HZ LYS 78 -3.514 -11.784 -3.420 579 HZ2 LYS 78 1HZ LYS 78 -2.129 -12.036 -4.346 580 HZ3 LYS 78 2HZ LYS 78 -3.180 -13.321 -4.025 581 H HIS 79 H HIS 79 -8.587 -8.383 -7.319 582 HA HIS 79 HA HIS 79 -10.744 -10.229 -6.582 583 HB2 HIS 79 1HB HIS 79 -10.354 -7.275 -5.990 584 HB3 HIS 79 2HB HIS 79 -11.675 -8.256 -5.372 585 HD1 HIS 79 HD1 HIS 79 -8.211 -7.293 -4.680 586 HD2 HIS 79 HD2 HIS 79 -10.818 -10.283 -3.461 587 HE1 HIS 79 HE1 HIS 79 -7.206 -8.258 -2.597 588 HE2 HIS 79 HE2 HIS 79 -8.891 -9.921 -1.780 589 H GLY 80 H GLY 80 -10.081 -9.006 -9.448 590 HA2 GLY 80 1HA GLY 80 -11.391 -8.794 -11.320 591 HA3 GLY 80 2HA GLY 80 -12.824 -8.905 -10.313 592 H LEU 81 H LEU 81 -10.178 -6.641 -11.120 593 HA LEU 81 HA LEU 81 -12.146 -4.408 -11.247 594 HB2 LEU 81 1HB LEU 81 -9.194 -4.477 -10.572 595 HB3 LEU 81 2HB LEU 81 -9.866 -3.030 -11.285 596 HG LEU 81 HG LEU 81 -11.416 -2.813 -9.351 597 HD11 LEU 81 1HD1 LEU 81 -11.606 -5.088 -8.621 598 HD12 LEU 81 2HD1 LEU 81 -10.971 -4.110 -7.304 599 HD13 LEU 81 3HD1 LEU 81 -9.891 -5.157 -8.226 600 HD21 LEU 81 3HD2 LEU 81 -8.465 -2.912 -8.628 601 HD22 LEU 81 1HD2 LEU 81 -9.721 -2.022 -7.761 602 HD23 LEU 81 2HD2 LEU 81 -9.305 -1.569 -9.409 603 H HIS 82 H HIS 82 -12.106 -3.077 -13.095 604 HA HIS 82 HA HIS 82 -11.419 -4.119 -15.601 605 HB2 HIS 82 1HB HIS 82 -11.855 -1.201 -14.876 606 HB3 HIS 82 2HB HIS 82 -11.739 -1.808 -16.522 607 HD1 HIS 82 HD1 HIS 82 -13.623 -4.248 -16.351 608 HD2 HIS 82 HD2 HIS 82 -14.463 -0.505 -14.762 609 HE1 HIS 82 HE1 HIS 82 -16.128 -4.123 -16.196 610 HE2 HIS 82 HE2 HIS 82 -16.590 -1.750 -15.508 611 HA PRO 83 HA PRO 83 -7.371 -1.129 -15.491 612 HB2 PRO 83 1HB PRO 83 -6.715 -1.422 -12.565 613 HB3 PRO 83 2HB PRO 83 -6.443 -0.054 -13.652 614 HG2 PRO 83 1HG PRO 83 -8.446 0.013 -11.886 615 HG3 PRO 83 2HG PRO 83 -8.670 0.661 -13.528 616 HD2 PRO 83 1HD PRO 83 -9.604 -1.953 -12.374 617 HD3 PRO 83 2HD PRO 83 -10.444 -0.849 -13.477 618 H LYS 84 H LYS 84 -7.953 -4.274 -14.396 619 HA LYS 84 HA LYS 84 -5.449 -5.381 -13.939 620 HB2 LYS 84 1HB LYS 84 -7.726 -6.462 -13.622 621 HB3 LYS 84 2HB LYS 84 -7.787 -6.743 -15.351 622 HG2 LYS 84 1HG LYS 84 -5.570 -7.887 -13.612 623 HG3 LYS 84 2HG LYS 84 -7.109 -8.713 -13.816 624 HD2 LYS 84 1HD LYS 84 -5.110 -8.064 -16.018 625 HD3 LYS 84 2HD LYS 84 -5.417 -9.654 -15.317 626 HE2 LYS 84 1HE LYS 84 -7.714 -9.619 -16.221 627 HE3 LYS 84 2HE LYS 84 -7.440 -8.004 -16.878 628 HZ1 LYS 84 3HZ LYS 84 -6.009 -10.476 -17.678 629 HZ2 LYS 84 1HZ LYS 84 -5.692 -8.931 -18.286 630 HZ3 LYS 84 2HZ LYS 84 -7.186 -9.667 -18.582 631 H PHE 85 H PHE 85 -7.170 -4.931 -17.075 632 HA PHE 85 HA PHE 85 -5.003 -5.902 -18.676 633 HB2 PHE 85 1HB PHE 85 -6.219 -5.157 -20.611 634 HB3 PHE 85 2HB PHE 85 -7.415 -5.747 -19.471 635 HD1 PHE 85 HD1 PHE 85 -6.044 -2.707 -21.109 636 HD2 PHE 85 HD2 PHE 85 -9.080 -4.214 -18.505 637 HE1 PHE 85 HE1 PHE 85 -7.272 -0.589 -21.308 638 HE2 PHE 85 HE2 PHE 85 -10.297 -2.088 -18.707 639 HZ PHE 85 HZ PHE 85 -9.394 -0.278 -20.104 640 H GLY 86 H GLY 86 -5.737 -2.890 -17.166 641 HA2 GLY 86 1HA GLY 86 -4.090 -1.180 -18.794 642 HA3 GLY 86 2HA GLY 86 -4.912 -0.760 -17.302 643 H ALA 87 H ALA 87 -2.213 -2.816 -18.393 644 HA ALA 87 HA ALA 87 -0.573 -2.236 -16.078 645 HB1 ALA 87 3HB ALA 87 1.171 -3.492 -17.298 646 HB2 ALA 87 1HB ALA 87 0.142 -3.546 -18.734 647 HB3 ALA 87 2HB ALA 87 -0.348 -4.388 -17.261 648 H ILE 88 H ILE 88 1.393 -0.994 -16.173 649 HA ILE 88 HA ILE 88 2.794 0.695 -16.671 650 HB ILE 88 HB ILE 88 1.550 0.737 -19.461 651 HG12 ILE 88 1HG1 ILE 88 4.171 -0.549 -18.520 652 HG13 ILE 88 2HG1 ILE 88 2.689 -1.429 -18.870 653 HG21 ILE 88 1HG2 ILE 88 3.571 2.001 -20.168 654 HG22 ILE 88 2HG2 ILE 88 4.107 2.076 -18.490 655 HG23 ILE 88 3HG2 ILE 88 2.625 2.897 -18.979 656 HD11 ILE 88 3HD1 ILE 88 4.276 -1.620 -20.684 657 HD12 ILE 88 1HD1 ILE 88 4.330 0.134 -20.861 658 HD13 ILE 88 2HD1 ILE 88 2.840 -0.746 -21.218 659 H THR 89 H THR 89 -0.621 1.311 -17.621 660 HA THR 89 HA THR 89 -0.505 4.116 -17.057 661 HB THR 89 HB THR 89 -2.204 3.097 -18.587 662 HG1 THR 89 HG1 THR 89 -2.686 4.975 -16.635 663 HG21 THR 89 3HG2 THR 89 -2.862 1.126 -17.247 664 HG22 THR 89 1HG2 THR 89 -4.268 2.115 -17.652 665 HG23 THR 89 2HG2 THR 89 -3.576 2.186 -16.030 666 H ARG 90 H ARG 90 -0.851 1.293 -15.136 667 HA ARG 90 HA ARG 90 -1.962 2.478 -12.768 668 HB2 ARG 90 1HB ARG 90 -1.286 0.358 -11.672 669 HB3 ARG 90 2HB ARG 90 -2.136 0.055 -13.184 670 HG2 ARG 90 1HG ARG 90 0.095 -0.305 -14.302 671 HG3 ARG 90 2HG ARG 90 0.866 -0.141 -12.722 672 HD2 ARG 90 1HD ARG 90 0.604 -2.502 -13.321 673 HD3 ARG 90 2HD ARG 90 -0.391 -2.112 -11.910 674 HE ARG 90 HE ARG 90 -2.068 -1.772 -14.056 675 HH11 ARG 90 1HH1 ARG 90 -0.189 -4.513 -12.882 676 HH12 ARG 90 2HH1 ARG 90 -1.315 -5.674 -13.507 677 HH21 ARG 90 1HH2 ARG 90 -3.482 -3.322 -14.858 678 HH22 ARG 90 2HH2 ARG 90 -3.146 -5.006 -14.624 679 H VAL 91 H VAL 91 1.224 2.160 -14.152 680 HA VAL 91 HA VAL 91 2.427 3.692 -11.936 681 HB VAL 91 HB VAL 91 4.637 2.438 -12.467 682 HG11 VAL 91 1HG1 VAL 91 4.117 0.566 -10.923 683 HG12 VAL 91 2HG1 VAL 91 2.390 0.862 -11.146 684 HG13 VAL 91 3HG1 VAL 91 3.399 2.082 -10.368 685 HG21 VAL 91 3HG2 VAL 91 4.441 0.150 -13.412 686 HG22 VAL 91 1HG2 VAL 91 3.929 1.364 -14.587 687 HG23 VAL 91 2HG2 VAL 91 2.722 0.414 -13.721 688 H HIS 92 H HIS 92 1.978 5.545 -13.152 689 HA HIS 92 HA HIS 92 3.092 5.942 -15.822 690 HB2 HIS 92 1HB HIS 92 0.831 6.842 -15.166 691 HB3 HIS 92 2HB HIS 92 1.606 7.894 -13.988 692 HD1 HIS 92 HD1 HIS 92 2.269 10.152 -14.817 693 HD2 HIS 92 HD2 HIS 92 1.517 7.525 -17.939 694 HE1 HIS 92 HE1 HIS 92 2.408 11.533 -16.899 695 HE2 HIS 92 HE2 HIS 92 1.750 9.962 -18.746 696 H LYS 93 H LYS 93 5.050 5.332 -13.944 697 HA LYS 93 HA LYS 93 7.132 5.793 -13.340 698 HB2 LYS 93 1HB LYS 93 6.902 8.340 -14.985 699 HB3 LYS 93 2HB LYS 93 8.400 7.566 -14.472 700 HG2 LYS 93 1HG LYS 93 7.873 5.604 -15.875 701 HG3 LYS 93 2HG LYS 93 6.370 6.374 -16.392 702 HD2 LYS 93 1HD LYS 93 9.212 7.288 -16.993 703 HD3 LYS 93 2HD LYS 93 8.024 6.669 -18.142 704 HE2 LYS 93 1HE LYS 93 7.985 9.334 -16.688 705 HE3 LYS 93 2HE LYS 93 8.101 9.052 -18.425 706 HZ1 LYS 93 3HZ LYS 93 5.741 8.566 -16.697 707 HZ2 LYS 93 1HZ LYS 93 5.831 8.126 -18.325 708 HZ3 LYS 93 2HZ LYS 93 5.913 9.746 -17.887 709 H GLU 94 H GLU 94 4.643 7.350 -12.037 710 HA GLU 94 HA GLU 94 5.940 9.355 -10.413 711 HB2 GLU 94 1HB GLU 94 3.861 9.566 -9.226 712 HB3 GLU 94 2HB GLU 94 3.437 9.337 -10.914 713 HG2 GLU 94 1HG GLU 94 3.353 7.165 -8.795 714 HG3 GLU 94 2HG GLU 94 1.966 8.115 -9.314 715 H TYR 95 H TYR 95 5.840 5.999 -10.460 716 HA TYR 95 HA TYR 95 6.007 5.052 -7.908 717 HB2 TYR 95 1HB TYR 95 5.952 3.611 -9.873 718 HB3 TYR 95 2HB TYR 95 7.522 4.200 -10.409 719 HD1 TYR 95 HD2 TYR 95 6.002 2.600 -7.369 720 HD2 TYR 95 HD1 TYR 95 9.373 2.755 -9.987 721 HE1 TYR 95 HE2 TYR 95 7.063 0.795 -6.117 722 HE2 TYR 95 HE1 TYR 95 10.445 0.945 -8.708 723 HH TYR 95 HH TYR 95 8.724 -0.861 -6.291 724 H ASP 96 H ASP 96 8.556 6.569 -9.829 725 HA ASP 96 HA ASP 96 10.736 6.027 -8.120 726 HB2 ASP 96 1HB ASP 96 10.423 8.252 -10.181 727 HB3 ASP 96 2HB ASP 96 11.949 7.677 -9.510 728 H ALA 97 H ALA 97 8.335 8.609 -8.135 729 HA ALA 97 HA ALA 97 9.777 10.401 -6.394 730 HB1 ALA 97 3HB ALA 97 8.126 11.260 -7.998 731 HB2 ALA 97 1HB ALA 97 7.677 11.706 -6.349 732 HB3 ALA 97 2HB ALA 97 6.836 10.386 -7.172 733 H MET 98 H MET 98 6.943 8.206 -5.948 734 HA MET 98 HA MET 98 6.817 8.601 -3.111 735 HB2 MET 98 1HB MET 98 5.221 6.656 -3.104 736 HB3 MET 98 2HB MET 98 4.772 7.994 -4.145 737 HG2 MET 98 1HG MET 98 5.588 6.713 -6.105 738 HG3 MET 98 2HG MET 98 5.935 5.349 -5.030 739 HE1 MET 98 3HE MET 98 2.558 4.489 -7.124 740 HE2 MET 98 1HE MET 98 4.242 4.013 -6.911 741 HE3 MET 98 2HE MET 98 3.852 5.549 -7.692 742 H PHE 99 H PHE 99 8.441 6.246 -5.097 743 HA PHE 99 HA PHE 99 9.720 4.591 -3.314 744 HB2 PHE 99 1HB PHE 99 10.089 4.704 -5.823 745 HB3 PHE 99 2HB PHE 99 11.141 6.083 -5.569 746 HD1 PHE 99 HD1 PHE 99 13.389 5.757 -4.489 747 HD2 PHE 99 HD2 PHE 99 10.851 2.436 -5.400 748 HE1 PHE 99 HE1 PHE 99 15.298 4.225 -4.275 749 HE2 PHE 99 HE2 PHE 99 12.770 0.913 -5.176 750 HZ PHE 99 HZ PHE 99 14.997 1.810 -4.612 751 H GLU 100 H GLU 100 10.449 8.001 -3.957 752 HA GLU 100 HA GLU 100 12.631 8.118 -2.045 753 HB2 GLU 100 1HB GLU 100 11.327 10.294 -3.700 754 HB3 GLU 100 2HB GLU 100 12.603 10.615 -2.527 755 HG2 GLU 100 1HG GLU 100 14.022 8.910 -3.843 756 HG3 GLU 100 2HG GLU 100 12.792 9.028 -5.100 757 H ASP 101 H ASP 101 9.204 8.774 -2.021 758 HA ASP 101 HA ASP 101 9.185 10.380 0.344 759 HB2 ASP 101 1HB ASP 101 6.996 8.869 -1.106 760 HB3 ASP 101 2HB ASP 101 6.690 9.809 0.352 761 H ILE 102 H ILE 102 8.267 6.923 -0.149 762 HA ILE 102 HA ILE 102 8.068 6.215 2.537 763 HB ILE 102 HB ILE 102 8.947 4.454 0.208 764 HG12 ILE 102 1HG1 ILE 102 6.222 4.934 1.511 765 HG13 ILE 102 2HG1 ILE 102 6.701 5.368 -0.126 766 HG21 ILE 102 1HG2 ILE 102 8.344 2.488 1.593 767 HG22 ILE 102 2HG2 ILE 102 8.018 3.543 2.969 768 HG23 ILE 102 3HG2 ILE 102 9.657 3.400 2.337 769 HD11 ILE 102 3HD1 ILE 102 5.261 3.449 -0.147 770 HD12 ILE 102 1HD1 ILE 102 6.326 2.579 0.953 771 HD13 ILE 102 2HD1 ILE 102 6.872 2.973 -0.676 772 H ARG 103 H ARG 103 10.958 6.332 0.511 773 HA ARG 103 HA ARG 103 12.749 5.255 2.480 774 HB2 ARG 103 1HB ARG 103 14.580 5.699 1.105 775 HB3 ARG 103 2HB ARG 103 13.268 5.441 -0.019 776 HG2 ARG 103 1HG ARG 103 14.374 7.205 -0.999 777 HG3 ARG 103 2HG ARG 103 13.136 8.051 -0.080 778 HD2 ARG 103 1HD ARG 103 14.731 8.674 1.622 779 HD3 ARG 103 2HD ARG 103 15.949 7.609 0.924 780 HE ARG 103 HE ARG 103 16.421 9.180 -0.681 781 HH11 ARG 103 1HH1 ARG 103 13.550 10.265 1.041 782 HH12 ARG 103 2HH1 ARG 103 13.535 11.813 0.265 783 HH21 ARG 103 1HH2 ARG 103 16.371 11.220 -1.682 784 HH22 ARG 103 2HH2 ARG 103 15.120 12.352 -1.273 785 H ALA 104 H ALA 104 11.380 8.415 2.049 786 HA ALA 104 HA ALA 104 13.179 9.836 3.815 787 HB1 ALA 104 3HB ALA 104 11.959 11.029 2.043 788 HB2 ALA 104 1HB ALA 104 11.557 11.673 3.636 789 HB3 ALA 104 2HB ALA 104 10.424 10.607 2.800 790 H LYS 105 H LYS 105 9.832 8.453 4.107 791 HA LYS 105 HA LYS 105 9.421 8.732 6.814 792 HB2 LYS 105 1HB LYS 105 8.683 6.369 5.042 793 HB3 LYS 105 2HB LYS 105 7.952 6.723 6.593 794 HG2 LYS 105 1HG LYS 105 7.788 8.712 4.316 795 HG3 LYS 105 2HG LYS 105 6.683 7.348 4.404 796 HD2 LYS 105 1HD LYS 105 5.573 9.265 5.343 797 HD3 LYS 105 2HD LYS 105 5.932 8.150 6.660 798 HE2 LYS 105 1HE LYS 105 7.848 9.546 7.321 799 HE3 LYS 105 2HE LYS 105 7.514 10.652 5.982 800 HZ1 LYS 105 3HZ LYS 105 5.359 11.119 6.982 801 HZ2 LYS 105 1HZ LYS 105 6.622 11.484 8.048 802 HZ3 LYS 105 2HZ LYS 105 5.713 10.080 8.264 803 H LEU 106 H LEU 106 11.193 6.187 5.150 804 HA LEU 106 HA LEU 106 11.994 4.663 7.367 805 HB2 LEU 106 1HB LEU 106 12.903 4.936 4.517 806 HB3 LEU 106 2HB LEU 106 13.997 4.123 5.614 807 HG LEU 106 HG LEU 106 12.534 2.278 5.934 808 HD11 LEU 106 1HD1 LEU 106 10.261 3.841 4.681 809 HD12 LEU 106 2HD1 LEU 106 10.437 3.444 6.392 810 HD13 LEU 106 3HD1 LEU 106 10.191 2.159 5.215 811 HD21 LEU 106 3HD2 LEU 106 12.172 3.096 3.030 812 HD22 LEU 106 1HD2 LEU 106 12.040 1.459 3.680 813 HD23 LEU 106 2HD2 LEU 106 13.592 2.291 3.701 814 H HIS 107 H HIS 107 13.254 7.649 6.036 815 HA HIS 107 HA HIS 107 15.630 7.758 7.693 816 HB2 HIS 107 1HB HIS 107 15.561 8.899 5.501 817 HB3 HIS 107 2HB HIS 107 14.219 9.901 6.030 818 HD1 HIS 107 HD1 HIS 107 17.913 9.373 6.716 819 HD2 HIS 107 HD2 HIS 107 14.969 12.245 7.276 820 HE1 HIS 107 HE1 HIS 107 19.120 11.420 7.513 821 HE2 HIS 107 HE2 HIS 107 17.342 13.192 7.646 822 H ALA 108 H ALA 108 12.271 8.492 8.082 823 HA ALA 108 HA ALA 108 11.024 8.798 9.920 824 HB1 ALA 108 3HB ALA 108 13.563 9.340 11.497 825 HB2 ALA 108 1HB ALA 108 12.777 7.769 11.328 826 HB3 ALA 108 2HB ALA 108 11.952 9.082 12.167 827 H HIS 109 H HIS 109 11.544 10.724 7.981 828 HA HIS 109 HA HIS 109 10.585 13.104 9.379 829 HB2 HIS 109 1HB HIS 109 13.179 13.002 7.802 830 HB3 HIS 109 2HB HIS 109 12.205 14.470 7.713 831 HD1 HIS 109 HD1 HIS 109 14.911 13.144 9.618 832 HD2 HIS 109 HD2 HIS 109 11.515 15.353 10.560 833 HE1 HIS 109 HE1 HIS 109 15.376 14.192 11.848 834 HE2 HIS 109 HE2 HIS 109 13.253 15.376 12.472 835 HA PRO 110 HA PRO 110 7.419 13.872 6.362 836 HB2 PRO 110 1HB PRO 110 9.195 16.036 5.186 837 HB3 PRO 110 2HB PRO 110 7.436 16.045 5.417 838 HG2 PRO 110 1HG PRO 110 9.036 17.225 7.216 839 HG3 PRO 110 2HG PRO 110 7.610 16.302 7.749 840 HD2 PRO 110 1HD PRO 110 10.501 15.611 7.968 841 HD3 PRO 110 2HD PRO 110 9.132 15.034 8.939 842 H GLY 111 H GLY 111 7.060 12.376 4.927 843 HA2 GLY 111 1HA GLY 111 8.391 12.350 2.311 844 HA3 GLY 111 2HA GLY 111 8.418 10.857 3.262 845 H GLU 112 H GLU 112 6.101 13.423 2.512 846 HA GLU 112 HA GLU 112 3.894 11.478 2.346 847 HB2 GLU 112 1HB GLU 112 3.458 14.464 2.114 848 HB3 GLU 112 2HB GLU 112 2.452 13.252 2.886 849 HG2 GLU 112 1HG GLU 112 5.030 14.381 4.009 850 HG3 GLU 112 2HG GLU 112 3.414 14.894 4.464 851 HA PRO 113 HA PRO 113 4.645 11.906 -2.148 852 HB2 PRO 113 1HB PRO 113 2.315 10.075 -2.475 853 HB3 PRO 113 2HB PRO 113 3.990 9.875 -3.011 854 HG2 PRO 113 1HG PRO 113 3.003 8.442 -0.944 855 HG3 PRO 113 2HG PRO 113 4.687 9.015 -0.953 856 HD2 PRO 113 1HD PRO 113 2.294 10.183 0.488 857 HD3 PRO 113 2HD PRO 113 3.950 9.915 1.084 858 H VAL 114 H VAL 114 3.995 14.089 -2.324 859 HA VAL 114 HA VAL 114 1.176 14.712 -2.749 860 HB VAL 114 HB VAL 114 2.387 16.395 -1.557 861 HG11 VAL 114 1HG1 VAL 114 4.295 17.675 -2.445 862 HG12 VAL 114 2HG1 VAL 114 4.340 16.633 -3.870 863 HG13 VAL 114 3HG1 VAL 114 4.688 15.963 -2.273 864 HG21 VAL 114 3HG2 VAL 114 1.819 17.406 -4.371 865 HG22 VAL 114 1HG2 VAL 114 1.946 18.414 -2.925 866 HG23 VAL 114 2HG2 VAL 114 0.643 17.235 -3.066 867 H ASP 115 H ASP 115 0.526 13.671 -4.495 868 HA ASP 115 HA ASP 115 2.081 13.608 -6.979 869 HB2 ASP 115 1HB ASP 115 0.595 11.794 -7.633 870 HB3 ASP 115 2HB ASP 115 1.191 11.488 -6.011 871 H LEU 116 H LEU 116 1.112 16.165 -6.457 872 HA LEU 116 HA LEU 116 -1.419 16.735 -7.582 873 HB2 LEU 116 1HB LEU 116 -0.706 19.106 -7.614 874 HB3 LEU 116 2HB LEU 116 -0.432 18.313 -6.080 875 HG LEU 116 HG LEU 116 2.057 18.085 -6.848 876 HD11 LEU 116 1HD1 LEU 116 1.203 20.282 -8.753 877 HD12 LEU 116 2HD1 LEU 116 1.809 18.686 -9.200 878 HD13 LEU 116 3HD1 LEU 116 2.870 19.829 -8.383 879 HD21 LEU 116 3HD2 LEU 116 1.352 19.570 -5.028 880 HD22 LEU 116 1HD2 LEU 116 0.932 20.828 -6.192 881 HD23 LEU 116 2HD2 LEU 116 2.613 20.326 -5.995 882 H GLU 117 H GLU 117 1.695 16.235 -9.086 883 HA GLU 117 HA GLU 117 0.929 17.236 -11.682 884 HB2 GLU 117 1HB GLU 117 3.294 17.227 -10.909 885 HB3 GLU 117 2HB GLU 117 3.273 15.466 -10.876 886 HG2 GLU 117 1HG GLU 117 3.003 15.368 -13.299 887 HG3 GLU 117 2HG GLU 117 2.839 17.121 -13.391 888 H ARG 118 H ARG 118 0.573 14.239 -9.962 889 HA ARG 118 HA ARG 118 -0.034 12.599 -12.275 890 HB2 ARG 118 1HB ARG 118 0.905 11.720 -10.082 891 HB3 ARG 118 2HB ARG 118 -0.656 12.037 -9.341 892 HG2 ARG 118 1HG ARG 118 -1.665 10.421 -11.024 893 HG3 ARG 118 2HG ARG 118 -0.021 10.024 -11.524 894 HD2 ARG 118 1HD ARG 118 0.400 9.472 -9.023 895 HD3 ARG 118 2HD ARG 118 -1.360 9.490 -8.860 896 HE ARG 118 HE ARG 118 -0.245 7.802 -10.968 897 HH11 ARG 118 1HH1 ARG 118 -1.561 7.872 -7.699 898 HH12 ARG 118 2HH1 ARG 118 -1.762 6.154 -7.629 899 HH21 ARG 118 1HH2 ARG 118 -0.456 5.573 -10.834 900 HH22 ARG 118 2HH2 ARG 118 -1.135 4.841 -9.413 901 H ILE 119 H ILE 119 -1.725 14.895 -10.421 902 HA ILE 119 HA ILE 119 -4.379 13.874 -10.734 903 HB ILE 119 HB ILE 119 -3.400 16.607 -9.771 904 HG12 ILE 119 1HG1 ILE 119 -2.733 14.793 -8.229 905 HG13 ILE 119 2HG1 ILE 119 -3.984 15.780 -7.490 906 HG21 ILE 119 1HG2 ILE 119 -6.214 15.444 -9.671 907 HG22 ILE 119 2HG2 ILE 119 -5.679 16.809 -10.652 908 HG23 ILE 119 3HG2 ILE 119 -5.699 16.946 -8.895 909 HD11 ILE 119 3HD1 ILE 119 -4.320 13.422 -7.033 910 HD12 ILE 119 1HD1 ILE 119 -4.398 13.066 -8.757 911 HD13 ILE 119 2HD1 ILE 119 -5.651 14.053 -7.998 912 H ILE 120 H ILE 120 -4.371 13.590 -12.946 913 HA ILE 120 HA ILE 120 -5.751 14.009 -14.702 914 HB ILE 120 HB ILE 120 -5.765 16.932 -13.823 915 HG12 ILE 120 1HG1 ILE 120 -7.884 14.760 -13.390 916 HG13 ILE 120 2HG1 ILE 120 -6.763 15.343 -12.158 917 HG21 ILE 120 1HG2 ILE 120 -7.751 17.227 -15.282 918 HG22 ILE 120 2HG2 ILE 120 -7.569 15.572 -15.865 919 HG23 ILE 120 3HG2 ILE 120 -6.326 16.770 -16.219 920 HD11 ILE 120 3HD1 ILE 120 -8.945 16.318 -11.854 921 HD12 ILE 120 1HD1 ILE 120 -8.940 16.947 -13.501 922 HD13 ILE 120 2HD1 ILE 120 -7.794 17.574 -12.310 923 H ARG 121 H ARG 121 -2.730 15.619 -14.251 924 HA ARG 121 HA ARG 121 -2.438 16.872 -16.780 925 HB2 ARG 121 1HB ARG 121 -0.252 15.883 -14.903 926 HB3 ARG 121 2HB ARG 121 -0.013 16.971 -16.270 927 HG2 ARG 121 1HG ARG 121 -1.583 18.599 -15.114 928 HG3 ARG 121 2HG ARG 121 -1.515 17.532 -13.701 929 HD2 ARG 121 1HD ARG 121 0.075 19.471 -13.583 930 HD3 ARG 121 2HD ARG 121 0.866 17.897 -13.465 931 HE ARG 121 HE ARG 121 1.204 18.288 -16.030 932 HH11 ARG 121 1HH1 ARG 121 1.460 20.796 -13.582 933 HH12 ARG 121 2HH1 ARG 121 2.689 21.665 -14.449 934 HH21 ARG 121 1HH2 ARG 121 2.782 19.428 -17.142 935 HH22 ARG 121 2HH2 ARG 121 3.438 20.887 -16.466 936 H HIS 122 H HIS 122 -2.624 15.729 -18.629 937 HA HIS 122 HA HIS 122 -1.564 13.079 -19.011 938 HB2 HIS 122 1HB HIS 122 -3.534 13.981 -20.312 939 HB3 HIS 122 2HB HIS 122 -2.444 15.091 -21.137 940 HD1 HIS 122 HD1 HIS 122 -0.847 14.062 -22.931 941 HD2 HIS 122 HD2 HIS 122 -3.395 11.291 -21.176 942 HE1 HIS 122 HE1 HIS 122 -0.664 12.003 -24.339 943 HE2 HIS 122 HE2 HIS 122 -2.053 10.284 -23.135 944 H GLU 123 H GLU 123 0.280 12.524 -20.208 945 HA GLU 123 HA GLU 123 2.440 14.516 -20.120 946 HB2 GLU 123 1HB GLU 123 2.720 12.432 -18.830 947 HB3 GLU 123 2HB GLU 123 2.508 11.477 -20.292 948 HG2 GLU 123 1HG GLU 123 4.600 12.326 -21.214 949 HG3 GLU 123 2HG GLU 123 4.795 13.428 -19.848 950 H GLY 124 H GLY 124 3.074 15.429 -21.960 951 HA2 GLY 124 1HA GLY 124 3.162 13.878 -24.489 952 HA3 GLY 124 2HA GLY 124 2.437 15.485 -24.457 953 H SER 125 H SER 125 5.029 15.020 -22.294 954 HA SER 125 HA SER 125 7.182 15.772 -24.096 955 HB2 SER 125 1HB SER 125 6.356 17.619 -21.795 956 HB3 SER 125 2HB SER 125 7.800 17.810 -22.792 957 HG SER 125 HG SER 125 6.095 17.799 -24.588 Start of MODEL 14 1 H1 GLN 1 1H GLN 1 -15.934 9.854 -8.584 2 H2 GLN 1 2H GLN 1 -15.016 11.103 -9.239 3 H3 GLN 1 3H GLN 1 -15.779 11.310 -7.750 4 HA GLN 1 HA GLN 1 -13.429 10.942 -7.490 5 HB2 GLN 1 1HB GLN 1 -15.371 8.840 -6.458 6 HB3 GLN 1 2HB GLN 1 -13.670 8.757 -6.020 7 HG2 GLN 1 1HG GLN 1 -14.912 9.851 -4.248 8 HG3 GLN 1 2HG GLN 1 -13.808 10.999 -4.993 9 HE21 GLN 1 2HE2 GLN 1 -14.950 12.786 -4.276 10 HE22 GLN 1 1HE2 GLN 1 -16.514 13.216 -4.878 11 H GLY 2 H GLY 2 -11.683 9.301 -7.488 12 HA2 GLY 2 1HA GLY 2 -11.747 7.143 -9.411 13 HA3 GLY 2 2HA GLY 2 -10.872 8.560 -9.980 14 H HIS 3 H HIS 3 -9.871 9.301 -7.347 15 HA HIS 3 HA HIS 3 -8.228 7.182 -6.312 16 HB2 HIS 3 1HB HIS 3 -6.039 8.083 -7.070 17 HB3 HIS 3 2HB HIS 3 -7.017 7.566 -8.437 18 HD1 HIS 3 HD1 HIS 3 -5.324 10.527 -6.996 19 HD2 HIS 3 HD2 HIS 3 -8.043 9.754 -10.046 20 HE1 HIS 3 HE1 HIS 3 -5.363 12.598 -8.409 21 HE2 HIS 3 HE2 HIS 3 -7.193 12.191 -10.078 22 H MET 4 H MET 4 -7.222 7.792 -4.379 23 HA MET 4 HA MET 4 -6.949 10.591 -3.629 24 HB2 MET 4 1HB MET 4 -9.321 10.092 -2.987 25 HB3 MET 4 2HB MET 4 -8.767 8.744 -2.001 26 HG2 MET 4 1HG MET 4 -7.486 10.380 -0.591 27 HG3 MET 4 2HG MET 4 -8.214 11.686 -1.528 28 HE1 MET 4 3HE MET 4 -10.566 8.825 1.247 29 HE2 MET 4 1HE MET 4 -8.814 8.793 1.058 30 HE3 MET 4 2HE MET 4 -9.855 8.271 -0.270 31 H PHE 5 H PHE 5 -4.745 10.246 -3.384 32 HA PHE 5 HA PHE 5 -3.830 8.205 -1.457 33 HB2 PHE 5 1HB PHE 5 -2.612 8.262 -3.596 34 HB3 PHE 5 2HB PHE 5 -2.233 9.968 -3.372 35 HD1 PHE 5 HD1 PHE 5 -1.820 6.686 -1.555 36 HD2 PHE 5 HD2 PHE 5 -0.089 10.472 -2.514 37 HE1 PHE 5 HE1 PHE 5 0.240 6.050 -0.378 38 HE2 PHE 5 HE2 PHE 5 1.964 9.826 -1.343 39 HZ PHE 5 HZ PHE 5 2.135 7.618 -0.272 40 H GLU 6 H GLU 6 -2.827 8.728 0.399 41 HA GLU 6 HA GLU 6 -2.171 11.432 1.212 42 HB2 GLU 6 1HB GLU 6 -3.695 11.415 3.173 43 HB3 GLU 6 2HB GLU 6 -4.621 11.287 1.680 44 HG2 GLU 6 1HG GLU 6 -4.689 8.781 2.049 45 HG3 GLU 6 2HG GLU 6 -3.989 9.065 3.638 46 HA PRO 7 HA PRO 7 0.839 9.006 3.528 47 HB2 PRO 7 1HB PRO 7 1.345 10.550 5.749 48 HB3 PRO 7 2HB PRO 7 1.941 10.953 4.133 49 HG2 PRO 7 1HG PRO 7 -0.466 12.038 5.591 50 HG3 PRO 7 2HG PRO 7 0.750 12.909 4.630 51 HD2 PRO 7 1HD PRO 7 -1.701 12.248 3.634 52 HD3 PRO 7 2HD PRO 7 -0.255 12.335 2.607 53 H GLY 8 H GLY 8 -0.536 7.253 3.934 54 HA2 GLY 8 1HA GLY 8 -0.813 5.938 6.094 55 HA3 GLY 8 2HA GLY 8 -2.005 7.155 6.509 56 H HIS 9 H HIS 9 -2.547 6.954 3.312 57 HA HIS 9 HA HIS 9 -4.058 4.514 3.124 58 HB2 HIS 9 1HB HIS 9 -5.485 5.629 4.747 59 HB3 HIS 9 2HB HIS 9 -5.511 7.103 3.795 60 HD1 HIS 9 HD1 HIS 9 -7.358 7.343 2.134 61 HD2 HIS 9 HD2 HIS 9 -7.029 3.460 3.577 62 HE1 HIS 9 HE1 HIS 9 -9.340 6.120 1.230 63 HE2 HIS 9 HE2 HIS 9 -9.269 3.885 2.365 64 H LEU 10 H LEU 10 -5.064 4.213 1.063 65 HA LEU 10 HA LEU 10 -5.005 6.350 -0.947 66 HB2 LEU 10 1HB LEU 10 -2.895 4.777 -0.992 67 HB3 LEU 10 2HB LEU 10 -3.983 3.545 -1.590 68 HG LEU 10 HG LEU 10 -3.443 6.190 -3.014 69 HD11 LEU 10 1HD1 LEU 10 -2.026 4.916 -4.576 70 HD12 LEU 10 2HD1 LEU 10 -2.252 3.459 -3.601 71 HD13 LEU 10 3HD1 LEU 10 -1.397 4.849 -2.931 72 HD21 LEU 10 3HD2 LEU 10 -5.610 5.240 -3.662 73 HD22 LEU 10 1HD2 LEU 10 -4.842 3.698 -4.045 74 HD23 LEU 10 2HD2 LEU 10 -4.466 5.138 -4.998 75 H HIS 11 H HIS 11 -6.936 6.304 -2.110 76 HA HIS 11 HA HIS 11 -8.666 3.890 -1.949 77 HB2 HIS 11 1HB HIS 11 -9.544 6.020 -0.839 78 HB3 HIS 11 2HB HIS 11 -9.601 6.757 -2.435 79 HD1 HIS 11 HD1 HIS 11 -12.231 6.966 -1.657 80 HD2 HIS 11 HD2 HIS 11 -10.905 3.148 -2.613 81 HE1 HIS 11 HE1 HIS 11 -14.294 5.583 -1.940 82 HE2 HIS 11 HE2 HIS 11 -13.453 3.235 -2.231 83 H LEU 12 H LEU 12 -9.282 2.945 -3.820 84 HA LEU 12 HA LEU 12 -8.616 4.204 -6.431 85 HB2 LEU 12 1HB LEU 12 -8.930 1.255 -5.675 86 HB3 LEU 12 2HB LEU 12 -8.638 1.843 -7.305 87 HG LEU 12 HG LEU 12 -6.684 2.172 -4.987 88 HD11 LEU 12 1HD1 LEU 12 -6.609 0.192 -7.290 89 HD12 LEU 12 2HD1 LEU 12 -6.892 -0.194 -5.590 90 HD13 LEU 12 3HD1 LEU 12 -5.326 0.435 -6.100 91 HD21 LEU 12 3HD2 LEU 12 -6.436 3.953 -6.667 92 HD22 LEU 12 1HD2 LEU 12 -6.330 2.749 -7.956 93 HD23 LEU 12 2HD2 LEU 12 -5.067 2.849 -6.729 94 H VAL 13 H VAL 13 -10.387 4.732 -7.688 95 HA VAL 13 HA VAL 13 -12.940 3.255 -7.311 96 HB VAL 13 HB VAL 13 -12.745 6.288 -7.620 97 HG11 VAL 13 1HG1 VAL 13 -15.232 4.564 -7.293 98 HG12 VAL 13 2HG1 VAL 13 -14.744 5.423 -8.754 99 HG13 VAL 13 3HG1 VAL 13 -15.209 6.332 -7.316 100 HG21 VAL 13 3HG2 VAL 13 -13.692 6.468 -5.342 101 HG22 VAL 13 1HG2 VAL 13 -12.128 5.650 -5.337 102 HG23 VAL 13 2HG2 VAL 13 -13.613 4.713 -5.174 103 H SER 14 H SER 14 -12.106 2.187 -9.290 104 HA SER 14 HA SER 14 -12.885 3.611 -11.731 105 HB2 SER 14 1HB SER 14 -11.184 1.696 -11.734 106 HB3 SER 14 2HB SER 14 -12.532 0.596 -11.493 107 HG SER 14 HG SER 14 -12.668 2.461 -13.582 108 H LEU 15 H LEU 15 -14.921 4.227 -11.677 109 HA LEU 15 HA LEU 15 -17.108 2.715 -10.551 110 HB2 LEU 15 1HB LEU 15 -18.511 4.615 -11.142 111 HB3 LEU 15 2HB LEU 15 -17.063 5.175 -10.336 112 HG LEU 15 HG LEU 15 -17.248 5.266 -13.371 113 HD11 LEU 15 1HD1 LEU 15 -18.272 7.420 -11.494 114 HD12 LEU 15 2HD1 LEU 15 -19.252 6.425 -12.574 115 HD13 LEU 15 3HD1 LEU 15 -18.094 7.571 -13.245 116 HD21 LEU 15 3HD2 LEU 15 -15.028 5.675 -12.390 117 HD22 LEU 15 1HD2 LEU 15 -15.693 6.966 -11.385 118 HD23 LEU 15 2HD2 LEU 15 -15.660 7.136 -13.141 119 HA PRO 16 HA PRO 16 -18.427 0.545 -14.183 120 HB2 PRO 16 1HB PRO 16 -21.191 0.684 -14.058 121 HB3 PRO 16 2HB PRO 16 -20.197 -0.392 -13.062 122 HG2 PRO 16 1HG PRO 16 -21.350 2.304 -12.364 123 HG3 PRO 16 2HG PRO 16 -21.322 0.814 -11.390 124 HD2 PRO 16 1HD PRO 16 -19.545 2.799 -10.960 125 HD3 PRO 16 2HD PRO 16 -19.065 1.094 -10.805 126 H GLY 17 H GLY 17 -20.234 3.628 -13.811 127 HA2 GLY 17 1HA GLY 17 -20.729 5.323 -15.279 128 HA3 GLY 17 2HA GLY 17 -19.309 4.820 -16.183 129 H LEU 18 H LEU 18 -19.552 3.279 -17.879 130 HA LEU 18 HA LEU 18 -22.236 3.050 -19.101 131 HB2 LEU 18 1HB LEU 18 -19.464 2.487 -20.245 132 HB3 LEU 18 2HB LEU 18 -20.969 2.343 -21.138 133 HG LEU 18 HG LEU 18 -19.766 4.931 -20.069 134 HD11 LEU 18 1HD1 LEU 18 -20.091 3.939 -22.921 135 HD12 LEU 18 2HD1 LEU 18 -18.574 4.081 -22.029 136 HD13 LEU 18 3HD1 LEU 18 -19.488 5.529 -22.441 137 HD21 LEU 18 3HD2 LEU 18 -22.347 4.523 -21.627 138 HD22 LEU 18 1HD2 LEU 18 -21.615 6.084 -21.241 139 HD23 LEU 18 2HD2 LEU 18 -22.213 5.051 -19.947 140 H ASP 19 H ASP 19 -21.685 1.491 -16.800 141 HA ASP 19 HA ASP 19 -22.039 -0.536 -15.938 142 HB2 ASP 19 1HB ASP 19 -22.898 -1.337 -18.750 143 HB3 ASP 19 2HB ASP 19 -23.193 -2.293 -17.301 144 H GLN 20 H GLN 20 -19.471 -0.037 -16.278 145 HA GLN 20 HA GLN 20 -18.023 -2.395 -17.149 146 HB2 GLN 20 1HB GLN 20 -17.249 -0.184 -15.177 147 HB3 GLN 20 2HB GLN 20 -16.150 -1.403 -15.803 148 HG2 GLN 20 1HG GLN 20 -16.308 -0.470 -18.037 149 HG3 GLN 20 2HG GLN 20 -17.539 0.680 -17.507 150 HE21 GLN 20 2HE2 GLN 20 -16.270 2.459 -18.109 151 HE22 GLN 20 1HE2 GLN 20 -14.873 2.946 -17.228 152 H GLN 21 H GLN 21 -16.482 -2.862 -14.736 153 HA GLN 21 HA GLN 21 -18.420 -4.058 -12.859 154 HB2 GLN 21 1HB GLN 21 -16.716 -5.594 -13.762 155 HB3 GLN 21 2HB GLN 21 -15.433 -4.490 -13.292 156 HG2 GLN 21 1HG GLN 21 -15.893 -4.910 -10.929 157 HG3 GLN 21 2HG GLN 21 -17.256 -5.950 -11.354 158 HE21 GLN 21 2HE2 GLN 21 -14.813 -6.575 -9.852 159 HE22 GLN 21 1HE2 GLN 21 -14.054 -7.883 -10.675 160 H ASP 22 H ASP 22 -18.341 -3.363 -10.710 161 HA ASP 22 HA ASP 22 -17.227 -0.668 -10.338 162 HB2 ASP 22 1HB ASP 22 -19.617 -1.085 -9.768 163 HB3 ASP 22 2HB ASP 22 -19.123 -2.263 -8.559 164 H ILE 23 H ILE 23 -15.191 -0.658 -9.625 165 HA ILE 23 HA ILE 23 -14.472 -2.402 -7.333 166 HB ILE 23 HB ILE 23 -12.178 -2.365 -7.894 167 HG12 ILE 23 1HG1 ILE 23 -11.429 -0.861 -10.025 168 HG13 ILE 23 2HG1 ILE 23 -12.760 0.143 -9.481 169 HG21 ILE 23 1HG2 ILE 23 -13.441 -3.792 -9.414 170 HG22 ILE 23 2HG2 ILE 23 -12.035 -3.134 -10.246 171 HG23 ILE 23 3HG2 ILE 23 -13.641 -2.464 -10.559 172 HD11 ILE 23 3HD1 ILE 23 -10.307 -0.595 -7.882 173 HD12 ILE 23 1HD1 ILE 23 -11.641 0.406 -7.302 174 HD13 ILE 23 2HD1 ILE 23 -10.643 0.962 -8.644 175 H ASN 24 H ASN 24 -14.064 -1.478 -5.486 176 HA ASN 24 HA ASN 24 -12.840 1.130 -5.335 177 HB2 ASN 24 1HB ASN 24 -14.320 2.117 -3.631 178 HB3 ASN 24 2HB ASN 24 -15.173 1.852 -5.137 179 HD21 ASN 24 2HD2 ASN 24 -15.779 -0.947 -4.722 180 HD22 ASN 24 1HD2 ASN 24 -16.906 -1.036 -3.423 181 H ILE 25 H ILE 25 -11.364 1.224 -3.691 182 HA ILE 25 HA ILE 25 -10.967 -1.231 -2.111 183 HB ILE 25 HB ILE 25 -8.905 -0.144 -4.109 184 HG12 ILE 25 1HG1 ILE 25 -10.391 -2.819 -4.272 185 HG13 ILE 25 2HG1 ILE 25 -10.840 -1.395 -5.201 186 HG21 ILE 25 1HG2 ILE 25 -7.830 -1.098 -2.099 187 HG22 ILE 25 2HG2 ILE 25 -7.540 -2.135 -3.494 188 HG23 ILE 25 3HG2 ILE 25 -8.748 -2.594 -2.296 189 HD11 ILE 25 3HD1 ILE 25 -9.583 -2.962 -6.534 190 HD12 ILE 25 1HD1 ILE 25 -8.233 -2.889 -5.403 191 HD13 ILE 25 2HD1 ILE 25 -8.679 -1.459 -6.342 192 H HIS 26 H HIS 26 -10.203 -0.682 -0.154 193 HA HIS 26 HA HIS 26 -8.947 1.935 0.349 194 HB2 HIS 26 1HB HIS 26 -9.403 -0.162 2.510 195 HB3 HIS 26 2HB HIS 26 -9.353 1.589 2.665 196 HD1 HIS 26 HD1 HIS 26 -11.615 -0.653 3.513 197 HD2 HIS 26 HD2 HIS 26 -11.849 2.287 0.620 198 HE1 HIS 26 HE1 HIS 26 -14.056 -0.222 3.207 199 HE2 HIS 26 HE2 HIS 26 -14.176 1.422 1.315 200 H ILE 27 H ILE 27 -6.742 2.046 0.555 201 HA ILE 27 HA ILE 27 -5.201 -0.420 1.154 202 HB ILE 27 HB ILE 27 -4.222 1.986 -0.483 203 HG12 ILE 27 1HG1 ILE 27 -4.878 -0.850 -1.437 204 HG13 ILE 27 2HG1 ILE 27 -5.800 0.599 -1.817 205 HG21 ILE 27 1HG2 ILE 27 -2.157 0.654 -0.857 206 HG22 ILE 27 2HG2 ILE 27 -2.787 -0.622 0.187 207 HG23 ILE 27 3HG2 ILE 27 -2.421 0.968 0.861 208 HD11 ILE 27 3HD1 ILE 27 -3.871 1.466 -3.091 209 HD12 ILE 27 1HD1 ILE 27 -4.447 -0.087 -3.700 210 HD13 ILE 27 2HD1 ILE 27 -2.984 -0.019 -2.722 211 H ARG 28 H ARG 28 -4.975 -0.168 3.268 212 HA ARG 28 HA ARG 28 -4.380 2.391 4.558 213 HB2 ARG 28 1HB ARG 28 -4.625 -0.358 5.867 214 HB3 ARG 28 2HB ARG 28 -4.740 1.210 6.653 215 HG2 ARG 28 1HG ARG 28 -6.897 1.636 5.527 216 HG3 ARG 28 2HG ARG 28 -6.774 0.086 4.691 217 HD2 ARG 28 1HD ARG 28 -6.748 -1.045 6.950 218 HD3 ARG 28 2HD ARG 28 -7.062 0.532 7.683 219 HE ARG 28 HE ARG 28 -8.952 -0.374 5.653 220 HH11 ARG 28 1HH1 ARG 28 -8.314 0.004 9.086 221 HH12 ARG 28 2HH1 ARG 28 -9.949 -0.352 9.546 222 HH21 ARG 28 1HH2 ARG 28 -11.082 -0.836 6.284 223 HH22 ARG 28 2HH2 ARG 28 -11.508 -0.825 7.970 224 H TYR 29 H TYR 29 -2.311 2.873 5.331 225 HA TYR 29 HA TYR 29 -0.445 0.710 5.833 226 HB2 TYR 29 1HB TYR 29 1.346 1.480 4.452 227 HB3 TYR 29 2HB TYR 29 -0.067 1.327 3.434 228 HD1 TYR 29 HD2 TYR 29 -1.162 3.391 2.496 229 HD2 TYR 29 HD1 TYR 29 2.453 3.628 4.771 230 HE1 TYR 29 HE2 TYR 29 -0.747 5.654 1.627 231 HE2 TYR 29 HE1 TYR 29 2.862 5.879 3.898 232 HH TYR 29 HH TYR 29 2.234 7.270 1.987 233 H GLU 30 H GLU 30 0.944 1.077 7.431 234 HA GLU 30 HA GLU 30 1.207 3.785 8.610 235 HB2 GLU 30 1HB GLU 30 0.576 1.217 10.145 236 HB3 GLU 30 2HB GLU 30 1.056 2.734 10.902 237 HG2 GLU 30 1HG GLU 30 -0.968 3.822 10.016 238 HG3 GLU 30 2HG GLU 30 -1.454 2.309 9.253 239 H VAL 31 H VAL 31 3.274 4.272 9.065 240 HA VAL 31 HA VAL 31 5.388 2.337 8.636 241 HB VAL 31 HB VAL 31 5.579 5.256 9.534 242 HG11 VAL 31 1HG1 VAL 31 7.629 4.006 10.072 243 HG12 VAL 31 2HG1 VAL 31 7.933 5.125 8.743 244 HG13 VAL 31 3HG1 VAL 31 7.723 3.405 8.413 245 HG21 VAL 31 3HG2 VAL 31 6.102 5.747 7.148 246 HG22 VAL 31 1HG2 VAL 31 4.465 5.116 7.357 247 HG23 VAL 31 2HG2 VAL 31 5.744 4.069 6.735 248 H ARG 32 H ARG 32 6.048 1.060 10.188 249 HA ARG 32 HA ARG 32 6.043 1.844 13.043 250 HB2 ARG 32 1HB ARG 32 4.049 0.383 12.477 251 HB3 ARG 32 2HB ARG 32 5.160 -0.852 11.902 252 HG2 ARG 32 1HG ARG 32 6.138 -0.731 14.349 253 HG3 ARG 32 2HG ARG 32 4.592 0.030 14.736 254 HD2 ARG 32 1HD ARG 32 3.412 -1.943 13.832 255 HD3 ARG 32 2HD ARG 32 4.975 -2.673 13.431 256 HE ARG 32 HE ARG 32 4.602 -1.992 16.227 257 HH11 ARG 32 1HH1 ARG 32 4.325 -4.538 13.802 258 HH12 ARG 32 2HH1 ARG 32 4.281 -5.805 14.984 259 HH21 ARG 32 1HH2 ARG 32 4.557 -3.680 17.737 260 HH22 ARG 32 2HH2 ARG 32 4.418 -5.323 17.203 261 H GLN 33 H GLN 33 7.583 0.316 14.294 262 HA GLN 33 HA GLN 33 9.895 -0.366 12.586 263 HB2 GLN 33 1HB GLN 33 9.908 0.107 15.586 264 HB3 GLN 33 2HB GLN 33 11.311 -0.059 14.544 265 HG2 GLN 33 1HG GLN 33 9.333 2.239 14.523 266 HG3 GLN 33 2HG GLN 33 10.949 2.274 15.218 267 HE21 GLN 33 2HE2 GLN 33 9.085 2.431 12.309 268 HE22 GLN 33 1HE2 GLN 33 10.380 2.861 11.253 269 H ASN 34 H ASN 34 10.417 -2.433 12.301 270 HA ASN 34 HA ASN 34 9.572 -4.543 14.169 271 HB2 ASN 34 1HB ASN 34 9.984 -6.127 12.359 272 HB3 ASN 34 2HB ASN 34 9.005 -4.816 11.709 273 HD21 ASN 34 2HD2 ASN 34 10.307 -3.066 10.568 274 HD22 ASN 34 1HD2 ASN 34 11.637 -3.586 9.603 275 H ALA 35 H ALA 35 11.188 -5.939 15.056 276 HA ALA 35 HA ALA 35 13.680 -4.682 15.689 277 HB1 ALA 35 3HB ALA 35 14.085 -6.642 17.095 278 HB2 ALA 35 1HB ALA 35 12.751 -7.499 16.317 279 HB3 ALA 35 2HB ALA 35 12.427 -6.069 17.299 280 H GLU 36 H GLU 36 12.791 -6.618 13.037 281 HA GLU 36 HA GLU 36 15.209 -8.126 12.693 282 HB2 GLU 36 1HB GLU 36 13.096 -9.033 11.903 283 HB3 GLU 36 2HB GLU 36 12.828 -7.634 10.879 284 HG2 GLU 36 1HG GLU 36 13.463 -9.503 9.514 285 HG3 GLU 36 2HG GLU 36 14.753 -8.304 9.474 286 H SER 37 H SER 37 13.781 -5.354 10.987 287 HA SER 37 HA SER 37 16.307 -4.913 9.491 288 HB2 SER 37 1HB SER 37 14.433 -5.612 8.050 289 HB3 SER 37 2HB SER 37 13.419 -4.321 8.693 290 HG SER 37 HG SER 37 15.588 -4.193 6.915 291 H GLY 38 H GLY 38 14.068 -3.544 11.712 292 HA2 GLY 38 1HA GLY 38 14.404 -1.440 12.814 293 HA3 GLY 38 2HA GLY 38 15.129 -0.800 11.340 294 H ALA 39 H ALA 39 13.814 0.561 10.280 295 HA ALA 39 HA ALA 39 11.034 0.856 10.714 296 HB1 ALA 39 3HB ALA 39 12.439 2.657 9.781 297 HB2 ALA 39 1HB ALA 39 11.022 2.357 8.776 298 HB3 ALA 39 2HB ALA 39 12.605 1.763 8.270 299 H TYR 40 H TYR 40 9.225 0.210 9.567 300 HA TYR 40 HA TYR 40 9.367 -0.964 6.941 301 HB2 TYR 40 1HB TYR 40 8.524 -3.120 7.305 302 HB3 TYR 40 2HB TYR 40 9.646 -2.948 8.637 303 HD1 TYR 40 HD1 TYR 40 8.574 -2.245 10.961 304 HD2 TYR 40 HD2 TYR 40 6.316 -3.896 7.716 305 HE1 TYR 40 HE1 TYR 40 6.836 -2.982 12.526 306 HE2 TYR 40 HE2 TYR 40 4.590 -4.608 9.284 307 HH TYR 40 HH TYR 40 4.417 -5.183 11.677 308 H VAL 41 H VAL 41 7.013 -1.507 6.188 309 HA VAL 41 HA VAL 41 5.064 0.280 7.538 310 HB VAL 41 HB VAL 41 5.089 -0.200 4.524 311 HG11 VAL 41 1HG1 VAL 41 3.674 1.882 6.229 312 HG12 VAL 41 2HG1 VAL 41 2.929 0.467 5.484 313 HG13 VAL 41 3HG1 VAL 41 3.580 1.753 4.469 314 HG21 VAL 41 3HG2 VAL 41 6.256 2.217 5.959 315 HG22 VAL 41 1HG2 VAL 41 6.054 2.050 4.212 316 HG23 VAL 41 2HG2 VAL 41 7.174 0.998 5.076 317 H HIS 42 H HIS 42 3.376 -0.817 8.264 318 HA HIS 42 HA HIS 42 2.668 -3.495 7.330 319 HB2 HIS 42 1HB HIS 42 2.636 -2.949 9.773 320 HB3 HIS 42 2HB HIS 42 1.425 -1.708 9.489 321 HD1 HIS 42 HD1 HIS 42 1.677 -5.087 10.612 322 HD2 HIS 42 HD2 HIS 42 -1.083 -3.007 8.322 323 HE1 HIS 42 HE1 HIS 42 -0.424 -6.450 10.680 324 HE2 HIS 42 HE2 HIS 42 -2.042 -5.226 9.189 325 H PHE 43 H PHE 43 1.209 -3.759 5.667 326 HA PHE 43 HA PHE 43 -0.608 -1.549 4.938 327 HB2 PHE 43 1HB PHE 43 0.225 -3.953 3.240 328 HB3 PHE 43 2HB PHE 43 -0.628 -2.512 2.696 329 HD1 PHE 43 HD1 PHE 43 0.598 -0.305 2.586 330 HD2 PHE 43 HD2 PHE 43 2.637 -3.985 3.381 331 HE1 PHE 43 HE1 PHE 43 2.746 0.734 1.985 332 HE2 PHE 43 HE2 PHE 43 4.769 -2.928 2.796 333 HZ PHE 43 HZ PHE 43 4.833 -0.575 2.093 334 H ASP 44 H ASP 44 -2.793 -1.892 4.975 335 HA ASP 44 HA ASP 44 -3.911 -4.638 5.140 336 HB2 ASP 44 1HB ASP 44 -4.979 -2.160 6.593 337 HB3 ASP 44 2HB ASP 44 -5.771 -3.729 6.561 338 H MET 45 H MET 45 -5.131 -4.956 3.307 339 HA MET 45 HA MET 45 -6.437 -2.632 2.007 340 HB2 MET 45 1HB MET 45 -5.382 -5.213 0.766 341 HB3 MET 45 2HB MET 45 -6.351 -4.031 -0.104 342 HG2 MET 45 1HG MET 45 -4.572 -2.333 0.290 343 HG3 MET 45 2HG MET 45 -3.594 -3.582 1.059 344 HE1 MET 45 3HE MET 45 -4.818 -3.783 -3.399 345 HE2 MET 45 1HE MET 45 -5.311 -2.465 -2.336 346 HE3 MET 45 2HE MET 45 -5.944 -4.090 -2.080 347 H ASP 46 H ASP 46 -8.588 -2.690 1.782 348 HA ASP 46 HA ASP 46 -10.170 -5.124 1.904 349 HB2 ASP 46 1HB ASP 46 -11.417 -4.560 3.932 350 HB3 ASP 46 2HB ASP 46 -9.707 -4.623 4.337 351 H GLY 47 H GLY 47 -12.471 -4.642 1.524 352 HA2 GLY 47 1HA GLY 47 -13.799 -2.285 1.173 353 HA3 GLY 47 2HA GLY 47 -12.887 -2.437 -0.332 354 H GLU 48 H GLU 48 -14.861 -2.724 -1.568 355 HA GLU 48 HA GLU 48 -15.628 -5.528 -1.606 356 HB2 GLU 48 1HB GLU 48 -18.052 -5.040 -1.779 357 HB3 GLU 48 2HB GLU 48 -17.400 -4.701 -0.186 358 HG2 GLU 48 1HG GLU 48 -17.944 -2.567 -2.275 359 HG3 GLU 48 2HG GLU 48 -19.099 -3.041 -1.035 360 H ILE 49 H ILE 49 -14.809 -5.819 -3.510 361 HA ILE 49 HA ILE 49 -15.618 -4.260 -5.849 362 HB ILE 49 HB ILE 49 -13.873 -6.756 -5.727 363 HG12 ILE 49 1HG1 ILE 49 -13.072 -3.806 -5.973 364 HG13 ILE 49 2HG1 ILE 49 -12.913 -4.775 -4.514 365 HG21 ILE 49 1HG2 ILE 49 -14.908 -6.467 -7.953 366 HG22 ILE 49 2HG2 ILE 49 -13.180 -6.146 -8.021 367 HG23 ILE 49 3HG2 ILE 49 -14.323 -4.802 -8.025 368 HD11 ILE 49 3HD1 ILE 49 -10.790 -4.530 -5.621 369 HD12 ILE 49 1HD1 ILE 49 -11.441 -5.213 -7.109 370 HD13 ILE 49 2HD1 ILE 49 -11.294 -6.217 -5.664 371 H ASP 50 H ASP 50 -17.239 -4.649 -7.157 372 HA ASP 50 HA ASP 50 -19.135 -5.460 -8.052 373 HB2 ASP 50 1HB ASP 50 -17.522 -7.169 -9.014 374 HB3 ASP 50 2HB ASP 50 -17.906 -8.234 -7.668 375 H GLY 51 H GLY 51 -18.801 -5.103 -5.145 376 HA2 GLY 51 1HA GLY 51 -20.298 -5.074 -3.388 377 HA3 GLY 51 2HA GLY 51 -21.284 -6.275 -4.207 378 H LYS 52 H LYS 52 -18.084 -7.366 -4.210 379 HA LYS 52 HA LYS 52 -18.624 -9.270 -2.092 380 HB2 LYS 52 1HB LYS 52 -16.307 -9.154 -4.047 381 HB3 LYS 52 2HB LYS 52 -16.762 -10.533 -3.043 382 HG2 LYS 52 1HG LYS 52 -18.836 -10.822 -4.328 383 HG3 LYS 52 2HG LYS 52 -18.460 -9.385 -5.288 384 HD2 LYS 52 1HD LYS 52 -16.366 -10.553 -6.095 385 HD3 LYS 52 2HD LYS 52 -16.901 -12.004 -5.243 386 HE2 LYS 52 1HE LYS 52 -18.388 -10.628 -7.509 387 HE3 LYS 52 2HE LYS 52 -17.438 -12.108 -7.649 388 HZ1 LYS 52 3HZ LYS 52 -18.976 -13.198 -6.144 389 HZ2 LYS 52 1HZ LYS 52 -19.795 -12.569 -7.481 390 HZ3 LYS 52 2HZ LYS 52 -19.881 -11.781 -5.991 391 HA PRO 53 HA PRO 53 -15.901 -6.669 0.499 392 HB2 PRO 53 1HB PRO 53 -16.550 -7.758 2.922 393 HB3 PRO 53 2HB PRO 53 -17.591 -6.596 2.088 394 HG2 PRO 53 1HG PRO 53 -17.816 -9.598 2.206 395 HG3 PRO 53 2HG PRO 53 -19.095 -8.369 2.353 396 HD2 PRO 53 1HD PRO 53 -18.595 -9.739 0.022 397 HD3 PRO 53 2HD PRO 53 -19.268 -8.098 0.053 398 H PHE 54 H PHE 54 -13.789 -7.019 0.895 399 HA PHE 54 HA PHE 54 -12.759 -9.780 1.165 400 HB2 PHE 54 1HB PHE 54 -11.080 -9.453 -0.565 401 HB3 PHE 54 2HB PHE 54 -12.653 -9.115 -1.263 402 HD1 PHE 54 HD1 PHE 54 -13.301 -6.730 -1.795 403 HD2 PHE 54 HD2 PHE 54 -9.361 -7.734 -0.449 404 HE1 PHE 54 HE1 PHE 54 -12.457 -4.565 -2.604 405 HE2 PHE 54 HE2 PHE 54 -8.533 -5.566 -1.260 406 HZ PHE 54 HZ PHE 54 -10.081 -3.979 -2.338 407 H SER 55 H SER 55 -10.793 -9.953 2.275 408 HA SER 55 HA SER 55 -9.469 -7.492 3.207 409 HB2 SER 55 1HB SER 55 -9.271 -8.456 5.508 410 HB3 SER 55 2HB SER 55 -10.942 -8.134 5.053 411 HG SER 55 HG SER 55 -11.245 -10.314 4.697 412 H ASP 56 H ASP 56 -7.411 -7.578 2.804 413 HA ASP 56 HA ASP 56 -5.811 -10.016 3.144 414 HB2 ASP 56 1HB ASP 56 -6.319 -9.796 0.680 415 HB3 ASP 56 2HB ASP 56 -5.619 -8.184 0.697 416 H SER 57 H SER 57 -3.650 -9.492 3.824 417 HA SER 57 HA SER 57 -2.893 -6.694 4.163 418 HB2 SER 57 1HB SER 57 -2.483 -6.986 6.635 419 HB3 SER 57 2HB SER 57 -4.187 -7.041 6.204 420 HG SER 57 HG SER 57 -3.969 -9.366 6.231 421 H PHE 58 H PHE 58 -0.706 -6.407 4.264 422 HA PHE 58 HA PHE 58 1.111 -8.684 4.483 423 HB2 PHE 58 1HB PHE 58 2.230 -8.114 2.304 424 HB3 PHE 58 2HB PHE 58 0.613 -8.767 2.117 425 HD1 PHE 58 HD2 PHE 58 -1.312 -7.160 1.572 426 HD2 PHE 58 HD1 PHE 58 2.793 -5.971 1.356 427 HE1 PHE 58 HE2 PHE 58 -1.927 -5.277 0.118 428 HE2 PHE 58 HE1 PHE 58 2.167 -4.092 -0.102 429 HZ PHE 58 HZ PHE 58 -0.190 -3.741 -0.722 430 H GLU 59 H GLU 59 3.293 -8.063 4.826 431 HA GLU 59 HA GLU 59 3.724 -5.243 5.659 432 HB2 GLU 59 1HB GLU 59 4.587 -7.764 7.145 433 HB3 GLU 59 2HB GLU 59 5.076 -6.124 7.578 434 HG2 GLU 59 1HG GLU 59 2.787 -5.528 8.124 435 HG3 GLU 59 2HG GLU 59 2.209 -7.080 7.540 436 H LEU 60 H LEU 60 5.579 -4.387 4.952 437 HA LEU 60 HA LEU 60 7.656 -6.123 3.765 438 HB2 LEU 60 1HB LEU 60 6.497 -3.561 2.606 439 HB3 LEU 60 2HB LEU 60 7.950 -4.342 2.001 440 HG LEU 60 HG LEU 60 5.186 -5.635 1.992 441 HD11 LEU 60 1HD1 LEU 60 5.202 -3.728 0.463 442 HD12 LEU 60 2HD1 LEU 60 5.175 -5.240 -0.442 443 HD13 LEU 60 3HD1 LEU 60 6.678 -4.323 -0.305 444 HD21 LEU 60 3HD2 LEU 60 7.781 -6.528 0.677 445 HD22 LEU 60 1HD2 LEU 60 6.209 -7.323 0.522 446 HD23 LEU 60 2HD2 LEU 60 7.021 -7.277 2.086 447 HA PRO 61 HA PRO 61 10.234 -3.648 6.601 448 HB2 PRO 61 1HB PRO 61 12.668 -4.529 5.582 449 HB3 PRO 61 2HB PRO 61 11.710 -5.414 6.777 450 HG2 PRO 61 1HG PRO 61 11.793 -5.789 3.787 451 HG3 PRO 61 2HG PRO 61 11.868 -7.018 5.072 452 HD2 PRO 61 1HD PRO 61 9.574 -6.554 3.770 453 HD3 PRO 61 2HD PRO 61 9.560 -6.853 5.526 454 H ARG 62 H ARG 62 11.539 -1.771 6.374 455 HA ARG 62 HA ARG 62 11.148 0.069 4.444 456 HB2 ARG 62 1HB ARG 62 13.253 1.180 5.190 457 HB3 ARG 62 2HB ARG 62 12.258 0.607 6.524 458 HG2 ARG 62 1HG ARG 62 13.724 -1.340 6.825 459 HG3 ARG 62 2HG ARG 62 14.711 -0.831 5.451 460 HD2 ARG 62 1HD ARG 62 15.311 1.239 6.663 461 HD3 ARG 62 2HD ARG 62 14.327 0.717 8.033 462 HE ARG 62 HE ARG 62 15.918 -1.310 8.008 463 HH11 ARG 62 1HH1 ARG 62 16.950 1.945 7.175 464 HH12 ARG 62 2HH1 ARG 62 18.547 1.726 7.814 465 HH21 ARG 62 1HH2 ARG 62 17.994 -1.551 8.885 466 HH22 ARG 62 2HH2 ARG 62 19.131 -0.241 8.793 467 H ASP 63 H ASP 63 13.302 -2.628 4.073 468 HA ASP 63 HA ASP 63 14.952 -1.591 1.972 469 HB2 ASP 63 1HB ASP 63 15.694 -3.383 3.530 470 HB3 ASP 63 2HB ASP 63 14.459 -4.458 2.894 471 H THR 64 H THR 64 11.817 -3.119 2.086 472 HA THR 64 HA THR 64 11.665 -3.428 -0.844 473 HB THR 64 HB THR 64 10.379 -5.575 -0.519 474 HG1 THR 64 HG1 THR 64 10.385 -6.545 1.507 475 HG21 THR 64 3HG2 THR 64 12.785 -5.722 -1.090 476 HG22 THR 64 1HG2 THR 64 12.309 -7.040 -0.018 477 HG23 THR 64 2HG2 THR 64 13.204 -5.661 0.624 478 H ALA 65 H ALA 65 10.502 -1.852 1.731 479 HA ALA 65 HA ALA 65 7.701 -2.003 1.683 480 HB1 ALA 65 3HB ALA 65 8.962 -0.835 3.456 481 HB2 ALA 65 1HB ALA 65 7.700 0.198 2.777 482 HB3 ALA 65 2HB ALA 65 9.388 0.445 2.318 483 H PHE 66 H PHE 66 9.908 -0.216 -0.292 484 HA PHE 66 HA PHE 66 8.083 1.360 -1.769 485 HB2 PHE 66 1HB PHE 66 10.880 0.441 -2.550 486 HB3 PHE 66 2HB PHE 66 9.996 1.786 -3.270 487 HD1 PHE 66 HD2 PHE 66 9.257 3.707 -1.694 488 HD2 PHE 66 HD1 PHE 66 12.255 0.841 -0.635 489 HE1 PHE 66 HE2 PHE 66 10.083 5.210 0.056 490 HE2 PHE 66 HE1 PHE 66 13.066 2.358 1.125 491 HZ PHE 66 HZ PHE 66 11.981 4.538 1.472 492 H ASN 67 H ASN 67 8.462 -1.973 -1.886 493 HA ASN 67 HA ASN 67 7.834 -2.310 -4.732 494 HB2 ASN 67 1HB ASN 67 8.260 -4.392 -2.541 495 HB3 ASN 67 2HB ASN 67 7.989 -4.757 -4.242 496 HD21 ASN 67 2HD2 ASN 67 9.923 -5.823 -4.528 497 HD22 ASN 67 1HD2 ASN 67 11.467 -5.047 -4.457 498 H PHE 68 H PHE 68 6.200 -1.524 -2.009 499 HA PHE 68 HA PHE 68 4.030 -3.144 -1.678 500 HB2 PHE 68 1HB PHE 68 2.930 -1.345 -0.560 501 HB3 PHE 68 2HB PHE 68 4.648 -1.109 -0.295 502 HD1 PHE 68 HD1 PHE 68 5.843 0.542 -2.057 503 HD2 PHE 68 HD2 PHE 68 1.649 0.528 -1.196 504 HE1 PHE 68 HE1 PHE 68 5.648 2.826 -2.950 505 HE2 PHE 68 HE2 PHE 68 1.468 2.807 -2.088 506 HZ PHE 68 HZ PHE 68 3.462 3.952 -2.965 507 H ALA 69 H ALA 69 4.298 -0.476 -4.074 508 HA ALA 69 HA ALA 69 