NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22784 | 2jr1 | 15314 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 1H PHE 1 -10.784 8.505 -4.839 2 H2 PHE 1 2H PHE 1 -10.331 8.546 -3.270 3 HA PHE 1 HA PHE 1 -11.802 10.669 -4.732 4 HB2 PHE 1 1HB PHE 1 -10.968 10.471 -1.755 5 HB3 PHE 1 2HB PHE 1 -11.298 12.009 -2.498 6 HD1 PHE 1 HD1 PHE 1 -13.609 12.444 -3.605 7 HD2 PHE 1 HD2 PHE 1 -12.877 9.105 -0.981 8 HE1 PHE 1 HE1 PHE 1 -16.026 12.225 -3.196 9 HE2 PHE 1 HE2 PHE 1 -15.299 8.909 -0.573 10 HZ PHE 1 HZ PHE 1 -16.878 10.460 -1.681 11 H ASN 2 H ASN 2 -10.643 12.638 -4.971 12 HA ASN 2 HA ASN 2 -7.793 12.289 -5.764 13 HB2 ASN 2 1HB ASN 2 -9.438 13.725 -7.030 14 HB3 ASN 2 2HB ASN 2 -9.472 14.869 -5.698 15 HD21 ASN 2 1HD2 ASN 2 -7.578 13.666 -8.362 16 HD22 ASN 2 2HD2 ASN 2 -6.332 15.014 -8.236 17 H VAL 3 H VAL 3 -9.360 14.290 -3.214 18 HA VAL 3 HA VAL 3 -6.696 14.433 -1.732 19 HB VAL 3 HB VAL 3 -8.184 16.499 -2.076 20 HG11 VAL 3 1HG1 VAL 3 -10.401 15.607 -1.229 21 HG12 VAL 3 2HG1 VAL 3 -9.705 15.440 0.394 22 HG13 VAL 3 3HG1 VAL 3 -9.840 17.045 -0.352 23 HG21 VAL 3 3HG2 VAL 3 -7.066 15.870 0.718 24 HG22 VAL 3 1HG2 VAL 3 -6.144 16.466 -0.683 25 HG23 VAL 3 2HG2 VAL 3 -7.413 17.477 0.054 26 H LYS 4 H LYS 4 -6.335 12.990 -0.090 27 HA LYS 4 HA LYS 4 -8.062 11.465 1.310 28 HB2 LYS 4 1HB LYS 4 -8.581 10.387 -1.144 29 HB3 LYS 4 2HB LYS 4 -7.190 9.399 -0.790 30 HG2 LYS 4 1HG LYS 4 -9.812 9.676 0.816 31 HG3 LYS 4 2HG LYS 4 -9.314 8.310 -0.175 32 HD2 LYS 4 1HD LYS 4 -7.331 7.934 1.466 33 HD3 LYS 4 2HD LYS 4 -8.002 9.214 2.473 34 HE2 LYS 4 1HE LYS 4 -10.198 7.901 2.668 35 HE3 LYS 4 2HE LYS 4 -9.460 6.582 1.747 36 HZ1 LYS 4 3HZ LYS 4 -9.126 6.247 4.216 37 HZ2 LYS 4 1HZ LYS 4 -7.659 6.465 3.499 38 HZ3 LYS 4 2HZ LYS 4 -8.342 7.684 4.338 39 H GLN 5 H GLN 5 -6.601 11.568 2.841 40 HA GLN 5 HA GLN 5 -3.797 11.255 2.610 41 HB2 GLN 5 1HB GLN 5 -5.690 12.054 4.632 42 HB3 GLN 5 2HB GLN 5 -4.763 10.806 5.413 43 HG2 GLN 5 1HG GLN 5 -3.567 13.262 3.953 44 HG3 GLN 5 2HG GLN 5 -4.020 13.231 5.641 45 HE21 GLN 5 1HE2 GLN 5 -1.311 13.234 3.987 46 HE22 GLN 5 2HE2 GLN 5 -0.351 12.141 5.085 47 H LYS 6 H LYS 6 -2.503 9.825 4.284 48 HA LYS 6 HA LYS 6 -2.433 7.451 2.505 49 HB2 LYS 6 1HB LYS 6 -0.376 8.255 4.662 50 HB3 LYS 6 2HB LYS 6 -0.094 7.135 3.351 51 HG2 LYS 6 1HG LYS 6 -0.416 10.173 3.188 52 HG3 LYS 6 2HG LYS 6 1.033 9.209 3.054 53 HD2 LYS 6 1HD LYS 6 0.663 9.993 0.984 54 HD3 LYS 6 2HD LYS 6 0.307 8.320 0.834 55 HE2 LYS 6 1HE LYS 6 -2.200 8.813 0.744 56 HE3 LYS 6 2HE LYS 6 -1.929 10.453 1.224 57 HZ1 LYS 6 3HZ LYS 6 -0.408 9.529 -1.173 58 HZ2 LYS 6 1HZ LYS 6 -2.029 9.883 -1.374 59 HZ3 LYS 6 2HZ LYS 6 -0.956 11.021 -0.806 60 H SER 7 H SER 7 -1.692 5.329 3.154 61 HA SER 7 HA SER 7 -2.307 4.357 5.935 62 HB2 SER 7 1HB SER 7 -4.077 3.354 3.588 63 HB3 SER 7 2HB SER 7 -4.021 2.668 5.222 64 HG SER 7 HG SER 7 -4.339 5.385 5.268 65 H GLU 8 H GLU 8 -0.497 3.248 6.237 66 HA GLU 8 HA GLU 8 0.547 1.360 4.050 67 HB2 GLU 8 1HB GLU 8 2.220 2.599 6.283 68 HB3 GLU 8 2HB GLU 8 2.743 1.446 5.057 69 HG2 GLU 8 1HG GLU 8 2.073 3.146 3.229 70 HG3 GLU 8 2HG GLU 8 1.799 4.329 4.499 71 H ILE 9 H ILE 9 -0.117 -0.631 4.481 72 HA ILE 9 HA ILE 9 -0.461 -1.545 7.401 73 HB ILE 9 HB ILE 9 -2.135 -2.215 4.927 74 HG12 ILE 9 1HG1 ILE 9 -2.720 -0.017 5.635 75 HG13 ILE 9 2HG1 ILE 9 -4.020 -1.130 6.008 76 HG21 ILE 9 1HG2 ILE 9 -2.046 -4.242 6.328 77 HG22 ILE 9 2HG2 ILE 9 -2.583 -3.322 7.751 78 HG23 ILE 9 3HG2 ILE 9 -3.650 -3.519 6.321 79 HD11 ILE 9 3HD1 ILE 9 -2.040 0.093 8.055 80 HD12 ILE 9 1HD1 ILE 9 -3.745 0.496 7.837 81 HD13 ILE 9 2HD1 ILE 9 -3.298 -1.086 8.487 82 H THR 10 H THR 10 -0.025 -3.607 7.924 83 HA THR 10 HA THR 10 2.439 -4.640 6.643 84 HB THR 10 HB THR 10 0.897 -5.365 9.219 85 HG1 THR 10 HG1 THR 10 1.993 -3.228 8.765 86 HG21 THR 10 3HG2 THR 10 2.511 -7.251 8.803 87 HG22 THR 10 1HG2 THR 10 3.830 -6.070 8.556 88 HG23 THR 10 2HG2 THR 10 3.038 -6.222 10.144 89 H ALA 11 H ALA 11 2.872 -6.844 6.295 90 HA ALA 11 HA ALA 11 1.084 -8.077 4.491 91 HB1 ALA 11 3HB ALA 11 3.534 -9.371 5.854 92 HB2 ALA 11 1HB ALA 11 2.845 -9.804 4.269 93 HB3 ALA 11 2HB ALA 11 3.595 -8.235 4.481 94 H LEU 12 H LEU 12 0.086 -10.018 4.341 95 HA LEU 12 HA LEU 12 -0.994 -11.265 6.899 96 HB2 LEU 12 1HB LEU 12 -2.400 -9.267 5.950 97 HB3 LEU 12 2HB LEU 12 -2.694 -10.244 4.517 98 HG LEU 12 HG LEU 12 -3.848 -11.992 6.045 99 HD11 LEU 12 1HD1 LEU 12 -2.832 -11.351 8.272 100 HD12 LEU 12 2HD1 LEU 12 -3.547 -9.729 8.150 101 HD13 LEU 12 3HD1 LEU 12 -4.591 -11.155 8.325 102 HD21 LEU 12 3HD2 LEU 12 -5.121 -10.318 4.708 103 HD22 LEU 12 1HD2 LEU 12 -5.924 -10.638 6.257 104 HD23 LEU 12 2HD2 LEU 12 -5.006 -9.129 6.033 105 H VAL 13 H VAL 13 -1.920 -13.326 6.583 106 HA VAL 13 HA VAL 13 -0.771 -15.013 4.452 107 HB VAL 13 HB VAL 13 -2.116 -16.857 5.371 108 HG11 VAL 13 1HG1 VAL 13 -0.817 -17.174 7.421 109 HG12 VAL 13 2HG1 VAL 13 0.206 -16.349 6.235 110 HG13 VAL 13 3HG1 VAL 13 -0.503 -15.429 7.576 111 HG21 VAL 13 3HG2 VAL 13 -3.113 -14.950 7.591 112 HG22 VAL 13 1HG2 VAL 13 -4.119 -15.702 6.337 113 HG23 VAL 13 2HG2 VAL 13 -3.305 -16.714 7.548 114 H LYS 14 H LYS 14 -1.748 -16.049 2.795 115 HA LYS 14 HA LYS 14 -3.262 -14.212 1.266 116 HB2 LYS 14 1HB LYS 14 -1.472 -15.740 0.494 117 HB3 LYS 14 2HB LYS 14 -2.497 -17.137 0.729 118 HG2 LYS 14 1HG LYS 14 -2.403 -16.738 -1.615 119 HG3 LYS 14 2HG LYS 14 -4.036 -16.341 -1.098 120 HD2 LYS 14 1HD LYS 14 -3.187 -13.852 -0.940 121 HD3 LYS 14 2HD LYS 14 -1.767 -14.361 -1.811 122 HE2 LYS 14 1HE LYS 14 -2.929 -14.777 -3.850 123 HE3 LYS 14 2HE LYS 14 -4.454 -15.186 -3.050 124 HZ1 LYS 14 3HZ LYS 14 -4.595 -12.815 -2.223 125 HZ2 LYS 14 1HZ LYS 14 -3.379 -12.343 -3.197 126 HZ3 LYS 14 2HZ LYS 14 -4.776 -12.921 -3.889 127 H GLU 15 H GLU 15 -5.239 -14.011 0.410 128 HA GLU 15 HA GLU 15 -7.561 -15.573 1.364 129 HB2 GLU 15 1HB GLU 15 -8.905 -14.232 -0.127 130 HB3 GLU 15 2HB GLU 15 -7.967 -13.320 1.017 131 HG2 GLU 15 1HG GLU 15 -7.109 -13.613 -1.945 132 HG3 GLU 15 2HG GLU 15 -8.256 -12.417 -1.395 133 H VAL 16 H VAL 16 -8.334 -17.346 0.526 134 HA VAL 16 HA VAL 16 -7.932 -18.337 -2.209 135 HB VAL 16 HB VAL 16 -6.884 -20.436 -0.215 136 HG11 VAL 16 1HG1 VAL 16 -6.108 -19.926 -3.175 137 HG12 VAL 16 2HG1 VAL 16 -5.845 -21.396 -2.212 138 HG13 VAL 16 3HG1 VAL 16 -7.475 -20.939 -2.714 139 HG21 VAL 16 3HG2 VAL 16 -5.195 -18.670 0.246 140 HG22 VAL 16 1HG2 VAL 16 -4.496 -19.962 -0.732 141 HG23 VAL 16 2HG2 VAL 16 -4.933 -18.417 -1.492 142 H THR 17 H THR 17 -9.565 -19.926 -2.657 143 HA THR 17 HA THR 17 -11.877 -19.793 -0.938 144 HB THR 17 HB THR 17 -11.374 -21.617 -3.354 145 HG1 THR 17 HG1 THR 17 -13.056 -19.482 -3.467 146 HG21 THR 17 3HG2 THR 17 -13.873 -21.607 -3.600 147 HG22 THR 17 1HG2 THR 17 -13.404 -22.455 -2.122 148 HG23 THR 17 2HG2 THR 17 -14.050 -20.810 -2.016 149 HA PRO 18 HA PRO 18 -11.310 -24.100 0.991 150 HB2 PRO 18 1HB PRO 18 -9.242 -25.842 0.421 151 HB3 PRO 18 2HB PRO 18 -10.642 -25.638 -0.653 152 HG2 PRO 18 1HG PRO 18 -7.878 -24.301 -0.916 153 HG3 PRO 18 2HG PRO 18 -8.779 -25.185 -2.181 154 HD2 PRO 18 1HD PRO 18 -8.831 -22.397 -1.860 155 HD3 PRO 18 2HD PRO 18 -10.189 -23.281 -2.601 156 HA PRO 19 HA PRO 19 -8.568 -22.612 4.263 157 HB2 PRO 19 1HB PRO 19 -8.585 -24.634 6.164 158 HB3 PRO 19 2HB PRO 19 -10.011 -23.684 5.702 159 HG2 PRO 19 1HG PRO 19 -9.183 -26.439 4.581 160 HG3 PRO 19 2HG PRO 19 -10.751 -26.002 5.319 161 HD2 PRO 19 1HD PRO 19 -10.452 -25.944 2.588 162 HD3 PRO 19 2HD PRO 19 -11.389 -24.653 3.401 163 H ARG 20 H ARG 20 -6.950 -22.937 2.403 164 HA ARG 20 HA ARG 20 -4.388 -24.174 3.617 165 HB2 ARG 20 1HB ARG 20 -5.322 -25.428 1.668 166 HB3 ARG 20 2HB ARG 20 -5.235 -23.983 0.653 167 HG2 ARG 20 1HG ARG 20 -2.718 -23.933 0.940 168 HG3 ARG 20 2HG ARG 20 -2.782 -25.323 2.007 169 HD2 ARG 20 1HD ARG 20 -4.189 -25.846 -0.612 170 HD3 ARG 20 2HD ARG 20 -2.582 -25.279 -0.895 171 HE ARG 20 HE ARG 20 -3.382 -27.890 0.408 172 HH11 ARG 20 2HH2 ARG 20 -0.704 -25.747 -0.139 173 HH12 ARG 20 1HH2 ARG 20 0.511 -27.105 0.018 174 HH21 ARG 20 2HH1 ARG 20 -1.987 -29.404 0.577 175 HH22 ARG 20 1HH1 ARG 20 -0.209 -29.068 0.417 176 H LYS 21 H LYS 21 -3.530 -22.414 4.524 177 HA LYS 21 HA LYS 21 -3.626 -19.713 3.190 178 HB2 LYS 21 1HB LYS 21 -2.666 -20.594 5.976 179 HB3 LYS 21 2HB LYS 21 -2.620 -18.957 5.415 180 HG2 LYS 21 1HG LYS 21 -5.124 -20.633 5.967 181 HG3 LYS 21 2HG LYS 21 -4.504 -19.256 6.838 182 HD2 LYS 21 1HD LYS 21 -6.076 -18.084 5.716 183 HD3 LYS 21 2HD LYS 21 -4.848 -17.951 4.470 184 HE2 LYS 21 1HE LYS 21 -5.873 -20.065 3.341 185 HE3 LYS 21 2HE LYS 21 -7.114 -20.092 4.588 186 HZ1 LYS 21 3HZ LYS 21 -6.579 -17.756 2.738 187 HZ2 LYS 21 1HZ LYS 21 -7.830 -18.832 2.531 188 HZ3 LYS 21 2HZ LYS 21 -7.813 -17.818 3.832 189 H ALA 22 H ALA 22 -2.198 -19.632 1.571 190 HA ALA 22 HA ALA 22 0.651 -20.292 1.768 191 HB1 ALA 22 3HB ALA 22 -0.551 -20.088 -0.404 192 HB2 ALA 22 1HB ALA 22 -0.765 -18.340 -0.169 193 HB3 ALA 22 2HB ALA 22 0.859 -19.014 -0.372 194 HA PRO 23 HA PRO 23 1.882 -16.554 4.138 195 HB2 PRO 23 1HB PRO 23 4.618 -16.856 4.250 196 HB3 PRO 23 2HB PRO 23 3.480 -17.997 5.001 197 HG2 PRO 23 1HG PRO 23 4.811 -18.282 2.229 198 HG3 PRO 23 2HG PRO 23 4.846 -19.470 3.565 199 HD2 PRO 23 1HD PRO 23 2.974 -19.642 1.529 200 HD3 PRO 23 2HD PRO 23 2.528 -20.075 3.211 201 H SER 24 H SER 24 0.955 -15.453 2.221 202 HA SER 24 HA SER 24 2.568 -14.338 0.134 203 HB2 SER 24 1HB SER 24 0.641 -12.921 -0.445 