1.705 -0.404 -4.987 509 HB1 ALA 69 3HB ALA 69 2.626 0.740 -6.954 510 HB2 ALA 69 1HB ALA 69 4.246 0.159 -6.550 511 HB3 ALA 69 2HB ALA 69 3.419 1.290 -5.476 512 H SER 70 H SER 70 4.229 -2.732 -5.796 513 HA SER 70 HA SER 70 2.963 -3.787 -8.143 514 HB2 SER 70 1HB SER 70 5.403 -3.967 -7.817 515 HB3 SER 70 2HB SER 70 5.160 -4.914 -6.350 516 HG SER 70 HG SER 70 4.729 -6.633 -7.511 517 H ASP 71 H ASP 71 3.299 -4.874 -4.734 518 HA ASP 71 HA ASP 71 1.724 -7.219 -5.057 519 HB2 ASP 71 1HB ASP 71 3.493 -6.834 -3.275 520 HB3 ASP 71 2HB ASP 71 2.329 -5.829 -2.416 521 H ALA 72 H ALA 72 0.960 -4.154 -3.402 522 HA ALA 72 HA ALA 72 -1.684 -4.300 -2.883 523 HB1 ALA 72 3HB ALA 72 -0.385 -1.908 -4.217 524 HB2 ALA 72 1HB ALA 72 -0.340 -2.281 -2.493 525 HB3 ALA 72 2HB ALA 72 -1.876 -1.884 -3.268 526 H THR 73 H THR 73 -0.364 -3.821 -6.142 527 HA THR 73 HA THR 73 -2.909 -3.704 -7.494 528 HB THR 73 HB THR 73 -0.162 -4.364 -8.653 529 HG1 THR 73 HG1 THR 73 0.159 -2.296 -8.490 530 HG21 THR 73 3HG2 THR 73 -1.119 -3.655 -10.827 531 HG22 THR 73 1HG2 THR 73 -2.707 -3.459 -10.076 532 HG23 THR 73 2HG2 THR 73 -1.975 -5.060 -10.197 533 H ARG 74 H ARG 74 -0.594 -6.335 -6.753 534 HA ARG 74 HA ARG 74 -1.760 -8.477 -8.129 535 HB2 ARG 74 1HB ARG 74 0.388 -8.875 -7.231 536 HB3 ARG 74 2HB ARG 74 -0.047 -8.249 -5.649 537 HG2 ARG 74 1HG ARG 74 -1.448 -10.297 -5.275 538 HG3 ARG 74 2HG ARG 74 -0.858 -10.936 -6.812 539 HD2 ARG 74 1HD ARG 74 1.411 -11.008 -5.974 540 HD3 ARG 74 2HD ARG 74 0.952 -10.150 -4.501 541 HE ARG 74 HE ARG 74 0.126 -12.916 -5.186 542 HH11 ARG 74 1HH1 ARG 74 0.847 -10.484 -2.742 543 HH12 ARG 74 2HH1 ARG 74 0.700 -11.604 -1.427 544 HH21 ARG 74 1HH2 ARG 74 -0.061 -14.360 -3.427 545 HH22 ARG 74 2HH2 ARG 74 0.206 -13.792 -1.807 546 H VAL 75 H VAL 75 -2.347 -7.348 -4.801 547 HA VAL 75 HA VAL 75 -4.299 -9.161 -3.988 548 HB VAL 75 HB VAL 75 -3.992 -6.223 -3.197 549 HG11 VAL 75 1HG1 VAL 75 -6.200 -7.048 -2.522 550 HG12 VAL 75 2HG1 VAL 75 -5.181 -6.830 -1.098 551 HG13 VAL 75 3HG1 VAL 75 -5.469 -8.452 -1.739 552 HG21 VAL 75 3HG2 VAL 75 -1.930 -7.509 -2.787 553 HG22 VAL 75 1HG2 VAL 75 -2.841 -8.700 -1.855 554 HG23 VAL 75 2HG2 VAL 75 -2.690 -7.042 -1.266 555 H ALA 76 H ALA 76 -4.579 -6.033 -5.631 556 HA ALA 76 HA ALA 76 -7.388 -5.747 -5.428 557 HB1 ALA 76 3HB ALA 76 -5.379 -4.397 -7.254 558 HB2 ALA 76 1HB ALA 76 -5.835 -3.862 -5.634 559 HB3 ALA 76 2HB ALA 76 -7.023 -3.835 -6.939 560 H GLN 77 H GLN 77 -5.246 -6.968 -7.994 561 HA GLN 77 HA GLN 77 -7.258 -7.089 -10.036 562 HB2 GLN 77 1HB GLN 77 -5.566 -8.120 -11.441 563 HB3 GLN 77 2HB GLN 77 -4.837 -6.788 -10.551 564 HG2 GLN 77 1HG GLN 77 -3.893 -8.459 -8.935 565 HG3 GLN 77 2HG GLN 77 -4.521 -9.747 -9.963 566 HE21 GLN 77 2HE2 GLN 77 -2.447 -10.569 -10.358 567 HE22 GLN 77 1HE2 GLN 77 -1.307 -9.758 -11.373 568 H LYS 78 H LYS 78 -5.853 -9.443 -7.757 569 HA LYS 78 HA LYS 78 -7.123 -11.774 -8.715 570 HB2 LYS 78 1HB LYS 78 -6.111 -11.055 -5.943 571 HB3 LYS 78 2HB LYS 78 -6.755 -12.648 -6.342 572 HG2 LYS 78 1HG LYS 78 -4.987 -12.931 -8.052 573 HG3 LYS 78 2HG LYS 78 -4.334 -11.345 -7.629 574 HD2 LYS 78 1HD LYS 78 -3.842 -12.138 -5.343 575 HD3 LYS 78 2HD LYS 78 -4.543 -13.715 -5.726 576 HE2 LYS 78 1HE LYS 78 -2.094 -12.508 -7.059 577 HE3 LYS 78 2HE LYS 78 -2.078 -13.741 -5.806 578 HZ1 LYS 78 3HZ LYS 78 -3.307 -14.072 -8.488 579 HZ2 LYS 78 1HZ LYS 78 -3.202 -15.252 -7.284 580 HZ3 LYS 78 2HZ LYS 78 -1.797 -14.678 -8.019 581 H HIS 79 H HIS 79 -8.293 -9.127 -6.753 582 HA HIS 79 HA HIS 79 -10.803 -10.548 -6.120 583 HB2 HIS 79 1HB HIS 79 -9.670 -7.924 -5.069 584 HB3 HIS 79 2HB HIS 79 -11.266 -8.541 -4.641 585 HD1 HIS 79 HD1 HIS 79 -10.989 -11.275 -3.799 586 HD2 HIS 79 HD2 HIS 79 -7.885 -8.599 -3.120 587 HE1 HIS 79 HE1 HIS 79 -9.595 -12.300 -1.990 588 HE2 HIS 79 HE2 HIS 79 -7.621 -10.765 -1.752 589 H GLY 80 H GLY 80 -9.735 -8.967 -8.740 590 HA2 GLY 80 1HA GLY 80 -11.192 -8.646 -10.562 591 HA3 GLY 80 2HA GLY 80 -12.462 -8.121 -9.473 592 H LEU 81 H LEU 81 -9.614 -7.158 -11.258 593 HA LEU 81 HA LEU 81 -10.465 -4.350 -10.970 594 HB2 LEU 81 1HB LEU 81 -8.671 -4.705 -9.292 595 HB3 LEU 81 2HB LEU 81 -7.607 -5.313 -10.544 596 HG LEU 81 HG LEU 81 -7.607 -3.052 -11.623 597 HD11 LEU 81 1HD1 LEU 81 -9.221 -2.191 -9.207 598 HD12 LEU 81 2HD1 LEU 81 -9.772 -2.227 -10.884 599 HD13 LEU 81 3HD1 LEU 81 -8.500 -1.107 -10.405 600 HD21 LEU 81 3HD2 LEU 81 -5.821 -3.672 -10.035 601 HD22 LEU 81 1HD2 LEU 81 -6.765 -2.989 -8.709 602 HD23 LEU 81 2HD2 LEU 81 -6.161 -1.943 -9.998 603 H HIS 82 H HIS 82 -10.089 -3.094 -12.721 604 HA HIS 82 HA HIS 82 -8.655 -4.206 -15.057 605 HB2 HIS 82 1HB HIS 82 -10.291 -2.874 -16.488 606 HB3 HIS 82 2HB HIS 82 -10.968 -4.273 -15.670 607 HD1 HIS 82 HD1 HIS 82 -12.317 -3.655 -13.360 608 HD2 HIS 82 HD2 HIS 82 -11.783 -0.588 -16.112 609 HE1 HIS 82 HE1 HIS 82 -13.973 -1.891 -12.730 610 HE2 HIS 82 HE2 HIS 82 -13.617 -0.034 -14.389 611 HA PRO 83 HA PRO 83 -6.524 -0.323 -13.639 612 HB2 PRO 83 1HB PRO 83 -4.013 -1.661 -14.429 613 HB3 PRO 83 2HB PRO 83 -4.516 -1.110 -12.832 614 HG2 PRO 83 1HG PRO 83 -4.309 -3.751 -13.475 615 HG3 PRO 83 2HG PRO 83 -5.469 -3.144 -12.278 616 HD2 PRO 83 1HD PRO 83 -5.940 -3.887 -15.166 617 HD3 PRO 83 2HD PRO 83 -6.921 -4.261 -13.728 618 H LYS 84 H LYS 84 -6.215 -2.164 -16.596 619 HA LYS 84 HA LYS 84 -4.892 -0.072 -18.111 620 HB2 LYS 84 1HB LYS 84 -4.510 -2.552 -18.467 621 HB3 LYS 84 2HB LYS 84 -6.150 -2.672 -19.092 622 HG2 LYS 84 1HG LYS 84 -5.494 -1.008 -20.885 623 HG3 LYS 84 2HG LYS 84 -3.832 -1.135 -20.302 624 HD2 LYS 84 1HD LYS 84 -5.529 -3.353 -21.516 625 HD3 LYS 84 2HD LYS 84 -4.101 -2.601 -22.228 626 HE2 LYS 84 1HE LYS 84 -4.180 -4.395 -19.773 627 HE3 LYS 84 2HE LYS 84 -3.516 -4.799 -21.354 628 HZ1 LYS 84 3HZ LYS 84 -1.879 -2.981 -20.995 629 HZ2 LYS 84 1HZ LYS 84 -1.742 -4.261 -19.894 630 HZ3 LYS 84 2HZ LYS 84 -2.462 -2.817 -19.415 631 H PHE 85 H PHE 85 -8.067 -1.676 -18.050 632 HA PHE 85 HA PHE 85 -9.237 -0.160 -20.154 633 HB2 PHE 85 1HB PHE 85 -9.980 -2.453 -19.574 634 HB3 PHE 85 2HB PHE 85 -10.579 -1.876 -18.021 635 HD1 PHE 85 HD1 PHE 85 -10.949 -0.903 -21.653 636 HD2 PHE 85 HD2 PHE 85 -12.920 -1.646 -17.929 637 HE1 PHE 85 HE1 PHE 85 -13.117 -0.403 -22.695 638 HE2 PHE 85 HE2 PHE 85 -15.082 -1.148 -18.986 639 HZ PHE 85 HZ PHE 85 -15.186 -0.522 -21.361 640 H GLY 86 H GLY 86 -8.800 0.524 -16.793 641 HA2 GLY 86 1HA GLY 86 -10.918 2.276 -16.224 642 HA3 GLY 86 2HA GLY 86 -9.317 2.350 -15.509 643 H ALA 87 H ALA 87 -7.927 2.828 -18.010 644 HA ALA 87 HA ALA 87 -7.241 4.404 -19.467 645 HB1 ALA 87 3HB ALA 87 -10.127 5.346 -19.479 646 HB2 ALA 87 1HB ALA 87 -9.462 4.064 -20.492 647 HB3 ALA 87 2HB ALA 87 -8.906 5.726 -20.697 648 H ILE 88 H ILE 88 -7.495 5.002 -16.467 649 HA ILE 88 HA ILE 88 -7.783 7.860 -16.223 650 HB ILE 88 HB ILE 88 -6.442 6.032 -14.168 651 HG12 ILE 88 1HG1 ILE 88 -8.658 5.028 -14.795 652 HG13 ILE 88 2HG1 ILE 88 -8.616 5.575 -13.125 653 HG21 ILE 88 1HG2 ILE 88 -7.265 7.690 -12.519 654 HG22 ILE 88 2HG2 ILE 88 -7.990 8.637 -13.821 655 HG23 ILE 88 3HG2 ILE 88 -6.237 8.453 -13.736 656 HD11 ILE 88 3HD1 ILE 88 -10.748 6.065 -14.203 657 HD12 ILE 88 1HD1 ILE 88 -9.921 7.040 -15.415 658 HD13 ILE 88 2HD1 ILE 88 -9.919 7.545 -13.726 659 H THR 89 H THR 89 -6.286 9.133 -17.154 660 HA THR 89 HA THR 89 -3.556 8.436 -17.671 661 HB THR 89 HB THR 89 -3.362 10.890 -18.331 662 HG1 THR 89 HG1 THR 89 -4.836 12.098 -17.393 663 HG21 THR 89 3HG2 THR 89 -4.829 10.703 -20.311 664 HG22 THR 89 1HG2 THR 89 -5.692 9.355 -19.558 665 HG23 THR 89 2HG2 THR 89 -3.994 9.183 -20.003 666 H ARG 90 H ARG 90 -5.223 10.001 -15.050 667 HA ARG 90 HA ARG 90 -2.843 10.872 -13.625 668 HB2 ARG 90 1HB ARG 90 -5.764 10.631 -12.770 669 HB3 ARG 90 2HB ARG 90 -4.492 11.344 -11.777 670 HG2 ARG 90 1HG ARG 90 -4.191 13.161 -13.355 671 HG3 ARG 90 2HG ARG 90 -5.290 12.404 -14.512 672 HD2 ARG 90 1HD ARG 90 -6.073 13.434 -11.761 673 HD3 ARG 90 2HD ARG 90 -6.354 14.283 -13.286 674 HE ARG 90 HE ARG 90 -7.544 11.871 -13.689 675 HH11 ARG 90 1HH1 ARG 90 -7.952 14.310 -11.160 676 HH12 ARG 90 2HH1 ARG 90 -9.626 13.911 -10.910 677 HH21 ARG 90 1HH2 ARG 90 -9.712 11.395 -13.324 678 HH22 ARG 90 2HH2 ARG 90 -10.610 12.274 -12.130 679 H VAL 91 H VAL 91 -2.242 9.946 -11.521 680 HA VAL 91 HA VAL 91 -1.192 8.206 -10.504 681 HB VAL 91 HB VAL 91 -2.615 6.725 -9.158 682 HG11 VAL 91 1HG1 VAL 91 -3.640 9.575 -9.288 683 HG12 VAL 91 2HG1 VAL 91 -2.237 9.003 -8.384 684 HG13 VAL 91 3HG1 VAL 91 -3.857 8.472 -7.925 685 HG21 VAL 91 3HG2 VAL 91 -5.083 6.749 -9.301 686 HG22 VAL 91 1HG2 VAL 91 -4.379 6.143 -10.802 687 HG23 VAL 91 2HG2 VAL 91 -5.009 7.790 -10.723 688 H HIS 92 H HIS 92 -1.275 7.812 -13.305 689 HA HIS 92 HA HIS 92 -1.817 5.004 -13.835 690 HB2 HIS 92 1HB HIS 92 -2.413 6.892 -15.433 691 HB3 HIS 92 2HB HIS 92 -0.694 7.136 -15.708 692 HD1 HIS 92 HD1 HIS 92 -3.557 5.015 -16.661 693 HD2 HIS 92 HD2 HIS 92 0.565 4.994 -17.187 694 HE1 HIS 92 HE1 HIS 92 -3.114 3.356 -18.484 695 HE2 HIS 92 HE2 HIS 92 -0.612 3.233 -18.659 696 H LYS 93 H LYS 93 0.923 7.257 -13.672 697 HA LYS 93 HA LYS 93 2.803 4.995 -13.376 698 HB2 LYS 93 1HB LYS 93 4.437 6.062 -14.862 699 HB3 LYS 93 2HB LYS 93 2.939 5.766 -15.739 700 HG2 LYS 93 1HG LYS 93 2.331 8.091 -15.691 701 HG3 LYS 93 2HG LYS 93 3.597 8.466 -14.519 702 HD2 LYS 93 1HD LYS 93 5.302 7.812 -16.275 703 HD3 LYS 93 2HD LYS 93 3.973 7.679 -17.432 704 HE2 LYS 93 1HE LYS 93 3.460 10.041 -17.189 705 HE3 LYS 93 2HE LYS 93 4.632 10.205 -15.881 706 HZ1 LYS 93 3HZ LYS 93 6.378 9.631 -17.470 707 HZ2 LYS 93 1HZ LYS 93 5.544 11.036 -17.914 708 HZ3 LYS 93 2HZ LYS 93 5.235 9.581 -18.713 709 H GLU 94 H GLU 94 1.524 6.840 -11.463 710 HA GLU 94 HA GLU 94 3.545 8.780 -10.638 711 HB2 GLU 94 1HB GLU 94 0.866 8.037 -9.390 712 HB3 GLU 94 2HB GLU 94 1.903 9.344 -8.829 713 HG2 GLU 94 1HG GLU 94 0.501 9.169 -11.507 714 HG3 GLU 94 2HG GLU 94 0.070 10.224 -10.163 715 H TYR 95 H TYR 95 4.217 5.913 -10.547 716 HA TYR 95 HA TYR 95 4.354 4.741 -8.049 717 HB2 TYR 95 1HB TYR 95 5.077 3.758 -10.268 718 HB3 TYR 95 2HB TYR 95 6.525 4.744 -10.202 719 HD1 TYR 95 HD1 TYR 95 8.347 4.188 -8.546 720 HD2 TYR 95 HD2 TYR 95 4.865 1.729 -8.911 721 HE1 TYR 95 HE1 TYR 95 9.491 2.384 -7.338 722 HE2 TYR 95 HE2 TYR 95 6.019 -0.069 -7.697 723 HH TYR 95 HH TYR 95 8.838 0.384 -5.958 724 H ASP 96 H ASP 96 6.437 7.152 -9.558 725 HA ASP 96 HA ASP 96 8.497 7.310 -7.672 726 HB2 ASP 96 1HB ASP 96 7.511 9.444 -9.609 727 HB3 ASP 96 2HB ASP 96 9.064 9.470 -8.772 728 H ALA 97 H ALA 97 5.357 8.904 -7.740 729 HA ALA 97 HA ALA 97 5.998 11.037 -5.935 730 HB1 ALA 97 3HB ALA 97 4.171 11.227 -7.567 731 HB2 ALA 97 1HB ALA 97 3.567 11.464 -5.923 732 HB3 ALA 97 2HB ALA 97 3.292 9.932 -6.756 733 H MET 98 H MET 98 3.970 8.145 -5.552 734 HA MET 98 HA MET 98 3.751 8.076 -2.778 735 HB2 MET 98 1HB MET 98 3.746 5.799 -4.798 736 HB3 MET 98 2HB MET 98 3.283 5.605 -3.111 737 HG2 MET 98 1HG MET 98 1.322 5.790 -4.553 738 HG3 MET 98 2HG MET 98 1.407 7.147 -3.428 739 HE1 MET 98 3HE MET 98 -0.238 8.729 -6.670 740 HE2 MET 98 1HE MET 98 -0.435 8.458 -4.938 741 HE3 MET 98 2HE MET 98 -0.490 7.094 -6.054 742 H PHE 99 H PHE 99 6.298 6.882 -4.842 743 HA PHE 99 HA PHE 99 7.818 5.324 -3.026 744 HB2 PHE 99 1HB PHE 99 8.122 5.417 -5.538 745 HB3 PHE 99 2HB PHE 99 8.897 6.980 -5.356 746 HD1 PHE 99 HD1 PHE 99 11.122 7.081 -4.002 747 HD2 PHE 99 HD2 PHE 99 9.393 3.409 -5.364 748 HE1 PHE 99 HE1 PHE 99 13.295 5.959 -3.763 749 HE2 PHE 99 HE2 PHE 99 11.574 2.304 -5.117 750 HZ PHE 99 HZ PHE 99 13.525 3.572 -4.317 751 H GLU 100 H GLU 100 8.279 8.722 -4.028 752 HA GLU 100 HA GLU 100 10.313 9.303 -2.145 753 HB2 GLU 100 1HB GLU 100 8.628 11.165 -3.846 754 HB3 GLU 100 2HB GLU 100 9.999 11.688 -2.866 755 HG2 GLU 100 1HG GLU 100 11.493 10.198 -4.167 756 HG3 GLU 100 2HG GLU 100 10.126 9.705 -5.166 757 H ASP 101 H ASP 101 6.842 9.523 -1.993 758 HA ASP 101 HA ASP 101 6.566 11.208 0.268 759 HB2 ASP 101 1HB ASP 101 4.689 10.607 -1.252 760 HB3 ASP 101 2HB ASP 101 4.765 8.937 -0.706 761 H ILE 102 H ILE 102 6.309 7.681 0.063 762 HA ILE 102 HA ILE 102 6.490 7.053 2.752 763 HB ILE 102 HB ILE 102 7.132 5.396 0.283 764 HG12 ILE 102 1HG1 ILE 102 4.719 5.522 2.160 765 HG13 ILE 102 2HG1 ILE 102 4.780 6.109 0.504 766 HG21 ILE 102 1HG2 ILE 102 7.010 3.345 1.685 767 HG22 ILE 102 2HG2 ILE 102 6.935 4.344 3.138 768 HG23 ILE 102 3HG2 ILE 102 8.385 4.356 2.133 769 HD11 ILE 102 3HD1 ILE 102 3.550 4.046 0.641 770 HD12 ILE 102 1HD1 ILE 102 4.921 3.231 1.392 771 HD13 ILE 102 2HD1 ILE 102 5.032 3.792 -0.278 772 H ARG 103 H ARG 103 9.249 7.508 0.470 773 HA ARG 103 HA ARG 103 11.233 6.410 2.202 774 HB2 ARG 103 1HB ARG 103 12.943 7.277 0.775 775 HB3 ARG 103 2HB ARG 103 11.616 6.741 -0.232 776 HG2 ARG 103 1HG ARG 103 12.227 8.686 -1.295 777 HG3 ARG 103 2HG ARG 103 10.927 9.252 -0.255 778 HD2 ARG 103 1HD ARG 103 12.690 10.854 -0.146 779 HD3 ARG 103 2HD ARG 103 12.668 10.014 1.394 780 HE ARG 103 HE ARG 103 14.516 8.917 -0.537 781 HH11 ARG 103 1HH1 ARG 103 14.167 11.190 2.129 782 HH12 ARG 103 2HH1 ARG 103 15.874 11.352 2.367 783 HH21 ARG 103 1HH2 ARG 103 16.739 9.136 -0.204 784 HH22 ARG 103 2HH2 ARG 103 17.337 10.177 1.053 785 H ALA 104 H ALA 104 9.796 9.574 2.000 786 HA ALA 104 HA ALA 104 11.717 10.948 3.624 787 HB1 ALA 104 3HB ALA 104 10.094 12.802 3.549 788 HB2 ALA 104 1HB ALA 104 8.893 11.733 2.821 789 HB3 ALA 104 2HB ALA 104 10.372 12.130 1.942 790 H LYS 105 H LYS 105 8.374 9.754 4.162 791 HA LYS 105 HA LYS 105 8.095 10.174 6.870 792 HB2 LYS 105 1HB LYS 105 6.416 9.260 5.087 793 HB3 LYS 105 2HB LYS 105 7.037 7.673 5.499 794 HG2 LYS 105 1HG LYS 105 5.248 7.687 6.942 795 HG3 LYS 105 2HG LYS 105 6.383 8.520 8.002 796 HD2 LYS 105 1HD LYS 105 4.367 9.901 6.173 797 HD3 LYS 105 2HD LYS 105 4.108 9.609 7.891 798 HE2 LYS 105 1HE LYS 105 6.489 11.206 6.930 799 HE3 LYS 105 2HE LYS 105 4.910 11.971 7.128 800 HZ1 LYS 105 3HZ LYS 105 4.933 11.459 9.421 801 HZ2 LYS 105 1HZ LYS 105 6.427 12.152 9.058 802 HZ3 LYS 105 2HZ LYS 105 6.296 10.486 9.271 803 H LEU 106 H LEU 106 9.575 7.398 5.240 804 HA LEU 106 HA LEU 106 10.082 5.824 7.512 805 HB2 LEU 106 1HB LEU 106 10.984 5.785 4.669 806 HB3 LEU 106 2HB LEU 106 12.064 4.970 5.782 807 HG LEU 106 HG LEU 106 10.322 3.398 6.447 808 HD11 LEU 106 1HD1 LEU 106 8.380 4.900 6.400 809 HD12 LEU 106 2HD1 LEU 106 8.072 3.411 5.519 810 HD13 LEU 106 3HD1 LEU 106 8.412 4.898 4.635 811 HD21 LEU 106 3HD2 LEU 106 10.371 3.667 3.412 812 HD22 LEU 106 1HD2 LEU 106 9.946 2.213 4.320 813 HD23 LEU 106 2HD2 LEU 106 11.587 2.846 4.393 814 H HIS 107 H HIS 107 12.099 8.288 5.918 815 HA HIS 107 HA HIS 107 14.345 7.979 7.665 816 HB2 HIS 107 1HB HIS 107 14.420 9.024 5.370 817 HB3 HIS 107 2HB HIS 107 13.587 10.433 6.017 818 HD1 HIS 107 HD1 HIS 107 16.891 8.614 6.178 819 HD2 HIS 107 HD2 HIS 107 15.227 12.215 7.425 820 HE1 HIS 107 HE1 HIS 107 18.815 9.998 7.016 821 HE2 HIS 107 HE2 HIS 107 17.793 12.198 7.675 822 H ALA 108 H ALA 108 11.414 9.902 7.762 823 HA ALA 108 HA ALA 108 10.237 10.878 9.407 824 HB1 ALA 108 3HB ALA 108 10.773 8.840 10.682 825 HB2 ALA 108 1HB ALA 108 10.639 10.245 11.742 826 HB3 ALA 108 2HB ALA 108 12.230 9.610 11.312 827 H HIS 109 H HIS 109 12.964 12.104 8.404 828 HA HIS 109 HA HIS 109 12.924 14.474 10.138 829 HB2 HIS 109 1HB HIS 109 15.463 12.878 9.504 830 HB3 HIS 109 2HB HIS 109 15.458 14.487 10.218 831 HD1 HIS 109 HD1 HIS 109 14.931 10.892 11.047 832 HD2 HIS 109 HD2 HIS 109 14.627 14.579 12.946 833 HE1 HIS 109 HE1 HIS 109 14.738 10.376 13.495 834 HE2 HIS 109 HE2 HIS 109 14.414 12.612 14.603 835 HA PRO 110 HA PRO 110 13.215 16.774 6.263 836 HB2 PRO 110 1HB PRO 110 15.269 18.460 7.699 837 HB3 PRO 110 2HB PRO 110 13.846 18.967 6.775 838 HG2 PRO 110 1HG PRO 110 13.773 19.005 9.436 839 HG3 PRO 110 2HG PRO 110 12.361 18.419 8.523 840 HD2 PRO 110 1HD PRO 110 14.468 16.830 9.990 841 HD3 PRO 110 2HD PRO 110 12.714 16.558 9.898 842 H GLY 111 H GLY 111 14.180 15.181 5.018 843 HA2 GLY 111 1HA GLY 111 16.915 15.678 4.136 844 HA3 GLY 111 2HA GLY 111 16.629 14.084 4.838 845 H GLU 112 H GLU 112 14.221 15.882 3.062 846 HA GLU 112 HA GLU 112 13.757 13.641 1.272 847 HB2 GLU 112 1HB GLU 112 11.747 14.938 0.580 848 HB3 GLU 112 2HB GLU 112 11.832 14.718 2.323 849 HG2 GLU 112 1HG GLU 112 12.728 17.044 2.534 850 HG3 GLU 112 2HG GLU 112 12.506 17.257 0.797 851 HA PRO 113 HA PRO 113 15.777 15.691 -2.264 852 HB2 PRO 113 1HB PRO 113 15.230 13.904 -4.180 853 HB3 PRO 113 2HB PRO 113 16.208 13.422 -2.784 854 HG2 PRO 113 1HG PRO 113 13.285 12.912 -3.316 855 HG3 PRO 113 2HG PRO 113 14.517 11.800 -2.684 856 HD2 PRO 113 1HD PRO 113 12.706 13.250 -1.117 857 HD3 PRO 113 2HD PRO 113 14.222 12.541 -0.520 858 H VAL 114 H VAL 114 14.960 15.933 -4.804 859 HA VAL 114 HA VAL 114 12.204 17.015 -4.786 860 HB VAL 114 HB VAL 114 13.879 18.840 -4.884 861 HG11 VAL 114 1HG1 VAL 114 15.755 17.700 -5.976 862 HG12 VAL 114 2HG1 VAL 114 15.344 19.173 -6.854 863 HG13 VAL 114 3HG1 VAL 114 14.850 17.600 -7.487 864 HG21 VAL 114 3HG2 VAL 114 12.976 20.032 -6.860 865 HG22 VAL 114 1HG2 VAL 114 11.708 19.184 -5.969 866 HG23 VAL 114 2HG2 VAL 114 12.324 18.511 -7.480 867 H ASP 115 H ASP 115 10.978 16.705 -6.637 868 HA ASP 115 HA ASP 115 11.436 14.110 -7.852 869 HB2 ASP 115 1HB ASP 115 9.065 14.263 -8.508 870 HB3 ASP 115 2HB ASP 115 9.276 14.622 -6.799 871 H LEU 116 H LEU 116 12.184 17.246 -8.900 872 HA LEU 116 HA LEU 116 11.372 17.118 -11.622 873 HB2 LEU 116 1HB LEU 116 12.969 18.984 -12.028 874 HB3 LEU 116 2HB LEU 116 11.872 19.260 -10.696 875 HG LEU 116 HG LEU 116 13.878 18.548 -9.160 876 HD11 LEU 116 1HD1 LEU 116 15.402 17.692 -10.885 877 HD12 LEU 116 2HD1 LEU 116 16.125 19.046 -10.023 878 HD13 LEU 116 3HD1 LEU 116 15.461 19.286 -11.643 879 HD21 LEU 116 3HD2 LEU 116 12.955 20.816 -9.228 880 HD22 LEU 116 1HD2 LEU 116 13.948 21.199 -10.638 881 HD23 LEU 116 2HD2 LEU 116 14.709 20.861 -9.081 882 H GLU 117 H GLU 117 14.153 15.856 -9.932 883 HA GLU 117 HA GLU 117 15.620 15.125 -12.340 884 HB2 GLU 117 1HB GLU 117 16.682 15.944 -10.178 885 HB3 GLU 117 2HB GLU 117 16.216 14.418 -9.436 886 HG2 GLU 117 1HG GLU 117 17.647 13.197 -11.044 887 HG3 GLU 117 2HG GLU 117 18.103 14.721 -11.806 888 H ARG 118 H ARG 118 12.962 13.856 -10.862 889 HA ARG 118 HA ARG 118 13.683 11.034 -10.907 890 HB2 ARG 118 1HB ARG 118 11.962 12.481 -9.320 891 HB3 ARG 118 2HB ARG 118 10.823 11.852 -10.495 892 HG2 ARG 118 1HG ARG 118 10.898 10.389 -8.576 893 HG3 ARG 118 2HG ARG 118 11.595 9.541 -9.963 894 HD2 ARG 118 1HD ARG 118 12.912 9.192 -7.901 895 HD3 ARG 118 2HD ARG 118 13.859 10.013 -9.147 896 HE ARG 118 HE ARG 118 12.510 11.740 -7.233 897 HH11 ARG 118 1HH1 ARG 118 15.549 10.166 -8.067 898 HH12 ARG 118 2HH1 ARG 118 16.479 11.169 -7.002 899 HH21 ARG 118 1HH2 ARG 118 13.729 13.033 -5.884 900 HH22 ARG 118 2HH2 ARG 118 15.455 12.820 -5.792 901 H ILE 119 H ILE 119 12.183 13.364 -12.984 902 HA ILE 119 HA ILE 119 11.060 11.420 -14.822 903 HB ILE 119 HB ILE 119 11.531 14.427 -15.161 904 HG12 ILE 119 1HG1 ILE 119 8.927 14.448 -15.192 905 HG13 ILE 119 2HG1 ILE 119 9.008 12.814 -14.550 906 HG21 ILE 119 1HG2 ILE 119 10.136 12.526 -17.086 907 HG22 ILE 119 2HG2 ILE 119 11.663 13.365 -17.359 908 HG23 ILE 119 3HG2 ILE 119 10.165 14.286 -17.235 909 HD11 ILE 119 3HD1 ILE 119 8.602 14.456 -12.821 910 HD12 ILE 119 1HD1 ILE 119 10.095 15.294 -13.238 911 HD13 ILE 119 2HD1 ILE 119 10.157 13.661 -12.571 912 H ILE 120 H ILE 120 13.721 13.814 -14.973 913 HA ILE 120 HA ILE 120 15.112 12.220 -17.035 914 HB ILE 120 HB ILE 120 15.745 15.048 -16.064 915 HG12 ILE 120 1HG1 ILE 120 13.477 14.994 -17.105 916 HG13 ILE 120 2HG1 ILE 120 14.610 15.911 -18.089 917 HG21 ILE 120 1HG2 ILE 120 17.078 15.247 -18.145 918 HG22 ILE 120 2HG2 ILE 120 16.704 13.569 -18.542 919 HG23 ILE 120 3HG2 ILE 120 17.669 13.941 -17.113 920 HD11 ILE 120 3HD1 ILE 120 13.143 14.554 -19.461 921 HD12 ILE 120 1HD1 ILE 120 13.666 13.088 -18.633 922 HD13 ILE 120 2HD1 ILE 120 14.808 13.998 -19.628 923 H ARG 121 H ARG 121 16.102 10.603 -15.837 924 HA ARG 121 HA ARG 121 17.490 11.169 -13.341 925 HB2 ARG 121 1HB ARG 121 17.273 8.560 -14.911 926 HB3 ARG 121 2HB ARG 121 18.041 8.729 -13.340 927 HG2 ARG 121 1HG ARG 121 15.949 7.853 -12.803 928 HG3 ARG 121 2HG ARG 121 15.736 9.578 -12.509 929 HD2 ARG 121 1HD ARG 121 13.780 8.741 -13.634 930 HD3 ARG 121 2HD ARG 121 14.662 9.771 -14.766 931 HE ARG 121 HE ARG 121 15.514 7.130 -15.165 932 HH11 ARG 121 1HH1 ARG 121 12.550 8.989 -15.608 933 HH12 ARG 121 2HH1 ARG 121 11.979 7.978 -16.897 934 HH21 ARG 121 1HH2 ARG 121 14.730 5.825 -16.844 935 HH22 ARG 121 2HH2 ARG 121 13.209 6.200 -17.596 936 H HIS 122 H HIS 122 18.605 9.406 -16.268 937 HA HIS 122 HA HIS 122 20.700 11.223 -16.890 938 HB2 HIS 122 1HB HIS 122 21.819 10.177 -14.944 939 HB3 HIS 122 2HB HIS 122 21.560 8.577 -15.630 940 HD1 HIS 122 HD1 HIS 122 23.416 7.699 -17.066 941 HD2 HIS 122 HD2 HIS 122 23.666 11.813 -16.559 942 HE1 HIS 122 HE1 HIS 122 25.558 8.385 -18.173 943 HE2 HIS 122 HE2 HIS 122 25.774 10.841 -17.684 944 H GLU 123 H GLU 123 20.939 11.092 -18.982 945 HA GLU 123 HA GLU 123 20.469 10.425 -21.149 946 HB2 GLU 123 1HB GLU 123 22.875 8.744 -20.374 947 HB3 GLU 123 2HB GLU 123 22.495 9.337 -21.987 948 HG2 GLU 123 1HG GLU 123 23.339 10.965 -19.573 949 HG3 GLU 123 2HG GLU 123 24.254 10.693 -21.052 950 H GLY 124 H GLY 124 21.570 7.286 -19.851 951 HA2 GLY 124 1HA GLY 124 19.870 5.400 -19.971 952 HA3 GLY 124 2HA GLY 124 19.667 5.892 -21.652 953 H SER 125 H SER 125 22.719 6.012 -19.974 954 HA SER 125 HA SER 125 23.906 4.036 -21.792 955 HB2 SER 125 1HB SER 125 26.082 5.081 -20.932 956 HB3 SER 125 2HB SER 125 25.039 6.155 -21.863 957 HG SER 125 HG SER 125 25.070 6.028 -19.019 Start of MODEL 15 1 H1 GLN 1 1H GLN 1 -13.537 11.783 -8.609 2 H2 GLN 1 2H GLN 1 -14.866 12.801 -8.385 3 H3 GLN 1 3H GLN 1 -15.087 11.254 -9.030 4 HA GLN 1 HA GLN 1 -14.128 11.878 -6.307 5 HB2 GLN 1 1HB GLN 1 -16.804 10.720 -7.216 6 HB3 GLN 1 2HB GLN 1 -16.287 10.867 -5.545 7 HG2 GLN 1 1HG GLN 1 -17.800 12.647 -5.917 8 HG3 GLN 1 2HG GLN 1 -16.197 13.381 -5.895 9 HE21 GLN 1 2HE2 GLN 1 -16.872 15.177 -7.079 10 HE22 GLN 1 1HE2 GLN 1 -17.288 15.100 -8.754 11 H GLY 2 H GLY 2 -14.651 9.714 -4.968 12 HA2 GLY 2 1HA GLY 2 -14.323 7.467 -4.618 13 HA3 GLY 2 2HA GLY 2 -14.181 7.221 -6.350 14 H HIS 3 H HIS 3 -12.095 7.831 -7.375 15 HA HIS 3 HA HIS 3 -9.946 6.579 -6.037 16 HB2 HIS 3 1HB HIS 3 -8.591 7.058 -7.986 17 HB3 HIS 3 2HB HIS 3 -10.210 6.681 -8.548 18 HD1 HIS 3 HD1 HIS 3 -7.618 9.297 -8.631 19 HD2 HIS 3 HD2 HIS 3 -11.671 9.012 -9.524 20 HE1 HIS 3 HE1 HIS 3 -8.147 11.328 -10.010 21 HE2 HIS 3 HE2 HIS 3 -10.624 11.197 -10.428 22 H MET 4 H MET 4 -8.450 7.320 -4.677 23 HA MET 4 HA MET 4 -7.851 10.192 -4.430 24 HB2 MET 4 1HB MET 4 -8.830 8.417 -2.139 25 HB3 MET 4 2HB MET 4 -8.000 9.945 -1.877 26 HG2 MET 4 1HG MET 4 -9.812 11.149 -2.998 27 HG3 MET 4 2HG MET 4 -10.637 9.630 -3.339 28 HE1 MET 4 3HE MET 4 -10.071 11.292 0.958 29 HE2 MET 4 1HE MET 4 -9.469 12.122 -0.475 30 HE3 MET 4 2HE MET 4 -8.738 10.599 0.033 31 H PHE 5 H PHE 5 -5.900 10.621 -3.287 32 HA PHE 5 HA PHE 5 -4.251 8.430 -2.302 33 HB2 PHE 5 1HB PHE 5 -3.411 8.552 -4.587 34 HB3 PHE 5 2HB PHE 5 -3.332 10.310 -4.528 35 HD1 PHE 5 HD1 PHE 5 -2.031 7.457 -2.434 36 HD2 PHE 5 HD2 PHE 5 -1.141 11.145 -4.410 37 HE1 PHE 5 HE1 PHE 5 0.281 7.344 -1.616 38 HE2 PHE 5 HE2 PHE 5 1.171 11.011 -3.595 39 HZ PHE 5 HZ PHE 5 1.882 9.125 -2.184 40 H GLU 6 H GLU 6 -3.235 9.029 -0.501 41 HA GLU 6 HA GLU 6 -2.679 11.781 0.224 42 HB2 GLU 6 1HB GLU 6 -4.060 11.658 2.298 43 HB3 GLU 6 2HB GLU 6 -5.063 11.525 0.858 44 HG2 GLU 6 1HG GLU 6 -5.112 9.053 1.150 45 HG3 GLU 6 2HG GLU 6 -4.192 9.227 2.640 46 HA PRO 7 HA PRO 7 0.629 9.839 2.666 47 HB2 PRO 7 1HB PRO 7 -0.288 11.591 4.956 48 HB3 PRO 7 2HB PRO 7 1.341 11.361 4.296 49 HG2 PRO 7 1HG PRO 7 -0.012 13.573 3.704 50 HG3 PRO 7 2HG PRO 7 0.922 12.747 2.435 51 HD2 PRO 7 1HD PRO 7 -2.057 12.699 2.936 52 HD3 PRO 7 2HD PRO 7 -1.173 12.813 1.394 53 H GLY 8 H GLY 8 -0.124 7.745 2.911 54 HA2 GLY 8 1HA GLY 8 -0.186 6.099 4.643 55 HA3 GLY 8 2HA GLY 8 -1.328 7.085 5.533 56 H HIS 9 H HIS 9 -2.418 7.231 2.397 57 HA HIS 9 HA HIS 9 -3.874 4.722 2.314 58 HB2 HIS 9 1HB HIS 9 -5.121 5.789 4.089 59 HB3 HIS 9 2HB HIS 9 -5.250 7.287 3.186 60 HD1 HIS 9 HD1 HIS 9 -7.461 7.635 2.170 61 HD2 HIS 9 HD2 HIS 9 -6.647 3.580 2.640 62 HE1 HIS 9 HE1 HIS 9 -9.541 6.447 1.453 63 HE2 HIS 9 HE2 HIS 9 -9.126 4.040 2.043 64 H LEU 10 H LEU 10 -5.080 4.422 0.426 65 HA LEU 10 HA LEU 10 -5.281 6.472 -1.642 66 HB2 LEU 10 1HB LEU 10 -3.069 5.269 -1.892 67 HB3 LEU 10 2HB LEU 10 -3.928 3.756 -2.066 68 HG LEU 10 HG LEU 10 -4.428 6.002 -4.044 69 HD11 LEU 10 1HD1 LEU 10 -2.116 4.046 -4.251 70 HD12 LEU 10 2HD1 LEU 10 -1.987 5.783 -3.965 71 HD13 LEU 10 3HD1 LEU 10 -2.625 5.192 -5.498 72 HD21 LEU 10 3HD2 LEU 10 -5.915 4.043 -4.184 73 HD22 LEU 10 1HD2 LEU 10 -4.515 2.981 -4.371 74 HD23 LEU 10 2HD2 LEU 10 -4.902 4.170 -5.619 75 H HIS 11 H HIS 11 -7.030 5.937 -3.133 76 HA HIS 11 HA HIS 11 -8.776 3.663 -2.344 77 HB2 HIS 11 1HB HIS 11 -9.555 5.897 -1.453 78 HB3 HIS 11 2HB HIS 11 -9.722 6.461 -3.107 79 HD1 HIS 11 HD1 HIS 11 -12.217 6.896 -2.152 80 HD2 HIS 11 HD2 HIS 11 -11.194 2.927 -2.801 81 HE1 HIS 11 HE1 HIS 11 -14.386 5.644 -2.203 82 HE2 HIS 11 HE2 HIS 11 -13.737 3.231 -2.467 83 H LEU 12 H LEU 12 -9.759 2.554 -3.982 84 HA LEU 12 HA LEU 12 -9.404 3.353 -6.808 85 HB2 LEU 12 1HB LEU 12 -9.174 0.540 -5.642 86 HB3 LEU 12 2HB LEU 12 -9.203 0.906 -7.357 87 HG LEU 12 HG LEU 12 -7.008 1.736 -5.418 88 HD11 LEU 12 1HD1 LEU 12 -6.987 -0.421 -7.559 89 HD12 LEU 12 2HD1 LEU 12 -6.991 -0.687 -5.814 90 HD13 LEU 12 3HD1 LEU 12 -5.603 0.079 -6.581 91 HD21 LEU 12 3HD2 LEU 12 -7.247 3.377 -7.234 92 HD22 LEU 12 1HD2 LEU 12 -7.170 2.088 -8.441 93 HD23 LEU 12 2HD2 LEU 12 -5.763 2.452 -7.438 94 H VAL 13 H VAL 13 -11.274 3.213 -7.976 95 HA VAL 13 HA VAL 13 -13.581 1.664 -6.981 96 HB VAL 13 HB VAL 13 -15.114 3.595 -7.676 97 HG11 VAL 13 1HG1 VAL 13 -13.319 4.102 -5.274 98 HG12 VAL 13 2HG1 VAL 13 -14.753 3.074 -5.301 99 HG13 VAL 13 3HG1 VAL 13 -14.916 4.815 -5.537 100 HG21 VAL 13 3HG2 VAL 13 -12.551 5.225 -7.517 101 HG22 VAL 13 1HG2 VAL 13 -14.182 5.879 -7.700 102 HG23 VAL 13 2HG2 VAL 13 -13.473 4.904 -8.988 103 H SER 14 H SER 14 -13.985 0.329 -8.520 104 HA SER 14 HA SER 14 -13.876 0.092 -11.167 105 HB2 SER 14 1HB SER 14 -16.294 -0.744 -11.310 106 HB3 SER 14 2HB SER 14 -15.289 -1.488 -10.071 107 HG SER 14 HG SER 14 -17.580 -0.145 -9.782 108 H LEU 15 H LEU 15 -14.050 1.364 -12.885 109 HA LEU 15 HA LEU 15 -15.803 3.740 -12.888 110 HB2 LEU 15 1HB LEU 15 -13.766 5.021 -13.799 111 HB3 LEU 15 2HB LEU 15 -13.773 4.632 -12.092 112 HG LEU 15 HG LEU 15 -12.214 2.668 -12.647 113 HD11 LEU 15 1HD1 LEU 15 -11.842 4.105 -15.285 114 HD12 LEU 15 2HD1 LEU 15 -12.586 2.521 -15.067 115 HD13 LEU 15 3HD1 LEU 15 -10.881 2.750 -14.686 116 HD21 LEU 15 3HD2 LEU 15 -10.188 4.068 -12.661 117 HD22 LEU 15 1HD2 LEU 15 -11.402 4.708 -11.552 118 HD23 LEU 15 2HD2 LEU 15 -11.152 5.474 -13.122 119 HA PRO 16 HA PRO 16 -16.952 2.997 -17.124 120 HB2 PRO 16 1HB PRO 16 -16.227 5.421 -18.380 121 HB3 PRO 16 2HB PRO 16 -17.741 5.099 -17.519 122 HG2 PRO 16 1HG PRO 16 -15.221 6.390 -16.482 123 HG3 PRO 16 2HG PRO 16 -16.913 6.896 -16.259 124 HD2 PRO 16 1HD PRO 16 -15.692 5.618 -14.301 125 HD3 PRO 16 2HD PRO 16 -17.356 5.138 -14.718 126 H GLY 17 H GLY 17 -15.788 1.472 -18.019 127 HA2 GLY 17 1HA GLY 17 -13.965 1.500 -19.970 128 HA3 GLY 17 2HA GLY 17 -12.939 1.644 -18.541 129 H LEU 18 H LEU 18 -14.571 0.136 -16.782 130 HA LEU 18 HA LEU 18 -13.876 -2.600 -17.533 131 HB2 LEU 18 1HB LEU 18 -15.007 -1.400 -14.956 132 HB3 LEU 18 2HB LEU 18 -14.747 -3.115 -15.173 133 HG LEU 18 HG LEU 18 -12.946 -2.225 -13.834 134 HD11 LEU 18 1HD1 LEU 18 -12.357 -4.010 -15.384 135 HD12 LEU 18 2HD1 LEU 18 -10.999 -2.931 -15.093 136 HD13 LEU 18 3HD1 LEU 18 -11.896 -2.819 -16.607 137 HD21 LEU 18 3HD2 LEU 18 -12.364 -0.245 -16.057 138 HD22 LEU 18 1HD2 LEU 18 -11.380 -0.489 -14.610 139 HD23 LEU 18 2HD2 LEU 18 -13.024 0.131 -14.465 140 H ASP 19 H ASP 19 -16.753 -1.579 -15.774 141 HA ASP 19 HA ASP 19 -18.824 -1.872 -17.545 142 HB2 ASP 19 1HB ASP 19 -17.987 -4.340 -17.639 143 HB3 ASP 19 2HB ASP 19 -18.519 -4.489 -15.969 144 H GLN 20 H GLN 20 -20.966 -2.405 -16.088 145 HA GLN 20 HA GLN 20 -20.804 -0.772 -13.707 146 HB2 GLN 20 1HB GLN 20 -23.266 -1.102 -13.583 147 HB3 GLN 20 2HB GLN 20 -22.741 -0.499 -15.146 148 HG2 GLN 20 1HG GLN 20 -23.027 -2.742 -16.125 149 HG3 GLN 20 2HG GLN 20 -23.500 -3.378 -14.548 150 HE21 GLN 20 2HE2 GLN 20 -25.537 -4.028 -15.267 151 HE22 GLN 20 1HE2 GLN 20 -26.795 -2.914 -15.662 152 H GLN 21 H GLN 21 -19.145 -2.489 -12.909 153 HA GLN 21 HA GLN 21 -20.465 -4.515 -11.203 154 HB2 GLN 21 1HB GLN 21 -18.824 -5.489 -12.825 155 HB3 GLN 21 2HB GLN 21 -17.581 -4.411 -12.209 156 HG2 GLN 21 1HG GLN 21 -17.733 -5.524 -9.996 157 HG3 GLN 21 2HG GLN 21 -18.946 -6.626 -10.646 158 HE21 GLN 21 2HE2 GLN 21 -16.339 -7.240 -9.483 159 HE22 GLN 21 1HE2 GLN 21 -15.448 -8.094 -10.691 160 H ASP 22 H ASP 22 -19.841 -4.454 -9.006 161 HA ASP 22 HA ASP 22 -18.967 -1.795 -8.122 162 HB2 ASP 22 1HB ASP 22 -21.134 -2.746 -7.320 163 HB3 ASP 22 2HB ASP 22 -20.270 -4.072 -6.563 164 H ILE 23 H ILE 23 -16.642 -2.074 -8.455 165 HA ILE 23 HA ILE 23 -15.401 -3.785 -6.373 166 HB ILE 23 HB ILE 23 -13.456 -4.128 -7.571 167 HG12 ILE 23 1HG1 ILE 23 -12.759 -2.604 -9.643 168 HG13 ILE 23 2HG1 ILE 23 -13.813 -1.423 -8.894 169 HG21 ILE 23 1HG2 ILE 23 -13.944 -4.616 -9.947 170 HG22 ILE 23 2HG2 ILE 23 -15.421 -3.659 -9.830 171 HG23 ILE 23 3HG2 ILE 23 -15.248 -5.129 -8.871 172 HD11 ILE 23 3HD1 ILE 23 -11.345 -2.636 -7.656 173 HD12 ILE 23 1HD1 ILE 23 -12.401 -1.444 -6.887 174 HD13 ILE 23 2HD1 ILE 23 -11.502 -1.019 -8.339 175 H ASN 24 H ASN 24 -14.582 -2.833 -4.733 176 HA ASN 24 HA ASN 24 -13.838 0.046 -4.692 177 HB2 ASN 24 1HB ASN 24 -15.560 -1.352 -2.562 178 HB3 ASN 24 2HB ASN 24 -14.899 0.276 -2.445 179 HD21 ASN 24 2HD2 ASN 24 -17.275 -1.745 -4.036 180 HD22 ASN 24 1HD2 ASN 24 -18.241 -0.447 -4.647 181 H ILE 25 H ILE 25 -11.930 0.349 -3.552 182 HA ILE 25 HA ILE 25 -10.772 -1.828 -1.963 183 HB ILE 25 HB ILE 25 -9.352 -0.741 -4.453 184 HG12 ILE 25 1HG1 ILE 25 -10.349 -3.583 -3.937 185 HG13 ILE 25 2HG1 ILE 25 -11.125 -2.426 -5.010 186 HG21 ILE 25 1HG2 ILE 25 -8.374 -2.798 -2.425 187 HG22 ILE 25 2HG2 ILE 25 -7.764 -1.153 -2.614 188 HG23 ILE 25 3HG2 ILE 25 -7.528 -2.329 -3.904 189 HD11 ILE 25 3HD1 ILE 25 -9.112 -2.418 -6.420 190 HD12 ILE 25 1HD1 ILE 25 -9.853 -4.011 -6.265 191 HD13 ILE 25 2HD1 ILE 25 -8.393 -3.632 -5.355 192 H HIS 26 H HIS 26 -9.551 -0.991 -0.376 193 HA HIS 26 HA HIS 26 -8.586 1.812 -0.497 194 HB2 HIS 26 1HB HIS 26 -8.896 0.124 2.034 195 HB3 HIS 26 2HB HIS 26 -8.655 1.864 1.926 196 HD1 HIS 26 HD1 HIS 26 -10.898 0.602 3.606 197 HD2 HIS 26 HD2 HIS 26 -11.411 1.946 -0.291 198 HE1 HIS 26 HE1 HIS 26 -13.340 1.102 3.386 199 HE2 HIS 26 HE2 HIS 26 -13.596 2.066 1.081 200 H ILE 27 H ILE 27 -6.346 2.035 -0.272 201 HA ILE 27 HA ILE 27 -4.709 -0.314 0.450 202 HB ILE 27 HB ILE 27 -3.973 1.803 -1.643 203 HG12 ILE 27 1HG1 ILE 27 -4.650 -1.154 -2.095 204 HG13 ILE 27 2HG1 ILE 27 -5.704 0.198 -2.496 205 HG21 ILE 27 1HG2 ILE 27 -2.433 -0.678 -0.762 206 HG22 ILE 27 2HG2 ILE 27 -2.006 0.994 -0.397 207 HG23 ILE 27 3HG2 ILE 27 -1.955 0.419 -2.062 208 HD11 ILE 27 3HD1 ILE 27 -4.597 -0.667 -4.462 209 HD12 ILE 27 1HD1 ILE 27 -3.014 -0.377 -3.741 210 HD13 ILE 27 2HD1 ILE 27 -4.067 0.984 -4.144 211 H ARG 28 H ARG 28 -4.143 0.236 2.456 212 HA ARG 28 HA ARG 28 -3.301 2.954 3.190 213 HB2 ARG 28 1HB ARG 28 -3.606 0.511 5.004 214 HB3 ARG 28 2HB ARG 28 -3.420 2.190 5.510 215 HG2 ARG 28 1HG ARG 28 -5.656 2.717 4.640 216 HG3 ARG 28 2HG ARG 28 -5.830 1.066 4.044 217 HD2 ARG 28 1HD ARG 28 -5.392 0.407 6.572 218 HD3 ARG 28 2HD ARG 28 -5.885 2.075 6.888 219 HE ARG 28 HE ARG 28 -7.748 0.682 5.206 220 HH11 ARG 28 1HH1 ARG 28 -6.900 1.259 8.568 221 HH12 ARG 28 2HH1 ARG 28 -8.396 0.632 9.177 222 HH21 ARG 28 1HH2 ARG 28 -9.689 -0.161 6.029 223 HH22 ARG 28 2HH2 ARG 28 -9.962 -0.173 7.744 224 H TYR 29 H TYR 29 -1.145 3.368 3.646 225 HA TYR 29 HA TYR 29 0.644 1.062 4.138 226 HB2 TYR 29 1HB TYR 29 2.519 2.234 3.084 227 HB3 TYR 29 2HB TYR 29 1.221 2.014 1.931 228 HD1 TYR 29 HD2 TYR 29 -0.025 3.992 1.049 229 HD2 TYR 29 HD1 TYR 29 3.239 4.486 3.772 230 HE1 TYR 29 HE2 TYR 29 0.128 6.368 0.446 231 HE2 TYR 29 HE1 TYR 29 3.383 6.861 3.164 232 HH TYR 29 HH TYR 29 2.762 8.323 1.309 233 H GLU 30 H GLU 30 1.311 1.074 6.160 234 HA GLU 30 HA GLU 30 1.483 3.616 7.684 235 HB2 GLU 30 1HB GLU 30 0.584 0.913 8.801 236 HB3 GLU 30 2HB GLU 30 0.564 2.469 9.632 237 HG2 GLU 30 1HG GLU 30 -1.196 3.261 8.084 238 HG3 GLU 30 2HG GLU 30 -1.176 1.706 7.254 239 H VAL 31 H VAL 31 3.609 3.922 8.122 240 HA VAL 31 HA VAL 31 5.519 1.750 8.204 241 HB VAL 31 HB VAL 31 5.938 4.722 8.820 242 HG11 VAL 31 1HG1 VAL 31 8.001 2.543 8.273 243 HG12 VAL 31 2HG1 VAL 31 7.710 3.333 9.825 244 HG13 VAL 31 3HG1 VAL 31 8.353 4.264 8.472 245 HG21 VAL 31 3HG2 VAL 31 6.865 4.894 6.533 246 HG22 VAL 31 1HG2 VAL 31 5.176 4.381 6.497 247 HG23 VAL 31 2HG2 VAL 31 6.463 3.204 6.230 248 H ARG 32 H ARG 32 5.773 0.569 9.959 249 HA ARG 32 HA ARG 32 5.622 1.732 12.680 250 HB2 ARG 32 1HB ARG 32 3.757 0.031 11.911 251 HB3 ARG 32 2HB ARG 32 5.012 -1.188 12.018 252 HG2 ARG 32 1HG ARG 32 4.470 0.548 14.414 253 HG3 ARG 32 2HG ARG 32 3.321 -0.729 14.025 254 HD2 ARG 32 1HD ARG 32 5.241 -2.359 14.133 255 HD3 ARG 32 2HD ARG 32 6.262 -1.039 14.718 256 HE ARG 32 HE ARG 32 3.831 -2.013 16.124 257 HH11 ARG 32 1HH1 ARG 32 7.143 -0.835 16.308 258 HH12 ARG 32 2HH1 ARG 32 7.175 -0.875 18.038 259 HH21 ARG 32 1HH2 ARG 32 3.919 -2.052 18.394 260 HH22 ARG 32 2HH2 ARG 32 5.363 -1.549 19.209 261 H GLN 33 H GLN 33 7.208 0.618 14.177 262 HA GLN 33 HA GLN 33 9.662 -0.100 12.691 263 HB2 GLN 33 1HB GLN 33 9.474 0.987 15.519 264 HB3 GLN 33 2HB GLN 33 10.937 0.798 14.570 265 HG2 GLN 33 1HG GLN 33 8.678 2.734 13.957 266 HG3 GLN 33 2HG GLN 33 10.187 3.155 14.766 267 HE21 GLN 33 2HE2 GLN 33 8.671 2.417 11.722 268 HE22 GLN 33 1HE2 GLN 33 10.004 2.851 10.720 269 H ASN 34 H ASN 34 10.259 -2.201 12.812 270 HA ASN 34 HA ASN 34 9.546 -3.860 15.137 271 HB2 ASN 34 1HB ASN 34 9.996 -5.808 13.740 272 HB3 ASN 34 2HB ASN 34 8.932 -4.731 12.837 273 HD21 ASN 34 2HD2 ASN 34 10.063 -3.340 11.175 274 HD22 ASN 34 1HD2 ASN 34 11.404 -4.025 10.349 275 H ALA 35 H ALA 35 11.198 -4.900 16.315 276 HA ALA 35 HA ALA 35 13.701 -3.557 16.556 277 HB1 ALA 35 3HB ALA 35 12.848 -6.221 17.739 278 HB2 ALA 35 1HB ALA 35 12.558 -4.632 18.453 279 HB3 ALA 35 2HB ALA 35 14.209 -5.231 18.280 280 H GLU 36 H GLU 36 12.717 -6.066 14.463 281 HA GLU 36 HA GLU 36 15.135 -7.587 14.334 282 HB2 GLU 36 1HB GLU 36 13.093 -8.728 13.882 283 HB3 GLU 36 2HB GLU 36 12.590 -7.532 12.699 284 HG2 GLU 36 1HG GLU 36 14.286 -8.314 11.137 285 HG3 GLU 36 2HG GLU 36 14.876 -9.480 12.320 286 H SER 37 H SER 37 13.731 -5.086 12.217 287 HA SER 37 HA SER 37 16.277 -4.862 10.728 288 HB2 SER 37 1HB SER 37 14.710 -6.338 9.449 289 HB3 SER 37 2HB SER 37 13.528 -5.031 9.415 290 HG SER 37 HG SER 37 15.352 -5.463 7.643 291 H GLY 38 H GLY 38 13.771 -3.323 12.383 292 HA2 GLY 38 1HA GLY 38 13.868 -1.056 13.045 293 HA3 GLY 38 2HA GLY 38 14.725 -0.657 11.559 294 H ALA 39 H ALA 39 13.499 0.572 10.276 295 HA ALA 39 HA ALA 39 10.684 0.846 10.472 296 HB1 ALA 39 3HB ALA 39 10.854 2.240 8.438 297 HB2 ALA 39 1HB ALA 39 12.500 1.665 8.149 298 HB3 ALA 39 2HB ALA 39 12.136 2.633 9.580 299 H TYR 40 H TYR 40 9.076 -0.325 9.637 300 HA TYR 40 HA TYR 40 9.321 -1.649 7.033 301 HB2 TYR 40 1HB TYR 40 8.489 -3.770 7.665 302 HB3 TYR 40 2HB TYR 40 9.622 -3.412 8.954 303 HD1 TYR 40 HD1 TYR 40 8.647 -2.556 11.205 304 HD2 TYR 40 HD2 TYR 40 6.203 -4.316 8.175 305 HE1 TYR 40 HE1 TYR 40 6.916 -3.027 12.875 306 HE2 TYR 40 HE2 TYR 40 4.466 -4.781 9.853 307 HH TYR 40 HH TYR 40 4.362 -5.128 12.344 308 H VAL 41 H VAL 41 7.099 -2.095 6.125 309 HA VAL 41 HA VAL 41 5.123 -0.146 7.169 310 HB VAL 41 HB VAL 41 5.373 -0.935 4.234 311 HG11 VAL 41 1HG1 VAL 41 3.904 1.353 5.594 312 HG12 VAL 41 2HG1 VAL 41 3.170 -0.085 4.882 313 HG13 VAL 41 3HG1 VAL 41 3.987 1.087 3.847 314 HG21 VAL 41 3HG2 VAL 41 7.457 0.206 4.852 315 HG22 VAL 41 1HG2 VAL 41 6.540 1.548 5.534 316 HG23 VAL 41 2HG2 VAL 41 6.477 1.227 3.799 317 H HIS 42 H HIS 42 3.277 -1.035 7.814 318 HA HIS 42 HA HIS 42 2.314 -3.629 6.928 319 HB2 HIS 42 1HB HIS 42 1.833 -3.187 9.242 320 HB3 HIS 42 2HB HIS 42 1.336 -1.534 8.916 321 HD1 HIS 42 HD1 HIS 42 -1.025 -1.484 9.703 322 HD2 HIS 42 HD2 HIS 42 -0.296 -4.804 7.317 323 HE1 HIS 42 HE1 HIS 42 -3.248 -2.616 9.415 324 HE2 HIS 42 HE2 HIS 42 -2.775 -4.655 8.025 325 H PHE 43 H PHE 43 1.576 -3.589 4.844 326 HA PHE 43 HA PHE 43 -0.040 -1.322 3.878 327 HB2 PHE 43 1HB PHE 43 0.906 -3.819 2.399 328 HB3 PHE 43 2HB PHE 43 0.057 -2.457 1.679 329 HD1 PHE 43 HD1 PHE 43 1.216 -0.261 1.418 330 HD2 PHE 43 HD2 PHE 43 3.296 -3.732 2.798 331 HE1 PHE 43 HE1 PHE 43 3.368 0.808 0.883 332 HE2 PHE 43 HE2 PHE 43 5.436 -2.650 2.266 333 HZ PHE 43 HZ PHE 43 5.481 -0.385 1.307 334 H ASP 44 H ASP 44 -2.143 -1.443 4.190 335 HA ASP 44 HA ASP 44 -3.484 -4.044 4.720 336 HB2 ASP 44 1HB ASP 44 -3.380 -2.382 6.622 337 HB3 ASP 44 2HB ASP 44 -4.267 -1.230 5.633 338 H MET 45 H MET 45 -5.160 -4.596 3.252 339 HA MET 45 HA MET 45 -6.332 -2.431 1.607 340 HB2 MET 45 1HB MET 45 -5.581 -5.251 0.701 341 HB3 MET 45 2HB MET 45 -6.524 -4.115 -0.258 342 HG2 MET 45 1HG MET 45 -4.591 -2.573 -0.316 343 HG3 MET 45 2HG MET 45 -3.651 -3.727 0.633 344 HE1 MET 45 3HE MET 45 -5.158 -4.593 -3.655 345 HE2 MET 45 1HE MET 45 -5.477 -3.080 -2.805 346 HE3 MET 45 2HE MET 45 -6.233 -4.578 -2.259 347 H ASP 46 H ASP 46 -8.517 -2.322 1.722 348 HA ASP 46 HA ASP 46 -10.154 -4.714 2.151 349 HB2 ASP 46 1HB ASP 46 -11.289 -3.993 4.124 350 HB3 ASP 46 2HB ASP 46 -9.584 -3.765 4.473 351 H GLY 47 H GLY 47 -12.390 -4.369 1.538 352 HA2 GLY 47 1HA GLY 47 -13.656 -1.970 0.874 353 HA3 GLY 47 2HA GLY 47 -12.807 -2.498 -0.579 354 H GLU 48 H GLU 48 -14.777 -2.970 -1.757 355 HA GLU 48 HA GLU 48 -15.706 -5.659 -1.193 356 HB2 GLU 48 1HB GLU 48 -18.118 -5.065 -1.368 357 HB3 GLU 48 2HB GLU 48 -17.337 -4.484 0.100 358 HG2 GLU 48 1HG GLU 48 -17.098 -2.222 -1.149 359 HG3 GLU 48 2HG GLU 48 -18.267 -2.877 -2.295 360 H ILE 49 H ILE 49 -15.041 -6.457 -2.979 361 HA ILE 49 HA ILE 49 -15.823 -5.398 -5.613 362 HB ILE 49 HB ILE 49 -14.070 -7.819 -5.026 363 HG12 ILE 49 1HG1 ILE 49 -13.338 -4.939 -5.776 364 HG13 ILE 49 2HG1 ILE 49 -13.022 -5.726 -4.233 365 HG21 ILE 49 1HG2 ILE 49 -15.118 -8.030 -7.233 366 HG22 ILE 49 2HG2 ILE 49 -13.413 -7.641 -7.434 367 HG23 ILE 49 3HG2 ILE 49 -14.635 -6.387 -7.661 368 HD11 ILE 49 3HD1 ILE 49 -11.472 -7.267 -5.375 369 HD12 ILE 49 1HD1 ILE 49 -11.009 -5.575 -5.539 370 HD13 ILE 49 2HD1 ILE 49 -11.769 -6.412 -6.890 371 H ASP 50 H ASP 50 -17.324 -6.134 -6.907 372 HA ASP 50 HA ASP 50 -19.240 -7.051 -7.635 373 HB2 ASP 50 1HB ASP 50 -17.879 -9.166 -7.867 374 HB3 ASP 50 2HB ASP 50 -18.333 -9.609 -6.227 375 H GLY 51 H GLY 51 -18.893 -5.663 -5.088 376 HA2 GLY 51 1HA GLY 51 -20.247 -4.903 -3.399 377 HA3 GLY 51 2HA GLY 51 -21.449 -6.115 -3.816 378 H LYS 52 H LYS 52 -18.442 -7.590 -3.447 379 HA LYS 52 HA LYS 52 -19.278 -8.811 -0.937 380 HB2 LYS 52 1HB LYS 52 -17.226 -9.700 -2.984 381 HB3 LYS 52 2HB LYS 52 -17.754 -10.641 -1.583 382 HG2 LYS 52 1HG LYS 52 -20.083 -10.648 -2.531 383 HG3 LYS 52 2HG LYS 52 -19.455 -9.854 -3.979 384 HD2 LYS 52 1HD LYS 52 -18.619 -12.596 -2.943 385 HD3 LYS 52 2HD LYS 52 -19.725 -12.303 -4.287 386 HE2 LYS 52 1HE LYS 52 -17.827 -11.113 -5.472 387 HE3 LYS 52 2HE LYS 52 -16.757 -11.649 -4.175 388 HZ1 LYS 52 3HZ LYS 52 -16.669 -13.126 -6.081 389 HZ2 LYS 52 1HZ LYS 52 -18.328 -13.423 -5.962 390 HZ3 LYS 52 2HZ LYS 52 -17.289 -13.936 -4.732 391 HA PRO 53 HA PRO 53 -16.066 -6.214 0.944 392 HB2 PRO 53 1HB PRO 53 -16.488 -7.009 3.558 393 HB3 PRO 53 2HB PRO 53 -17.482 -5.805 2.724 394 HG2 PRO 53 1HG PRO 53 -18.011 -8.746 3.130 395 HG3 PRO 53 2HG PRO 53 -19.119 -7.368 3.333 396 HD2 PRO 53 1HD PRO 53 -19.173 -8.897 1.108 397 HD3 PRO 53 2HD PRO 53 -19.469 -7.146 1.027 398 H PHE 54 H PHE 54 -13.967 -6.534 1.598 399 HA PHE 54 HA PHE 54 -12.967 -9.200 2.272 400 HB2 PHE 54 1HB PHE 54 -11.344 -9.344 0.501 401 HB3 PHE 54 2HB PHE 54 -12.890 -9.032 -0.263 402 HD1 PHE 54 HD1 PHE 54 -13.370 -6.695 -1.173 403 HD2 PHE 54 HD2 PHE 54 -9.479 -7.851 0.185 404 HE1 PHE 54 HE1 PHE 54 -12.369 -4.814 -2.407 405 HE2 PHE 54 HE2 PHE 54 -8.491 -5.962 -1.046 406 HZ PHE 54 HZ PHE 54 -9.935 -4.443 -2.342 407 H SER 55 H SER 55 -10.861 -9.160 3.196 408 HA SER 55 HA SER 55 -9.511 -6.599 3.583 409 HB2 SER 55 1HB SER 55 -10.498 -8.287 5.910 410 HB3 SER 55 2HB SER 55 -9.369 -6.947 6.070 411 HG SER 55 HG SER 55 -11.377 -5.967 4.746 412 H ASP 56 H ASP 56 -7.396 -6.845 3.551 413 HA ASP 56 HA ASP 56 -6.008 -9.369 4.070 414 HB2 ASP 56 1HB ASP 56 -5.802 -7.783 1.458 415 HB3 ASP 56 2HB ASP 56 -4.651 -9.027 1.935 416 H SER 57 H SER 57 -3.696 -9.035 4.355 417 HA SER 57 HA SER 57 -2.631 -6.312 4.366 418 HB2 SER 57 1HB SER 57 -2.562 -8.071 6.866 419 HB3 SER 57 2HB SER 57 -1.705 -6.543 6.674 420 HG SER 57 HG SER 57 -4.151 -5.932 6.124 421 H PHE 58 H PHE 58 -0.522 -6.270 3.798 422 HA PHE 58 HA PHE 58 1.192 -8.637 4.073 423 HB2 PHE 58 1HB PHE 58 2.199 -8.237 1.820 424 HB3 PHE 58 2HB PHE 58 0.525 -8.747 1.730 425 HD1 PHE 58 HD2 PHE 58 -1.253 -7.088 1.075 426 HD2 PHE 58 HD1 PHE 58 2.908 -6.095 0.912 427 HE1 PHE 58 HE2 PHE 58 -1.758 -5.192 -0.414 428 HE2 PHE 58 HE1 PHE 58 2.391 -4.201 -0.574 429 HZ PHE 58 HZ PHE 58 0.061 -3.748 -1.241 430 H GLU 59 H GLU 59 3.228 -8.112 4.735 431 HA GLU 59 HA GLU 59 3.744 -5.254 5.329 432 HB2 GLU 59 1HB GLU 59 4.391 -7.690 7.055 433 HB3 GLU 59 2HB GLU 59 5.035 -6.084 7.358 434 HG2 GLU 