204 HB3 SER 24 2HB SER 24 0.243 -14.615 -0.182 205 HG SER 24 HG SER 24 -0.026 -12.909 2.049 206 H LYS 25 H LYS 25 3.815 -12.633 -0.037 207 HA LYS 25 HA LYS 25 4.273 -10.659 2.205 208 HB2 LYS 25 1HB LYS 25 5.552 -10.902 -0.584 209 HB3 LYS 25 2HB LYS 25 5.805 -9.525 0.459 210 HG2 LYS 25 1HG LYS 25 7.661 -10.849 0.833 211 HG3 LYS 25 2HG LYS 25 6.707 -10.987 2.290 212 HD2 LYS 25 1HD LYS 25 6.051 -13.179 0.351 213 HD3 LYS 25 2HD LYS 25 7.766 -13.075 0.543 214 HE2 LYS 25 1HE LYS 25 5.767 -13.339 2.913 215 HE3 LYS 25 2HE LYS 25 6.485 -14.699 2.073 216 HZ1 LYS 25 3HZ LYS 25 8.111 -12.600 3.526 217 HZ2 LYS 25 1HZ LYS 25 7.868 -14.141 4.052 218 HZ3 LYS 25 2HZ LYS 25 8.753 -13.850 2.694 219 H ALA 26 H ALA 26 2.223 -9.851 2.354 220 HA ALA 26 HA ALA 26 0.985 -8.303 0.130 221 HB1 ALA 26 3HB ALA 26 -0.942 -8.088 1.734 222 HB2 ALA 26 1HB ALA 26 -0.445 -9.762 1.430 223 HB3 ALA 26 2HB ALA 26 -0.017 -8.974 2.944 224 H LYS 27 H LYS 27 1.326 -6.289 -0.203 225 HA LYS 27 HA LYS 27 1.948 -4.369 2.122 226 HB2 LYS 27 1HB LYS 27 3.499 -4.745 -0.510 227 HB3 LYS 27 2HB LYS 27 3.323 -3.145 0.133 228 HG2 LYS 27 1HG LYS 27 5.214 -3.622 1.210 229 HG3 LYS 27 2HG LYS 27 4.105 -4.073 2.454 230 HD2 LYS 27 1HD LYS 27 4.465 -6.509 0.935 231 HD3 LYS 27 2HD LYS 27 6.027 -5.728 0.820 232 HE2 LYS 27 1HE LYS 27 4.484 -6.380 3.443 233 HE3 LYS 27 2HE LYS 27 5.742 -7.393 2.747 234 HZ1 LYS 27 3HZ LYS 27 7.344 -5.443 3.014 235 HZ2 LYS 27 1HZ LYS 27 6.157 -4.544 3.680 236 HZ3 LYS 27 2HZ LYS 27 6.722 -5.866 4.482 237 H ARG 28 H ARG 28 0.704 -2.720 2.283 238 HA ARG 28 HA ARG 28 -1.191 -1.938 -0.010 239 HB2 ARG 28 1HB ARG 28 -1.911 -2.295 2.944 240 HB3 ARG 28 2HB ARG 28 -2.986 -1.628 1.727 241 HG2 ARG 28 1HG ARG 28 -2.918 -3.831 0.502 242 HG3 ARG 28 2HG ARG 28 -1.861 -4.511 1.732 243 HD2 ARG 28 1HD ARG 28 -3.591 -4.280 3.484 244 HD3 ARG 28 2HD ARG 28 -4.681 -3.399 2.382 245 HE ARG 28 HE ARG 28 -4.128 -5.779 0.926 246 HH11 ARG 28 2HH2 ARG 28 -5.556 -5.146 4.031 247 HH12 ARG 28 1HH2 ARG 28 -6.533 -6.692 3.970 248 HH21 ARG 28 2HH1 ARG 28 -5.193 -7.560 0.925 249 HH22 ARG 28 1HH1 ARG 28 -6.320 -7.982 2.277 250 H GLU 29 H GLU 29 -0.423 0.066 -0.463 251 HA GLU 29 HA GLU 29 0.359 1.973 1.780 252 HB2 GLU 29 1HB GLU 29 2.263 1.390 -0.586 253 HB3 GLU 29 2HB GLU 29 2.383 2.751 0.505 254 HG2 GLU 29 1HG GLU 29 3.888 1.444 1.562 255 HG3 GLU 29 2HG GLU 29 2.507 0.937 2.468 256 H ALA 30 H ALA 30 -0.175 4.031 1.346 257 HA ALA 30 HA ALA 30 -0.934 4.905 -1.458 258 HB1 ALA 30 3HB ALA 30 -1.024 6.339 1.242 259 HB2 ALA 30 1HB ALA 30 -1.475 7.081 -0.287 260 HB3 ALA 30 2HB ALA 30 -2.408 5.693 0.305 261 HA PRO 31 HA PRO 31 3.072 7.283 -1.709 262 HB2 PRO 31 1HB PRO 31 3.739 6.838 -4.268 263 HB3 PRO 31 2HB PRO 31 3.799 5.544 -3.063 264 HG2 PRO 31 1HG PRO 31 1.501 6.093 -5.058 265 HG3 PRO 31 2HG PRO 31 2.381 4.551 -4.856 266 HD2 PRO 31 1HD PRO 31 -0.032 5.157 -3.538 267 HD3 PRO 31 2HD PRO 31 1.191 4.044 -2.838 268 H ILE 32 H ILE 32 2.239 8.176 -4.825 269 HA ILE 32 HA ILE 32 1.039 10.768 -3.758 270 HB ILE 32 HB ILE 32 2.134 11.922 -5.661 271 HG12 ILE 32 1HG1 ILE 32 3.902 9.445 -5.991 272 HG13 ILE 32 2HG1 ILE 32 2.651 9.863 -7.137 273 HG21 ILE 32 1HG2 ILE 32 2.954 11.681 -3.213 274 HG22 ILE 32 2HG2 ILE 32 4.208 10.579 -3.834 275 HG23 ILE 32 3HG2 ILE 32 4.140 12.261 -4.383 276 HD11 ILE 32 3HD1 ILE 32 5.178 10.656 -7.538 277 HD12 ILE 32 1HD1 ILE 32 3.897 11.836 -7.911 278 HD13 ILE 32 2HD1 ILE 32 4.776 11.979 -6.449 279 H LYS 33 H LYS 33 -0.616 11.718 -4.597 280 HA LYS 33 HA LYS 33 -2.348 10.386 -6.624 281 HB2 LYS 33 1HB LYS 33 -3.086 11.809 -4.518 282 HB3 LYS 33 2HB LYS 33 -2.678 13.223 -5.458 283 HG2 LYS 33 1HG LYS 33 -5.045 12.860 -5.626 284 HG3 LYS 33 2HG LYS 33 -4.379 12.590 -7.204 285 HD2 LYS 33 1HD LYS 33 -6.124 10.896 -6.680 286 HD3 LYS 33 2HD LYS 33 -4.591 10.196 -7.085 287 HE2 LYS 33 1HE LYS 33 -5.566 8.917 -5.390 288 HE3 LYS 33 2HE LYS 33 -4.084 9.630 -4.749 289 HZ1 LYS 33 3HZ LYS 33 -5.665 10.010 -2.990 290 HZ2 LYS 33 1HZ LYS 33 -5.839 11.440 -3.802 291 HZ3 LYS 33 2HZ LYS 33 -6.947 10.288 -4.020 292 H TYR 34 H TYR 34 0.055 12.819 -6.793 293 HA TYR 34 HA TYR 34 -0.640 13.995 -9.437 294 HB2 TYR 34 1HB TYR 34 0.910 14.953 -7.585 295 HB3 TYR 34 2HB TYR 34 2.118 13.785 -8.062 296 HD1 TYR 34 HD1 TYR 34 -0.019 16.626 -9.374 297 HD2 TYR 34 HD2 TYR 34 3.660 14.418 -9.842 298 HE1 TYR 34 HE1 TYR 34 0.798 18.304 -10.967 299 HE2 TYR 34 HE2 TYR 34 4.474 16.130 -11.403 300 HH TYR 34 HH TYR 34 2.465 18.605 -12.684 301 H TRP 35 H TRP 35 1.174 11.099 -8.542 302 HA TRP 35 HA TRP 35 1.742 10.498 -11.489 303 HB2 TRP 35 1HB TRP 35 3.489 10.224 -9.411 304 HB3 TRP 35 2HB TRP 35 2.750 8.650 -9.262 305 HD1 TRP 35 HD1 TRP 35 5.392 10.632 -11.112 306 HE1 TRP 35 HE1 TRP 35 6.647 9.239 -12.955 307 HE3 TRP 35 HE3 TRP 35 2.099 6.705 -11.261 308 HZ2 TRP 35 HZ2 TRP 35 6.167 6.724 -14.189 309 HZ3 TRP 35 HZ3 TRP 35 2.574 4.810 -12.803 310 HH2 TRP 35 HH2 TRP 35 4.564 4.821 -14.236 311 H LEU 36 H LEU 36 0.144 8.890 -8.614 312 HA LEU 36 HA LEU 36 -1.184 6.974 -10.602 313 HB2 LEU 36 1HB LEU 36 -0.721 6.646 -7.578 314 HB3 LEU 36 2HB LEU 36 -1.626 5.517 -8.575 315 HG LEU 36 HG LEU 36 1.372 6.151 -8.943 316 HD11 LEU 36 1HD1 LEU 36 1.744 3.921 -7.889 317 HD12 LEU 36 2HD1 LEU 36 0.827 4.962 -6.793 318 HD13 LEU 36 3HD1 LEU 36 -0.005 3.681 -7.682 319 HD21 LEU 36 3HD2 LEU 36 1.421 4.160 -10.425 320 HD22 LEU 36 1HD2 LEU 36 -0.323 3.877 -10.214 321 HD23 LEU 36 2HD2 LEU 36 0.258 5.308 -11.094 322 HA PRO 37 HA PRO 37 -4.917 9.371 -9.472 323 HB2 PRO 37 1HB PRO 37 -6.917 7.880 -10.708 324 HB3 PRO 37 2HB PRO 37 -5.736 8.890 -11.560 325 HG2 PRO 37 1HG PRO 37 -5.523 5.858 -11.047 326 HG3 PRO 37 2HG PRO 37 -5.393 6.703 -12.615 327 HD2 PRO 37 1HD PRO 37 -3.140 6.023 -11.192 328 HD3 PRO 37 2HD PRO 37 -3.191 7.597 -12.055 329 H HIS 38 H HIS 38 -4.587 6.098 -8.445 330 HA HIS 38 HA HIS 38 -6.371 6.673 -6.000 331 HB2 HIS 38 1HB HIS 38 -7.116 4.775 -7.605 332 HB3 HIS 38 2HB HIS 38 -5.669 3.895 -7.158 333 HD1 HIS 38 HD1 HIS 38 -9.140 3.764 -6.384 334 HD2 HIS 38 HD2 HIS 38 -5.571 3.910 -4.009 335 HE1 HIS 38 HE1 HIS 38 -9.604 2.770 -4.046 336 HE2 HIS 38 HE2 HIS 38 -7.467 2.726 -2.571 337 H SER 39 H SER 39 -4.959 7.280 -4.399 338 HA SER 39 HA SER 39 -2.219 5.981 -4.133 339 HB2 SER 39 1HB SER 39 -1.711 7.564 -2.426 340 HB3 SER 39 2HB SER 39 -2.220 8.404 -3.881 341 HG SER 39 HG SER 39 -3.996 7.845 -1.711 342 H GLY 40 H GLY 40 -2.525 4.041 -3.338 343 HA2 GLY 40 1HA GLY 40 -2.852 3.046 -0.833 344 HA3 GLY 40 2HA GLY 40 -4.553 3.385 -1.150 345 H ALA 41 H ALA 41 -1.746 1.649 -2.338 346 HA ALA 41 HA ALA 41 -3.502 -0.049 -4.201 347 HB1 ALA 41 3HB ALA 41 -0.479 0.597 -4.272 348 HB2 ALA 41 1HB ALA 41 -1.366 -0.360 -5.475 349 HB3 ALA 41 2HB ALA 41 -1.756 1.351 -5.251 350 H THR 42 H THR 42 -3.944 -2.038 -3.552 351 HA THR 42 HA THR 42 -2.238 -3.493 -1.537 352 HB THR 42 HB THR 42 -4.564 -3.481 -1.085 353 HG1 THR 42 HG1 THR 42 -4.079 -6.089 -1.942 354 HG21 THR 42 3HG2 THR 42 -5.731 -3.483 -3.284 355 HG22 THR 42 1HG2 THR 42 -5.131 -5.107 -3.654 356 HG23 THR 42 2HG2 THR 42 -6.247 -4.853 -2.296 357 H TRP 43 H TRP 43 -0.613 -4.699 -2.132 358 HA TRP 43 HA TRP 43 -0.892 -6.492 -4.629 359 HB2 TRP 43 1HB TRP 43 0.806 -4.544 -4.796 360 HB3 TRP 43 2HB TRP 43 1.790 -5.379 -3.588 361 HD1 TRP 43 HD1 TRP 43 1.405 -8.523 -4.990 362 HE1 TRP 43 HE1 TRP 43 2.703 -9.096 -7.189 363 HE3 TRP 43 HE3 TRP 43 2.289 -3.671 -6.507 364 HZ2 TRP 43 HZ2 TRP 43 4.009 -7.555 -9.169 365 HZ3 TRP 43 HZ3 TRP 43 3.674 -3.320 -8.530 366 HH2 TRP 43 HH2 TRP 43 4.537 -5.228 -9.820 367 H SER 44 H SER 44 -1.398 -8.400 -3.768 368 HA SER 44 HA SER 44 0.094 -9.560 -1.364 369 HB2 SER 44 1HB SER 44 -1.602 -11.281 -1.356 370 HB3 SER 44 2HB SER 44 -2.439 -9.742 -1.514 371 HG SER 44 HG SER 44 -1.605 -11.077 -3.848 372 H GLY 45 H GLY 45 2.146 -10.096 -2.166 373 HA2 GLY 45 1HA GLY 45 2.762 -12.635 -3.136 374 HA3 GLY 45 2HA GLY 45 2.386 -11.859 -4.662 375 H ARG 46 H ARG 46 3.629 -9.861 -5.123 376 HA ARG 46 HA ARG 46 6.572 -10.372 -4.664 377 HB2 ARG 46 1HB ARG 46 5.744 -9.960 -6.926 378 HB3 ARG 46 2HB ARG 46 5.075 -8.402 -6.492 379 HG2 ARG 46 1HG ARG 46 8.091 -8.876 -6.127 380 HG3 ARG 46 2HG ARG 46 7.414 -8.720 -7.745 381 HD2 ARG 46 1HD ARG 46 6.388 -6.497 -7.164 382 HD3 ARG 46 2HD ARG 46 7.103 -6.572 -5.540 383 HE ARG 46 HE ARG 46 9.359 -7.009 -7.161 384 HH11 ARG 46 2HH2 ARG 46 6.946 -4.507 -7.247 385 HH12 ARG 46 1HH2 ARG 46 8.121 -3.314 -7.986 386 HH21 ARG 46 2HH1 ARG 46 10.641 -5.650 -8.016 387 HH22 ARG 46 1HH1 ARG 46 10.109 -3.955 -8.392 388 H GLY 47 H GLY 47 7.848 -9.112 -3.489 389 HA2 GLY 47 1HA GLY 47 6.687 -7.453 -1.297 390 HA3 GLY 47 2HA GLY 47 8.385 -7.791 -1.529 391 H LYS 48 H LYS 48 5.816 -5.890 -2.984 392 HA LYS 48 HA LYS 48 7.658 -3.688 -3.787 393 HB2 LYS 48 1HB LYS 48 5.816 -2.586 -4.750 394 HB3 LYS 48 2HB LYS 48 5.670 -4.289 -5.082 395 HG2 LYS 48 1HG LYS 48 3.515 -4.036 -4.553 396 HG3 LYS 48 2HG LYS 48 4.024 -4.239 -2.894 397 HD2 LYS 48 1HD LYS 48 4.174 -1.706 -2.636 398 HD3 LYS 48 2HD LYS 48 3.668 -1.502 -4.317 399 HE2 LYS 48 1HE LYS 48 1.464 -2.552 -3.860 400 HE3 LYS 48 2HE LYS 48 1.991 -3.073 -2.260 401 HZ1 LYS 48 3HZ LYS 48 2.086 -0.786 -1.508 402 HZ2 LYS 48 1HZ LYS 48 1.841 -0.158 -3.008 403 HZ3 LYS 48 2HZ LYS 48 0.617 -0.987 -2.248 404 H ILE 49 H ILE 49 8.524 -2.249 -2.363 405 HA ILE 49 HA ILE 49 6.639 -0.959 -0.310 406 HB ILE 49 HB ILE 49 9.691 -1.155 0.058 407 HG12 