59 1HG GLU 59 3.222 -6.345 8.848 435 HG3 GLU 59 2HG GLU 59 2.657 -5.263 7.589 436 H LEU 60 H LEU 60 5.553 -4.469 4.508 437 HA LEU 60 HA LEU 60 7.713 -6.274 3.596 438 HB2 LEU 60 1HB LEU 60 6.693 -3.823 2.106 439 HB3 LEU 60 2HB LEU 60 8.024 -4.846 1.606 440 HG LEU 60 HG LEU 60 5.099 -5.702 1.717 441 HD11 LEU 60 1HD1 LEU 60 5.174 -5.673 -0.744 442 HD12 LEU 60 2HD1 LEU 60 6.820 -5.032 -0.696 443 HD13 LEU 60 3HD1 LEU 60 5.477 -4.070 -0.074 444 HD21 LEU 60 3HD2 LEU 60 5.836 -7.735 0.544 445 HD22 LEU 60 1HD2 LEU 60 6.607 -7.594 2.123 446 HD23 LEU 60 2HD2 LEU 60 7.518 -7.210 0.660 447 HA PRO 61 HA PRO 61 10.009 -3.341 6.263 448 HB2 PRO 61 1HB PRO 61 12.542 -4.251 5.666 449 HB3 PRO 61 2HB PRO 61 11.449 -5.095 6.777 450 HG2 PRO 61 1HG PRO 61 11.942 -5.621 3.838 451 HG3 PRO 61 2HG PRO 61 11.924 -6.777 5.193 452 HD2 PRO 61 1HD PRO 61 9.772 -6.501 3.614 453 HD3 PRO 61 2HD PRO 61 9.574 -6.732 5.367 454 H ARG 62 H ARG 62 11.558 -1.566 5.936 455 HA ARG 62 HA ARG 62 11.373 0.057 3.767 456 HB2 ARG 62 1HB ARG 62 12.410 0.692 5.929 457 HB3 ARG 62 2HB ARG 62 13.840 -0.253 5.532 458 HG2 ARG 62 1HG ARG 62 14.392 1.277 3.703 459 HG3 ARG 62 2HG ARG 62 12.892 2.168 3.958 460 HD2 ARG 62 1HD ARG 62 13.686 2.824 6.215 461 HD3 ARG 62 2HD ARG 62 15.204 1.970 5.914 462 HE ARG 62 HE ARG 62 14.978 3.701 3.808 463 HH11 ARG 62 1HH1 ARG 62 14.978 4.188 7.293 464 HH12 ARG 62 2HH1 ARG 62 15.775 5.720 7.189 465 HH21 ARG 62 1HH2 ARG 62 15.971 5.720 3.705 466 HH22 ARG 62 2HH2 ARG 62 16.308 6.593 5.161 467 H ASP 63 H ASP 63 13.361 -2.772 3.949 468 HA ASP 63 HA ASP 63 15.131 -2.336 1.765 469 HB2 ASP 63 1HB ASP 63 15.495 -4.024 3.569 470 HB3 ASP 63 2HB ASP 63 14.151 -4.971 2.947 471 H THR 64 H THR 64 11.796 -3.600 1.900 472 HA THR 64 HA THR 64 11.828 -4.204 -0.999 473 HB THR 64 HB THR 64 10.432 -6.237 -0.577 474 HG1 THR 64 HG1 THR 64 10.494 -6.988 1.696 475 HG21 THR 64 3HG2 THR 64 12.883 -6.544 -0.812 476 HG22 THR 64 1HG2 THR 64 12.191 -7.720 0.307 477 HG23 THR 64 2HG2 THR 64 13.078 -6.326 0.930 478 H ALA 65 H ALA 65 10.515 -2.285 1.258 479 HA ALA 65 HA ALA 65 7.738 -2.446 1.161 480 HB1 ALA 65 3HB ALA 65 9.394 0.092 1.400 481 HB2 ALA 65 1HB ALA 65 8.962 -0.987 2.730 482 HB3 ALA 65 2HB ALA 65 7.704 -0.091 1.877 483 H PHE 66 H PHE 66 9.914 -0.848 -1.004 484 HA PHE 66 HA PHE 66 8.054 0.557 -2.611 485 HB2 PHE 66 1HB PHE 66 10.884 -0.247 -3.383 486 HB3 PHE 66 2HB PHE 66 9.960 1.118 -4.005 487 HD1 PHE 66 HD2 PHE 66 9.085 2.811 -2.116 488 HD2 PHE 66 HD1 PHE 66 12.444 0.197 -1.683 489 HE1 PHE 66 HE2 PHE 66 9.961 4.223 -0.307 490 HE2 PHE 66 HE1 PHE 66 13.305 1.609 0.129 491 HZ PHE 66 HZ PHE 66 12.067 3.623 0.818 492 H ASN 67 H ASN 67 8.401 -2.743 -2.542 493 HA ASN 67 HA ASN 67 7.842 -3.228 -5.394 494 HB2 ASN 67 1HB ASN 67 8.214 -5.130 -3.034 495 HB3 ASN 67 2HB ASN 67 7.810 -5.668 -4.664 496 HD21 ASN 67 2HD2 ASN 67 10.286 -4.233 -2.654 497 HD22 ASN 67 1HD2 ASN 67 11.605 -4.537 -3.720 498 H PHE 68 H PHE 68 6.125 -2.200 -2.825 499 HA PHE 68 HA PHE 68 4.016 -3.887 -2.363 500 HB2 PHE 68 1HB PHE 68 2.846 -2.052 -1.353 501 HB3 PHE 68 2HB PHE 68 4.559 -1.829 -1.042 502 HD1 PHE 68 HD1 PHE 68 5.843 -0.098 -2.466 503 HD2 PHE 68 HD2 PHE 68 1.572 -0.328 -2.421 504 HE1 PHE 68 HE1 PHE 68 5.709 2.191 -3.355 505 HE2 PHE 68 HE2 PHE 68 1.455 1.957 -3.316 506 HZ PHE 68 HZ PHE 68 3.513 3.220 -3.778 507 H ALA 69 H ALA 69 4.286 -1.613 -5.131 508 HA ALA 69 HA ALA 69 1.596 -1.390 -5.813 509 HB1 ALA 69 3HB ALA 69 3.989 -1.379 -7.686 510 HB2 ALA 69 1HB ALA 69 3.360 0.005 -6.793 511 HB3 ALA 69 2HB ALA 69 2.382 -0.742 -8.054 512 H SER 70 H SER 70 3.843 -4.003 -6.436 513 HA SER 70 HA SER 70 2.316 -5.265 -8.525 514 HB2 SER 70 1HB SER 70 4.604 -6.340 -6.815 515 HB3 SER 70 2HB SER 70 4.010 -7.062 -8.315 516 HG SER 70 HG SER 70 5.927 -5.598 -8.402 517 H ASP 71 H ASP 71 2.778 -5.720 -5.012 518 HA ASP 71 HA ASP 71 1.037 -7.964 -4.713 519 HB2 ASP 71 1HB ASP 71 1.865 -5.918 -2.612 520 HB3 ASP 71 2HB ASP 71 1.173 -7.504 -2.288 521 H ALA 72 H ALA 72 0.569 -4.571 -3.766 522 HA ALA 72 HA ALA 72 -2.075 -4.372 -3.226 523 HB1 ALA 72 3HB ALA 72 -0.476 -2.311 -4.784 524 HB2 ALA 72 1HB ALA 72 -0.485 -2.500 -3.028 525 HB3 ALA 72 2HB ALA 72 -1.956 -2.009 -3.870 526 H THR 73 H THR 73 -0.698 -4.675 -6.438 527 HA THR 73 HA THR 73 -3.273 -4.430 -7.797 528 HB THR 73 HB THR 73 -0.609 -5.404 -8.922 529 HG1 THR 73 HG1 THR 73 -0.952 -3.105 -8.202 530 HG21 THR 73 3HG2 THR 73 -3.170 -4.641 -10.401 531 HG22 THR 73 1HG2 THR 73 -2.512 -6.277 -10.269 532 HG23 THR 73 2HG2 THR 73 -1.626 -5.038 -11.154 533 H ARG 74 H ARG 74 -1.126 -7.083 -6.761 534 HA ARG 74 HA ARG 74 -2.466 -9.207 -8.070 535 HB2 ARG 74 1HB ARG 74 -0.129 -9.366 -7.206 536 HB3 ARG 74 2HB ARG 74 -0.743 -9.345 -5.555 537 HG2 ARG 74 1HG ARG 74 -1.930 -11.482 -5.981 538 HG3 ARG 74 2HG ARG 74 -1.301 -11.497 -7.630 539 HD2 ARG 74 1HD ARG 74 0.415 -11.577 -5.117 540 HD3 ARG 74 2HD ARG 74 -0.042 -12.989 -6.077 541 HE ARG 74 HE ARG 74 1.260 -10.996 -7.668 542 HH11 ARG 74 1HH1 ARG 74 1.934 -13.565 -5.359 543 HH12 ARG 74 2HH1 ARG 74 3.519 -13.869 -5.988 544 HH21 ARG 74 1HH2 ARG 74 3.354 -11.421 -8.468 545 HH22 ARG 74 2HH2 ARG 74 4.322 -12.662 -7.737 546 H VAL 75 H VAL 75 -2.821 -7.912 -4.785 547 HA VAL 75 HA VAL 75 -4.823 -9.678 -3.825 548 HB VAL 75 HB VAL 75 -4.133 -6.838 -2.927 549 HG11 VAL 75 1HG1 VAL 75 -5.252 -7.399 -0.780 550 HG12 VAL 75 2HG1 VAL 75 -5.773 -8.947 -1.456 551 HG13 VAL 75 3HG1 VAL 75 -6.379 -7.434 -2.136 552 HG21 VAL 75 3HG2 VAL 75 -2.812 -7.902 -1.127 553 HG22 VAL 75 1HG2 VAL 75 -2.217 -8.382 -2.719 554 HG23 VAL 75 2HG2 VAL 75 -3.200 -9.502 -1.772 555 H ALA 76 H ALA 76 -4.867 -6.600 -5.545 556 HA ALA 76 HA ALA 76 -7.586 -5.884 -5.231 557 HB1 ALA 76 3HB ALA 76 -5.854 -4.263 -5.890 558 HB2 ALA 76 1HB ALA 76 -7.140 -4.308 -7.097 559 HB3 ALA 76 2HB ALA 76 -5.604 -5.120 -7.412 560 H GLN 77 H GLN 77 -5.827 -7.633 -7.711 561 HA GLN 77 HA GLN 77 -8.102 -7.869 -9.507 562 HB2 GLN 77 1HB GLN 77 -6.601 -8.995 -11.053 563 HB3 GLN 77 2HB GLN 77 -5.819 -7.547 -10.425 564 HG2 GLN 77 1HG GLN 77 -4.465 -8.910 -8.906 565 HG3 GLN 77 2HG GLN 77 -5.281 -10.373 -9.458 566 HE21 GLN 77 2HE2 GLN 77 -3.304 -11.273 -10.088 567 HE22 GLN 77 1HE2 GLN 77 -2.478 -10.760 -11.514 568 H LYS 78 H LYS 78 -6.370 -9.893 -7.194 569 HA LYS 78 HA LYS 78 -7.224 -12.450 -7.670 570 HB2 LYS 78 1HB LYS 78 -5.603 -11.851 -5.953 571 HB3 LYS 78 2HB LYS 78 -6.820 -10.955 -5.058 572 HG2 LYS 78 1HG LYS 78 -8.019 -13.263 -4.807 573 HG3 LYS 78 2HG LYS 78 -6.470 -13.949 -5.303 574 HD2 LYS 78 1HD LYS 78 -6.648 -13.882 -2.846 575 HD3 LYS 78 2HD LYS 78 -5.353 -12.816 -3.395 576 HE2 LYS 78 1HE LYS 78 -6.794 -10.853 -3.103 577 HE3 LYS 78 2HE LYS 78 -8.163 -11.885 -2.681 578 HZ1 LYS 78 3HZ LYS 78 -5.665 -11.556 -1.125 579 HZ2 LYS 78 1HZ LYS 78 -6.923 -12.602 -0.723 580 HZ3 LYS 78 2HZ LYS 78 -7.183 -10.934 -0.726 581 H HIS 79 H HIS 79 -8.950 -9.947 -5.786 582 HA HIS 79 HA HIS 79 -11.079 -11.764 -5.050 583 HB2 HIS 79 1HB HIS 79 -10.086 -9.865 -3.582 584 HB3 HIS 79 2HB HIS 79 -11.111 -8.777 -4.508 585 HD1 HIS 79 HD1 HIS 79 -11.355 -11.753 -2.188 586 HD2 HIS 79 HD2 HIS 79 -13.761 -8.690 -3.619 587 HE1 HIS 79 HE1 HIS 79 -13.511 -11.957 -0.931 588 HE2 HIS 79 HE2 HIS 79 -14.868 -9.967 -1.663 589 H GLY 80 H GLY 80 -10.648 -10.563 -7.989 590 HA2 GLY 80 1HA GLY 80 -12.358 -11.231 -9.550 591 HA3 GLY 80 2HA GLY 80 -13.574 -10.523 -8.496 592 H LEU 81 H LEU 81 -10.499 -9.384 -9.877 593 HA LEU 81 HA LEU 81 -11.862 -7.213 -11.310 594 HB2 LEU 81 1HB LEU 81 -11.329 -6.256 -9.108 595 HB3 LEU 81 2HB LEU 81 -9.675 -6.827 -9.222 596 HG LEU 81 HG LEU 81 -9.283 -5.241 -11.121 597 HD11 LEU 81 1HD1 LEU 81 -10.871 -3.441 -11.590 598 HD12 LEU 81 2HD1 LEU 81 -12.053 -4.176 -10.502 599 HD13 LEU 81 3HD1 LEU 81 -11.557 -5.019 -11.972 600 HD21 LEU 81 3HD2 LEU 81 -10.239 -3.911 -8.569 601 HD22 LEU 81 1HD2 LEU 81 -9.131 -3.220 -9.759 602 HD23 LEU 81 2HD2 LEU 81 -8.649 -4.636 -8.825 603 H HIS 82 H HIS 82 -10.610 -6.327 -12.981 604 HA HIS 82 HA HIS 82 -7.874 -7.053 -13.484 605 HB2 HIS 82 1HB HIS 82 -8.424 -7.943 -15.848 606 HB3 HIS 82 2HB HIS 82 -8.728 -9.041 -14.511 607 HD1 HIS 82 HD1 HIS 82 -11.289 -9.364 -13.817 608 HD2 HIS 82 HD2 HIS 82 -10.656 -7.391 -17.424 609 HE1 HIS 82 HE1 HIS 82 -13.497 -9.403 -15.003 610 HE2 HIS 82 HE2 HIS 82 -13.077 -8.272 -17.213 611 HA PRO 83 HA PRO 83 -9.413 -2.884 -14.741 612 HB2 PRO 83 1HB PRO 83 -7.626 -1.330 -13.444 613 HB3 PRO 83 2HB PRO 83 -8.915 -2.170 -12.567 614 HG2 PRO 83 1HG PRO 83 -6.001 -2.854 -12.777 615 HG3 PRO 83 2HG PRO 83 -7.103 -3.045 -11.400 616 HD2 PRO 83 1HD PRO 83 -6.346 -5.078 -13.227 617 HD3 PRO 83 2HD PRO 83 -7.685 -5.169 -12.065 618 H LYS 84 H LYS 84 -8.801 -3.553 -16.942 619 HA LYS 84 HA LYS 84 -6.116 -3.132 -17.898 620 HB2 LYS 84 1HB LYS 84 -8.696 -3.579 -19.468 621 HB3 LYS 84 2HB LYS 84 -7.076 -3.570 -20.170 622 HG2 LYS 84 1HG LYS 84 -6.500 -5.488 -18.621 623 HG3 LYS 84 2HG LYS 84 -8.202 -5.558 -18.167 624 HD2 LYS 84 1HD LYS 84 -7.242 -5.858 -21.043 625 HD3 LYS 84 2HD LYS 84 -7.395 -7.229 -19.950 626 HE2 LYS 84 1HE LYS 84 -9.365 -7.142 -21.336 627 HE3 LYS 84 2HE LYS 84 -9.835 -6.688 -19.701 628 HZ1 LYS 84 3HZ LYS 84 -10.846 -5.286 -21.404 629 HZ2 LYS 84 1HZ LYS 84 -9.315 -4.773 -21.911 630 HZ3 LYS 84 2HZ LYS 84 -9.870 -4.391 -20.361 631 H PHE 85 H PHE 85 -9.081 -1.176 -17.870 632 HA PHE 85 HA PHE 85 -7.826 1.050 -19.280 633 HB2 PHE 85 1HB PHE 85 -10.285 0.624 -19.472 634 HB3 PHE 85 2HB PHE 85 -10.475 0.965 -17.758 635 HD1 PHE 85 HD1 PHE 85 -9.551 2.495 -21.040 636 HD2 PHE 85 HD2 PHE 85 -10.679 3.246 -16.989 637 HE1 PHE 85 HE1 PHE 85 -9.858 4.880 -21.560 638 HE2 PHE 85 HE2 PHE 85 -10.986 5.625 -17.515 639 HZ PHE 85 HZ PHE 85 -10.577 6.448 -19.800 640 H GLY 86 H GLY 86 -8.464 0.065 -15.958 641 HA2 GLY 86 1HA GLY 86 -7.883 2.537 -14.659 642 HA3 GLY 86 2HA GLY 86 -7.934 0.951 -13.909 643 H ALA 87 H ALA 87 -5.937 -0.335 -15.372 644 HA ALA 87 HA ALA 87 -3.421 1.072 -15.082 645 HB1 ALA 87 3HB ALA 87 -3.912 0.476 -12.726 646 HB2 ALA 87 1HB ALA 87 -2.506 -0.404 -13.332 647 HB3 ALA 87 2HB ALA 87 -4.063 -1.222 -13.182 648 H ILE 88 H ILE 88 -3.320 0.479 -17.321 649 HA ILE 88 HA ILE 88 -3.409 -2.271 -18.179 650 HB ILE 88 HB ILE 88 -4.079 -0.351 -19.639 651 HG12 ILE 88 1HG1 ILE 88 -3.281 -2.666 -20.569 652 HG13 ILE 88 2HG1 ILE 88 -3.503 -1.336 -21.689 653 HG21 ILE 88 1HG2 ILE 88 -1.131 0.304 -19.823 654 HG22 ILE 88 2HG2 ILE 88 -2.398 1.292 -19.094 655 HG23 ILE 88 3HG2 ILE 88 -2.400 1.005 -20.835 656 HD11 ILE 88 3HD1 ILE 88 -1.094 -0.996 -21.799 657 HD12 ILE 88 1HD1 ILE 88 -1.516 -2.658 -22.201 658 HD13 ILE 88 2HD1 ILE 88 -0.839 -2.282 -20.618 659 H THR 89 H THR 89 -0.872 0.013 -17.293 660 HA THR 89 HA THR 89 1.290 -1.865 -17.939 661 HB THR 89 HB THR 89 1.522 0.919 -16.704 662 HG1 THR 89 HG1 THR 89 1.333 0.151 -19.447 663 HG21 THR 89 3HG2 THR 89 3.752 0.962 -17.755 664 HG22 THR 89 1HG2 THR 89 3.500 -0.659 -18.399 665 HG23 THR 89 2HG2 THR 89 3.619 -0.413 -16.654 666 H ARG 90 H ARG 90 -0.773 -1.283 -15.336 667 HA ARG 90 HA ARG 90 -0.947 -1.958 -13.203 668 HB2 ARG 90 1HB ARG 90 0.086 -4.080 -13.764 669 HB3 ARG 90 2HB ARG 90 1.694 -3.392 -13.707 670 HG2 ARG 90 1HG ARG 90 0.047 -3.367 -11.191 671 HG3 ARG 90 2HG ARG 90 0.729 -4.899 -11.729 672 HD2 ARG 90 1HD ARG 90 2.288 -2.364 -11.070 673 HD3 ARG 90 2HD ARG 90 2.194 -3.831 -10.081 674 HE ARG 90 HE ARG 90 3.134 -4.715 -12.489 675 HH11 ARG 90 1HH1 ARG 90 4.307 -2.354 -10.159 676 HH12 ARG 90 2HH1 ARG 90 5.948 -2.462 -10.703 677 HH21 ARG 90 1HH2 ARG 90 5.282 -4.849 -13.173 678 HH22 ARG 90 2HH2 ARG 90 6.504 -3.888 -12.400 679 H VAL 91 H VAL 91 2.535 -1.208 -13.575 680 HA VAL 91 HA VAL 91 2.579 0.596 -11.345 681 HB VAL 91 HB VAL 91 4.611 -0.598 -11.860 682 HG11 VAL 91 1HG1 VAL 91 5.921 -0.319 -13.930 683 HG12 VAL 91 2HG1 VAL 91 4.649 0.702 -14.604 684 HG13 VAL 91 3HG1 VAL 91 4.324 -0.998 -14.260 685 HG21 VAL 91 3HG2 VAL 91 5.008 2.350 -12.515 686 HG22 VAL 91 1HG2 VAL 91 6.268 1.238 -11.973 687 HG23 VAL 91 2HG2 VAL 91 4.929 1.646 -10.898 688 H HIS 92 H HIS 92 1.348 2.337 -11.501 689 HA HIS 92 HA HIS 92 0.708 3.845 -13.845 690 HB2 HIS 92 1HB HIS 92 -0.729 3.661 -11.778 691 HB3 HIS 92 2HB HIS 92 0.450 4.619 -10.894 692 HD1 HIS 92 HD1 HIS 92 -1.719 5.020 -14.007 693 HD2 HIS 92 HD2 HIS 92 -0.263 7.263 -10.830 694 HE1 HIS 92 HE1 HIS 92 -2.717 7.303 -14.282 695 HE2 HIS 92 HE2 HIS 92 -1.929 8.603 -12.278 696 H LYS 93 H LYS 93 1.324 6.143 -14.245 697 HA LYS 93 HA LYS 93 4.037 6.877 -13.740 698 HB2 LYS 93 1HB LYS 93 3.476 9.043 -14.723 699 HB3 LYS 93 2HB LYS 93 2.741 7.760 -15.677 700 HG2 LYS 93 1HG LYS 93 0.553 8.220 -14.570 701 HG3 LYS 93 2HG LYS 93 1.302 9.553 -13.680 702 HD2 LYS 93 1HD LYS 93 1.842 10.668 -15.847 703 HD3 LYS 93 2HD LYS 93 1.055 9.346 -16.716 704 HE2 LYS 93 1HE LYS 93 -0.449 11.259 -16.572 705 HE3 LYS 93 2HE LYS 93 -1.091 9.931 -15.608 706 HZ1 LYS 93 3HZ LYS 93 -0.238 11.011 -13.618 707 HZ2 LYS 93 1HZ LYS 93 -1.276 12.039 -14.464 708 HZ3 LYS 93 2HZ LYS 93 0.391 12.276 -14.548 709 H GLU 94 H GLU 94 4.340 9.290 -12.696 710 HA GLU 94 HA GLU 94 4.798 10.276 -10.713 711 HB2 GLU 94 1HB GLU 94 2.935 11.307 -9.553 712 HB3 GLU 94 2HB GLU 94 2.613 11.313 -11.276 713 HG2 GLU 94 1HG GLU 94 1.203 9.151 -10.724 714 HG3 GLU 94 2HG GLU 94 1.238 9.776 -9.084 715 H TYR 95 H TYR 95 4.690 7.277 -10.705 716 HA TYR 95 HA TYR 95 4.026 6.395 -8.063 717 HB2 TYR 95 1HB TYR 95 3.960 4.872 -10.022 718 HB3 TYR 95 2HB TYR 95 5.691 5.073 -10.253 719 HD1 TYR 95 HD2 TYR 95 3.196 3.891 -7.713 720 HD2 TYR 95 HD1 TYR 95 7.179 3.523 -9.210 721 HE1 TYR 95 HE2 TYR 95 3.600 2.006 -6.197 722 HE2 TYR 95 HE1 TYR 95 7.584 1.640 -7.686 723 HH TYR 95 HH TYR 95 6.702 0.722 -5.600 724 H ASP 96 H ASP 96 6.886 7.527 -9.759 725 HA ASP 96 HA ASP 96 8.837 6.997 -7.800 726 HB2 ASP 96 1HB ASP 96 9.247 7.645 -10.225 727 HB3 ASP 96 2HB ASP 96 8.822 9.297 -9.800 728 H ALA 97 H ALA 97 6.467 9.584 -8.131 729 HA ALA 97 HA ALA 97 7.523 11.345 -6.132 730 HB1 ALA 97 3HB ALA 97 5.949 12.134 -7.863 731 HB2 ALA 97 1HB ALA 97 5.319 12.467 -6.246 732 HB3 ALA 97 2HB ALA 97 4.682 11.115 -7.187 733 H MET 98 H MET 98 4.865 8.939 -6.095 734 HA MET 98 HA MET 98 4.315 8.935 -3.343 735 HB2 MET 98 1HB MET 98 2.851 7.884 -5.043 736 HB3 MET 98 2HB MET 98 4.070 6.651 -5.344 737 HG2 MET 98 1HG MET 98 3.767 5.738 -3.109 738 HG3 MET 98 2HG MET 98 2.653 7.041 -2.687 739 HE1 MET 98 3HE MET 98 1.717 4.117 -2.105 740 HE2 MET 98 1HE MET 98 0.098 4.123 -2.807 741 HE3 MET 98 2HE MET 98 0.678 5.531 -1.919 742 H PHE 99 H PHE 99 6.593 7.070 -5.192 743 HA PHE 99 HA PHE 99 7.777 5.350 -3.373 744 HB2 PHE 99 1HB PHE 99 8.257 5.397 -5.820 745 HB3 PHE 99 2HB PHE 99 9.134 6.899 -5.628 746 HD1 PHE 99 HD1 PHE 99 11.325 6.854 -4.234 747 HD2 PHE 99 HD2 PHE 99 9.371 3.309 -5.629 748 HE1 PHE 99 HE1 PHE 99 13.419 5.588 -3.975 749 HE2 PHE 99 HE2 PHE 99 11.469 2.062 -5.360 750 HZ PHE 99 HZ PHE 99 13.489 3.194 -4.535 751 H GLU 100 H GLU 100 8.702 8.690 -4.155 752 HA GLU 100 HA GLU 100 10.767 8.982 -2.251 753 HB2 GLU 100 1HB GLU 100 9.117 10.977 -3.809 754 HB3 GLU 100 2HB GLU 100 10.376 11.488 -2.688 755 HG2 GLU 100 1HG GLU 100 10.848 9.661 -5.066 756 HG3 GLU 100 2HG GLU 100 11.083 11.410 -5.085 757 H ASP 101 H ASP 101 7.310 9.542 -2.104 758 HA ASP 101 HA ASP 101 7.224 11.034 0.304 759 HB2 ASP 101 1HB ASP 101 5.371 10.829 -1.435 760 HB3 ASP 101 2HB ASP 101 5.045 9.213 -0.822 761 H ILE 102 H ILE 102 6.649 7.579 -0.352 762 HA ILE 102 HA ILE 102 6.437 6.686 2.303 763 HB ILE 102 HB ILE 102 7.292 5.088 -0.158 764 HG12 ILE 102 1HG1 ILE 102 4.530 5.557 1.069 765 HG13 ILE 102 2HG1 ILE 102 5.100 6.182 -0.471 766 HG21 ILE 102 1HG2 ILE 102 6.194 4.043 2.490 767 HG22 ILE 102 2HG2 ILE 102 7.855 3.870 1.924 768 HG23 ILE 102 3HG2 ILE 102 6.547 3.066 1.060 769 HD11 ILE 102 3HD1 ILE 102 3.585 4.350 -0.811 770 HD12 ILE 102 1HD1 ILE 102 4.563 3.292 0.207 771 HD13 ILE 102 2HD1 ILE 102 5.201 3.875 -1.333 772 H ARG 103 H ARG 103 9.324 6.960 0.207 773 HA ARG 103 HA ARG 103 11.090 5.577 1.986 774 HB2 ARG 103 1HB ARG 103 12.880 6.089 0.515 775 HB3 ARG 103 2HB ARG 103 11.474 5.881 -0.503 776 HG2 ARG 103 1HG ARG 103 12.439 7.681 -1.525 777 HG3 ARG 103 2HG ARG 103 11.359 8.509 -0.410 778 HD2 ARG 103 1HD ARG 103 13.159 9.070 1.062 779 HD3 ARG 103 2HD ARG 103 14.262 7.957 0.246 780 HE ARG 103 HE ARG 103 13.269 9.986 -1.522 781 HH11 ARG 103 1HH1 ARG 103 15.665 9.476 0.997 782 HH12 ARG 103 2HH1 ARG 103 16.782 10.620 0.329 783 HH21 ARG 103 1HH2 ARG 103 14.753 11.454 -2.393 784 HH22 ARG 103 2HH2 ARG 103 16.267 11.735 -1.593 785 H ALA 104 H ALA 104 10.045 8.880 1.706 786 HA ALA 104 HA ALA 104 11.944 10.063 3.508 787 HB1 ALA 104 3HB ALA 104 10.738 11.420 1.838 788 HB2 ALA 104 1HB ALA 104 10.414 12.008 3.471 789 HB3 ALA 104 2HB ALA 104 9.203 11.042 2.622 790 H LYS 105 H LYS 105 8.569 8.939 3.769 791 HA LYS 105 HA LYS 105 8.125 9.349 6.467 792 HB2 LYS 105 1HB LYS 105 6.426 8.779 4.675 793 HB3 LYS 105 2HB LYS 105 6.968 7.106 4.756 794 HG2 LYS 105 1HG LYS 105 4.923 7.402 6.047 795 HG3 LYS 105 2HG LYS 105 6.267 6.987 7.117 796 HD2 LYS 105 1HD LYS 105 6.520 9.466 7.615 797 HD3 LYS 105 2HD LYS 105 5.036 9.739 6.694 798 HE2 LYS 105 1HE LYS 105 4.543 9.650 9.071 799 HE3 LYS 105 2HE LYS 105 3.834 8.251 8.270 800 HZ1 LYS 105 3HZ LYS 105 5.637 6.902 9.057 801 HZ2 LYS 105 1HZ LYS 105 4.902 7.687 10.359 802 HZ3 LYS 105 2HZ LYS 105 6.388 8.237 9.774 803 H LEU 106 H LEU 106 9.580 6.575 4.857 804 HA LEU 106 HA LEU 106 9.826 4.841 7.056 805 HB2 LEU 106 1HB LEU 106 11.257 5.046 4.393 806 HB3 LEU 106 2HB LEU 106 11.802 3.859 5.567 807 HG LEU 106 HG LEU 106 8.914 3.943 4.609 808 HD11 LEU 106 1HD1 LEU 106 11.160 2.305 3.390 809 HD12 LEU 106 2HD1 LEU 106 10.300 3.635 2.612 810 HD13 LEU 106 3HD1 LEU 106 9.442 2.151 3.016 811 HD21 LEU 106 3HD2 LEU 106 8.915 1.590 5.377 812 HD22 LEU 106 1HD2 LEU 106 9.288 2.708 6.685 813 HD23 LEU 106 2HD2 LEU 106 10.578 1.771 5.930 814 H HIS 107 H HIS 107 11.826 7.525 6.041 815 HA HIS 107 HA HIS 107 14.074 7.080 7.768 816 HB2 HIS 107 1HB HIS 107 14.050 8.530 5.703 817 HB3 HIS 107 2HB HIS 107 13.033 9.681 6.548 818 HD1 HIS 107 HD1 HIS 107 15.346 10.991 5.490 819 HD2 HIS 107 HD2 HIS 107 15.627 8.990 9.113 820 HE1 HIS 107 HE1 HIS 107 17.378 11.932 6.628 821 HE2 HIS 107 HE2 HIS 107 17.485 10.749 8.846 822 H ALA 108 H ALA 108 10.841 8.075 8.302 823 HA ALA 108 HA ALA 108 9.589 8.725 10.071 824 HB1 ALA 108 3HB ALA 108 10.414 8.354 12.365 825 HB2 ALA 108 1HB ALA 108 12.058 8.150 11.753 826 HB3 ALA 108 2HB ALA 108 10.806 6.980 11.330 827 H HIS 109 H HIS 109 11.057 10.592 8.503 828 HA HIS 109 HA HIS 109 11.037 12.981 10.171 829 HB2 HIS 109 1HB HIS 109 13.527 11.880 8.814 830 HB3 HIS 109 2HB HIS 109 13.353 13.610 9.024 831 HD1 HIS 109 HD1 HIS 109 14.321 10.554 10.844 832 HD2 HIS 109 HD2 HIS 109 13.226 14.454 11.787 833 HE1 HIS 109 HE1 HIS 109 15.033 10.903 13.225 834 HE2 HIS 109 HE2 HIS 109 14.520 13.316 13.707 835 HA PRO 110 HA PRO 110 9.008 14.383 6.456 836 HB2 PRO 110 1HB PRO 110 9.195 17.117 6.723 837 HB3 PRO 110 2HB PRO 110 8.101 16.119 7.688 838 HG2 PRO 110 1HG PRO 110 10.803 17.227 8.422 839 HG3 PRO 110 2HG PRO 110 9.320 17.150 9.399 840 HD2 PRO 110 1HD PRO 110 11.363 15.360 9.692 841 HD3 PRO 110 2HD PRO 110 9.668 14.915 9.974 842 H GLY 111 H GLY 111 10.365 13.557 4.870 843 HA2 GLY 111 1HA GLY 111 12.839 14.884 4.066 844 HA3 GLY 111 2HA GLY 111 12.154 13.412 3.393 845 H GLU 112 H GLU 112 11.498 16.869 3.621 846 HA GLU 112 HA GLU 112 9.984 16.888 1.118 847 HB2 GLU 112 1HB GLU 112 9.519 19.294 1.784 848 HB3 GLU 112 2HB GLU 112 8.940 18.080 2.918 849 HG2 GLU 112 1HG GLU 112 10.933 18.512 4.356 850 HG3 GLU 112 2HG GLU 112 11.432 19.784 3.239 851 HA PRO 113 HA PRO 113 13.702 18.546 -1.021 852 HB2 PRO 113 1HB PRO 113 12.091 18.538 -3.490 853 HB3 PRO 113 2HB PRO 113 13.474 17.521 -3.083 854 HG2 PRO 113 1HG PRO 113 10.939 16.529 -3.291 855 HG3 PRO 113 2HG PRO 113 12.156 15.835 -2.199 856 HD2 PRO 113 1HD PRO 113 9.908 17.752 -1.545 857 HD3 PRO 113 2HD PRO 113 10.426 16.283 -0.678 858 H VAL 114 H VAL 114 14.082 20.501 -2.436 859 HA VAL 114 HA VAL 114 12.017 22.581 -2.398 860 HB VAL 114 HB VAL 114 13.227 22.783 -0.200 861 HG11 VAL 114 1HG1 VAL 114 15.567 23.539 -0.087 862 HG12 VAL 114 2HG1 VAL 114 15.709 23.404 -1.839 863 HG13 VAL 114 3HG1 VAL 114 15.450 21.956 -0.866 864 HG21 VAL 114 3HG2 VAL 114 13.678 25.137 -2.078 865 HG22 VAL 114 1HG2 VAL 114 13.678 25.219 -0.314 866 HG23 VAL 114 2HG2 VAL 114 12.200 24.790 -1.177 867 H ASP 115 H ASP 115 12.469 24.293 -3.878 868 HA ASP 115 HA ASP 115 14.681 23.803 -5.814 869 HB2 ASP 115 1HB ASP 115 12.322 23.354 -6.674 870 HB3 ASP 115 2HB ASP 115 11.950 25.053 -6.404 871 H LEU 116 H LEU 116 15.696 25.153 -3.976 872 HA LEU 116 HA LEU 116 15.401 28.044 -4.498 873 HB2 LEU 116 1HB LEU 116 16.965 28.344 -2.548 874 HB3 LEU 116 2HB LEU 116 15.447 27.560 -2.164 875 HG LEU 116 HG LEU 116 16.807 25.318 -2.286 876 HD11 LEU 116 1HD1 LEU 116 18.890 26.157 -3.255 877 HD12 LEU 116 2HD1 LEU 116 19.176 25.449 -1.669 878 HD13 LEU 116 3HD1 LEU 116 19.139 27.205 -1.855 879 HD21 LEU 116 3HD2 LEU 116 17.436 25.484 0.086 880 HD22 LEU 116 1HD2 LEU 116 15.851 26.195 -0.213 881 HD23 LEU 116 2HD2 LEU 116 17.255 27.240 0.022 882 H GLU 117 H GLU 117 17.446 25.351 -5.184 883 HA GLU 117 HA GLU 117 19.897 26.754 -5.646 884 HB2 GLU 117 1HB GLU 117 19.825 24.397 -4.928 885 HB3 GLU 117 2HB GLU 117 19.032 23.944 -6.431 886 HG2 GLU 117 1HG GLU 117 21.067 24.620 -7.688 887 HG3 GLU 117 2HG GLU 117 21.858 25.029 -6.166 888 H ARG 118 H ARG 118 17.230 25.727 -7.712 889 HA ARG 118 HA ARG 118 18.685 25.803 -10.179 890 HB2 ARG 118 1HB ARG 118 16.738 24.314 -9.796 891 HB3 ARG 118 2HB ARG 118 15.671 25.708 -9.685 892 HG2 ARG 118 1HG ARG 118 16.174 26.255 -12.054 893 HG3 ARG 118 2HG ARG 118 17.233 24.850 -12.152 894 HD2 ARG 118 1HD ARG 118 14.980 24.451 -13.154 895 HD3 ARG 118 2HD ARG 118 15.346 23.343 -11.829 896 HE ARG 118 HE ARG 118 14.015 25.124 -10.467 897 HH11 ARG 118 1HH1 ARG 118 13.165 23.993 -13.690 898 HH12 ARG 118 2HH1 ARG 118 11.466 24.202 -13.420 899 HH21 ARG 118 1HH2 ARG 118 11.832 25.366 -10.140 900 HH22 ARG 118 2HH2 ARG 118 10.706 24.971 -11.403 901 H ILE 119 H ILE 119 17.305 28.234 -8.254 902 HA ILE 119 HA ILE 119 16.667 30.163 -10.303 903 HB ILE 119 HB ILE 119 17.059 30.485 -7.281 904 HG12 ILE 119 1HG1 ILE 119 14.551 30.942 -7.331 905 HG13 ILE 119 2HG1 ILE 119 14.542 30.465 -9.021 906 HG21 ILE 119 1HG2 ILE 119 17.674 32.612 -8.331 907 HG22 ILE 119 2HG2 ILE 119 16.124 32.782 -7.511 908 HG23 ILE 119 3HG2 ILE 119 16.176 32.619 -9.267 909 HD11 ILE 119 3HD1 ILE 119 13.731 28.710 -7.575 910 HD12 ILE 119 1HD1 ILE 119 15.248 28.708 -6.679 911 HD13 ILE 119 2HD1 ILE 119 15.220 28.208 -8.374 912 H ILE 120 H ILE 120 19.310 29.814 -7.920 913 HA ILE 120 HA ILE 120 21.130 31.378 -9.672 914 HB ILE 120 HB ILE 120 21.302 31.019 -6.631 915 HG12 ILE 120 1HG1 ILE 120 20.579 33.525 -8.233 916 HG13 ILE 120 2HG1 ILE 120 19.442 32.557 -7.298 917 HG21 ILE 120 1HG2 ILE 120 23.168 32.660 -6.724 918 HG22 ILE 120 2HG2 ILE 120 23.061 32.680 -8.485 919 HG23 ILE 120 3HG2 ILE 120 23.538 31.203 -7.647 920 HD11 ILE 120 3HD1 ILE 120 20.044 34.574 -6.114 921 HD12 ILE 120 1HD1 ILE 120 21.757 34.158 -6.194 922 HD13 ILE 120 2HD1 ILE 120 20.647 33.168 -5.242 923 H ARG 121 H ARG 121 21.891 29.653 -10.884 924 HA ARG 121 HA ARG 121 23.229 27.421 -9.446 925 HB2 ARG 121 1HB ARG 121 21.005 27.245 -11.246 926 HB3 ARG 121 2HB ARG 121 22.382 26.640 -12.153 927 HG2 ARG 121 1HG ARG 121 21.474 25.605 -9.433 928 HG3 ARG 121 2HG ARG 121 21.109 24.844 -10.986 929 HD2 ARG 121 1HD ARG 121 23.497 24.442 -11.367 930 HD3 ARG 121 2HD ARG 121 23.903 25.269 -9.859 931 HE ARG 121 HE ARG 121 22.164 23.234 -9.151 932 HH11 ARG 121 1HH1 ARG 121 25.332 23.376 -10.694 933 HH12 ARG 121 2HH1 ARG 121 25.833 21.845 -10.054 934 HH21 ARG 121 1HH2 ARG 121 22.863 21.254 -8.298 935 HH22 ARG 121 2HH2 ARG 121 24.444 20.649 -8.695 936 H HIS 122 H HIS 122 23.160 29.247 -12.527 937 HA HIS 122 HA HIS 122 26.018 29.628 -12.451 938 HB2 HIS 122 1HB HIS 122 26.515 28.621 -14.662 939 HB3 HIS 122 2HB HIS 122 25.937 27.405 -13.535 940 HD1 HIS 122 HD1 HIS 122 23.642 26.290 -14.055 941 HD2 HIS 122 HD2 HIS 122 24.859 29.043 -16.924 942 HE1 HIS 122 HE1 HIS 122 22.172 25.889 -16.045 943 HE2 HIS 122 HE2 HIS 122 22.835 27.648 -17.712 944 H GLU 123 H GLU 123 26.532 31.557 -13.317 945 HA GLU 123 HA GLU 123 24.609 32.990 -15.042 946 HB2 GLU 123 1HB GLU 123 25.451 34.188 -13.005 947 HB3 GLU 123 2HB GLU 123 27.104 34.029 -13.600 948 HG2 GLU 123 1HG GLU 123 26.424 35.376 -15.624 949 HG3 GLU 123 2HG GLU 123 24.853 35.631 -14.870 950 H GLY 124 H GLY 124 28.149 32.527 -14.761 951 HA2 GLY 124 1HA GLY 124 28.441 31.859 -17.591 952 HA3 GLY 124 2HA GLY 124 29.174 33.379 -17.080 953 H SER 125 H SER 125 31.186 32.372 -17.751 954 HA SER 125 HA SER 125 33.210 31.446 -17.428 955 HB2 SER 125 1HB SER 125 32.394 31.192 -14.497 956 HB3 SER 125 2HB SER 125 34.040 31.124 -15.127 957 HG SER 125 HG SER 125 32.569 33.366 -15.834 Start of MODEL 16 1 H1 GLN 1 1H GLN 1 -11.532 13.715 -4.714 2 H2 GLN 1 2H GLN 1 -12.883 14.344 -3.932 3 H3 GLN 1 3H GLN 1 -12.749 14.481 -5.605 4 HA GLN 1 HA GLN 1 -12.975 11.945 -4.096 5 HB2 GLN 1 1HB GLN 1 -15.057 13.295 -4.010 6 HB3 GLN 1 2HB GLN 1 -15.069 13.414 -5.767 7 HG2 GLN 1 1HG GLN 1 -15.497 11.049 -5.995 8 HG3 GLN 1 2HG GLN 1 -15.255 10.778 -4.271 9 HE21 GLN 1 2HE2 GLN 1 -16.883 11.464 -2.813 10 HE22 GLN 1 1HE2 GLN 1 -18.495 11.788 -3.342 11 H GLY 2 H GLY 2 -12.820 10.078 -5.344 12 HA2 GLY 2 1HA GLY 2 -12.860 8.955 -7.510 13 HA3 GLY 2 2HA GLY 2 -12.084 10.365 -8.210 14 H HIS 3 H HIS 3 -9.969 10.980 -6.981 15 HA HIS 3 HA HIS 3 -8.376 8.589 -6.256 16 HB2 HIS 3 1HB HIS 3 -7.440 10.725 -8.240 17 HB3 HIS 3 2HB HIS 3 -6.515 9.317 -7.714 18 HD1 HIS 3 HD1 HIS 3 -9.191 10.397 -10.053 19 HD2 HIS 3 HD2 HIS 3 -7.390 6.842 -8.876 20 HE1 HIS 3 HE1 HIS 3 -9.971 8.680 -11.696 21 HE2 HIS 3 HE2 HIS 3 -8.758 6.570 -11.057 22 H MET 4 H MET 4 -7.925 9.069 -4.175 23 HA MET 4 HA MET 4 -6.940 11.786 -3.472 24 HB2 MET 4 1HB MET 4 -9.151 11.329 -2.442 25 HB3 MET 4 2HB MET 4 -8.531 9.853 -1.712 26 HG2 MET 4 1HG MET 4 -6.946 11.201 -0.363 27 HG3 MET 4 2HG MET 4 -7.590 12.673 -1.090 28 HE1 MET 4 3HE MET 4 -9.530 9.414 0.143 29 HE2 MET 4 1HE MET 4 -9.956 9.921 1.776 30 HE3 MET 4 2HE MET 4 -8.265 9.672 1.347 31 H PHE 5 H PHE 5 -4.768 11.559 -3.380 32 HA PHE 5 HA PHE 5 -3.628 9.404 -1.696 33 HB2 PHE 5 1HB PHE 5 -2.586 9.566 -3.934 34 HB3 PHE 5 2HB PHE 5 -2.220 11.272 -3.668 35 HD1 PHE 5 HD1 PHE 5 -1.674 7.946 -1.996 36 HD2 PHE 5 HD2 PHE 5 -0.024 11.785 -2.927 37 HE1 PHE 5 HE1 PHE 5 0.425 7.321 -0.895 38 HE2 PHE 5 HE2 PHE 5 2.079 11.137 -1.828 39 HZ PHE 5 HZ PHE 5 2.300 8.908 -0.810 40 H GLU 6 H GLU 6 -2.784 9.897 0.211 41 HA GLU 6 HA GLU 6 -1.904 12.597 0.930 42 HB2 GLU 6 1HB GLU 6 -3.184 12.523 3.063 43 HB3 GLU 6 2HB GLU 6 -4.274 12.472 1.678 44 HG2 GLU 6 1HG GLU 6 -4.444 10.003 1.941 45 HG3 GLU 6 2HG GLU 6 -3.425 10.101 3.372 46 HA PRO 7 HA PRO 7 1.426 10.294 3.029 47 HB2 PRO 7 1HB PRO 7 0.971 12.215 5.314 48 HB3 PRO 7 2HB PRO 7 2.481 11.765 4.505 49 HG2 PRO 7 1HG PRO 7 1.335 14.112 3.976 50 HG3 PRO 7 2HG PRO 7 2.059 13.158 2.661 51 HD2 PRO 7 1HD PRO 7 -0.850 13.494 3.382 52 HD3 PRO 7 2HD PRO 7 -0.085 13.411 1.778 53 H GLY 8 H GLY 8 0.704 8.313 3.629 54 HA2 GLY 8 1HA GLY 8 0.499 6.879 5.585 55 HA3 GLY 8 2HA GLY 8 -0.712 7.977 6.225 56 H HIS 9 H HIS 9 -1.851 8.130 3.318 57 HA HIS 9 HA HIS 9 -3.238 5.539 3.193 58 HB2 HIS 9 1HB HIS 9 -4.507 6.665 4.913 59 HB3 HIS 9 2HB HIS 9 -4.574 8.157 3.987 60 HD1 HIS 9 HD1 HIS 9 -6.814 8.544 3.033 61 HD2 HIS 9 HD2 HIS 9 -5.978 4.482 3.323 62 HE1 HIS 9 HE1 HIS 9 -8.869 7.372 2.217 63 HE2 HIS 9 HE2 HIS 9 -8.435 4.942 2.671 64 H LEU 10 H LEU 10 -4.024 5.064 1.226 65 HA LEU 10 HA LEU 10 -4.368 7.149 -0.844 66 HB2 LEU 10 1HB LEU 10 -2.431 5.729 -1.382 67 HB3 LEU 10 2HB LEU 10 -3.379 4.273 -1.122 68 HG LEU 10 HG LEU 10 -4.769 4.827 -3.125 69 HD11 LEU 10 1HD1 LEU 10 -2.859 7.159 -3.514 70 HD12 LEU 10 2HD1 LEU 10 -4.581 7.266 -3.134 71 HD13 LEU 10 3HD1 LEU 10 -4.063 6.606 -4.683 72 HD21 LEU 10 3HD2 LEU 10 -1.782 4.727 -3.688 73 HD22 LEU 10 1HD2 LEU 10 -3.067 4.309 -4.828 74 HD23 LEU 10 2HD2 LEU 10 -2.830 3.340 -3.378 75 H HIS 11 H HIS 11 -6.392 7.107 -1.862 76 HA HIS 11 HA HIS 11 -8.164 4.776 -1.446 77 HB2 HIS 11 1HB HIS 11 -8.881 6.708 -0.026 78 HB3 HIS 11 2HB HIS 11 -8.963 7.731 -1.453 79 HD1 HIS 11 HD1 HIS 11 -11.457 8.220 -1.347 80 HD2 HIS 11 HD2 HIS 11 -10.630 4.149 -1.290 81 HE1 HIS 11 HE1 HIS 11 -13.677 7.078 -1.562 82 HE2 HIS 11 HE2 HIS 11 -13.164 4.629 -1.310 83 H LEU 12 H LEU 12 -8.547 3.836 -3.361 84 HA LEU 12 HA LEU 12 -8.627 5.452 -5.835 85 HB2 LEU 12 1HB LEU 12 -7.842 3.361 -7.033 86 HB3 LEU 12 2HB LEU 12 -6.641 4.161 -6.047 87 HG LEU 12 HG LEU 12 -8.125 1.702 -5.050 88 HD11 LEU 12 1HD1 LEU 12 -7.083 1.057 -7.174 89 HD12 LEU 12 2HD1 LEU 12 -6.264 0.289 -5.815 90 HD13 LEU 12 3HD1 LEU 12 -5.528 1.680 -6.619 91 HD21 LEU 12 3HD2 LEU 12 -6.160 1.417 -3.588 92 HD22 LEU 12 1HD2 LEU 12 -6.921 2.988 -3.330 93 HD23 LEU 12 2HD2 LEU 12 -5.431 2.873 -4.268 94 H VAL 13 H VAL 13 -10.725 5.645 -6.287 95 HA VAL 13 HA VAL 13 -12.352 3.182 -6.678 96 HB VAL 13 HB VAL 13 -14.392 4.493 -6.506 97 HG11 VAL 13 1HG1 VAL 13 -14.339 5.303 -4.169 98 HG12 VAL 13 2HG1 VAL 13 -12.573 5.252 -4.192 99 HG13 VAL 13 3HG1 VAL 13 -13.502 3.763 -4.349 100 HG21 VAL 13 3HG2 VAL 13 -12.684 6.992 -6.180 101 HG22 VAL 13 1HG2 VAL 13 -14.444 6.927 -6.063 102 HG23 VAL 13 2HG2 VAL 13 -13.649 6.574 -7.597 103 H SER 14 H SER 14 -13.946 3.565 -8.774 104 HA SER 14 HA SER 14 -12.340 4.825 -10.877 105 HB2 SER 14 1HB SER 14 -13.193 2.510 -11.284 106 HB3 SER 14 2HB SER 14 -14.841 3.053 -10.976 107 HG SER 14 HG SER 14 -14.497 3.045 -13.183 108 H LEU 15 H LEU 15 -13.062 6.804 -11.683 109 HA LEU 15 HA LEU 15 -14.738 8.355 -10.038 110 HB2 LEU 15 1HB LEU 15 -14.451 10.151 -11.781 111 HB3 LEU 15 2HB LEU 15 -12.972 9.462 -11.150 112 HG LEU 15 HG LEU 15 -12.985 8.002 -13.339 113 HD11 LEU 15 1HD1 LEU 15 -13.994 9.085 -15.308 114 HD12 LEU 15 2HD1 LEU 15 -14.802 10.247 -14.254 115 HD13 LEU 15 3HD1 LEU 15 -15.214 8.535 -14.162 116 HD21 LEU 15 3HD2 LEU 15 -11.729 9.729 -14.554 117 HD22 LEU 15 1HD2 LEU 15 -11.294 9.705 -12.846 118 HD23 LEU 15 2HD2 LEU 15 -12.359 10.969 -13.467 119 HA PRO 16 HA PRO 16 -18.797 7.372 -11.530 120 HB2 PRO 16 1HB PRO 16 -20.264 9.476 -10.635 121 HB3 PRO 16 2HB PRO 16 -19.486 8.343 -9.520 122 HG2 PRO 16 1HG PRO 16 -18.516 11.053 -10.434 123 HG3 PRO 16 2HG PRO 16 -18.601 10.401 -8.782 124 HD2 PRO 16 1HD PRO 16 -16.292 10.387 -10.234 125 HD3 PRO 16 2HD PRO 16 -16.669 9.114 -9.053 126 H GLY 17 H GLY 17 -20.845 8.822 -12.490 127 HA2 GLY 17 1HA GLY 17 -21.514 10.310 -14.249 128 HA3 GLY 17 2HA GLY 17 -19.898 10.206 -14.937 129 H LEU 18 H LEU 18 -19.238 7.858 -15.465 130 HA LEU 18 HA LEU 18 -21.465 6.387 -16.758 131 HB2 LEU 18 1HB LEU 18 -18.454 6.274 -17.273 132 HB3 LEU 18 2HB LEU 18 -19.606 5.172 -17.998 133 HG LEU 18 HG LEU 18 -19.069 6.785 -19.673 134 HD11 LEU 18 1HD1 LEU 18 -21.441 6.179 -19.580 135 HD12 LEU 18 2HD1 LEU 18 -21.213 7.810 -20.201 136 HD13 LEU 18 3HD1 LEU 18 -21.771 7.572 -18.544 137 HD21 LEU 18 3HD2 LEU 18 -19.257 9.217 -19.399 138 HD22 LEU 18 1HD2 LEU 18 -18.089 8.535 -18.268 139 HD23 LEU 18 2HD2 LEU 18 -19.692 9.006 -17.701 140 H ASP 19 H ASP 19 -22.107 4.540 -15.822 141 HA ASP 19 HA ASP 19 -20.760 3.420 -13.526 142 HB2 ASP 19 1HB ASP 19 -23.242 3.470 -13.693 143 HB3 ASP 19 2HB ASP 19 -23.179 2.409 -15.096 144 H GLN 20 H GLN 20 -18.730 2.914 -14.448 145 HA GLN 20 HA GLN 20 -18.448 0.932 -16.539 146 HB2 GLN 20 1HB GLN 20 -16.725 2.673 -16.283 147 HB3 GLN 20 2HB GLN 20 -16.400 2.150 -14.635 148 HG2 GLN 20 1HG GLN 20 -15.650 -0.084 -15.593 149 HG3 GLN 20 2HG GLN 20 -15.784 0.637 -17.196 150 HE21 GLN 20 2HE2 GLN 20 -13.548 0.294 -17.548 151 HE22 GLN 20 1HE2 GLN 20 -12.351 1.287 -16.797 152 H GLN 21 H GLN 21 -17.030 0.860 -13.254 153 HA GLN 21 HA GLN 21 -18.213 -1.722 -12.614 154 HB2 GLN 21 1HB GLN 21 -16.214 -2.224 -14.065 155 HB3 GLN 21 2HB GLN 21 -15.198 -1.360 -12.922 156 HG2 GLN 21 1HG GLN 21 -15.733 -3.023 -11.188 157 HG3 GLN 21 2HG GLN 21 -16.748 -3.900 -12.336 158 HE21 GLN 21 2HE2 GLN 21 -14.348 -4.777 -10.900 159 HE22 GLN 21 1HE2 GLN 21 -13.212 -5.269 -12.102 160 H ASP 22 H ASP 22 -17.938 -2.220 -10.378 161 HA ASP 22 HA ASP 22 -17.728 0.186 -8.727 162 HB2 ASP 22 1HB ASP 22 -19.767 -1.312 -8.655 163 HB3 ASP 22 2HB ASP 22 -18.761 -2.599 -8.005 164 H ILE 23 H ILE 23 -15.256 -0.273 -9.393 165 HA ILE 23 HA ILE 23 -13.951 -1.859 -7.296 166 HB ILE 23 HB ILE 23 -11.805 -1.352 -8.330 167 HG12 ILE 23 1HG1 ILE 23 -12.124 -0.187 -10.823 168 HG13 ILE 23 2HG1 ILE 23 -13.296 0.737 -9.895 169 HG21 ILE 23 1HG2 ILE 23 -12.132 -2.533 -10.481 170 HG22 ILE 23 2HG2 ILE 23 -13.867 -2.250 -10.354 171 HG23 ILE 23 3HG2 ILE 23 -13.053 -3.263 -9.162 172 HD11 ILE 23 3HD1 ILE 23 -11.160 1.862 -10.002 173 HD12 ILE 23 1HD1 ILE 23 -10.347 0.471 -9.283 174 HD13 ILE 23 2HD1 ILE 23 -11.511 1.405 -8.335 175 H ASN 24 H ASN 24 -13.496 -1.050 -5.418 176 HA ASN 24 HA ASN 24 -12.750 1.724 -5.013 177 HB2 ASN 24 1HB ASN 24 -14.469 2.070 -3.196 178 HB3 ASN 24 2HB ASN 24 -15.153 1.983 -4.812 179 HD21 ASN 24 2HD2 ASN 24 -16.325 0.101 -5.415 180 HD22 ASN 24 1HD2 ASN 24 -17.006 -0.951 -4.227 181 H ILE 25 H ILE 25 -11.116 1.719 -3.686 182 HA ILE 25 HA ILE 25 -10.568 -0.508 -1.830 183 HB ILE 25 HB ILE 25 -8.512 0.439 -3.892 184 HG12 ILE 25 1HG1 ILE 25 -10.154 -2.119 -4.047 185 HG13 ILE 25 2HG1 ILE 25 -10.349 -0.735 -5.099 186 HG21 ILE 25 1HG2 ILE 25 -7.206 -1.535 -3.189 187 HG22 ILE 25 2HG2 ILE 25 -8.461 -1.954 -2.023 188 HG23 ILE 25 3HG2 ILE 25 -7.537 -0.463 -1.826 189 HD11 ILE 25 3HD1 ILE 25 -8.104 -1.106 -5.985 190 HD12 ILE 25 1HD1 ILE 25 -9.155 -2.502 -6.202 191 HD13 ILE 25 2HD1 ILE 25 -7.927 -2.519 -4.939 192 H HIS 26 H HIS 26 -9.327 0.186 -0.085 193 HA HIS 26 HA HIS 26 -7.933 2.782 -0.291 194 HB2 HIS 26 1HB HIS 26 -8.539 3.237 2.112 195 HB3 HIS 26 2HB HIS 26 -9.892 3.304 0.995 196 HD1 HIS 26 HD1 HIS 26 -8.432 1.086 3.680 197 HD2 HIS 26 HD2 HIS 26 -11.986 1.610 1.606 198 HE1 HIS 26 HE1 HIS 26 -10.097 -0.373 4.821 199 HE2 HIS 26 HE2 HIS 26 -12.205 -0.144 3.484 200 H ILE 27 H ILE 27 -5.890 2.685 0.286 201 HA ILE 27 HA ILE 27 -4.793 0.219 1.461 202 HB ILE 27 HB ILE 27 -3.407 2.202 -0.419 203 HG12 ILE 27 1HG1 ILE 27 -4.489 -0.607 -1.013 204 HG13 ILE 27 2HG1 ILE 27 -5.163 0.897 -1.618 205 HG21 ILE 27 1HG2 ILE 27 -1.806 1.117 1.115 206 HG22 ILE 27 2HG2 ILE 27 -1.574 0.525 -0.529 207 HG23 ILE 27 3HG2 ILE 27 -2.415 -0.476 0.656 208 HD11 ILE 27 3HD1 ILE 27 -3.904 -0.235 -3.338 209 HD12 ILE 27 1HD1 ILE 27 -2.462 -0.260 -2.323 210 HD13 ILE 27 2HD1 ILE 27 -3.103 1.277 -2.913 211 H ARG 28 H ARG 28 -3.966 0.470 3.439 212 HA ARG 28 HA ARG 28 -3.065 3.130 4.399 213 HB2 ARG 28 1HB ARG 28 -4.413 0.789 5.744 214 HB3 ARG 28 2HB ARG 28 -3.262 1.705 6.704 215 HG2 ARG 28 1HG ARG 28 -5.619 2.967 5.278 216 HG3 ARG 28 2HG ARG 28 -5.671 2.410 6.954 217 HD2 ARG 28 1HD ARG 28 -3.802 4.550 5.843 218 HD3 ARG 28 2HD ARG 28 -5.244 4.842 6.823 219 HE ARG 28 HE ARG 28 -3.750 3.162 8.369 220 HH11 ARG 28 1HH1 ARG 28 -3.056 6.297 6.909 221 HH12 ARG 28 2HH1 ARG 28 -1.925 6.742 8.144 222 HH21 ARG 28 1HH2 ARG 28 -2.279 3.782 9.966 223 HH22 ARG 28 2HH2 ARG 28 -1.476 5.315 9.860 224 H TYR 29 H TYR 29 -0.909 3.332 4.399 225 HA TYR 29 HA TYR 29 0.775 0.944 4.898 226 HB2 TYR 29 1HB TYR 29 2.613 2.225 3.739 227 HB3 TYR 29 2HB TYR 29 1.282 1.754 2.702 228 HD1 TYR 29 HD2 TYR 29 -0.342 3.505 1.874 229 HD2 TYR 29 HD1 TYR 29 3.195 4.577 4.031 230 HE1 TYR 29 HE2 TYR 29 -0.531 5.807 1.046 231 HE2 TYR 29 HE1 TYR 29 2.994 6.878 3.201 232 HH TYR 29 HH TYR 29 1.967 8.116 1.422 233 H GLU 30 H GLU 30 1.722 0.901 6.787 234 HA GLU 30 HA GLU 30 1.997 3.367 8.418 235 HB2 GLU 30 1HB GLU 30 1.354 0.565 9.467 236 HB3 GLU 30 2HB GLU 30 1.389 2.067 10.388 237 HG2 GLU 30 1HG GLU 30 -0.568 2.867 9.024 238 HG3 GLU 30 2HG GLU 30 -0.644 1.270 8.279 239 H VAL 31 H VAL 31 4.140 3.750 8.556 240 HA VAL 31 HA VAL 31 6.138 1.678 8.467 241 HB VAL 31 HB VAL 31 6.460 4.641 9.130 242 HG11 VAL 31 1HG1 VAL 31 8.558 2.590 8.295 243 HG12 VAL 31 2HG1 VAL 31 8.416 3.348 9.883 244 HG13 VAL 31 3HG1 VAL 31 8.840 4.324 8.476 245 HG21 VAL 31 3HG2 VAL 31 5.447 4.340 6.921 246 HG22 VAL 31 1HG2 VAL 31 6.698 3.174 6.471 247 HG23 VAL 31 2HG2 VAL 31 7.121 4.865 6.737 248 H ARG 32 H ARG 32 6.848 0.541 10.096 249 HA ARG 32 HA ARG 32 6.829 1.477 12.885 250 HB2 ARG 32 1HB ARG 32 4.696 0.179 12.435 251 HB3 ARG 32 2HB ARG 32 5.677 -1.199 11.954 252 HG2 ARG 32 1HG ARG 32 6.684 -0.973 14.396 253 HG3 ARG 32 2HG ARG 32 5.204 -0.063 14.711 254 HD2 ARG 32 1HD ARG 32 3.864 -1.993 13.958 255 HD3 ARG 32 2HD ARG 32 5.355 -2.883 13.617 256 HE ARG 32 HE ARG 32 4.798 -1.954 16.361 257 HH11 ARG 32 1HH1 ARG 32 5.305 -4.629 14.136 258 HH12 ARG 32 2HH1 ARG 32 5.279 -5.834 15.381 259 HH21 ARG 32 1HH2 ARG 32 4.768 -3.559 17.995 260 HH22 ARG 32 2HH2 ARG 32 4.978 -5.229 17.568 261 H GLN 33 H GLN 33 8.256 0.014 14.230 262 HA GLN 33 HA GLN 33 10.411 -1.204 12.618 263 HB2 GLN 33 1HB GLN 33 10.657 -0.148 15.464 264 HB3 GLN 33 2HB GLN 33 11.967 -0.637 14.400 265 HG2 GLN 33 1HG GLN 33 10.196 1.803 14.018 266 HG3 GLN 33 2HG GLN 33 11.826 1.813 14.681 267 HE21 GLN 33 2HE2 GLN 33 9.915 1.657 11.805 268 HE22 GLN 33 1HE2 GLN 33 11.213 1.771 10.674 269 H ASN 34 H ASN 34 10.345 -3.358 12.662 270 HA ASN 34 HA ASN 34 9.511 -4.848 15.076 271 HB2 ASN 34 1HB ASN 34 9.243 -6.832 13.716 272 HB3 ASN 34 2HB ASN 34 8.386 -5.521 12.931 273 HD21 ASN 34 2HD2 ASN 34 10.830 -4.402 11.624 274 HD22 ASN 34 1HD2 ASN 34 11.206 -5.505 10.378 275 H ALA 35 H ALA 35 10.883 -6.430 15.981 276 HA ALA 35 HA ALA 35 13.670 -5.794 15.983 277 HB1 ALA 35 3HB ALA 35 12.472 -6.538 18.007 278 HB2 ALA 35 1HB ALA 35 13.855 -7.583 17.662 279 HB3 ALA 35 2HB ALA 35 12.219 -8.125 17.280 280 H GLU 36 H GLU 36 11.752 -7.994 14.158 281 HA GLU 36 HA GLU 36 13.672 -9.996 13.550 282 HB2 GLU 36 1HB GLU 36 11.236 -10.375 13.362 283 HB3 GLU 36 2HB GLU 36 11.131 -9.172 12.085 284 HG2 GLU 36 1HG GLU 36 11.033 -11.428 11.164 285 HG3 GLU 36 2HG GLU 36 12.476 -10.587 10.600 286 H SER 37 H SER 37 12.513 -7.156 11.683 287 HA SER 37 HA SER 37 14.730 -7.554 9.739 288 HB2 SER 37 1HB SER 37 11.961 -6.424 9.144 289 HB3 SER 37 2HB SER 37 13.213 -6.835 7.970 290 HG SER 37 HG SER 37 12.980 -9.045 8.954 291 H GLY 38 H GLY 38 13.840 -5.518 12.167 292 HA2 GLY 38 1HA GLY 38 14.653 -3.414 12.734 293 HA3 GLY 38 2HA GLY 38 15.315 -3.234 11.108 294 H ALA 39 H ALA 39 14.339 -1.601 10.035 295 HA ALA 39 HA ALA 39 11.706 -0.604 10.613 296 HB1 ALA 39 3HB ALA 39 13.474 0.861 9.722 297 HB2 ALA 39 1HB ALA 39 12.068 0.857 8.658 298 HB3 ALA 39 2HB ALA 39 13.511 -0.064 8.221 299 H TYR 40 H TYR 40 9.781 -0.961 9.502 300 HA TYR 40 HA TYR 40 9.745 -2.182 6.881 301 HB2 TYR 40 1HB TYR 40 8.595 -4.192 7.326 302 HB3 TYR 40 2HB TYR 40 9.825 -4.149 8.578 303 HD1 TYR 40 HD1 TYR 40 8.934 -2.969 10.887 304 HD2 TYR 40 HD2 TYR 40 6.458 -4.884 7.971 305 HE1 TYR 40 HE1 TYR 40 7.220 -3.375 12.596 306 HE2 TYR 40 HE2 TYR 40 4.748 -5.278 9.685 307 HH TYR 40 HH TYR 40 4.660 -5.512 12.145 308 H VAL 41 H VAL 41 7.431 -2.393 6.076 309 HA VAL 41 HA VAL 41 5.631 -0.390 7.314 310 HB VAL 41 HB VAL 41 5.750 -0.975 4.315 311 HG11 VAL 41 1HG1 VAL 41 3.593 -0.097 5.111 312 HG12 VAL 41 2HG1 VAL 41 4.414 1.099 4.110 313 HG13 VAL 41 3HG1 VAL 41 4.408 1.276 5.866 314 HG21 VAL 41 3HG2 VAL 41 6.922 1.174 4.006 315 HG22 VAL 41 1HG2 VAL 41 7.891 0.057 4.968 316 HG23 VAL 41 2HG2 VAL 41 7.031 1.380 5.755 317 H HIS 42 H HIS 42 3.643 -1.102 7.754 318 HA HIS 42 HA HIS 42 2.730 -3.756 6.878 319 HB2 HIS 42 1HB HIS 42 2.512 -3.527 9.239 320 HB3 HIS 42 2HB HIS 42 1.945 -1.865 9.130 321 HD1 HIS 42 HD1 HIS 42 0.694 -5.392 8.390 322 HD2 HIS 42 HD2 HIS 42 -0.776 -1.602 9.194 323 HE1 HIS 42 HE1 HIS 42 -1.782 -5.661 8.599 324 HE2 HIS 42 HE2 HIS 42 -2.649 -3.333 8.919 325 H PHE 43 H PHE 43 1.027 -3.937 5.470 326 HA PHE 43 HA PHE 43 -0.250 -1.441 4.481 327 HB2 PHE 43 1HB PHE 43 0.437 -3.910 2.830 328 HB3 PHE 43 2HB PHE 43 -0.369 -2.462 2.237 329 HD1 PHE 43 HD1 PHE 43 0.917 -0.354 1.918 330 HD2 PHE 43 HD2 PHE 43 2.860 -3.948 3.182 331 HE1 PHE 43 HE1 PHE 43 3.098 0.591 1.275 332 HE2 PHE 43 HE2 PHE 43 5.027 -2.990 2.548 333 HZ PHE 43 HZ PHE 43 5.156 -0.728 1.590 334 H ASP 44 H ASP 44 -2.423 -1.416 4.448 335 HA ASP 44 HA ASP 44 -3.989 -3.918 4.792 336 HB2 ASP 44 1HB ASP 44 -4.778 -1.052 5.522 337 HB3 ASP 44 2HB ASP 44 -5.785 -2.480 5.749 338 H MET 45 H MET 45 -5.501 -4.357 3.226 339 HA MET 45 HA MET 45 -6.477 -2.176 1.487 340 HB2 MET 45 1HB MET 45 -5.669 -4.963 0.503 341 HB3 MET 45 2HB MET 45 -6.541 -3.777 -0.462 342 HG2 MET 45 1HG MET 45 -4.591 -2.237 -0.262 343 HG3 MET 45 2HG MET 45 -3.720 -3.494 0.608 344 HE1 MET 45 3HE MET 45 -4.977 -3.859 -3.836 345 HE2 MET 45 1HE MET 45 -5.278 -2.418 -2.863 346 HE3 MET 45 2HE MET 45 -6.143 -3.915 -2.515 347 H ASP 46 H ASP 46 -8.645 -2.128 1.440 348 HA ASP 46 HA ASP 46 -10.356 -4.432 1.869 349 HB2 ASP 46 1HB ASP 46 -10.026 -4.202 4.188 350 HB3 ASP 46 2HB ASP 46 -9.846 -2.467 4.115 351 H GLY 47 H GLY 47 -12.589 -3.890 1.583 352 HA2 GLY 47 1HA GLY 47 -13.989 -1.644 1.350 353 HA3 GLY 47 2HA GLY 47 -13.077 -1.596 -0.164 354 H GLU 48 H GLU 48 -14.344 -2.258 -1.765 355 HA GLU 48 HA GLU 48 -15.272 -4.966 -1.845 356 HB2 GLU 48 1HB GLU 48 -17.642 -4.525 -2.344 357 HB3 GLU 48 2HB GLU 48 -17.225 -3.988 -0.723 358 HG2 GLU 48 1HG GLU 48 -17.004 -1.643 -1.709 359 HG3 GLU 48 2HG GLU 48 -17.758 -2.289 -3.165 360 H ILE 49 H ILE 49 -16.502 -5.139 -4.356 361 HA ILE 49 HA ILE 49 -15.152 -3.727 -6.223 362 HB ILE 49 HB ILE 49 -13.675 -6.340 -5.546 363 HG12 ILE 49 1HG1 ILE 49 -12.624 -3.486 -5.927 364 HG13 ILE 49 2HG1 ILE 49 -12.699 -4.356 -4.403 365 HG21 ILE 49 1HG2 ILE 49 -13.526 -4.680 -8.102 366 HG22 ILE 49 2HG2 ILE 49 -14.201 -6.301 -7.945 367 HG23 ILE 49 3HG2 ILE 49 -12.474 -6.048 -7.717 368 HD11 ILE 49 3HD1 ILE 49 -11.020 -5.937 -5.242 369 HD12 ILE 49 1HD1 ILE 49 -10.438 -4.275 -5.244 370 HD13 ILE 49 2HD1 ILE 49 -10.932 -5.034 -6.756 371 H ASP 50 H ASP 50 -16.785 -3.979 -7.660 372 HA ASP 50 HA ASP 50 -18.716 -4.674 -8.612 373 HB2 ASP 50 1HB ASP 50 -17.283 -6.530 -9.537 374 HB3 ASP 50 2HB ASP 50 -17.650 -7.503 -8.122 375 H GLY 51 H GLY 51 -18.745 -3.892 -5.988 376 HA2 GLY 51 1HA GLY 51 -20.171 -3.746 -4.216 377 HA3 GLY 51 2HA GLY 51 -21.176 -4.969 -4.959 378 H LYS 52 H LYS 52 -18.494 -6.714 -4.782 379 HA LYS 52 HA LYS 52 -19.378 -8.023 -2.349 380 HB2 LYS 52 1HB LYS 52 -17.351 -8.842 -4.457 381 HB3 LYS 52 2HB LYS 52 -17.930 -9.877 -3.149 382 HG2 LYS 52 1HG LYS 52 -19.600 -8.778 -5.443 383 HG3 LYS 52 2HG LYS 52 -19.034 -10.440 -5.263 384 HD2 LYS 52 1HD LYS 52 -20.426 -10.692 -3.220 385 HD3 LYS 52 2HD LYS 52 -20.989 -9.029 -3.392 386 HE2 LYS 52 1HE LYS 52 -22.025 -9.618 -5.570 387 HE3 LYS 52 2HE LYS 52 -21.476 -11.283 -5.372 388 HZ1 LYS 52 3HZ LYS 52 -23.775 -11.057 -4.732 389 HZ2 LYS 52 1HZ LYS 52 -23.391 -9.855 -3.608 390 HZ3 LYS 52 2HZ LYS 52 -22.845 -11.437 -3.375 391 HA PRO 53 HA PRO 53 -16.067 -5.940 -0.145 392 HB2 PRO 53 1HB PRO 53 -16.392 -7.037 2.328 393 HB3 PRO 53 2HB PRO 53 -17.552 -5.893 1.636 394 HG2 PRO 53 1HG PRO 53 -17.699 -8.905 1.746 395 HG3 PRO 53 2HG PRO 53 -18.967 -7.710 2.102 396 HD2 PRO 53 1HD PRO 53 -18.787 -9.025 -0.304 397 HD3 PRO 53 2HD PRO 53 -19.474 -7.395 -0.153 398 H PHE 54 H PHE 54 -13.989 -6.246 0.619 399 HA PHE 54 HA PHE 54 -12.890 -8.945 0.988 400 HB2 PHE 54 1HB PHE 54 -11.064 -8.670 -0.560 401 HB3 PHE 54 2HB PHE 54 -12.523 -8.292 -1.457 402 HD1 PHE 54 HD1 PHE 54 -13.119 -5.747 -1.715 403 HD2 PHE 54 HD2 PHE 54 -9.238 -7.164 -0.591 404 HE1 PHE 54 HE1 PHE 54 -12.131 -3.606 -2.393 405 HE2 PHE 54 HE2 PHE 54 -8.264 -5.012 -1.273 406 HZ PHE 54 HZ PHE 54 -9.709 -3.233 -2.165 407 H SER 55 H SER 55 -11.132 -8.967 2.428 408 HA SER 55 HA SER 55 -9.927 -6.433 3.303 409 HB2 SER 55 1HB SER 55 -11.160 -8.412 5.239 410 HB3 SER 55 2HB SER 55 -10.246 -6.994 5.702 411 HG SER 55 HG SER 55 -12.079 -6.072 4.164 412 H ASP 56 H ASP 56 -7.851 -6.747 3.060 413 HA ASP 56 HA ASP 56 -6.496 -9.274 3.756 414 HB2 ASP 56 1HB ASP 56 -5.992 -7.575 1.250 415 HB3 ASP 56 2HB ASP 56 -5.036 -8.975 1.730 416 H SER 57 H SER 57 -4.227 -8.956 4.277 417 HA SER 57 HA SER 57 -3.117 -6.269 4.311 418 HB2 SER 57 1HB SER 57 -2.457 -6.425 6.736 419 HB3 SER 57 2HB SER 57 -4.196 -6.307 6.504 420 HG SER 57 HG SER 57 -3.704 -7.888 8.033 421 H PHE 58 H PHE 58 -0.979 -6.270 3.958 422 HA PHE 58 HA PHE 58 0.625 -8.718 4.337 423 HB2 PHE 58 1HB PHE 58 1.736 -8.320 2.125 424 HB3 PHE 58 2HB PHE 58 0.050 -8.780 1.981 425 HD1 PHE 58 HD2 PHE 58 -1.665 -7.052 1.328 426 HD2 PHE 58 HD1 PHE 58 2.527 -6.181 1.244 427 HE1 PHE 58 HE2 PHE 58 -2.088 -5.134 -0.149 428 HE2 PHE 58 HE1 PHE 58 2.090 -4.259 -0.237 429 HZ PHE 58 HZ PHE 58 -0.214 -3.741 -0.938 430 H GLU 59 H GLU 59 2.760 -8.328 4.909 431 HA GLU 59 HA GLU 59 3.493 -5.518 5.503 432 HB2 GLU 59 1HB GLU 59 4.254 -8.041 7.056 433 HB3 GLU 59 2HB GLU 59 4.869 -6.430 7.394 434 HG2 GLU 59 1HG GLU 59 3.210 -6.827 9.017 435 HG3 GLU 59 2HG GLU 59 2.471 -5.728 7.862 436 H LEU 60 H LEU 60 5.246 -4.822 4.428 437 HA LEU 60 HA LEU 60 7.217 -6.777 3.383 438 HB2 LEU 60 1HB LEU 60 6.386 -4.070 2.279 439 HB3 LEU 60 2HB LEU 60 7.756 -4.990 1.676 440 HG LEU 60 HG LEU 60 4.870 -5.981 1.593 441 HD11 LEU 60 1HD1 LEU 60 5.122 -4.044 0.114 442 HD12 LEU 60 2HD1 LEU 60 4.931 -5.523 -0.825 443 HD13 LEU 60 3HD1 LEU 60 6.529 -4.789 -0.654 444 HD21 LEU 60 3HD2 LEU 60 5.746 -7.718 0.074 445 HD22 LEU 60 1HD2 LEU 60 6.508 -7.819 1.659 446 HD23 LEU 60 2HD2 LEU 60 7.387 -7.111 0.300 447 HA PRO 61 HA PRO 61 10.072 -4.678 6.269 448 HB2 PRO 61 1HB PRO 61 12.370 -5.878 5.283 449 HB3 PRO 61 2HB PRO 61 11.282 -6.636 6.451 450 HG2 PRO 61 1HG PRO 61 11.367 -6.980 3.457 451 HG3 PRO 61 2HG PRO 61 11.261 -8.225 4.723 452 HD2 PRO 61 1HD PRO 61 9.064 -7.449 3.405 453 HD3 PRO 61 2HD PRO 61 8.987 -7.764 5.156 454 H ARG 62 H ARG 62 11.653 -3.020 6.082 455 HA ARG 62 HA ARG 62 11.505 -1.039 4.249 456 HB2 ARG 62 1HB ARG 62 12.756 -0.658 6.247 457 HB3 ARG 62 2HB ARG 62 13.858 -1.986 5.910 458 HG2 ARG 62 1HG ARG 62 14.772 -0.630 3.977 459 HG3 ARG 62 2HG ARG 62 13.788 0.724 4.537 460 HD2 ARG 62 1HD ARG 62 15.020 0.867 6.590 461 HD3 ARG 62 2HD ARG 62 15.821 -0.679 6.298 462 HE ARG 62 HE ARG 62 16.621 0.784 4.182 463 HH11 ARG 62 1HH1 ARG 62 16.616 1.613 7.605 464 HH12 ARG 62 2HH1 ARG 62 18.128 2.459 7.519 465 HH21 ARG 62 1HH2 ARG 62 18.603 1.884 4.094 466 HH22 ARG 62 2HH2 ARG 62 19.254 2.598 5.537 467 H ASP 63 H ASP 63 13.704 -3.787 4.029 468 HA ASP 63 HA ASP 63 15.257 -3.036 1.830 469 HB2 ASP 63 1HB ASP 63 15.889 -4.770 3.448 470 HB3 ASP 63 2HB ASP 63 14.551 -5.789 2.927 471 H THR 64 H THR 64 12.017 -4.284 1.915 472 HA THR 64 HA THR 64 11.907 -4.553 -1.017 473 HB THR 64 HB THR 64 10.384 -6.537 -0.770 474 HG1 THR 64 HG1 THR 64 10.368 -5.865 1.769 475 HG21 THR 64 3HG2 THR 64 12.090 -8.238 -0.218 476 HG22 THR 64 1HG2 THR 64 13.116 -6.991 0.493 477 HG23 THR 64 2HG2 THR 64 12.777 -6.975 -1.237 478 H ALA 65 H ALA 65 11.021 -2.550 1.183 479 HA ALA 65 HA ALA 65 8.182 -2.673 1.425 480 HB1 ALA 65 3HB ALA 65 8.345 -0.412 2.378 481 HB2 ALA 65 1HB ALA 65 10.020 -0.288 1.831 482 HB3 ALA 65 2HB ALA 65 9.576 -1.478 3.055 483 H PHE 66 H PHE 66 10.325 -0.738 -0.611 484 HA PHE 66 HA PHE 66 8.346 0.642 -2.070 485 HB2 PHE 66 1HB PHE 66 11.221 0.082 -2.914 486 HB3 PHE 66 2HB PHE 66 10.189 1.381 -3.511 487 HD1 PHE 66 HD2 PHE 66 9.245 3.042 -1.659 488 HD2 PHE 66 HD1 PHE 66 12.683 0.547 -1.108 489 HE1 PHE 66 HE2 PHE 66 10.009 4.489 0.177 490 HE2 PHE 66 HE1 PHE 66 13.429 1.999 0.735 491 HZ PHE 66 HZ PHE 66 12.093 3.967 1.379 492 H ASN 67 H ASN 67 9.143 -2.621 -2.262 493 HA ASN 67 HA ASN 67 8.455 -3.105 -5.027 494 HB2 ASN 67 1HB ASN 67 8.582 -5.011 -2.650 495 HB3 ASN 67 2HB ASN 67 8.384 -5.505 -4.329 496 HD21 ASN 67 2HD2 ASN 67 10.263 -6.747 -4.309 497 HD22 ASN 67 1HD2 ASN 67 11.846 -6.059 -4.220 498 H PHE 68 H PHE 68 6.588 -1.843 -2.707 499 HA PHE 68 HA PHE 68 4.358 -3.510 -2.376 500 HB2 PHE 68 1HB PHE 68 3.267 -1.603 -1.364 501 HB3 PHE 68 2HB PHE 68 4.963 -1.544 -0.907 502 HD1 PHE 68 HD1 PHE 68 6.500 0.122 -2.088 503 HD2 PHE 68 HD2 PHE 68 2.255 0.230 -2.567 504 HE1 PHE 68 HE1 PHE 68 6.663 2.409 -2.965 505 HE2 PHE 68 HE2 PHE 68 2.427 2.519 -3.447 506 HZ PHE 68 HZ PHE 68 4.624 3.616 -3.644 507 H ALA 69 H ALA 69 5.242 -1.865 -5.283 508 HA ALA 69 HA ALA 69 2.630 -0.725 -5.875 509 HB1 ALA 69 3HB ALA 69 4.643 0.505 -6.546 510 HB2 ALA 69 1HB ALA 69 3.710 0.033 -7.967 511 HB3 ALA 69 2HB ALA 69 5.174 -0.855 -7.535 512 H SER 70 H SER 70 4.738 -3.354 -6.916 513 HA SER 70 HA SER 70 3.028 -4.390 -8.958 514 HB2 SER 70 1HB SER 70 5.349 -5.700 -7.473 515 HB3 SER 70 2HB SER 70 4.592 -6.333 -8.941 516 HG SER 70 HG SER 70 6.609 -4.801 -8.923 517 H ASP 71 H ASP 71 3.502 -5.027 -5.501 518 HA ASP 71 HA ASP 71 2.010 -7.493 -5.471 519 HB2 ASP 71 1HB ASP 71 3.869 -7.029 -3.854 520 HB3 ASP 71 2HB ASP 71 2.868 -5.800 -3.084 521 H ALA 72 H ALA 72 1.355 -4.200 -4.226 522 HA ALA 72 HA ALA 72 -1.210 -4.583 -3.225 523 HB1 ALA 72 3HB ALA 72 -0.131 -2.030 -4.463 524 HB2 ALA 72 1HB ALA 72 0.103 -2.550 -2.794 525 HB3 ALA 72 2HB ALA 72 -1.515 -2.153 -3.373 526 H THR 73 H THR 73 -0.279 -3.655 -6.556 527 HA THR 73 HA THR 73 -2.912 -3.488 -7.612 528 HB THR 73 HB THR 73 -0.326 -4.149 -9.093 529 HG1 THR 73 HG1 THR 73 0.149 -2.129 -8.768 530 HG21 THR 73 3HG2 THR 73 -2.958 -3.028 -10.159 531 HG22 THR 73 1HG2 THR 73 -2.316 -4.639 -10.486 532 HG23 THR 73 2HG2 THR 73 -1.472 -3.213 -11.091 533 H ARG 74 H ARG 74 -0.503 -6.139 -7.589 534 HA ARG 74 HA ARG 74 -1.906 -8.244 -8.692 535 HB2 ARG 74 1HB ARG 74 0.440 -8.406 -8.018 536 HB3 ARG 74 2HB ARG 74 -0.001 -8.273 -6.323 537 HG2 ARG 74 1HG ARG 74 -1.239 -10.482 -6.572 538 HG3 ARG 74 2HG ARG 74 -0.516 -10.612 -8.182 539 HD2 ARG 74 1HD ARG 74 0.980 -10.444 -5.537 540 HD3 ARG 74 2HD ARG 74 0.809 -11.877 -6.554 541 HE ARG 74 HE ARG 74 2.038 -10.457 -8.298 542 HH11 ARG 74 1HH1 ARG 74 2.672 -10.104 -4.864 543 HH12 ARG 74 2HH1 ARG 74 4.330 -9.671 -5.105 544 HH21 ARG 74 1HH2 ARG 74 4.203 -9.861 -8.581 545 HH22 ARG 74 2HH2 ARG 74 5.198 -9.539 -7.196 546 H VAL 75 H VAL 75 -2.228 -6.928 -5.415 547 HA VAL 75 HA VAL 75 -3.982 -8.962 -4.392 548 HB VAL 75 HB VAL 75 -3.390 -6.135 -3.384 549 HG11 VAL 75 1HG1 VAL 75 -5.598 -6.797 -2.538 550 HG12 VAL 75 2HG1 VAL 75 -4.429 -6.821 -1.220 551 HG13 VAL 75 3HG1 VAL 75 -4.954 -8.335 -1.962 552 HG21 VAL 75 3HG2 VAL 75 -1.452 -7.651 -3.281 553 HG22 VAL 75 1HG2 VAL 75 -2.399 -8.824 -2.368 554 HG23 VAL 75 2HG2 VAL 75 -2.019 -7.251 -1.662 555 H ALA 76 H ALA 76 -4.382 -5.883 -6.093 556 HA ALA 76 HA ALA 76 -7.141 -5.447 -5.393 557 HB1 ALA 76 3HB ALA 76 -5.412 -4.200 -7.559 558 HB2 ALA 76 1HB ALA 76 -5.652 -3.571 -5.926 559 HB3 ALA 76 2HB ALA 76 -7.004 -3.621 -7.057 560 H GLN 77 H GLN 77 -5.400 -6.492 -8.271 561 HA GLN 77 HA GLN 77 -7.679 -7.063 -9.887 562 HB2 GLN 77 1HB GLN 77 -6.149 -7.933 -11.535 563 HB3 GLN 77 2HB GLN 77 -5.491 -6.447 -10.855 564 HG2 GLN 77 1HG GLN 77 -4.001 -7.827 -9.400 565 HG3 GLN 77 2HG GLN 77 -4.608 -9.276 -10.203 566 HE21 GLN 77 2HE2 GLN 77 -4.033 -9.643 -12.394 567 HE22 GLN 77 1HE2 GLN 77 -2.695 -8.833 -13.127 568 H LYS 78 H LYS 78 -5.856 -8.939 -7.578 569 HA LYS 78 HA LYS 78 -6.729 -11.540 -8.186 570 HB2 LYS 78 1HB LYS 78 -4.965 -11.063 -6.545 571 HB3 LYS 78 2HB LYS 78 -6.126 -10.279 -5.483 572 HG2 LYS 78 1HG LYS 78 -7.262 -12.423 -5.096 573 HG3 LYS 78 2HG LYS 78 -6.171 -13.224 -6.229 574 HD2 LYS 78 1HD LYS 78 -5.304 -11.878 -3.632 575 HD3 LYS 78 2HD LYS 78 -5.543 -13.615 -3.835 576 HE2 LYS 78 1HE LYS 78 -3.496 -11.926 -5.322 577 HE3 LYS 78 2HE LYS 78 -3.153 -13.008 -3.975 578 HZ1 LYS 78 3HZ LYS 78 -2.633 -14.057 -6.059 579 HZ2 LYS 78 1HZ LYS 78 -4.198 -13.807 -6.634 580 HZ3 LYS 78 2HZ LYS 78 -3.938 -14.860 -5.342 581 H HIS 79 H HIS 79 -8.399 -8.837 -6.696 582 HA HIS 79 HA HIS 79 -10.746 -10.491 -5.993 583 HB2 HIS 79 1HB HIS 79 -10.148 -7.589 -5.271 584 HB3 HIS 79 2HB HIS 79 -11.521 -8.540 -4.703 585 HD1 HIS 79 HD1 HIS 79 -8.072 -7.702 -3.916 586 HD2 HIS 79 HD2 HIS 79 -10.689 -10.777 -2.956 587 HE1 HIS 79 HE1 HIS 79 -7.034 -8.881 -1.978 588 HE2 HIS 79 HE2 HIS 79 -8.717 -10.601 -1.293 589 H GLY 80 H GLY 80 -9.700 -9.209 -8.750 590 HA2 GLY 80 1HA GLY 80 -10.904 -9.012 -10.679 591 HA3 GLY 80 2HA GLY 80 -12.385 -8.872 -9.746 592 H LEU 81 H LEU 81 -9.444 -6.852 -9.555 593 HA LEU 81 HA LEU 81 -10.660 -4.346 -9.721 594 HB2 LEU 81 1HB LEU 81 -8.267 -4.810 -9.101 595 HB3 LEU 81 2HB LEU 81 -7.919 -5.140 -10.788 596 HG LEU 81 HG LEU 81 -8.531 -2.739 -11.309 597 HD11 LEU 81 1HD1 LEU 81 -8.569 -2.461 -8.281 598 HD12 LEU 81 2HD1 LEU 81 -9.962 -2.300 -9.355 599 HD13 LEU 81 3HD1 LEU 81 -8.645 -1.133 -9.445 600 HD21 LEU 81 3HD2 LEU 81 -6.407 -1.811 -10.442 601 HD22 LEU 81 1HD2 LEU 81 -6.189 -3.442 -11.078 602 HD23 LEU 81 2HD2 LEU 81 -6.262 -3.180 -9.336 603 H HIS 82 H HIS 82 -9.006 -6.139 -12.274 604 HA HIS 82 HA HIS 82 -11.119 -5.812 -14.187 605 HB2 HIS 82 1HB HIS 82 -8.433 -4.437 -14.590 606 HB3 HIS 82 2HB HIS 82 -9.336 -5.028 -15.983 607 HD1 HIS 82 HD1 HIS 82 -8.815 -2.000 -14.269 608 HD2 HIS 82 HD2 HIS 82 -12.192 -3.886 -15.777 609 HE1 HIS 82 HE1 HIS 82 -10.536 -0.192 -14.525 610 HE2 HIS 82 HE2 HIS 82 -12.476 -1.326 -15.670 611 HA PRO 83 HA PRO 83 -9.658 -9.914 -15.100 612 HB2 PRO 83 1HB PRO 83 -10.418 -9.680 -17.965 613 HB3 PRO 83 2HB PRO 83 -11.140 -10.674 -16.696 614 HG2 PRO 83 1HG PRO 83 -12.437 -8.533 -17.700 615 HG3 PRO 83 2HG PRO 83 -12.566 -8.973 -15.982 616 HD2 PRO 83 1HD PRO 83 -10.819 -6.856 -17.262 617 HD3 PRO 83 2HD PRO 83 -11.861 -6.736 -15.821 618 H LYS 84 H LYS 84 -8.609 -11.151 -17.293 619 HA LYS 84 HA LYS 84 -5.847 -10.499 -17.176 620 HB2 LYS 84 1HB LYS 84 -7.299 -12.390 -19.069 621 HB3 LYS 84 2HB LYS 84 -5.556 -12.363 -18.805 622 HG2 LYS 84 1HG LYS 84 -5.940 -12.985 -16.418 623 HG3 LYS 84 2HG LYS 84 -7.672 -13.081 -16.742 624 HD2 LYS 84 1HD LYS 84 -5.510 -14.816 -18.012 625 HD3 LYS 84 2HD LYS 84 -6.632 -15.319 -16.746 626 HE2 LYS 84 1HE LYS 84 -8.529 -14.991 -18.310 627 HE3 LYS 84 2HE LYS 84 -7.403 -14.505 -19.578 628 HZ1 LYS 84 3HZ LYS 84 -7.557 -17.162 -18.273 629 HZ2 LYS 84 1HZ LYS 84 -6.366 -16.711 -19.385 630 HZ3 LYS 84 2HZ LYS 84 -7.985 -16.785 -19.862 631 H PHE 85 H PHE 85 -8.258 -9.125 -19.101 632 HA PHE 85 HA PHE 85 -6.849 -8.483 -21.480 633 HB2 PHE 85 1HB PHE 85 -9.144 -7.022 -20.101 634 HB3 PHE 85 2HB PHE 85 -8.606 -6.717 -21.751 635 HD1 PHE 85 HD1 PHE 85 -9.011 -8.413 -23.537 636 HD2 PHE 85 HD2 PHE 85 -10.509 -8.991 -19.570 637 HE1 PHE 85 HE1 PHE 85 -10.535 -10.160 -24.361 638 HE2 PHE 85 HE2 PHE 85 -12.031 -10.732 -20.405 639 HZ PHE 85 HZ PHE 85 -12.046 -11.321 -22.800 640 H GLY 86 H GLY 86 -6.788 -7.160 -18.249 641 HA2 GLY 86 1HA GLY 86 -4.435 -6.018 -18.025 642 HA3 GLY 86 2HA GLY 86 -5.207 -4.793 -19.024 643 H ALA 87 H ALA 87 -4.441 -5.473 -15.910 644 HA ALA 87 HA ALA 87 -6.719 -4.709 -14.405 645 HB1 ALA 87 3HB ALA 87 -5.128 -4.314 -12.553 646 HB2 ALA 87 1HB ALA 87 -3.768 -4.412 -13.676 647 HB3 ALA 87 2HB ALA 87 -4.769 -5.832 -13.372 648 H ILE 88 H ILE 88 -3.786 -2.834 -15.169 649 HA ILE 88 HA ILE 88 -5.269 -0.413 -15.816 650 HB ILE 88 HB ILE 88 -3.593 0.942 -14.290 651 HG12 ILE 88 1HG1 ILE 88 -3.560 -1.744 -12.816 652 HG13 ILE 88 2HG1 ILE 88 -2.173 -0.952 -13.554 653 HG21 ILE 88 1HG2 ILE 88 -5.933 -0.496 -12.989 654 HG22 ILE 88 2HG2 ILE 88 -6.031 0.981 -13.952 655 HG23 ILE 88 3HG2 ILE 88 -5.179 0.990 -12.407 656 HD11 ILE 88 3HD1 ILE 88 -2.376 0.876 -11.911 657 HD12 ILE 88 1HD1 ILE 88 -2.124 -0.698 -11.155 658 HD13 ILE 88 2HD1 ILE 88 -3.731 0.026 -11.162 659 H THR 89 H THR 89 -4.498 -0.864 -17.887 660 HA THR 89 HA THR 89 -1.719 -1.353 -18.465 661 HB THR 89 HB THR 89 -3.999 -0.698 -20.388 662 HG1 THR 89 HG1 THR 89 -3.379 -2.935 -18.935 663 HG21 THR 89 3HG2 THR 89 -1.773 -0.408 -21.450 664 HG22 THR 89 1HG2 THR 89 -2.608 -1.820 -22.102 665 HG23 THR 89 2HG2 THR 89 -1.310 -2.028 -20.926 666 H ARG 90 H ARG 90 -3.963 1.371 -19.055 667 HA ARG 90 HA ARG 90 -1.751 3.235 -19.546 668 HB2 ARG 90 1HB ARG 90 -4.782 3.601 -19.567 669 HB3 ARG 90 2HB ARG 90 -3.647 4.924 -19.821 670 HG2 ARG 90 1HG ARG 90 -3.986 2.476 -21.595 671 HG3 ARG 90 2HG ARG 90 -4.481 4.130 -21.967 672 HD2 ARG 90 1HD ARG 90 -1.630 3.118 -21.626 673 HD3 ARG 90 2HD ARG 90 -2.401 3.618 -23.133 674 HE ARG 90 HE ARG 90 -2.567 5.897 -22.052 675 HH11 ARG 90 1HH1 ARG 90 0.049 3.705 -21.248 676 HH12 ARG 90 2HH1 ARG 90 1.126 4.981 -20.790 677 HH21 ARG 90 1HH2 ARG 90 -1.153 7.543 -21.427 678 HH22 ARG 90 2HH2 ARG 90 0.452 7.157 -20.896 679 H VAL 91 H VAL 91 -1.359 2.189 -17.185 680 HA VAL 91 HA VAL 91 -2.516 3.508 -14.952 681 HB VAL 91 HB VAL 91 -1.490 1.330 -14.644 682 HG11 VAL 91 1HG1 VAL 91 0.936 0.906 -14.870 683 HG12 VAL 91 2HG1 VAL 91 1.172 2.547 -15.480 684 HG13 VAL 91 3HG1 VAL 91 0.214 1.391 -16.410 685 HG21 VAL 91 3HG2 VAL 91 -1.417 2.824 -12.682 686 HG22 VAL 91 1HG2 VAL 91 0.169 3.421 -13.169 687 HG23 VAL 91 2HG2 VAL 91 -0.032 1.734 -12.686 688 H HIS 92 H HIS 92 -2.018 5.386 -14.053 689 HA HIS 92 HA HIS 92 -0.090 7.213 -15.185 690 HB2 HIS 92 1HB HIS 92 -1.874 7.452 -12.713 691 HB3 HIS 92 2HB HIS 92 -0.880 8.754 -13.359 692 HD1 HIS 92 HD1 HIS 92 -2.824 10.284 -13.876 693 HD2 HIS 92 HD2 HIS 92 -3.160 6.595 -15.751 694 HE1 HIS 92 HE1 HIS 92 -4.758 10.506 -15.449 695 HE2 HIS 92 HE2 HIS 92 -5.066 8.204 -16.418 696 H LYS 93 H LYS 93 1.883 7.830 -14.251 697 HA LYS 93 HA LYS 93 3.071 5.845 -12.470 698 HB2 LYS 93 1HB LYS 93 5.242 7.241 -12.960 699 HB3 LYS 93 2HB LYS 93 4.556 6.228 -14.215 700 HG2 LYS 93 1HG LYS 93 5.303 8.320 -15.177 701 HG3 LYS 93 2HG LYS 93 3.546 8.218 -15.280 702 HD2 LYS 93 1HD LYS 93 3.287 9.785 -13.445 703 HD3 LYS 93 2HD LYS 93 5.021 9.776 -13.127 704 HE2 LYS 93 1HE LYS 93 3.719 10.819 -15.666 705 HE3 LYS 93 2HE LYS 93 4.279 11.817 -14.324 706 HZ1 LYS 93 3HZ LYS 93 6.526 11.061 -14.720 707 HZ2 LYS 93 1HZ LYS 93 5.877 11.722 -16.139 708 HZ3 LYS 93 2HZ LYS 93 6.002 10.050 -15.970 709 H GLU 94 H GLU 94 1.258 7.025 -10.983 710 HA GLU 94 HA GLU 94 2.198 9.213 -9.394 711 HB2 GLU 94 1HB GLU 94 0.014 7.214 -8.688 712 HB3 GLU 94 2HB GLU 94 0.220 8.835 -8.030 713 HG2 GLU 94 1HG GLU 94 -0.664 8.060 -10.822 714 HG3 GLU 94 2HG GLU 94 -1.614 8.873 -9.582 715 H TYR 95 H TYR 95 2.977 5.941 -9.552 716 HA TYR 95 HA TYR 95 3.613 5.140 -6.997 717 HB2 TYR 95 1HB TYR 95 3.887 3.529 -8.750 718 HB3 TYR 95 2HB TYR 95 4.955 4.584 -9.670 719 HD1 TYR 95 HD2 TYR 95 4.842 2.838 -6.317 720 HD2 TYR 95 HD1 TYR 95 7.278 4.133 -9.580 721 HE1 TYR 95 HE2 TYR 95 6.805 1.798 -5.274 722 HE2 TYR 95 HE1 TYR 95 9.236 3.101 -8.528 723 HH TYR 95 HH TYR 95 9.951 2.456 -6.204 724 H ASP 96 H ASP 96 5.520 7.259 -9.197 725 HA ASP 96 HA ASP 96 7.861 7.426 -7.713 726 HB2 ASP 96 1HB ASP 96 6.560 9.520 -9.501 727 HB3 ASP 96 2HB ASP 96 8.214 9.638 -8.903 728 H ALA 97 H ALA 97 4.879 9.361 -7.303 729 HA ALA 97 HA ALA 97 6.009 11.149 -5.339 730 HB1 ALA 97 3HB ALA 97 4.092 11.835 -6.715 731 HB2 ALA 97 1HB ALA 97 3.714 11.951 -4.996 732 HB3 ALA 97 2HB ALA 97 3.084 10.605 -5.953 733 H MET 98 H MET 98 3.815 8.344 -5.143 734 HA MET 98 HA MET 98 3.621 8.165 -2.348 735 HB2 MET 98 1HB MET 98 2.186 7.001 -4.089 736 HB3 MET 98 2HB MET 98 3.500 5.861 -4.338 737 HG2 MET 98 1HG MET 98 3.257 4.988 -2.104 738 HG3 MET 98 2HG MET 98 2.111 6.260 -1.669 739 HE1 MET 98 3HE MET 98 -0.300 3.179 -1.710 740 HE2 MET 98 1HE MET 98 0.269 4.578 -0.800 741 HE3 MET 98 2HE MET 98 1.354 3.216 -1.096 742 H PHE 99 H PHE 99 5.955 6.832 -4.544 743 HA PHE 99 HA PHE 99 7.629 5.340 -2.886 744 HB2 PHE 99 1HB PHE 99 7.947 5.352 -5.324 745 HB3 PHE 99 2HB PHE 99 8.384 7.053 -5.300 746 HD1 PHE 99 HD2 PHE 99 9.547 3.630 -4.457 747 HD2 PHE 99 HD1 PHE 99 10.659 7.756 -4.703 748 HE1 PHE 99 HE2 PHE 99 11.919 3.018 -4.216 749 HE2 PHE 99 HE1 PHE 99 13.023 7.129 -4.455 750 HZ PHE 99 HZ PHE 99 13.656 4.756 -4.208 751 H GLU 100 H GLU 100 7.772 8.822 -3.695 752 HA GLU 100 HA GLU 100 9.982 9.376 -1.977 753 HB2 GLU 100 1HB GLU 100 8.043 11.334 -3.230 754 HB3 GLU 100 2HB GLU 100 9.514 11.768 -2.360 755 HG2 GLU 100 1HG GLU 100 10.782 10.380 -4.110 756 HG3 GLU 100 2HG GLU 100 9.283 10.345 -5.025 757 H ASP 101 H ASP 101 6.546 9.284 -1.512 758 HA ASP 101 HA ASP 101 6.451 10.745 0.942 759 HB2 ASP 101 1HB ASP 101 4.461 10.254 -0.584 760 HB3 ASP 101 2HB ASP 101 4.495 8.595 0.004 761 H ILE 102 H ILE 102 6.287 7.240 0.234 762 HA ILE 102 HA ILE 102 6.477 6.289 2.846 763 HB ILE 102 HB ILE 102 7.256 4.925 0.235 764 HG12 ILE 102 1HG1 ILE 102 4.729 4.773 1.955 765 HG13 ILE 102 2HG1 ILE 102 4.868 5.554 0.386 766 HG21 ILE 102 1HG2 ILE 102 7.138 2.749 1.421 767 HG22 ILE 102 2HG2 ILE 102 6.900 3.592 2.954 768 HG23 ILE 102 3HG2 ILE 102 8.422 3.764 2.079 769 HD11 ILE 102 3HD1 ILE 102 3.707 3.461 0.193 770 HD12 ILE 102 1HD1 ILE 102 5.048 2.593 0.936 771 HD13 ILE 102 2HD1 ILE 102 5.252 3.351 -0.644 772 H ARG 103 H ARG 103 9.117 6.968 0.544 773 HA ARG 103 HA ARG 103 11.241 6.028 2.215 774 HB2 ARG 103 1HB ARG 103 12.850 7.136 0.794 775 HB3 ARG 103 2HB ARG 103 11.620 6.366 -0.183 776 HG2 ARG 103 1HG ARG 103 12.016 8.358 -1.288 777 HG3 ARG 103 2HG ARG 103 10.551 8.681 -0.370 778 HD2 ARG 103 1HD ARG 103 12.036 10.588 -0.272 779 HD3 ARG 103 2HD ARG 103 11.891 9.878 1.326 780 HE ARG 103 HE ARG 103 14.175 9.055 -0.303 781 HH11 ARG 103 1HH1 ARG 103 13.025 11.024 2.386 782 HH12 ARG 103 2HH1 ARG 103 14.618 11.340 2.985 783 HH21 ARG 103 1HH2 ARG 103 16.247 9.487 0.499 784 HH22 ARG 103 2HH2 ARG 103 16.444 10.476 1.908 785 H ALA 104 H ALA 104 9.430 8.950 2.200 786 HA ALA 104 HA ALA 104 11.159 10.509 3.893 787 HB1 ALA 104 3HB ALA 104 8.250 10.941 3.129 788 HB2 ALA 104 1HB ALA 104 9.649 11.558 2.242 789 HB3 ALA 104 2HB ALA 104 9.320 12.128 3.875 790 H LYS 105 H LYS 105 8.007 8.800 4.367 791 HA LYS 105 HA LYS 105 7.720 9.048 7.086 792 HB2 LYS 105 1HB LYS 105 6.985 6.630 5.386 793 HB3 LYS 105 2HB LYS 105 6.286 7.037 6.946 794 HG2 LYS 105 1HG LYS 105 5.957 8.596 4.360 795 HG3 LYS 105 2HG LYS 105 4.742 7.577 5.127 796 HD2 LYS 105 1HD LYS 105 5.897 10.144 6.286 797 HD3 LYS 105 2HD LYS 105 4.324 9.988 5.503 798 HE2 LYS 105 1HE LYS 105 3.590 8.439 7.285 799 HE3 LYS 105 2HE LYS 105 5.169 8.578 8.063 800 HZ1 LYS 105 3HZ LYS 105 3.537 10.022 9.096 801 HZ2 LYS 105 1HZ LYS 105 3.259 10.811 7.627 802 HZ3 LYS 105 2HZ LYS 105 4.766 10.932 8.379 803 H LEU 106 H LEU 106 9.528 6.565 5.306 804 HA LEU 106 HA LEU 106 10.464 5.032 7.455 805 HB2 LEU 106 1HB LEU 106 11.295 5.393 4.606 806 HB3 LEU 106 2HB LEU 106 12.547 4.775 5.661 807 HG LEU 106 HG LEU 106 11.061 2.865 6.291 808 HD11 LEU 106 1HD1 LEU 106 8.878 3.907 5.865 809 HD12 LEU 106 2HD1 LEU 106 9.049 2.379 5.013 810 HD13 LEU 106 3HD1 LEU 106 9.206 3.900 4.132 811 HD21 LEU 106 3HD2 LEU 106 11.566 3.143 3.308 812 HD22 LEU 106 1HD2 LEU 106 11.299 1.629 4.180 813 HD23 LEU 106 2HD2 LEU 106 12.733 2.596 4.514 814 H HIS 107 H HIS 107 11.577 8.120 6.255 815 HA HIS 107 HA HIS 107 14.048 8.181 7.749 816 HB2 HIS 107 1HB HIS 107 13.642 9.472 5.612 817 HB3 HIS 107 2HB HIS 107 12.534 10.515 6.491 818 HD1 HIS 107 HD1 HIS 107 16.202 9.650 6.232 819 HD2 HIS 107 HD2 HIS 107 13.773 12.544 7.968 820 HE1 HIS 107 HE1 HIS 107 17.766 11.424 7.087 821 HE2 HIS 107 HE2 HIS 107 16.269 13.197 8.056 822 H ALA 108 H ALA 108 10.752 8.721 8.505 823 HA ALA 108 HA ALA 108 9.684 8.966 10.473 824 HB1 ALA 108 3HB ALA 108 10.767 9.528 12.606 825 HB2 ALA 108 1HB ALA 108 12.285 9.859 11.769 826 HB3 ALA 108 2HB ALA 108 11.632 8.222 11.798 827 H HIS 109 H HIS 109 12.055 11.554 9.827 828 HA HIS 109 HA HIS 109 9.955 13.597 10.093 829 HB2 HIS 109 1HB HIS 109 12.954 13.830 9.645 830 HB3 HIS 109 2HB HIS 109 11.856 15.210 9.664 831 HD1 HIS 109 HD1 HIS 109 12.637 16.348 11.772 832 HD2 HIS 109 HD2 HIS 109 11.824 12.322 12.389 833 HE1 HIS 109 HE1 HIS 109 12.787 16.001 14.249 834 HE2 HIS 109 HE2 HIS 109 12.134 13.600 14.605 835 HA PRO 110 HA PRO 110 9.414 12.571 5.740 836 HB2 PRO 110 1HB PRO 110 7.042 13.815 5.302 837 HB3 PRO 110 2HB PRO 110 7.171 12.363 6.305 838 HG2 PRO 110 1HG PRO 110 7.040 15.250 7.169 839 HG3 PRO 110 2HG PRO 110 6.144 13.852 7.807 840 HD2 PRO 110 1HD PRO 110 8.396 14.846 9.008 841 HD3 PRO 110 2HD PRO 110 7.953 13.128 9.090 842 H GLY 111 H GLY 111 10.491 13.431 4.113 843 HA2 GLY 111 1HA GLY 111 10.586 16.322 3.560 844 HA3 GLY 111 2HA GLY 111 11.548 15.059 2.793 845 H GLU 112 H GLU 112 8.357 16.508 2.967 846 HA GLU 112 HA GLU 112 7.050 14.944 1.039 847 HB2 GLU 112 1HB GLU 112 5.316 16.657 1.001 848 HB3 GLU 112 2HB GLU 112 5.837 16.365 2.652 849 HG2 GLU 112 1HG GLU 112 6.619 18.754 0.946 850 HG3 GLU 112 2HG GLU 112 5.387 18.751 2.199 851 HA PRO 113 HA PRO 113 9.054 16.496 -2.732 852 HB2 PRO 113 1HB PRO 113 7.332 15.348 -4.575 853 HB3 PRO 113 2HB PRO 113 8.625 14.463 -3.757 854 HG2 PRO 113 1HG PRO 113 5.688 14.582 -3.083 855 HG3 PRO 113 2HG PRO 113 6.769 13.171 -3.131 856 HD2 PRO 113 1HD PRO 113 6.107 14.366 -0.796 857 HD3 PRO 113 2HD PRO 113 7.724 13.672 -1.048 858 H VAL 114 H VAL 114 8.765 18.686 -2.785 859 HA VAL 114 HA VAL 114 6.209 19.956 -3.281 860 HB VAL 114 HB VAL 114 8.018 21.058 -1.917 861 HG11 VAL 114 1HG1 VAL 114 9.999 20.418 -3.234 862 HG12 VAL 114 2HG1 VAL 114 9.937 22.164 -2.993 863 HG13 VAL 114 3HG1 VAL 114 9.480 21.473 -4.552 864 HG21 VAL 114 3HG2 VAL 114 7.116 22.682 -4.329 865 HG22 VAL 114 1HG2 VAL 114 7.699 23.346 -2.799 866 HG23 VAL 114 2HG2 VAL 114 6.196 22.426 -2.845 867 H ASP 115 H ASP 115 5.667 21.144 -5.253 868 HA ASP 115 HA ASP 115 6.950 20.004 -7.685 869 HB2 ASP 115 1HB ASP 115 4.771 19.563 -8.654 870 HB3 ASP 115 2HB ASP 115 4.821 18.818 -7.063 871 H LEU 116 H LEU 116 6.994 22.791 -6.311 872 HA LEU 116 HA LEU 116 5.596 24.618 -7.944 873 HB2 LEU 116 1HB LEU 116 6.993 26.378 -6.975 874 HB3 LEU 116 2HB LEU 116 6.402 25.267 -5.760 875 HG LEU 116 HG LEU 116 8.818 24.165 -5.991 876 HD11 LEU 116 1HD1 LEU 116 10.620 25.786 -6.451 877 HD12 LEU 116 2HD1 LEU 116 9.422 26.987 -6.948 878 HD13 LEU 116 3HD1 LEU 116 9.629 25.504 -7.882 879 HD21 LEU 116 3HD2 LEU 116 7.961 25.173 -3.927 880 HD22 LEU 116 1HD2 LEU 116 8.388 26.783 -4.512 881 HD23 LEU 116 2HD2 LEU 116 9.653 25.601 -4.166 882 H GLU 117 H GLU 117 8.806 23.179 -8.310 883 HA GLU 117 HA GLU 117 9.459 24.667 -10.720 884 HB2 GLU 117 1HB GLU 117 11.229 23.890 -9.138 885 HB3 GLU 117 2HB GLU 117 10.803 22.218 -9.493 886 HG2 GLU 117 1HG GLU 117 11.440 22.616 -11.887 887 HG3 GLU 117 2HG GLU 117 11.981 24.233 -11.443 888 H ARG 118 H ARG 118 8.012 21.596 -9.877 889 HA ARG 118 HA ARG 118 8.300 20.234 -12.348 890 HB2 ARG 118 1HB ARG 118 7.754 19.171 -10.131 891 HB3 ARG 118 2HB ARG 118 6.128 19.833 -10.248 892 HG2 ARG 118 1HG ARG 118 5.791 18.498 -12.348 893 HG3 ARG 118 2HG ARG 118 7.387 17.784 -12.107 894 HD2 ARG 118 1HD ARG 118 6.580 16.939 -9.866 895 HD3 ARG 118 2HD ARG 118 4.963 17.511 -10.298 896 HE ARG 118 HE ARG 118 6.380 15.584 -12.028 897 HH11 ARG 118 1HH1 ARG 118 3.536 16.358 -10.116 898 HH12 ARG 118 2HH1 ARG 118 2.770 14.837 -10.434 899 HH21 ARG 118 1HH2 ARG 118 5.370 13.611 -12.431 900 HH22 ARG 118 2HH2 ARG 118 3.813 13.283 -11.745 901 H ILE 119 H ILE 119 5.956 22.555 -11.184 902 HA ILE 119 HA ILE 119 4.078 22.323 -13.336 903 HB ILE 119 HB ILE 119 4.596 24.644 -11.414 904 HG12 ILE 119 1HG1 ILE 119 3.896 22.604 -10.217 905 HG13 ILE 119 2HG1 ILE 119 2.592 23.780 -10.179 906 HG21 ILE 119 1HG2 ILE 119 3.434 25.485 -13.405 907 HG22 ILE 119 2HG2 ILE 119 2.337 25.486 -12.023 908 HG23 ILE 119 3HG2 ILE 119 2.206 24.228 -13.256 909 HD11 ILE 119 3HD1 ILE 119 1.730 21.568 -10.539 910 HD12 ILE 119 1HD1 ILE 119 2.756 21.339 -11.952 911 HD13 ILE 119 2HD1 ILE 119 1.455 22.533 -11.987 912 H ILE 120 H ILE 120 7.103 24.048 -12.839 913 HA ILE 120 HA ILE 120 6.879 25.742 -15.170 914 HB ILE 120 HB ILE 120 9.407 25.058 -13.586 915 HG12 ILE 120 1HG1 ILE 120 7.514 27.431 -13.172 916 HG13 ILE 120 2HG1 ILE 120 7.607 26.031 -12.109 917 HG21 ILE 120 1HG2 ILE 120 8.799 27.412 -15.431 918 HG22 ILE 120 2HG2 ILE 120 9.878 26.064 -15.796 919 HG23 ILE 120 3HG2 ILE 120 10.289 27.196 -14.509 920 HD11 ILE 120 3HD1 ILE 120 8.782 27.949 -11.191 921 HD12 ILE 120 1HD1 ILE 120 9.828 28.019 -12.607 922 HD13 ILE 120 2HD1 ILE 120 9.905 26.630 -11.517 923 H ARG 121 H ARG 121 6.269 24.006 -16.617 924 HA ARG 121 HA ARG 121 8.625 22.756 -17.922 925 HB2 ARG 121 1HB ARG 121 5.700 21.874 -18.065 926 HB3 ARG 121 2HB ARG 121 7.029 21.147 -18.963 927 HG2 ARG 121 1HG ARG 121 8.062 20.452 -16.798 928 HG3 ARG 121 2HG ARG 121 6.657 21.105 -15.949 929 HD2 ARG 121 1HD ARG 121 6.484 18.656 -16.258 930 HD3 ARG 121 2HD ARG 121 5.189 19.512 -17.108 931 HE ARG 121 HE ARG 121 7.578 18.848 -18.648 932 HH11 ARG 121 1HH1 ARG 121 4.279 17.909 -17.892 933 HH12 ARG 121 2HH1 ARG 121 4.110 16.945 -19.325 934 HH21 ARG 121 1HH2 ARG 121 7.336 17.609 -20.509 935 HH22 ARG 121 2HH2 ARG 121 5.848 16.766 -20.807 936 H HIS 122 H HIS 122 9.147 24.500 -19.223 937 HA HIS 122 HA HIS 122 7.269 26.245 -20.440 938 HB2 HIS 122 1HB HIS 122 9.573 26.962 -19.993 939 HB3 HIS 122 2HB HIS 122 10.206 25.744 -21.093 940 HD1 HIS 122 HD1 HIS 122 10.681 26.572 -23.387 941 HD2 HIS 122 HD2 HIS 122 7.874 28.957 -21.466 942 HE1 HIS 122 HE1 HIS 122 10.178 28.431 -24.982 943 HE2 HIS 122 HE2 HIS 122 8.638 29.965 -23.721 944 H GLU 123 H GLU 123 6.118 26.010 -22.259 945 HA GLU 123 HA GLU 123 6.406 23.630 -23.919 946 HB2 GLU 123 1HB GLU 123 4.163 24.293 -23.093 947 HB3 GLU 123 2HB GLU 123 4.300 25.844 -23.905 948 HG2 GLU 123 1HG GLU 123 2.831 24.261 -25.109 949 HG3 GLU 123 2HG GLU 123 4.210 24.775 -26.084 950 H GLY 124 H GLY 124 6.869 23.669 -26.108 951 HA2 GLY 124 1HA GLY 124 7.247 26.082 -27.628 952 HA3 GLY 124 2HA GLY 124 8.770 25.331 -27.149 953 H SER 125 H SER 125 8.274 22.678 -27.327 954 HA SER 125 HA SER 125 7.161 21.925 -29.875 955 HB2 SER 125 1HB SER 125 9.398 21.187 -30.839 956 HB3 SER 125 2HB SER 125 9.199 22.933 -30.738 957 HG SER 125 HG SER 125 10.294 21.922 -28.468 Start of MODEL 17 1 H1 GLN 1 1H GLN 1 -12.560 10.265 4.585 2 H2 GLN 1 2H GLN 1 -13.968 9.373 4.331 3 H3 GLN 1 3H GLN 1 -13.803 10.310 5.729 4 HA GLN 1 HA GLN 1 -15.274 11.287 4.091 5 HB2 GLN 1 1HB GLN 1 -14.380 13.562 4.205 6 HB3 GLN 1 2HB GLN 1 -14.127 12.726 5.724 7 HG2 GLN 1 1HG GLN 1 -12.011 13.338 3.632 8 HG3 GLN 1 2HG GLN 1 -12.230 14.170 5.163 9 HE21 GLN 1 2HE2 GLN 1 -11.001 11.335 3.584 10 HE22 GLN 1 1HE2 GLN 1 -10.150 10.688 4.946 11 H GLY 2 H GLY 2 -15.718 10.869 2.035 12 HA2 GLY 2 1HA GLY 2 -15.623 10.985 -0.256 13 HA3 GLY 2 2HA GLY 2 -14.055 11.772 -0.146 14 H HIS 3 H HIS 3 -14.592 9.886 -2.108 15 HA HIS 3 HA HIS 3 -13.166 7.425 -1.270 16 HB2 HIS 3 1HB HIS 3 -13.895 6.425 -3.362 17 HB3 HIS 3 2HB HIS 3 -15.281 7.120 -2.541 18 HD1 HIS 3 HD1 HIS 3 -12.928 7.947 -5.430 19 HD2 HIS 3 HD2 HIS 3 -16.810 8.716 -4.160 20 HE1 HIS 3 HE1 HIS 3 -14.023 9.181 -7.317 21 HE2 HIS 3 HE2 HIS 3 -16.339 9.697 -6.495 22 H MET 4 H MET 4 -11.963 10.139 -1.657 23 HA MET 4 HA MET 4 -10.054 9.694 -3.847 24 HB2 MET 4 1HB MET 4 -11.343 11.922 -3.492 25 HB3 MET 4 2HB MET 4 -10.309 12.179 -2.097 26 HG2 MET 4 1HG MET 4 -9.481 13.443 -3.989 27 HG3 MET 4 2HG MET 4 -8.330 12.177 -3.590 28 HE1 MET 4 3HE MET 4 -8.205 9.984 -6.739 29 HE2 MET 4 1HE MET 4 -8.600 9.637 -5.054 30 HE3 MET 4 2HE MET 4 -7.259 10.715 -5.442 31 H PHE 5 H PHE 5 -7.748 10.543 -3.193 32 HA PHE 5 HA PHE 5 -6.692 8.859 -1.116 33 HB2 PHE 5 1HB PHE 5 -5.359 9.019 -3.094 34 HB3 PHE 5 2HB PHE 5 -5.546 10.762 -3.201 35 HD1 PHE 5 HD1 PHE 5 -3.750 8.036 -1.422 36 HD2 PHE 5 HD2 PHE 5 -3.985 12.258 -2.080 37 HE1 PHE 5 HE1 PHE 5 -1.565 8.337 -0.347 38 HE2 PHE 5 HE2 PHE 5 -1.798 12.541 -1.004 39 HZ PHE 5 HZ PHE 5 -0.581 10.586 -0.137 40 H GLU 6 H GLU 6 -6.017 9.482 0.886 41 HA GLU 6 HA GLU 6 -5.977 12.343 1.651 42 HB2 GLU 6 1HB GLU 6 -6.836 11.633 3.883 43 HB3 GLU 6 2HB GLU 6 -7.966 11.218 2.597 44 HG2 GLU 6 1HG GLU 6 -6.964 8.878 2.635 45 HG3 GLU 6 2HG GLU 6 -6.118 9.346 4.103 46 HA PRO 7 HA PRO 7 -1.716 11.621 2.979 47 HB2 PRO 7 1HB PRO 7 -1.604 13.095 5.343 48 HB3 PRO 7 2HB PRO 7 -1.488 13.788 3.724 49 HG2 PRO 7 1HG PRO 7 -3.901 13.581 5.521 50 HG3 PRO 7 2HG PRO 7 -3.343 14.960 4.547 51 HD2 PRO 7 1HD PRO 7 -5.350 13.405 3.687 52 HD3 PRO 7 2HD PRO 7 -4.141 14.027 2.539 53 H GLY 8 H GLY 8 -1.358 9.491 3.580 54 HA2 GLY 8 1HA GLY 8 -0.573 8.147 5.428 55 HA3 GLY 8 2HA GLY 8 -1.928 8.710 6.395 56 H HIS 9 H HIS 9 -3.246 8.261 3.421 57 HA HIS 9 HA HIS 9 -3.727 5.420 3.490 58 HB2 HIS 9 1HB HIS 9 -5.065 6.180 5.437 59 HB3 HIS 9 2HB HIS 9 -5.930 7.312 4.411 60 HD1 HIS 9 HD1 HIS 9 -8.239 6.397 4.428 61 HD2 HIS 9 HD2 HIS 9 -5.415 3.431 3.774 62 HE1 HIS 9 HE1 HIS 9 -9.539 4.289 4.071 63 HE2 HIS 9 HE2 HIS 9 -7.791 2.493 4.003 64 H LEU 10 H LEU 10 -4.262 4.805 1.466 65 HA LEU 10 HA LEU 10 -4.829 6.821 -0.598 66 HB2 LEU 10 1HB LEU 10 -2.769 5.580 -0.953 67 HB3 LEU 10 2HB LEU 10 -3.561 4.050 -0.629 68 HG LEU 10 HG LEU 10 -4.840 4.282 -2.777 69 HD11 LEU 10 1HD1 LEU 10 -4.857 6.717 -3.021 70 HD12 LEU 10 2HD1 LEU 10 -4.156 5.962 -4.449 71 HD13 LEU 10 3HD1 LEU 10 -3.106 6.730 -3.256 72 HD21 LEU 10 3HD2 LEU 10 -1.816 4.402 -3.068 73 HD22 LEU 10 1HD2 LEU 10 -2.945 3.763 -4.267 74 HD23 LEU 10 2HD2 LEU 10 -2.772 2.960 -2.709 75 H HIS 11 H HIS 11 -6.664 6.577 -1.912 76 HA HIS 11 HA HIS 11 -8.258 4.095 -1.622 77 HB2 HIS 11 1HB HIS 11 -9.217 6.397 -0.727 78 HB3 HIS 11 2HB HIS 11 -9.498 6.750 -2.419 79 HD1 HIS 11 HD1 HIS 11 -11.567 6.086 0.081 80 HD2 HIS 11 HD2 HIS 11 -10.783 3.812 -3.308 81 HE1 HIS 11 HE1 HIS 11 -13.596 4.666 -0.264 82 HE2 HIS 11 HE2 HIS 11 -13.180 3.434 -2.410 83 H LEU 12 H LEU 12 -8.100 2.898 -3.474 84 HA LEU 12 HA LEU 12 -7.554 4.151 -6.066 85 HB2 LEU 12 1HB LEU 12 -7.934 1.216 -5.345 86 HB3 LEU 12 2HB LEU 12 -7.459 1.815 -6.920 87 HG LEU 12 HG LEU 12 -5.787 1.965 -4.376 88 HD11 LEU 12 1HD1 LEU 12 -5.929 -0.327 -5.298 89 HD12 LEU 12 2HD1 LEU 12 -4.308 0.336 -5.493 90 HD13 LEU 12 3HD1 LEU 12 -5.400 0.265 -6.878 91 HD21 LEU 12 3HD2 LEU 12 -3.981 2.833 -5.809 92 HD22 LEU 12 1HD2 LEU 12 -5.364 3.925 -5.800 93 HD23 LEU 12 2HD2 LEU 12 -5.077 2.873 -7.190 94 H VAL 13 H VAL 13 -9.376 5.070 -6.907 95 HA VAL 13 HA VAL 13 -11.663 3.255 -7.474 96 HB VAL 13 HB VAL 13 -11.828 6.296 -7.122 97 HG11 VAL 13 1HG1 VAL 13 -13.409 5.519 -8.849 98 HG12 VAL 13 2HG1 VAL 13 -14.285 6.028 -7.407 99 HG13 VAL 13 3HG1 VAL 13 -14.059 4.309 -7.741 100 HG21 VAL 13 3HG2 VAL 13 -13.258 5.809 -5.149 101 HG22 VAL 13 1HG2 VAL 13 -11.621 5.176 -4.954 102 HG23 VAL 13 2HG2 VAL 13 -12.945 4.082 -5.361 103 H SER 14 H SER 14 -12.538 3.517 -9.699 104 HA SER 14 HA SER 14 -10.412 4.060 -11.572 105 HB2 SER 14 1HB SER 14 -11.818 2.045 -11.840 106 HB3 SER 14 2HB SER 14 -13.260 3.039 -11.994 107 HG SER 14 HG SER 14 -12.642 3.645 -13.980 108 H LEU 15 H LEU 15 -10.877 5.409 -13.483 109 HA LEU 15 HA LEU 15 -11.213 8.049 -12.909 110 HB2 LEU 15 1HB LEU 15 -11.615 8.273 -15.503 111 HB3 LEU 15 2HB LEU 15 -10.091 7.672 -14.883 112 HG LEU 15 HG LEU 15 -10.953 5.304 -15.318 113 HD11 LEU 15 1HD1 LEU 15 -13.346 5.696 -15.502 114 HD12 LEU 15 2HD1 LEU 15 -12.727 4.976 -16.985 115 HD13 LEU 15 3HD1 LEU 15 -13.102 6.700 -16.935 116 HD21 LEU 15 3HD2 LEU 15 -10.580 7.110 -17.726 117 HD22 LEU 15 1HD2 LEU 15 -10.382 5.354 -17.701 118 HD23 LEU 15 2HD2 LEU 15 -9.297 6.373 -16.761 119 HA PRO 16 HA PRO 16 -15.694 8.828 -12.676 120 HB2 PRO 16 1HB PRO 16 -15.687 11.556 -12.800 121 HB3 PRO 16 2HB PRO 16 -15.128 10.680 -11.367 122 HG2 PRO 16 1HG PRO 16 -13.500 11.860 -13.622 123 HG3 PRO 16 2HG PRO 16 -13.243 12.000 -11.867 124 HD2 PRO 16 1HD PRO 16 -11.864 10.217 -13.395 125 HD3 PRO 16 2HD PRO 16 -12.308 9.860 -11.711 126 H GLY 17 H GLY 17 -17.012 10.943 -14.034 127 HA2 GLY 17 1HA GLY 17 -17.755 11.658 -16.126 128 HA3 GLY 17 2HA GLY 17 -16.458 10.749 -16.895 129 H LEU 18 H LEU 18 -16.689 8.293 -16.591 130 HA LEU 18 HA LEU 18 -19.503 7.373 -16.658 131 HB2 LEU 18 1HB LEU 18 -18.467 7.216 -18.904 132 HB3 LEU 18 2HB LEU 18 -17.123 6.301 -18.241 133 HG LEU 18 HG LEU 18 -18.677 4.419 -17.683 134 HD11 LEU 18 1HD1 LEU 18 -20.757 5.671 -17.344 135 HD12 LEU 18 2HD1 LEU 18 -20.988 4.405 -18.546 136 HD13 LEU 18 3HD1 LEU 18 -20.817 6.084 -19.062 137 HD21 LEU 18 3HD2 LEU 18 -19.079 3.630 -19.976 138 HD22 LEU 18 1HD2 LEU 18 -17.491 4.383 -19.844 139 HD23 LEU 18 2HD2 LEU 18 -18.823 5.259 -20.605 140 H ASP 19 H ASP 19 -19.941 6.130 -14.942 141 HA ASP 19 HA ASP 19 -17.946 4.904 -13.279 142 HB2 ASP 19 1HB ASP 19 -19.892 3.954 -12.024 143 HB3 ASP 19 2HB ASP 19 -19.990 5.694 -12.231 144 H GLN 20 H GLN 20 -16.768 3.545 -14.564 145 HA GLN 20 HA GLN 20 -17.956 1.753 -16.463 146 HB2 GLN 20 1HB GLN 20 -15.803 2.993 -16.834 147 HB3 GLN 20 2HB GLN 20 -15.040 1.971 -15.623 148 HG2 GLN 20 1HG GLN 20 -14.521 1.215 -17.897 149 HG3 GLN 20 2HG GLN 20 -15.422 -0.012 -17.006 150 HE21 GLN 20 2HE2 GLN 20 -17.558 -0.479 -17.634 151 HE22 GLN 20 1HE2 GLN 20 -18.214 0.035 -19.147 152 H GLN 21 H GLN 21 -15.992 1.266 -13.502 153 HA GLN 21 HA GLN 21 -17.385 -1.241 -12.934 154 HB2 GLN 21 1HB GLN 21 -15.395 -1.889 -14.383 155 HB3 GLN 21 2HB GLN 21 -14.333 -1.248 -13.136 156 HG2 GLN 21 1HG GLN 21 -15.158 -2.916 -11.540 157 HG3 GLN 21 2HG GLN 21 -16.303 -3.530 -12.730 158 HE21 GLN 21 2HE2 GLN 21 -14.240 -4.990 -11.336 159 HE22 GLN 21 1HE2 GLN 21 -13.192 -5.645 -12.538 160 H ASP 22 H ASP 22 -17.129 -1.910 -10.710 161 HA ASP 22 HA ASP 22 -16.950 0.460 -9.006 162 HB2 ASP 22 1HB ASP 22 -19.028 -0.932 -9.060 163 HB3 ASP 22 2HB ASP 22 -18.112 -2.319 -8.488 164 H ILE 23 H ILE 23 -14.461 -0.112 -9.591 165 HA ILE 23 HA ILE 23 -13.306 -1.814 -7.494 166 HB ILE 23 HB ILE 23 -11.122 -1.447 -8.486 167 HG12 ILE 23 1HG1 ILE 23 -11.260 -0.131 -10.908 168 HG13 ILE 23 2HG1 ILE 23 -12.396 0.832 -9.972 169 HG21 ILE 23 1HG2 ILE 23 -13.182 -2.047 -10.631 170 HG22 ILE 23 2HG2 ILE 23 -12.532 -3.189 -9.456 171 HG23 ILE 23 3HG2 ILE 23 -11.475 -2.503 -10.688 172 HD11 ILE 23 3HD1 ILE 23 -10.215 1.826 -9.906 173 HD12 ILE 23 1HD1 ILE 23 -9.493 0.327 -9.324 174 HD13 ILE 23 2HD1 ILE 23 -10.610 1.227 -8.295 175 H ASN 24 H ASN 24 -13.032 -1.038 -5.568 176 HA ASN 24 HA ASN 24 -12.259 1.715 -5.044 177 HB2 ASN 24 1HB ASN 24 -14.094 2.094 -3.393 178 HB3 ASN 24 2HB ASN 24 -14.670 1.997 -5.048 179 HD21 ASN 24 2HD2 ASN 24 -15.839 0.089 -5.691 180 HD22 ASN 24 1HD2 ASN 24 -16.634 -0.892 -4.517 181 H ILE 25 H ILE 25 -10.646 1.568 -3.700 182 HA ILE 25 HA ILE 25 -10.322 -0.810 -1.963 183 HB ILE 25 HB ILE 25 -8.229 0.270 -3.912 184 HG12 ILE 25 1HG1 ILE 25 -9.813 -2.346 -3.959 185 HG13 ILE 25 2HG1 ILE 25 -9.948 -1.022 -5.104 186 HG21 ILE 25 1HG2 ILE 25 -7.142 -0.510 -1.866 187 HG22 ILE 25 2HG2 ILE 25 -6.807 -1.637 -3.177 188 HG23 ILE 25 3HG2 ILE 25 -8.007 -2.043 -1.951 189 HD11 ILE 25 3HD1 ILE 25 -8.741 -2.865 -6.047 190 HD12 ILE 25 1HD1 ILE 25 -7.566 -2.818 -4.733 191 HD13 ILE 25 2HD1 ILE 25 -7.673 -1.472 -5.872 192 H HIS 26 H HIS 26 -9.306 -0.391 -0.074 193 HA HIS 26 HA HIS 26 -8.229 2.317 0.470 194 HB2 HIS 26 1HB HIS 26 -9.042 0.140 2.460 195 HB3 HIS 26 2HB HIS 26 -8.606 1.802 2.840 196 HD1 HIS 26 HD1 HIS 26 -11.306 0.286 3.559 197 HD2 HIS 26 HD2 HIS 26 -10.804 3.055 0.532 198 HE1 HIS 26 HE1 HIS 26 -13.576 1.233 3.149 199 HE2 HIS 26 HE2 HIS 26 -13.282 2.719 1.149 200 H ILE 27 H ILE 27 -5.983 2.328 0.414 201 HA ILE 27 HA ILE 27 -4.528 -0.050 1.448 202 HB ILE 27 HB ILE 27 -3.509 1.897 -0.689 203 HG12 ILE 27 1HG1 ILE 27 -4.310 -1.043 -0.971 204 HG13 ILE 27 2HG1 ILE 27 -5.190 0.332 -1.635 205 HG21 ILE 27 1HG2 ILE 27 -1.687 1.117 0.784 206 HG22 ILE 27 2HG2 ILE 27 -1.515 0.420 -0.825 207 HG23 ILE 27 3HG2 ILE 27 -2.146 -0.566 0.496 208 HD11 ILE 27 3HD1 ILE 27 -3.930 -0.794 -3.354 209 HD12 ILE 27 1HD1 ILE 27 -2.429 -0.584 -2.452 210 HD13 ILE 27 2HD1 ILE 27 -3.279 0.824 -3.102 211 H ARG 28 H ARG 28 -3.871 0.508 3.448 212 HA ARG 28 HA ARG 28 -3.257 3.311 4.105 213 HB2 ARG 28 1HB ARG 28 -4.684 1.672 5.613 214 HB3 ARG 28 2HB ARG 28 -3.136 0.985 6.055 215 HG2 ARG 28 1HG ARG 28 -2.352 3.112 6.943 216 HG3 ARG 28 2HG ARG 28 -3.820 3.924 6.398 217 HD2 ARG 28 1HD ARG 28 -5.163 2.577 7.959 218 HD3 ARG 28 2HD ARG 28 -3.708 1.721 8.483 219 HE ARG 28 HE ARG 28 -2.876 3.863 9.342 220 HH11 ARG 28 1HH1 ARG 28 -6.329 3.659 8.815 221 HH12 ARG 28 2HH1 ARG 28 -6.700 4.858 10.010 222 HH21 ARG 28 1HH2 ARG 28 -3.366 5.418 10.900 223 HH22 ARG 28 2HH2 ARG 28 -5.015 5.873 11.175 224 H TYR 29 H TYR 29 -1.182 3.983 4.348 225 HA TYR 29 HA TYR 29 0.993 1.974 4.499 226 HB2 TYR 29 1HB TYR 29 2.407 3.593 3.182 227 HB3 TYR 29 2HB TYR 29 1.067 2.913 2.265 228 HD1 TYR 29 HD2 TYR 29 -0.976 4.362 1.777 229 HD2 TYR 29 HD1 TYR 29 2.569 5.989 3.525 230 HE1 TYR 29 HE2 TYR 29 -1.745 6.633 1.234 231 HE2 TYR 29 HE1 TYR 29 1.792 8.243 2.993 232 HH TYR 29 HH TYR 29 0.246 9.346 1.393 233 H GLU 30 H GLU 30 1.963 2.102 6.390 234 HA GLU 30 HA GLU 30 2.292 4.707 7.788 235 HB2 GLU 30 1HB GLU 30 1.696 2.014 9.120 236 HB3 GLU 30 2HB GLU 30 1.844 3.574 9.924 237 HG2 GLU 30 1HG GLU 30 -0.230 4.348 8.917 238 HG3 GLU 30 2HG GLU 30 -0.341 2.889 7.933 239 H VAL 31 H VAL 31 4.494 5.060 7.710 240 HA VAL 31 HA VAL 31 6.368 2.837 7.774 241 HB VAL 31 HB VAL 31 6.919 5.846 7.859 242 HG11 VAL 31 1HG1 VAL 31 9.277 5.222 7.310 243 HG12 VAL 31 2HG1 VAL 31 8.862 3.517 7.491 244 HG13 VAL 31 3HG1 VAL 31 8.783 4.594 8.885 245 HG21 VAL 31 3HG2 VAL 31 5.875 5.121 5.745 246 HG22 VAL 31 1HG2 VAL 31 7.088 3.855 5.556 247 HG23 VAL 31 2HG2 VAL 31 7.563 5.548 5.477 248 H ARG 32 H ARG 32 6.902 1.901 9.575 249 HA ARG 32 HA ARG 32 6.997 3.367 12.152 250 HB2 ARG 32 1HB ARG 32 4.945 1.881 11.957 251 HB3 ARG 32 2HB ARG 32 6.018 0.506 11.724 252 HG2 ARG 32 1HG ARG 32 7.037 1.228 14.045 253 HG3 ARG 32 2HG ARG 32 5.524 2.119 14.230 254 HD2 ARG 32 1HD ARG 32 4.282 -0.012 13.829 255 HD3 ARG 32 2HD ARG 32 5.838 -0.854 13.773 256 HE ARG 32 HE ARG 32 6.141 0.082 16.119 257 HH11 ARG 32 1HH1 ARG 32 2.967 -0.769 14.857 258 HH12 ARG 32 2HH1 ARG 32 2.325 -1.154 16.421 259 HH21 ARG 32 1HH2 ARG 32 5.280 -0.402 18.145 260 HH22 ARG 32 2HH2 ARG 32 3.642 -0.959 18.280 261 H GLN 33 H GLN 33 8.484 2.230 13.704 262 HA GLN 33 HA GLN 33 10.733 0.953 12.273 263 HB2 GLN 33 1HB GLN 33 10.906 2.552 14.856 264 HB3 GLN 33 2HB GLN 33 12.250 1.949 13.898 265 HG2 GLN 33 1HG GLN 33 10.317 4.138 13.078 266 HG3 GLN 33 2HG GLN 33 11.962 4.377 13.660 267 HE21 GLN 33 2HE2 GLN 33 9.984 3.539 10.959 268 HE22 GLN 33 1HE2 GLN 33 11.237 3.482 9.777 269 H ASN 34 H ASN 34 10.705 -1.161 12.656 270 HA ASN 34 HA ASN 34 9.981 -2.272 15.280 271 HB2 ASN 34 1HB ASN 34 10.198 -4.499 14.107 272 HB3 ASN 34 2HB ASN 34 8.987 -3.432 13.409 273 HD21 ASN 34 2HD2 ASN 34 9.126 -4.772 11.509 274 HD22 ASN 34 1HD2 ASN 34 10.401 -4.536 10.364 275 H ALA 35 H ALA 35 11.421 -3.658 16.429 276 HA ALA 35 HA ALA 35 14.209 -3.001 16.379 277 HB1 ALA 35 3HB ALA 35 13.041 -3.556 18.468 278 HB2 ALA 35 1HB ALA 35 14.409 -4.640 18.210 279 HB3 ALA 35 2HB ALA 35 12.764 -5.199 17.895 280 H GLU 36 H GLU 36 12.352 -5.255 14.626 281 HA GLU 36 HA GLU 36 14.227 -7.391 14.338 282 HB2 GLU 36 1HB GLU 36 11.818 -7.761 14.096 283 HB3 GLU 36 2HB GLU 36 11.736 -6.640 12.747 284 HG2 GLU 36 1HG GLU 36 11.616 -8.981 12.002 285 HG3 GLU 36 2HG GLU 36 13.030 -8.162 11.342 286 H SER 37 H SER 37 13.247 -4.717 12.161 287 HA SER 37 HA SER 37 15.537 -5.311 10.373 288 HB2 SER 37 1HB SER 37 13.410 -6.191 9.430 289 HB3 SER 37 2HB SER 37 12.699 -4.582 9.533 290 HG SER 37 HG SER 37 15.087 -4.641 8.175 291 H GLY 38 H GLY 38 14.294 -2.994 12.393 292 HA2 GLY 38 1HA GLY 38 14.967 -0.777 12.660 293 HA3 GLY 38 2HA GLY 38 15.625 -0.780 11.024 294 H ALA 39 H ALA 39 14.491 0.443 9.627 295 HA ALA 39 HA ALA 39 11.784 1.293 10.068 296 HB1 ALA 39 3HB ALA 39 13.388 2.713 8.845 297 HB2 ALA 39 1HB ALA 39 11.962 2.373 7.863 298 HB3 ALA 39 2HB ALA 39 13.476 1.522 7.546 299 H TYR 40 H TYR 40 9.904 0.542 9.162 300 HA TYR 40 HA TYR 40 9.932 -1.108 6.757 301 HB2 TYR 40 1HB TYR 40 8.844 -3.030 7.554 302 HB3 TYR 40 2HB TYR 40 9.954 -2.691 8.870 303 HD1 TYR 40 HD1 TYR 40 9.010 -1.513 10.971 304 HD2 TYR 40 HD2 TYR 40 6.461 -3.211 7.963 305 HE1 TYR 40 HE1 TYR 40 7.142 -1.567 12.557 306 HE2 TYR 40 HE2 TYR 40 4.615 -3.240 9.555 307 HH TYR 40 HH TYR 40 4.240 -3.270 11.918 308 H VAL 41 H VAL 41 7.530 -1.445 6.007 309 HA VAL 41 HA VAL 41 5.832 0.804 6.949 310 HB VAL 41 HB VAL 41 5.717 -0.224 4.082 311 HG11 VAL 41 1HG1 VAL 41 4.712 2.365 5.340 312 HG12 VAL 41 2HG1 VAL 41 3.719 0.971 4.906 313 HG13 VAL 41 3HG1 VAL 41 4.530 1.898 3.644 314 HG21 VAL 41 3HG2 VAL 41 7.345 2.148 5.059 315 HG22 VAL 41 1HG2 VAL 41 7.022 1.763 3.366 316 HG23 VAL 41 2HG2 VAL 41 7.977 0.661 4.358 317 H HIS 42 H HIS 42 3.927 0.167 7.698 318 HA HIS 42 HA HIS 42 2.888 -2.516 7.390 319 HB2 HIS 42 1HB HIS 42 2.742 -1.402 9.594 320 HB3 HIS 42 2HB HIS 42 1.885 -0.039 8.892 321 HD1 HIS 42 HD1 HIS 42 1.270 -3.048 10.749 322 HD2 HIS 42 HD2 HIS 42 -0.803 -0.962 7.815 323 HE1 HIS 42 HE1 HIS 42 -1.117 -3.785 10.948 324 HE2 HIS 42 HE2 HIS 42 -2.372 -2.400 9.256 325 H PHE 43 H PHE 43 1.589 -2.986 5.639 326 HA PHE 43 HA PHE 43 -0.125 -0.870 4.489 327 HB2 PHE 43 1HB PHE 43 0.919 -3.421 3.193 328 HB3 PHE 43 2HB PHE 43 -0.144 -2.255 2.424 329 HD1 PHE 43 HD1 PHE 43 0.739 0.105 1.956 330 HD2 PHE 43 HD2 PHE 43 3.305 -3.110 3.156 331 HE1 PHE 43 HE1 PHE 43 2.689 1.316 1.063 332 HE2 PHE 43 HE2 PHE 43 5.245 -1.890 2.259 333 HZ PHE 43 HZ PHE 43 4.937 0.324 1.208 334 H ASP 44 H ASP 44 -2.321 -1.237 4.455 335 HA ASP 44 HA ASP 44 -3.336 -3.969 4.741 336 HB2 ASP 44 1HB ASP 44 -5.048 -3.324 6.436 337 HB3 ASP 44 2HB ASP 44 -3.412 -3.246 7.038 338 H MET 45 H MET 45 -5.199 -4.364 3.698 339 HA MET 45 HA MET 45 -6.288 -2.256 1.963 340 HB2 MET 45 1HB MET 45 -5.643 -5.126 1.189 341 HB3 MET 45 2HB MET 45 -6.462 -3.965 0.149 342 HG2 MET 45 1HG MET 45 -4.426 -2.542 0.184 343 HG3 MET 45 2HG MET 45 -3.608 -3.770 1.152 344 HE1 MET 45 3HE MET 45 -5.040 -4.482 -3.191 345 HE2 MET 45 1HE MET 45 -5.213 -2.936 -2.359 346 HE3 MET 45 2HE MET 45 -6.155 -4.334 -1.834 347 H ASP 46 H ASP 46 -8.472 -2.132 1.804 348 HA ASP 46 HA ASP 46 -10.183 -4.435 2.011 349 HB2 ASP 46 1HB ASP 46 -11.519 -3.823 3.928 350 HB3 ASP 46 2HB ASP 46 -9.842 -3.878 4.450 351 H GLY 47 H GLY 47 -12.449 -3.917 1.585 352 HA2 GLY 47 1HA GLY 47 -13.879 -1.719 1.185 353 HA3 GLY 47 2HA GLY 47 -12.788 -1.586 -0.199 354 H GLU 48 H GLU 48 -13.950 -2.159 -1.952 355 HA GLU 48 HA GLU 48 -14.685 -4.904 -2.286 356 HB2 GLU 48 1HB GLU 48 -17.040 -4.509 -3.059 357 HB3 GLU 48 2HB GLU 48 -16.800 -4.291 -1.331 358 HG2 GLU 48 1HG GLU 48 -16.728 -1.817 -1.708 359 HG3 GLU 48 2HG GLU 48 -17.131 -2.107 -3.400 360 H ILE 49 H ILE 49 -15.824 -4.932 -4.864 361 HA ILE 49 HA ILE 49 -14.157 -3.534 -6.570 362 HB ILE 49 HB ILE 49 -13.102 -6.343 -5.905 363 HG12 ILE 49 1HG1 ILE 49 -11.571 -3.691 -5.838 364 HG13 ILE 49 2HG1 ILE 49 -12.199 -4.509 -4.414 365 HG21 ILE 49 1HG2 ILE 49 -11.507 -5.986 -7.809 366 HG22 ILE 49 2HG2 ILE 49 -12.334 -4.470 -8.196 367 HG23 ILE 49 3HG2 ILE 49 -13.191 -6.003 -8.337 368 HD11 ILE 49 3HD1 ILE 49 -10.733 -6.408 -4.845 369 HD12 ILE 49 1HD1 ILE 49 -9.831 -4.900 -4.688 370 HD13 ILE 49 2HD1 ILE 49 -10.105 -5.598 -6.284 371 H ASP 50 H ASP 50 -15.710 -3.563 -8.126 372 HA ASP 50 HA ASP 50 -17.500 -4.119 -9.393 373 HB2 ASP 50 1HB ASP 50 -15.770 -5.767 -10.315 374 HB3 ASP 50 2HB ASP 50 -16.431 -6.978 -9.224 375 H GLY 51 H GLY 51 -17.871 -3.855 -6.647 376 HA2 GLY 51 1HA GLY 51 -19.544 -4.127 -5.107 377 HA3 GLY 51 2HA GLY 51 -20.239 -5.411 -6.075 378 H LYS 52 H LYS 52 -17.392 -6.745 -5.953 379 HA LYS 52 HA LYS 52 -18.088 -8.542 -3.837 380 HB2 LYS 52 1HB LYS 52 -15.645 -8.452 -5.646 381 HB3 LYS 52 2HB LYS 52 -16.108 -9.819 -4.635 382 HG2 LYS 52 1HG LYS 52 -18.108 -10.194 -5.963 383 HG3 LYS 52 2HG LYS 52 -17.813 -8.726 -6.903 384 HD2 LYS 52 1HD LYS 52 -15.750 -9.719 -7.830 385 HD3 LYS 52 2HD LYS 52 -15.986 -11.167 -6.850 386 HE2 LYS 52 1HE LYS 52 -16.685 -11.546 -9.175 387 HE3 LYS 52 2HE LYS 52 -18.060 -11.670 -8.078 388 HZ1 LYS 52 3HZ LYS 52 -18.531 -10.418 -10.124 389 HZ2 LYS 52 1HZ LYS 52 -17.404 -9.246 -9.664 390 HZ3 LYS 52 2HZ LYS 52 -18.786 -9.506 -8.733 391 HA PRO 53 HA PRO 53 -15.626 -6.091 -0.875 392 HB2 PRO 53 1HB PRO 53 -16.392 -7.311 1.421 393 HB3 PRO 53 2HB PRO 53 -17.510 -6.298 0.491 394 HG2 PRO 53 1HG PRO 53 -17.248 -9.310 0.493 395 HG3 PRO 53 2HG PRO 53 -18.719 -8.319 0.626 396 HD2 PRO 53 1HD PRO 53 -17.896 -9.428 -1.740 397 HD3 PRO 53 2HD PRO 53 -18.794 -7.897 -1.665 398 H PHE 54 H PHE 54 -13.704 -6.313 0.368 399 HA PHE 54 HA PHE 54 -12.548 -8.957 0.851 400 HB2 PHE 54 1HB PHE 54 -10.516 -8.564 -0.413 401 HB3 PHE 54 2HB PHE 54 -11.872 -8.316 -1.500 402 HD1 PHE 54 HD1 PHE 54 -12.673 -5.807 -1.795 403 HD2 PHE 54 HD2 PHE 54 -8.817 -6.930 -0.320 404 HE1 PHE 54 HE1 PHE 54 -11.793 -3.591 -2.374 405 HE2 PHE 54 HE2 PHE 54 -7.952 -4.708 -0.909 406 HZ PHE 54 HZ PHE 54 -9.446 -3.041 -1.929 407 H SER 55 H SER 55 -10.841 -8.942 2.366 408 HA SER 55 HA SER 55 -9.592 -6.446 3.172 409 HB2 SER 55 1HB SER 55 -9.951 -6.982 5.640 410 HB3 SER 55 2HB SER 55 -11.401 -6.483 4.772 411 HG SER 55 HG SER 55 -12.258 -8.305 5.300 412 H ASP 56 H ASP 56 -7.500 -6.768 3.282 413 HA ASP 56 HA ASP 56 -6.252 -9.218 4.290 414 HB2 ASP 56 1HB ASP 56 -6.406 -9.518 1.802 415 HB3 ASP 56 2HB ASP 56 -5.578 -7.984 1.564 416 H SER 57 H SER 57 -3.852 -8.787 4.716 417 HA SER 57 HA SER 57 -2.970 -6.012 4.672 418 HB2 SER 57 1HB SER 57 -2.443 -6.015 7.144 419 HB3 SER 57 2HB SER 57 -4.168 -6.026 6.789 420 HG SER 57 HG SER 57 -3.204 -7.576 8.430 421 H PHE 58 H PHE 58 -0.760 -5.805 4.646 422 HA PHE 58 HA PHE 58 0.981 -8.097 5.189 423 HB2 PHE 58 1HB PHE 58 2.143 -7.889 3.008 424 HB3 PHE 58 2HB PHE 58 0.467 -8.356 2.807 425 HD1 PHE 58 HD2 PHE 58 -1.226 -6.375 2.250 426 HD2 PHE 58 HD1 PHE 58 3.003 -6.145 1.650 427 HE1 PHE 58 HE2 PHE 58 -1.553 -4.600 0.577 428 HE2 PHE 58 HE1 PHE 58 2.666 -4.376 -0.018 429 HZ PHE 58 HZ PHE 58 0.391 -3.601 -0.564 430 H GLU 59 H GLU 59 3.047 -7.521 5.801 431 HA GLU 59 HA GLU 59 3.686 -4.638 6.034 432 HB2 GLU 59 1HB GLU 59 3.986 -6.778 8.196 433 HB3 GLU 59 2HB GLU 59 4.755 -5.191 8.276 434 HG2 GLU 59 1HG GLU 59 2.614 -4.074 8.349 435 HG3 GLU 59 2HG GLU 59 1.769 -5.578 8.044 436 H LEU 60 H LEU 60 5.659 -4.147 5.322 437 HA LEU 60 HA LEU 60 7.455 -6.357 4.492 438 HB2 LEU 60 1HB LEU 60 6.787 -3.817 2.951 439 HB3 LEU 60 2HB LEU 60 7.951 -5.038 2.451 440 HG LEU 60 HG LEU 60 4.942 -5.459 2.691 441 HD11 LEU 60 1HD1 LEU 60 5.532 -4.037 0.778 442 HD12 LEU 60 2HD1 LEU 60 4.948 -5.611 0.246 443 HD13 LEU 60 3HD1 LEU 60 6.678 -5.257 0.210 444 HD21 LEU 60 3HD2 LEU 60 7.082 -7.388 1.710 445 HD22 LEU 60 1HD2 LEU 60 5.337 -7.660 1.655 446 HD23 LEU 60 2HD2 LEU 60 6.156 -7.536 3.209 447 HA PRO 61 HA PRO 61 10.510 -3.880 6.786 448 HB2 PRO 61 1HB PRO 61 12.772 -5.145 5.833 449 HB3 PRO 61 2HB PRO 61 11.744 -5.817 7.103 450 HG2 PRO 61 1HG PRO 61 11.727 -6.423 4.146 451 HG3 PRO 61 2HG PRO 61 11.703 -7.556 5.518 452 HD2 PRO 61 1HD PRO 61 9.436 -6.920 4.216 453 HD3 PRO 61 2HD PRO 61 9.432 -7.138 5.984 454 H ARG 62 H ARG 62 12.139 -2.304 6.259 455 HA ARG 62 HA ARG 62 11.747 -0.694 4.073 456 HB2 ARG 62 1HB ARG 62 13.888 0.400 4.625 457 HB3 ARG 62 2HB ARG 62 12.934 0.045 6.060 458 HG2 ARG 62 1HG ARG 62 14.358 -1.923 6.526 459 HG3 ARG 62 2HG ARG 62 15.329 -1.549 5.097 460 HD2 ARG 62 1HD ARG 62 15.931 0.640 6.101 461 HD3 ARG 62 2HD ARG 62 14.986 0.220 7.539 462 HE ARG 62 HE ARG 62 17.030 -1.701 6.857 463 HH11 ARG 62 1HH1 ARG 62 16.345 1.210 8.701 464 HH12 ARG 62 2HH1 ARG 62 17.711 1.006 9.744 465 HH21 ARG 62 1HH2 ARG 62 18.822 -1.932 8.231 466 HH22 ARG 62 2HH2 ARG 62 19.105 -0.758 9.476 467 H ASP 63 H ASP 63 13.807 -3.512 4.213 468 HA ASP 63 HA ASP 63 15.346 -3.165 1.894 469 HB2 ASP 63 1HB ASP 63 15.835 -4.841 3.650 470 HB3 ASP 63 2HB ASP 63 14.383 -5.740 3.218 471 H THR 64 H THR 64 12.015 -4.365 2.290 472 HA THR 64 HA THR 64 11.822 -4.918 -0.618 473 HB THR 64 HB THR 64 10.301 -6.859 -0.072 474 HG1 THR 64 HG1 THR 64 11.111 -7.470 2.361 475 HG21 THR 64 3HG2 THR 64 12.671 -7.305 -0.656 476 HG22 THR 64 1HG2 THR 64 12.069 -8.476 0.520 477 HG23 THR 64 2HG2 THR 64 13.117 -7.156 1.045 478 H ALA 65 H ALA 65 10.853 -2.771 1.493 479 HA ALA 65 HA ALA 65 8.032 -2.821 1.598 480 HB1 ALA 65 3HB ALA 65 9.402 -1.401 3.062 481 HB2 ALA 65 1HB ALA 65 8.171 -0.451 2.225 482 HB3 ALA 65 2HB ALA 65 9.853 -0.396 1.685 483 H PHE 66 H PHE 66 10.227 -1.497 -0.766 484 HA PHE 66 HA PHE 66 8.409 -0.130 -2.426 485 HB2 PHE 66 1HB PHE 66 11.064 -1.376 -3.241 486 HB3 PHE 66 2HB PHE 66 10.240 -0.041 -4.037 487 HD1 PHE 66 HD2 PHE 66 9.981 2.168 -2.770 488 HD2 PHE 66 HD1 PHE 66 12.557 -0.972 -1.421 489 HE1 PHE 66 HE2 PHE 66 11.192 3.761 -1.350 490 HE2 PHE 66 HE1 PHE 66 13.759 0.634 0.002 491 HZ PHE 66 HZ PHE 66 13.079 2.998 0.036 492 H ASN 67 H ASN 67 8.806 -3.516 -2.093 493 HA ASN 67 HA ASN 67 7.922 -4.246 -4.772 494 HB2 ASN 67 1HB ASN 67 8.356 -5.893 -2.248 495 HB3 ASN 67 2HB ASN 67 7.830 -6.589 -3.773 496 HD21 ASN 67 2HD2 ASN 67 10.470 -5.068 -2.099 497 HD22 ASN 67 1HD2 ASN 67 11.711 -5.544 -3.195 498 H PHE 68 H PHE 68 6.323 -2.799 -2.370 499 HA PHE 68 HA PHE 68 4.151 -4.298 -1.556 500 HB2 PHE 68 1HB PHE 68 3.149 -2.229 -0.836 501 HB3 PHE 68 2HB PHE 68 4.886 -2.070 -0.628 502 HD1 PHE 68 HD1 PHE 68 6.158 -0.946 -2.725 503 HD2 PHE 68 HD2 PHE 68 2.002 -0.428 -1.854 504 HE1 PHE 68 HE1 PHE 68 6.133 1.112 -4.070 505 HE2 PHE 68 HE2 PHE 68 1.989 1.627 -3.197 506 HZ PHE 68 HZ PHE 68 4.047 2.401 -4.309 507 H ALA 69 H ALA 69 4.617 -3.032 -4.781 508 HA ALA 69 HA ALA 69 1.885 -2.192 -5.207 509 HB1 ALA 69 3HB ALA 69 2.689 -1.585 -7.460 510 HB2 ALA 69 1HB ALA 69 4.248 -2.344 -7.121 511 HB3 ALA 69 2HB ALA 69 3.745 -0.916 -6.215 512 H SER 70 H SER 70 4.010 -4.900 -5.889 513 HA SER 70 HA SER 70 2.360 -6.257 -7.776 514 HB2 SER 70 1HB SER 70 4.558 -7.333 -5.959 515 HB3 SER 70 2HB SER 70 3.879 -8.178 -7.352 516 HG SER 70 HG SER 70 5.917 -6.599 -7.378 517 H ASP 71 H ASP 71 2.704 -6.330 -4.244 518 HA ASP 71 HA ASP 71 1.023 -8.621 -3.789 519 HB2 ASP 71 1HB ASP 71 1.704 -6.402 -1.806 520 HB3 ASP 71 2HB ASP 71 1.181 -8.041 -1.421 521 H ALA 72 H ALA 72 0.605 -5.127 -3.497 522 HA ALA 72 HA ALA 72 -2.038 -4.954 -2.670 523 HB1 ALA 72 3HB ALA 72 -0.472 -3.056 -2.648 524 HB2 ALA 72 1HB ALA 72 -1.966 -2.631 -3.486 525 HB3 ALA 72 2HB ALA 72 -0.505 -2.988 -4.411 526 H THR 73 H THR 73 -0.777 -4.838 -6.045 527 HA THR 73 HA THR 73 -3.326 -4.720 -7.278 528 HB THR 73 HB THR 73 -0.652 -5.563 -8.487 529 HG1 THR 73 HG1 THR 73 -0.182 -3.535 -8.130 530 HG21 THR 73 3HG2 THR 73 -2.555 -6.118 -9.977 531 HG22 THR 73 1HG2 THR 73 -1.616 -4.778 -10.633 532 HG23 THR 73 2HG2 THR 73 -3.158 -4.466 -9.834 533 H ARG 74 H ARG 74 -1.468 -7.384 -5.997 534 HA ARG 74 HA ARG 74 -2.678 -9.474 -7.605 535 HB2 ARG 74 1HB ARG 74 -0.422 -9.695 -6.545 536 HB3 ARG 74 2HB ARG 74 -1.185 -9.719 -4.960 537 HG2 ARG 74 1HG ARG 74 -2.267 -11.836 -5.453 538 HG3 ARG 74 2HG ARG 74 -1.715 -11.776 -7.128 539 HD2 ARG 74 1HD ARG 74 -0.332 -13.323 -5.835 540 HD3 ARG 74 2HD ARG 74 0.628 -11.941 -6.365 541 HE ARG 74 HE ARG 74 -0.380 -12.376 -3.612 542 HH11 ARG 74 1HH1 ARG 74 1.946 -10.838 -5.747 543 HH12 ARG 74 2HH1 ARG 74 2.989 -10.352 -4.449 544 HH21 ARG 74 1HH2 ARG 74 1.000 -11.704 -1.928 545 HH22 ARG 74 2HH2 ARG 74 2.440 -10.808 -2.296 546 H VAL 75 H VAL 75 -3.326 -7.916 -4.526 547 HA VAL 75 HA VAL 75 -5.485 -9.651 -3.665 548 HB VAL 75 HB VAL 75 -4.589 -6.875 -2.739 549 HG11 VAL 75 1HG1 VAL 75 -5.991 -7.190 -0.725 550 HG12 VAL 75 2HG1 VAL 75 -6.630 -8.692 -1.399 551 HG13 VAL 75 3HG1 VAL 75 -6.974 -7.155 -2.192 552 HG21 VAL 75 3HG2 VAL 75 -2.946 -8.642 -2.298 553 HG22 VAL 75 1HG2 VAL 75 -4.176 -9.607 -1.475 554 HG23 VAL 75 2HG2 VAL 75 -3.656 -8.065 -0.790 555 H ALA 76 H ALA 76 -5.091 -6.882 -5.740 556 HA ALA 76 HA ALA 76 -7.787 -5.829 -5.497 557 HB1 ALA 76 3HB ALA 76 -6.998 -4.185 -7.141 558 HB2 ALA 76 1HB ALA 76 -5.493 -5.089 -7.348 559 HB3 ALA 76 2HB ALA 76 -5.861 -4.323 -5.799 560 H GLN 77 H GLN 77 -5.748 -7.156 -8.075 561 HA GLN 77 HA GLN 77 -7.704 -7.738 -9.978 562 HB2 GLN 77 1HB GLN 77 -4.916 -8.865 -9.592 563 HB3 GLN 77 2HB GLN 77 -5.919 -9.271 -10.982 564 HG2 GLN 77 1HG GLN 77 -5.122 -6.431 -10.259 565 HG3 GLN 77 2HG GLN 77 -4.211 -7.450 -11.370 566 HE21 GLN 77 2HE2 GLN 77 -4.566 -5.847 -12.981 567 HE22 GLN 77 1HE2 GLN 77 -6.070 -5.731 -13.820 568 H LYS 78 H LYS 78 -6.760 -9.578 -7.155 569 HA LYS 78 HA LYS 78 -7.674 -12.099 -7.639 570 HB2 LYS 78 1HB LYS 78 -6.731 -11.328 -5.473 571 HB3 LYS 78 2HB LYS 78 -8.240 -10.501 -5.111 572 HG2 LYS 78 1HG LYS 78 -9.433 -12.676 -5.079 573 HG3 LYS 78 2HG LYS 78 -7.921 -13.508 -5.452 574 HD2 LYS 78 1HD LYS 78 -8.479 -11.881 -2.935 575 HD3 LYS 78 2HD LYS 78 -8.474 -13.641 -3.041 576 HE2 LYS 78 1HE LYS 78 -6.071 -11.847 -3.537 577 HE3 LYS 78 2HE LYS 78 -6.381 -12.772 -2.068 578 HZ1 LYS 78 3HZ LYS 78 -5.982 -13.930 -4.770 579 HZ2 LYS 78 1HZ LYS 78 -6.229 -14.805 -3.344 580 HZ3 LYS 78 2HZ LYS 78 -4.827 -13.884 -3.539 581 H HIS 79 H HIS 79 -9.791 -9.232 -7.029 582 HA HIS 79 HA HIS 79 -12.104 -10.888 -7.918 583 HB2 HIS 79 1HB HIS 79 -12.095 -8.172 -6.514 584 HB3 HIS 79 2HB HIS 79 -13.534 -9.075 -6.994 585 HD1 HIS 79 HD1 HIS 79 -11.278 -8.630 -4.177 586 HD2 HIS 79 HD2 HIS 79 -13.697 -11.693 -5.607 587 HE1 HIS 79 HE1 HIS 79 -11.536 -10.237 -2.273 588 HE2 HIS 79 HE2 HIS 79 -12.861 -12.153 -3.210 589 H GLY 80 H GLY 80 -10.467 -7.696 -8.592 590 HA2 GLY 80 1HA GLY 80 -9.615 -8.136 -11.046 591 HA3 GLY 80 2HA GLY 80 -11.336 -8.028 -11.392 592 H LEU 81 H LEU 81 -8.470 -6.301 -10.549 593 HA LEU 81 HA LEU 81 -9.669 -3.723 -10.072 594 HB2 LEU 81 1HB LEU 81 -7.534 -4.452 -9.025 595 HB3 LEU 81 2HB LEU 81 -6.791 -4.552 -10.608 596 HG LEU 81 HG LEU 81 -7.094 -2.049 -10.850 597 HD11 LEU 81 1HD1 LEU 81 -7.572 -0.720 -8.829 598 HD12 LEU 81 2HD1 LEU 81 -7.939 -2.200 -7.944 599 HD13 LEU 81 3HD1 LEU 81 -8.951 -1.710 -9.304 600 HD21 LEU 81 3HD2 LEU 81 -4.937 -2.991 -10.151 601 HD22 LEU 81 1HD2 LEU 81 -5.456 -2.965 -8.462 602 HD23 LEU 81 2HD2 LEU 81 -5.235 -1.451 -9.345 603 H HIS 82 H HIS 82 -10.964 -3.916 -12.086 604 HA HIS 82 HA HIS 82 -11.563 -3.347 -14.191 605 HB2 HIS 82 1HB HIS 82 -10.858 -1.162 -13.042 606 HB3 HIS 82 2HB HIS 82 -9.343 -1.271 -13.925 607 HD1 HIS 82 HD1 HIS 82 -9.965 1.035 -15.001 608 HD2 HIS 82 HD2 HIS 82 -12.558 -2.058 -15.991 609 HE1 HIS 82 HE1 HIS 82 -11.357 1.902 -16.893 610 HE2 HIS 82 HE2 HIS 82 -12.712 -0.073 -17.643 611 HA PRO 83 HA PRO 83 -7.479 -5.470 -15.509 612 HB2 PRO 83 1HB PRO 83 -8.201 -8.059 -15.866 613 HB3 PRO 83 2HB PRO 83 -7.999 -7.363 -14.253 614 HG2 PRO 83 1HG PRO 83 -10.545 -7.812 -15.809 615 HG3 PRO 83 2HG PRO 83 -10.198 -8.176 -14.104 616 HD2 PRO 83 1HD PRO 83 -11.530 -5.911 -14.929 617 HD3 PRO 83 2HD PRO 83 -10.574 -5.985 -13.434 618 H LYS 84 H LYS 84 -10.448 -5.324 -17.303 619 HA LYS 84 HA LYS 84 -9.472 -6.435 -19.774 620 HB2 LYS 84 1HB LYS 84 -11.917 -6.253 -19.040 621 HB3 LYS 84 2HB LYS 84 -11.834 -4.537 -19.389 622 HG2 LYS 84 1HG LYS 84 -11.252 -6.620 -21.516 623 HG3 LYS 84 2HG LYS 84 -12.901 -6.120 -21.144 624 HD2 LYS 84 1HD LYS 84 -12.319 -3.782 -21.729 625 HD3 LYS 84 2HD LYS 84 -10.668 -4.286 -22.101 626 HE2 LYS 84 1HE LYS 84 -11.508 -5.716 -23.926 627 HE3 LYS 84 2HE LYS 84 -13.167 -5.256 -23.538 628 HZ1 LYS 84 3HZ LYS 84 -12.647 -2.985 -24.123 629 HZ2 LYS 84 1HZ LYS 84 -12.279 -4.012 -25.412 630 HZ3 LYS 84 2HZ LYS 84 -11.039 -3.395 -24.442 631 H PHE 85 H PHE 85 -9.940 -3.155 -18.484 632 HA PHE 85 HA PHE 85 -8.514 -1.780 -20.583 633 HB2 PHE 85 1HB PHE 85 -10.278 -0.703 -19.180 634 HB3 PHE 85 2HB PHE 85 -9.265 -0.889 -17.758 635 HD1 PHE 85 HD1 PHE 85 -9.561 0.880 -21.025 636 HD2 PHE 85 HD2 PHE 85 -7.555 0.746 -17.246 637 HE1 PHE 85 HE1 PHE 85 -8.590 3.097 -21.456 638 HE2 PHE 85 HE2 PHE 85 -6.590 2.967 -17.688 639 HZ PHE 85 HZ PHE 85 -7.108 4.145 -19.789 640 H GLY 86 H GLY 86 -7.768 -3.148 -17.444 641 HA2 GLY 86 1HA GLY 86 -5.841 -3.635 -16.331 642 HA3 GLY 86 2HA GLY 86 -4.966 -3.324 -17.824 643 H ALA 87 H ALA 87 -3.561 -1.709 -17.710 644 HA ALA 87 HA ALA 87 -4.073 0.694 -16.067 645 HB1 ALA 87 3HB ALA 87 -1.477 -0.908 -16.057 646 HB2 ALA 87 1HB ALA 87 -2.640 -0.835 -14.731 647 HB3 ALA 87 2HB ALA 87 -1.755 0.613 -15.209 648 H ILE 88 H ILE 88 -4.313 0.182 -18.939 649 HA ILE 88 HA ILE 88 -1.995 1.294 -20.260 650 HB ILE 88 HB ILE 88 -4.797 0.818 -21.368 651 HG12 ILE 88 1HG1 ILE 88 -3.780 -1.295 -20.546 652 HG13 ILE 88 2HG1 ILE 88 -3.880 -1.299 -22.302 653 HG21 ILE 88 1HG2 ILE 88 -3.564 2.404 -22.763 654 HG22 ILE 88 2HG2 ILE 88 -3.706 0.864 -23.607 655 HG23 ILE 88 3HG2 ILE 88 -2.177 1.314 -22.846 656 HD11 ILE 88 3HD1 ILE 88 -1.489 -0.795 -22.451 657 HD12 ILE 88 1HD1 ILE 88 -1.791 -2.254 -21.512 658 HD13 ILE 88 2HD1 ILE 88 -1.380 -0.752 -20.687 659 H THR 89 H THR 89 -1.736 3.233 -19.133 660 HA THR 89 HA THR 89 -3.466 5.488 -19.997 661 HB THR 89 HB THR 89 -2.997 6.635 -17.839 662 HG1 THR 89 HG1 THR 89 -1.387 5.907 -16.694 663 HG21 THR 89 3HG2 THR 89 -4.405 5.282 -16.334 664 HG22 THR 89 1HG2 THR 89 -4.207 3.877 -17.380 665 HG23 THR 89 2HG2 THR 89 -5.080 5.298 -17.963 666 H ARG 90 H ARG 90 -0.330 4.119 -19.538 667 HA ARG 90 HA ARG 90 1.784 4.623 -20.011 668 HB2 ARG 90 1HB ARG 90 0.536 6.725 -21.817 669 HB3 ARG 90 2HB ARG 90 2.274 6.512 -21.693 670 HG2 ARG 90 1HG ARG 90 1.660 5.333 -23.632 671 HG3 ARG 90 2HG ARG 90 1.904 4.082 -22.414 672 HD2 ARG 90 1HD ARG 90 -0.527 3.901 -22.098 673 HD3 ARG 90 2HD ARG 90 -0.787 5.205 -23.268 674 HE ARG 90 HE ARG 90 0.655 2.792 -24.126 675 HH11 ARG 90 1HH1 ARG 90 -2.287 4.697 -24.334 676 HH12 ARG 90 2HH1 ARG 90 -2.871 3.843 -25.726 677 HH21 ARG 90 1HH2 ARG 90 -0.116 1.714 -25.944 678 HH22 ARG 90 2HH2 ARG 90 -1.653 2.143 -26.624 679 H VAL 91 H VAL 91 0.472 7.954 -19.972 680 HA VAL 91 HA VAL 91 2.423 8.827 -18.021 681 HB VAL 91 HB VAL 91 1.637 10.223 -19.969 682 HG11 VAL 91 1HG1 VAL 91 -0.520 11.412 -19.861 683 HG12 VAL 91 2HG1 VAL 91 -0.957 10.504 -18.412 684 HG13 VAL 91 3HG1 VAL 91 -0.748 9.662 -19.950 685 HG21 VAL 91 3HG2 VAL 91 2.774 11.341 -18.119 686 HG22 VAL 91 1HG2 VAL 91 1.252 11.503 -17.236 687 HG23 VAL 91 2HG2 VAL 91 1.498 12.385 -18.747 688 H HIS 92 H HIS 92 1.635 10.066 -16.041 689 HA HIS 92 HA HIS 92 0.618 10.230 -14.034 690 HB2 HIS 92 1HB HIS 92 -1.734 8.873 -15.409 691 HB3 HIS 92 2HB HIS 92 -1.765 9.290 -13.699 692 HD1 HIS 92 HD1 HIS 92 -3.372 11.166 -13.608 693 HD2 HIS 92 HD2 HIS 92 -0.607 11.649 -16.668 694 HE1 HIS 92 HE1 HIS 92 -3.786 13.452 -14.555 695 HE2 HIS 92 HE2 HIS 92 -2.000 13.778 -16.279 696 H LYS 93 H LYS 93 2.059 7.738 -15.171 697 HA LYS 93 HA LYS 93 1.467 5.726 -13.168 698 HB2 LYS 93 1HB LYS 93 3.678 5.988 -15.250 699 HB3 LYS 93 2HB LYS 93 3.608 4.656 -14.098 700 HG2 LYS 93 1HG LYS 93 1.506 5.322 -16.185 701 HG3 LYS 93 2HG LYS 93 2.685 4.007 -16.271 702 HD2 LYS 93 1HD LYS 93 1.666 2.969 -14.255 703 HD3 LYS 93 2HD LYS 93 0.488 4.284 -14.180 704 HE2 LYS 93 1HE LYS 93 -0.511 2.313 -15.202 705 HE3 LYS 93 2HE LYS 93 -0.384 3.607 -16.392 706 HZ1 LYS 93 3HZ LYS 93 0.263 1.485 -17.309 707 HZ2 LYS 93 1HZ LYS 93 1.459 1.300 -16.134 708 HZ3 LYS 93 2HZ LYS 93 1.589 2.532 -17.283 709 H GLU 94 H GLU 94 1.594 7.100 -11.380 710 HA GLU 94 HA GLU 94 4.162 8.268 -10.608 711 HB2 GLU 94 1HB GLU 94 1.411 8.412 -9.303 712 HB3 GLU 94 2HB GLU 94 2.848 9.264 -8.737 713 HG2 GLU 94 1HG GLU 94 2.938 10.367 -11.055 714 HG3 GLU 94 2HG GLU 94 1.322 9.714 -11.320 715 H TYR 95 H TYR 95 3.804 5.350 -10.731 716 HA TYR 95 HA TYR 95 4.034 4.209 -8.174 717 HB2 TYR 95 1HB TYR 95 3.851 2.697 -10.025 718 HB3 TYR 95 2HB TYR 95 5.182 3.459 -10.888 719 HD1 TYR 95 HD2 TYR 95 4.438 1.412 -7.817 720 HD2 TYR 95 HD1 TYR 95 7.402 2.586 -10.674 721 HE1 TYR 95 HE2 TYR 95 6.028 -0.195 -6.844 722 HE2 TYR 95 HE1 TYR 95 8.985 0.995 -9.690 723 HH TYR 95 HH TYR 95 8.050 -1.417 -7.499 724 H ASP 96 H ASP 96 6.405 5.803 -10.308 725 HA ASP 96 HA ASP 96 8.708 5.464 -8.698 726 HB2 ASP 96 1HB ASP 96 8.079 7.691 -10.690 727 HB3 ASP 96 2HB ASP 96 9.669 7.396 -9.989 728 H ALA 97 H ALA 97 6.099 7.840 -8.633 729 HA ALA 97 HA ALA 97 7.330 9.752 -6.915 730 HB1 ALA 97 3HB ALA 97 5.408 10.325 -8.344 731 HB2 ALA 97 1HB ALA 97 5.064 10.692 -6.651 732 HB3 ALA 97 2HB ALA 97 4.371 9.253 -7.404 733 H MET 98 H MET 98 4.924 7.178 -6.266 734 HA MET 98 HA MET 98 4.917 7.429 -3.454 735 HB2 MET 98 1HB MET 98 3.123 6.357 -4.827 736 HB3 MET 98 2HB MET 98 4.192 4.998 -5.139 737 HG2 MET 98 1HG MET 98 4.139 4.332 -2.829 738 HG3 MET 98 2HG MET 98 3.304 5.816 -2.360 739 HE1 MET 98 3HE MET 98 -0.265 5.277 -3.895 740 HE2 MET 98 1HE MET 98 1.084 6.173 -4.591 741 HE3 MET 98 2HE MET 98 0.733 6.307 -2.867 742 H PHE 99 H PHE 99 6.776 5.381 -5.602 743 HA PHE 99 HA PHE 99 8.365 3.895 -3.874 744 HB2 PHE 99 1HB PHE 99 8.367 3.756 -6.387 745 HB3 PHE 99 2HB PHE 99 9.278 5.251 -6.456 746 HD1 PHE 99 HD1 PHE 99 11.681 5.279 -5.620 747 HD2 PHE 99 HD2 PHE 99 9.459 1.639 -6.010 748 HE1 PHE 99 HE1 PHE 99 13.772 3.993 -5.588 749 HE2 PHE 99 HE2 PHE 99 11.567 0.366 -5.970 750 HZ PHE 99 HZ PHE 99 13.717 1.533 -5.761 751 H GLU 100 H GLU 100 8.869 7.223 -5.026 752 HA GLU 100 HA GLU 100 11.218 7.714 -3.469 753 HB2 GLU 100 1HB GLU 100 9.452 9.595 -5.058 754 HB3 GLU 100 2HB GLU 100 10.897 10.115 -4.192 755 HG2 GLU 100 1HG GLU 100 12.257 8.536 -5.551 756 HG3 GLU 100 2HG GLU 100 10.812 8.101 -6.459 757 H ASP 101 H ASP 101 7.795 8.115 -2.888 758 HA ASP 101 HA ASP 101 7.955 9.770 -0.594 759 HB2 ASP 101 1HB ASP 101 5.789 9.374 -1.669 760 HB3 ASP 101 2HB ASP 101 5.901 7.648 -1.343 761 H ILE 102 H ILE 102 7.589 6.234 -0.834 762 HA ILE 102 HA ILE 102 7.883 5.572 1.837 763 HB ILE 102 HB ILE 102 8.514 3.933 -0.656 764 HG12 ILE 102 1HG1 ILE 102 6.035 4.012 1.141 765 HG13 ILE 102 2HG1 ILE 102 6.156 4.704 -0.471 766 HG21 ILE 102 1HG2 ILE 102 9.682 2.890 1.226 767 HG22 ILE 102 2HG2 ILE 102 8.306 1.897 0.753 768 HG23 ILE 102 3HG2 ILE 102 8.207 2.913 2.194 769 HD11 ILE 102 3HD1 ILE 102 6.432 2.431 -1.396 770 HD12 ILE 102 1HD1 ILE 102 4.915 2.645 -0.524 771 HD13 ILE 102 2HD1 ILE 102 6.243 1.767 0.229 772 H ARG 103 H ARG 103 10.414 5.932 -0.634 773 HA ARG 103 HA ARG 103 12.587 4.967 0.933 774 HB2 ARG 103 1HB ARG 103 14.103 5.729 -0.721 775 HB3 ARG 103 2HB ARG 103 12.662 5.202 -1.555 776 HG2 ARG 103 1HG ARG 103 13.235 7.100 -2.735 777 HG3 ARG 103 2HG ARG 103 12.035 7.722 -1.609 778 HD2 ARG 103 1HD ARG 103 13.881 9.268 -1.754 779 HD3 ARG 103 2HD ARG 103 13.867 8.559 -0.152 780 HE ARG 103 HE ARG 103 15.594 7.059 -1.784 781 HH11 ARG 103 1HH1 ARG 103 15.473 10.248 -0.284 782 HH12 ARG 103 2HH1 ARG 103 17.201 10.408 -0.230 783 HH21 ARG 103 1HH2 ARG 103 17.847 7.313 -1.720 784 HH22 ARG 103 2HH2 ARG 103 18.540 8.746 -1.031 785 H ALA 104 H ALA 104 11.026 8.079 0.874 786 HA ALA 104 HA ALA 104 13.095 9.664 2.007 787 HB1 ALA 104 3HB ALA 104 11.186 10.631 0.777 788 HB2 ALA 104 1HB ALA 104 11.351 11.347 2.383 789 HB3 ALA 104 2HB ALA 104 10.097 10.142 2.074 790 H LYS 105 H LYS 105 10.205 8.154 3.484 791 HA LYS 105 HA LYS 105 10.917 8.910 6.169 792 HB2 LYS 105 1HB LYS 105 8.747 7.166 4.994 793 HB3 LYS 105 2HB LYS 105 9.052 7.120 6.721 794 HG2 LYS 105 1HG LYS 105 7.207 8.630 6.271 795 HG3 LYS 105 2HG LYS 105 8.583 9.546 6.882 796 HD2 LYS 105 1HD LYS 105 7.518 10.772 5.053 797 HD3 LYS 105 2HD LYS 105 9.134 10.259 4.561 798 HE2 LYS 105 1HE LYS 105 7.663 9.861 2.715 799 HE3 LYS 105 2HE LYS 105 8.080 8.292 3.411 800 HZ1 LYS 105 3HZ LYS 105 5.569 9.767 3.984 801 HZ2 LYS 105 1HZ LYS 105 5.957 8.191 4.461 802 HZ3 LYS 105 2HZ LYS 105 5.719 8.550 2.827 803 H LEU 106 H LEU 106 11.562 6.142 4.123 804 HA LEU 106 HA LEU 106 12.523 4.423 6.200 805 HB2 LEU 106 1HB LEU 106 12.555 4.390 3.206 806 HB3 LEU 106 2HB LEU 106 13.761 3.405 4.011 807 HG LEU 106 HG LEU 106 12.098 2.010 5.042 808 HD11 LEU 106 1HD1 LEU 106 9.953 3.890 4.019 809 HD12 LEU 106 2HD1 LEU 106 10.433 3.670 5.702 810 HD13 LEU 106 3HD1 LEU 106 9.674 2.345 4.826 811 HD21 LEU 106 3HD2 LEU 106 10.916 1.084 3.084 812 HD22 LEU 106 1HD2 LEU 106 12.596 1.470 2.711 813 HD23 LEU 106 2HD2 LEU 106 11.304 2.538 2.162 814 H HIS 107 H HIS 107 13.881 6.975 4.245 815 HA HIS 107 HA HIS 107 16.641 6.615 5.068 816 HB2 HIS 107 1HB HIS 107 15.862 7.612 2.836 817 HB3 HIS 107 2HB HIS 107 15.343 9.036 3.718 818 HD1 HIS 107 HD1 HIS 107 18.267 7.515 2.107 819 HD2 HIS 107 HD2 HIS 107 17.588 10.509 4.894 820 HE1 HIS 107 HE1 HIS 107 20.389 8.845 2.195 821 HE2 HIS 107 HE2 HIS 107 20.030 10.465 4.084 822 H ALA 108 H ALA 108 13.812 7.909 6.368 823 HA ALA 108 HA ALA 108 13.170 9.075 8.185 824 HB1 ALA 108 3HB ALA 108 14.822 7.674 9.364 825 HB2 ALA 108 1HB ALA 108 14.692 9.273 10.099 826 HB3 ALA 108 2HB ALA 108 16.068 8.886 9.065 827 H HIS 109 H HIS 109 14.316 10.475 5.752 828 HA HIS 109 HA HIS 109 14.481 13.195 6.887 829 HB2 HIS 109 1HB HIS 109 16.458 12.015 4.875 830 HB3 HIS 109 2HB HIS 109 16.275 13.746 5.130 831 HD1 HIS 109 HD1 HIS 109 17.355 14.760 7.204 832 HD2 HIS 109 HD2 HIS 109 17.700 10.631 7.075 833 HE1 HIS 109 HE1 HIS 109 18.987 14.167 9.009 834 HE2 HIS 109 HE2 HIS 109 18.970 11.652 9.062 835 HA PRO 110 HA PRO 110 11.335 14.122 3.906 836 HB2 PRO 110 1HB PRO 110 11.958 16.770 3.258 837 HB3 PRO 110 2HB PRO 110 11.116 16.265 4.727 838 HG2 PRO 110 1HG PRO 110 14.043 16.876 4.344 839 HG3 PRO 110 2HG PRO 110 12.958 17.366 5.665 840 HD2 PRO 110 1HD PRO 110 14.664 15.323 5.984 841 HD3 PRO 110 2HD PRO 110 13.030 15.243 6.678 842 H GLY 111 H GLY 111 10.994 13.842 1.785 843 HA2 GLY 111 1HA GLY 111 12.324 14.814 -0.423 844 HA3 GLY 111 2HA GLY 111 13.139 13.297 -0.039 845 H GLU 112 H GLU 112 9.769 14.406 -0.005 846 HA GLU 112 HA GLU 112 8.921 12.056 -1.590 847 HB2 GLU 112 1HB GLU 112 7.040 11.669 -0.044 848 HB3 GLU 112 2HB GLU 112 8.573 11.496 0.792 849 HG2 GLU 112 1HG GLU 112 6.831 13.982 0.948 850 HG3 GLU 112 2HG GLU 112 6.757 12.652 2.100 851 HA PRO 113 HA PRO 113 6.078 14.961 -3.657 852 HB2 PRO 113 1HB PRO 113 3.986 12.801 -3.476 853 HB3 PRO 113 2HB PRO 113 4.588 13.659 -4.903 854 HG2 PRO 113 1HG PRO 113 5.309 11.123 -4.449 855 HG3 PRO 113 2HG PRO 113 6.480 12.298 -5.087 856 HD2 PRO 113 1HD PRO 113 6.174 11.277 -2.259 857 HD3 PRO 113 2HD PRO 113 7.655 11.531 -3.213 858 H VAL 114 H VAL 114 5.047 16.600 -2.633 859 HA VAL 114 HA VAL 114 3.902 16.283 0.011 860 HB VAL 114 HB VAL 114 5.255 18.287 -0.568 861 HG11 VAL 114 1HG1 VAL 114 2.951 19.122 -2.364 862 HG12 VAL 114 2HG1 VAL 114 4.570 18.658 -2.894 863 HG13 VAL 114 3HG1 VAL 114 4.344 20.122 -1.934 864 HG21 VAL 114 3HG2 VAL 114 3.693 18.413 1.325 865 HG22 VAL 114 1HG2 VAL 114 2.395 18.946 0.253 866 HG23 VAL 114 2HG2 VAL 114 3.800 19.981 0.526 867 H ASP 115 H ASP 115 1.762 16.215 0.530 868 HA ASP 115 HA ASP 115 -0.093 15.607 -1.677 869 HB2 ASP 115 1HB ASP 115 -1.440 14.447 0.054 870 HB3 ASP 115 2HB ASP 115 0.222 13.875 0.023 871 H LEU 116 H LEU 116 0.550 18.412 -0.142 872 HA LEU 116 HA LEU 116 -1.714 19.173 1.281 873 HB2 LEU 116 1HB LEU 116 -0.951 21.457 1.173 874 HB3 LEU 116 2HB LEU 116 0.423 20.394 1.366 875 HG LEU 116 HG LEU 116 0.664 20.707 -1.276 876 HD11 LEU 116 1HD1 LEU 116 -1.383 21.991 -1.667 877 HD12 LEU 116 2HD1 LEU 116 0.032 22.957 -2.075 878 HD13 LEU 116 3HD1 LEU 116 -0.833 23.255 -0.563 879 HD21 LEU 116 3HD2 LEU 116 2.360 21.393 0.363 880 HD22 LEU 116 1HD2 LEU 116 1.486 22.897 0.665 881 HD23 LEU 116 2HD2 LEU 116 2.201 22.587 -0.922 882 H GLU 117 H GLU 117 -1.114 19.453 -2.194 883 HA GLU 117 HA GLU 117 -4.032 19.370 -2.560 884 HB2 GLU 117 1HB GLU 117 -2.954 21.686 -3.160 885 HB3 GLU 117 2HB GLU 117 -2.226 20.855 -4.528 886 HG2 GLU 117 1HG GLU 117 -5.209 21.140 -3.993 887 HG3 GLU 117 2HG GLU 117 -4.279 22.084 -5.145 888 H ARG 118 H ARG 118 -3.667 17.100 -2.606 889 HA ARG 118 HA ARG 118 -3.013 16.194 -5.354 890 HB2 ARG 118 1HB ARG 118 -1.215 15.496 -3.669 891 HB3 ARG 118 2HB ARG 118 -2.443 14.556 -2.832 892 HG2 ARG 118 1HG ARG 118 -2.740 13.143 -4.841 893 HG3 ARG 118 2HG ARG 118 -1.538 14.107 -5.702 894 HD2 ARG 118 1HD ARG 118 0.201 13.384 -4.116 895 HD3 ARG 118 2HD ARG 118 -1.000 12.476 -3.197 896 HE ARG 118 HE ARG 118 -1.063 10.847 -4.847 897 HH11 ARG 118 1HH1 ARG 118 1.126 13.412 -5.833 898 HH12 ARG 118 2HH1 ARG 118 1.766 12.515 -7.171 899 HH21 ARG 118 1HH2 ARG 118 -0.176 9.666 -6.591 900 HH22 ARG 118 2HH2 ARG 118 1.028 10.407 -7.599 901 H ILE 119 H ILE 119 -5.435 17.159 -4.156 902 HA ILE 119 HA ILE 119 -7.132 14.753 -3.758 903 HB ILE 119 HB ILE 119 -7.860 17.634 -3.040 904 HG12 ILE 119 1HG1 ILE 119 -5.857 17.036 -1.715 905 HG13 ILE 119 2HG1 ILE 119 -7.273 17.133 -0.676 906 HG21 ILE 119 1HG2 ILE 119 -9.050 14.989 -2.120 907 HG22 ILE 119 2HG2 ILE 119 -9.779 16.111 -3.271 908 HG23 ILE 119 3HG2 ILE 119 -9.570 16.590 -1.586 909 HD11 ILE 119 3HD1 ILE 119 -5.858 15.272 -0.057 910 HD12 ILE 119 1HD1 ILE 119 -5.977 14.600 -1.683 911 HD13 ILE 119 2HD1 ILE 119 -7.409 14.684 -0.653 912 H ILE 120 H ILE 120 -7.174 18.024 -5.197 913 HA ILE 120 HA ILE 120 -9.313 17.308 -7.059 914 HB ILE 120 HB ILE 120 -7.819 19.967 -6.847 915 HG12 ILE 120 1HG1 ILE 120 -8.852 19.464 -4.655 916 HG13 ILE 120 2HG1 ILE 120 -9.692 20.795 -5.439 917 HG21 ILE 120 1HG2 ILE 120 -9.816 20.932 -7.964 918 HG22 ILE 120 2HG2 ILE 120 -10.527 19.321 -8.092 919 HG23 ILE 120 3HG2 ILE 120 -9.042 19.701 -8.963 920 HD11 ILE 120 3HD1 ILE 120 -10.654 17.937 -5.251 921 HD12 ILE 120 1HD1 ILE 120 -11.498 19.244 -6.087 922 HD13 ILE 120 2HD1 ILE 120 -11.254 19.323 -4.345 923 H ARG 121 H ARG 121 -7.900 15.647 -7.976 924 HA ARG 121 HA ARG 121 -6.012 16.630 -10.042 925 HB2 ARG 121 1HB ARG 121 -6.305 13.838 -8.844 926 HB3 ARG 121 2HB ARG 121 -5.140 14.294 -10.078 927 HG2 ARG 121 1HG ARG 121 -5.171 15.446 -7.262 928 HG3 ARG 121 2HG ARG 121 -4.187 14.068 -7.759 929 HD2 ARG 121 1HD ARG 121 -2.746 15.970 -7.807 930 HD3 ARG 121 2HD ARG 121 -3.114 15.601 -9.494 931 HE ARG 121 HE ARG 121 -4.617 17.704 -8.048 932 HH11 ARG 121 1HH1 ARG 121 -2.477 16.841 -10.700 933 HH12 ARG 121 2HH1 ARG 121 -2.560 18.412 -11.424 934 HH21 ARG 121 1HH2 ARG 121 -4.725 19.732 -9.016 935 HH22 ARG 121 2HH2 ARG 121 -3.839 20.053 -10.475 936 H HIS 122 H HIS 122 -6.043 14.844 -11.944 937 HA HIS 122 HA HIS 122 -8.761 14.037 -12.692 938 HB2 HIS 122 1HB HIS 122 -7.072 15.988 -14.321 939 HB3 HIS 122 2HB HIS 122 -8.420 15.089 -15.009 940 HD1 HIS 122 HD1 HIS 122 -7.673 18.239 -13.422 941 HD2 HIS 122 HD2 HIS 122 -10.961 15.708 -13.575 942 HE1 HIS 122 HE1 HIS 122 -9.623 19.628 -12.692 943 HE2 HIS 122 HE2 HIS 122 -11.625 18.137 -13.006 944 H GLU 123 H GLU 123 -8.699 12.088 -13.687 945 HA GLU 123 HA GLU 123 -6.087 11.064 -14.647 946 HB2 GLU 123 1HB GLU 123 -7.079 9.937 -12.605 947 HB3 GLU 123 2HB GLU 123 -8.447 9.439 -13.593 948 HG2 GLU 123 1HG GLU 123 -6.758 7.643 -13.252 949 HG3 GLU 123 2HG GLU 123 -7.038 8.020 -14.954 950 H GLY 124 H GLY 124 -9.612 10.782 -15.195 951 HA2 GLY 124 1HA GLY 124 -9.157 9.905 -17.985 952 HA3 GLY 124 2HA GLY 124 -10.640 9.719 -17.059 953 H SER 125 H SER 125 -8.550 12.515 -17.818 954 HA SER 125 HA SER 125 -10.915 13.967 -18.883 955 HB2 SER 125 1HB SER 125 -8.475 15.120 -17.447 956 HB3 SER 125 2HB SER 125 -9.836 16.048 -18.080 957 HG SER 125 HG SER 125 -10.718 14.063 -16.483 Start of MODEL 18 1 H1 GLN 1 1H GLN 1 -12.580 13.432 -8.782 2 H2 GLN 1 2H GLN 1 -12.426 11.927 -9.543 3 H3 GLN 1 3H GLN 1 -11.499 12.283 -8.176 4 HA GLN 1 HA GLN 1 -13.439 12.383 -6.805 5 HB2 GLN 1 1HB GLN 1 -15.060 13.181 -8.438 6 HB3 GLN 1 2HB GLN 1 -14.862 11.740 -9.421 7 HG2 GLN 1 1HG GLN 1 -16.981 11.648 -8.266 8 HG3 GLN 1 2HG GLN 1 -15.927 10.379 -7.650 9 HE21 GLN 1 2HE2 GLN 1 -15.811 13.799 -6.690 10 HE22 GLN 1 1HE2 GLN 1 -16.326 13.531 -5.067 11 H GLY 2 H GLY 2 -13.704 10.577 -5.572 12 HA2 GLY 2 1HA GLY 2 -14.008 8.322 -5.068 13 HA3 GLY 2 2HA GLY 2 -13.589 7.881 -6.715 14 H HIS 3 H HIS 3 -11.141 8.844 -7.153 15 HA HIS 3 HA HIS 3 -9.438 7.144 -5.561 16 HB2 HIS 3 1HB HIS 3 -9.234 7.408 -8.059 17 HB3 HIS 3 2HB HIS 3 -8.693 9.062 -7.820 18 HD1 HIS 3 HD1 HIS 3 -7.561 5.503 -7.511 19 HD2 HIS 3 HD2 HIS 3 -5.995 9.319 -7.024 20 HE1 HIS 3 HE1 HIS 3 -5.076 5.201 -7.376 21 HE2 HIS 3 HE2 HIS 3 -4.146 7.537 -7.269 22 H MET 4 H MET 4 -9.767 8.232 -3.519 23 HA MET 4 HA MET 4 -8.749 10.956 -3.129 24 HB2 MET 4 1HB MET 4 -10.207 9.014 -1.281 25 HB3 MET 4 2HB MET 4 -9.595 10.569 -0.732 26 HG2 MET 4 1HG MET 4 -11.061 11.735 -2.286 27 HG3 MET 4 2HG MET 4 -11.634 10.202 -2.942 28 HE1 MET 4 3HE MET 4 -11.426 12.364 0.382 29 HE2 MET 4 1HE MET 4 -10.959 10.760 0.939 30 HE3 MET 4 2HE MET 4 -12.503 11.453 1.440 31 H PHE 5 H PHE 5 -6.582 11.003 -3.064 32 HA PHE 5 HA PHE 5 -5.047 9.080 -1.452 33 HB2 PHE 5 1HB PHE 5 -4.213 9.565 -3.724 34 HB3 PHE 5 2HB PHE 5 -4.138 11.285 -3.356 35 HD1 PHE 5 HD1 PHE 5 -2.854 8.046 -1.904 36 HD2 PHE 5 HD2 PHE 5 -1.996 12.123 -2.876 37 HE1 PHE 5 HE1 PHE 5 -0.546 7.764 -1.105 38 HE2 PHE 5 HE2 PHE 5 0.311 11.821 -2.089 39 HZ PHE 5 HZ PHE 5 1.039 9.642 -1.205 40 H GLU 6 H GLU 6 -4.002 9.647 0.382 41 HA GLU 6 HA GLU 6 -3.695 12.387 1.287 42 HB2 GLU 6 1HB GLU 6 -4.895 11.983 3.432 43 HB3 GLU 6 2HB GLU 6 -5.988 11.843 2.059 44 HG2 GLU 6 1HG GLU 6 -5.838 9.381 2.192 45 HG3 GLU 6 2HG GLU 6 -4.757 9.521 3.575 46 HA PRO 7 HA PRO 7 -0.001 10.526 3.124 47 HB2 PRO 7 1HB PRO 7 0.152 11.858 5.586 48 HB3 PRO 7 2HB PRO 7 0.728 12.510 4.050 49 HG2 PRO 7 1HG PRO 7 -1.892 13.009 5.456 50 HG3 PRO 7 2HG PRO 7 -0.818 14.168 4.639 51 HD2 PRO 7 1HD PRO 7 -3.043 13.263 3.432 52 HD3 PRO 7 2HD PRO 7 -1.551 13.525 2.500 53 H GLY 8 H GLY 8 -0.570 8.397 3.467 54 HA2 GLY 8 1HA GLY 8 -0.346 6.754 5.235 55 HA3 GLY 8 2HA GLY 8 -1.511 7.649 6.189 56 H HIS 9 H HIS 9 -2.817 7.777 3.176 57 HA HIS 9 HA HIS 9 -3.992 5.129 3.012 58 HB2 HIS 9 1HB HIS 9 -5.314 5.933 4.857 59 HB3 HIS 9 2HB HIS 9 -5.596 7.478 4.075 60 HD1 HIS 9 HD1 HIS 9 -7.710 7.695 2.790 61 HD2 HIS 9 HD2 HIS 9 -6.773 3.722 3.563 62 HE1 HIS 9 HE1 HIS 9 -9.701 6.385 2.039 63 HE2 HIS 9 HE2 HIS 9 -9.215 4.027 2.776 64 H LEU 10 H LEU 10 -5.235 4.785 1.139 65 HA LEU 10 HA LEU 10 -5.659 6.909 -0.820 66 HB2 LEU 10 1HB LEU 10 -3.535 5.860 -1.485 67 HB3 LEU 10 2HB LEU 10 -4.230 4.256 -1.307 68 HG LEU 10 HG LEU 10 -5.778 4.751 -3.237 69 HD11 LEU 10 1HD1 LEU 10 -5.817 7.200 -3.100 70 HD12 LEU 10 2HD1 LEU 10 -5.344 6.657 -4.706 71 HD13 LEU 10 3HD1 LEU 10 -4.120 7.270 -3.591 72 HD21 LEU 10 3HD2 LEU 10 -3.701 3.483 -3.588 73 HD22 LEU 10 1HD2 LEU 10 -2.826 4.983 -3.899 74 HD23 LEU 10 2HD2 LEU 10 -4.105 4.460 -4.994 75 H HIS 11 H HIS 11 -7.581 6.603 -1.942 76 HA HIS 11 HA HIS 11 -9.157 4.136 -1.457 77 HB2 HIS 11 1HB HIS 11 -10.181 6.255 -0.607 78 HB3 HIS 11 2HB HIS 11 -10.125 6.930 -2.229 79 HD1 HIS 11 HD1 HIS 11 -12.683 7.249 -2.196 80 HD2 HIS 11 HD2 HIS 11 -11.536 3.279 -1.819 81 HE1 HIS 11 HE1 HIS 11 -14.776 5.919 -2.494 82 HE2 HIS 11 HE2 HIS 11 -14.095 3.544 -2.056 83 H LEU 12 H LEU 12 -9.853 2.965 -3.202 84 HA LEU 12 HA LEU 12 -9.223 3.899 -5.947 85 HB2 LEU 12 1HB LEU 12 -9.321 1.014 -4.964 86 HB3 LEU 12 2HB LEU 12 -8.943 1.541 -6.593 87 HG LEU 12 HG LEU 12 -7.214 1.959 -4.125 88 HD11 LEU 12 1HD1 LEU 12 -5.645 0.414 -5.227 89 HD12 LEU 12 2HD1 LEU 12 -6.775 0.198 -6.566 90 HD13 LEU 12 3HD1 LEU 12 -7.204 -0.363 -4.949 91 HD21 LEU 12 3HD2 LEU 12 -6.684 2.810 -6.993 92 HD22 LEU 12 1HD2 LEU 12 -5.523 2.891 -5.664 93 HD23 LEU 12 2HD2 LEU 12 -6.977 3.883 -5.623 94 H VAL 13 H VAL 13 -11.000 4.246 -7.077 95 HA VAL 13 HA VAL 13 -13.302 2.369 -6.937 96 HB VAL 13 HB VAL 13 -13.297 5.307 -7.851 97 HG11 VAL 13 1HG1 VAL 13 -15.648 3.374 -7.666 98 HG12 VAL 13 2HG1 VAL 13 -14.940 4.016 -9.149 99 HG13 VAL 13 3HG1 VAL 13 -15.771 5.099 -8.032 100 HG21 VAL 13 3HG2 VAL 13 -13.131 5.154 -5.414 101 HG22 VAL 13 1HG2 VAL 13 -14.517 4.062 -5.355 102 HG23 VAL 13 2HG2 VAL 13 -14.732 5.740 -5.859 103 H SER 14 H SER 14 -14.271 2.185 -9.417 104 HA SER 14 HA SER 14 -12.001 1.503 -11.063 105 HB2 SER 14 1HB SER 14 -13.850 0.589 -12.543 106 HB3 SER 14 2HB SER 14 -13.799 -0.105 -10.934 107 HG SER 14 HG SER 14 -15.918 0.432 -11.527 108 H LEU 15 H LEU 15 -12.071 2.178 -13.381 109 HA LEU 15 HA LEU 15 -11.561 4.863 -13.585 110 HB2 LEU 15 1HB LEU 15 -12.245 2.900 -15.797 111 HB3 LEU 15 2HB LEU 15 -11.557 4.496 -16.082 112 HG LEU 15 HG LEU 15 -10.202 2.266 -14.504 113 HD11 LEU 15 1HD1 LEU 15 -9.552 3.289 -17.283 114 HD12 LEU 15 2HD1 LEU 15 -10.288 1.733 -16.895 115 HD13 LEU 15 3HD1 LEU 15 -8.638 2.076 -16.380 116 HD21 LEU 15 3HD2 LEU 15 -9.098 4.984 -15.312 117 HD22 LEU 15 1HD2 LEU 15 -8.202 3.700 -14.494 118 HD23 LEU 15 2HD2 LEU 15 -9.543 4.494 -13.676 119 HA PRO 16 HA PRO 16 -15.239 7.088 -13.276 120 HB2 PRO 16 1HB PRO 16 -14.802 9.298 -14.941 121 HB3 PRO 16 2HB PRO 16 -14.108 9.091 -13.327 122 HG2 PRO 16 1HG PRO 16 -12.880 8.475 -16.015 123 HG3 PRO 16 2HG PRO 16 -12.158 9.307 -14.616 124 HD2 PRO 16 1HD PRO 16 -11.589 6.739 -15.100 125 HD3 PRO 16 2HD PRO 16 -11.849 7.285 -13.427 126 H GLY 17 H GLY 17 -17.223 6.775 -13.989 127 HA2 GLY 17 1HA GLY 17 -18.916 6.974 -15.763 128 HA3 GLY 17 2HA GLY 17 -17.749 6.265 -16.877 129 H LEU 18 H LEU 18 -16.883 4.492 -14.549 130 HA LEU 18 HA LEU 18 -17.179 2.430 -13.738 131 HB2 LEU 18 1HB LEU 18 -20.141 3.120 -13.782 132 HB3 LEU 18 2HB LEU 18 -19.439 1.754 -12.928 133 HG LEU 18 HG LEU 18 -18.957 4.698 -12.295 134 HD11 LEU 18 1HD1 LEU 18 -21.184 3.957 -11.614 135 HD12 LEU 18 2HD1 LEU 18 -20.168 4.258 -10.207 136 HD13 LEU 18 3HD1 LEU 18 -20.482 2.601 -10.727 137 HD21 LEU 18 3HD2 LEU 18 -16.923 3.398 -11.844 138 HD22 LEU 18 1HD2 LEU 18 -17.852 2.247 -10.880 139 HD23 LEU 18 2HD2 LEU 18 -17.676 3.918 -10.340 140 H ASP 19 H ASP 19 -16.740 2.563 -16.414 141 HA ASP 19 HA ASP 19 -18.285 0.751 -17.969 142 HB2 ASP 19 1HB ASP 19 -16.236 0.537 -19.383 143 HB3 ASP 19 2HB ASP 19 -16.622 2.215 -19.037 144 H GLN 20 H GLN 20 -15.575 0.357 -15.753 145 HA GLN 20 HA GLN 20 -15.468 -2.521 -15.767 146 HB2 GLN 20 1HB GLN 20 -13.662 -0.747 -15.026 147 HB3 GLN 20 2HB GLN 20 -14.549 -0.683 -13.518 148 HG2 GLN 20 1HG GLN 20 -12.729 -2.143 -13.138 149 HG3 GLN 20 2HG GLN 20 -14.139 -3.194 -13.299 150 HE21 GLN 20 2HE2 GLN 20 -12.704 -4.931 -13.832 151 HE22 GLN 20 1HE2 GLN 20 -11.993 -5.060 -15.399 152 H GLN 21 H GLN 21 -15.933 -3.671 -13.487 153 HA GLN 21 HA GLN 21 -18.741 -3.271 -12.923 154 HB2 GLN 21 1HB GLN 21 -18.590 -5.239 -11.513 155 HB3 GLN 21 2HB GLN 21 -17.742 -5.533 -13.027 156 HG2 GLN 21 1HG GLN 21 -15.584 -5.159 -11.897 157 HG3 GLN 21 2HG GLN 21 -16.427 -4.857 -10.377 158 HE21 GLN 21 2HE2 GLN 21 -14.475 -6.907 -11.101 159 HE22 GLN 21 1HE2 GLN 21 -15.200 -8.414 -10.699 160 H ASP 22 H ASP 22 -19.125 -3.699 -10.259 161 HA ASP 22 HA ASP 22 -18.695 -0.975 -9.331 162 HB2 ASP 22 1HB ASP 22 -20.949 -2.169 -9.248 163 HB3 ASP 22 2HB ASP 22 -20.306 -3.181 -7.959 164 H ILE 23 H ILE 23 -16.492 -0.991 -8.832 165 HA ILE 23 HA ILE 23 -15.568 -2.771 -6.630 166 HB ILE 23 HB ILE 23 -13.407 -2.861 -7.486 167 HG12 ILE 23 1HG1 ILE 23 -12.730 -1.031 -9.435 168 HG13 ILE 23 2HG1 ILE 23 -13.799 -0.048 -8.451 169 HG21 ILE 23 1HG2 ILE 23 -13.447 -3.239 -9.910 170 HG22 ILE 23 2HG2 ILE 23 -14.997 -2.399 -10.014 171 HG23 ILE 23 3HG2 ILE 23 -14.873 -3.910 -9.114 172 HD11 ILE 23 3HD1 ILE 23 -12.350 -0.503 -6.493 173 HD12 ILE 23 1HD1 ILE 23 -11.492 0.282 -7.822 174 HD13 ILE 23 2HD1 ILE 23 -11.282 -1.444 -7.536 175 H ASN 24 H ASN 24 -14.668 -1.982 -4.840 176 HA ASN 24 HA ASN 24 -13.615 0.717 -4.692 177 HB2 ASN 24 1HB ASN 24 -14.813 1.453 -2.737 178 HB3 ASN 24 2HB ASN 24 -16.022 0.952 -3.910 179 HD21 ASN 24 2HD2 ASN 24 -17.042 -1.124 -3.591 180 HD22 ASN 24 1HD2 ASN 24 -17.200 -1.758 -1.989 181 H ILE 25 H ILE 25 -11.920 0.855 -3.253 182 HA ILE 25 HA ILE 25 -11.129 -1.485 -1.662 183 HB ILE 25 HB ILE 25 -9.274 -0.278 -3.781 184 HG12 ILE 25 1HG1 ILE 25 -10.509 -3.067 -3.870 185 HG13 ILE 25 2HG1 ILE 25 -11.124 -1.698 -4.788 186 HG21 ILE 25 1HG2 ILE 25 -7.717 -2.111 -3.192 187 HG22 ILE 25 2HG2 ILE 25 -8.837 -2.664 -1.946 188 HG23 ILE 25 3HG2 ILE 25 -8.069 -1.084 -1.801 189 HD11 ILE 25 3HD1 ILE 25 -9.771 -3.134 -6.161 190 HD12 ILE 25 1HD1 ILE 25 -8.397 -2.935 -5.074 191 HD13 ILE 25 2HD1 ILE 25 -9.004 -1.553 -5.993 192 H HIS 26 H HIS 26 -10.061 -0.814 0.115 193 HA HIS 26 HA HIS 26 -9.217 2.008 0.415 194 HB2 HIS 26 1HB HIS 26 -9.639 -0.022 2.660 195 HB3 HIS 26 2HB HIS 26 -9.535 1.728 2.799 196 HD1 HIS 26 HD1 HIS 26 -11.834 0.058 4.018 197 HD2 HIS 26 HD2 HIS 26 -12.049 1.976 0.347 198 HE1 HIS 26 HE1 HIS 26 -14.271 0.414 3.587 199 HE2 HIS 26 HE2 HIS 26 -14.352 1.779 1.484 200 H ILE 27 H ILE 27 -7.006 2.341 0.786 201 HA ILE 27 HA ILE 27 -5.285 0.012 1.404 202 HB ILE 27 HB ILE 27 -4.579 2.217 -0.606 203 HG12 ILE 27 1HG1 ILE 27 -5.091 -0.768 -1.060 204 HG13 ILE 27 2HG1 ILE 27 -6.090 0.560 -1.639 205 HG21 ILE 27 1HG2 ILE 27 -2.434 1.001 -0.943 206 HG22 ILE 27 2HG2 ILE 27 -2.877 -0.133 0.336 207 HG23 ILE 27 3HG2 ILE 27 -2.607 1.569 0.718 208 HD11 ILE 27 3HD1 ILE 27 -3.278 -0.087 -2.551 209 HD12 ILE 27 1HD1 ILE 27 -4.253 1.273 -3.116 210 HD13 ILE 27 2HD1 ILE 27 -4.773 -0.380 -3.436 211 H ARG 28 H ARG 28 -4.775 0.484 3.456 212 HA ARG 28 HA ARG 28 -3.801 3.134 4.260 213 HB2 ARG 28 1HB ARG 28 -4.193 0.537 5.825 214 HB3 ARG 28 2HB ARG 28 -3.556 2.024 6.526 215 HG2 ARG 28 1HG ARG 28 -5.659 3.169 6.152 216 HG3 ARG 28 2HG ARG 28 -6.302 1.790 5.260 217 HD2 ARG 28 1HD ARG 28 -7.223 1.875 