ILE 49 1HG1 ILE 49 8.848 -2.585 2.183 408 HG13 ILE 49 2HG1 ILE 49 7.430 -2.931 1.205 409 HG21 ILE 49 1HG2 ILE 49 9.194 -0.260 2.323 410 HG22 ILE 49 2HG2 ILE 49 8.498 0.836 1.128 411 HG23 ILE 49 3HG2 ILE 49 7.439 -0.281 2.002 412 HD11 ILE 49 3HD1 ILE 49 10.356 -3.556 0.377 413 HD12 ILE 49 1HD1 ILE 49 9.228 -4.714 1.109 414 HD13 ILE 49 2HD1 ILE 49 8.909 -4.080 -0.505 415 HA PRO 50 HA PRO 50 7.996 2.354 -3.296 416 HB2 PRO 50 1HB PRO 50 5.855 4.118 -3.072 417 HB3 PRO 50 2HB PRO 50 5.680 2.511 -3.808 418 HG2 PRO 50 1HG PRO 50 5.091 3.279 -0.870 419 HG3 PRO 50 2HG PRO 50 3.970 2.494 -2.008 420 HD2 PRO 50 1HD PRO 50 5.499 1.028 -0.215 421 HD3 PRO 50 2HD PRO 50 5.147 0.382 -1.843 422 H LYS 51 H LYS 51 9.094 2.300 -0.750 423 HA LYS 51 HA LYS 51 9.387 5.137 0.205 424 HB2 LYS 51 1HB LYS 51 10.317 2.457 1.217 425 HB3 LYS 51 2HB LYS 51 11.522 3.692 1.399 426 HG2 LYS 51 1HG LYS 51 10.154 3.600 3.407 427 HG3 LYS 51 2HG LYS 51 10.051 5.178 2.639 428 HD2 LYS 51 1HD LYS 51 7.799 4.335 1.542 429 HD3 LYS 51 2HD LYS 51 7.894 2.950 2.585 430 HE2 LYS 51 1HE LYS 51 7.260 4.117 4.493 431 HE3 LYS 51 2HE LYS 51 8.241 5.539 4.129 432 HZ1 LYS 51 3HZ LYS 51 5.604 4.847 2.868 433 HZ2 LYS 51 1HZ LYS 51 5.830 6.061 3.893 434 HZ3 LYS 51 2HZ LYS 51 6.454 6.137 2.359 435 HA PRO 52 HA PRO 52 13.536 5.451 -2.186 436 HB2 PRO 52 1HB PRO 52 14.044 3.749 -4.339 437 HB3 PRO 52 2HB PRO 52 14.592 3.471 -2.674 438 HG2 PRO 52 1HG PRO 52 12.074 2.314 -4.011 439 HG3 PRO 52 2HG PRO 52 13.340 1.419 -3.129 440 HD2 PRO 52 1HD PRO 52 10.993 2.165 -1.930 441 HD3 PRO 52 2HD PRO 52 12.507 2.194 -0.982 442 H PHE 53 H PHE 53 10.509 4.632 -3.622 443 HA PHE 53 HA PHE 53 10.666 6.627 -5.887 444 HB2 PHE 53 1HB PHE 53 9.322 4.639 -6.253 445 HB3 PHE 53 2HB PHE 53 8.395 4.887 -4.788 446 HD1 PHE 53 HD2 PHE 53 9.161 6.596 -8.105 447 HD2 PHE 53 HD1 PHE 53 6.363 6.176 -4.864 448 HE1 PHE 53 HE2 PHE 53 7.437 7.783 -9.428 449 HE2 PHE 53 HE1 PHE 53 4.677 7.381 -6.152 450 HZ PHE 53 HZ PHE 53 5.196 8.182 -8.466 451 H GLU 54 H GLU 54 8.660 6.409 -2.851 452 HA GLU 54 HA GLU 54 7.857 9.201 -2.932 453 HB2 GLU 54 1HB GLU 54 6.748 7.291 -1.701 454 HB3 GLU 54 2HB GLU 54 8.004 7.355 -0.471 455 HG2 GLU 54 1HG GLU 54 7.286 9.655 0.208 456 HG3 GLU 54 2HG GLU 54 6.228 9.785 -1.192 457 H ALA 55 H ALA 55 10.798 7.859 -1.674 458 HA ALA 55 HA ALA 55 11.767 10.264 -0.189 459 HB1 ALA 55 3HB ALA 55 13.997 9.088 -0.348 460 HB2 ALA 55 1HB ALA 55 12.743 8.057 0.350 461 HB3 ALA 55 2HB ALA 55 13.262 7.815 -1.332 462 H TRP 56 H TRP 56 12.520 8.968 -3.492 463 HA TRP 56 HA TRP 56 13.995 11.484 -4.204 464 HB2 TRP 56 1HB TRP 56 14.436 9.055 -5.123 465 HB3 TRP 56 2HB TRP 56 13.052 9.299 -6.174 466 HD1 TRP 56 HD1 TRP 56 16.578 10.940 -5.317 467 HE1 TRP 56 HE1 TRP 56 17.662 12.060 -7.436 468 HE3 TRP 56 HE3 TRP 56 12.595 10.244 -8.494 469 HZ2 TRP 56 HZ2 TRP 56 16.789 12.471 -10.109 470 HZ3 TRP 56 HZ3 TRP 56 12.819 11.007 -10.849 471 HH2 TRP 56 HH2 TRP 56 14.870 12.092 -11.640 472 H ILE 57 H ILE 57 10.684 10.293 -4.774 473 HA ILE 57 HA ILE 57 9.761 12.869 -6.020 474 HB ILE 57 HB ILE 57 8.416 10.452 -4.719 475 HG12 ILE 57 1HG1 ILE 57 9.289 10.013 -6.939 476 HG13 ILE 57 2HG1 ILE 57 7.557 9.892 -6.858 477 HG21 ILE 57 1HG2 ILE 57 6.676 12.653 -5.838 478 HG22 ILE 57 2HG2 ILE 57 6.269 11.034 -5.198 479 HG23 ILE 57 3HG2 ILE 57 6.890 12.260 -4.114 480 HD11 ILE 57 3HD1 ILE 57 7.321 12.143 -8.024 481 HD12 ILE 57 1HD1 ILE 57 9.091 12.279 -8.100 482 HD13 ILE 57 2HD1 ILE 57 8.260 10.979 -8.972 483 H GLY 58 H GLY 58 11.099 12.540 -3.035 484 HA2 GLY 58 1HA GLY 58 9.669 15.079 -2.083 485 HA3 GLY 58 2HA GLY 58 10.156 13.850 -0.929 486 H THR 59 H THR 59 12.847 13.507 -2.350 487 HA THR 59 HA THR 59 14.459 15.084 -0.771 488 HB THR 59 HB THR 59 15.251 14.398 -3.678 489 HG1 THR 59 HG1 THR 59 16.048 12.484 -2.637 490 HG21 THR 59 3HG2 THR 59 17.543 14.050 -2.741 491 HG22 THR 59 1HG2 THR 59 17.043 15.710 -2.414 492 HG23 THR 59 2HG2 THR 59 16.992 14.505 -1.112 493 H ALA 60 H ALA 60 13.380 16.158 -3.846 494 HA ALA 60 HA ALA 60 13.793 19.053 -3.016 495 HB1 ALA 60 3HB ALA 60 14.430 18.114 -5.899 496 HB2 ALA 60 1HB ALA 60 14.450 19.796 -5.321 497 HB3 ALA 60 2HB ALA 60 15.623 18.626 -4.682 498 H ALA 61 H ALA 61 11.916 16.817 -5.008 499 HA ALA 61 HA ALA 61 9.953 18.658 -6.047 500 HB1 ALA 61 3HB ALA 61 10.251 16.387 -6.935 501 HB2 ALA 61 1HB ALA 61 9.762 15.663 -5.387 502 HB3 ALA 61 2HB ALA 61 8.570 16.543 -6.371 503 H TYR 62 H TYR 62 10.065 17.424 -2.853 504 HA TYR 62 HA TYR 62 7.304 17.648 -1.968 505 HB2 TYR 62 1HB TYR 62 9.233 16.696 -0.619 506 HB3 TYR 62 2HB TYR 62 9.828 18.315 -0.358 507 HD1 TYR 62 HD1 TYR 62 6.467 16.431 0.049 508 HD2 TYR 62 HD2 TYR 62 9.334 19.142 1.795 509 HE1 TYR 62 HE1 TYR 62 5.122 16.553 2.101 510 HE2 TYR 62 HE2 TYR 62 8.000 19.202 3.854 511 HH TYR 62 HH TYR 62 4.941 17.421 4.182 512 H THR 63 H THR 63 9.640 20.354 -2.316 513 HA THR 63 HA THR 63 7.766 22.334 -1.166 514 HB THR 63 HB THR 63 10.186 22.690 -1.206 515 HG1 THR 63 HG1 THR 63 8.729 24.729 -2.520 516 HG21 THR 63 3HG2 THR 63 10.843 22.177 -3.596 517 HG22 THR 63 1HG2 THR 63 9.884 23.556 -4.165 518 HG23 THR 63 2HG2 THR 63 11.281 23.819 -3.101 519 H ALA 64 H ALA 64 8.071 21.067 -4.397 520 HA ALA 64 HA ALA 64 6.037 23.007 -5.580 521 HB1 ALA 64 3HB ALA 64 6.369 21.677 -7.680 522 HB2 ALA 64 1HB ALA 64 7.916 22.256 -7.039 523 HB3 ALA 64 2HB ALA 64 7.451 20.551 -6.826 524 H TRP 65 H TRP 65 6.287 19.612 -4.579 525 HA TRP 65 HA TRP 65 3.548 18.760 -5.099 526 HB2 TRP 65 1HB TRP 65 5.892 17.527 -4.196 527 HB3 TRP 65 2HB TRP 65 5.023 17.654 -2.678 528 HD1 TRP 65 HD1 TRP 65 5.117 15.754 -6.016 529 HE1 TRP 65 HE1 TRP 65 3.322 13.849 -6.154 530 HE3 TRP 65 HE3 TRP 65 2.466 17.048 -1.801 531 HZ2 TRP 65 HZ2 TRP 65 0.780 13.474 -4.875 532 HZ3 TRP 65 HZ3 TRP 65 0.354 15.861 -1.335 533 HH2 TRP 65 HH2 TRP 65 -0.508 14.139 -2.905 534 H LYS 66 H LYS 66 4.892 20.272 -2.183 535 HA LYS 66 HA LYS 66 2.406 20.369 -0.613 536 HB2 LYS 66 1HB LYS 66 5.036 21.978 -0.559 537 HB3 LYS 66 2HB LYS 66 3.747 22.347 0.554 538 HG2 LYS 66 1HG LYS 66 4.910 19.496 0.318 539 HG3 LYS 66 2HG LYS 66 5.646 20.680 1.333 540 HD2 LYS 66 1HD LYS 66 2.690 19.824 1.554 541 HD3 LYS 66 2HD LYS 66 3.995 19.040 2.414 542 HE2 LYS 66 1HE LYS 66 4.581 21.081 3.689 543 HE3 LYS 66 2HE LYS 66 3.432 22.069 2.760 544 HZ1 LYS 66 3HZ LYS 66 2.765 19.819 4.641 545 HZ2 LYS 66 1HZ LYS 66 2.176 21.366 4.710 546 HZ3 LYS 66 2HZ LYS 66 1.684 20.327 3.519 547 H ALA 67 H ALA 67 3.603 22.631 -3.059 548 HA ALA 67 HA ALA 67 1.323 24.555 -2.757 549 HB1 ALA 67 3HB ALA 67 3.467 25.231 -3.853 550 HB2 ALA 67 1HB ALA 67 3.212 24.045 -5.152 551 HB3 ALA 67 2HB ALA 67 2.105 25.420 -4.967 552 H LYS 68 H LYS 68 1.856 21.643 -4.837 553 HA LYS 68 HA LYS 68 -0.805 21.861 -6.127 554 HB2 LYS 68 1HB LYS 68 1.194 19.531 -5.850 555 HB3 LYS 68 2HB LYS 68 -0.252 19.424 -6.833 556 HG2 LYS 68 1HG LYS 68 0.464 20.944 -8.476 557 HG3 LYS 68 2HG LYS 68 1.541 21.831 -7.402 558 HD2 LYS 68 1HD LYS 68 3.096 19.857 -7.260 559 HD3 LYS 68 2HD LYS 68 2.073 18.967 -8.398 560 HE2 LYS 68 1HE LYS 68 2.436 20.966 -10.085 561 HE3 LYS 68 2HE LYS 68 3.569 21.646 -8.910 562 HZ1 LYS 68 3HZ LYS 68 4.771 19.333 -9.094 563 HZ2 LYS 68 1HZ LYS 68 3.846 19.051 -10.426 564 HZ3 LYS 68 2HZ LYS 68 4.898 20.299 -10.425 565 H HIS 69 H HIS 69 0.234 19.967 -3.249 566 HA HIS 69 HA HIS 69 -2.696 19.671 -2.522 567 HB2 HIS 69 1HB HIS 69 -0.895 17.397 -3.374 568 HB3 HIS 69 2HB HIS 69 -1.542 17.133 -1.791 569 HD1 HIS 69 HD1 HIS 69 -3.807 15.915 -1.726 570 HD2 HIS 69 HD2 HIS 69 -3.149 18.172 -5.332 571 HE1 HIS 69 HE1 HIS 69 -5.543 15.270 -3.538 572 HE2 HIS 69 HE2 HIS 69 -5.404 16.715 -5.602 573 HA PRO 70 HA PRO 70 -1.486 21.263 1.127 574 HB2 PRO 70 1HB PRO 70 -3.268 20.439 3.110 575 HB3 PRO 70 2HB PRO 70 -3.708 21.351 1.653 576 HG2 PRO 70 1HG PRO 70 -3.836 18.275 1.989 577 HG3 PRO 70 2HG PRO 70 -5.156 19.368 1.470 578 HD2 PRO 70 1HD PRO 70 -3.614 18.048 -0.370 579 HD3 PRO 70 2HD PRO 70 -4.114 19.741 -0.688 580 H ASP 71 H ASP 71 -1.925 18.183 3.029 581 HA ASP 71 HA ASP 71 0.900 17.665 2.249 582 HB2 ASP 71 1HB ASP 71 0.687 18.724 4.757 583 HB3 ASP 71 2HB ASP 71 0.314 17.096 5.204 584 H GLU 72 H GLU 72 -0.874 16.568 0.978 585 HA GLU 72 HA GLU 72 -1.926 14.067 1.978 586 HB2 GLU 72 1HB GLU 72 -2.209 15.429 -0.482 587 HB3 GLU 72 2HB GLU 72 -1.319 13.989 -0.966 588 HG2 GLU 72 1HG GLU 72 -3.629 13.417 -1.160 589 HG3 GLU 72 2HG GLU 72 -3.204 12.635 0.357 590 H LYS 73 H LYS 73 1.273 14.584 0.648 591 HA LYS 73 HA LYS 73 1.895 11.629 0.288 592 HB2 LYS 73 1HB LYS 73 2.427 13.222 -1.450 593 HB3 LYS 73 2HB LYS 73 3.348 14.263 -0.382 594 HG2 LYS 73 1HG LYS 73 4.167 11.355 -1.041 595 HG3 LYS 73 2HG LYS 73 4.496 12.725 -2.083 596 HD2 LYS 73 1HD LYS 73 5.483 13.668 0.412 597 HD3 LYS 73 2HD LYS 73 5.737 11.943 0.482 598 HE2 LYS 73 1HE LYS 73 7.776 12.893 -0.339 599 HE3 LYS 73 2HE LYS 73 7.065 11.983 -1.660 600 HZ1 LYS 73 3HZ LYS 73 5.972 14.279 -2.305 601 HZ2 LYS 73 1HZ LYS 73 7.085 14.975 -1.315 602 HZ3 LYS 73 2HZ LYS 73 7.576 14.118 -2.648 603 H PHE 74 H PHE 74 3.608 10.582 1.484 604 HA PHE 74 HA PHE 74 3.746 11.478 4.351 605 HB2 PHE 74 1HB PHE 74 3.448 9.023 3.582 606 HB3 PHE 74 2HB PHE 74 5.103 9.039 3.041 607 HD1 PHE 74 HD1 PHE 74 2.896 9.166 6.046 608 HD2 PHE 74 HD2 PHE 74 6.987 9.083 4.701 609 HE1 PHE 74 HE1 PHE 74 3.646 8.658 8.336 610 HE2 PHE 74 HE2 PHE 74 7.724 8.575 6.997 611 HZ PHE 74 HZ PHE 74 6.059 8.363 8.820 612 HA PRO 75 HA PRO 75 7.511 13.774 3.094 613 HB2 PRO 75 1HB PRO 75 8.309 14.920 5.492 614 HB3 PRO 75 2HB PRO 75 6.870 15.383 4.561 615 HG2 PRO 75 1HG PRO 75 6.984 13.453 6.951 616 HG3 PRO 75 2HG PRO 75 5.896 14.851 6.739 617 HD2 PRO 75 1HD PRO 75 5.085 12.281 6.121 618 HD3 PRO 75 2HD PRO 75 4.537 13.656 5.109 619 H ALA 76 H ALA 76 8.378 11.752 2.562 620 HA ALA 76 HA ALA 76 10.457 10.484 4.226 621 HB1 ALA 76 3HB ALA 76 9.586 9.940 1.303 622 HB2 ALA 76 1HB ALA 76 10.465 8.823 2.364 623 HB3 ALA 76 2HB ALA 76 8.782 9.276 2.746 624 H PHE 77 H PHE 77 12.553 10.599 4.103 625 HA PHE 77 HA PHE 77 13.966 12.309 2.005 626 HB2 PHE 77 1HB PHE 77 15.698 12.738 3.579 627 HB3 PHE 77 2HB PHE 77 14.203 13.021 4.398 628 HD1 PHE 77 HD2 PHE 77 13.415 11.350 6.210 629 HD2 PHE 77 HD1 PHE 77 17.255 10.939 4.289 630 HE1 PHE 77 HE2 PHE 77 14.164 9.826 8.000 631 HE2 PHE 77 HE1 PHE 77 17.979 9.416 6.070 632 HZ PHE 77 HZ PHE 77 16.442 8.855 7.937 633 HA PRO 78 HA PRO 78 15.974 8.444 0.565 634 HB2 PRO 78 1HB PRO 78 18.294 9.329 -0.651 635 HB3 PRO 78 2HB PRO 78 16.666 9.709 -1.255 636 HG2 PRO 78 1HG PRO 78 18.449 11.478 0.529 637 HG3 PRO 78 2HG PRO 78 17.654 11.951 -0.993 638 HD2 PRO 78 1HD PRO 78 16.549 12.473 1.507 639 HD3 PRO 78 2HD PRO 78 15.496 12.125 0.101 640 H GLY 79 H GLY 79 16.354 7.283 2.353 641 HA2 GLY 79 1HA GLY 79 19.111 7.450 3.742 642 HA3 GLY 79 2HA GLY 79 17.600 7.288 4.640 Start of MODEL 2 1 H1 PHE 1 1H PHE 1 -14.323 14.686 -1.334 2 H2 PHE 1 2H PHE 1 -14.229 16.319 -1.283 3 HA PHE 1 HA PHE 1 -12.131 16.390 -2.338 4 HB2 PHE 1 1HB PHE 1 -12.631 15.199 0.334 5 HB3 PHE 1 2HB PHE 1 -11.199 14.470 -0.309 6 HD1 PHE 1 HD1 PHE 1 -9.310 16.018 -1.253 7 HD2 PHE 1 HD2 PHE 1 -12.500 17.471 1.247 8 HE1 PHE 1 HE1 PHE 1 -7.948 17.996 -0.638 9 HE2 PHE 1 HE2 PHE 1 -11.129 19.425 1.849 10 HZ PHE 1 HZ PHE 1 -8.852 19.690 0.905 11 H ASN 2 H ASN 2 -11.188 15.617 -4.012 12 HA ASN 2 HA ASN 2 -11.144 12.785 -4.915 13 HB2 ASN 2 1HB ASN 2 -10.847 14.968 -6.351 14 HB3 ASN 2 2HB ASN 2 -9.244 15.103 -5.711 15 HD21 ASN 2 1HD2 ASN 2 -7.822 14.323 -7.192 16 HD22 ASN 2 2HD2 ASN 2 -8.226 13.003 -8.399 17 H VAL 3 H VAL 3 -8.887 14.742 -3.050 18 HA VAL 3 HA VAL 3 -6.854 12.501 -2.997 19 HB VAL 3 HB VAL 3 -6.324 14.985 -3.688 20 HG11 VAL 3 1HG1 VAL 3 -6.215 15.312 -0.645 21 HG12 VAL 3 2HG1 VAL 3 -5.206 16.257 -1.725 22 HG13 VAL 3 3HG1 VAL 3 -6.968 16.341 -1.857 23 HG21 VAL 3 3HG2 VAL 3 -4.655 13.408 -3.862 24 HG22 VAL 3 1HG2 VAL 3 -3.930 14.636 -2.824 25 HG23 VAL 3 2HG2 VAL 3 -4.500 13.104 -2.134 26 H LYS 4 H LYS 4 -5.965 11.716 -1.066 27 HA LYS 4 HA LYS 4 -7.202 12.341 1.555 28 HB2 LYS 4 1HB LYS 4 -7.932 9.733 0.085 29 HB3 LYS 4 2HB LYS 4 -7.598 9.614 1.799 30 HG2 LYS 4 1HG LYS 4 -9.348 11.373 2.309 31 HG3 LYS 4 2HG LYS 4 -9.776 11.433 0.594 32 HD2 LYS 4 1HD LYS 4 -10.180 8.919 0.620 33 HD3 LYS 4 2HD LYS 4 -9.800 8.848 2.329 34 HE2 LYS 4 1HE LYS 4 -12.134 10.528 1.143 35 HE3 LYS 4 2HE LYS 4 -12.292 8.836 1.607 36 HZ1 LYS 4 3HZ LYS 4 -11.674 9.426 3.934 37 HZ2 LYS 4 1HZ LYS 4 -11.456 11.001 3.544 38 HZ3 LYS 4 2HZ LYS 4 -12.960 10.341 3.481 39 H GLN 5 H GLN 5 -5.714 12.088 3.022 40 HA GLN 5 HA GLN 5 -3.271 11.182 3.147 41 HB2 GLN 5 1HB GLN 5 -5.461 11.469 5.186 42 HB3 GLN 5 2HB GLN 5 -4.209 10.435 5.774 43 HG2 GLN 5 1HG GLN 5 -3.592 13.203 4.548 44 HG3 GLN 5 2HG GLN 5 -4.075 12.980 6.213 45 HE21 GLN 5 1HE2 GLN 5 -1.375 13.609 4.675 46 HE22 GLN 5 2HE2 GLN 5 -0.271 12.687 5.785 47 H LYS 6 H LYS 6 -2.312 9.461 4.768 48 HA LYS 6 HA LYS 6 -2.118 7.395 2.639 49 HB2 LYS 6 1HB LYS 6 -0.174 7.961 4.953 50 HB3 LYS 6 2HB LYS 6 0.163 6.951 3.567 51 HG2 LYS 6 1HG LYS 6 -0.278 10.001 3.534 52 HG3 LYS 6 2HG LYS 6 1.228 9.129 3.470 53 HD2 LYS 6 1HD LYS 6 0.907 9.857 1.362 54 HD3 LYS 6 2HD LYS 6 0.642 8.157 1.240 55 HE2 LYS 6 1HE LYS 6 -1.737 8.414 0.736 56 HE3 LYS 6 2HE LYS 6 -1.848 9.921 1.598 57 HZ1 LYS 6 3HZ LYS 6 -1.797 10.254 -0.882 58 HZ2 LYS 6 1HZ LYS 6 -0.618 11.050 -0.041 59 HZ3 LYS 6 2HZ LYS 6 -0.217 9.710 -0.937 60 H SER 7 H SER 7 -2.033 5.244 2.780 61 HA SER 7 HA SER 7 -3.218 3.954 5.323 62 HB2 SER 7 1HB SER 7 -3.825 3.197 2.391 63 HB3 SER 7 2HB SER 7 -4.339 2.295 3.819 64 HG SER 7 HG SER 7 -4.885 5.061 3.573 65 H GLU 8 H GLU 8 -1.298 3.261 6.135 66 HA GLU 8 HA GLU 8 0.517 1.417 4.486 67 HB2 GLU 8 1HB GLU 8 1.003 3.009 7.078 68 HB3 GLU 8 2HB GLU 8 2.151 1.880 6.372 69 HG2 GLU 8 1HG GLU 8 2.227 3.274 4.232 70 HG3 GLU 8 2HG GLU 8 1.113 4.428 4.954 71 H ILE 9 H ILE 9 -0.497 -0.571 4.645 72 HA ILE 9 HA ILE 9 -1.179 -1.640 7.453 73 HB ILE 9 HB ILE 9 -2.356 -2.424 4.744 74 HG12 ILE 9 1HG1 ILE 9 -3.290 -0.290 5.425 75 HG13 ILE 9 2HG1 ILE 9 -4.499 -1.546 5.519 76 HG21 ILE 9 1HG2 ILE 9 -2.321 -4.462 6.053 77 HG22 ILE 9 2HG2 ILE 9 -3.067 -3.662 7.455 78 HG23 ILE 9 3HG2 ILE 9 -3.975 -3.865 5.928 79 HD11 ILE 9 3HD1 ILE 9 -4.222 -1.598 8.074 80 HD12 ILE 9 1HD1 ILE 9 -3.035 -0.281 7.937 81 HD13 ILE 9 2HD1 ILE 9 -4.713 -0.016 7.442 82 H THR 10 H THR 10 -0.593 -3.637 8.029 83 HA THR 10 HA THR 10 2.063 -4.538 7.043 84 HB THR 10 HB THR 10 0.290 -5.319 9.437 85 HG1 THR 10 HG1 THR 10 1.313 -3.220 9.307 86 HG21 THR 10 3HG2 THR 10 1.869 -7.247 9.038 87 HG22 THR 10 1HG2 THR 10 3.239 -6.109 9.007 88 HG23 THR 10 2HG2 THR 10 2.283 -6.328 10.486 89 H ALA 11 H ALA 11 2.631 -6.647 6.501 90 HA ALA 11 HA ALA 11 1.058 -7.830 4.517 91 HB1 ALA 11 3HB ALA 11 3.473 -9.135 5.946 92 HB2 ALA 11 1HB ALA 11 2.947 -9.382 4.255 93 HB3 ALA 11 2HB ALA 11 3.588 -7.827 4.746 94 H LEU 12 H LEU 12 -0.395 -9.372 4.334 95 HA LEU 12 HA LEU 12 -1.163 -11.064 6.750 96 HB2 LEU 12 1HB LEU 12 -2.741 -9.416 4.820 97 HB3 LEU 12 2HB LEU 12 -3.286 -11.058 4.734 98 HG LEU 12 HG LEU 12 -3.033 -9.497 7.392 99 HD11 LEU 12 1HD1 LEU 12 -5.508 -9.952 5.580 100 HD12 LEU 12 2HD1 LEU 12 -5.518 -9.178 7.184 101 HD13 LEU 12 3HD1 LEU 12 -4.672 -8.398 5.837 102 HD21 LEU 12 3HD2 LEU 12 -4.628 -11.266 8.247 103 HD22 LEU 12 1HD2 LEU 12 -4.547 -12.121 6.689 104 HD23 LEU 12 2HD2 LEU 12 -3.111 -12.010 7.730 105 H VAL 13 H VAL 13 -1.345 -13.197 6.526 106 HA VAL 13 HA VAL 13 -0.099 -14.699 4.309 107 HB VAL 13 HB VAL 13 -1.095 -16.750 5.447 108 HG11 VAL 13 1HG1 VAL 13 1.240 -16.080 5.854 109 HG12 VAL 13 2HG1 VAL 13 0.754 -15.006 7.184 110 HG13 VAL 13 3HG1 VAL 13 0.518 -16.765 7.319 111 HG21 VAL 13 3HG2 VAL 13 -1.827 -14.927 7.825 112 HG22 VAL 13 1HG2 VAL 13 -3.020 -15.608 6.705 113 HG23 VAL 13 2HG2 VAL 13 -2.009 -16.684 7.689 114 H LYS 14 H LYS 14 -1.061 -16.143 2.860 115 HA LYS 14 HA LYS 14 -3.059 -14.688 1.416 116 HB2 LYS 14 1HB LYS 14 -1.119 -16.068 0.493 117 HB3 LYS 14 2HB LYS 14 -2.011 -17.520 0.836 118 HG2 LYS 14 1HG LYS 14 -2.247 -17.089 -1.498 119 HG3 LYS 14 2HG LYS 14 -3.826 -16.799 -0.786 120 HD2 LYS 14 1HD LYS 14 -3.304 -14.282 -0.743 121 HD3 LYS 14 2HD LYS 14 -1.789 -14.567 -1.561 122 HE2 LYS 14 1HE LYS 14 -4.572 -15.428 -2.657 123 HE3 LYS 14 2HE LYS 14 -3.908 -13.821 -2.918 124 HZ1 LYS 14 3HZ LYS 14 -2.277 -16.220 -3.717 125 HZ2 LYS 14 1HZ LYS 14 -3.401 -15.608 -4.750 126 HZ3 LYS 14 2HZ LYS 14 -2.128 -14.684 -4.268 127 H GLU 15 H GLU 15 -5.100 -14.845 0.948 128 HA GLU 15 HA GLU 15 -6.900 -16.635 2.516 129 HB2 GLU 15 1HB GLU 15 -8.686 -15.135 1.694 130 HB3 GLU 15 2HB GLU 15 -7.458 -14.399 2.688 131 HG2 GLU 15 1HG GLU 15 -7.507 -14.095 -0.393 132 HG3 GLU 15 2HG GLU 15 -8.376 -13.046 0.713 133 H VAL 16 H VAL 16 -7.814 -18.336 1.756 134 HA VAL 16 HA VAL 16 -8.090 -18.935 -1.211 135 HB VAL 16 HB VAL 16 -6.952 -21.200 0.496 136 HG11 VAL 16 1HG1 VAL 16 -6.291 -20.259 -2.393 137 HG12 VAL 16 2HG1 VAL 16 -5.827 -21.807 -1.645 138 HG13 VAL 16 3HG1 VAL 16 -7.522 -21.467 -2.007 139 HG21 VAL 16 3HG2 VAL 16 -5.308 -19.426 1.163 140 HG22 VAL 16 1HG2 VAL 16 -4.585 -20.674 0.152 141 HG23 VAL 16 2HG2 VAL 16 -4.971 -19.072 -0.541 142 H THR 17 H THR 17 -9.401 -20.834 -1.640 143 HA THR 17 HA THR 17 -11.846 -20.831 0.010 144 HB THR 17 HB THR 17 -11.250 -22.638 -2.403 145 HG1 THR 17 HG1 THR 17 -12.084 -19.972 -2.146 146 HG21 THR 17 3HG2 THR 17 -13.939 -21.531 -1.365 147 HG22 THR 17 1HG2 THR 17 -13.670 -22.621 -2.741 148 HG23 THR 17 2HG2 THR 17 -13.398 -23.201 -1.086 149 HA PRO 18 HA PRO 18 -10.854 -25.155 1.777 150 HB2 PRO 18 1HB PRO 18 -8.569 -26.591 1.220 151 HB3 PRO 18 2HB PRO 18 -9.973 -26.583 0.132 152 HG2 PRO 18 1HG PRO 18 -7.415 -24.894 -0.127 153 HG3 PRO 18 2HG PRO 18 -8.209 -25.870 -1.396 154 HD2 PRO 18 1HD PRO 18 -8.601 -23.106 -1.006 155 HD3 PRO 18 2HD PRO 18 -9.816 -24.141 -1.806 156 HA PRO 19 HA PRO 19 -8.501 -23.046 4.957 157 HB2 PRO 19 1HB PRO 19 -8.364 -24.858 7.049 158 HB3 PRO 19 2HB PRO 19 -9.868 -24.144 6.427 159 HG2 PRO 19 1HG PRO 19 -8.672 -26.875 5.635 160 HG3 PRO 19 2HG PRO 19 -10.317 -26.560 6.255 161 HD2 PRO 19 1HD PRO 19 -9.858 -26.728 3.544 162 HD3 PRO 19 2HD PRO 19 -10.997 -25.495 4.173 163 H ARG 20 H ARG 20 -6.745 -22.912 3.539 164 HA ARG 20 HA ARG 20 -4.121 -24.152 4.540 165 HB2 ARG 20 1HB ARG 20 -5.283 -25.095 2.372 166 HB3 ARG 20 2HB ARG 20 -4.918 -23.563 1.600 167 HG2 ARG 20 1HG ARG 20 -2.426 -23.954 2.078 168 HG3 ARG 20 2HG ARG 20 -2.809 -25.490 2.837 169 HD2 ARG 20 1HD ARG 20 -3.433 -24.758 -0.110 170 HD3 ARG 20 2HD ARG 20 -1.995 -25.644 0.444 171 HE ARG 20 HE ARG 20 -4.321 -27.060 1.478 172 HH11 ARG 20 2HH2 ARG 20 -2.815 -26.458 -1.596 173 HH12 ARG 20 1HH2 ARG 20 -3.542 -27.966 -2.330 174 HH21 ARG 20 2HH1 ARG 20 -5.132 -28.757 0.619 175 HH22 ARG 20 1HH1 ARG 20 -4.795 -29.192 -1.112 176 H LYS 21 H LYS 21 -2.514 -22.696 4.900 177 HA LYS 21 HA LYS 21 -2.927 -19.768 4.018 178 HB2 LYS 21 1HB LYS 21 -1.424 -20.896 6.458 179 HB3 LYS 21 2HB LYS 21 -1.421 -19.214 5.981 180 HG2 LYS 21 1HG LYS 21 -3.904 -20.817 6.871 181 HG3 LYS 21 2HG LYS 21 -2.958 -19.723 7.843 182 HD2 LYS 21 1HD LYS 21 -4.329 -18.053 7.282 183 HD3 LYS 21 2HD LYS 21 -3.584 -18.015 5.695 184 HE2 LYS 21 1HE LYS 21 -5.332 -19.652 4.814 185 HE3 LYS 21 2HE LYS 21 -6.064 -19.747 6.420 186 HZ1 LYS 21 3HZ LYS 21 -5.745 -17.175 4.862 187 HZ2 LYS 21 1HZ LYS 21 -7.162 -18.008 4.957 188 HZ3 LYS 21 2HZ LYS 21 -6.530 -17.313 6.305 189 H ALA 22 H ALA 22 -1.795 -19.609 2.165 190 HA ALA 22 HA ALA 22 1.067 -20.509 2.007 191 HB1 ALA 22 3HB ALA 22 -0.508 -18.863 -0.064 192 HB2 ALA 22 1HB ALA 22 1.036 -19.698 -0.290 193 HB3 ALA 22 2HB ALA 22 -0.424 -20.637 0.017 194 HA PRO 23 HA PRO 23 2.560 -16.642 3.793 195 HB2 PRO 23 1HB PRO 23 5.265 -16.964 3.635 196 HB3 PRO 23 2HB PRO 23 4.222 -18.144 4.454 197 HG2 PRO 23 1HG PRO 23 5.213 -18.321 1.527 198 HG3 PRO 23 2HG PRO 23 5.475 -19.533 2.813 199 HD2 PRO 23 1HD PRO 23 3.325 -19.737 1.073 200 HD3 PRO 23 2HD PRO 23 3.156 -20.197 2.800 201 H SER 24 H SER 24 1.399 -15.678 1.890 202 HA SER 24 HA SER 24 2.872 -14.436 -0.304 203 HB2 SER 24 1HB SER 24 0.568 -15.059 -0.517 204 HB3 SER 24 2HB SER 24 0.034 -13.936 0.757 205 HG SER 24 HG SER 24 0.800 -12.224 -0.589 206 H LYS 25 H LYS 25 3.994 -12.587 -0.368 207 HA LYS 25 HA LYS 25 4.151 -10.766 2.018 208 HB2 LYS 25 1HB LYS 25 5.724 -10.918 -0.605 209 HB3 LYS 25 2HB LYS 25 5.761 -9.454 0.337 210 HG2 LYS 25 1HG LYS 25 7.658 -10.746 0.922 211 HG3 LYS 25 2HG LYS 25 6.624 -10.512 2.325 212 HD2 LYS 25 1HD LYS 25 5.748 -12.872 2.113 213 HD3 LYS 25 2HD LYS 25 6.706 -13.120 0.651 214 HE2 LYS 25 1HE LYS 25 8.850 -12.713 1.989 215 HE3 LYS 25 2HE LYS 25 7.886 -12.426 3.445 216 HZ1 LYS 25 3HZ LYS 25 8.511 -14.786 3.454 217 HZ2 LYS 25 1HZ LYS 25 6.909 -14.767 3.063 218 HZ3 LYS 25 2HZ LYS 25 8.025 -15.021 1.902 219 H ALA 26 H ALA 26 2.448 -9.551 2.308 220 HA ALA 26 HA ALA 26 1.247 -7.915 0.036 221 HB1 ALA 26 3HB ALA 26 -0.707 -7.662 1.554 222 HB2 ALA 26 1HB ALA 26 -0.332 -9.378 1.291 223 HB3 ALA 26 2HB ALA 26 0.123 -8.609 2.804 224 H LYS 27 H LYS 27 1.694 -5.875 -0.074 225 HA LYS 27 HA LYS 27 1.939 -4.266 2.518 226 HB2 LYS 27 1HB LYS 27 3.745 -3.897 0.041 227 HB3 LYS 27 2HB LYS 27 3.368 -2.565 1.108 228 HG2 LYS 27 1HG LYS 27 5.272 -3.204 2.117 229 HG3 LYS 27 2HG LYS 27 4.131 -4.074 3.112 230 HD2 LYS 27 1HD LYS 27 4.661 -6.030 1.176 231 HD3 LYS 27 2HD LYS 27 6.141 -5.120 1.048 232 HE2 LYS 27 1HE LYS 27 4.948 -6.369 3.635 233 HE3 LYS 27 2HE LYS 27 6.169 -7.138 2.639 234 HZ1 LYS 27 3HZ LYS 27 7.729 -5.237 3.146 235 HZ2 LYS 27 1HZ LYS 27 6.581 -4.466 4.012 236 HZ3 LYS 27 2HZ LYS 27 7.213 -5.875 4.574 237 H ARG 28 H ARG 28 0.498 -2.747 2.677 238 HA ARG 28 HA ARG 28 -1.069 -1.851 0.210 239 HB2 ARG 28 1HB ARG 28 -2.367 -1.492 2.911 240 HB3 ARG 28 2HB ARG 28 -3.046 -1.521 1.313 241 HG2 ARG 28 1HG ARG 28 -2.468 -4.068 1.211 242 HG3 ARG 28 2HG ARG 28 -2.042 -3.967 2.908 243 HD2 ARG 28 1HD ARG 28 -4.399 -3.274 3.504 244 HD3 ARG 28 2HD ARG 28 -4.848 -3.309 1.777 245 HE ARG 28 HE ARG 28 -3.586 -5.870 2.485 246 HH11 ARG 28 2HH2 ARG 28 -6.598 -4.203 2.966 247 HH12 ARG 28 1HH2 ARG 28 -7.508 -5.775 3.180 248 HH21 ARG 28 2HH1 ARG 28 -4.641 -7.623 2.739 249 HH22 ARG 28 1HH1 ARG 28 -6.429 -7.618 3.031 250 H GLU 29 H GLU 29 -0.361 0.165 -0.237 251 HA GLU 29 HA GLU 29 0.590 2.084 1.866 252 HB2 GLU 29 1HB GLU 29 2.670 0.945 -0.097 253 HB3 GLU 29 2HB GLU 29 2.815 2.535 0.627 254 HG2 GLU 29 1HG GLU 29 2.961 1.650 2.900 255 HG3 GLU 29 2HG GLU 29 2.557 0.016 2.390 256 H ALA 30 H ALA 30 -0.176 3.982 1.229 257 HA ALA 30 HA ALA 30 -0.865 4.622 -1.645 258 HB1 ALA 30 3HB ALA 30 -2.361 5.234 0.299 259 HB2 ALA 30 1HB ALA 30 -1.089 6.355 0.867 260 HB3 ALA 30 2HB ALA 30 -1.891 6.602 -0.694 261 HA PRO 31 HA PRO 31 2.867 7.432 -1.873 262 HB2 PRO 31 1HB PRO 31 3.592 7.072 -4.429 263 HB3 PRO 31 2HB PRO 31 3.668 5.746 -3.269 264 HG2 PRO 31 1HG PRO 31 1.354 6.302 -5.257 265 HG3 PRO 31 2HG PRO 31 2.297 4.788 -5.118 266 HD2 PRO 31 1HD PRO 31 -0.123 5.191 -3.779 267 HD3 PRO 31 2HD PRO 31 1.183 4.171 -3.098 268 H ILE 32 H ILE 32 2.185 8.373 -4.952 269 HA ILE 32 HA ILE 32 1.009 11.002 -3.945 270 HB ILE 32 HB ILE 32 2.004 12.090 -5.957 271 HG12 ILE 32 1HG1 ILE 32 3.588 9.490 -6.362 272 HG13 ILE 32 2HG1 ILE 32 2.363 10.109 -7.441 273 HG21 ILE 32 1HG2 ILE 32 2.990 12.075 -3.626 274 HG22 ILE 32 2HG2 ILE 32 4.108 10.779 -4.141 275 HG23 ILE 32 3HG2 ILE 32 4.151 12.396 -4.900 276 HD11 ILE 32 3HD1 ILE 32 4.655 10.615 -8.285 277 HD12 ILE 32 1HD1 ILE 32 3.861 12.170 -7.896 278 HD13 ILE 32 2HD1 ILE 32 5.056 11.466 -6.843 279 H LYS 33 H LYS 33 -0.811 11.762 -4.787 280 HA LYS 33 HA LYS 33 -2.355 10.251 -6.899 281 HB2 LYS 33 1HB LYS 33 -3.398 11.273 -4.791 282 HB3 LYS 33 2HB LYS 33 -3.104 12.867 -5.475 283 HG2 LYS 33 1HG LYS 33 -5.382 12.423 -5.985 284 HG3 LYS 33 2HG LYS 33 -4.581 12.172 -7.496 285 HD2 LYS 33 1HD LYS 33 -5.522 10.170 -7.666 286 HD3 LYS 33 2HD LYS 33 -4.488 9.538 -6.429 287 HE2 LYS 33 1HE LYS 33 -7.344 10.692 -6.103 288 HE3 LYS 33 2HE LYS 33 -6.880 9.005 -6.029 289 HZ1 LYS 33 3HZ LYS 33 -5.636 9.460 -3.908 290 HZ2 LYS 33 1HZ LYS 33 -5.875 11.060 -4.088 291 HZ3 LYS 33 2HZ LYS 33 -7.172 10.110 -3.773 292 H TYR 34 H TYR 34 -0.048 12.673 -7.030 293 HA TYR 34 HA TYR 34 -0.846 14.029 -9.580 294 HB2 TYR 34 1HB TYR 34 0.822 14.886 -7.810 295 HB3 TYR 34 2HB TYR 34 1.961 13.665 -8.336 296 HD1 TYR 34 HD1 TYR 34 0.253 16.852 -9.228 297 HD2 TYR 34 HD2 TYR 34 3.178 13.952 -10.506 298 HE1 TYR 34 HE1 TYR 34 1.103 18.435 -10.916 299 HE2 TYR 34 HE2 TYR 34 4.038 15.561 -12.158 300 HH TYR 34 HH TYR 34 2.405 18.563 -12.847 301 H TRP 35 H TRP 35 1.195 11.184 -8.872 302 HA TRP 35 HA TRP 35 1.510 10.575 -11.842 303 HB2 TRP 35 1HB TRP 35 3.439 10.527 -10.215 304 HB3 TRP 35 2HB TRP 35 2.701 9.164 -9.374 305 HD1 TRP 35 HD1 TRP 35 2.844 6.693 -10.601 306 HE1 TRP 35 HE1 TRP 35 4.598 5.666 -12.260 307 HE3 TRP 35 HE3 TRP 35 4.789 11.147 -12.259 308 HZ2 TRP 35 HZ2 TRP 35 6.594 6.782 -13.942 309 HZ3 TRP 35 HZ3 TRP 35 6.701 11.078 -13.843 310 HH2 TRP 35 HH2 TRP 35 7.584 8.944 -14.667 311 H LEU 36 H LEU 36 0.057 8.928 -8.922 312 HA LEU 36 HA LEU 36 -1.200 6.899 -10.841 313 HB2 LEU 36 1HB LEU 36 -0.854 6.668 -7.798 314 HB3 LEU 36 2HB LEU 36 -1.593 5.466 -8.846 315 HG LEU 36 HG LEU 36 1.363 6.329 -8.922 316 HD11 LEU 36 1HD1 LEU 36 1.821 4.163 -7.873 317 HD12 LEU 36 2HD1 LEU 36 0.585 4.978 -6.895 318 HD13 LEU 36 3HD1 LEU 36 0.116 3.658 -7.979 319 HD21 LEU 36 3HD2 LEU 36 1.688 4.366 -10.466 320 HD22 LEU 36 1HD2 LEU 36 -0.067 4.081 -10.512 321 HD23 LEU 36 2HD2 LEU 36 0.626 5.562 -11.211 322 HA PRO 37 HA PRO 37 -5.108 8.994 -9.698 323 HB2 PRO 37 1HB PRO 37 -6.972 7.425 -11.040 324 HB3 PRO 37 2HB PRO 37 -5.859 8.569 -11.809 325 HG2 PRO 37 1HG PRO 37 -5.452 5.534 -11.496 326 HG3 PRO 37 2HG PRO 37 -5.313 6.502 -12.986 327 HD2 PRO 37 1HD PRO 37 -3.085 5.843 -11.494 328 HD3 PRO 37 2HD PRO 37 -3.187 7.441 -12.302 329 H HIS 38 H HIS 38 -4.499 5.745 -8.610 330 HA HIS 38 HA HIS 38 -6.424 6.330 -6.274 331 HB2 HIS 38 1HB HIS 38 -7.092 4.397 -7.844 332 HB3 HIS 38 2HB HIS 38 -5.641 3.540 -7.374 333 HD1 HIS 38 HD1 HIS 38 -5.525 2.630 -4.744 334 HD2 HIS 38 HD2 HIS 38 -9.217 4.444 -6.016 335 HE1 HIS 38 HE1 HIS 38 -7.377 2.107 -3.054 336 HE2 HIS 38 HE2 HIS 38 -9.651 3.145 -3.726 337 H SER 39 H SER 39 -4.783 7.389 -5.117 338 HA SER 39 HA SER 39 -2.299 6.057 -4.208 339 HB2 SER 39 1HB SER 39 -2.202 7.746 -2.427 340 HB3 SER 39 2HB SER 39 -2.340 8.417 -4.029 341 HG SER 39 HG SER 39 -4.392 8.156 -2.054 342 H GLY 40 H GLY 40 -2.645 4.103 -3.484 343 HA2 GLY 40 1HA GLY 40 -2.775 3.201 -0.926 344 HA3 GLY 40 2HA GLY 40 -4.503 3.483 -1.121 345 H ALA 41 H ALA 41 -1.740 1.716 -2.329 346 HA ALA 41 HA ALA 41 -3.550 -0.191 -3.920 347 HB1 ALA 41 3HB ALA 41 -1.534 -0.542 -5.351 348 HB2 ALA 41 1HB ALA 41 -1.949 1.181 -5.258 349 HB3 ALA 41 2HB ALA 41 -0.571 0.545 -4.323 350 H THR 42 H THR 42 -3.643 -2.241 -3.344 351 HA THR 42 HA THR 42 -1.678 -3.440 -1.356 352 HB THR 42 HB THR 42 -3.918 -3.506 -0.629 353 HG1 THR 42 HG1 THR 42 -3.036 -6.066 -1.476 354 HG21 THR 42 3HG2 THR 42 -4.723 -5.423 -2.913 355 HG22 THR 42 1HG2 THR 42 -5.696 -4.889 -1.525 356 HG23 THR 42 2HG2 THR 42 -5.267 -3.741 -2.801 357 H TRP 43 H TRP 43 -0.120 -4.571 -2.185 358 HA TRP 43 HA TRP 43 -0.637 -6.342 -4.657 359 HB2 TRP 43 1HB TRP 43 0.986 -4.427 -5.052 360 HB3 TRP 43 2HB TRP 43 2.083 -5.160 -3.869 361 HD1 TRP 43 HD1 TRP 43 1.387 -8.386 -5.249 362 HE1 TRP 43 HE1 TRP 43 2.819 -9.063 -7.324 363 HE3 TRP 43 HE3 TRP 43 2.783 -3.613 -6.672 364 HZ2 TRP 43 HZ2 TRP 43 4.351 -7.640 -9.214 365 HZ3 TRP 43 HZ3 TRP 43 4.325 -3.384 -8.585 366 HH2 TRP 43 HH2 TRP 43 5.111 -5.370 -9.829 367 H SER 44 H SER 44 -1.170 -8.133 -3.685 368 HA SER 44 HA SER 44 0.434 -9.322 -1.368 369 HB2 SER 44 1HB SER 44 -2.261 -10.174 -2.594 370 HB3 SER 44 2HB SER 44 -1.456 -10.959 -1.228 371 HG SER 44 HG SER 44 -3.004 -9.449 -0.554 372 H GLY 45 H GLY 45 2.262 -9.959 -2.444 373 HA2 GLY 45 1HA GLY 45 2.539 -12.614 -3.516 374 HA3 GLY 45 2HA GLY 45 2.221 -11.631 -4.944 375 H ARG 46 H ARG 46 3.639 -9.823 -5.314 376 HA ARG 46 HA ARG 46 6.507 -10.186 -4.404 377 HB2 ARG 46 1HB ARG 46 6.146 -9.715 -6.791 378 HB3 ARG 46 2HB ARG 46 5.324 -8.209 -6.447 379 HG2 ARG 46 1HG ARG 46 8.161 -8.622 -5.352 380 HG3 ARG 46 2HG ARG 46 7.978 -8.395 -7.067 381 HD2 ARG 46 1HD ARG 46 6.556 -6.376 -5.251 382 HD3 ARG 46 2HD ARG 46 8.284 -6.331 -5.229 383 HE ARG 46 HE ARG 46 6.473 -5.767 -7.632 384 HH11 ARG 46 2HH2 ARG 46 9.764 -5.917 -6.499 385 HH12 ARG 46 1HH2 ARG 46 10.337 -4.765 -7.795 386 HH21 ARG 46 2HH1 ARG 46 7.166 -4.445 -9.077 387 HH22 ARG 46 1HH1 ARG 46 8.925 -4.003 -9.179 388 H GLY 47 H GLY 47 7.280 -9.032 -2.830 389 HA2 GLY 47 1HA GLY 47 5.604 -7.195 -1.115 390 HA3 GLY 47 2HA GLY 47 7.264 -7.666 -0.805 391 H LYS 48 H LYS 48 5.333 -5.626 -2.868 392 HA LYS 48 HA LYS 48 7.537 -3.758 -3.509 393 HB2 LYS 48 1HB LYS 48 5.963 -2.321 -4.575 394 HB3 LYS 48 2HB LYS 48 5.667 -3.983 -4.996 395 HG2 LYS 48 1HG LYS 48 3.492 -3.506 -4.656 396 HG3 LYS 48 2HG LYS 48 3.830 -3.830 -2.976 397 HD2 LYS 48 1HD LYS 48 4.277 -1.257 -2.717 398 HD3 LYS 48 2HD LYS 48 3.672 -1.070 -4.367 399 HE2 LYS 48 1HE LYS 48 1.464 -2.065 -3.748 400 HE3 LYS 48 2HE LYS 48 2.065 -2.543 -2.162 401 HZ1 LYS 48 3HZ LYS 48 0.746 -0.503 -2.039 402 HZ2 LYS 48 1HZ LYS 48 2.278 -0.182 -1.525 403 HZ3 LYS 48 2HZ LYS 48 1.774 0.347 -3.001 404 H ILE 49 H ILE 49 8.510 -2.402 -2.140 405 HA ILE 49 HA ILE 49 6.803 -0.811 -0.143 406 HB ILE 49 HB ILE 49 9.816 -1.359 0.188 407 HG12 ILE 49 1HG1 ILE 49 8.811 -2.565 2.399 408 HG13 ILE 49 2HG1 ILE 49 7.389 -2.811 1.397 409 HG21 ILE 49 1HG2 ILE 49 7.682 -0.016 2.006 410 HG22 ILE 49 2HG2 ILE 49 9.363 -0.365 2.499 411 HG23 ILE 49 3HG2 ILE 49 9.059 0.782 1.192 412 HD11 ILE 49 3HD1 ILE 49 10.285 -3.757 0.789 413 HD12 ILE 49 1HD1 ILE 49 8.936 -4.788 1.304 414 HD13 ILE 49 2HD1 ILE 49 8.921 -4.048 -0.297 415 HA PRO 50 HA PRO 50 8.489 2.278 -3.247 416 HB2 PRO 50 1HB PRO 50 6.483 4.165 -3.165 417 HB3 PRO 50 2HB PRO 50 6.252 2.553 -3.875 418 HG2 PRO 50 1HG PRO 50 5.451 3.481 -1.050 419 HG3 PRO 50 2HG PRO 50 4.433 2.630 -2.238 420 HD2 PRO 50 1HD PRO 50 5.896 1.379 -0.177 421 HD3 PRO 50 2HD PRO 50 5.423 0.510 -1.663 422 H LYS 51 H LYS 51 9.791 2.086 -1.002 423 HA LYS 51 HA LYS 51 10.095 4.706 0.425 424 HB2 LYS 51 1HB LYS 51 11.093 2.008 0.921 425 HB3 LYS 51 2HB LYS 51 12.495 2.951 0.592 426 HG2 LYS 51 1HG LYS 51 12.404 3.241 2.803 427 HG3 LYS 51 2HG LYS 51 11.576 4.704 2.363 428 HD2 LYS 51 1HD LYS 51 10.234 2.030 3.238 429 HD3 LYS 51 2HD LYS 51 10.696 3.319 4.304 430 HE2 LYS 51 1HE LYS 51 8.485 3.779 4.181 431 HE3 LYS 51 2HE LYS 51 9.080 4.914 2.984 432 HZ1 LYS 51 3HZ LYS 51 8.375 3.195 1.213 433 HZ2 LYS 51 1HZ LYS 51 7.724 2.250 2.401 434 HZ3 LYS 51 2HZ LYS 51 7.103 3.703 2.128 435 HA PRO 52 HA PRO 52 13.748 5.726 -2.523 436 HB2 PRO 52 1HB PRO 52 14.299 4.276 -4.811 437 HB3 PRO 52 2HB PRO 52 14.933 3.871 -3.203 438 HG2 PRO 52 1HG PRO 52 12.413 2.670 -4.521 439 HG3 PRO 52 2HG PRO 52 13.817 1.777 -3.873 440 HD2 PRO 52 1HD PRO 52 11.576 2.164 -2.342 441 HD3 PRO 52 2HD PRO 52 13.192 2.269 -1.578 442 H PHE 53 H PHE 53 10.657 4.726 -3.757 443 HA PHE 53 HA PHE 53 10.558 6.818 -5.933 444 HB2 PHE 53 1HB PHE 53 9.289 4.751 -6.294 445 HB3 PHE 53 2HB PHE 53 8.356 4.988 -4.832 446 HD1 PHE 53 HD2 PHE 53 9.133 6.669 -8.158 447 HD2 PHE 53 HD1 PHE 53 6.361 6.362 -4.892 448 HE1 PHE 53 HE2 PHE 53 7.446 7.905 -9.476 449 HE2 PHE 53 HE1 PHE 53 4.688 7.606 -6.193 450 HZ PHE 53 HZ PHE 53 5.212 8.341 -8.526 451 H GLU 54 H GLU 54 8.810 6.403 -2.740 452 HA GLU 54 HA GLU 54 7.894 9.221 -2.846 453 HB2 GLU 54 1HB GLU 54 6.700 7.271 -1.742 454 HB3 GLU 54 2HB GLU 54 7.869 7.314 -0.431 455 HG2 GLU 54 1HG GLU 54 7.110 9.603 0.226 456 HG3 GLU 54 2HG GLU 54 6.142 9.753 -1.244 457 H ALA 55 H ALA 55 10.855 7.864 -1.747 458 HA ALA 55 HA ALA 55 11.769 10.245 -0.154 459 HB1 ALA 55 3HB ALA 55 14.032 9.121 -0.348 460 HB2 ALA 55 1HB ALA 55 12.806 8.092 0.400 461 HB3 ALA 55 2HB ALA 55 13.302 7.815 -1.289 462 H TRP 56 H TRP 56 12.448 9.014 -3.536 463 HA TRP 56 HA TRP 56 13.950 11.524 -4.168 464 HB2 TRP 56 1HB TRP 56 14.301 9.187 -5.326 465 HB3 TRP 56 2HB TRP 56 12.907 9.589 -6.323 466 HD1 TRP 56 HD1 TRP 56 16.638 10.570 -5.658 467 HE1 TRP 56 HE1 TRP 56 17.585 12.313 -7.384 468 HE3 TRP 56 HE3 TRP 56 12.176 11.628 -7.996 469 HZ2 TRP 56 HZ2 TRP 56 16.405 13.928 -9.399 470 HZ3 TRP 56 HZ3 TRP 56 12.164 13.347 -9.787 471 HH2 TRP 56 HH2 TRP 56 14.232 14.476 -10.471 472 H ILE 57 H ILE 57 10.603 10.390 -4.768 473 HA ILE 57 HA ILE 57 9.696 13.044 -5.845 474 HB ILE 57 HB ILE 57 8.258 10.578 -4.734 475 HG12 ILE 57 1HG1 ILE 57 9.199 10.142 -6.907 476 HG13 ILE 57 2HG1 ILE 57 7.462 10.152 -6.929 477 HG21 ILE 57 1HG2 ILE 57 6.613 12.779 -5.999 478 HG22 ILE 57 2HG2 ILE 57 6.179 11.258 -5.136 479 HG23 ILE 57 3HG2 ILE 57 6.803 12.623 -4.261 480 HD11 ILE 57 3HD1 ILE 57 7.530 12.513 -8.007 481 HD12 ILE 57 1HD1 ILE 57 9.297 12.356 -8.084 482 HD13 ILE 57 2HD1 ILE 57 8.254 11.210 -8.963 483 H GLY 58 H GLY 58 10.957 12.501 -2.849 484 HA2 GLY 58 1HA GLY 58 9.552 15.026 -1.818 485 HA3 GLY 58 2HA GLY 58 10.167 13.828 -0.701 486 H THR 59 H THR 59 12.754 13.457 -2.190 487 HA THR 59 HA THR 59 14.420 15.137 -0.799 488 HB THR 59 HB THR 59 15.107 14.283 -3.691 489 HG1 THR 59 HG1 THR 59 15.910 12.420 -2.629 490 HG21 THR 59 3HG2 THR 59 17.429 13.986 -2.799 491 HG22 THR 59 1HG2 THR 59 16.938 15.664 -2.545 492 HG23 THR 59 2HG2 THR 59 16.918 14.526 -1.184 493 H ALA 60 H ALA 60 13.249 16.005 -3.958 494 HA ALA 60 HA ALA 60 13.685 18.955 -3.347 495 HB1 ALA 60 3HB ALA 60 14.213 17.767 -6.168 496 HB2 ALA 60 1HB ALA 60 14.270 19.493 -5.732 497 HB3 ALA 60 2HB ALA 60 15.458 18.369 -5.047 498 H ALA 61 H ALA 61 11.650 16.563 -4.955 499 HA ALA 61 HA ALA 61 9.702 18.480 -6.022 500 HB1 ALA 61 3HB ALA 61 9.467 15.488 -5.415 501 HB2 ALA 61 1HB ALA 61 8.305 16.415 -6.380 502 HB3 ALA 61 2HB ALA 61 9.983 16.211 -6.945 503 H TYR 62 H TYR 62 9.978 17.250 -2.840 504 HA TYR 62 HA TYR 62 7.292 17.521 -1.824 505 HB2 TYR 62 1HB TYR 62 9.330 16.724 -0.480 506 HB3 TYR 62 2HB TYR 62 9.826 18.383 -0.310 507 HD1 TYR 62 HD1 TYR 62 6.416 16.610 0.138 508 HD2 TYR 62 HD2 TYR 62 9.541 18.959 1.962 509 HE1 TYR 62 HE1 TYR 62 5.182 16.621 2.280 510 HE2 TYR 62 HE2 TYR 62 8.283 18.966 4.074 511 HH TYR 62 HH TYR 62 5.135 17.349 4.400 512 H THR 63 H THR 63 9.596 20.238 -2.265 513 HA THR 63 HA THR 63 7.711 22.271 -1.235 514 HB THR 63 HB THR 63 10.088 22.663 -1.228 515 HG1 THR 63 HG1 THR 63 9.802 24.805 -2.371 516 HG21 THR 63 3HG2 THR 63 11.285 23.572 -3.232 517 HG22 THR 63 1HG2 THR 63 10.915 21.861 -3.445 518 HG23 THR 63 2HG2 THR 63 9.943 23.074 -4.291 519 H ALA 64 H ALA 64 8.008 20.812 -4.399 520 HA ALA 64 HA ALA 64 6.125 22.775 -5.742 521 HB1 ALA 64 3HB ALA 64 6.301 21.209 -7.718 522 HB2 ALA 64 1HB ALA 64 7.902 21.761 -7.158 523 HB3 ALA 64 2HB ALA 64 7.344 20.120 -6.769 524 H TRP 65 H TRP 65 6.128 19.403 -4.609 525 HA TRP 65 HA TRP 65 3.310 18.795 -5.047 526 HB2 TRP 65 1HB TRP 65 5.590 17.364 -4.226 527 HB3 TRP 65 2HB TRP 65 4.756 17.515 -2.696 528 HD1 TRP 65 HD1 TRP 65 4.455 15.933 -6.244 529 HE1 TRP 65 HE1 TRP 65 2.545 14.164 -6.408 530 HE3 TRP 65 HE3 TRP 65 2.373 16.865 -1.638 531 HZ2 TRP 65 HZ2 TRP 65 0.306 13.527 -4.749 532 HZ3 TRP 65 HZ3 TRP 65 0.304 15.643 -1.013 533 HH2 TRP 65 HH2 TRP 65 -0.689 13.981 -2.518 534 H LYS 66 H LYS 66 4.870 20.240 -2.208 535 HA LYS 66 HA LYS 66 2.439 20.532 -0.565 536 HB2 LYS 66 1HB LYS 66 5.205 21.886 -0.610 537 HB3 LYS 66 2HB LYS 66 3.997 22.453 0.490 538 HG2 LYS 66 1HG LYS 66 4.897 19.499 0.351 539 HG3 LYS 66 2HG LYS 66 5.697 20.676 1.353 540 HD2 LYS 66 1HD LYS 66 2.748 19.814 1.568 541 HD3 LYS 66 2HD LYS 66 4.066 19.181 2.526 542 HE2 LYS 66 1HE LYS 66 4.470 21.356 3.650 543 HE3 LYS 66 2HE LYS 66 3.291 22.180 2.598 544 HZ1 LYS 66 3HZ LYS 66 1.563 20.562 3.387 545 HZ2 LYS 66 1HZ LYS 66 2.609 19.912 4.453 546 HZ3 LYS 66 2HZ LYS 66 2.096 21.481 4.658 547 H ALA 67 H ALA 67 3.828 22.812 -2.993 548 HA ALA 67 HA ALA 67 1.641 24.793 -2.678 549 HB1 ALA 67 3HB ALA 67 3.829 25.242 -3.907 550 HB2 ALA 67 1HB ALA 67 3.266 24.197 -5.239 551 HB3 ALA 67 2HB ALA 67 2.381 25.686 -4.824 552 H LYS 68 H LYS 68 1.902 21.891 -4.764 553 HA LYS 68 HA LYS 68 -0.836 22.250 -5.926 554 HB2 LYS 68 1HB LYS 68 1.251 19.980 -5.936 555 HB3 LYS 68 2HB LYS 68 -0.301 19.757 -6.712 556 HG2 LYS 68 1HG LYS 68 0.086 21.180 -8.474 557 HG3 LYS 68 2HG LYS 68 1.006 22.341 -7.529 558 HD2 LYS 68 1HD LYS 68 2.986 20.779 -7.453 559 HD3 LYS 68 2HD LYS 68 2.110 19.589 -8.376 560 HE2 LYS 68 1HE LYS 68 3.695 20.769 -9.803 561 HE3 LYS 68 2HE LYS 68 2.055 21.063 -10.383 562 HZ1 LYS 68 3HZ LYS 68 3.546 23.156 -10.209 563 HZ2 LYS 68 1HZ LYS 68 2.110 23.310 -9.428 564 HZ3 LYS 68 2HZ LYS 68 3.469 23.021 -8.567 565 H HIS 69 H HIS 69 0.197 20.475 -3.055 566 HA HIS 69 HA HIS 69 -2.687 19.689 -2.496 567 HB2 HIS 69 1HB HIS 69 -0.286 17.780 -2.896 568 HB3 HIS 69 2HB HIS 69 -1.597 17.284 -1.844 569 HD1 HIS 69 HD1 HIS 69 -4.206 17.459 -3.116 570 HD2 HIS 69 HD2 HIS 69 -0.640 17.077 -5.460 571 HE1 HIS 69 HE1 HIS 69 -4.784 16.369 -5.391 572 HE2 HIS 69 HE2 HIS 69 -2.707 16.259 -6.944 573 HA PRO 70 HA PRO 70 -1.594 21.245 1.292 574 HB2 PRO 70 1HB PRO 70 -3.381 20.240 3.181 575 HB3 PRO 70 2HB PRO 70 -3.837 21.183 1.754 576 HG2 PRO 70 1HG PRO 70 -3.813 18.100 1.944 577 HG3 PRO 70 2HG PRO 70 -5.170 19.146 1.451 578 HD2 PRO 70 1HD PRO 70 -3.526 18.016 -0.431 579 HD3 PRO 70 2HD PRO 70 -4.120 19.699 -0.658 580 H ASP 71 H ASP 71 -1.914 18.287 3.371 581 HA ASP 71 HA ASP 71 0.987 17.725 2.587 582 HB2 ASP 71 1HB ASP 