7.539 218 HD3 ARG 28 2HD ARG 28 -6.252 0.423 7.300 219 HE ARG 28 HE ARG 28 -4.432 1.579 8.525 220 HH11 ARG 28 1HH1 ARG 28 -7.711 2.745 9.046 221 HH12 ARG 28 2HH1 ARG 28 -7.365 3.346 10.634 222 HH21 ARG 28 1HH2 ARG 28 -4.019 2.355 10.610 223 HH22 ARG 28 2HH2 ARG 28 -5.280 3.132 11.516 224 H TYR 29 H TYR 29 -1.646 3.551 4.349 225 HA TYR 29 HA TYR 29 0.263 1.309 4.516 226 HB2 TYR 29 1HB TYR 29 1.863 2.534 3.074 227 HB3 TYR 29 2HB TYR 29 0.398 2.113 2.203 228 HD1 TYR 29 HD2 TYR 29 -1.300 3.954 1.662 229 HD2 TYR 29 HD1 TYR 29 2.568 4.833 3.265 230 HE1 TYR 29 HE2 TYR 29 -1.536 6.302 0.964 231 HE2 TYR 29 HE1 TYR 29 2.323 7.167 2.570 232 HH TYR 29 HH TYR 29 1.013 8.458 0.842 233 H GLU 30 H GLU 30 1.318 1.466 6.357 234 HA GLU 30 HA GLU 30 1.611 4.067 7.742 235 HB2 GLU 30 1HB GLU 30 0.587 1.470 8.987 236 HB3 GLU 30 2HB GLU 30 0.866 2.985 9.849 237 HG2 GLU 30 1HG GLU 30 -0.906 4.073 8.525 238 HG3 GLU 30 2HG GLU 30 -1.170 2.579 7.629 239 H VAL 31 H VAL 31 3.716 4.366 8.202 240 HA VAL 31 HA VAL 31 5.602 2.175 7.999 241 HB VAL 31 HB VAL 31 6.124 5.113 8.692 242 HG11 VAL 31 1HG1 VAL 31 8.067 2.957 7.755 243 HG12 VAL 31 2HG1 VAL 31 7.990 3.660 9.373 244 HG13 VAL 31 3HG1 VAL 31 8.462 4.664 8.001 245 HG21 VAL 31 3HG2 VAL 31 5.054 4.937 6.490 246 HG22 VAL 31 1HG2 VAL 31 6.240 3.733 5.979 247 HG23 VAL 31 2HG2 VAL 31 6.747 5.389 6.306 248 H ARG 32 H ARG 32 5.946 0.923 9.664 249 HA ARG 32 HA ARG 32 6.076 1.972 12.439 250 HB2 ARG 32 1HB ARG 32 4.128 0.411 12.050 251 HB3 ARG 32 2HB ARG 32 5.254 -0.827 11.500 252 HG2 ARG 32 1HG ARG 32 6.335 -0.475 13.905 253 HG3 ARG 32 2HG ARG 32 4.749 0.193 14.298 254 HD2 ARG 32 1HD ARG 32 3.671 -1.898 13.676 255 HD3 ARG 32 2HD ARG 32 5.210 -2.535 13.075 256 HE ARG 32 HE ARG 32 4.966 -1.827 15.922 257 HH11 ARG 32 1HH1 ARG 32 5.348 -4.332 13.475 258 HH12 ARG 32 2HH1 ARG 32 5.739 -5.564 14.630 259 HH21 ARG 32 1HH2 ARG 32 5.548 -3.447 17.409 260 HH22 ARG 32 2HH2 ARG 32 5.857 -5.065 16.860 261 H GLN 33 H GLN 33 7.705 0.691 13.766 262 HA GLN 33 HA GLN 33 10.009 -0.099 12.106 263 HB2 GLN 33 1HB GLN 33 10.064 0.767 15.019 264 HB3 GLN 33 2HB GLN 33 11.452 0.538 13.967 265 HG2 GLN 33 1HG GLN 33 9.357 2.724 13.730 266 HG3 GLN 33 2HG GLN 33 10.988 2.915 14.361 267 HE21 GLN 33 2HE2 GLN 33 9.034 2.694 11.508 268 HE22 GLN 33 1HE2 GLN 33 10.282 3.042 10.371 269 H ASN 34 H ASN 34 10.456 -2.206 12.034 270 HA ASN 34 HA ASN 34 9.785 -4.027 14.240 271 HB2 ASN 34 1HB ASN 34 10.403 -5.859 12.729 272 HB3 ASN 34 2HB ASN 34 9.309 -4.771 11.874 273 HD21 ASN 34 2HD2 ASN 34 10.464 -3.138 10.438 274 HD22 ASN 34 1HD2 ASN 34 11.839 -3.704 9.572 275 H ALA 35 H ALA 35 11.408 -5.119 15.406 276 HA ALA 35 HA ALA 35 13.799 -3.620 15.923 277 HB1 ALA 35 3HB ALA 35 12.543 -4.801 17.696 278 HB2 ALA 35 1HB ALA 35 14.231 -5.318 17.648 279 HB3 ALA 35 2HB ALA 35 12.969 -6.350 16.969 280 H GLU 36 H GLU 36 13.102 -5.997 13.626 281 HA GLU 36 HA GLU 36 15.609 -7.387 13.571 282 HB2 GLU 36 1HB GLU 36 13.597 -8.587 13.016 283 HB3 GLU 36 2HB GLU 36 13.171 -7.417 11.772 284 HG2 GLU 36 1HG GLU 36 15.047 -8.145 10.402 285 HG3 GLU 36 2HG GLU 36 15.561 -9.275 11.655 286 H SER 37 H SER 37 14.079 -4.933 11.475 287 HA SER 37 HA SER 37 16.609 -4.581 9.969 288 HB2 SER 37 1HB SER 37 15.011 -5.989 8.668 289 HB3 SER 37 2HB SER 37 13.796 -4.715 8.778 290 HG SER 37 HG SER 37 16.093 -3.687 7.823 291 H GLY 38 H GLY 38 14.256 -3.103 11.854 292 HA2 GLY 38 1HA GLY 38 14.272 -0.846 12.507 293 HA3 GLY 38 2HA GLY 38 15.099 -0.412 11.015 294 H ALA 39 H ALA 39 13.866 0.635 9.576 295 HA ALA 39 HA ALA 39 11.068 1.051 10.017 296 HB1 ALA 39 3HB ALA 39 12.532 2.825 9.127 297 HB2 ALA 39 1HB ALA 39 11.179 2.519 8.037 298 HB3 ALA 39 2HB ALA 39 12.787 1.902 7.645 299 H TYR 40 H TYR 40 9.326 0.188 9.057 300 HA TYR 40 HA TYR 40 9.401 -1.009 6.420 301 HB2 TYR 40 1HB TYR 40 8.705 -3.193 6.911 302 HB3 TYR 40 2HB TYR 40 9.839 -2.897 8.213 303 HD1 TYR 40 HD1 TYR 40 8.905 -2.370 10.554 304 HD2 TYR 40 HD2 TYR 40 6.409 -3.763 7.365 305 HE1 TYR 40 HE1 TYR 40 7.199 -3.055 12.174 306 HE2 TYR 40 HE2 TYR 40 4.715 -4.429 8.991 307 HH TYR 40 HH TYR 40 4.603 -5.085 11.332 308 H VAL 41 H VAL 41 7.042 -1.590 5.758 309 HA VAL 41 HA VAL 41 5.114 0.262 7.046 310 HB VAL 41 HB VAL 41 5.094 -0.528 4.101 311 HG11 VAL 41 1HG1 VAL 41 3.499 1.592 5.592 312 HG12 VAL 41 2HG1 VAL 41 2.874 0.064 4.971 313 HG13 VAL 41 3HG1 VAL 41 3.444 1.301 3.851 314 HG21 VAL 41 3HG2 VAL 41 7.071 0.850 4.554 315 HG22 VAL 41 1HG2 VAL 41 6.051 2.083 5.295 316 HG23 VAL 41 2HG2 VAL 41 5.891 1.724 3.574 317 H HIS 42 H HIS 42 3.436 -0.737 7.927 318 HA HIS 42 HA HIS 42 2.529 -3.378 7.046 319 HB2 HIS 42 1HB HIS 42 2.545 -2.702 9.509 320 HB3 HIS 42 2HB HIS 42 1.279 -1.528 9.150 321 HD1 HIS 42 HD1 HIS 42 1.660 -4.812 10.453 322 HD2 HIS 42 HD2 HIS 42 -1.084 -3.079 7.849 323 HE1 HIS 42 HE1 HIS 42 -0.365 -6.290 10.517 324 HE2 HIS 42 HE2 HIS 42 -1.999 -5.241 8.923 325 H PHE 43 H PHE 43 1.431 -3.294 5.102 326 HA PHE 43 HA PHE 43 -0.379 -1.074 4.497 327 HB2 PHE 43 1HB PHE 43 0.373 -3.500 2.801 328 HB3 PHE 43 2HB PHE 43 -0.546 -2.103 2.262 329 HD1 PHE 43 HD2 PHE 43 2.829 -3.353 3.135 330 HD2 PHE 43 HD1 PHE 43 0.603 -0.024 1.629 331 HE1 PHE 43 HE2 PHE 43 4.905 -2.337 2.306 332 HE2 PHE 43 HE1 PHE 43 2.686 0.972 0.788 333 HZ PHE 43 HZ PHE 43 4.838 -0.175 1.129 334 H ASP 44 H ASP 44 -2.557 -1.337 4.580 335 HA ASP 44 HA ASP 44 -3.764 -4.005 5.079 336 HB2 ASP 44 1HB ASP 44 -3.744 -2.684 7.157 337 HB3 ASP 44 2HB ASP 44 -4.424 -1.293 6.322 338 H MET 45 H MET 45 -5.568 -4.459 3.725 339 HA MET 45 HA MET 45 -6.702 -2.273 2.100 340 HB2 MET 45 1HB MET 45 -5.741 -4.971 1.028 341 HB3 MET 45 2HB MET 45 -6.655 -3.795 0.093 342 HG2 MET 45 1HG MET 45 -4.787 -2.193 0.294 343 HG3 MET 45 2HG MET 45 -3.871 -3.378 1.223 344 HE1 MET 45 3HE MET 45 -6.190 -4.086 -1.919 345 HE2 MET 45 1HE MET 45 -5.009 -3.969 -3.223 346 HE3 MET 45 2HE MET 45 -5.441 -2.533 -2.294 347 H ASP 46 H ASP 46 -8.928 -2.356 1.984 348 HA ASP 46 HA ASP 46 -10.398 -4.854 2.231 349 HB2 ASP 46 1HB ASP 46 -11.648 -4.335 4.237 350 HB3 ASP 46 2HB ASP 46 -9.942 -4.185 4.633 351 H GLY 47 H GLY 47 -12.725 -4.589 1.893 352 HA2 GLY 47 1HA GLY 47 -14.290 -2.380 1.551 353 HA3 GLY 47 2HA GLY 47 -13.445 -2.497 0.004 354 H GLU 48 H GLU 48 -15.503 -2.993 -1.092 355 HA GLU 48 HA GLU 48 -15.835 -5.877 -1.134 356 HB2 GLU 48 1HB GLU 48 -18.321 -5.777 -1.197 357 HB3 GLU 48 2HB GLU 48 -17.644 -5.396 0.375 358 HG2 GLU 48 1HG GLU 48 -18.495 -3.219 -1.544 359 HG3 GLU 48 2HG GLU 48 -19.657 -4.014 -0.484 360 H ILE 49 H ILE 49 -15.145 -6.131 -3.111 361 HA ILE 49 HA ILE 49 -16.145 -4.591 -5.373 362 HB ILE 49 HB ILE 49 -14.242 -6.972 -5.379 363 HG12 ILE 49 1HG1 ILE 49 -13.609 -3.974 -5.550 364 HG13 ILE 49 2HG1 ILE 49 -13.395 -4.963 -4.109 365 HG21 ILE 49 1HG2 ILE 49 -14.900 -4.991 -7.607 366 HG22 ILE 49 2HG2 ILE 49 -15.306 -6.706 -7.581 367 HG23 ILE 49 3HG2 ILE 49 -13.619 -6.207 -7.675 368 HD11 ILE 49 3HD1 ILE 49 -11.702 -6.280 -5.246 369 HD12 ILE 49 1HD1 ILE 49 -11.305 -4.565 -5.274 370 HD13 ILE 49 2HD1 ILE 49 -11.946 -5.340 -6.720 371 H ASP 50 H ASP 50 -17.717 -5.108 -6.726 372 HA ASP 50 HA ASP 50 -19.637 -5.971 -7.503 373 HB2 ASP 50 1HB ASP 50 -18.016 -7.685 -8.467 374 HB3 ASP 50 2HB ASP 50 -18.352 -8.711 -7.078 375 H GLY 51 H GLY 51 -19.242 -5.444 -4.659 376 HA2 GLY 51 1HA GLY 51 -20.594 -5.429 -2.791 377 HA3 GLY 51 2HA GLY 51 -21.628 -6.643 -3.532 378 H LYS 52 H LYS 52 -18.434 -7.709 -3.696 379 HA LYS 52 HA LYS 52 -18.865 -9.626 -1.568 380 HB2 LYS 52 1HB LYS 52 -16.810 -9.501 -3.789 381 HB3 LYS 52 2HB LYS 52 -17.032 -10.869 -2.688 382 HG2 LYS 52 1HG LYS 52 -19.215 -11.363 -3.581 383 HG3 LYS 52 2HG LYS 52 -19.257 -9.849 -4.491 384 HD2 LYS 52 1HD LYS 52 -17.394 -10.672 -5.909 385 HD3 LYS 52 2HD LYS 52 -17.397 -12.199 -5.021 386 HE2 LYS 52 1HE LYS 52 -19.581 -12.760 -5.854 387 HE3 LYS 52 2HE LYS 52 -19.823 -11.140 -6.509 388 HZ1 LYS 52 3HZ LYS 52 -18.083 -11.540 -8.101 389 HZ2 LYS 52 1HZ LYS 52 -19.259 -12.749 -8.222 390 HZ3 LYS 52 2HZ LYS 52 -17.787 -13.074 -7.463 391 HA PRO 53 HA PRO 53 -16.126 -7.049 0.967 392 HB2 PRO 53 1HB PRO 53 -16.406 -8.406 3.328 393 HB3 PRO 53 2HB PRO 53 -17.671 -7.348 2.684 394 HG2 PRO 53 1HG PRO 53 -17.435 -10.353 2.485 395 HG3 PRO 53 2HG PRO 53 -18.851 -9.373 2.933 396 HD2 PRO 53 1HD PRO 53 -18.528 -10.360 0.422 397 HD3 PRO 53 2HD PRO 53 -19.313 -8.794 0.713 398 H PHE 54 H PHE 54 -13.974 -7.141 1.422 399 HA PHE 54 HA PHE 54 -12.605 -9.714 1.789 400 HB2 PHE 54 1HB PHE 54 -10.886 -9.250 0.133 401 HB3 PHE 54 2HB PHE 54 -12.449 -9.193 -0.659 402 HD1 PHE 54 HD1 PHE 54 -13.431 -6.926 -1.293 403 HD2 PHE 54 HD2 PHE 54 -9.396 -7.357 0.079 404 HE1 PHE 54 HE1 PHE 54 -12.859 -4.730 -2.244 405 HE2 PHE 54 HE2 PHE 54 -8.844 -5.160 -0.873 406 HZ PHE 54 HZ PHE 54 -10.571 -3.842 -2.034 407 H SER 55 H SER 55 -10.833 -9.606 3.106 408 HA SER 55 HA SER 55 -9.673 -7.004 3.838 409 HB2 SER 55 1HB SER 55 -9.623 -7.759 6.253 410 HB3 SER 55 2HB SER 55 -11.252 -7.467 5.644 411 HG SER 55 HG SER 55 -9.980 -9.999 5.890 412 H ASP 56 H ASP 56 -7.580 -7.129 3.394 413 HA ASP 56 HA ASP 56 -5.988 -9.549 3.813 414 HB2 ASP 56 1HB ASP 56 -6.988 -9.660 1.450 415 HB3 ASP 56 2HB ASP 56 -6.082 -8.205 1.066 416 H SER 57 H SER 57 -3.678 -9.056 3.773 417 HA SER 57 HA SER 57 -2.866 -6.245 3.771 418 HB2 SER 57 1HB SER 57 -2.648 -7.977 6.276 419 HB3 SER 57 2HB SER 57 -1.935 -6.376 6.085 420 HG SER 57 HG SER 57 -4.393 -5.975 5.492 421 H PHE 58 H PHE 58 -0.600 -5.938 3.722 422 HA PHE 58 HA PHE 58 1.203 -8.245 3.823 423 HB2 PHE 58 1HB PHE 58 2.361 -7.563 1.710 424 HB3 PHE 58 2HB PHE 58 0.732 -8.151 1.446 425 HD1 PHE 58 HD2 PHE 58 -1.133 -6.450 0.970 426 HD2 PHE 58 HD1 PHE 58 3.009 -5.386 0.909 427 HE1 PHE 58 HE2 PHE 58 -1.658 -4.467 -0.384 428 HE2 PHE 58 HE1 PHE 58 2.472 -3.396 -0.441 429 HZ PHE 58 HZ PHE 58 0.142 -2.941 -1.097 430 H GLU 59 H GLU 59 3.335 -7.694 4.343 431 HA GLU 59 HA GLU 59 3.838 -4.912 5.234 432 HB2 GLU 59 1HB GLU 59 4.526 -7.497 6.710 433 HB3 GLU 59 2HB GLU 59 5.094 -5.898 7.190 434 HG2 GLU 59 1HG GLU 59 2.851 -5.162 7.671 435 HG3 GLU 59 2HG GLU 59 2.164 -6.625 6.986 436 H LEU 60 H LEU 60 5.713 -4.073 4.555 437 HA LEU 60 HA LEU 60 7.738 -5.795 3.241 438 HB2 LEU 60 1HB LEU 60 6.482 -3.236 2.173 439 HB3 LEU 60 2HB LEU 60 7.918 -3.974 1.481 440 HG LEU 60 HG LEU 60 5.191 -5.327 1.593 441 HD11 LEU 60 1HD1 LEU 60 5.093 -3.371 0.120 442 HD12 LEU 60 2HD1 LEU 60 5.005 -4.865 -0.809 443 HD13 LEU 60 3HD1 LEU 60 6.511 -3.943 -0.762 444 HD21 LEU 60 3HD2 LEU 60 7.054 -6.923 1.529 445 HD22 LEU 60 1HD2 LEU 60 7.728 -6.108 0.112 446 HD23 LEU 60 2HD2 LEU 60 6.169 -6.934 0.007 447 HA PRO 61 HA PRO 61 10.400 -3.172 5.903 448 HB2 PRO 61 1HB PRO 61 12.800 -4.218 5.025 449 HB3 PRO 61 2HB PRO 61 11.778 -5.005 6.236 450 HG2 PRO 61 1HG PRO 61 11.922 -5.524 3.260 451 HG3 PRO 61 2HG PRO 61 11.960 -6.694 4.602 452 HD2 PRO 61 1HD PRO 61 9.688 -6.241 3.246 453 HD3 PRO 61 2HD PRO 61 9.645 -6.481 5.010 454 H ARG 62 H ARG 62 12.017 -1.529 5.514 455 HA ARG 62 HA ARG 62 11.600 0.331 3.616 456 HB2 ARG 62 1HB ARG 62 13.001 0.665 5.615 457 HB3 ARG 62 2HB ARG 62 14.281 -0.316 4.905 458 HG2 ARG 62 1HG ARG 62 14.551 1.379 3.106 459 HG3 ARG 62 2HG ARG 62 13.304 2.366 3.867 460 HD2 ARG 62 1HD ARG 62 14.705 2.639 5.863 461 HD3 ARG 62 2HD ARG 62 15.936 1.576 5.163 462 HE ARG 62 HE ARG 62 15.146 4.091 3.837 463 HH11 ARG 62 1HH1 ARG 62 17.687 2.145 5.286 464 HH12 ARG 62 2HH1 ARG 62 18.960 3.172 4.707 465 HH21 ARG 62 1HH2 ARG 62 16.827 5.385 3.048 466 HH22 ARG 62 2HH2 ARG 62 18.474 5.000 3.440 467 H ASP 63 H ASP 63 13.630 -2.498 3.147 468 HA ASP 63 HA ASP 63 14.993 -1.627 0.781 469 HB2 ASP 63 1HB ASP 63 15.917 -3.358 2.294 470 HB3 ASP 63 2HB ASP 63 14.579 -4.433 1.909 471 H THR 64 H THR 64 11.916 -3.286 1.367 472 HA THR 64 HA THR 64 11.572 -3.845 -1.528 473 HB THR 64 HB THR 64 10.212 -5.844 -0.904 474 HG1 THR 64 HG1 THR 64 9.843 -6.349 1.139 475 HG21 THR 64 3HG2 THR 64 13.010 -5.937 0.298 476 HG22 THR 64 1HG2 THR 64 12.610 -6.211 -1.402 477 HG23 THR 64 2HG2 THR 64 12.041 -7.335 -0.168 478 H ALA 65 H ALA 65 10.638 -1.818 0.773 479 HA ALA 65 HA ALA 65 7.838 -1.762 0.862 480 HB1 ALA 65 3HB ALA 65 9.254 -0.349 2.299 481 HB2 ALA 65 1HB ALA 65 8.043 0.621 1.456 482 HB3 ALA 65 2HB ALA 65 9.721 0.622 0.902 483 H PHE 66 H PHE 66 10.033 -0.721 -1.586 484 HA PHE 66 HA PHE 66 8.315 0.741 -3.287 485 HB2 PHE 66 1HB PHE 66 10.874 -0.724 -4.049 486 HB3 PHE 66 2HB PHE 66 10.166 0.663 -4.876 487 HD1 PHE 66 HD2 PHE 66 9.700 2.754 -3.215 488 HD2 PHE 66 HD1 PHE 66 12.683 -0.257 -2.612 489 HE1 PHE 66 HE2 PHE 66 10.928 4.260 -1.724 490 HE2 PHE 66 HE1 PHE 66 13.904 1.266 -1.111 491 HZ PHE 66 HZ PHE 66 13.024 3.528 -0.668 492 H ASN 67 H ASN 67 8.360 -2.583 -2.716 493 HA ASN 67 HA ASN 67 7.302 -3.409 -5.316 494 HB2 ASN 67 1HB ASN 67 7.779 -4.994 -2.764 495 HB3 ASN 67 2HB ASN 67 7.243 -5.692 -4.291 496 HD21 ASN 67 2HD2 ASN 67 9.617 -6.246 -2.703 497 HD22 ASN 67 1HD2 ASN 67 10.967 -5.995 -3.751 498 H PHE 68 H PHE 68 6.061 -1.710 -2.910 499 HA PHE 68 HA PHE 68 3.804 -2.849 -1.877 500 HB2 PHE 68 1HB PHE 68 2.910 -0.602 -1.540 501 HB3 PHE 68 2HB PHE 68 4.637 -0.602 -1.244 502 HD1 PHE 68 HD1 PHE 68 6.191 0.391 -3.066 503 HD2 PHE 68 HD2 PHE 68 1.949 0.907 -3.129 504 HE1 PHE 68 HE1 PHE 68 6.454 2.303 -4.586 505 HE2 PHE 68 HE2 PHE 68 2.223 2.819 -4.659 506 HZ PHE 68 HZ PHE 68 4.467 3.525 -5.385 507 H ALA 69 H ALA 69 4.057 -1.182 -5.026 508 HA ALA 69 HA ALA 69 1.394 -1.319 -5.775 509 HB1 ALA 69 3HB ALA 69 3.840 -1.230 -7.564 510 HB2 ALA 69 1HB ALA 69 3.071 0.162 -6.799 511 HB3 ALA 69 2HB ALA 69 2.196 -0.768 -8.014 512 H SER 70 H SER 70 3.900 -3.860 -6.017 513 HA SER 70 HA SER 70 2.656 -5.416 -8.030 514 HB2 SER 70 1HB SER 70 4.540 -6.300 -5.796 515 HB3 SER 70 2HB SER 70 4.211 -7.186 -7.291 516 HG SER 70 HG SER 70 6.183 -5.877 -7.252 517 H ASP 71 H ASP 71 2.685 -5.656 -4.466 518 HA ASP 71 HA ASP 71 0.842 -7.819 -4.286 519 HB2 ASP 71 1HB ASP 71 1.564 -5.769 -2.158 520 HB3 ASP 71 2HB ASP 71 0.810 -7.334 -1.872 521 H ALA 72 H ALA 72 0.471 -4.337 -3.650 522 HA ALA 72 HA ALA 72 -2.185 -4.110 -2.990 523 HB1 ALA 72 3HB ALA 72 -2.110 -1.784 -3.797 524 HB2 ALA 72 1HB ALA 72 -0.634 -2.133 -4.701 525 HB3 ALA 72 2HB ALA 72 -0.630 -2.208 -2.938 526 H THR 73 H THR 73 -0.908 -3.891 -6.320 527 HA THR 73 HA THR 73 -3.324 -3.853 -7.742 528 HB THR 73 HB THR 73 -0.597 -4.951 -8.549 529 HG1 THR 73 HG1 THR 73 -0.158 -2.911 -8.762 530 HG21 THR 73 3HG2 THR 73 -1.330 -4.677 -10.904 531 HG22 THR 73 1HG2 THR 73 -2.961 -4.294 -10.352 532 HG23 THR 73 2HG2 THR 73 -2.289 -5.903 -10.073 533 H ARG 74 H ARG 74 -1.358 -6.572 -6.606 534 HA ARG 74 HA ARG 74 -2.604 -8.689 -7.968 535 HB2 ARG 74 1HB ARG 74 -0.384 -8.753 -6.756 536 HB3 ARG 74 2HB ARG 74 -1.268 -8.814 -5.237 537 HG2 ARG 74 1HG ARG 74 -2.271 -10.989 -5.936 538 HG3 ARG 74 2HG ARG 74 -1.320 -10.922 -7.427 539 HD2 ARG 74 1HD ARG 74 -0.292 -11.168 -4.577 540 HD3 ARG 74 2HD ARG 74 -0.113 -12.332 -5.894 541 HE ARG 74 HE ARG 74 1.228 -10.418 -6.997 542 HH11 ARG 74 1HH1 ARG 74 1.356 -11.272 -3.602 543 HH12 ARG 74 2HH1 ARG 74 2.860 -10.449 -3.334 544 HH21 ARG 74 1HH2 ARG 74 3.217 -9.379 -6.620 545 HH22 ARG 74 2HH2 ARG 74 3.922 -9.422 -5.037 546 H VAL 75 H VAL 75 -3.207 -7.366 -4.710 547 HA VAL 75 HA VAL 75 -5.247 -9.155 -3.909 548 HB VAL 75 HB VAL 75 -4.750 -6.291 -2.950 549 HG11 VAL 75 1HG1 VAL 75 -6.991 -7.044 -2.275 550 HG12 VAL 75 2HG1 VAL 75 -5.936 -6.960 -0.867 551 HG13 VAL 75 3HG1 VAL 75 -6.320 -8.526 -1.588 552 HG21 VAL 75 3HG2 VAL 75 -3.462 -7.291 -1.103 553 HG22 VAL 75 1HG2 VAL 75 -2.760 -7.722 -2.662 554 HG23 VAL 75 2HG2 VAL 75 -3.717 -8.904 -1.773 555 H ALA 76 H ALA 76 -5.280 -6.210 -5.867 556 HA ALA 76 HA ALA 76 -8.067 -5.569 -5.565 557 HB1 ALA 76 3HB ALA 76 -6.006 -4.649 -7.610 558 HB2 ALA 76 1HB ALA 76 -6.367 -3.852 -6.078 559 HB3 ALA 76 2HB ALA 76 -7.593 -3.919 -7.344 560 H GLN 77 H GLN 77 -6.039 -6.940 -8.129 561 HA GLN 77 HA GLN 77 -8.129 -7.239 -10.028 562 HB2 GLN 77 1HB GLN 77 -6.428 -8.293 -11.460 563 HB3 GLN 77 2HB GLN 77 -5.853 -6.790 -10.746 564 HG2 GLN 77 1HG GLN 77 -4.602 -8.109 -9.050 565 HG3 GLN 77 2HG GLN 77 -5.122 -9.589 -9.854 566 HE21 GLN 77 2HE2 GLN 77 -2.961 -10.184 -10.271 567 HE22 GLN 77 1HE2 GLN 77 -2.021 -9.411 -11.498 568 H LYS 78 H LYS 78 -6.566 -9.539 -7.796 569 HA LYS 78 HA LYS 78 -7.772 -11.918 -8.684 570 HB2 LYS 78 1HB LYS 78 -6.976 -11.083 -5.868 571 HB3 LYS 78 2HB LYS 78 -7.508 -12.709 -6.283 572 HG2 LYS 78 1HG LYS 78 -5.574 -12.908 -7.845 573 HG3 LYS 78 2HG LYS 78 -5.020 -11.318 -7.319 574 HD2 LYS 78 1HD LYS 78 -5.317 -13.794 -5.566 575 HD3 LYS 78 2HD LYS 78 -3.796 -13.106 -6.139 576 HE2 LYS 78 1HE LYS 78 -4.148 -11.104 -4.791 577 HE3 LYS 78 2HE LYS 78 -5.752 -11.658 -4.308 578 HZ1 LYS 78 3HZ LYS 78 -4.702 -13.538 -3.191 579 HZ2 LYS 78 1HZ LYS 78 -4.161 -12.066 -2.571 580 HZ3 LYS 78 2HZ LYS 78 -3.177 -12.958 -3.615 581 H HIS 79 H HIS 79 -9.033 -9.249 -6.787 582 HA HIS 79 HA HIS 79 -11.493 -10.691 -6.087 583 HB2 HIS 79 1HB HIS 79 -10.375 -8.002 -5.208 584 HB3 HIS 79 2HB HIS 79 -12.001 -8.535 -4.791 585 HD1 HIS 79 HD1 HIS 79 -8.907 -8.312 -3.248 586 HD2 HIS 79 HD2 HIS 79 -11.648 -11.412 -3.579 587 HE1 HIS 79 HE1 HIS 79 -8.373 -9.876 -1.368 588 HE2 HIS 79 HE2 HIS 79 -9.998 -11.784 -1.629 589 H GLY 80 H GLY 80 -10.650 -9.501 -8.895 590 HA2 GLY 80 1HA GLY 80 -12.220 -9.268 -10.615 591 HA3 GLY 80 2HA GLY 80 -13.395 -8.624 -9.490 592 H LEU 81 H LEU 81 -10.100 -7.695 -10.568 593 HA LEU 81 HA LEU 81 -11.316 -5.268 -11.782 594 HB2 LEU 81 1HB LEU 81 -8.718 -5.541 -10.257 595 HB3 LEU 81 2HB LEU 81 -8.687 -4.505 -11.665 596 HG LEU 81 HG LEU 81 -9.009 -3.116 -9.745 597 HD11 LEU 81 1HD1 LEU 81 -10.250 -2.425 -11.732 598 HD12 LEU 81 2HD1 LEU 81 -11.097 -1.960 -10.261 599 HD13 LEU 81 3HD1 LEU 81 -11.663 -3.343 -11.199 600 HD21 LEU 81 3HD2 LEU 81 -9.835 -4.788 -8.170 601 HD22 LEU 81 1HD2 LEU 81 -11.405 -4.801 -8.978 602 HD23 LEU 81 2HD2 LEU 81 -10.846 -3.343 -8.153 603 H HIS 82 H HIS 82 -9.657 -8.215 -12.246 604 HA HIS 82 HA HIS 82 -8.435 -9.243 -13.852 605 HB2 HIS 82 1HB HIS 82 -9.427 -7.002 -15.684 606 HB3 HIS 82 2HB HIS 82 -8.552 -8.419 -16.240 607 HD1 HIS 82 HD1 HIS 82 -9.999 -10.260 -17.059 608 HD2 HIS 82 HD2 HIS 82 -12.026 -7.812 -14.383 609 HE1 HIS 82 HE1 HIS 82 -12.356 -11.096 -17.043 610 HE2 HIS 82 HE2 HIS 82 -13.532 -9.698 -15.312 611 HA PRO 83 HA PRO 83 -4.233 -7.416 -13.931 612 HB2 PRO 83 1HB PRO 83 -4.276 -7.798 -16.943 613 HB3 PRO 83 2HB PRO 83 -2.982 -8.157 -15.783 614 HG2 PRO 83 1HG PRO 83 -4.512 -10.140 -16.690 615 HG3 PRO 83 2HG PRO 83 -4.065 -10.089 -14.970 616 HD2 PRO 83 1HD PRO 83 -6.691 -9.412 -16.272 617 HD3 PRO 83 2HD PRO 83 -6.375 -10.168 -14.694 618 H LYS 84 H LYS 84 -4.528 -5.294 -13.387 619 HA LYS 84 HA LYS 84 -5.929 -3.376 -14.985 620 HB2 LYS 84 1HB LYS 84 -5.586 -1.820 -13.224 621 HB3 LYS 84 2HB LYS 84 -5.724 -3.374 -12.429 622 HG2 LYS 84 1HG LYS 84 -3.930 -2.556 -11.247 623 HG3 LYS 84 2HG LYS 84 -3.042 -3.292 -12.580 624 HD2 LYS 84 1HD LYS 84 -3.064 -1.000 -13.718 625 HD3 LYS 84 2HD LYS 84 -3.736 -0.344 -12.225 626 HE2 LYS 84 1HE LYS 84 -1.059 -1.761 -12.460 627 HE3 LYS 84 2HE LYS 84 -1.276 -0.012 -12.406 628 HZ1 LYS 84 3HZ LYS 84 -2.001 -1.922 -10.254 629 HZ2 LYS 84 1HZ LYS 84 -2.227 -0.250 -10.196 630 HZ3 LYS 84 2HZ LYS 84 -0.666 -0.888 -10.260 631 H PHE 85 H PHE 85 -2.682 -4.473 -14.987 632 HA PHE 85 HA PHE 85 -1.570 -2.192 -16.391 633 HB2 PHE 85 1HB PHE 85 -0.184 -3.667 -14.917 634 HB3 PHE 85 2HB PHE 85 -0.462 -5.013 -16.015 635 HD1 PHE 85 HD2 PHE 85 0.861 -1.500 -16.015 636 HD2 PHE 85 HD1 PHE 85 1.154 -5.428 -17.688 637 HE1 PHE 85 HE2 PHE 85 2.809 -0.803 -17.333 638 HE2 PHE 85 HE1 PHE 85 3.103 -4.716 -19.007 639 HZ PHE 85 HZ PHE 85 3.933 -2.399 -18.830 640 H GLY 86 H GLY 86 -3.046 -5.293 -17.163 641 HA2 GLY 86 1HA GLY 86 -2.599 -5.306 -19.981 642 HA3 GLY 86 2HA GLY 86 -3.835 -6.209 -19.113 643 H ALA 87 H ALA 87 -5.043 -3.831 -17.908 644 HA ALA 87 HA ALA 87 -6.005 -2.221 -20.209 645 HB1 ALA 87 3HB ALA 87 -7.762 -3.857 -19.635 646 HB2 ALA 87 1HB ALA 87 -8.271 -2.211 -19.258 647 HB3 ALA 87 2HB ALA 87 -7.758 -3.293 -17.962 648 H ILE 88 H ILE 88 -4.504 -0.654 -19.637 649 HA ILE 88 HA ILE 88 -3.904 0.213 -17.019 650 HB ILE 88 HB ILE 88 -2.688 2.120 -18.103 651 HG12 ILE 88 1HG1 ILE 88 -3.874 1.008 -20.699 652 HG13 ILE 88 2HG1 ILE 88 -4.280 2.554 -19.967 653 HG21 ILE 88 1HG2 ILE 88 -1.023 0.754 -19.311 654 HG22 ILE 88 2HG2 ILE 88 -2.171 -0.582 -19.403 655 HG23 ILE 88 3HG2 ILE 88 -1.563 -0.050 -17.835 656 HD11 ILE 88 3HD1 ILE 88 -1.974 3.315 -20.365 657 HD12 ILE 88 1HD1 ILE 88 -2.826 2.865 -21.841 658 HD13 ILE 88 2HD1 ILE 88 -1.627 1.772 -21.156 659 H THR 89 H THR 89 -4.110 2.357 -16.125 660 HA THR 89 HA THR 89 -6.699 3.456 -16.011 661 HB THR 89 HB THR 89 -5.594 5.381 -14.791 662 HG1 THR 89 HG1 THR 89 -3.540 5.731 -15.127 663 HG21 THR 89 3HG2 THR 89 -4.626 2.634 -13.900 664 HG22 THR 89 1HG2 THR 89 -6.193 3.349 -13.508 665 HG23 THR 89 2HG2 THR 89 -4.710 4.075 -12.884 666 H ARG 90 H ARG 90 -3.766 4.455 -17.733 667 HA ARG 90 HA ARG 90 -3.323 5.569 -19.615 668 HB2 ARG 90 1HB ARG 90 -5.705 4.483 -20.293 669 HB3 ARG 90 2HB ARG 90 -6.182 6.169 -20.357 670 HG2 ARG 90 1HG ARG 90 -3.852 5.009 -21.924 671 HG3 ARG 90 2HG ARG 90 -5.488 5.144 -22.563 672 HD2 ARG 90 1HD ARG 90 -3.746 7.473 -21.674 673 HD3 ARG 90 2HD ARG 90 -4.002 6.962 -23.346 674 HE ARG 90 HE ARG 90 -6.479 7.502 -22.023 675 HH11 ARG 90 1HH1 ARG 90 -3.779 9.139 -23.582 676 HH12 ARG 90 2HH1 ARG 90 -4.715 10.534 -24.005 677 HH21 ARG 90 1HH2 ARG 90 -7.688 9.348 -22.589 678 HH22 ARG 90 2HH2 ARG 90 -6.927 10.648 -23.444 679 H VAL 91 H VAL 91 -5.913 7.098 -17.709 680 HA VAL 91 HA VAL 91 -5.182 9.788 -17.968 681 HB VAL 91 HB VAL 91 -6.385 10.116 -15.808 682 HG11 VAL 91 1HG1 VAL 91 -7.828 8.192 -17.677 683 HG12 VAL 91 2HG1 VAL 91 -7.717 9.943 -17.869 684 HG13 VAL 91 3HG1 VAL 91 -8.600 9.264 -16.502 685 HG21 VAL 91 3HG2 VAL 91 -7.359 8.177 -14.587 686 HG22 VAL 91 1HG2 VAL 91 -5.595 8.119 -14.586 687 HG23 VAL 91 2HG2 VAL 91 -6.511 7.067 -15.666 688 H HIS 92 H HIS 92 -4.607 10.833 -15.504 689 HA HIS 92 HA HIS 92 -1.839 10.751 -15.302 690 HB2 HIS 92 1HB HIS 92 -3.331 12.580 -14.413 691 HB3 HIS 92 2HB HIS 92 -3.754 11.537 -13.063 692 HD1 HIS 92 HD1 HIS 92 -1.997 11.254 -11.196 693 HD2 HIS 92 HD2 HIS 92 -0.724 13.701 -14.290 694 HE1 HIS 92 HE1 HIS 92 0.096 12.335 -10.363 695 HE2 HIS 92 HE2 HIS 92 0.919 13.714 -12.304 696 H LYS 93 H LYS 93 -0.386 9.717 -13.999 697 HA LYS 93 HA LYS 93 -1.314 7.420 -12.362 698 HB2 LYS 93 1HB LYS 93 -0.369 6.737 -14.576 699 HB3 LYS 93 2HB LYS 93 1.135 7.562 -14.181 700 HG2 LYS 93 1HG LYS 93 1.550 5.986 -12.341 701 HG3 LYS 93 2HG LYS 93 -0.007 5.201 -12.642 702 HD2 LYS 93 1HD LYS 93 0.774 4.554 -14.917 703 HD3 LYS 93 2HD LYS 93 2.342 5.298 -14.583 704 HE2 LYS 93 1HE LYS 93 2.731 3.691 -12.772 705 HE3 LYS 93 2HE LYS 93 1.138 2.978 -13.037 706 HZ1 LYS 93 3HZ LYS 93 2.847 1.670 -14.077 707 HZ2 LYS 93 1HZ LYS 93 3.385 2.998 -14.971 708 HZ3 LYS 93 2HZ LYS 93 1.853 2.346 -15.260 709 H GLU 94 H GLU 94 -0.543 7.406 -10.325 710 HA GLU 94 HA GLU 94 1.311 9.574 -9.510 711 HB2 GLU 94 1HB GLU 94 -0.730 8.160 -7.739 712 HB3 GLU 94 2HB GLU 94 0.170 9.625 -7.373 713 HG2 GLU 94 1HG GLU 94 -2.004 10.375 -7.826 714 HG3 GLU 94 2HG GLU 94 -1.115 10.714 -9.311 715 H TYR 95 H TYR 95 2.015 6.689 -10.341 716 HA TYR 95 HA TYR 95 2.672 5.183 -8.039 717 HB2 TYR 95 1HB TYR 95 2.579 4.036 -10.192 718 HB3 TYR 95 2HB TYR 95 3.858 5.056 -10.846 719 HD1 TYR 95 HD2 TYR 95 3.254 2.592 -8.059 720 HD2 TYR 95 HD1 TYR 95 6.114 4.246 -10.773 721 HE1 TYR 95 HE2 TYR 95 4.953 1.012 -7.247 722 HE2 TYR 95 HE1 TYR 95 7.804 2.665 -9.949 723 HH TYR 95 HH TYR 95 7.020 -0.004 -7.945 724 H ASP 96 H ASP 96 4.781 7.201 -10.132 725 HA ASP 96 HA ASP 96 7.101 6.989 -8.563 726 HB2 ASP 96 1HB ASP 96 7.012 7.689 -10.984 727 HB3 ASP 96 2HB ASP 96 6.369 9.246 -10.479 728 H ALA 97 H ALA 97 4.373 9.213 -8.352 729 HA ALA 97 HA ALA 97 5.548 11.165 -6.635 730 HB1 ALA 97 3HB ALA 97 3.511 11.613 -7.939 731 HB2 ALA 97 1HB ALA 97 3.220 11.888 -6.219 732 HB3 ALA 97 2HB ALA 97 2.623 10.417 -6.995 733 H MET 98 H MET 98 3.361 8.439 -5.970 734 HA MET 98 HA MET 98 3.483 8.415 -3.171 735 HB2 MET 98 1HB MET 98 1.766 7.231 -4.517 736 HB3 MET 98 2HB MET 98 2.985 6.119 -5.117 737 HG2 MET 98 1HG MET 98 3.276 5.184 -2.879 738 HG3 MET 98 2HG MET 98 2.145 6.356 -2.211 739 HE1 MET 98 3HE MET 98 -1.219 5.212 -3.927 740 HE2 MET 98 1HE MET 98 -0.085 6.426 -4.519 741 HE3 MET 98 2HE MET 98 -0.493 6.355 -2.801 742 H PHE 99 H PHE 99 5.527 6.946 -5.590 743 HA PHE 99 HA PHE 99 7.100 5.200 -4.041 744 HB2 PHE 99 1HB PHE 99 6.973 5.297 -6.572 745 HB3 PHE 99 2HB PHE 99 7.977 6.733 -6.534 746 HD1 PHE 99 HD1 PHE 99 10.394 6.534 -5.775 747 HD2 PHE 99 HD2 PHE 99 7.932 3.098 -6.439 748 HE1 PHE 99 HE1 PHE 99 12.402 5.120 -5.944 749 HE2 PHE 99 HE2 PHE 99 9.940 1.698 -6.603 750 HZ PHE 99 HZ PHE 99 12.177 2.701 -6.358 751 H GLU 100 H GLU 100 7.783 8.560 -5.081 752 HA GLU 100 HA GLU 100 10.149 8.874 -3.584 753 HB2 GLU 100 1HB GLU 100 8.317 10.916 -4.859 754 HB3 GLU 100 2HB GLU 100 9.810 11.357 -4.035 755 HG2 GLU 100 1HG GLU 100 9.576 9.585 -6.484 756 HG3 GLU 100 2HG GLU 100 10.150 11.251 -6.448 757 H ASP 101 H ASP 101 6.780 9.403 -2.713 758 HA ASP 101 HA ASP 101 7.357 10.820 -0.282 759 HB2 ASP 101 1HB ASP 101 5.115 10.936 -1.315 760 HB3 ASP 101 2HB ASP 101 4.875 9.212 -1.027 761 H ILE 102 H ILE 102 6.623 7.404 -1.028 762 HA ILE 102 HA ILE 102 6.890 6.315 1.529 763 HB ILE 102 HB ILE 102 7.190 5.098 -1.236 764 HG12 ILE 102 1HG1 ILE 102 5.096 4.761 0.968 765 HG13 ILE 102 2HG1 ILE 102 4.917 5.724 -0.495 766 HG21 ILE 102 1HG2 ILE 102 8.712 3.753 0.152 767 HG22 ILE 102 2HG2 ILE 102 7.285 2.818 -0.289 768 HG23 ILE 102 3HG2 ILE 102 7.429 3.490 1.336 769 HD11 ILE 102 3HD1 ILE 102 3.691 3.650 -0.662 770 HD12 ILE 102 1HD1 ILE 102 5.154 2.715 -0.361 771 HD13 ILE 102 2HD1 ILE 102 5.001 3.669 -1.840 772 H ARG 103 H ARG 103 9.423 6.813 -0.947 773 HA ARG 103 HA ARG 103 11.516 5.550 0.514 774 HB2 ARG 103 1HB ARG 103 13.088 6.431 -1.077 775 HB3 ARG 103 2HB ARG 103 11.642 5.949 -1.931 776 HG2 ARG 103 1HG ARG 103 12.145 7.887 -3.035 777 HG3 ARG 103 2HG ARG 103 11.040 8.500 -1.811 778 HD2 ARG 103 1HD ARG 103 12.861 9.376 -0.500 779 HD3 ARG 103 2HD ARG 103 14.056 8.544 -1.504 780 HE ARG 103 HE ARG 103 12.509 10.270 -3.117 781 HH11 ARG 103 1HH1 ARG 103 14.953 10.516 -0.604 782 HH12 ARG 103 2HH1 ARG 103 15.636 11.972 -1.254 783 HH21 ARG 103 1HH2 ARG 103 13.388 12.175 -3.939 784 HH22 ARG 103 2HH2 ARG 103 14.747 12.913 -3.148 785 H ALA 104 H ALA 104 10.111 8.715 0.682 786 HA ALA 104 HA ALA 104 12.082 9.983 2.328 787 HB1 ALA 104 3HB ALA 104 10.494 11.253 0.939 788 HB2 ALA 104 1HB ALA 104 10.385 11.719 2.638 789 HB3 ALA 104 2HB ALA 104 9.157 10.669 1.926 790 H LYS 105 H LYS 105 8.821 8.636 3.040 791 HA LYS 105 HA LYS 105 8.764 8.956 5.776 792 HB2 LYS 105 1HB LYS 105 7.469 6.683 4.216 793 HB3 LYS 105 2HB LYS 105 6.953 7.290 5.785 794 HG2 LYS 105 1HG LYS 105 6.790 8.771 3.139 795 HG3 LYS 105 2HG LYS 105 5.447 8.039 4.009 796 HD2 LYS 105 1HD LYS 105 7.137 10.356 5.034 797 HD3 LYS 105 2HD LYS 105 5.554 10.518 4.270 798 HE2 LYS 105 1HE LYS 105 4.520 9.240 6.087 799 HE3 LYS 105 2HE LYS 105 6.099 8.991 6.836 800 HZ1 LYS 105 3HZ LYS 105 4.855 10.792 7.875 801 HZ2 LYS 105 1HZ LYS 105 4.820 11.634 6.407 802 HZ3 LYS 105 2HZ LYS 105 6.291 11.347 7.182 803 H LEU 106 H LEU 106 9.906 6.171 3.937 804 HA LEU 106 HA LEU 106 10.583 4.544 6.168 805 HB2 LEU 106 1HB LEU 106 11.191 4.387 3.213 806 HB3 LEU 106 2HB LEU 106 12.010 3.301 4.316 807 HG LEU 106 HG LEU 106 10.072 2.206 3.278 808 HD11 LEU 106 1HD1 LEU 106 8.981 1.340 5.296 809 HD12 LEU 106 2HD1 LEU 106 9.660 2.664 6.248 810 HD13 LEU 106 3HD1 LEU 106 10.726 1.468 5.506 811 HD21 LEU 106 3HD2 LEU 106 8.654 4.162 2.904 812 HD22 LEU 106 1HD2 LEU 106 8.357 4.308 4.636 813 HD23 LEU 106 2HD2 LEU 106 7.784 2.897 3.747 814 H HIS 107 H HIS 107 12.371 7.066 4.467 815 HA HIS 107 HA HIS 107 14.884 6.575 5.780 816 HB2 HIS 107 1HB HIS 107 14.774 7.920 3.716 817 HB3 HIS 107 2HB HIS 107 13.742 9.109 4.501 818 HD1 HIS 107 HD1 HIS 107 17.310 7.907 4.383 819 HD2 HIS 107 HD2 HIS 107 15.100 11.025 6.042 820 HE1 HIS 107 HE1 HIS 107 19.002 9.526 5.278 821 HE2 HIS 107 HE2 HIS 107 17.643 11.280 6.448 822 H ALA 108 H ALA 108 11.886 7.975 6.694 823 HA ALA 108 HA ALA 108 10.984 8.853 8.535 824 HB1 ALA 108 3HB ALA 108 12.316 7.283 9.896 825 HB2 ALA 108 1HB ALA 108 12.106 8.832 10.715 826 HB3 ALA 108 2HB ALA 108 13.647 8.439 9.948 827 H HIS 109 H HIS 109 10.650 10.768 7.519 828 HA HIS 109 HA HIS 109 12.394 13.071 8.219 829 HB2 HIS 109 1HB HIS 109 10.383 12.698 5.948 830 HB3 HIS 109 2HB HIS 109 11.055 14.257 6.389 831 HD1 HIS 109 HD1 HIS 109 11.448 12.127 3.809 832 HD2 HIS 109 HD2 HIS 109 14.179 13.719 6.486 833 HE1 HIS 109 HE1 HIS 109 13.651 12.074 2.623 834 HE2 HIS 109 HE2 HIS 109 15.231 13.255 4.175 835 HA PRO 110 HA PRO 110 8.857 14.679 10.654 836 HB2 PRO 110 1HB PRO 110 9.382 17.438 9.657 837 HB3 PRO 110 2HB PRO 110 9.469 16.811 11.307 838 HG2 PRO 110 1HG PRO 110 11.700 17.456 9.926 839 HG3 PRO 110 2HG PRO 110 11.674 16.086 11.059 840 HD2 PRO 110 1HD PRO 110 11.444 16.056 8.043 841 HD3 PRO 110 2HD PRO 110 12.418 15.013 9.109 842 H GLY 111 H GLY 111 7.524 13.479 9.019 843 HA2 GLY 111 1HA GLY 111 5.501 13.422 7.923 844 HA3 GLY 111 2HA GLY 111 5.465 15.176 7.923 845 H GLU 112 H GLU 112 6.888 16.254 6.324 846 HA GLU 112 HA GLU 112 6.223 15.190 3.731 847 HB2 GLU 112 1HB GLU 112 7.498 17.826 4.568 848 HB3 GLU 112 2HB GLU 112 6.980 17.448 2.923 849 HG2 GLU 112 1HG GLU 112 4.639 17.171 3.755 850 HG3 GLU 112 2HG GLU 112 5.184 17.627 5.370 851 HA PRO 113 HA PRO 113 10.274 13.677 2.279 852 HB2 PRO 113 1HB PRO 113 9.419 15.039 -0.281 853 HB3 PRO 113 2HB PRO 113 10.036 13.398 -0.035 854 HG2 PRO 113 1HG PRO 113 7.442 13.773 -0.445 855 HG3 PRO 113 2HG PRO 113 7.979 12.609 0.789 856 HD2 PRO 113 1HD PRO 113 6.929 15.413 1.158 857 HD3 PRO 113 2HD PRO 113 6.584 13.948 2.103 858 H VAL 114 H VAL 114 12.290 14.484 1.308 859 HA VAL 114 HA VAL 114 13.035 17.036 2.369 860 HB VAL 114 HB VAL 114 14.621 15.160 2.412 861 HG11 VAL 114 1HG1 VAL 114 14.086 14.033 0.304 862 HG12 VAL 114 2HG1 VAL 114 15.815 14.351 0.415 863 HG13 VAL 114 3HG1 VAL 114 14.796 15.361 -0.614 864 HG21 VAL 114 3HG2 VAL 114 16.664 16.358 1.712 865 HG22 VAL 114 1HG2 VAL 114 15.526 17.452 2.501 866 HG23 VAL 114 2HG2 VAL 114 15.694 17.471 0.746 867 H ASP 115 H ASP 115 13.041 18.965 1.393 868 HA ASP 115 HA ASP 115 11.758 19.180 -1.228 869 HB2 ASP 115 1HB ASP 115 12.269 21.224 0.977 870 HB3 ASP 115 2HB ASP 115 11.509 21.630 -0.556 871 H LEU 116 H LEU 116 14.709 18.549 -0.990 872 HA LEU 116 HA LEU 116 16.172 20.745 -2.021 873 HB2 LEU 116 1HB LEU 116 17.842 19.028 -2.759 874 HB3 LEU 116 2HB LEU 116 17.394 18.941 -1.073 875 HG LEU 116 HG LEU 116 15.808 16.987 -1.806 876 HD11 LEU 116 1HD1 LEU 116 15.941 17.235 -4.225 877 HD12 LEU 116 2HD1 LEU 116 16.548 15.658 -3.730 878 HD13 LEU 116 3HD1 LEU 116 17.681 16.934 -4.187 879 HD21 LEU 116 3HD2 LEU 116 17.608 15.340 -1.508 880 HD22 LEU 116 1HD2 LEU 116 17.787 16.686 -0.385 881 HD23 LEU 116 2HD2 LEU 116 18.819 16.586 -1.813 882 H GLU 117 H GLU 117 14.001 18.451 -3.487 883 HA GLU 117 HA GLU 117 14.660 19.254 -6.221 884 HB2 GLU 117 1HB GLU 117 13.185 17.380 -6.872 885 HB3 GLU 117 2HB GLU 117 14.461 16.866 -5.783 886 HG2 GLU 117 1HG GLU 117 12.853 16.869 -3.898 887 HG3 GLU 117 2HG GLU 117 11.569 17.364 -5.003 888 H ARG 118 H ARG 118 12.940 20.757 -3.970 889 HA ARG 118 HA ARG 118 10.321 21.031 -5.165 890 HB2 ARG 118 1HB ARG 118 10.896 21.231 -2.675 891 HB3 ARG 118 2HB ARG 118 11.538 22.826 -3.037 892 HG2 ARG 118 1HG ARG 118 9.281 23.539 -3.814 893 HG3 ARG 118 2HG ARG 118 8.655 21.933 -3.429 894 HD2 ARG 118 1HD ARG 118 9.367 22.305 -1.045 895 HD3 ARG 118 2HD ARG 118 9.798 23.962 -1.479 896 HE ARG 118 HE ARG 118 7.204 23.767 -2.266 897 HH11 ARG 118 1HH1 ARG 118 8.815 23.101 0.789 898 HH12 ARG 118 2HH1 ARG 118 7.409 23.437 1.742 899 HH21 ARG 118 1HH2 ARG 118 5.373 24.213 -1.006 900 HH22 ARG 118 2HH2 ARG 118 5.458 24.084 0.723 901 H ILE 119 H ILE 119 13.315 22.340 -5.856 902 HA ILE 119 HA ILE 119 12.641 24.927 -6.837 903 HB ILE 119 HB ILE 119 15.037 23.086 -7.275 904 HG12 ILE 119 1HG1 ILE 119 16.261 24.964 -6.044 905 HG13 ILE 119 2HG1 ILE 119 14.707 25.744 -5.792 906 HG21 ILE 119 1HG2 ILE 119 14.813 24.314 -9.373 907 HG22 ILE 119 2HG2 ILE 119 16.201 24.931 -8.477 908 HG23 ILE 119 3HG2 ILE 119 14.692 25.846 -8.506 909 HD11 ILE 119 3HD1 ILE 119 15.558 23.069 -4.688 910 HD12 ILE 119 1HD1 ILE 119 13.991 23.838 -4.426 911 HD13 ILE 119 2HD1 ILE 119 15.458 24.590 -3.801 912 H ILE 120 H ILE 120 12.818 21.680 -8.282 913 HA ILE 120 HA ILE 120 11.530 22.692 -10.764 914 HB ILE 120 HB ILE 120 13.055 20.061 -10.443 915 HG12 ILE 120 1HG1 ILE 120 14.025 22.632 -11.793 916 HG13 ILE 120 2HG1 ILE 120 14.605 22.024 -10.247 917 HG21 ILE 120 1HG2 ILE 120 12.942 19.941 -12.918 918 HG22 ILE 120 2HG2 ILE 120 11.999 21.432 -12.954 919 HG23 ILE 120 3HG2 ILE 120 11.330 19.983 -12.201 920 HD11 ILE 120 3HD1 ILE 120 16.170 21.548 -12.032 921 HD12 ILE 120 1HD1 ILE 120 14.937 20.659 -12.921 922 HD13 ILE 120 2HD1 ILE 120 15.524 20.047 -11.370 923 H ARG 121 H ARG 121 9.451 22.655 -9.838 924 HA ARG 121 HA ARG 121 8.224 19.949 -9.594 925 HB2 ARG 121 1HB ARG 121 7.263 22.527 -8.259 926 HB3 ARG 121 2HB ARG 121 6.481 20.954 -8.139 927 HG2 ARG 121 1HG ARG 121 9.222 21.670 -7.054 928 HG3 ARG 121 2HG ARG 121 7.742 21.507 -6.103 929 HD2 ARG 121 1HD ARG 121 8.965 19.238 -7.722 930 HD3 ARG 121 2HD ARG 121 9.318 19.522 -6.018 931 HE ARG 121 HE ARG 121 6.688 19.345 -5.892 932 HH11 ARG 121 1HH1 ARG 121 8.775 17.349 -7.886 933 HH12 ARG 121 2HH1 ARG 121 7.875 15.901 -7.585 934 HH21 ARG 121 1HH2 ARG 121 5.513 17.433 -5.531 935 HH22 ARG 121 2HH2 ARG 121 6.027 15.952 -6.269 936 H HIS 122 H HIS 122 5.609 20.505 -9.969 937 HA HIS 122 HA HIS 122 5.408 22.190 -12.394 938 HB2 HIS 122 1HB HIS 122 5.292 19.635 -12.788 939 HB3 HIS 122 2HB HIS 122 3.733 19.683 -11.975 940 HD1 HIS 122 HD1 HIS 122 1.872 19.783 -13.640 941 HD2 HIS 122 HD2 HIS 122 5.261 21.754 -15.017 942 HE1 HIS 122 HE1 HIS 122 1.268 20.665 -15.907 943 HE2 HIS 122 HE2 HIS 122 3.361 21.760 -16.767 944 H GLU 123 H GLU 123 3.874 23.677 -12.329 945 HA GLU 123 HA GLU 123 2.570 24.215 -9.801 946 HB2 GLU 123 1HB GLU 123 1.829 26.381 -11.256 947 HB3 GLU 123 2HB GLU 123 3.401 26.228 -10.502 948 HG2 GLU 123 1HG GLU 123 3.570 27.122 -12.772 949 HG3 GLU 123 2HG GLU 123 4.429 25.593 -12.604 950 H GLY 124 H GLY 124 1.518 23.280 -13.027 951 HA2 GLY 124 1HA GLY 124 -1.331 23.532 -12.315 952 HA3 GLY 124 2HA GLY 124 -0.669 23.195 -13.907 953 H SER 125 H SER 125 -2.381 21.797 -11.494 954 HA SER 125 HA SER 125 -1.681 19.085 -12.395 955 HB2 SER 125 1HB SER 125 -2.038 19.899 -9.478 956 HB3 SER 125 2HB SER 125 -1.904 18.234 -10.050 957 HG SER 125 HG SER 125 0.135 19.338 -11.107 Start of MODEL 19 1 H1 GLN 1 1H GLN 1 -15.470 7.084 -6.939 2 H2 GLN 1 2H GLN 1 -16.853 7.960 -7.346 3 H3 GLN 1 3H GLN 1 -15.410 8.771 -7.005 4 HA GLN 1 HA GLN 1 -15.886 6.953 -9.290 5 HB2 GLN 1 1HB GLN 1 -17.095 9.106 -9.503 6 HB3 GLN 1 2HB GLN 1 -15.607 9.992 -9.181 7 HG2 GLN 1 1HG GLN 1 -14.648 8.957 -11.290 8 HG3 GLN 1 2HG GLN 1 -16.252 8.309 -11.620 9 HE21 GLN 1 2HE2 GLN 1 -14.304 11.189 -11.452 10 HE22 GLN 1 1HE2 GLN 1 -15.406 12.233 -12.275 11 H GLY 2 H GLY 2 -14.029 6.016 -9.990 12 HA2 GLY 2 1HA GLY 2 -11.926 5.843 -10.867 13 HA3 GLY 2 2HA GLY 2 -11.683 7.554 -10.569 14 H HIS 3 H HIS 3 -10.923 8.216 -8.485 15 HA HIS 3 HA HIS 3 -9.833 6.260 -6.618 16 HB2 HIS 3 1HB HIS 3 -7.480 7.038 -6.880 17 HB3 HIS 3 2HB HIS 3 -8.074 6.294 -8.362 18 HD1 HIS 3 HD1 HIS 3 -7.326 9.720 -6.913 19 HD2 HIS 3 HD2 HIS 3 -7.965 7.936 -10.606 20 HE1 HIS 3 HE1 HIS 3 -6.865 11.502 -8.602 21 HE2 HIS 3 HE2 HIS 3 -7.451 10.456 -10.806 22 H MET 4 H MET 4 -8.693 7.380 -4.792 23 HA MET 4 HA MET 4 -9.010 10.217 -4.413 24 HB2 MET 4 1HB MET 4 -11.352 9.412 -3.974 25 HB3 MET 4 2HB MET 4 -10.740 8.356 -2.710 26 HG2 MET 4 1HG MET 4 -10.002 10.323 -1.421 27 HG3 MET 4 2HG MET 4 -10.600 11.384 -2.696 28 HE1 MET 4 3HE MET 4 -13.315 8.750 -0.035 29 HE2 MET 4 1HE MET 4 -11.563 8.831 0.132 30 HE3 MET 4 2HE MET 4 -12.279 8.064 -1.287 31 H PHE 5 H PHE 5 -7.037 10.594 -3.544 32 HA PHE 5 HA PHE 5 -5.867 8.649 -1.638 33 HB2 PHE 5 1HB PHE 5 -4.533 9.004 -3.657 34 HB3 PHE 5 2HB PHE 5 -4.535 10.743 -3.407 35 HD1 PHE 5 HD1 PHE 5 -3.401 7.533 -1.846 36 HD2 PHE 5 HD2 PHE 5 -2.781 11.758 -2.163 37 HE1 PHE 5 HE1 PHE 5 -1.341 7.342 -0.520 38 HE2 PHE 5 HE2 PHE 5 -0.726 11.551 -0.842 39 HZ PHE 5 HZ PHE 5 -0.004 9.348 -0.019 40 H GLU 6 H GLU 6 -5.226 9.226 0.321 41 HA GLU 6 HA GLU 6 -4.964 12.025 1.166 42 HB2 GLU 6 1HB GLU 6 -6.102 11.510 3.323 43 HB3 GLU 6 2HB GLU 6 -7.197 11.308 1.959 44 HG2 GLU 6 1HG GLU 6 -6.870 8.859 2.054 45 HG3 GLU 6 2HG GLU 6 -5.778 9.057 3.422 46 HA PRO 7 HA PRO 7 -1.095 10.455 2.845 47 HB2 PRO 7 1HB PRO 7 -1.489 12.116 5.312 48 HB3 PRO 7 2HB PRO 7 -0.173 12.153 4.129 49 HG2 PRO 7 1HG PRO 7 -2.014 14.109 4.193 50 HG3 PRO 7 2HG PRO 7 -1.362 13.520 2.646 51 HD2 PRO 7 1HD PRO 7 -4.004 12.866 3.965 52 HD3 PRO 7 2HD PRO 7 -3.655 13.229 2.257 53 H GLY 8 H GLY 8 -1.494 8.286 3.325 54 HA2 GLY 8 1HA GLY 8 -1.168 6.811 5.299 55 HA3 GLY 8 2HA GLY 8 -2.559 7.596 6.024 56 H HIS 9 H HIS 9 -3.664 7.512 3.037 57 HA HIS 9 HA HIS 9 -4.470 4.731 2.802 58 HB2 HIS 9 1HB HIS 9 -5.817 5.571 4.743 59 HB3 HIS 9 2HB HIS 9 -6.515 6.805 3.708 60 HD1 HIS 9 HD1 HIS 9 -8.795 6.193 3.015 61 HD2 HIS 9 HD2 HIS 9 -6.415 2.826 3.477 62 HE1 HIS 9 HE1 HIS 9 -10.283 4.237 2.574 63 HE2 HIS 9 HE2 HIS 9 -8.903 2.243 3.211 64 H LEU 10 H LEU 10 -5.690 4.284 0.896 65 HA LEU 10 HA LEU 10 -6.165 6.452 -1.038 66 HB2 LEU 10 1HB LEU 10 -4.005 5.467 -1.651 67 HB3 LEU 10 2HB LEU 10 -4.651 3.842 -1.496 68 HG LEU 10 HG LEU 10 -6.108 4.243 -3.500 69 HD11 LEU 10 1HD1 LEU 10 -5.720 6.195 -4.950 70 HD12 LEU 10 2HD1 LEU 10 -4.648 6.894 -3.735 71 HD13 LEU 10 3HD1 LEU 10 -6.362 6.670 -3.379 72 HD21 LEU 10 3HD2 LEU 10 -3.160 4.738 -4.040 73 HD22 LEU 10 1HD2 LEU 10 -4.346 4.104 -5.185 74 HD23 LEU 10 2HD2 LEU 10 -3.903 3.162 -3.763 75 H HIS 11 H HIS 11 -7.925 6.020 -2.424 76 HA HIS 11 HA HIS 11 -9.464 3.516 -2.004 77 HB2 HIS 11 1HB HIS 11 -10.440 5.724 -1.042 78 HB3 HIS 11 2HB HIS 11 -10.688 6.223 -2.705 79 HD1 HIS 11 HD1 HIS 11 -12.730 5.298 -0.185 80 HD2 HIS 11 HD2 HIS 11 -12.174 3.573 -3.928 81 HE1 HIS 11 HE1 HIS 11 -14.838 4.042 -0.682 82 HE2 HIS 11 HE2 HIS 11 -14.524 3.121 -2.995 83 H LEU 12 H LEU 12 -10.157 2.491 -3.830 84 HA LEU 12 HA LEU 12 -9.691 3.601 -6.534 85 HB2 LEU 12 1HB LEU 12 -9.392 0.679 -5.675 86 HB3 LEU 12 2HB LEU 12 -9.176 1.302 -7.301 87 HG LEU 12 HG LEU 12 -7.354 1.909 -4.934 88 HD11 LEU 12 1HD1 LEU 12 -7.147 -0.445 -5.677 89 HD12 LEU 12 2HD1 LEU 12 -5.696 0.469 -6.078 90 HD13 LEU 12 3HD1 LEU 12 -6.873 0.092 -7.337 91 HD21 LEU 12 3HD2 LEU 12 -5.846 2.946 -6.604 92 HD22 LEU 12 1HD2 LEU 12 -7.395 3.789 -6.523 93 HD23 LEU 12 2HD2 LEU 12 -7.056 2.688 -7.863 94 H VAL 13 H VAL 13 -11.596 3.537 -7.755 95 HA VAL 13 HA VAL 13 -13.744 1.712 -7.036 96 HB VAL 13 HB VAL 13 -14.241 3.367 -5.398 97 HG11 VAL 13 1HG1 VAL 13 -14.551 5.774 -5.872 98 HG12 VAL 13 2HG1 VAL 13 -14.053 5.508 -7.542 99 HG13 VAL 13 3HG1 VAL 13 -12.904 5.237 -6.231 100 HG21 VAL 13 3HG2 VAL 13 -16.498 4.151 -6.038 101 HG22 VAL 13 1HG2 VAL 13 -16.221 2.498 -6.602 102 HG23 VAL 13 2HG2 VAL 13 -16.138 3.844 -7.737 103 H SER 14 H SER 14 -13.368 0.975 -9.057 104 HA SER 14 HA SER 14 -14.354 2.285 -11.433 105 HB2 SER 14 1HB SER 14 -13.034 0.262 -11.714 106 HB3 SER 14 2HB SER 14 -14.210 -0.696 -10.816 107 HG SER 14 HG SER 14 -15.636 -0.490 -12.465 108 H LEU 15 H LEU 15 -16.302 3.168 -11.393 109 HA LEU 15 HA LEU 15 -18.501 2.126 -9.870 110 HB2 LEU 15 1HB LEU 15 -19.789 4.028 -11.091 111 HB3 LEU 15 2HB LEU 15 -18.572 4.430 -9.902 112 HG LEU 15 HG LEU 15 -16.966 4.932 -11.794 113 HD11 LEU 15 1HD1 LEU 15 -17.955 3.676 -13.629 114 HD12 LEU 15 2HD1 LEU 15 -17.846 5.381 -14.049 115 HD13 LEU 15 3HD1 LEU 15 -19.402 4.686 -13.585 116 HD21 LEU 15 3HD2 LEU 15 -18.146 6.710 -10.605 117 HD22 LEU 15 1HD2 LEU 15 -19.516 6.576 -11.713 118 HD23 LEU 15 2HD2 LEU 15 -17.944 7.133 -12.302 119 HA PRO 16 HA PRO 16 -20.330 -0.156 -13.354 120 HB2 PRO 16 1HB PRO 16 -22.400 -1.306 -12.057 121 HB3 PRO 16 2HB PRO 16 -20.729 -1.815 -11.760 122 HG2 PRO 16 1HG PRO 16 -22.515 -0.083 -10.083 123 HG3 PRO 16 2HG PRO 16 -21.284 -1.252 -9.570 124 HD2 PRO 16 1HD PRO 16 -20.961 1.563 -9.740 125 HD3 PRO 16 2HD PRO 16 -19.662 0.368 -9.534 126 H GLY 17 H GLY 17 -23.394 0.566 -11.710 127 HA2 GLY 17 1HA GLY 17 -25.189 1.873 -12.276 128 HA3 GLY 17 2HA GLY 17 -24.090 2.928 -13.152 129 H LEU 18 H LEU 18 -24.182 2.891 -15.355 130 HA LEU 18 HA LEU 18 -25.947 1.102 -16.799 131 HB2 LEU 18 1HB LEU 18 -23.977 3.194 -17.814 132 HB3 LEU 18 2HB LEU 18 -25.141 2.340 -18.817 133 HG LEU 18 HG LEU 18 -25.802 4.325 -16.602 134 HD11 LEU 18 1HD1 LEU 18 -26.660 5.741 -18.431 135 HD12 LEU 18 2HD1 LEU 18 -26.111 4.552 -19.616 136 HD13 LEU 18 3HD1 LEU 18 -24.939 5.412 -18.615 137 HD21 LEU 18 3HD2 LEU 18 -28.166 4.081 -17.316 138 HD22 LEU 18 1HD2 LEU 18 -27.521 2.580 -16.658 139 HD23 LEU 18 2HD2 LEU 18 -27.701 2.771 -18.404 140 H ASP 19 H ASP 19 -22.566 1.349 -16.078 141 HA ASP 19 HA ASP 19 -21.712 -0.781 -17.871 142 HB2 ASP 19 1HB ASP 19 -20.249 1.178 -17.286 143 HB3 ASP 19 2HB ASP 19 -20.238 0.650 -15.608 144 H GLN 20 H GLN 20 -20.591 -2.736 -16.861 145 HA GLN 20 HA GLN 20 -22.283 -3.817 -14.700 146 HB2 GLN 20 1HB GLN 20 -20.537 -5.207 -16.765 147 HB3 GLN 20 2HB GLN 20 -21.442 -6.049 -15.506 148 HG2 GLN 20 1HG GLN 20 -22.633 -4.360 -17.733 149 HG3 GLN 20 2HG GLN 20 -22.608 -6.122 -17.665 150 HE21 GLN 20 2HE2 GLN 20 -24.874 -4.279 -17.822 151 HE22 GLN 20 1HE2 GLN 20 -25.888 -4.652 -16.476 152 H GLN 21 H GLN 21 -18.917 -3.160 -15.511 153 HA GLN 21 HA GLN 21 -17.901 -4.914 -13.472 154 HB2 GLN 21 1HB GLN 21 -16.630 -4.605 -15.536 155 HB3 GLN 21 2HB GLN 21 -16.321 -2.927 -15.097 156 HG2 GLN 21 1HG GLN 21 -14.410 -4.451 -14.554 157 HG3 GLN 21 2HG GLN 21 -15.052 -3.586 -13.152 158 HE21 GLN 21 2HE2 GLN 21 -14.638 -4.992 -11.538 159 HE22 GLN 21 1HE2 GLN 21 -15.191 -6.615 -11.457 160 H ASP 22 H ASP 22 -18.252 -4.415 -11.572 161 HA ASP 22 HA ASP 22 -17.667 -1.860 -10.280 162 HB2 ASP 22 1HB ASP 22 -19.792 -2.940 -9.782 163 HB3 ASP 22 2HB ASP 22 -19.002 -4.466 -9.417 164 H ILE 23 H ILE 23 -15.475 -1.656 -9.874 165 HA ILE 23 HA ILE 23 -14.375 -3.668 -7.959 166 HB ILE 23 HB ILE 23 -12.164 -3.484 -8.639 167 HG12 ILE 23 1HG1 ILE 23 -11.374 -1.409 -10.191 168 HG13 ILE 23 2HG1 ILE 23 -12.707 -0.606 -9.388 169 HG21 ILE 23 1HG2 ILE 23 -13.391 -4.353 -10.549 170 HG22 ILE 23 2HG2 ILE 23 -11.976 -3.454 -11.093 171 HG23 ILE 23 3HG2 ILE 23 -13.580 -2.725 -11.206 172 HD11 ILE 23 3HD1 ILE 23 -11.619 -1.053 -7.221 173 HD12 ILE 23 1HD1 ILE 23 -10.628 -0.093 -8.320 174 HD13 ILE 23 2HD1 ILE 23 -10.275 -1.803 -8.085 175 H ASN 24 H ASN 24 -14.034 -3.021 -5.976 176 HA ASN 24 HA ASN 24 -13.651 -0.164 -5.320 177 HB2 ASN 24 1HB ASN 24 -15.622 -1.964 -3.834 178 HB3 ASN 24 2HB ASN 24 -15.167 -0.330 -3.371 179 HD21 ASN 24 2HD2 ASN 24 -16.913 -2.244 -5.716 180 HD22 ASN 24 1HD2 ASN 24 -17.856 -0.939 -6.347 181 H ILE 25 H ILE 25 -11.925 0.040 -4.044 182 HA ILE 25 HA ILE 25 -10.856 -2.152 -2.450 183 HB ILE 25 HB ILE 25 -9.194 -0.865 -4.694 184 HG12 ILE 25 1HG1 ILE 25 -10.274 -3.722 -4.570 185 HG13 ILE 25 2HG1 ILE 25 -10.839 -2.457 -5.658 186 HG21 ILE 25 1HG2 ILE 25 -8.462 -3.122 -2.782 187 HG22 ILE 25 2HG2 ILE 25 -7.845 -1.471 -2.716 188 HG23 ILE 25 3HG2 ILE 25 -7.440 -2.505 -4.085 189 HD11 ILE 25 3HD1 ILE 25 -8.108 -3.735 -5.661 190 HD12 ILE 25 1HD1 ILE 25 -8.621 -2.421 -6.725 191 HD13 ILE 25 2HD1 ILE 25 -9.410 -3.995 -6.819 192 H HIS 26 H HIS 26 -9.381 -1.345 -0.901 193 HA HIS 26 HA HIS 26 -8.777 1.566 -0.856 194 HB2 HIS 26 1HB HIS 26 -9.192 -0.183 1.610 195 HB3 HIS 26 2HB HIS 26 -8.954 1.558 1.567 196 HD1 HIS 26 HD1 HIS 26 -11.334 -0.063 2.913 197 HD2 HIS 26 HD2 HIS 26 -11.515 2.055 -0.649 198 HE1 HIS 26 HE1 HIS 26 -13.746 0.489 2.593 199 HE2 HIS 26 HE2 HIS 26 -13.856 1.649 0.373 200 H ILE 27 H ILE 27 -6.594 2.015 -0.257 201 HA ILE 27 HA ILE 27 -4.866 -0.289 0.434 202 HB ILE 27 HB ILE 27 -4.063 2.077 -1.336 203 HG12 ILE 27 1HG1 ILE 27 -4.402 -0.886 -2.058 204 HG13 ILE 27 2HG1 ILE 27 -5.449 0.427 -2.586 205 HG21 ILE 27 1HG2 ILE 27 -1.857 0.950 -1.559 206 HG22 ILE 27 2HG2 ILE 27 -2.376 -0.306 -0.432 207 HG23 ILE 27 3HG2 ILE 27 -2.195 1.359 0.124 208 HD11 ILE 27 3HD1 ILE 27 -3.955 -0.282 -4.357 209 HD12 ILE 27 1HD1 ILE 27 -2.549 0.055 -3.347 210 HD13 ILE 27 2HD1 ILE 27 -3.594 1.375 -3.881 211 H ARG 28 H ARG 28 -4.606 0.034 2.518 212 HA ARG 28 HA ARG 28 -4.024 2.670 3.684 213 HB2 ARG 28 1HB ARG 28 -5.721 1.312 4.818 214 HB3 ARG 28 2HB ARG 28 -4.622 -0.054 4.920 215 HG2 ARG 28 1HG ARG 28 -3.219 1.142 6.534 216 HG3 ARG 28 2HG ARG 28 -4.228 2.585 6.376 217 HD2 ARG 28 1HD ARG 28 -6.170 1.314 7.256 218 HD3 ARG 28 2HD ARG 28 -5.151 -0.118 7.426 219 HE ARG 28 HE ARG 28 -3.790 1.392 8.985 220 HH11 ARG 28 1HH1 ARG 28 -7.287 1.570 8.720 221 HH12 ARG 28 2HH1 ARG 28 -7.499 2.127 10.348 222 HH21 ARG 28 1HH2 ARG 28 -4.094 2.133 11.111 223 HH22 ARG 28 2HH2 ARG 28 -5.699 2.424 11.705 224 H TYR 29 H TYR 29 -1.988 3.180 4.254 225 HA TYR 29 HA TYR 29 0.039 1.060 4.587 226 HB2 TYR 29 1HB TYR 29 1.702 2.350 3.314 227 HB3 TYR 29 2HB TYR 29 0.324 1.980 2.288 228 HD1 TYR 29 HD2 TYR 29 -1.351 3.838 1.736 229 HD2 TYR 29 HD1 TYR 29 2.355 4.632 3.721 230 HE1 TYR 29 HE2 TYR 29 -1.573 6.228 1.211 231 HE2 TYR 29 HE1 TYR 29 2.121 7.012 3.202 232 HH TYR 29 HH TYR 29 0.954 8.438 1.568 233 H GLU 30 H GLU 30 0.985 1.305 6.490 234 HA GLU 30 HA GLU 30 1.151 3.970 7.768 235 HB2 GLU 30 1HB GLU 30 0.556 1.329 9.190 236 HB3 GLU 30 2HB GLU 30 0.786 2.897 9.970 237 HG2 GLU 30 1HG GLU 30 -1.232 3.748 8.765 238 HG3 GLU 30 2HG GLU 30 -1.486 2.136 8.101 239 H VAL 31 H VAL 31 3.243 4.498 7.960 240 HA VAL 31 HA VAL 31 5.299 2.417 7.754 241 HB VAL 31 HB VAL 31 5.646 5.456 7.905 242 HG11 VAL 31 1HG1 VAL 31 7.624 3.297 7.059 243 HG12 VAL 31 2HG1 VAL 31 7.680 4.216 8.565 244 HG13 VAL 31 3HG1 VAL 31 7.921 5.039 7.023 245 HG21 VAL 31 3HG2 VAL 31 5.572 3.673 5.436 246 HG22 VAL 31 1HG2 VAL 31 5.976 5.391 5.444 247 HG23 VAL 31 2HG2 VAL 31 4.355 4.864 5.894 248 H ARG 32 H ARG 32 5.929 1.527 9.578 249 HA ARG 32 HA ARG 32 6.041 3.079 12.101 250 HB2 ARG 32 1HB ARG 32 4.131 1.396 12.041 251 HB3 ARG 32 2HB ARG 32 5.327 0.121 11.836 252 HG2 ARG 32 1HG ARG 32 6.348 0.935 14.056 253 HG3 ARG 32 2HG ARG 32 4.886 1.898 14.250 254 HD2 ARG 32 1HD ARG 32 3.553 -0.227 14.061 255 HD3 ARG 32 2HD ARG 32 5.091 -1.101 14.024 256 HE ARG 32 HE ARG 32 5.355 -0.763 16.268 257 HH11 ARG 32 1HH1 ARG 32 2.687 1.278 15.222 258 HH12 ARG 32 2HH1 ARG 32 2.186 1.652 16.839 259 HH21 ARG 32 1HH2 ARG 32 4.673 -0.242 18.386 260 HH22 ARG 32 2HH2 ARG 32 3.305 0.799 18.617 261 H GLN 33 H GLN 33 7.650 2.088 13.633 262 HA GLN 33 HA GLN 33 9.941 0.918 12.202 263 HB2 GLN 33 1HB GLN 33 10.070 2.586 14.748 264 HB3 GLN 33 2HB GLN 33 11.419 2.086 13.741 265 HG2 GLN 33 1HG GLN 33 9.280 4.103 12.983 266 HG3 GLN 33 2HG GLN 33 10.913 4.488 13.511 267 HE21 GLN 33 2HE2 GLN 33 8.931 3.541 10.851 268 HE22 GLN 33 1HE2 GLN 33 10.161 3.570 9.644 269 H ASN 34 H ASN 34 9.952 -1.201 12.664 270 HA ASN 34 HA ASN 34 9.371 -2.189 15.375 271 HB2 ASN 34 1HB ASN 34 9.390 -4.440 14.466 272 HB3 ASN 34 2HB ASN 34 8.353 -3.441 13.472 273 HD21 ASN 34 2HD2 ASN 34 10.887 -2.382 12.038 274 HD22 ASN 34 1HD2 ASN 34 11.250 -3.647 10.943 275 H ALA 35 H ALA 35 10.930 -3.198 16.653 276 HA ALA 35 HA ALA 35 13.636 -2.348 16.396 277 HB1 ALA 35 3HB ALA 35 14.027 -3.666 18.436 278 HB2 ALA 35 1HB ALA 35 12.450 -4.444 18.251 279 HB3 ALA 35 2HB ALA 35 12.550 -2.712 18.579 280 H GLU 36 H GLU 36 11.932 -5.037 15.178 281 HA GLU 36 HA GLU 36 13.948 -7.007 14.974 282 HB2 GLU 36 1HB GLU 36 11.555 -7.517 14.906 283 HB3 GLU 36 2HB GLU 36 11.361 -6.567 13.441 284 HG2 GLU 36 1HG GLU 36 12.767 -8.186 12.208 285 HG3 GLU 36 2HG GLU 36 12.940 -9.146 13.676 286 H SER 37 H SER 37 12.711 -4.648 12.542 287 HA SER 37 HA SER 37 15.044 -5.262 10.796 288 HB2 SER 37 1HB SER 37 12.936 -6.257 9.929 289 HB3 SER 37 2HB SER 37 12.189 -4.663 9.910 290 HG SER 37 HG SER 37 13.999 -5.801 8.164 291 H GLY 38 H GLY 38 13.331 -2.830 12.447 292 HA2 GLY 38 1HA GLY 38 14.030 -0.587 12.662 293 HA3 GLY 38 2HA GLY 38 14.801 -0.674 11.080 294 H ALA 39 H ALA 39 13.777 0.710 9.767 295 HA ALA 39 HA ALA 39 11.039 1.467 9.927 296 HB1 ALA 39 3HB ALA 39 12.951 1.730 7.570 297 HB2 ALA 39 1HB ALA 39 12.744 2.902 8.873 298 HB3 ALA 39 2HB ALA 39 11.414 2.580 7.759 299 H TYR 40 H TYR 40 9.243 0.520 9.107 300 HA TYR 40 HA TYR 40 9.328 -0.990 6.611 301 HB2 TYR 40 1HB TYR 40 8.303 -3.005 7.366 302 HB3 TYR 40 2HB TYR 40 9.585 -2.715 8.530 303 HD1 TYR 40 HD1 TYR 40 8.854 -1.485 10.761 304 HD2 TYR 40 HD2 TYR 40 6.094 -3.496 8.166 305 HE1 TYR 40 HE1 TYR 40 7.250 -1.681 12.601 306 HE2 TYR 40 HE2 TYR 40 4.497 -3.678 10.020 307 HH TYR 40 HH TYR 40 4.521 -3.689 12.471 308 H VAL 41 H VAL 41 7.000 -1.529 5.938 309 HA VAL 41 HA VAL 41 5.068 0.466 6.957 310 HB VAL 41 HB VAL 41 5.138 -0.355 4.023 311 HG11 VAL 41 1HG1 VAL 41 3.819 1.723 3.705 312 HG12 VAL 41 2HG1 VAL 41 3.887 2.029 5.442 313 HG13 VAL 41 3HG1 VAL 41 3.036 0.611 4.829 314 HG21 VAL 41 3HG2 VAL 41 6.306 1.760 3.460 315 HG22 VAL 41 1HG2 VAL 41 7.322 0.687 4.429 316 HG23 VAL 41 2HG2 VAL 41 6.546 2.080 5.180 317 H HIS 42 H HIS 42 3.353 -0.562 7.769 318 HA HIS 42 HA HIS 42 2.604 -3.273 6.969 319 HB2 HIS 42 1HB HIS 42 2.580 -2.739 9.370 320 HB3 HIS 42 2HB HIS 42 1.502 -1.376 9.101 321 HD1 HIS 42 HD1 HIS 42 1.484 -4.965 9.855 322 HD2 HIS 42 HD2 HIS 42 -1.204 -2.189 8.351 323 HE1 HIS 42 HE1 HIS 42 -0.772 -6.054 10.008 324 HE2 HIS 42 HE2 HIS 42 -2.380 -4.337 9.129 325 H PHE 43 H PHE 43 1.168 -3.556 5.304 326 HA PHE 43 HA PHE 43 -0.625 -1.358 4.516 327 HB2 PHE 43 1HB PHE 43 0.210 -3.817 2.904 328 HB3 PHE 43 2HB PHE 43 -0.710 -2.436 2.312 329 HD1 PHE 43 HD1 PHE 43 0.417 -0.255 1.912 330 HD2 PHE 43 HD2 PHE 43 2.645 -3.698 3.131 331 HE1 PHE 43 HE1 PHE 43 2.512 0.823 1.209 332 HE2 PHE 43 HE2 PHE 43 4.719 -2.606 2.442 333 HZ PHE 43 HZ PHE 43 4.658 -0.348 1.474 334 H ASP 44 H ASP 44 -2.798 -1.636 4.596 335 HA ASP 44 HA ASP 44 -3.984 -4.363 4.802 336 HB2 ASP 44 1HB ASP 44 -5.102 -1.800 6.051 337 HB3 ASP 44 2HB ASP 44 -5.876 -3.378 6.092 338 H MET 45 H MET 45 -5.192 -4.764 2.971 339 HA MET 45 HA MET 45 -6.445 -2.482 1.549 340 HB2 MET 45 1HB MET 45 -5.266 -5.065 0.429 341 HB3 MET 45 2HB MET 45 -6.286 -3.982 -0.514 342 HG2 MET 45 1HG MET 45 -4.641 -2.159 -0.173 343 HG3 MET 45 2HG MET 45 -3.606 -3.274 0.716 344 HE1 MET 45 3HE MET 45 -4.602 -3.987 -3.748 345 HE2 MET 45 1HE MET 45 -5.330 -2.661 -2.839 346 HE3 MET 45 2HE MET 45 -5.722 -4.334 -2.430 347 H ASP 46 H ASP 46 -8.603 -2.542 1.271 348 HA ASP 46 HA ASP 46 -10.168 -4.992 1.529 349 HB2 ASP 46 1HB ASP 46 -11.460 -4.308 3.471 350 HB3 ASP 46 2HB ASP 46 -9.760 -4.226 3.915 351 H GLY 47 H GLY 47 -12.437 -4.660 0.991 352 HA2 GLY 47 1HA GLY 47 -13.842 -2.333 0.544 353 HA3 GLY 47 2HA GLY 47 -12.959 -2.598 -0.961 354 H GLU 48 H GLU 48 -14.910 -3.061 -2.176 355 HA GLU 48 HA GLU 48 -15.567 -5.883 -1.938 356 HB2 GLU 48 1HB GLU 48 -18.014 -5.497 -2.207 357 HB3 GLU 48 2HB GLU 48 -17.386 -5.036 -0.635 358 HG2 GLU 48 1HG GLU 48 -17.910 -3.013 -2.833 359 HG3 GLU 48 2HG GLU 48 -19.149 -3.507 -1.688 360 H ILE 49 H ILE 49 -14.715 -6.402 -3.786 361 HA ILE 49 HA ILE 49 -15.458 -5.157 -6.330 362 HB ILE 49 HB ILE 49 -13.696 -7.610 -5.842 363 HG12 ILE 49 1HG1 ILE 49 -12.882 -4.714 -6.422 364 HG13 ILE 49 2HG1 ILE 49 -12.738 -5.524 -4.866 365 HG21 ILE 49 1HG2 ILE 49 -12.899 -7.298 -8.178 366 HG22 ILE 49 2HG2 ILE 49 -14.058 -5.986 -8.408 367 HG23 ILE 49 3HG2 ILE 49 -14.629 -7.632 -8.131 368 HD11 ILE 49 3HD1 ILE 49 -10.604 -5.428 -5.966 369 HD12 ILE 49 1HD1 ILE 49 -11.251 -6.234 -7.392 370 HD13 ILE 49 2HD1 ILE 49 -11.130 -7.106 -5.862 371 H ASP 50 H ASP 50 -17.104 -5.743 -7.552 372 HA ASP 50 HA ASP 50 -18.724 -6.894 -8.632 373 HB2 ASP 50 1HB ASP 50 -16.802 -8.525 -9.066 374 HB3 ASP 50 2HB ASP 50 -17.343 -9.452 -7.676 375 H GLY 51 H GLY 51 -18.764 -6.249 -5.678 376 HA2 GLY 51 1HA GLY 51 -20.608 -6.268 -4.208 377 HA3 GLY 51 2HA GLY 51 -21.122 -7.817 -4.852 378 H LYS 52 H LYS 52 -17.997 -8.450 -4.541 379 HA LYS 52 HA LYS 52 -18.386 -9.922 -2.111 380 HB2 LYS 52 1HB LYS 52 -16.019 -9.830 -3.991 381 HB3 LYS 52 2HB LYS 52 -16.238 -10.994 -2.685 382 HG2 LYS 52 1HG LYS 52 -18.228 -11.915 -3.829 383 HG3 LYS 52 2HG LYS 52 -18.009 -10.746 -5.140 384 HD2 LYS 52 1HD LYS 52 -15.790 -11.726 -5.640 385 HD3 LYS 52 2HD LYS 52 -16.004 -12.893 -4.334 386 HE2 LYS 52 1HE LYS 52 -17.922 -13.882 -5.522 387 HE3 LYS 52 2HE LYS 52 -17.741 -12.697 -6.820 388 HZ1 LYS 52 3HZ LYS 52 -16.736 -14.803 -7.399 389 HZ2 LYS 52 1HZ LYS 52 -15.729 -14.738 -6.044 390 HZ3 LYS 52 2HZ LYS 52 -15.557 -13.606 -7.290 391 HA PRO 53 HA PRO 53 -16.079 -6.769 0.287 392 HB2 PRO 53 1HB PRO 53 -16.739 -7.698 2.772 393 HB3 PRO 53 2HB PRO 53 -17.853 -6.721 1.806 394 HG2 PRO 53 1HG PRO 53 -17.776 -9.718 2.152 395 HG3 PRO 53 2HG PRO 53 -19.177 -8.623 2.193 396 HD2 PRO 53 1HD PRO 53 -18.517 -10.080 -0.026 397 HD3 PRO 53 2HD PRO 53 -19.300 -8.490 -0.132 398 H PHE 54 H PHE 54 -13.998 -6.910 1.111 399 HA PHE 54 HA PHE 54 -12.816 -9.509 1.718 400 HB2 PHE 54 1HB PHE 54 -11.103 -9.442 0.020 401 HB3 PHE 54 2HB PHE 54 -12.655 -9.296 -0.781 402 HD1 PHE 54 HD1 PHE 54 -13.320 -7.131 -1.838 403 HD2 PHE 54 HD2 PHE 54 -9.449 -7.643 -0.087 404 HE1 PHE 54 HE1 PHE 54 -12.497 -5.150 -3.038 405 HE2 PHE 54 HE2 PHE 54 -8.644 -5.658 -1.288 406 HZ PHE 54 HZ PHE 54 -10.168 -4.410 -2.764 407 H SER 55 H SER 55 -10.780 -9.394 2.699 408 HA SER 55 HA SER 55 -9.501 -6.828 3.189 409 HB2 SER 55 1HB SER 55 -9.409 -7.309 5.699 410 HB3 SER 55 2HB SER 55 -11.001 -6.860 5.088 411 HG SER 55 HG SER 55 -10.156 -9.547 5.442 412 H ASP 56 H ASP 56 -7.361 -7.060 3.188 413 HA ASP 56 HA ASP 56 -6.022 -9.628 3.649 414 HB2 ASP 56 1HB ASP 56 -6.744 -9.306 1.125 415 HB3 ASP 56 2HB ASP 56 -5.468 -8.103 1.053 416 H SER 57 H SER 57 -3.652 -9.280 3.880 417 HA SER 57 HA SER 57 -2.761 -6.503 4.235 418 HB2 SER 57 1HB SER 57 -2.605 -8.565 6.481 419 HB3 SER 57 2HB SER 57 -1.923 -6.936 6.531 420 HG SER 57 HG SER 57 -4.056 -6.132 6.331 421 H PHE 58 H PHE 58 -0.629 -6.205 3.850 422 HA PHE 58 HA PHE 58 1.258 -8.444 4.006 423 HB2 PHE 58 1HB PHE 58 2.383 -7.763 1.876 424 HB3 PHE 58 2HB PHE 58 0.785 -8.431 1.634 425 HD1 PHE 58 HD2 PHE 58 -1.159 -6.817 1.141 426 HD2 PHE 58 HD1 PHE 58 2.945 -5.598 0.961 427 HE1 PHE 58 HE2 PHE 58 -1.781 -4.904 -0.269 428 HE2 PHE 58 HE1 PHE 58 2.304 -3.670 -0.452 429 HZ PHE 58 HZ PHE 58 -0.054 -3.339 -1.070 430 H GLU 59 H GLU 59 3.359 -7.812 4.513 431 HA GLU 59 HA GLU 59 3.743 -4.975 5.302 432 HB2 GLU 59 1HB GLU 59 4.482 -7.463 6.902 433 HB3 GLU 59 2HB GLU 59 5.034 -5.833 7.293 434 HG2 GLU 59 1HG GLU 59 2.792 -5.092 7.754 435 HG3 GLU 59 2HG GLU 59 2.110 -6.587 7.139 436 H LEU 60 H LEU 60 5.586 -4.122 4.627 437 HA LEU 60 HA LEU 60 7.688 -5.868 3.490 438 HB2 LEU 60 1HB LEU 60 6.577 -3.291 2.313 439 HB3 LEU 60 2HB LEU 60 7.976 -4.156 1.689 440 HG LEU 60 HG LEU 60 5.131 -5.261 1.755 441 HD11 LEU 60 1HD1 LEU 60 5.299 -3.461 0.121 442 HD12 LEU 60 2HD1 LEU 60 5.161 -5.015 -0.694 443 HD13 LEU 60 3HD1 LEU 60 6.729 -4.209 -0.601 444 HD21 LEU 60 3HD2 LEU 60 6.023 -7.099 0.369 445 HD22 LEU 60 1HD2 LEU 60 6.794 -7.056 1.955 446 HD23 LEU 60 2HD2 LEU 60 7.655 -6.446 0.537 447 HA PRO 61 HA PRO 61 10.170 -3.273 6.336 448 HB2 PRO 61 1HB PRO 61 12.598 -4.414 5.657 449 HB3 PRO 61 2HB PRO 61 11.466 -5.156 6.797 450 HG2 PRO 61 1HG PRO 61 11.819 -5.718 3.849 451 HG3 PRO 61 2HG PRO 61 11.723 -6.873 5.201 452 HD2 PRO 61 1HD PRO 61 9.574 -6.374 3.674 453 HD3 PRO 61 2HD PRO 61 9.389 -6.584 5.434 454 H ARG 62 H ARG 62 11.849 -1.626 5.972 455 HA ARG 62 HA ARG 62 11.700 -0.004 3.767 456 HB2 ARG 62 1HB ARG 62 12.772 0.720 5.836 457 HB3 ARG 62 2HB ARG 62 14.081 -0.436 5.618 458 HG2 ARG 62 1HG ARG 62 14.825 0.810 3.600 459 HG3 ARG 62 2HG ARG 62 13.534 1.984 3.858 460 HD2 ARG 62 1HD ARG 62 14.545 2.787 5.874 461 HD3 ARG 62 2HD ARG 62 15.673 1.423 5.938 462 HE ARG 62 HE ARG 62 16.274 2.575 3.568 463 HH11 ARG 62 1HH1 ARG 62 15.984 4.039 6.753 464 HH12 ARG 62 2HH1 ARG 62 17.278 5.160 6.464 465 HH21 ARG 62 1HH2 ARG 62 17.944 4.027 3.233 466 HH22 ARG 62 2HH2 ARG 62 18.375 5.153 4.477 467 H ASP 63 H ASP 63 13.654 -2.853 4.163 468 HA ASP 63 HA ASP 63 15.410 -2.765 2.004 469 HB2 ASP 63 1HB ASP 63 15.586 -4.407 3.803 470 HB3 ASP 63 2HB ASP 63 14.037 -5.119 3.365 471 H THR 64 H THR 64 11.980 -3.774 2.053 472 HA THR 64 HA THR 64 12.000 -4.130 -0.889 473 HB THR 64 HB THR 64 10.308 -5.998 -0.568 474 HG1 THR 64 HG1 THR 64 9.816 -6.665 1.406 475 HG21 THR 64 3HG2 THR 64 13.039 -6.523 0.675 476 HG22 THR 64 1HG2 THR 64 12.674 -6.556 -1.054 477 HG23 THR 64 2HG2 THR 64 11.946 -7.746 0.025 478 H ALA 65 H ALA 65 10.996 -2.058 1.261 479 HA ALA 65 HA ALA 65 8.180 -1.923 1.143 480 HB1 ALA 65 3HB ALA 65 9.505 -0.697 2.816 481 HB2 ALA 65 1HB ALA 65 8.408 0.385 1.955 482 HB3 ALA 65 2HB ALA 65 10.129 0.369 1.558 483 H PHE 66 H PHE 66 10.624 -0.731 -0.992 484 HA PHE 66 HA PHE 66 9.063 0.894 -2.682 485 HB2 PHE 66 1HB PHE 66 11.677 -0.542 -3.288 486 HB3 PHE 66 2HB PHE 66 11.020 0.816 -4.201 487 HD1 PHE 66 HD2 PHE 66 10.529 2.986 -2.888 488 HD2 PHE 66 HD1 PHE 66 13.107 -0.084 -1.404 489 HE1 PHE 66 HE2 PHE 66 11.535 4.578 -1.348 490 HE2 PHE 66 HE1 PHE 66 14.108 1.533 0.166 491 HZ PHE 66 HZ PHE 66 13.316 3.871 0.188 492 H ASN 67 H ASN 67 8.786 -2.388 -2.369 493 HA ASN 67 HA ASN 67 7.855 -2.913 -5.111 494 HB2 ASN 67 1HB ASN 67 7.994 -4.743 -2.667 495 HB3 ASN 67 2HB ASN 67 7.567 -5.258 -4.300 496 HD21 ASN 67 2HD2 ASN 67 9.664 -6.226 -2.569 497 HD22 ASN 67 1HD2 ASN 67 11.157 -5.993 -3.408 498 H PHE 68 H PHE 68 6.627 -1.280 -2.644 499 HA PHE 68 HA PHE 68 4.434 -2.538 -1.578 500 HB2 PHE 68 1HB PHE 68 3.669 -0.368 -0.838 501 HB3 PHE 68 2HB PHE 68 5.417 -0.415 -0.729 502 HD1 PHE 68 HD1 PHE 68 6.781 0.774 -2.608 503 HD2 PHE 68 HD2 PHE 68 2.578 1.334 -2.038 504 HE1 PHE 68 HE1 PHE 68 6.886 2.842 -3.927 505 HE2 PHE 68 HE2 PHE 68 2.698 3.409 -3.359 506 HZ PHE 68 HZ PHE 68 4.843 4.167 -4.305 507 H ALA 69 H ALA 69 4.525 -0.475 -4.492 508 HA ALA 69 HA ALA 69 1.675 -0.444 -4.824 509 HB1 ALA 69 3HB ALA 69 3.070 1.466 -5.469 510 HB2 ALA 69 1HB ALA 69 2.168 0.852 -6.856 511 HB3 ALA 69 2HB ALA 69 3.888 0.483 -6.682 512 H SER 70 H SER 70 4.322 -2.401 -5.974 513 HA SER 70 HA SER 70 3.071 -3.402 -8.346 514 HB2 SER 70 1HB SER 70 5.400 -4.573 -6.754 515 HB3 SER 70 2HB SER 70 5.004 -4.898 -8.446 516 HG SER 70 HG SER 70 5.536 -2.786 -8.941 517 H ASP 71 H ASP 71 3.647 -4.622 -5.038 518 HA ASP 71 HA ASP 71 2.142 -7.024 -5.350 519 HB2 ASP 71 1HB ASP 71 3.995 -6.685 -3.665 520 HB3 ASP 71 2HB ASP 71 2.916 -5.643 -2.741 521 H ALA 72 H ALA 72 1.405 -3.905 -3.762 522 HA ALA 72 HA ALA 72 -1.239 -4.136 -3.113 523 HB1 ALA 72 3HB ALA 72 -0.052 -1.709 -4.496 524 HB2 ALA 72 1HB ALA 72 0.048 -2.068 -2.771 525 HB3 ALA 72 2HB ALA 72 -1.518 -1.729 -3.509 526 H THR 73 H THR 73 0.011 -3.611 -6.380 527 HA THR 73 HA THR 73 -2.558 -3.527 -7.688 528 HB THR 73 HB THR 73 0.217 -4.057 -8.856 529 HG1 THR 73 HG1 THR 73 -0.507 -1.920 -7.827 530 HG21 THR 73 3HG2 THR 73 -2.372 -3.368 -10.321 531 HG22 THR 73 1HG2 THR 73 -1.518 -4.913 -10.409 532 HG23 THR 73 2HG2 THR 73 -0.769 -3.454 -11.052 533 H ARG 74 H ARG 74 -0.119 -6.035 -7.075 534 HA ARG 74 HA ARG 74 -1.102 -8.173 -8.554 535 HB2 ARG 74 1HB ARG 74 1.116 -8.183 -7.606 536 HB3 ARG 74 2HB ARG 74 0.479 -8.045 -5.973 537 HG2 ARG 74 1HG ARG 74 -0.472 -10.358 -6.204 538 HG3 ARG 74 2HG ARG 74 0.328 -10.481 -7.777 539 HD2 ARG 74 1HD ARG 74 2.518 -10.172 -6.718 540 HD3 ARG 74 2HD ARG 74 1.749 -9.941 -5.144 541 HE ARG 74 HE ARG 74 1.420 -12.494 -6.586 542 HH11 ARG 74 1HH1 ARG 74 2.586 -10.753 -3.752 543 HH12 ARG 74 2HH1 ARG 74 3.076 -12.194 -2.923 544 HH21 ARG 74 1HH2 ARG 74 2.087 -14.380 -5.466 545 HH22 ARG 74 2HH2 ARG 74 2.803 -14.239 -3.891 546 H VAL 75 H VAL 75 -1.714 -7.425 -5.107 547 HA VAL 75 HA VAL 75 -3.533 -9.565 -4.694 548 HB VAL 75 HB VAL 75 -2.203 -8.699 -2.840 549 HG11 VAL 75 1HG1 VAL 75 -2.691 -6.559 -1.742 550 HG12 VAL 75 2HG1 VAL 75 -3.852 -6.164 -3.011 551 HG13 VAL 75 3HG1 VAL 75 -2.139 -6.317 -3.400 552 HG21 VAL 75 3HG2 VAL 75 -5.180 -8.335 -2.332 553 HG22 VAL 75 1HG2 VAL 75 -3.951 -8.610 -1.096 554 HG23 VAL 75 2HG2 VAL 75 -4.300 -9.863 -2.287 555 H ALA 76 H ALA 76 -3.939 -6.192 -5.661 556 HA ALA 76 HA ALA 76 -6.743 -5.942 -5.325 557 HB1 ALA 76 3HB ALA 76 -4.901 -4.650 -7.376 558 HB2 ALA 76 1HB ALA 76 -5.264 -4.019 -5.767 559 HB3 ALA 76 2HB ALA 76 -6.536 -4.112 -6.986 560 H GLN 77 H GLN 77 -4.716 -7.265 -7.839 561 HA GLN 77 HA GLN 77 -6.781 -7.795 -9.764 562 HB2 GLN 77 1HB GLN 77 -3.900 -8.762 -9.619 563 HB3 GLN 77 2HB GLN 77 -4.973 -9.028 -10.992 564 HG2 GLN 77 1HG GLN 77 -5.108 -6.644 -11.422 565 HG3 GLN 77 2HG GLN 77 -4.181 -6.286 -9.967 566 HE21 GLN 77 2HE2 GLN 77 -3.514 -5.428 -12.579 567 HE22 GLN 77 1HE2 GLN 77 -2.004 -6.141 -13.015 568 H LYS 78 H LYS 78 -5.007 -9.813 -7.388 569 HA LYS 78 HA LYS 78 -5.890 -12.342 -8.011 570 HB2 LYS 78 1HB LYS 78 -5.378 -11.118 -5.269 571 HB3 LYS 78 2HB LYS 78 -5.604 -12.846 -5.526 572 HG2 LYS 78 1HG LYS 78 -3.587 -12.941 -6.913 573 HG3 LYS 78 2HG LYS 78 -3.385 -11.196 -6.790 574 HD2 LYS 78 1HD LYS 78 -1.836 -12.318 -5.262 575 HD3 LYS 78 2HD LYS 78 -3.033 -11.410 -4.333 576 HE2 LYS 78 1HE LYS 78 -2.653 -13.590 -3.301 577 HE3 LYS 78 2HE LYS 78 -4.296 -13.517 -3.939 578 HZ1 LYS 78 3HZ LYS 78 -1.975 -14.896 -5.180 579 HZ2 LYS 78 1HZ LYS 78 -3.490 -14.739 -5.906 580 HZ3 LYS 78 2HZ LYS 78 -3.327 -15.614 -4.477 581 H HIS 79 H HIS 79 -7.614 -9.846 -6.235 582 HA HIS 79 HA HIS 79 -9.864 -11.515 -5.511 583 HB2 HIS 79 1HB HIS 79 -9.291 -8.542 -5.233 584 HB3 HIS 79 2HB HIS 79 -10.849 -9.230 -4.780 585 HD1 HIS 79 HD1 HIS 79 -10.996 -10.481 -2.580 586 HD2 HIS 79 HD2 HIS 79 -7.099 -9.454 -3.552 587 HE1 HIS 79 HE1 HIS 79 -9.626 -11.004 -0.544 588 HE2 HIS 79 HE2 HIS 79 -7.254 -10.600 -1.255 589 H GLY 80 H GLY 80 -9.247 -11.169 -8.496 590 HA2 GLY 80 1HA GLY 80 -10.401 -11.150 -10.422 591 HA3 GLY 80 2HA GLY 80 -11.816 -11.474 -9.437 592 H LEU 81 H LEU 81 -9.679 -8.702 -10.205 593 HA LEU 81 HA LEU 81 -11.812 -6.830 -9.729 594 HB2 LEU 81 1HB LEU 81 -10.244 -5.123 -9.866 595 HB3 LEU 81 2HB LEU 81 -9.286 -6.463 -9.279 596 HG LEU 81 HG LEU 81 -9.270 -5.331 -12.110 597 HD11 LEU 81 1HD1 LEU 81 -6.957 -4.662 -11.590 598 HD12 LEU 81 2HD1 LEU 81 -7.141 -5.280 -9.946 599 HD13 LEU 81 3HD1 LEU 81 -8.113 -3.909 -10.490 600 HD21 LEU 81 3HD2 LEU 81 -7.370 -6.893 -12.562 601 HD22 LEU 81 1HD2 LEU 81 -8.901 -7.728 -12.296 602 HD23 LEU 81 2HD2 LEU 81 -7.693 -7.683 -11.020 603 H HIS 82 H HIS 82 -10.550 -8.437 -12.572 604 HA HIS 82 HA HIS 82 -10.829 -8.246 -14.813 605 HB2 HIS 82 1HB HIS 82 -13.130 -8.862 -14.304 606 HB3 HIS 82 2HB HIS 82 -13.531 -7.209 -13.886 607 HD1 HIS 82 HD1 HIS 82 -15.525 -7.541 -15.573 608 HD2 HIS 82 HD2 HIS 82 -11.761 -7.500 -17.326 609 HE1 HIS 82 HE1 HIS 82 -15.932 -7.234 -18.022 610 HE2 HIS 82 HE2 HIS 82 -13.635 -7.030 -19.036 611 HA PRO 83 HA PRO 83 -9.061 -4.005 -14.694 612 HB2 PRO 83 1HB PRO 83 -7.485 -4.253 -16.970 613 HB3 PRO 83 2HB PRO 83 -7.007 -4.808 -15.360 614 HG2 PRO 83 1HG PRO 83 -8.209 -6.382 -17.636 615 HG3 PRO 83 2HG PRO 83 -6.859 -6.822 -16.562 616 HD2 PRO 83 1HD PRO 83 -9.336 -7.822 -16.187 617 HD3 PRO 83 2HD PRO 83 -8.301 -7.414 -14.798 618 H LYS 84 H LYS 84 -11.090 -3.083 -15.101 619 HA LYS 84 HA LYS 84 -12.152 -2.596 -17.713 620 HB2 LYS 84 1HB LYS 84 -13.576 -2.556 -15.711 621 HB3 LYS 84 2HB LYS 84 -12.643 -1.220 -15.042 622 HG2 LYS 84 1HG LYS 84 -13.398 0.229 -16.921 623 HG3 LYS 84 2HG LYS 84 -14.370 -1.109 -17.545 624 HD2 LYS 84 1HD LYS 84 -15.784 -1.094 -15.586 625 HD3 LYS 84 2HD LYS 84 -14.710 0.035 -14.758 626 HE2 LYS 84 1HE LYS 84 -15.286 1.780 -16.422 627 HE3 LYS 84 2HE LYS 84 -16.399 0.648 -17.197 628 HZ1 LYS 84 3HZ LYS 84 -16.591 1.667 -14.418 629 HZ2 LYS 84 1HZ LYS 84 -17.617 0.511 -15.100 630 HZ3 LYS 84 2HZ LYS 84 -17.586 2.083 -15.716 631 H PHE 85 H PHE 85 -10.031 -0.868 -15.479 632 HA PHE 85 HA PHE 85 -9.741 1.580 -16.875 633 HB2 PHE 85 1HB PHE 85 -7.742 0.214 -15.011 634 HB3 PHE 85 2HB PHE 85 -7.724 1.912 -15.467 635 HD1 PHE 85 HD2 PHE 85 -9.665 3.411 -14.706 636 HD2 PHE 85 HD1 PHE 85 -9.066 -0.530 -13.142 637 HE1 PHE 85 HE2 PHE 85 -11.068 3.963 -12.762 638 HE2 PHE 85 HE1 PHE 85 -10.476 0.037 -11.206 639 HZ PHE 85 HZ PHE 85 -11.474 2.283 -11.007 640 H GLY 86 H GLY 86 -8.535 -1.574 -17.562 641 HA2 GLY 86 1HA GLY 86 -7.248 -2.418 -19.255 642 HA3 GLY 86 2HA GLY 86 -7.184 -0.810 -19.958 643 H ALA 87 H ALA 87 -5.229 0.110 -19.998 644 HA ALA 87 HA ALA 87 -3.440 0.133 -17.755 645 HB1 ALA 87 3HB ALA 87 -2.484 -1.336 -20.251 646 HB2 ALA 87 1HB ALA 87 -2.804 -2.071 -18.680 647 HB3 ALA 87 2HB ALA 87 -1.487 -0.911 -18.857 648 H ILE 88 H ILE 88 -4.061 2.348 -18.122 649 HA ILE 88 HA ILE 88 -3.019 3.705 -20.509 650 HB ILE 88 HB ILE 88 -4.506 4.935 -18.137 651 HG12 ILE 88 1HG1 ILE 88 -5.974 3.288 -19.274 652 HG13 ILE 88 2HG1 ILE 88 -6.536 4.924 -19.577 653 HG21 ILE 88 1HG2 ILE 88 -3.920 6.073 -20.908 654 HG22 ILE 88 2HG2 ILE 88 -3.192 6.595 -19.388 655 HG23 ILE 88 3HG2 ILE 88 -4.913 6.850 -19.670 656 HD11 ILE 88 3HD1 ILE 88 -5.539 4.838 -21.825 657 HD12 ILE 88 1HD1 ILE 88 -6.725 3.555 -21.569 658 HD13 ILE 88 2HD1 ILE 88 -5.000 3.186 -21.515 659 H THR 89 H THR 89 -0.853 3.595 -20.295 660 HA THR 89 HA THR 89 0.609 4.431 -17.925 661 HB THR 89 HB THR 89 2.621 3.961 -19.342 662 HG1 THR 89 HG1 THR 89 2.415 3.999 -21.441 663 HG21 THR 89 3HG2 THR 89 1.564 2.040 -18.181 664 HG22 THR 89 1HG2 THR 89 2.254 1.545 -19.730 665 HG23 THR 89 2HG2 THR 89 0.512 1.772 -19.571 666 H ARG 90 H ARG 90 -1.011 6.129 -20.221 667 HA ARG 90 HA ARG 90 0.928 8.066 -21.108 668 HB2 ARG 90 1HB ARG 90 -2.101 7.930 -21.439 669 HB3 ARG 90 2HB ARG 90 -1.105 9.189 -22.149 670 HG2 ARG 90 1HG ARG 90 -1.658 7.571 -23.855 671 HG3 ARG 90 2HG ARG 90 0.068 7.465 -23.518 672 HD2 ARG 90 1HD ARG 90 -0.235 5.406 -22.281 673 HD3 ARG 90 2HD ARG 90 -1.990 5.582 -22.321 674 HE ARG 90 HE ARG 90 -1.661 5.398 -24.863 675 HH11 ARG 90 1HH1 ARG 90 0.372 3.682 -22.576 676 HH12 ARG 90 2HH1 ARG 90 0.555 2.298 -23.599 677 HH21 ARG 90 1HH2 ARG 90 -1.416 3.573 -26.190 678 HH22 ARG 90 2HH2 ARG 90 -0.455 2.234 -25.655 679 H VAL 91 H VAL 91 -1.733 7.948 -18.784 680 HA VAL 91 HA VAL 91 -1.706 10.696 -18.007 681 HB VAL 91 HB VAL 91 -3.109 9.961 -16.081 682 HG11 VAL 91 1HG1 VAL 91 -5.025 9.078 -17.373 683 HG12 VAL 91 2HG1 VAL 91 -3.948 8.707 -18.722 684 HG13 VAL 91 3HG1 VAL 91 -4.207 10.384 -18.236 685 HG21 VAL 91 3HG2 VAL 91 -2.012 7.806 -15.555 686 HG22 VAL 91 1HG2 VAL 91 -2.593 7.118 -17.076 687 HG23 VAL 91 2HG2 VAL 91 -3.740 7.571 -15.813 688 H HIS 92 H HIS 92 -1.310 11.332 -15.642 689 HA HIS 92 HA HIS 92 1.341 10.559 -14.812 690 HB2 HIS 92 1HB HIS 92 -0.676 12.542 -13.729 691 HB3 HIS 92 2HB HIS 92 0.724 12.097 -12.763 692 HD1 HIS 92 HD1 HIS 92 2.694 13.555 -13.091 693 HD2 HIS 92 HD2 HIS 92 0.203 13.595 -16.413 694 HE1 HIS 92 HE1 HIS 92 3.693 15.229 -14.662 695 HE2 HIS 92 HE2 HIS 92 2.254 15.132 -16.719 696 H LYS 93 H LYS 93 0.964 8.319 -14.505 697 HA LYS 93 HA LYS 93 -0.491 7.160 -12.414 698 HB2 LYS 93 1HB LYS 93 1.250 5.324 -12.431 699 HB3 LYS 93 2HB LYS 93 0.529 5.662 -13.992 700 HG2 LYS 93 1HG LYS 93 3.222 6.836 -13.235 701 HG3 LYS 93 2HG LYS 93 3.085 5.195 -13.871 702 HD2 LYS 93 1HD LYS 93 2.106 6.024 -15.942 703 HD3 LYS 93 2HD LYS 93 2.041 7.667 -15.306 704 HE2 LYS 93 1HE LYS 93 4.530 7.700 -15.217 705 HE3 LYS 93 2HE LYS 93 4.559 6.083 -15.925 706 HZ1 LYS 93 3HZ LYS 93 3.416 8.510 -17.195 707 HZ2 LYS 93 1HZ LYS 93 3.460 6.971 -17.884 708 HZ3 LYS 93 2HZ LYS 93 4.898 7.805 -17.580 709 H GLU 94 H GLU 94 -0.232 7.148 -10.245 710 HA GLU 94 HA GLU 94 1.544 9.162 -9.111 711 HB2 GLU 94 1HB GLU 94 -0.751 7.576 -7.889 712 HB3 GLU 94 2HB GLU 94 0.088 8.913 -7.098 713 HG2 GLU 94 1HG GLU 94 -0.717 10.476 -8.793 714 HG3 GLU 94 2HG GLU 94 -1.469 9.163 -9.698 715 H TYR 95 H TYR 95 2.688 6.507 -9.914 716 HA TYR 95 HA TYR 95 3.264 4.947 -7.617 717 HB2 TYR 95 1HB TYR 95 3.529 3.983 -9.856 718 HB3 TYR 95 2HB TYR 95 4.745 5.186 -10.268 719 HD1 TYR 95 HD2 TYR 95 4.112 2.387 -7.850 720 HD2 TYR 95 HD1 TYR 95 7.068 4.651 -9.940 721 HE1 TYR 95 HE2 TYR 95 5.855 0.862 -7.040 722 HE2 TYR 95 HE1 TYR 95 8.815 3.127 -9.121 723 HH TYR 95 HH TYR 95 9.178 1.529 -7.292 724 H ASP 96 H ASP 96 5.275 7.279 -9.444 725 HA ASP 96 HA ASP 96 7.468 7.422 -7.754 726 HB2 ASP 96 1HB ASP 96 7.506 8.333 -10.022 727 HB3 ASP 96 2HB ASP 96 6.294 9.535 -9.602 728 H ALA 97 H ALA 97 4.417 9.247 -7.573 729 HA ALA 97 HA ALA 97 5.227 11.210 -5.695 730 HB1 ALA 97 3HB ALA 97 2.816 11.634 -5.408 731 HB2 ALA 97 1HB ALA 97 2.447 10.134 -6.268 732 HB3 ALA 97 2HB ALA 97 3.238 11.467 -7.113 733 H MET 98 H MET 98 3.351 8.197 -5.253 734 HA MET 98 HA MET 98 3.367 8.237 -2.419 735 HB2 MET 98 1HB MET 98 1.764 7.006 -4.014 736 HB3 MET 98 2HB MET 98 2.995 5.756 -4.135 737 HG2 MET 98 1HG MET 98 2.820 5.343 -1.719 738 HG3 MET 98 2HG MET 98 1.625 6.632 -1.569 739 HE1 MET 98 3HE MET 98 -0.082 6.122 -4.317 740 HE2 MET 98 1HE MET 98 -0.836 6.492 -2.764 741 HE3 MET 98 2HE MET 98 -1.369 5.092 -3.692 742 H PHE 99 H PHE 99 5.593 6.930 -4.750 743 HA PHE 99 HA PHE 99 7.098 5.107 -3.195 744 HB2 PHE 99 1HB PHE 99 7.098 5.225 -5.681 745 HB3 PHE 99 2HB PHE 99 7.899 6.779 -5.619 746 HD1 PHE 99 HD1 PHE 99 10.337 6.898 -4.925 747 HD2 PHE 99 HD2 PHE 99 8.335 3.166 -5.555 748 HE1 PHE 99 HE1 PHE 99 12.505 5.770 -5.176 749 HE2 PHE 99 HE2 PHE 99 10.510 2.052 -5.797 750 HZ PHE 99 HZ PHE 99 12.597 3.345 -5.607 751 H GLU 100 H GLU 100 7.865 8.437 -4.186 752 HA GLU 100 HA GLU 100 10.160 8.735 -2.590 753 HB2 GLU 100 1HB GLU 100 8.413 10.805 -3.934 754 HB3 GLU 100 2HB GLU 100 10.009 11.117 -3.262 755 HG2 GLU 100 1HG GLU 100 9.622 9.022 -5.408 756 HG3 GLU 100 2HG GLU 100 9.760 10.727 -5.820 757 H ASP 101 H ASP 101 6.780 9.407 -1.970 758 HA ASP 101 HA ASP 101 7.136 11.007 0.362 759 HB2 ASP 101 1HB ASP 101 4.993 10.876 -0.913 760 HB3 ASP 101 2HB ASP 101 4.791 9.208 -0.402 761 H ILE 102 H ILE 102 6.503 7.507 -0.108 762 HA ILE 102 HA ILE 102 6.593 6.747 2.587 763 HB ILE 102 HB ILE 102 7.042 5.145 0.041 764 HG12 ILE 102 1HG1 ILE 102 4.753 5.219 2.068 765 HG13 ILE 102 2HG1 ILE 102 4.737 5.936 0.463 766 HG21 ILE 102 1HG2 ILE 102 7.011 3.986 2.858 767 HG22 ILE 102 2HG2 ILE 102 8.372 3.974 1.736 768 HG23 ILE 102 3HG2 ILE 102 6.925 3.038 1.370 769 HD11 ILE 102 3HD1 ILE 102 3.439 3.902 0.513 770 HD12 ILE 102 1HD1 ILE 102 4.824 2.982 1.099 771 HD13 ILE 102 2HD1 ILE 102 4.847 3.678 -0.524 772 H ARG 103 H ARG 103 9.280 6.925 0.199 773 HA ARG 103 HA ARG 103 11.243 5.798 1.928 774 HB2 ARG 103 1HB ARG 103 12.927 6.472 0.336 775 HB3 ARG 103 2HB ARG 103 11.525 5.855 -0.503 776 HG2 ARG 103 1HG ARG 103 12.131 7.595 -1.859 777 HG3 ARG 103 2HG ARG 103 10.902 8.356 -0.854 778 HD2 ARG 103 1HD ARG 103 12.490 9.627 0.335 779 HD3 ARG 103 2HD ARG 103 13.827 8.557 -0.112 780 HE ARG 103 HE ARG 103 12.531 9.940 -2.313 781 HH11 ARG 103 1HH1 ARG 103 15.122 10.212 0.041 782 HH12 ARG 103 2HH1 ARG 103 16.165 11.082 -1.039 783 HH21 ARG 103 1HH2 ARG 103 13.916 11.040 -3.723 784 HH22 ARG 103 2HH2 ARG 103 15.476 11.572 -3.164 785 H ALA 104 H ALA 104 10.037 9.055 1.544 786 HA ALA 104 HA ALA 104 12.010 10.420 3.075 787 HB1 ALA 104 3HB ALA 104 9.094 11.139 2.601 788 HB2 ALA 104 1HB ALA 104 10.451 11.595 1.568 789 HB3 ALA 104 2HB ALA 104 10.341 12.230 3.209 790 H LYS 105 H LYS 105 8.853 8.971 3.879 791 HA LYS 105 HA LYS 105 8.953 9.458 6.664 792 HB2 LYS 105 1HB LYS 105 6.888 9.059 5.262 793 HB3 LYS 105 2HB LYS 105 7.316 7.358 5.196 794 HG2 LYS 105 1HG LYS 105 5.662 7.494 6.854 795 HG3 LYS 105 2HG LYS 105 7.165 7.363 7.758 796 HD2 LYS 105 1HD LYS 105 5.829 10.041 7.218 797 HD3 LYS 105 2HD LYS 105 5.385 9.037 8.595 798 HE2 LYS 105 1HE LYS 105 7.739 9.166 9.405 799 HE3 LYS 105 2HE LYS 105 8.127 10.243 8.061 800 HZ1 LYS 105 3HZ LYS 105 6.416 11.772 8.912 801 HZ2 LYS 105 1HZ LYS 105 7.682 11.529 10.006 802 HZ3 LYS 105 2HZ LYS 105 6.197 10.765 10.250 803 H LEU 106 H LEU 106 10.161 6.772 4.716 804 HA LEU 106 HA LEU 106 10.693 4.900 6.768 805 HB2 LEU 106 1HB LEU 106 12.044 5.334 4.077 806 HB3 LEU 106 2HB LEU 106 12.478 4.014 5.151 807 HG LEU 106 HG LEU 106 9.707 4.391 3.934 808 HD11 LEU 106 1HD1 LEU 106 11.346 3.858 2.187 809 HD12 LEU 106 2HD1 LEU 106 10.252 2.504 2.457 810 HD13 LEU 106 3HD1 LEU 106 11.892 2.453 3.110 811 HD21 LEU 106 3HD2 LEU 106 9.624 3.184 6.073 812 HD22 LEU 106 1HD2 LEU 106 10.853 2.051 5.499 813 HD23 LEU 106 2HD2 LEU 106 9.264 2.099 4.733 814 H HIS 107 H HIS 107 12.518 7.662 5.530 815 HA HIS 107 HA HIS 107 14.862 7.370 7.107 816 HB2 HIS 107 1HB HIS 107 14.541 8.824 5.043 817 HB3 HIS 107 2HB HIS 107 13.639 9.954 6.035 818 HD1 HIS 107 HD1 HIS 107 17.084 8.834 5.217 819 HD2 HIS 107 HD2 HIS 107 15.257 11.503 7.817 820 HE1 HIS 107 HE1 HIS 107 18.929 10.302 6.080 821 HE2 HIS 107 HE2 HIS 107 17.782 11.953 7.591 822 H ALA 108 H ALA 108 11.671 8.281 7.928 823 HA ALA 108 HA ALA 108 10.590 8.767 9.835 824 HB1 ALA 108 3HB ALA 108 13.263 9.156 11.227 825 HB2 ALA 108 1HB ALA 108 12.315 7.667 11.223 826 HB3 ALA 108 2HB ALA 108 11.680 9.114 12.008 827 H HIS 109 H HIS 109 13.486 10.893 9.775 828 HA HIS 109 HA HIS 109 11.917 13.317 9.681 829 HB2 HIS 109 1HB HIS 109 14.881 12.791 9.152 830 HB3 HIS 109 2HB HIS 109 14.158 14.397 9.122 831 HD1 HIS 109 HD1 HIS 109 16.351 14.119 11.058 832 HD2 HIS 109 HD2 HIS 109 12.461 13.066 12.067 833 HE1 HIS 109 HE1 HIS 109 16.263 14.188 13.561 834 HE2 HIS 109 HE2 HIS 109 13.874 13.651 14.146 835 HA PRO 110 HA PRO 110 10.714 12.880 5.363 836 HB2 PRO 110 1HB PRO 110 10.808 15.894 5.326 837 HB3 PRO 110 2HB PRO 110 9.515 14.796 4.813 838 HG2 PRO 110 1HG PRO 110 9.317 16.088 7.138 839 HG3 PRO 110 2HG PRO 110 8.810 14.388 7.020 840 HD2 PRO 110 1HD PRO 110 11.344 15.538 8.194 841 HD3 PRO 110 2HD PRO 110 10.329 14.203 8.787 842 H GLY 111 H GLY 111 12.706 11.979 4.653 843 HA2 GLY 111 1HA GLY 111 14.757 13.676 3.441 844 HA3 GLY 111 2HA GLY 111 14.700 11.917 3.451 845 H GLU 112 H GLU 112 13.071 14.751 2.114 846 HA GLU 112 HA GLU 112 11.501 13.291 0.212 847 HB2 GLU 112 1HB GLU 112 11.975 16.262 0.655 848 HB3 GLU 112 2HB GLU 112 10.810 15.632 -0.506 849 HG2 GLU 112 1HG GLU 112 9.558 14.542 1.322 850 HG3 GLU 112 2HG GLU 112 10.733 15.148 2.494 851 HA PRO 113 HA PRO 113 13.989 13.246 -3.509 852 HB2 PRO 113 1HB PRO 113 12.213 14.180 -5.445 853 HB3 PRO 113 2HB PRO 113 12.225 12.536 -4.798 854 HG2 PRO 113 1HG PRO 113 10.517 14.882 -3.959 855 HG3 PRO 113 2HG PRO 113 10.031 13.200 -4.279 856 HD2 PRO 113 1HD PRO 113 10.362 14.031 -1.770 857 HD3 PRO 113 2HD PRO 113 10.948 12.419 -2.246 858 H VAL 114 H VAL 114 15.536 14.789 -2.986 859 HA VAL 114 HA VAL 114 15.746 16.912 -4.861 860 HB VAL 114 HB VAL 114 14.339 18.109 -3.185 861 HG11 VAL 114 1HG1 VAL 114 15.194 18.725 -0.956 862 HG12 VAL 114 2HG1 VAL 114 16.619 17.718 -1.217 863 HG13 VAL 114 3HG1 VAL 114 15.022 16.974 -1.120 864 HG21 VAL 114 3HG2 VAL 114 15.722 20.148 -2.970 865 HG22 VAL 114 1HG2 VAL 114 15.889 19.414 -4.567 866 HG23 VAL 114 2HG2 VAL 114 17.166 19.213 -3.366 867 H ASP 115 H ASP 115 17.865 17.405 -5.228 868 HA ASP 115 HA ASP 115 19.966 16.176 -3.528 869 HB2 ASP 115 1HB ASP 115 19.721 16.030 -6.572 870 HB3 ASP 115 2HB ASP 115 21.146 15.523 -5.672 871 H LEU 116 H LEU 116 19.216 18.810 -3.337 872 HA LEU 116 HA LEU 116 20.580 20.645 -4.981 873 HB2 LEU 116 1HB LEU 116 20.141 22.294 -3.149 874 HB3 LEU 116 2HB LEU 116 18.736 21.403 -3.689 875 HG LEU 116 HG LEU 116 19.231 19.879 -1.553 876 HD11 LEU 116 1HD1 LEU 116 21.353 20.930 -0.900 877 HD12 LEU 116 2HD1 LEU 116 20.144 21.099 0.368 878 HD13 LEU 116 3HD1 LEU 116 20.533 22.475 -0.670 879 HD21 LEU 116 3HD2 LEU 116 17.983 22.633 -1.286 880 HD22 LEU 116 1HD2 LEU 116 17.718 21.262 -0.201 881 HD23 LEU 116 2HD2 LEU 116 17.177 21.178 -1.875 882 H GLU 117 H GLU 117 21.641 18.875 -2.142 883 HA GLU 117 HA GLU 117 24.135 20.387 -1.868 884 HB2 GLU 117 1HB GLU 117 22.769 19.779 0.126 885 HB3 GLU 117 2HB GLU 117 23.002 18.076 -0.235 886 HG2 GLU 117 1HG GLU 117 25.427 18.310 0.180 887 HG3 GLU 117 2HG GLU 117 25.209 20.029 0.507 888 H ARG 118 H ARG 118 23.113 17.802 -3.754 889 HA ARG 118 HA ARG 118 25.336 15.994 -3.353 890 HB2 ARG 118 1HB ARG 118 22.927 15.384 -4.099 891 HB3 ARG 118 2HB ARG 118 23.417 15.903 -5.708 892 HG2 ARG 118 1HG ARG 118 25.286 14.189 -5.596 893 HG3 ARG 118 2HG ARG 118 24.591 13.617 -4.078 894 HD2 ARG 118 1HD ARG 118 23.842 12.180 -5.876 895 HD3 ARG 118 2HD ARG 118 22.463 13.118 -5.293 896 HE ARG 118 HE ARG 118 23.841 14.292 -7.551 897 HH11 ARG 118 1HH1 ARG 118 21.246 12.114 -6.605 898 HH12 ARG 118 2HH1 ARG 118 20.457 12.204 -8.147 899 HH21 ARG 118 1HH2 ARG 118 22.783 14.411 -9.541 900 HH22 ARG 118 2HH2 ARG 118 21.318 13.520 -9.801 901 H ILE 119 H ILE 119 25.372 18.951 -4.715 902 HA ILE 119 HA ILE 119 26.902 18.498 -7.117 903 HB ILE 119 HB ILE 119 26.559 21.055 -5.474 904 HG12 ILE 119 1HG1 ILE 119 24.364 20.230 -6.259 905 HG13 ILE 119 2HG1 ILE 119 24.804 21.684 -7.142 906 HG21 ILE 119 1HG2 ILE 119 28.517 21.221 -6.933 907 HG22 ILE 119 2HG2 ILE 119 27.230 22.269 -7.528 908 HG23 ILE 119 3HG2 ILE 119 27.555 20.731 -8.332 909 HD11 ILE 119 3HD1 ILE 119 24.976 18.848 -8.174 910 HD12 ILE 119 1HD1 ILE 119 25.467 20.291 -9.069 911 HD13 ILE 119 2HD1 ILE 119 23.781 20.066 -8.608 912 H ILE 120 H ILE 120 27.767 20.089 -4.020 913 HA ILE 120 HA ILE 120 30.577 19.193 -4.302 914 HB ILE 120 HB ILE 120 29.425 21.553 -2.738 915 HG12 ILE 120 1HG1 ILE 120 31.210 21.508 -5.229 916 HG13 ILE 120 2HG1 ILE 120 29.510 21.963 -5.195 917 HG21 ILE 120 1HG2 ILE 120 31.337 20.593 -1.519 918 HG22 ILE 120 2HG2 ILE 120 31.780 22.156 -2.201 919 HG23 ILE 120 3HG2 ILE 120 32.333 20.670 -2.976 920 HD11 ILE 120 3HD1 ILE 120 30.952 23.900 -5.352 921 HD12 ILE 120 1HD1 ILE 120 31.772 23.455 -3.857 922 HD13 ILE 120 2HD1 ILE 120 30.068 23.919 -3.829 923 H ARG 121 H ARG 121 30.743 17.328 -3.217 924 HA ARG 121 HA ARG 121 29.906 17.224 -0.379 925 HB2 ARG 121 1HB ARG 121 29.663 14.970 -2.423 926 HB3 ARG 121 2HB ARG 121 29.496 14.742 -0.685 927 HG2 ARG 121 1HG ARG 121 27.550 16.291 -0.696 928 HG3 ARG 121 2HG ARG 121 27.701 16.436 -2.449 929 HD2 ARG 121 1HD ARG 121 25.955 14.829 -1.885 930 HD3 ARG 121 2HD ARG 121 27.298 14.005 -2.682 931 HE ARG 121 HE ARG 121 26.774 13.953 0.242 932 HH11 ARG 121 1HH1 ARG 121 27.986 12.334 -2.631 933 HH12 ARG 121 2HH1 ARG 121 28.341 10.857 -1.793 934 HH21 ARG 121 1HH2 ARG 121 27.236 12.010 1.319 935 HH22 ARG 121 2HH2 ARG 121 27.889 10.666 0.436 936 H HIS 122 H HIS 122 32.131 18.089 -0.241 937 HA HIS 122 HA HIS 122 34.370 16.295 -0.607 938 HB2 HIS 122 1HB HIS 122 34.705 18.736 -0.687 939 HB3 HIS 122 2HB HIS 122 34.091 18.911 0.950 940 HD1 HIS 122 HD1 HIS 122 37.128 17.730 -0.955 941 HD2 HIS 122 HD2 HIS 122 35.975 18.431 2.975 942 HE1 HIS 122 HE1 HIS 122 39.237 17.633 0.398 943 HE2 HIS 122 HE2 HIS 122 38.531 18.202 2.743 944 H GLU 123 H GLU 123 34.983 14.723 0.789 945 HA GLU 123 HA GLU 123 33.555 14.219 3.247 946 HB2 GLU 123 1HB GLU 123 35.988 12.827 2.041 947 HB3 GLU 123 2HB GLU 123 35.043 12.224 3.406 948 HG2 GLU 123 1HG GLU 123 33.058 12.008 1.955 949 HG3 GLU 123 2HG GLU 123 33.969 12.662 0.595 950 H GLY 124 H GLY 124 34.187 14.725 5.292 951 HA2 GLY 124 1HA GLY 124 36.128 16.756 5.749 952 HA3 GLY 124 2HA GLY 124 35.200 15.904 6.974 953 H SER 125 H SER 125 35.995 13.333 6.746 954 HA SER 125 HA SER 125 38.708 13.409 7.824 955 HB2 SER 125 1HB SER 125 36.686 11.127 7.671 956 HB3 SER 125 2HB SER 125 38.220 11.086 8.547 957 HG SER 125 HG SER 125 37.215 12.006 10.130 Start of MODEL 20 1 H1 GLN 1 1H GLN 1 -12.106 13.403 -7.466 2 H2 GLN 1 2H GLN 1 -10.971 13.005 -6.282 3 H3 GLN 1 3H GLN 1 -12.314 13.952 -5.879 4 HA GLN 1 HA GLN 1 -12.549 11.675 -5.112 5 HB2 GLN 1 1HB GLN 1 -14.474 12.405 -7.367 6 HB3 GLN 1 2HB GLN 1 -14.811 11.270 -6.061 7 HG2 GLN 1 1HG GLN 1 -14.595 13.136 -4.422 8 HG3 GLN 1 2HG GLN 1 -14.344 14.260 -5.758 9 HE21 GLN 1 2HE2 GLN 1 -16.438 14.277 -3.738 10 HE22 GLN 1 1HE2 GLN 1 -17.944 14.178 -4.577 11 H GLY 2 H GLY 2 -13.514 9.489 -6.115 12 HA2 GLY 2 1HA GLY 2 -13.198 7.612 -7.398 13 HA3 GLY 2 2HA GLY 2 -12.397 8.602 -8.609 14 H HIS 3 H HIS 3 -10.496 7.569 -9.009 15 HA HIS 3 HA HIS 3 -8.981 6.255 -6.907 16 HB2 HIS 3 1HB HIS 3 -7.541 5.410 -8.643 17 HB3 HIS 3 2HB HIS 3 -9.186 5.277 -9.225 18 HD1 HIS 3 HD1 HIS 3 -9.908 7.202 -11.032 19 HD2 HIS 3 HD2 HIS 3 -5.841 6.694 -10.360 20 HE1 HIS 3 HE1 HIS 3 -8.760 8.304 -12.970 21 HE2 HIS 3 HE2 HIS 3 -6.302 8.007 -12.528 22 H MET 4 H MET 4 -7.561 7.297 -5.648 23 HA MET 4 HA MET 4 -6.177 9.750 -6.542 24 HB2 MET 4 1HB MET 4 -7.956 9.601 -4.061 25 HB3 MET 4 2HB MET 4 -6.868 10.929 -4.426 26 HG2 MET 4 1HG MET 4 -8.184 11.541 -6.364 27 HG3 MET 4 2HG MET 4 -9.233 10.138 -6.140 28 HE1 MET 4 3HE MET 4 -10.817 9.808 -4.002 29 HE2 MET 4 1HE MET 4 -11.001 11.014 -2.729 30 HE3 MET 4 2HE MET 4 -9.485 10.130 -2.887 31 H PHE 5 H PHE 5 -4.208 10.073 -5.487 32 HA PHE 5 HA PHE 5 -3.437 8.190 -3.336 33 HB2 PHE 5 1HB PHE 5 -1.917 8.049 -5.260 34 HB3 PHE 5 2HB PHE 5 -1.668 9.795 -5.247 35 HD1 PHE 5 HD1 PHE 5 -1.330 6.821 -2.966 36 HD2 PHE 5 HD2 PHE 5 0.256 10.619 -4.144 37 HE1 PHE 5 HE1 PHE 5 0.495 6.572 -1.346 38 HE2 PHE 5 HE2 PHE 5 2.085 10.351 -2.524 39 HZ PHE 5 HZ PHE 5 2.201 8.332 -1.119 40 H GLU 6 H GLU 6 -2.593 8.954 -1.420 41 HA GLU 6 HA GLU 6 -1.976 11.742 -0.961 42 HB2 GLU 6 1HB GLU 6 -3.585 12.008 0.923 43 HB3 GLU 6 2HB GLU 6 -4.411 11.783 -0.615 44 HG2 GLU 6 1HG GLU 6 -4.759 9.374 -0.016 45 HG3 GLU 6 2HG GLU 6 -4.049 9.701 1.565 46 HA PRO 7 HA PRO 7 1.004 9.882 1.886 47 HB2 PRO 7 1HB PRO 7 0.360 12.144 3.769 48 HB3 PRO 7 2HB PRO 7 1.932 11.603 3.156 49 HG2 PRO 7 1HG PRO 7 0.811 13.814 2.167 50 HG3 PRO 7 2HG PRO 7 1.628 12.668 1.079 51 HD2 PRO 7 1HD PRO 7 -1.330 13.039 1.571 52 HD3 PRO 7 2HD PRO 7 -0.465 12.782 0.037 53 H GLY 8 H GLY 8 -0.109 8.015 2.470 54 HA2 GLY 8 1HA GLY 8 -0.366 6.923 4.718 55 HA3 GLY 8 2HA GLY 8 -1.694 8.043 4.984 56 H HIS 9 H HIS 9 -2.284 7.623 1.910 57 HA HIS 9 HA HIS 9 -3.520 4.992 1.925 58 HB2 HIS 9 1HB HIS 9 -5.028 6.386 3.378 59 HB3 HIS 9 2HB HIS 9 -5.310 7.459 2.012 60 HD1 HIS 9 HD1 HIS 9 -6.976 6.658 0.226 61 HD2 HIS 9 HD2 HIS 9 -6.278 3.870 3.213 62 HE1 HIS 9 HE1 HIS 9 -8.713 4.883 -0.097 63 HE2 HIS 9 HE2 HIS 9 -8.464 3.413 1.926 64 H LEU 10 H LEU 10 -4.428 4.370 -0.054 65 HA LEU 10 HA LEU 10 -4.340 6.142 -2.389 66 HB2 LEU 10 1HB LEU 10 -2.267 4.817 -2.464 67 HB3 LEU 10 2HB LEU 10 -3.155 3.338 -2.142 68 HG LEU 10 HG LEU 10 -4.254 3.518 -4.382 69 HD11 LEU 10 1HD1 LEU 10 -3.414 5.118 -6.053 70 HD12 LEU 10 2HD1 LEU 10 -2.431 5.908 -4.814 71 HD13 LEU 10 3HD1 LEU 10 -4.194 5.936 -4.699 72 HD21 LEU 10 3HD2 LEU 10 -1.217 3.575 -4.528 73 HD22 LEU 10 1HD2 LEU 10 -2.313 2.875 -5.724 74 HD23 LEU 10 2HD2 LEU 10 -2.198 2.166 -4.114 75 H HIS 11 H HIS 11 -6.194 5.903 -3.586 76 HA HIS 11 HA HIS 11 -8.170 3.853 -2.765 77 HB2 HIS 11 1HB HIS 11 -8.682 6.267 -2.176 78 HB3 HIS 11 2HB HIS 11 -8.729 6.635 -3.895 79 HD1 HIS 11 HD1 