71 0.675 18.949 4.914 583 HB3 ASP 71 2HB ASP 71 0.055 17.446 5.514 584 H GLU 72 H GLU 72 -0.982 16.535 1.343 585 HA GLU 72 HA GLU 72 -1.718 13.997 2.471 586 HB2 GLU 72 1HB GLU 72 -2.397 15.417 0.063 587 HB3 GLU 72 2HB GLU 72 -1.791 13.875 -0.498 588 HG2 GLU 72 1HG GLU 72 -4.080 13.433 -0.131 589 HG3 GLU 72 2HG GLU 72 -3.341 12.739 1.284 590 H LYS 73 H LYS 73 1.257 14.527 0.762 591 HA LYS 73 HA LYS 73 1.776 11.539 0.375 592 HB2 LYS 73 1HB LYS 73 2.329 13.047 -1.521 593 HB3 LYS 73 2HB LYS 73 3.373 14.011 -0.494 594 HG2 LYS 73 1HG LYS 73 4.540 11.437 -0.221 595 HG3 LYS 73 2HG LYS 73 3.768 11.265 -1.742 596 HD2 LYS 73 1HD LYS 73 5.578 12.191 -2.641 597 HD3 LYS 73 2HD LYS 73 5.031 13.763 -2.136 598 HE2 LYS 73 1HE LYS 73 7.128 11.907 -0.826 599 HE3 LYS 73 2HE LYS 73 7.372 13.474 -1.566 600 HZ1 LYS 73 3HZ LYS 73 5.664 14.164 0.449 601 HZ2 LYS 73 1HZ LYS 73 6.325 12.831 1.135 602 HZ3 LYS 73 2HZ LYS 73 7.302 14.084 0.705 603 H PHE 74 H PHE 74 3.333 10.520 1.639 604 HA PHE 74 HA PHE 74 3.721 11.522 4.374 605 HB2 PHE 74 1HB PHE 74 3.599 9.030 3.451 606 HB3 PHE 74 2HB PHE 74 5.283 9.199 3.062 607 HD1 PHE 74 HD1 PHE 74 2.779 8.998 5.779 608 HD2 PHE 74 HD2 PHE 74 6.997 9.379 4.973 609 HE1 PHE 74 HE1 PHE 74 3.283 8.435 8.119 610 HE2 PHE 74 HE2 PHE 74 7.483 8.839 7.331 611 HZ PHE 74 HZ PHE 74 5.630 8.369 8.908 612 HA PRO 75 HA PRO 75 7.592 13.832 3.327 613 HB2 PRO 75 1HB PRO 75 8.393 14.730 5.803 614 HB3 PRO 75 2HB PRO 75 6.915 15.279 4.984 615 HG2 PRO 75 1HG PRO 75 7.120 13.045 7.098 616 HG3 PRO 75 2HG PRO 75 6.060 14.480 7.154 617 HD2 PRO 75 1HD PRO 75 5.136 12.059 6.204 618 HD3 PRO 75 2HD PRO 75 4.609 13.576 5.395 619 H ALA 76 H ALA 76 8.248 11.641 2.664 620 HA ALA 76 HA ALA 76 10.381 10.308 4.207 621 HB1 ALA 76 3HB ALA 76 9.336 9.890 1.329 622 HB2 ALA 76 1HB ALA 76 10.438 8.788 2.171 623 HB3 ALA 76 2HB ALA 76 8.798 9.047 2.801 624 H PHE 77 H PHE 77 12.481 10.305 3.957 625 HA PHE 77 HA PHE 77 13.854 12.179 1.962 626 HB2 PHE 77 1HB PHE 77 15.485 12.728 3.584 627 HB3 PHE 77 2HB PHE 77 13.963 12.880 4.393 628 HD1 PHE 77 HD2 PHE 77 13.298 11.111 6.172 629 HD2 PHE 77 HD1 PHE 77 17.177 11.064 4.289 630 HE1 PHE 77 HE2 PHE 77 14.142 9.592 7.920 631 HE2 PHE 77 HE1 PHE 77 18.002 9.552 6.038 632 HZ PHE 77 HZ PHE 77 16.492 8.810 7.862 633 HA PRO 78 HA PRO 78 16.033 8.402 0.577 634 HB2 PRO 78 1HB PRO 78 18.364 9.371 -0.556 635 HB3 PRO 78 2HB PRO 78 16.740 9.705 -1.206 636 HG2 PRO 78 1HG PRO 78 18.386 11.505 0.686 637 HG3 PRO 78 2HG PRO 78 17.671 11.976 -0.878 638 HD2 PRO 78 1HD PRO 78 16.364 12.471 1.504 639 HD3 PRO 78 2HD PRO 78 15.418 11.983 0.067 640 H GLY 79 H GLY 79 16.287 7.360 2.492 641 HA2 GLY 79 1HA GLY 79 18.959 7.573 4.019 642 HA3 GLY 79 2HA GLY 79 17.422 7.070 4.714 Start of MODEL 3 1 H1 PHE 1 1H PHE 1 -15.100 13.677 -1.238 2 H2 PHE 1 2H PHE 1 -14.714 12.482 -2.286 3 HA PHE 1 HA PHE 1 -13.536 14.485 -2.800 4 HB2 PHE 1 1HB PHE 1 -12.901 14.310 0.175 5 HB3 PHE 1 2HB PHE 1 -11.536 14.757 -0.787 6 HD1 PHE 1 HD1 PHE 1 -11.546 16.849 -2.218 7 HD2 PHE 1 HD2 PHE 1 -14.847 15.895 0.385 8 HE1 PHE 1 HE1 PHE 1 -12.350 19.171 -2.375 9 HE2 PHE 1 HE2 PHE 1 -15.637 18.223 0.217 10 HZ PHE 1 HZ PHE 1 -14.396 19.863 -1.164 11 H ASN 2 H ASN 2 -11.687 14.401 -3.886 12 HA ASN 2 HA ASN 2 -10.252 11.816 -4.254 13 HB2 ASN 2 1HB ASN 2 -10.731 13.533 -6.068 14 HB3 ASN 2 2HB ASN 2 -9.596 14.643 -5.309 15 HD21 ASN 2 1HD2 ASN 2 -8.265 14.658 -7.134 16 HD22 ASN 2 2HD2 ASN 2 -7.395 13.151 -7.716 17 H VAL 3 H VAL 3 -9.386 14.845 -2.610 18 HA VAL 3 HA VAL 3 -6.602 14.059 -1.982 19 HB VAL 3 HB VAL 3 -7.317 16.398 -2.193 20 HG11 VAL 3 1HG1 VAL 3 -9.496 16.394 -0.847 21 HG12 VAL 3 2HG1 VAL 3 -8.548 16.240 0.639 22 HG13 VAL 3 3HG1 VAL 3 -8.365 17.676 -0.391 23 HG21 VAL 3 3HG2 VAL 3 -5.972 15.772 0.512 24 HG22 VAL 3 1HG2 VAL 3 -5.167 15.831 -1.070 25 HG23 VAL 3 2HG2 VAL 3 -5.889 17.300 -0.390 26 H LYS 4 H LYS 4 -6.045 12.504 -0.660 27 HA LYS 4 HA LYS 4 -7.460 12.077 1.995 28 HB2 LYS 4 1HB LYS 4 -8.576 10.548 0.237 29 HB3 LYS 4 2HB LYS 4 -7.022 9.749 0.010 30 HG2 LYS 4 1HG LYS 4 -7.105 9.341 2.663 31 HG3 LYS 4 2HG LYS 4 -8.798 9.810 2.541 32 HD2 LYS 4 1HD LYS 4 -9.217 7.928 0.919 33 HD3 LYS 4 2HD LYS 4 -7.483 7.558 0.870 34 HE2 LYS 4 1HE LYS 4 -7.529 7.096 3.403 35 HE3 LYS 4 2HE LYS 4 -9.274 7.373 3.402 36 HZ1 LYS 4 3HZ LYS 4 -7.829 5.202 1.872 37 HZ2 LYS 4 1HZ LYS 4 -8.858 4.970 3.129 38 HZ3 LYS 4 2HZ LYS 4 -9.437 5.500 1.683 39 H GLN 5 H GLN 5 -5.967 11.854 3.515 40 HA GLN 5 HA GLN 5 -3.109 11.406 3.036 41 HB2 GLN 5 1HB GLN 5 -4.822 12.011 5.393 42 HB3 GLN 5 2HB GLN 5 -3.706 10.756 5.826 43 HG2 GLN 5 1HG GLN 5 -2.968 13.469 4.578 44 HG3 GLN 5 2HG GLN 5 -2.887 13.066 6.280 45 HE21 GLN 5 1HE2 GLN 5 -0.730 14.083 4.913 46 HE22 GLN 5 2HE2 GLN 5 0.531 12.768 4.738 47 H LYS 6 H LYS 6 -1.924 9.711 4.386 48 HA LYS 6 HA LYS 6 -2.338 7.520 2.436 49 HB2 LYS 6 1HB LYS 6 0.023 7.946 4.363 50 HB3 LYS 6 2HB LYS 6 0.031 6.920 2.946 51 HG2 LYS 6 1HG LYS 6 -0.050 9.996 3.018 52 HG3 LYS 6 2HG LYS 6 1.281 8.944 2.644 53 HD2 LYS 6 1HD LYS 6 0.668 9.841 0.670 54 HD3 LYS 6 2HD LYS 6 0.232 8.194 0.538 55 HE2 LYS 6 1HE LYS 6 -2.164 8.646 0.572 56 HE3 LYS 6 2HE LYS 6 -1.960 10.229 1.267 57 HZ1 LYS 6 3HZ LYS 6 -1.100 11.101 -0.755 58 HZ2 LYS 6 1HZ LYS 6 -0.635 9.659 -1.375 59 HZ3 LYS 6 2HZ LYS 6 -2.244 10.121 -1.331 60 H SER 7 H SER 7 -1.948 5.327 2.774 61 HA SER 7 HA SER 7 -2.657 4.205 5.544 62 HB2 SER 7 1HB SER 7 -3.875 3.276 2.856 63 HB3 SER 7 2HB SER 7 -4.027 2.415 4.392 64 HG SER 7 HG SER 7 -4.588 5.130 4.474 65 H GLU 8 H GLU 8 -0.733 3.308 6.059 66 HA GLU 8 HA GLU 8 0.621 1.427 4.037 67 HB2 GLU 8 1HB GLU 8 1.851 2.742 6.533 68 HB3 GLU 8 2HB GLU 8 2.606 1.526 5.511 69 HG2 GLU 8 1HG GLU 8 2.202 3.232 3.497 70 HG3 GLU 8 2HG GLU 8 1.902 4.426 4.743 71 H ILE 9 H ILE 9 -0.458 -0.469 4.298 72 HA ILE 9 HA ILE 9 -1.083 -1.429 7.142 73 HB ILE 9 HB ILE 9 -2.335 -2.426 4.546 74 HG12 ILE 9 1HG1 ILE 9 -3.083 -0.129 4.767 75 HG13 ILE 9 2HG1 ILE 9 -4.398 -1.231 5.094 76 HG21 ILE 9 1HG2 ILE 9 -2.471 -4.139 6.304 77 HG22 ILE 9 2HG2 ILE 9 -3.159 -2.980 7.452 78 HG23 ILE 9 3HG2 ILE 9 -4.075 -3.466 5.992 79 HD11 ILE 9 3HD1 ILE 9 -2.810 0.332 7.252 80 HD12 ILE 9 1HD1 ILE 9 -4.443 0.693 6.663 81 HD13 ILE 9 2HD1 ILE 9 -4.150 -0.786 7.599 82 H THR 10 H THR 10 -0.386 -3.238 7.874 83 HA THR 10 HA THR 10 1.936 -4.550 6.917 84 HB THR 10 HB THR 10 -0.214 -5.380 9.002 85 HG1 THR 10 HG1 THR 10 1.390 -4.329 10.423 86 HG21 THR 10 3HG2 THR 10 2.797 -6.110 9.066 87 HG22 THR 10 1HG2 THR 10 1.633 -6.370 10.385 88 HG23 THR 10 2HG2 THR 10 1.448 -7.261 8.880 89 H ALA 11 H ALA 11 2.358 -6.753 6.542 90 HA ALA 11 HA ALA 11 0.888 -7.912 4.402 91 HB1 ALA 11 3HB ALA 11 2.504 -9.885 4.712 92 HB2 ALA 11 1HB ALA 11 3.275 -8.297 4.654 93 HB3 ALA 11 2HB ALA 11 3.068 -9.139 6.219 94 H LEU 12 H LEU 12 -0.478 -9.476 4.130 95 HA LEU 12 HA LEU 12 -1.735 -10.905 6.515 96 HB2 LEU 12 1HB LEU 12 -3.170 -9.138 5.224 97 HB3 LEU 12 2HB LEU 12 -3.093 -10.228 3.828 98 HG LEU 12 HG LEU 12 -4.300 -12.001 5.205 99 HD11 LEU 12 1HD1 LEU 12 -4.551 -9.709 7.300 100 HD12 LEU 12 2HD1 LEU 12 -5.460 -11.234 7.329 101 HD13 LEU 12 3HD1 LEU 12 -3.711 -11.246 7.558 102 HD21 LEU 12 3HD2 LEU 12 -6.503 -10.864 5.056 103 HD22 LEU 12 1HD2 LEU 12 -5.732 -9.262 4.978 104 HD23 LEU 12 2HD2 LEU 12 -5.509 -10.448 3.654 105 H VAL 13 H VAL 13 -2.347 -13.013 6.099 106 HA VAL 13 HA VAL 13 -0.584 -14.731 4.474 107 HB VAL 13 HB VAL 13 -2.161 -16.583 5.163 108 HG11 VAL 13 1HG1 VAL 13 -0.191 -16.006 6.584 109 HG12 VAL 13 2HG1 VAL 13 -1.181 -14.885 7.543 110 HG13 VAL 13 3HG1 VAL 13 -1.542 -16.626 7.549 111 HG21 VAL 13 3HG2 VAL 13 -3.738 -14.453 6.761 112 HG22 VAL 13 1HG2 VAL 13 -4.334 -15.360 5.354 113 HG23 VAL 13 2HG2 VAL 13 -3.935 -16.202 6.865 114 H LYS 14 H LYS 14 -1.041 -15.922 2.637 115 HA LYS 14 HA LYS 14 -2.684 -14.677 0.621 116 HB2 LYS 14 1HB LYS 14 -0.664 -16.057 0.184 117 HB3 LYS 14 2HB LYS 14 -1.504 -17.524 0.667 118 HG2 LYS 14 1HG LYS 14 -3.155 -17.184 -1.263 119 HG3 LYS 14 2HG LYS 14 -2.295 -15.717 -1.723 120 HD2 LYS 14 1HD LYS 14 -0.209 -17.075 -2.209 121 HD3 LYS 14 2HD LYS 14 -0.978 -18.513 -1.555 122 HE2 LYS 14 1HE LYS 14 -1.108 -18.753 -3.925 123 HE3 LYS 14 2HE LYS 14 -2.750 -18.464 -3.355 124 HZ1 LYS 14 3HZ LYS 14 -0.971 -16.302 -4.520 125 HZ2 LYS 14 1HZ LYS 14 -2.183 -17.045 -5.355 126 HZ3 LYS 14 2HZ LYS 14 -2.529 -16.089 -4.064 127 H GLU 15 H GLU 15 -4.737 -14.766 0.127 128 HA GLU 15 HA GLU 15 -6.755 -16.258 1.387 129 HB2 GLU 15 1HB GLU 15 -6.795 -14.771 -1.322 130 HB3 GLU 15 2HB GLU 15 -8.219 -15.298 -0.451 131 HG2 GLU 15 1HG GLU 15 -7.993 -12.992 0.009 132 HG3 GLU 15 2HG GLU 15 -7.631 -13.815 1.508 133 H VAL 16 H VAL 16 -6.634 -18.401 1.307 134 HA VAL 16 HA VAL 16 -6.766 -19.924 -1.366 135 HB VAL 16 HB VAL 16 -5.566 -20.760 1.351 136 HG11 VAL 16 1HG1 VAL 16 -4.678 -22.796 0.158 137 HG12 VAL 16 2HG1 VAL 16 -6.434 -22.811 0.229 138 HG13 VAL 16 3HG1 VAL 16 -5.619 -22.376 -1.296 139 HG21 VAL 16 3HG2 VAL 16 -4.070 -20.327 -1.334 140 HG22 VAL 16 1HG2 VAL 16 -4.068 -19.153 0.003 141 HG23 VAL 16 2HG2 VAL 16 -3.363 -20.757 0.253 142 H THR 17 H THR 17 -8.374 -21.404 -1.612 143 HA THR 17 HA THR 17 -10.775 -21.183 0.175 144 HB THR 17 HB THR 17 -10.393 -22.671 -2.481 145 HG1 THR 17 HG1 THR 17 -10.470 -20.221 -2.026 146 HG21 THR 17 3HG2 THR 17 -12.338 -23.707 -1.230 147 HG22 THR 17 1HG2 THR 17 -13.005 -22.085 -0.936 148 HG23 THR 17 2HG2 THR 