HIS 11 -11.227 7.395 -3.584 80 HD2 HIS 11 HD2 HIS 11 -10.556 3.368 -2.773 81 HE1 HIS 11 HE1 HIS 11 -13.494 6.351 -3.391 82 HE2 HIS 11 HE2 HIS 11 -13.069 3.915 -2.993 83 H LEU 12 H LEU 12 -9.199 2.679 -4.286 84 HA LEU 12 HA LEU 12 -8.962 3.233 -7.184 85 HB2 LEU 12 1HB LEU 12 -8.864 0.405 -6.016 86 HB3 LEU 12 2HB LEU 12 -8.603 0.880 -7.685 87 HG LEU 12 HG LEU 12 -6.681 1.430 -5.389 88 HD11 LEU 12 1HD1 LEU 12 -6.826 -0.966 -5.879 89 HD12 LEU 12 2HD1 LEU 12 -5.268 -0.319 -6.391 90 HD13 LEU 12 3HD1 LEU 12 -6.519 -0.655 -7.592 91 HD21 LEU 12 3HD2 LEU 12 -5.063 2.082 -7.128 92 HD22 LEU 12 1HD2 LEU 12 -6.480 3.130 -7.159 93 HD23 LEU 12 2HD2 LEU 12 -6.293 1.863 -8.374 94 H VAL 13 H VAL 13 -11.164 3.231 -8.013 95 HA VAL 13 HA VAL 13 -13.153 1.608 -6.613 96 HB VAL 13 HB VAL 13 -12.898 3.794 -5.318 97 HG11 VAL 13 1HG1 VAL 13 -14.058 5.801 -6.121 98 HG12 VAL 13 2HG1 VAL 13 -14.382 5.014 -7.666 99 HG13 VAL 13 3HG1 VAL 13 -12.720 5.368 -7.190 100 HG21 VAL 13 3HG2 VAL 13 -15.316 4.025 -4.851 101 HG22 VAL 13 1HG2 VAL 13 -14.838 2.330 -4.968 102 HG23 VAL 13 2HG2 VAL 13 -15.693 3.101 -6.308 103 H SER 14 H SER 14 -14.975 1.357 -7.526 104 HA SER 14 HA SER 14 -15.625 1.685 -10.291 105 HB2 SER 14 1HB SER 14 -16.807 0.041 -8.793 106 HB3 SER 14 2HB SER 14 -17.650 1.374 -8.020 107 HG SER 14 HG SER 14 -17.784 0.733 -10.787 108 H LEU 15 H LEU 15 -15.691 3.664 -11.182 109 HA LEU 15 HA LEU 15 -16.531 6.030 -9.590 110 HB2 LEU 15 1HB LEU 15 -14.675 7.238 -10.834 111 HB3 LEU 15 2HB LEU 15 -14.143 6.008 -9.710 112 HG LEU 15 HG LEU 15 -13.912 4.466 -11.811 113 HD11 LEU 15 1HD1 LEU 15 -13.869 7.140 -13.241 114 HD12 LEU 15 2HD1 LEU 15 -15.075 5.865 -13.449 115 HD13 LEU 15 3HD1 LEU 15 -13.402 5.581 -13.930 116 HD21 LEU 15 3HD2 LEU 15 -12.005 5.273 -10.489 117 HD22 LEU 15 1HD2 LEU 15 -11.967 6.770 -11.426 118 HD23 LEU 15 2HD2 LEU 15 -11.614 5.225 -12.204 119 HA PRO 16 HA PRO 16 -19.225 7.381 -12.951 120 HB2 PRO 16 1HB PRO 16 -18.441 9.980 -13.493 121 HB3 PRO 16 2HB PRO 16 -19.426 9.505 -12.100 122 HG2 PRO 16 1HG PRO 16 -16.441 9.949 -12.221 123 HG3 PRO 16 2HG PRO 16 -17.616 10.569 -11.034 124 HD2 PRO 16 1HD PRO 16 -16.137 8.428 -10.448 125 HD3 PRO 16 2HD PRO 16 -17.853 8.461 -9.988 126 H GLY 17 H GLY 17 -18.504 5.920 -14.453 127 HA2 GLY 17 1HA GLY 17 -17.863 6.289 -16.940 128 HA3 GLY 17 2HA GLY 17 -16.259 6.538 -16.257 129 H LEU 18 H LEU 18 -16.407 4.685 -14.166 130 HA LEU 18 HA LEU 18 -16.339 2.082 -15.574 131 HB2 LEU 18 1HB LEU 18 -14.178 2.818 -14.611 132 HB3 LEU 18 2HB LEU 18 -14.931 2.994 -13.033 133 HG LEU 18 HG LEU 18 -15.307 0.536 -12.927 134 HD11 LEU 18 1HD1 LEU 18 -14.251 -0.976 -14.564 135 HD12 LEU 18 2HD1 LEU 18 -13.818 0.408 -15.567 136 HD13 LEU 18 3HD1 LEU 18 -15.518 0.008 -15.302 137 HD21 LEU 18 3HD2 LEU 18 -13.266 1.467 -11.931 138 HD22 LEU 18 1HD2 LEU 18 -12.416 1.290 -13.473 139 HD23 LEU 18 2HD2 LEU 18 -12.962 -0.138 -12.592 140 H ASP 19 H ASP 19 -18.450 1.470 -15.359 141 HA ASP 19 HA ASP 19 -19.474 0.864 -12.639 142 HB2 ASP 19 1HB ASP 19 -21.749 1.360 -13.405 143 HB3 ASP 19 2HB ASP 19 -20.733 2.768 -13.681 144 H GLN 20 H GLN 20 -18.150 -0.534 -15.245 145 HA GLN 20 HA GLN 20 -19.904 -2.484 -16.209 146 HB2 GLN 20 1HB GLN 20 -17.655 -1.926 -17.167 147 HB3 GLN 20 2HB GLN 20 -16.889 -2.763 -15.829 148 HG2 GLN 20 1HG GLN 20 -18.787 -4.195 -17.717 149 HG3 GLN 20 2HG GLN 20 -17.086 -3.985 -18.112 150 HE21 GLN 20 2HE2 GLN 20 -18.667 -6.442 -17.624 151 HE22 GLN 20 1HE2 GLN 20 -17.831 -7.294 -16.374 152 H GLN 21 H GLN 21 -17.610 -2.697 -13.460 153 HA GLN 21 HA GLN 21 -19.433 -4.632 -12.172 154 HB2 GLN 21 1HB GLN 21 -17.587 -5.980 -11.408 155 HB3 GLN 21 2HB GLN 21 -17.418 -5.794 -13.151 156 HG2 GLN 21 1HG GLN 21 -15.697 -4.044 -12.780 157 HG3 GLN 21 2HG GLN 21 -15.860 -4.272 -11.037 158 HE21 GLN 21 2HE2 GLN 21 -15.205 -6.289 -10.139 159 HE22 GLN 21 1HE2 GLN 21 -14.033 -7.272 -10.936 160 H ASP 22 H ASP 22 -19.411 -4.562 -9.890 161 HA ASP 22 HA ASP 22 -18.869 -2.031 -8.644 162 HB2 ASP 22 1HB ASP 22 -19.811 -4.694 -7.471 163 HB3 ASP 22 2HB ASP 22 -19.735 -3.185 -6.565 164 H ILE 23 H ILE 23 -16.630 -1.668 -8.513 165 HA ILE 23 HA ILE 23 -15.158 -3.431 -6.629 166 HB ILE 23 HB ILE 23 -13.029 -2.429 -7.480 167 HG12 ILE 23 1HG1 ILE 23 -14.555 -1.286 -9.861 168 HG13 ILE 23 2HG1 ILE 23 -14.254 -0.311 -8.432 169 HG21 ILE 23 1HG2 ILE 23 -13.734 -4.595 -8.372 170 HG22 ILE 23 2HG2 ILE 23 -12.896 -3.671 -9.616 171 HG23 ILE 23 3HG2 ILE 23 -14.656 -3.806 -9.652 172 HD11 ILE 23 3HD1 ILE 23 -12.184 -1.531 -10.232 173 HD12 ILE 23 1HD1 ILE 23 -11.837 -0.642 -8.747 174 HD13 ILE 23 2HD1 ILE 23 -12.623 0.170 -10.099 175 H ASN 24 H ASN 24 -14.355 -2.549 -4.838 176 HA ASN 24 HA ASN 24 -13.619 0.249 -4.741 177 HB2 ASN 24 1HB ASN 24 -14.735 0.802 -2.644 178 HB3 ASN 24 2HB ASN 24 -15.950 0.313 -3.818 179 HD21 ASN 24 2HD2 ASN 24 -16.690 -1.965 -3.651 180 HD22 ASN 24 1HD2 ASN 24 -16.848 -2.631 -2.067 181 H ILE 25 H ILE 25 -11.698 0.420 -3.731 182 HA ILE 25 HA ILE 25 -10.624 -1.827 -2.171 183 HB ILE 25 HB ILE 25 -9.151 -0.722 -4.629 184 HG12 ILE 25 1HG1 ILE 25 -10.459 -3.482 -4.388 185 HG13 ILE 25 2HG1 ILE 25 -11.180 -2.133 -5.255 186 HG21 ILE 25 1HG2 ILE 25 -7.550 -2.580 -4.220 187 HG22 ILE 25 2HG2 ILE 25 -8.473 -3.072 -2.798 188 HG23 ILE 25 3HG2 ILE 25 -7.655 -1.510 -2.822 189 HD11 ILE 25 3HD1 ILE 25 -10.133 -3.654 -6.778 190 HD12 ILE 25 1HD1 ILE 25 -8.596 -3.509 -5.929 191 HD13 ILE 25 2HD1 ILE 25 -9.265 -2.119 -6.787 192 H HIS 26 H HIS 26 -9.843 -0.884 -0.444 193 HA HIS 26 HA HIS 26 -8.877 1.912 -0.469 194 HB2 HIS 26 1HB HIS 26 -9.493 0.241 2.014 195 HB3 HIS 26 2HB HIS 26 -9.479 1.992 1.852 196 HD1 HIS 26 HD1 HIS 26 -11.820 0.165 3.015 197 HD2 HIS 26 HD2 HIS 26 -11.750 1.908 -0.753 198 HE1 HIS 26 HE1 HIS 26 -14.209 0.274 2.284 199 HE2 HIS 26 HE2 HIS 26 -14.158 1.533 0.111 200 H ILE 27 H ILE 27 -6.615 2.148 -0.248 201 HA ILE 27 HA ILE 27 -5.084 -0.249 0.621 202 HB ILE 27 HB ILE 27 -4.172 1.853 -1.407 203 HG12 ILE 27 1HG1 ILE 27 -4.941 -1.082 -1.846 204 HG13 ILE 27 2HG1 ILE 27 -5.849 0.321 -2.403 205 HG21 ILE 27 1HG2 ILE 27 -2.713 -0.645 -0.440 206 HG22 ILE 27 2HG2 ILE 27 -2.292 1.020 -0.039 207 HG23 ILE 27 3HG2 ILE 27 -2.147 0.454 -1.702 208 HD11 ILE 27 3HD1 ILE 27 -4.626 -0.715 -4.217 209 HD12 ILE 27 1HD1 ILE 27 -3.103 -0.509 -3.356 210 HD13 ILE 27 2HD1 ILE 27 -4.003 0.906 -3.914 211 H ARG 28 H ARG 28 -4.682 0.227 2.636 212 HA ARG 28 HA ARG 28 -3.772 2.872 3.545 213 HB2 ARG 28 1HB ARG 28 -5.573 1.722 4.776 214 HB3 ARG 28 2HB ARG 28 -4.583 0.300 4.950 215 HG2 ARG 28 1HG ARG 28 -3.121 1.452 6.525 216 HG3 ARG 28 2HG ARG 28 -4.034 2.950 6.295 217 HD2 ARG 28 1HD ARG 28 -6.031 1.968 7.241 218 HD3 ARG 28 2HD ARG 28 -5.305 0.363 7.249 219 HE ARG 28 HE ARG 28 -3.945 2.284 8.927 220 HH11 ARG 28 1HH1 ARG 28 -6.457 -0.188 8.760 221 HH12 ARG 28 2HH1 ARG 28 -6.556 -0.367 10.482 222 HH21 ARG 28 1HH2 ARG 28 -4.084 1.982 11.208 223 HH22 ARG 28 2HH2 ARG 28 -5.230 0.850 11.854 224 H TYR 29 H TYR 29 -1.669 3.205 4.139 225 HA TYR 29 HA TYR 29 0.043 0.905 4.793 226 HB2 TYR 29 1HB TYR 29 1.953 1.845 3.553 227 HB3 TYR 29 2HB TYR 29 0.622 1.469 2.476 228 HD1 TYR 29 HD2 TYR 29 -0.632 3.287 1.347 229 HD2 TYR 29 HD1 TYR 29 2.729 4.159 3.852 230 HE1 TYR 29 HE2 TYR 29 -0.501 5.548 0.397 231 HE2 TYR 29 HE1 TYR 29 2.848 6.420 2.896 232 HH TYR 29 HH TYR 29 2.137 7.573 0.798 233 H GLU 30 H GLU 30 1.407 1.236 6.491 234 HA GLU 30 HA GLU 30 1.258 3.803 7.954 235 HB2 GLU 30 1HB GLU 30 0.918 1.015 9.167 236 HB3 GLU 30 2HB GLU 30 0.850 2.549 10.035 237 HG2 GLU 30 1HG GLU 30 -1.232 3.135 8.904 238 HG3 GLU 30 2HG GLU 30 -1.138 1.677 7.914 239 H VAL 31 H VAL 31 3.317 4.436 8.265 240 HA VAL 31 HA VAL 31 5.528 2.545 8.046 241 HB VAL 31 HB VAL 31 5.518 5.592 8.281 242 HG11 VAL 31 1HG1 VAL 31 7.650 4.680 9.100 243 HG12 VAL 31 2HG1 VAL 31 7.891 5.471 7.539 244 HG13 VAL 31 3HG1 VAL 31 7.822 3.709 7.634 245 HG21 VAL 31 3HG2 VAL 31 4.459 4.803 6.201 246 HG22 VAL 31 1HG2 VAL 31 5.852 3.775 5.855 247 HG23 VAL 31 2HG2 VAL 31 6.023 5.529 5.838 248 H ARG 32 H ARG 32 6.584 1.775 9.742 249 HA ARG 32 HA ARG 32 6.460 2.880 12.436 250 HB2 ARG 32 1HB ARG 32 4.274 1.661 12.153 251 HB3 ARG 32 2HB ARG 32 5.157 0.205 11.730 252 HG2 ARG 32 1HG ARG 32 6.218 0.472 14.127 253 HG3 ARG 32 2HG ARG 32 4.828 1.515 14.426 254 HD2 ARG 32 1HD ARG 32 3.297 -0.296 13.925 255 HD3 ARG 32 2HD ARG 32 4.636 -1.318 13.382 256 HE ARG 32 HE ARG 32 4.335 -0.419 16.187 257 HH11 ARG 32 1HH1 ARG 32 4.907 -3.000 13.871 258 HH12 ARG 32 2HH1 ARG 32 5.280 -4.174 15.091 259 HH21 ARG 32 1HH2 ARG 32 4.827 -1.978 17.771 260 HH22 ARG 32 2HH2 ARG 32 5.232 -3.599 17.301 261 H GLN 33 H GLN 33 7.754 1.366 13.951 262 HA GLN 33 HA GLN 33 9.879 -0.071 12.500 263 HB2 GLN 33 1HB GLN 33 9.944 0.886 15.389 264 HB3 GLN 33 2HB GLN 33 11.300 0.268 14.458 265 HG2 GLN 33 1HG GLN 33 9.837 2.880 13.964 266 HG3 GLN 33 2HG GLN 33 11.394 2.711 14.771 267 HE21 GLN 33 2HE2 GLN 33 9.727 2.745 11.736 268 HE22 GLN 33 1HE2 GLN 33 11.125 2.725 10.722 269 H ASN 34 H ASN 34 9.873 -2.226 12.602 270 HA ASN 34 HA ASN 34 8.534 -3.687 14.788 271 HB2 ASN 34 1HB ASN 34 8.503 -5.617 13.328 272 HB3 ASN 34 2HB ASN 34 7.952 -4.250 12.367 273 HD21 ASN 34 2HD2 ASN 34 9.734 -3.196 11.012 274 HD22 ASN 34 1HD2 ASN 34 10.868 -4.258 10.270 275 H ALA 35 H ALA 35 9.730 -5.266 15.971 276 HA ALA 35 HA ALA 35 12.467 -4.585 16.503 277 HB1 ALA 35 3HB ALA 35 10.920 -5.333 18.265 278 HB2 ALA 35 1HB ALA 35 12.363 -6.347 18.204 279 HB3 ALA 35 2HB ALA 35 10.841 -6.932 17.527 280 H GLU 36 H GLU 36 11.001 -6.783 14.306 281 HA GLU 36 HA GLU 36 12.924 -8.889 14.300 282 HB2 GLU 36 1HB GLU 36 10.583 -9.226 13.608 283 HB3 GLU 36 2HB GLU 36 10.785 -8.096 12.282 284 HG2 GLU 36 1HG GLU 36 10.773 -10.337 11.429 285 HG3 GLU 36 2HG GLU 36 12.379 -9.645 11.208 286 H SER 37 H SER 37 12.411 -6.055 12.181 287 HA SER 37 HA SER 37 14.985 -6.562 10.799 288 HB2 SER 37 1HB SER 37 12.339 -5.847 9.462 289 HB3 SER 37 2HB SER 37 13.886 -6.046 8.637 290 HG SER 37 HG SER 37 13.587 -8.238 9.998 291 H GLY 38 H GLY 38 13.147 -4.312 12.505 292 HA2 GLY 38 1HA GLY 38 13.929 -2.161 13.101 293 HA3 GLY 38 2HA GLY 38 14.830 -2.065 11.590 294 H ALA 39 H ALA 39 13.997 -0.507 10.310 295 HA ALA 39 HA ALA 39 11.361 0.561 10.525 296 HB1 ALA 39 3HB ALA 39 13.268 1.896 9.741 297 HB2 ALA 39 1HB ALA 39 11.963 1.912 8.552 298 HB3 ALA 39 2HB ALA 39 13.393 0.910 8.285 299 H TYR 40 H TYR 40 9.493 0.132 9.392 300 HA TYR 40 HA TYR 40 9.484 -1.375 6.907 301 HB2 TYR 40 1HB TYR 40 8.439 -3.360 7.573 302 HB3 TYR 40 2HB TYR 40 9.491 -3.080 8.950 303 HD1 TYR 40 HD1 TYR 40 8.316 -1.679 10.958 304 HD2 TYR 40 HD2 TYR 40 6.196 -3.937 8.008 305 HE1 TYR 40 HE1 TYR 40 6.375 -1.833 12.458 306 HE2 TYR 40 HE2 TYR 40 4.267 -4.080 9.514 307 HH TYR 40 HH TYR 40 3.755 -3.955 11.880 308 H VAL 41 H VAL 41 7.048 -1.812 6.277 309 HA VAL 41 HA VAL 41 5.224 0.282 7.292 310 HB VAL 41 HB VAL 41 5.371 -0.497 4.339 311 HG11 VAL 41 1HG1 VAL 41 3.951 1.820 5.706 312 HG12 VAL 41 2HG1 VAL 41 3.181 0.347 5.111 313 HG13 VAL 41 3HG1 VAL 41 3.936 1.468 3.973 314 HG21 VAL 41 3HG2 VAL 41 6.428 1.686 3.876 315 HG22 VAL 41 1HG2 VAL 41 7.457 0.671 4.889 316 HG23 VAL 41 2HG2 VAL 41 6.550 2.001 5.611 317 H HIS 42 H HIS 42 3.362 -0.633 7.978 318 HA HIS 42 HA HIS 42 2.492 -3.307 7.169 319 HB2 HIS 42 1HB HIS 42 2.284 -2.680 9.543 320 HB3 HIS 42 2HB HIS 42 1.313 -1.277 9.132 321 HD1 HIS 42 HD1 HIS 42 1.036 -4.742 10.145 322 HD2 HIS 42 HD2 HIS 42 -1.362 -2.058 8.077 323 HE1 HIS 42 HE1 HIS 42 -1.273 -5.702 10.219 324 HE2 HIS 42 HE2 HIS 42 -2.728 -3.921 9.220 325 H PHE 43 H PHE 43 1.188 -3.552 5.405 326 HA PHE 43 HA PHE 43 -0.401 -1.301 4.378 327 HB2 PHE 43 1HB PHE 43 0.325 -3.947 3.036 328 HB3 PHE 43 2HB PHE 43 -0.408 -2.547 2.260 329 HD1 PHE 43 HD1 PHE 43 0.959 -0.460 1.902 330 HD2 PHE 43 HD2 PHE 43 2.722 -4.052 3.410 331 HE1 PHE 43 HE1 PHE 43 3.201 0.411 1.383 332 HE2 PHE 43 HE2 PHE 43 4.949 -3.175 2.877 333 HZ PHE 43 HZ PHE 43 5.200 -0.945 1.866 334 H ASP 44 H ASP 44 -2.621 -1.427 4.416 335 HA ASP 44 HA ASP 44 -3.982 -3.936 5.212 336 HB2 ASP 44 1HB ASP 44 -3.669 -2.443 7.193 337 HB3 ASP 44 2HB ASP 44 -4.449 -1.135 6.327 338 H MET 45 H MET 45 -5.379 -4.408 3.540 339 HA MET 45 HA MET 45 -6.759 -2.191 2.151 340 HB2 MET 45 1HB MET 45 -5.911 -4.847 0.924 341 HB3 MET 45 2HB MET 45 -6.783 -3.564 0.092 342 HG2 MET 45 1HG MET 45 -4.797 -2.064 0.518 343 HG3 MET 45 2HG MET 45 -3.933 -3.486 1.100 344 HE1 MET 45 3HE MET 45 -4.074 -5.726 -2.192 345 HE2 MET 45 1HE MET 45 -5.406 -5.622 -1.041 346 HE3 MET 45 2HE MET 45 -3.742 -5.732 -0.458 347 H ASP 46 H ASP 46 -8.912 -2.401 1.667 348 HA ASP 46 HA ASP 46 -10.378 -4.862 2.114 349 HB2 ASP 46 1HB ASP 46 -11.882 -4.051 3.850 350 HB3 ASP 46 2HB ASP 46 -10.229 -3.918 4.435 351 H GLY 47 H GLY 47 -12.555 -4.784 1.392 352 HA2 GLY 47 1HA GLY 47 -14.164 -2.696 0.684 353 HA3 GLY 47 2HA GLY 47 -13.155 -2.940 -0.742 354 H GLU 48 H GLU 48 -15.189 -3.619 -1.915 355 HA GLU 48 HA GLU 48 -15.394 -6.507 -1.717 356 HB2 GLU 48 1HB GLU 48 -17.813 -6.658 -1.702 357 HB3 GLU 48 2HB GLU 48 -17.263 -5.798 -0.271 358 HG2 GLU 48 1HG GLU 48 -17.946 -3.657 -1.291 359 HG3 GLU 48 2HG GLU 48 -18.462 -4.519 -2.744 360 H ILE 49 H ILE 49 -14.756 -7.033 -3.598 361 HA ILE 49 HA ILE 49 -15.660 -5.705 -6.054 362 HB ILE 49 HB ILE 49 -13.713 -8.026 -5.718 363 HG12 ILE 49 1HG1 ILE 49 -13.272 -5.034 -6.209 364 HG13 ILE 49 2HG1 ILE 49 -12.865 -5.917 -4.744 365 HG21 ILE 49 1HG2 ILE 49 -13.083 -7.605 -8.087 366 HG22 ILE 49 2HG2 ILE 49 -14.384 -6.416 -8.223 367 HG23 ILE 49 3HG2 ILE 49 -14.763 -8.118 -7.940 368 HD11 ILE 49 3HD1 ILE 49 -10.889 -5.436 -6.015 369 HD12 ILE 49 1HD1 ILE 49 -11.560 -6.217 -7.447 370 HD13 ILE 49 2HD1 ILE 49 -11.166 -7.175 -6.018 371 H ASP 50 H ASP 50 -17.037 -6.426 -7.535 372 HA ASP 50 HA ASP 50 -18.934 -7.262 -8.348 373 HB2 ASP 50 1HB ASP 50 -17.777 -9.266 -8.988 374 HB3 ASP 50 2HB ASP 50 -17.732 -9.865 -7.336 375 H GLY 51 H GLY 51 -18.567 -9.140 -5.405 376 HA2 GLY 51 1HA GLY 51 -20.357 -7.764 -3.737 377 HA3 GLY 51 2HA GLY 51 -21.187 -9.149 -4.471 378 H LYS 52 H LYS 52 -17.882 -8.517 -3.367 379 HA LYS 52 HA LYS 52 -17.880 -10.891 -1.662 380 HB2 LYS 52 1HB LYS 52 -16.044 -10.451 -4.037 381 HB3 LYS 52 2HB LYS 52 -15.581 -11.496 -2.698 382 HG2 LYS 52 1HG LYS 52 -17.474 -12.972 -3.131 383 HG3 LYS 52 2HG LYS 52 -18.055 -11.902 -4.408 384 HD2 LYS 52 1HD LYS 52 -15.289 -13.146 -4.550 385 HD3 LYS 52 2HD LYS 52 -16.712 -14.039 -5.082 386 HE2 LYS 52 1HE LYS 52 -15.963 -11.304 -6.178 387 HE3 LYS 52 2HE LYS 52 -15.453 -12.824 -6.916 388 HZ1 LYS 52 3HZ LYS 52 -18.266 -11.949 -6.514 389 HZ2 LYS 52 1HZ LYS 52 -17.778 -13.424 -7.179 390 HZ3 LYS 52 2HZ LYS 52 -17.426 -11.985 -7.983 391 HA PRO 53 HA PRO 53 -15.728 -7.513 0.572 392 HB2 PRO 53 1HB PRO 53 -16.054 -8.577 3.086 393 HB3 PRO 53 2HB PRO 53 -17.323 -7.656 2.266 394 HG2 PRO 53 1HG PRO 53 -16.991 -10.648 2.481 395 HG3 PRO 53 2HG PRO 53 -18.460 -9.667 2.694 396 HD2 PRO 53 1HD PRO 53 -17.941 -10.992 0.376 397 HD3 PRO 53 2HD PRO 53 -18.790 -9.431 0.391 398 H PHE 54 H PHE 54 -13.585 -7.435 1.013 399 HA PHE 54 HA PHE 54 -12.120 -9.883 1.736 400 HB2 PHE 54 1HB PHE 54 -10.332 -9.443 0.133 401 HB3 PHE 54 2HB PHE 54 -11.850 -9.617 -0.726 402 HD1 PHE 54 HD1 PHE 54 -12.951 -7.579 -1.732 403 HD2 PHE 54 HD2 PHE 54 -9.037 -7.394 -0.006 404 HE1 PHE 54 HE1 PHE 54 -12.518 -5.465 -2.917 405 HE2 PHE 54 HE2 PHE 54 -8.623 -5.276 -1.187 406 HZ PHE 54 HZ PHE 54 -10.358 -4.311 -2.641 407 H SER 55 H SER 55 -10.626 -9.552 3.270 408 HA SER 55 HA SER 55 -9.611 -6.841 3.822 409 HB2 SER 55 1HB SER 55 -9.712 -7.465 6.292 410 HB3 SER 55 2HB SER 55 -11.285 -7.239 5.531 411 HG SER 55 HG SER 55 -10.047 -9.772 5.854 412 H ASP 56 H ASP 56 -7.501 -6.867 3.628 413 HA ASP 56 HA ASP 56 -5.901 -9.303 4.090 414 HB2 ASP 56 1HB ASP 56 -6.344 -9.149 1.673 415 HB3 ASP 56 2HB ASP 56 -5.828 -7.470 1.647 416 H SER 57 H SER 57 -3.949 -8.897 5.061 417 HA SER 57 HA SER 57 -2.870 -6.173 5.185 418 HB2 SER 57 1HB SER 57 -2.435 -6.432 7.652 419 HB3 SER 57 2HB SER 57 -4.157 -6.386 7.267 420 HG SER 57 HG SER 57 -2.572 -8.657 7.893 421 H PHE 58 H PHE 58 -0.771 -6.192 4.711 422 HA PHE 58 HA PHE 58 0.898 -8.550 5.203 423 HB2 PHE 58 1HB PHE 58 1.866 -8.490 2.933 424 HB3 PHE 58 2HB PHE 58 0.156 -8.869 2.891 425 HD1 PHE 58 HD2 PHE 58 -1.487 -7.134 2.046 426 HD2 PHE 58 HD1 PHE 58 2.739 -6.540 1.759 427 HE1 PHE 58 HE2 PHE 58 -1.833 -5.428 0.301 428 HE2 PHE 58 HE1 PHE 58 2.381 -4.847 0.011 429 HZ PHE 58 HZ PHE 58 0.100 -4.290 -0.721 430 H GLU 59 H GLU 59 3.062 -8.050 5.530 431 HA GLU 59 HA GLU 59 3.668 -5.171 5.928 432 HB2 GLU 59 1HB GLU 59 4.383 -7.498 7.768 433 HB3 GLU 59 2HB GLU 59 4.915 -5.833 7.990 434 HG2 GLU 59 1HG GLU 59 2.630 -5.095 8.355 435 HG3 GLU 59 2HG GLU 59 2.009 -6.698 7.983 436 H LEU 60 H LEU 60 5.535 -4.493 5.133 437 HA LEU 60 HA LEU 60 7.578 -6.425 4.189 438 HB2 LEU 60 1HB LEU 60 6.523 -3.977 2.709 439 HB3 LEU 60 2HB LEU 60 7.913 -4.918 2.200 440 HG LEU 60 HG LEU 60 5.075 -6.027 2.350 441 HD11 LEU 60 1HD1 LEU 60 5.006 -5.875 -0.096 442 HD12 LEU 60 2HD1 LEU 60 6.589 -5.095 -0.113 443 HD13 LEU 60 3HD1 LEU 60 5.209 -4.275 0.619 444 HD21 LEU 60 3HD2 LEU 60 5.970 -7.903 1.043 445 HD22 LEU 60 1HD2 LEU 60 6.823 -7.749 2.578 446 HD23 LEU 60 2HD2 LEU 60 7.582 -7.185 1.084 447 HA PRO 61 HA PRO 61 10.269 -3.581 6.598 448 HB2 PRO 61 1HB PRO 61 12.659 -4.522 5.535 449 HB3 PRO 61 2HB PRO 61 11.792 -5.306 6.863 450 HG2 PRO 61 1HG PRO 61 11.701 -5.952 3.914 451 HG3 PRO 61 2HG PRO 61 11.924 -7.054 5.292 452 HD2 PRO 61 1HD PRO 61 9.523 -6.815 4.154 453 HD3 PRO 61 2HD PRO 61 9.646 -6.900 5.931 454 H ARG 62 H ARG 62 11.393 -1.650 6.077 455 HA ARG 62 HA ARG 62 10.884 -0.063 4.015 456 HB2 ARG 62 1HB ARG 62 12.912 1.235 4.485 457 HB3 ARG 62 2HB ARG 62 12.189 0.654 5.979 458 HG2 ARG 62 1HG ARG 62 13.888 -1.003 6.280 459 HG3 ARG 62 2HG ARG 62 14.507 -0.767 4.643 460 HD2 ARG 62 1HD ARG 62 15.240 1.521 5.266 461 HD3 ARG 62 2HD ARG 62 14.649 1.257 6.909 462 HE ARG 62 HE ARG 62 16.384 -0.817 6.445 463 HH11 ARG 62 1HH1 ARG 62 16.727 2.690 6.379 464 HH12 ARG 62 2HH1 ARG 62 18.383 2.644 6.887 465 HH21 ARG 62 1HH2 ARG 62 18.543 -0.838 7.115 466 HH22 ARG 62 2HH2 ARG 62 19.404 0.655 7.311 467 H ASP 63 H ASP 63 13.033 -2.787 3.623 468 HA ASP 63 HA ASP 63 14.470 -1.724 1.320 469 HB2 ASP 63 1HB ASP 63 14.608 -4.476 2.629 470 HB3 ASP 63 2HB ASP 63 15.747 -3.818 1.460 471 H THR 64 H THR 64 11.555 -3.357 1.867 472 HA THR 64 HA THR 64 11.304 -4.255 -0.925 473 HB THR 64 HB THR 64 9.953 -6.238 -0.130 474 HG1 THR 64 HG1 THR 64 9.782 -6.666 1.966 475 HG21 THR 64 3HG2 THR 64 11.858 -7.665 0.507 476 HG22 THR 64 1HG2 THR 64 12.842 -6.233 0.823 477 HG23 THR 64 2HG2 THR 64 12.302 -6.591 -0.819 478 H ALA 65 H ALA 65 10.146 -2.367 1.546 479 HA ALA 65 HA ALA 65 7.364 -2.450 1.465 480 HB1 ALA 65 3HB ALA 65 8.652 -1.167 3.131 481 HB2 ALA 65 1HB ALA 65 7.415 -0.162 2.372 482 HB3 ALA 65 2HB ALA 65 9.106 0.004 1.892 483 H PHE 66 H PHE 66 9.584 -0.767 -0.619 484 HA PHE 66 HA PHE 66 7.746 0.675 -2.220 485 HB2 PHE 66 1HB PHE 66 10.567 -0.245 -2.939 486 HB3 PHE 66 2HB PHE 66 9.669 1.039 -3.742 487 HD1 PHE 66 HD2 PHE 66 8.912 3.051 -2.252 488 HD2 PHE 66 HD1 PHE 66 11.997 0.306 -1.132 489 HE1 PHE 66 HE2 PHE 66 9.799 4.691 -0.647 490 HE2 PHE 66 HE1 PHE 66 12.872 1.953 0.470 491 HZ PHE 66 HZ PHE 66 11.777 4.141 0.716 492 H ASN 67 H ASN 67 8.195 -2.656 -2.117 493 HA ASN 67 HA ASN 67 7.765 -3.181 -4.978 494 HB2 ASN 67 1HB ASN 67 8.242 -5.078 -2.640 495 HB3 ASN 67 2HB ASN 67 8.054 -5.598 -4.307 496 HD21 ASN 67 2HD2 ASN 67 10.278 -6.048 -2.544 497 HD22 ASN 67 1HD2 ASN 67 11.666 -5.333 -3.284 498 H PHE 68 H PHE 68 5.980 -2.622 -2.190 499 HA PHE 68 HA PHE 68 3.912 -4.416 -2.160 500 HB2 PHE 68 1HB PHE 68 2.720 -2.955 -0.778 501 HB3 PHE 68 2HB PHE 68 4.375 -2.411 -0.561 502 HD1 PHE 68 HD1 PHE 68 5.115 -0.390 -2.165 503 HD2 PHE 68 HD2 PHE 68 1.056 -1.349 -1.202 504 HE1 PHE 68 HE1 PHE 68 4.428 1.891 -2.754 505 HE2 PHE 68 HE2 PHE 68 0.386 0.941 -1.794 506 HZ PHE 68 HZ PHE 68 2.070 2.556 -2.568 507 H ALA 69 H ALA 69 4.186 -1.585 -4.341 508 HA ALA 69 HA ALA 69 1.669 -1.487 -5.418 509 HB1 ALA 69 3HB ALA 69 4.264 -1.031 -6.913 510 HB2 ALA 69 1HB ALA 69 3.436 0.149 -5.898 511 HB3 ALA 69 2HB ALA 69 2.676 -0.423 -7.382 512 H SER 70 H SER 70 4.114 -3.951 -6.043 513 HA SER 70 HA SER 70 2.768 -5.173 -8.256 514 HB2 SER 70 1HB SER 70 4.768 -6.373 -6.285 515 HB3 SER 70 2HB SER 70 4.307 -7.069 -7.841 516 HG SER 70 HG SER 70 6.294 -5.874 -7.892 517 H ASP 71 H ASP 71 2.950 -5.901 -4.731 518 HA ASP 71 HA ASP 71 1.178 -8.135 -4.864 519 HB2 ASP 71 1HB ASP 71 3.008 -7.894 -3.167 520 HB3 ASP 71 2HB ASP 71 2.070 -6.629 -2.371 521 H ALA 72 H ALA 72 0.692 -4.976 -3.179 522 HA ALA 72 HA ALA 72 -1.940 -4.942 -2.593 523 HB1 ALA 72 3HB ALA 72 -0.421 -3.047 -2.160 524 HB2 ALA 72 1HB ALA 72 -1.939 -2.500 -2.878 525 HB3 ALA 72 2HB ALA 72 -0.478 -2.603 -3.867 526 H THR 73 H THR 73 -0.655 -4.464 -5.847 527 HA THR 73 HA THR 73 -3.244 -4.094 -7.113 528 HB THR 73 HB THR 73 -0.513 -4.655 -8.349 529 HG1 THR 73 HG1 THR 73 -0.643 -2.629 -7.358 530 HG21 THR 73 3HG2 THR 73 -1.501 -3.895 -10.497 531 HG22 THR 73 1HG2 THR 73 -3.089 -3.796 -9.740 532 HG23 THR 73 2HG2 THR 73 -2.295 -5.362 -9.923 533 H ARG 74 H ARG 74 -1.005 -6.784 -6.576 534 HA ARG 74 HA ARG 74 -2.137 -8.705 -8.300 535 HB2 ARG 74 1HB ARG 74 0.130 -8.937 -7.376 536 HB3 ARG 74 2HB ARG 74 -0.518 -9.098 -5.746 537 HG2 ARG 74 1HG ARG 74 -1.531 -11.238 -6.316 538 HG3 ARG 74 2HG ARG 74 -1.038 -11.066 -8.002 539 HD2 ARG 74 1HD ARG 74 0.459 -12.602 -6.841 540 HD3 ARG 74 2HD ARG 74 1.336 -11.141 -7.306 541 HE ARG 74 HE ARG 74 0.484 -10.691 -4.715 542 HH11 ARG 74 1HH1 ARG 74 2.585 -13.026 -6.299 543 HH12 ARG 74 2HH1 ARG 74 3.505 -13.339 -4.866 544 HH21 ARG 74 1HH2 ARG 74 1.722 -11.119 -2.869 545 HH22 ARG 74 2HH2 ARG 74 3.022 -12.272 -2.943 546 H VAL 75 H VAL 75 -2.659 -8.152 -4.819 547 HA VAL 75 HA VAL 75 -4.541 -10.169 -4.306 548 HB VAL 75 HB VAL 75 -4.344 -7.462 -2.904 549 HG11 VAL 75 1HG1 VAL 75 -5.432 -10.107 -1.865 550 HG12 VAL 75 2HG1 VAL 75 -6.385 -8.686 -2.287 551 HG13 VAL 75 3HG1 VAL 75 -5.270 -8.621 -0.924 552 HG21 VAL 75 3HG2 VAL 75 -2.807 -8.539 -1.290 553 HG22 VAL 75 1HG2 VAL 75 -2.135 -8.520 -2.920 554 HG23 VAL 75 2HG2 VAL 75 -2.813 -10.009 -2.267 555 H ALA 76 H ALA 76 -4.857 -6.841 -5.482 556 HA ALA 76 HA ALA 76 -7.677 -6.560 -5.284 557 HB1 ALA 76 3HB ALA 76 -6.168 -4.629 -5.391 558 HB2 ALA 76 1HB ALA 76 -7.313 -4.574 -6.734 559 HB3 ALA 76 2HB ALA 76 -5.649 -5.092 -7.010 560 H GLN 77 H GLN 77 -5.480 -7.572 -7.904 561 HA GLN 77 HA GLN 77 -7.584 -7.677 -9.877 562 HB2 GLN 77 1HB GLN 77 -5.877 -8.378 -11.485 563 HB3 GLN 77 2HB GLN 77 -5.354 -6.969 -10.582 564 HG2 GLN 77 1HG GLN 77 -3.421 -8.258 -10.748 565 HG3 GLN 77 2HG GLN 77 -4.009 -8.605 -9.127 566 HE21 GLN 77 2HE2 GLN 77 -2.932 -10.570 -8.976 567 HE22 GLN 77 1HE2 GLN 77 -3.355 -11.962 -9.904 568 H LYS 78 H LYS 78 -5.988 -9.995 -7.762 569 HA LYS 78 HA LYS 78 -6.992 -12.380 -8.763 570 HB2 LYS 78 1HB LYS 78 -6.362 -11.456 -5.950 571 HB3 LYS 78 2HB LYS 78 -6.979 -13.079 -6.245 572 HG2 LYS 78 1HG LYS 78 -5.033 -13.583 -7.661 573 HG3 LYS 78 2HG LYS 78 -4.417 -11.943 -7.419 574 HD2 LYS 78 1HD LYS 78 -4.131 -12.346 -5.031 575 HD3 LYS 78 2HD LYS 78 -4.902 -13.929 -5.164 576 HE2 LYS 78 1HE LYS 78 -3.018 -14.703 -6.585 577 HE3 LYS 78 2HE LYS 78 -2.248 -13.124 -6.407 578 HZ1 LYS 78 3HZ LYS 78 -1.375 -14.811 -4.874 579 HZ2 LYS 78 1HZ LYS 78 -2.901 -14.943 -4.158 580 HZ3 LYS 78 2HZ LYS 78 -2.045 -13.492 -4.061 581 H HIS 79 H HIS 79 -8.594 -10.053 -6.524 582 HA HIS 79 HA HIS 79 -10.957 -11.698 -6.230 583 HB2 HIS 79 1HB HIS 79 -10.455 -8.778 -5.524 584 HB3 HIS 79 2HB HIS 79 -11.939 -9.641 -5.133 585 HD1 HIS 79 HD1 HIS 79 -8.630 -8.909 -3.823 586 HD2 HIS 79 HD2 HIS 79 -11.458 -11.915 -3.312 587 HE1 HIS 79 HE1 HIS 79 -7.988 -10.084 -1.705 588 HE2 HIS 79 HE2 HIS 79 -9.662 -11.946 -1.453 589 H GLY 80 H GLY 80 -10.203 -8.732 -8.215 590 HA2 GLY 80 1HA GLY 80 -10.709 -9.867 -10.569 591 HA3 GLY 80 2HA GLY 80 -12.341 -9.486 -10.024 592 H LEU 81 H LEU 81 -9.162 -8.106 -10.728 593 HA LEU 81 HA LEU 81 -10.444 -5.605 -11.596 594 HB2 LEU 81 1HB LEU 81 -9.562 -5.227 -9.261 595 HB3 LEU 81 2HB LEU 81 -7.952 -5.621 -9.838 596 HG LEU 81 HG LEU 81 -8.094 -3.661 -11.431 597 HD11 LEU 81 1HD1 LEU 81 -9.825 -1.949 -11.072 598 HD12 LEU 81 2HD1 LEU 81 -10.662 -3.022 -9.951 599 HD13 LEU 81 3HD1 LEU 81 -10.498 -3.468 -11.652 600 HD21 LEU 81 3HD2 LEU 81 -8.382 -2.912 -8.505 601 HD22 LEU 81 1HD2 LEU 81 -7.682 -1.908 -9.776 602 HD23 LEU 81 2HD2 LEU 81 -6.893 -3.411 -9.305 603 H HIS 82 H HIS 82 -9.294 -4.455 -13.112 604 HA HIS 82 HA HIS 82 -6.721 -5.067 -14.073 605 HB2 HIS 82 1HB HIS 82 -7.952 -7.004 -15.115 606 HB3 HIS 82 2HB HIS 82 -8.949 -5.857 -16.004 607 HD1 HIS 82 HD1 HIS 82 -8.036 -5.095 -18.237 608 HD2 HIS 82 HD2 HIS 82 -5.089 -6.790 -15.836 609 HE1 HIS 82 HE1 HIS 82 -5.990 -5.264 -19.684 610 HE2 HIS 82 HE2 HIS 82 -4.237 -6.320 -18.231 611 HA PRO 83 HA PRO 83 -9.932 -2.094 -17.180 612 HB2 PRO 83 1HB PRO 83 -9.988 -0.561 -14.563 613 HB3 PRO 83 2HB PRO 83 -11.140 -0.509 -15.905 614 HG2 PRO 83 1HG PRO 83 -11.324 -2.192 -13.630 615 HG3 PRO 83 2HG PRO 83 -12.270 -2.359 -15.123 616 HD2 PRO 83 1HD PRO 83 -10.432 -4.248 -14.209 617 HD3 PRO 83 2HD PRO 83 -10.945 -4.096 -15.905 618 H LYS 84 H LYS 84 -9.110 0.719 -15.774 619 HA LYS 84 HA LYS 84 -6.854 1.190 -17.522 620 HB2 LYS 84 1HB LYS 84 -8.322 3.023 -15.594 621 HB3 LYS 84 2HB LYS 84 -7.095 3.552 -16.743 622 HG2 LYS 84 1HG LYS 84 -8.553 2.855 -18.616 623 HG3 LYS 84 2HG LYS 84 -9.779 2.325 -17.457 624 HD2 LYS 84 1HD LYS 84 -9.916 4.660 -16.587 625 HD3 LYS 84 2HD LYS 84 -8.762 5.167 -17.824 626 HE2 LYS 84 1HE LYS 84 -10.374 4.487 -19.577 627 HE3 LYS 84 2HE LYS 84 -11.524 4.000 -18.330 628 HZ1 LYS 84 3HZ LYS 84 -10.473 6.746 -18.735 629 HZ2 LYS 84 1HZ LYS 84 -11.589 6.283 -17.548 630 HZ3 LYS 84 2HZ LYS 84 -12.008 6.205 -19.187 631 H PHE 85 H PHE 85 -7.094 -0.025 -14.418 632 HA PHE 85 HA PHE 85 -5.011 1.470 -13.089 633 HB2 PHE 85 1HB PHE 85 -6.261 -1.200 -12.296 634 HB3 PHE 85 2HB PHE 85 -5.326 -0.133 -11.251 635 HD1 PHE 85 HD2 PHE 85 -6.317 2.019 -10.453 636 HD2 PHE 85 HD1 PHE 85 -8.606 -0.744 -12.777 637 HE1 PHE 85 HE2 PHE 85 -8.392 3.157 -9.772 638 HE2 PHE 85 HE1 PHE 85 -10.671 0.408 -12.102 639 HZ PHE 85 HZ PHE 85 -10.571 2.356 -10.594 640 H GLY 86 H GLY 86 -5.328 -1.900 -14.218 641 HA2 GLY 86 1HA GLY 86 -3.852 -3.550 -14.766 642 HA3 GLY 86 2HA GLY 86 -3.116 -2.280 -15.726 643 H ALA 87 H ALA 87 -1.003 -2.190 -15.417 644 HA ALA 87 HA ALA 87 0.171 -2.599 -12.725 645 HB1 ALA 87 3HB ALA 87 2.190 -3.442 -13.869 646 HB2 ALA 87 1HB ALA 87 1.409 -3.227 -15.436 647 HB3 ALA 87 2HB ALA 87 0.786 -4.418 -14.294 648 H ILE 88 H ILE 88 2.113 -1.342 -12.329 649 HA ILE 88 HA ILE 88 1.937 1.410 -13.052 650 HB ILE 88 HB ILE 88 4.008 1.723 -11.731 651 HG12 ILE 88 1HG1 ILE 88 4.134 -1.338 -11.536 652 HG13 ILE 88 2HG1 ILE 88 5.243 -0.341 -12.467 653 HG21 ILE 88 1HG2 ILE 88 1.860 1.552 -10.529 654 HG22 ILE 88 2HG2 ILE 88 3.173 0.901 -9.550 655 HG23 ILE 88 3HG2 ILE 88 2.065 -0.197 -10.375 656 HD11 ILE 88 3HD1 ILE 88 4.946 -0.334 -9.463 657 HD12 ILE 88 1HD1 ILE 88 6.065 0.674 -10.390 658 HD13 ILE 88 2HD1 ILE 88 6.240 -1.081 -10.396 659 H THR 89 H THR 89 3.681 -1.281 -14.403 660 HA THR 89 HA THR 89 5.491 0.223 -16.068 661 HB THR 89 HB THR 89 5.817 -2.031 -17.220 662 HG1 THR 89 HG1 THR 89 4.655 -3.509 -15.267 663 HG21 THR 89 3HG2 THR 89 7.296 -1.364 -15.365 664 HG22 THR 89 1HG2 THR 89 6.978 -3.099 -15.314 665 HG23 THR 89 2HG2 THR 89 6.147 -2.017 -14.197 666 H ARG 90 H ARG 90 2.244 -1.142 -16.394 667 HA ARG 90 HA ARG 90 2.033 -0.924 -19.240 668 HB2 ARG 90 1HB ARG 90 0.607 -2.470 -17.902 669 HB3 ARG 90 2HB ARG 90 -0.183 -1.094 -17.141 670 HG2 ARG 90 1HG ARG 90 -1.589 -2.082 -18.894 671 HG3 ARG 90 2HG ARG 90 -1.147 -0.423 -19.303 672 HD2 ARG 90 1HD ARG 90 -1.015 -1.965 -21.256 673 HD3 ARG 90 2HD ARG 90 0.540 -1.213 -20.886 674 HE ARG 90 HE ARG 90 0.129 -3.813 -19.676 675 HH11 ARG 90 1HH1 ARG 90 1.397 -2.147 -22.490 676 HH12 ARG 90 2HH1 ARG 90 2.423 -3.465 -22.958 677 HH21 ARG 90 1HH2 ARG 90 1.455 -5.544 -20.305 678 HH22 ARG 90 2HH2 ARG 90 2.460 -5.396 -21.715 679 H VAL 91 H VAL 91 0.479 0.925 -16.623 680 HA VAL 91 HA VAL 91 0.563 3.395 -18.259 681 HB VAL 91 HB VAL 91 -1.537 4.135 -17.100 682 HG11 VAL 91 1HG1 VAL 91 -1.738 3.136 -19.340 683 HG12 VAL 91 2HG1 VAL 91 -3.142 2.720 -18.357 684 HG13 VAL 91 3HG1 VAL 91 -1.871 1.524 -18.634 685 HG21 VAL 91 3HG2 VAL 91 -2.941 2.485 -15.864 686 HG22 VAL 91 1HG2 VAL 91 -1.396 2.759 -15.055 687 HG23 VAL 91 2HG2 VAL 91 -1.649 1.290 -15.998 688 H HIS 92 H HIS 92 1.172 5.265 -17.132 689 HA HIS 92 HA HIS 92 2.611 4.951 -14.664 690 HB2 HIS 92 1HB HIS 92 1.933 7.402 -16.329 691 HB3 HIS 92 2HB HIS 92 2.767 7.527 -14.786 692 HD1 HIS 92 HD1 HIS 92 4.308 8.595 -17.043 693 HD2 HIS 92 HD2 HIS 92 4.433 4.549 -16.089 694 HE1 HIS 92 HE1 HIS 92 6.473 7.743 -17.984 695 HE2 HIS 92 HE2 HIS 92 6.465 5.277 -17.509 696 H LYS 93 H LYS 93 1.191 4.169 -13.200 697 HA LYS 93 HA LYS 93 -1.350 5.484 -12.579 698 HB2 LYS 93 1HB LYS 93 -1.163 3.009 -12.919 699 HB3 LYS 93 2HB LYS 93 -0.078 2.906 -11.541 700 HG2 LYS 93 1HG LYS 93 -1.888 3.528 -10.018 701 HG3 LYS 93 2HG LYS 93 -2.975 3.816 -11.375 702 HD2 LYS 93 1HD LYS 93 -3.377 1.621 -10.214 703 HD3 LYS 93 2HD LYS 93 -3.031 1.461 -11.933 704 HE2 LYS 93 1HE LYS 93 -0.636 0.907 -11.320 705 HE3 LYS 93 2HE LYS 93 -1.137 0.889 -9.628 706 HZ1 LYS 93 3HZ LYS 93 -2.703 -0.878 -10.172 707 HZ2 LYS 93 1HZ LYS 93 -1.118 -1.326 -10.552 708 HZ3 LYS 93 2HZ LYS 93 -2.185 -0.868 -11.784 709 H GLU 94 H GLU 94 0.884 7.046 -12.001 710 HA GLU 94 HA GLU 94 1.702 8.484 -10.486 711 HB2 GLU 94 1HB GLU 94 -0.798 7.628 -8.967 712 HB3 GLU 94 2HB GLU 94 0.203 9.008 -8.510 713 HG2 GLU 94 1HG GLU 94 -0.278 10.116 -10.634 714 HG3 GLU 94 2HG GLU 94 -1.185 8.718 -11.198 715 H TYR 95 H TYR 95 2.537 5.625 -10.307 716 HA TYR 95 HA TYR 95 3.076 4.887 -7.640 717 HB2 TYR 95 1HB TYR 95 3.188 3.182 -9.337 718 HB3 TYR 95 2HB TYR 95 4.376 4.083 -10.267 719 HD1 TYR 95 HD2 TYR 95 3.933 2.290 -6.995 720 HD2 TYR 95 HD1 TYR 95 6.719 3.673 -9.931 721 HE1 TYR 95 HE2 TYR 95 5.753 1.109 -5.839 722 HE2 TYR 95 HE1 TYR 95 8.532 2.496 -8.761 723 HH TYR 95 HH TYR 95 7.930 0.198 -6.307 724 H ASP 96 H ASP 96 5.178 6.466 -10.089 725 HA ASP 96 HA ASP 96 7.443 6.835 -8.567 726 HB2 ASP 96 1HB ASP 96 7.323 7.250 -10.990 727 HB3 ASP 96 2HB ASP 96 6.307 8.658 -10.723 728 H ALA 97 H ALA 97 4.526 8.863 -8.601 729 HA ALA 97 HA ALA 97 5.448 10.888 -6.804 730 HB1 ALA 97 3HB ALA 97 2.605 9.991 -7.416 731 HB2 ALA 97 1HB ALA 97 3.512 11.219 -8.299 732 HB3 ALA 97 2HB ALA 97 3.059 11.498 -6.615 733 H MET 98 H MET 98 3.463 7.985 -6.349 734 HA MET 98 HA MET 98 3.220 7.941 -3.587 735 HB2 MET 98 1HB MET 98 1.918 6.527 -5.100 736 HB3 MET 98 2HB MET 98 3.360 5.648 -5.574 737 HG2 MET 98 1HG MET 98 3.469 4.496 -3.506 738 HG3 MET 98 2HG MET 98 2.356 5.622 -2.725 739 HE1 MET 98 3HE MET 98 0.971 2.609 -5.971 740 HE2 MET 98 1HE MET 98 2.649 2.729 -5.447 741 HE3 MET 98 2HE MET 98 1.906 4.053 -6.348 742 H PHE 99 H PHE 99 5.918 6.952 -5.541 743 HA PHE 99 HA PHE 99 7.299 5.320 -3.648 744 HB2 PHE 99 1HB PHE 99 7.607 5.165 -6.141 745 HB3 PHE 99 2HB PHE 99 8.413 6.727 -6.119 746 HD1 PHE 99 HD1 PHE 99 10.696 6.944 -5.020 747 HD2 PHE 99 HD2 PHE 99 8.789 3.145 -5.516 748 HE1 PHE 99 HE1 PHE 99 12.847 5.807 -4.639 749 HE2 PHE 99 HE2 PHE 99 10.943 2.027 -5.140 750 HZ PHE 99 HZ PHE 99 12.969 3.347 -4.700 751 H GLU 100 H GLU 100 7.933 8.609 -4.912 752 HA GLU 100 HA GLU 100 9.996 9.301 -3.159 753 HB2 GLU 100 1HB GLU 100 9.624 11.623 -3.829 754 HB3 GLU 100 2HB GLU 100 9.596 10.532 -5.214 755 HG2 GLU 100 1HG GLU 100 7.177 10.634 -5.329 756 HG3 GLU 100 2HG GLU 100 7.093 11.578 -3.845 757 H ASP 101 H ASP 101 6.534 9.455 -2.681 758 HA ASP 101 HA ASP 101 6.491 11.076 -0.344 759 HB2 ASP 101 1HB ASP 101 4.459 10.630 -1.683 760 HB3 ASP 101 2HB ASP 101 4.565 8.913 -1.304 761 H ILE 102 H ILE 102 6.315 7.554 -0.779 762 HA ILE 102 HA ILE 102 6.410 6.812 1.919 763 HB ILE 102 HB ILE 102 7.071 5.231 -0.593 764 HG12 ILE 102 1HG1 ILE 102 4.587 5.291 1.193 765 HG13 ILE 102 2HG1 ILE 102 4.726 6.049 -0.388 766 HG21 ILE 102 1HG2 ILE 102 6.820 3.151 0.750 767 HG22 ILE 102 2HG2 ILE 102 6.732 4.119 2.223 768 HG23 ILE 102 3HG2 ILE 102 8.213 4.101 1.263 769 HD11 ILE 102 3HD1 ILE 102 4.935 3.849 -1.428 770 HD12 ILE 102 1HD1 ILE 102 3.456 3.989 -0.478 771 HD13 ILE 102 2HD1 ILE 102 4.827 3.085 0.162 772 H ARG 103 H ARG 103 9.168 7.174 -0.404 773 HA ARG 103 HA ARG 103 11.138 6.085 1.321 774 HB2 ARG 103 1HB ARG 103 12.817 7.070 -0.187 775 HB3 ARG 103 2HB ARG 103 11.529 6.296 -1.088 776 HG2 ARG 103 1HG ARG 103 11.792 8.199 -2.354 777 HG3 ARG 103 2HG ARG 103 10.546 8.743 -1.238 778 HD2 ARG 103 1HD ARG 103 12.487 9.687 0.187 779 HD3 ARG 103 2HD ARG 103 13.492 9.435 -1.246 780 HE ARG 103 HE ARG 103 11.029 10.949 -1.634 781 HH11 ARG 103 1HH1 ARG 103 14.511 11.161 -1.176 782 HH12 ARG 103 2HH1 ARG 103 14.567 12.831 -1.640 783 HH21 ARG 103 1HH2 ARG 103 11.139 13.118 -2.232 784 HH22 ARG 103 2HH2 ARG 103 12.668 13.931 -2.250 785 H ALA 104 H ALA 104 9.711 9.259 1.096 786 HA ALA 104 HA ALA 104 11.568 10.651 2.778 787 HB1 ALA 104 3HB ALA 104 8.712 11.349 2.010 788 HB2 ALA 104 1HB ALA 104 10.165 11.835 1.134 789 HB3 ALA 104 2HB ALA 104 9.874 12.441 2.765 790 H LYS 105 H LYS 105 8.340 9.168 3.280 791 HA LYS 105 HA LYS 105 7.987 9.589 5.974 792 HB2 LYS 105 1HB LYS 105 6.690 8.055 3.987 793 HB3 LYS 105 2HB LYS 105 7.108 6.867 5.199 794 HG2 LYS 105 1HG LYS 105 4.919 7.603 5.733 795 HG3 LYS 105 2HG LYS 105 5.986 8.351 6.924 796 HD2 LYS 105 1HD LYS 105 4.249 9.913 6.033 797 HD3 LYS 105 2HD LYS 105 5.898 10.483 5.746 798 HE2 LYS 105 1HE LYS 105 5.824 9.680 3.456 799 HE3 LYS 105 2HE LYS 105 4.221 8.983 3.710 800 HZ1 LYS 105 3HZ LYS 105 4.936 11.863 3.704 801 HZ2 LYS 105 1HZ LYS 105 3.421 11.285 4.161 802 HZ3 LYS 105 2HZ LYS 105 3.971 11.053 2.583 803 H LEU 106 H LEU 106 9.703 6.861 4.433 804 HA LEU 106 HA LEU 106 10.244 5.498 6.839 805 HB2 LEU 106 1HB LEU 106 11.288 5.240 4.022 806 HB3 LEU 106 2HB LEU 106 12.170 4.421 5.293 807 HG LEU 106 HG LEU 106 10.622 2.897 4.142 808 HD11 LEU 106 1HD1 LEU 106 11.147 2.417 6.466 809 HD12 LEU 106 2HD1 LEU 106 9.500 1.927 6.090 810 HD13 LEU 106 3HD1 LEU 106 9.789 3.406 7.010 811 HD21 LEU 106 3HD2 LEU 106 8.905 4.482 3.469 812 HD22 LEU 106 1HD2 LEU 106 8.389 4.678 5.144 813 HD23 LEU 106 2HD2 LEU 106 8.199 3.122 4.330 814 H HIS 107 H HIS 107 12.153 7.731 4.870 815 HA HIS 107 HA HIS 107 14.442 8.056 6.418 816 HB2 HIS 107 1HB HIS 107 14.082 9.011 4.159 817 HB3 HIS 107 2HB HIS 107 12.887 10.124 4.802 818 HD1 HIS 107 HD1 HIS 107 14.394 11.968 3.660 819 HD2 HIS 107 HD2 HIS 107 16.141 10.072 6.909 820 HE1 HIS 107 HE1 HIS 107 16.432 13.321 4.220 821 HE2 HIS 107 HE2 HIS 107 17.519 12.101 6.132 822 H ALA 108 H ALA 108 11.182 9.271 6.915 823 HA ALA 108 HA ALA 108 10.071 10.243 8.605 824 HB1 ALA 108 3HB ALA 108 10.997 10.432 10.872 825 HB2 ALA 108 1HB ALA 108 12.616 10.065 10.263 826 HB3 ALA 108 2HB ALA 108 11.347 8.840 10.197 827 H HIS 109 H HIS 109 11.976 11.555 6.636 828 HA HIS 109 HA HIS 109 11.730 14.325 7.548 829 HB2 HIS 109 1HB HIS 109 14.358 13.079 6.609 830 HB3 HIS 109 2HB HIS 109 14.080 14.807 6.693 831 HD1 HIS 109 HD1 HIS 109 14.393 15.927 8.967 832 HD2 HIS 109 HD2 HIS 109 14.566 11.778 9.171 833 HE1 HIS 109 HE1 HIS 109 15.217 15.400 11.275 834 HE2 HIS 109 HE2 HIS 109 15.140 12.896 11.425 835 HA PRO 110 HA PRO 110 10.133 14.074 3.353 836 HB2 PRO 110 1HB PRO 110 9.555 16.968 3.454 837 HB3 PRO 110 2HB PRO 110 8.428 15.609 3.518 838 HG2 PRO 110 1HG PRO 110 8.903 17.207 5.675 839 HG3 PRO 110 2HG PRO 110 8.490 15.486 5.834 840 HD2 PRO 110 1HD PRO 110 11.216 16.792 5.930 841 HD3 PRO 110 2HD PRO 110 10.510 15.577 7.026 842 H GLY 111 H GLY 111 11.132 14.131 1.406 843 HA2 GLY 111 1HA GLY 111 13.606 15.611 0.999 844 HA3 GLY 111 2HA GLY 111 12.861 14.462 -0.104 845 H GLU 112 H GLU 112 12.401 17.702 1.242 846 HA GLU 112 HA GLU 112 10.472 18.596 -0.654 847 HB2 GLU 112 1HB GLU 112 10.754 20.797 0.472 848 HB3 GLU 112 2HB GLU 112 10.550 19.487 1.632 849 HG2 GLU 112 1HG GLU 112 12.948 19.484 2.121 850 HG3 GLU 112 2HG GLU 112 13.235 20.701 0.877 851 HA PRO 113 HA PRO 113 13.187 20.282 -3.897 852 HB2 PRO 113 1HB PRO 113 11.675 22.363 -4.866 853 HB3 PRO 113 2HB PRO 113 11.275 20.668 -5.176 854 HG2 PRO 113 1HG PRO 113 10.136 22.521 -3.084 855 HG3 PRO 113 2HG PRO 113 9.278 21.421 -4.187 856 HD2 PRO 113 1HD PRO 113 9.784 20.745 -1.609 857 HD3 PRO 113 2HD PRO 113 9.788 19.529 -2.905 858 H VAL 114 H VAL 114 14.723 21.885 -4.180 859 HA VAL 114 HA VAL 114 14.738 24.252 -2.423 860 HB VAL 114 HB VAL 114 16.039 22.493 -1.237 861 HG11 VAL 114 1HG1 VAL 114 17.868 22.422 -3.663 862 HG12 VAL 114 2HG1 VAL 114 16.792 21.132 -3.131 863 HG13 VAL 114 3HG1 VAL 114 18.165 21.600 -2.130 864 HG21 VAL 114 3HG2 VAL 114 18.128 23.759 -0.834 865 HG22 VAL 114 1HG2 VAL 114 16.731 24.835 -0.916 866 HG23 VAL 114 2HG2 VAL 114 17.837 24.719 -2.287 867 H ASP 115 H ASP 115 16.154 25.952 -3.202 868 HA ASP 115 HA ASP 115 16.435 25.905 -6.162 869 HB2 ASP 115 1HB ASP 115 15.834 28.276 -4.326 870 HB3 ASP 115 2HB ASP 115 15.989 28.355 -6.076 871 H LEU 116 H LEU 116 18.573 25.139 -4.203 872 HA LEU 116 HA LEU 116 20.348 27.364 -3.864 873 HB2 LEU 116 1HB LEU 116 21.973 25.752 -2.969 874 HB3 LEU 116 2HB LEU 116 20.389 25.588 -2.248 875 HG LEU 116 HG LEU 116 20.095 23.561 -3.909 876 HD11 LEU 116 1HD1 LEU 116 23.126 23.685 -3.861 877 HD12 LEU 116 2HD1 LEU 116 22.102 23.908 -5.278 878 HD13 LEU 116 3HD1 LEU 116 22.152 22.345 -4.471 879 HD21 LEU 116 3HD2 LEU 116 21.944 23.349 -1.507 880 HD22 LEU 116 1HD2 LEU 116 21.070 22.008 -2.257 881 HD23 LEU 116 2HD2 LEU 116 20.179 23.310 -1.475 882 H GLU 117 H GLU 117 19.982 24.971 -6.401 883 HA GLU 117 HA GLU 117 22.496 25.727 -7.707 884 HB2 GLU 117 1HB GLU 117 22.126 23.865 -9.160 885 HB3 GLU 117 2HB GLU 117 21.751 23.314 -7.540 886 HG2 GLU 117 1HG GLU 117 19.369 23.417 -8.000 887 HG3 GLU 117 2HG GLU 117 19.655 24.166 -9.569 888 H ARG 118 H ARG 118 19.523 27.085 -7.578 889 HA ARG 118 HA ARG 118 18.775 27.269 -10.355 890 HB2 ARG 118 1HB ARG 118 17.166 27.186 -8.420 891 HB3 ARG 118 2HB ARG 118 17.687 28.798 -7.955 892 HG2 ARG 118 1HG ARG 118 16.778 29.704 -10.069 893 HG3 ARG 118 2HG ARG 118 16.297 28.077 -10.560 894 HD2 ARG 118 1HD ARG 118 14.754 27.935 -8.654 895 HD3 ARG 118 2HD ARG 118 15.267 29.531 -8.098 896 HE ARG 118 HE ARG 118 14.359 29.913 -10.671 897 HH11 ARG 118 1HH1 ARG 118 12.914 28.605 -7.733 898 HH12 ARG 118 2HH1 ARG 118 11.329 29.203 -8.108 899 HH21 ARG 118 1HH2 ARG 118 12.267 30.688 -11.137 900 HH22 ARG 118 2HH2 ARG 118 10.966 30.388 -10.030 901 H ILE 119 H ILE 119 21.123 28.924 -8.605 902 HA ILE 119 HA ILE 119 20.673 31.570 -9.769 903 HB ILE 119 HB ILE 119 22.927 30.734 -7.870 904 HG12 ILE 119 1HG1 ILE 119 21.525 32.146 -6.163 905 HG13 ILE 119 2HG1 ILE 119 20.180 31.936 -7.276 906 HG21 ILE 119 1HG2 ILE 119 23.234 33.166 -7.492 907 HG22 ILE 119 2HG2 ILE 119 21.986 33.512 -8.693 908 HG23 ILE 119 3HG2 ILE 119 23.491 32.731 -9.182 909 HD11 ILE 119 3HD1 ILE 119 21.676 29.740 -5.851 910 HD12 ILE 119 1HD1 ILE 119 20.322 29.509 -6.958 911 HD13 ILE 119 2HD1 ILE 119 20.083 30.369 -5.439 912 H ILE 120 H ILE 120 20.954 30.237 -11.866 913 HA ILE 120 HA ILE 120 21.948 30.207 -13.896 914 HB ILE 120 HB ILE 120 23.741 32.459 -12.864 915 HG12 ILE 120 1HG1 ILE 120 20.818 32.718 -13.757 916 HG13 ILE 120 2HG1 ILE 120 21.386 32.876 -12.099 917 HG21 ILE 120 1HG2 ILE 120 22.494 32.034 -15.617 918 HG22 ILE 120 2HG2 ILE 120 24.184 31.743 -15.201 919 HG23 ILE 120 3HG2 ILE 120 23.539 33.384 -15.152 920 HD11 ILE 120 3HD1 ILE 120 22.663 34.877 -12.744 921 HD12 ILE 120 1HD1 ILE 120 20.939 35.040 -13.069 922 HD13 ILE 120 2HD1 ILE 120 22.055 34.721 -14.394 923 H ARG 121 H ARG 121 23.078 28.258 -12.089 924 HA ARG 121 HA ARG 121 25.958 28.302 -12.276 925 HB2 ARG 121 1HB ARG 121 26.022 26.203 -11.168 926 HB3 ARG 121 2HB ARG 121 24.702 27.092 -10.423 927 HG2 ARG 121 1HG ARG 121 23.048 25.695 -11.416 928 HG3 ARG 121 2HG ARG 121 24.184 25.041 -12.596 929 HD2 ARG 121 1HD ARG 121 25.421 23.917 -10.747 930 HD3 ARG 121 2HD ARG 121 24.220 24.517 -9.603 931 HE ARG 121 HE ARG 121 22.547 23.176 -10.924 932 HH11 ARG 121 1HH1 ARG 121 25.937 22.213 -11.011 933 HH12 ARG 121 2HH1 ARG 121 25.572 20.529 -11.199 934 HH21 ARG 121 1HH2 ARG 121 22.095 20.973 -11.176 935 HH22 ARG 121 2HH2 ARG 121 23.396 19.828 -11.292 936 H HIS 122 H HIS 122 27.263 27.464 -13.803 937 HA HIS 122 HA HIS 122 26.313 25.425 -15.690 938 HB2 HIS 122 1HB HIS 122 27.625 28.041 -16.592 939 HB3 HIS 122 2HB HIS 122 27.363 26.644 -17.632 940 HD1 HIS 122 HD1 HIS 122 25.776 29.731 -16.558 941 HD2 HIS 122 HD2 HIS 122 24.472 26.045 -17.962 942 HE1 HIS 122 HE1 HIS 122 23.403 30.088 -17.283 943 HE2 HIS 122 HE2 HIS 122 22.590 27.809 -17.963 944 H GLU 123 H GLU 123 27.825 23.869 -15.915 945 HA GLU 123 HA GLU 123 30.194 24.009 -14.265 946 HB2 GLU 123 1HB GLU 123 29.161 21.760 -16.047 947 HB3 GLU 123 2HB GLU 123 30.515 21.618 -14.935 948 HG2 GLU 123 1HG GLU 123 28.654 20.611 -13.861 949 HG3 GLU 123 2HG GLU 123 28.935 22.143 -13.044 950 H GLY 124 H GLY 124 29.477 24.303 -17.658 951 HA2 GLY 124 1HA GLY 124 32.259 25.089 -18.220 952 HA3 GLY 124 2HA GLY 124 31.555 23.795 -19.192 953 H SER 125 H SER 125 30.952 27.123 -18.104 954 HA SER 125 HA SER 125 28.922 27.698 -20.023 955 HB2 SER 125 1HB SER 125 29.211 30.073 -19.156 956 HB3 SER 125 2HB SER 125 28.887 28.865 -17.916 957 HG SER 125 HG SER 125 31.348 30.118 -18.549
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