17 -12.873 -22.708 -2.594 149 HA PRO 18 HA PRO 18 -9.994 -25.725 1.494 150 HB2 PRO 18 1HB PRO 18 -7.685 -27.132 0.786 151 HB3 PRO 18 2HB PRO 18 -9.153 -27.071 -0.213 152 HG2 PRO 18 1HG PRO 18 -6.642 -25.309 -0.485 153 HG3 PRO 18 2HG PRO 18 -7.428 -26.267 -1.768 154 HD2 PRO 18 1HD PRO 18 -7.947 -23.575 -1.442 155 HD3 PRO 18 2HD PRO 18 -9.256 -24.660 -1.951 156 HA PRO 19 HA PRO 19 -7.719 -24.216 4.982 157 HB2 PRO 19 1HB PRO 19 -7.370 -26.364 6.702 158 HB3 PRO 19 2HB PRO 19 -8.945 -25.697 6.224 159 HG2 PRO 19 1HG PRO 19 -7.495 -28.095 4.932 160 HG3 PRO 19 2HG PRO 19 -9.152 -28.075 5.595 161 HD2 PRO 19 1HD PRO 19 -8.752 -27.685 2.906 162 HD3 PRO 19 2HD PRO 19 -9.969 -26.685 3.762 163 H ARG 20 H ARG 20 -5.989 -23.734 3.504 164 HA ARG 20 HA ARG 20 -3.263 -24.498 4.658 165 HB2 ARG 20 1HB ARG 20 -4.367 -25.179 1.970 166 HB3 ARG 20 2HB ARG 20 -3.146 -23.988 1.725 167 HG2 ARG 20 1HG ARG 20 -2.082 -26.061 1.498 168 HG3 ARG 20 2HG ARG 20 -1.464 -25.414 3.018 169 HD2 ARG 20 1HD ARG 20 -2.957 -26.894 4.344 170 HD3 ARG 20 2HD ARG 20 -3.861 -27.376 2.895 171 HE ARG 20 HE ARG 20 -1.026 -28.096 2.549 172 HH11 ARG 20 2HH2 ARG 20 -3.827 -29.084 4.356 173 HH12 ARG 20 1HH2 ARG 20 -3.277 -30.828 4.407 174 HH21 ARG 20 2HH1 ARG 20 -0.422 -30.091 2.629 175 HH22 ARG 20 1HH1 ARG 20 -1.437 -31.341 3.473 176 H LYS 21 H LYS 21 -1.825 -22.766 4.798 177 HA LYS 21 HA LYS 21 -2.650 -20.103 3.519 178 HB2 LYS 21 1HB LYS 21 -1.940 -20.545 6.488 179 HB3 LYS 21 2HB LYS 21 -1.882 -18.967 5.714 180 HG2 LYS 21 1HG LYS 21 -4.288 -19.091 5.074 181 HG3 LYS 21 2HG LYS 21 -4.431 -20.708 5.763 182 HD2 LYS 21 1HD LYS 21 -3.797 -19.845 8.037 183 HD3 LYS 21 2HD LYS 21 -3.650 -18.222 7.431 184 HE2 LYS 21 1HE LYS 21 -6.234 -19.948 7.385 185 HE3 LYS 21 2HE LYS 21 -5.839 -18.769 8.636 186 HZ1 LYS 21 3HZ LYS 21 -6.131 -17.987 5.728 187 HZ2 LYS 21 1HZ LYS 21 -7.355 -17.841 6.806 188 HZ3 LYS 21 2HZ LYS 21 -5.991 -16.954 6.992 189 H ALA 22 H ALA 22 -1.118 -19.467 2.258 190 HA ALA 22 HA ALA 22 1.762 -20.242 2.661 191 HB1 ALA 22 3HB ALA 22 0.688 -20.288 0.366 192 HB2 ALA 22 1HB ALA 22 0.523 -18.515 0.419 193 HB3 ALA 22 2HB ALA 22 2.127 -19.254 0.433 194 HA PRO 23 HA PRO 23 2.719 -16.097 4.488 195 HB2 PRO 23 1HB PRO 23 5.454 -16.231 4.698 196 HB3 PRO 23 2HB PRO 23 4.356 -17.264 5.634 197 HG2 PRO 23 1HG PRO 23 5.786 -18.007 3.000 198 HG3 PRO 23 2HG PRO 23 5.814 -18.918 4.534 199 HD2 PRO 23 1HD PRO 23 4.024 -19.544 2.503 200 HD3 PRO 23 2HD PRO 23 3.549 -19.698 4.227 201 H SER 24 H SER 24 1.787 -15.322 2.482 202 HA SER 24 HA SER 24 3.382 -14.347 0.246 203 HB2 SER 24 1HB SER 24 1.328 -13.126 -0.427 204 HB3 SER 24 2HB SER 24 1.091 -14.826 -0.063 205 HG SER 24 HG SER 24 0.607 -12.813 1.918 206 H LYS 25 H LYS 25 4.573 -12.562 0.039 207 HA LYS 25 HA LYS 25 4.868 -10.568 2.265 208 HB2 LYS 25 1HB LYS 25 6.209 -10.695 -0.510 209 HB3 LYS 25 2HB LYS 25 6.387 -9.345 0.572 210 HG2 LYS 25 1HG LYS 25 8.297 -10.636 0.900 211 HG3 LYS 25 2HG LYS 25 7.350 -10.760 2.376 212 HD2 LYS 25 1HD LYS 25 6.538 -13.052 1.679 213 HD3 LYS 25 2HD LYS 25 7.416 -12.915 0.152 214 HE2 LYS 25 1HE LYS 25 9.617 -12.778 1.423 215 HE3 LYS 25 2HE LYS 25 8.744 -12.818 2.961 216 HZ1 LYS 25 3HZ LYS 25 9.438 -15.123 2.334 217 HZ2 LYS 25 1HZ LYS 25 7.791 -15.041 2.268 218 HZ3 LYS 25 2HZ LYS 25 8.663 -15.020 0.889 219 H ALA 26 H ALA 26 3.036 -9.565 2.484 220 HA ALA 26 HA ALA 26 1.630 -8.216 0.185 221 HB1 ALA 26 3HB ALA 26 -0.346 -8.395 1.870 222 HB2 ALA 26 1HB ALA 26 0.335 -9.911 1.248 223 HB3 ALA 26 2HB ALA 26 0.758 -9.390 2.862 224 H LYS 27 H LYS 27 1.519 -6.191 -0.020 225 HA LYS 27 HA LYS 27 1.896 -4.261 2.337 226 HB2 LYS 27 1HB LYS 27 3.648 -4.574 -0.181 227 HB3 LYS 27 2HB LYS 27 3.370 -2.995 0.442 228 HG2 LYS 27 1HG LYS 27 5.102 -3.255 1.752 229 HG3 LYS 27 2HG LYS 27 4.022 -4.079 2.835 230 HD2 LYS 27 1HD LYS 27 4.791 -6.226 1.194 231 HD3 LYS 27 2HD LYS 27 6.192 -5.196 0.997 232 HE2 LYS 27 1HE LYS 27 5.000 -6.335 3.622 233 HE3 LYS 27 2HE LYS 27 6.453 -6.913 2.806 234 HZ1 LYS 27 3HZ LYS 27 7.055 -5.389 4.697 235 HZ2 LYS 27 1HZ LYS 27 7.524 -4.680 3.284 236 HZ3 LYS 27 2HZ LYS 27 6.173 -4.167 4.044 237 H ARG 28 H ARG 28 0.581 -2.666 2.357 238 HA ARG 28 HA ARG 28 -1.054 -1.921 -0.134 239 HB2 ARG 28 1HB ARG 28 -2.303 -1.742 2.629 240 HB3 ARG 28 2HB ARG 28 -3.057 -1.606 1.071 241 HG2 ARG 28 1HG ARG 28 -2.637 -4.086 0.647 242 HG3 ARG 28 2HG ARG 28 -1.860 -4.229 2.202 243 HD2 ARG 28 1HD ARG 28 -4.012 -3.632 3.402 244 HD3 ARG 28 2HD ARG 28 -4.796 -3.346 1.865 245 HE ARG 28 HE ARG 28 -4.968 -5.709 1.446 246 HH11 ARG 28 2HH2 ARG 28 -2.773 -5.253 4.111 247 HH12 ARG 28 1HH2 ARG 28 -2.745 -7.026 4.499 248 HH21 ARG 28 2HH1 ARG 28 -4.979 -7.713 1.938 249 HH22 ARG 28 1HH1 ARG 28 -3.988 -8.342 3.319 250 H GLU 29 H GLU 29 -0.239 0.043 -0.630 251 HA GLU 29 HA GLU 29 0.430 2.045 1.561 252 HB2 GLU 29 1HB GLU 29 2.538 1.321 -0.540 253 HB3 GLU 29 2HB GLU 29 2.523 2.772 0.434 254 HG2 GLU 29 1HG GLU 29 3.888 1.548 1.804 255 HG3 GLU 29 2HG GLU 29 2.382 1.106 2.548 256 H ALA 30 H ALA 30 -0.341 3.940 1.055 257 HA ALA 30 HA ALA 30 -1.000 4.765 -1.781 258 HB1 ALA 30 3HB ALA 30 -2.511 5.404 0.128 259 HB2 ALA 30 1HB ALA 30 -1.177 6.319 0.861 260 HB3 ALA 30 2HB ALA 30 -1.854 6.815 -0.683 261 HA PRO 31 HA PRO 31 2.862 7.374 -1.839 262 HB2 PRO 31 1HB PRO 31 3.698 7.014 -4.343 263 HB3 PRO 31 2HB PRO 31 3.687 5.692 -3.193 264 HG2 PRO 31 1HG PRO 31 1.522 6.264 -5.336 265 HG3 PRO 31 2HG PRO 31 2.385 4.725 -5.074 266 HD2 PRO 31 1HD PRO 31 -0.123 5.351 -3.934 267 HD3 PRO 31 2HD PRO 31 1.028 4.185 -3.206 268 H ILE 32 H ILE 32 2.259 8.329 -4.949 269 HA ILE 32 HA ILE 32 1.118 10.974 -3.946 270 HB ILE 32 HB ILE 32 2.118 12.004 -6.027 271 HG12 ILE 32 1HG1 ILE 32 3.755 9.417 -6.224 272 HG13 ILE 32 2HG1 ILE 32 2.530 9.919 -7.363 273 HG21 ILE 32 1HG2 ILE 32 3.033 12.199 -3.724 274 HG22 ILE 32 2HG2 ILE 32 4.099 10.781 -3.995 275 HG23 ILE 32 3HG2 ILE 32 4.306 12.283 -4.925 276 HD11 ILE 32 3HD1 ILE 32 4.779 10.467 -8.250 277 HD12 ILE 32 1HD1 ILE 32 4.007 12.032 -7.862 278 HD13 ILE 32 2HD1 ILE 32 5.211 11.319 -6.815 279 H LYS 33 H LYS 33 -0.747 11.653 -4.552 280 HA LYS 33 HA LYS 33 -2.430 10.329 -6.609 281 HB2 LYS 33 1HB LYS 33 -3.178 11.493 -4.416 282 HB3 LYS 33 2HB LYS 33 -2.918 13.032 -5.200 283 HG2 LYS 33 1HG LYS 33 -5.251 12.631 -5.429 284 HG3 LYS 33 2HG LYS 33 -4.644 12.225 -7.017 285 HD2 LYS 33 1HD LYS 33 -5.853 10.342 -6.745 286 HD3 LYS 33 2HD LYS 33 -4.443 9.700 -5.952 287 HE2 LYS 33 1HE LYS 33 -7.046 10.790 -4.765 288 HE3 LYS 33 2HE LYS 33 -6.464 9.154 -4.700 289 HZ1 LYS 33 3HZ LYS 33 -6.256 10.560 -2.567 290 HZ2 LYS 33 1HZ LYS 33 -4.832 9.797 -2.958 291 HZ3 LYS 33 2HZ LYS 33 -5.046 11.428 -3.195 292 H TYR 34 H TYR 34 -0.197 12.827 -6.784 293 HA TYR 34 HA TYR 34 -1.025 14.203 -9.299 294 HB2 TYR 34 1HB TYR 34 0.630 15.075 -7.563 295 HB3 TYR 34 2HB TYR 34 1.780 13.848 -8.041 296 HD1 TYR 34 HD1 TYR 34 -0.109 16.855 -9.157 297 HD2 TYR 34 HD2 TYR 34 3.180 14.236 -10.098 298 HE1 TYR 34 HE1 TYR 34 0.745 18.500 -10.775 299 HE2 TYR 34 HE2 TYR 34 4.023 15.887 -11.714 300 HH TYR 34 HH TYR 34 3.433 17.813 -12.891 301 H TRP 35 H TRP 35 0.866 11.275 -8.664 302 HA TRP 35 HA TRP 35 1.311 10.820 -11.662 303 HB2 TRP 35 1HB TRP 35 3.203 10.643 -9.876 304 HB3 TRP 35 2HB TRP 35 2.451 9.138 -9.350 305 HD1 TRP 35 HD1 TRP 35 2.387 7.060 -11.375 306 HE1 TRP 35 HE1 TRP 35 4.303 6.350 -13.034 307 HE3 TRP 35 HE3 TRP 35 4.988 11.498 -11.261 308 HZ2 TRP 35 HZ2 TRP 35 6.643 7.636 -13.999 309 HZ3 TRP 35 HZ3 TRP 35 7.107 11.653 -12.544 310 HH2 TRP 35 HH2 TRP 35 7.916 9.767 -13.886 311 H LEU 36 H LEU 36 -0.080 9.039 -8.780 312 HA LEU 36 HA LEU 36 -1.449 7.159 -10.774 313 HB2 LEU 36 1HB LEU 36 -0.866 6.677 -7.793 314 HB3 LEU 36 2HB LEU 36 -1.708 5.568 -8.866 315 HG LEU 36 HG LEU 36 1.241 6.423 -9.158 316 HD11 LEU 36 1HD1 LEU 36 0.795 5.008 -7.142 317 HD12 LEU 36 2HD1 LEU 36 0.014 3.768 -8.146 318 HD13 LEU 36 3HD1 LEU 36 1.748 4.127 -8.345 319 HD21 LEU 36 3HD2 LEU 36 1.425 4.563 -10.819 320 HD22 LEU 36 1HD2 LEU 36 -0.323 4.256 -10.732 321 HD23 LEU 36 2HD2 LEU 36 0.293 5.783 -11.399 322 HA PRO 37 HA PRO 37 -5.095 9.508 -9.311 323 HB2 PRO 37 1HB PRO 37 -7.151 8.225 -10.693 324 HB3 PRO 37 2HB PRO 37 -5.943 9.293 -11.442 325 HG2 PRO 37 1HG PRO 37 -5.825 6.215 -11.274 326 HG3 PRO 37 2HG PRO 37 -5.672 7.223 -12.737 327 HD2 PRO 37 1HD PRO 37 -3.433 6.322 -11.412 328 HD3 PRO 37 2HD PRO 37 -3.445 7.981 -12.098 329 H HIS 38 H HIS 38 -4.765 6.172 -8.543 330 HA HIS 38 HA HIS 38 -6.571 6.623 -6.083 331 HB2 HIS 38 1HB HIS 38 -7.358 4.834 -7.725 332 HB3 HIS 38 2HB HIS 38 -5.856 3.961 -7.509 333 HD1 HIS 38 HD1 HIS 38 -5.424 2.759 -5.086 334 HD2 HIS 38 HD2 HIS 38 -9.322 4.440 -5.786 335 HE1 HIS 38 HE1 HIS 38 -7.117 1.755 -3.430 336 HE2 HIS 38 HE2 HIS 38 -9.500 2.718 -3.757 337 H SER 39 H SER 39 -5.007 7.436 -4.743 338 HA SER 39 HA SER 39 -2.358 6.121 -4.282 339 HB2 SER 39 1HB SER 39 -1.982 7.698 -2.562 340 HB3 SER 39 2HB SER 39 -2.693 8.558 -3.912 341 HG SER 39 HG SER 39 -4.272 7.530 -1.784 342 H GLY 40 H GLY 40 -2.597 4.064 -3.721 343 HA2 GLY 40 1HA GLY 40 -2.749 2.973 -1.209 344 HA3 GLY 40 2HA GLY 40 -4.477 3.129 -1.500 345 H ALA 41 H ALA 41 -1.523 1.601 -2.656 346 HA ALA 41 HA ALA 41 -3.161 -0.289 -4.435 347 HB1 ALA 41 3HB ALA 41 -0.177 0.486 -4.547 348 HB2 ALA 41 1HB ALA 41 -1.029 -0.601 -5.671 349 HB3 ALA 41 2HB ALA 41 -1.494 1.096 -5.576 350 H THR 42 H THR 42 -3.571 -2.182 -3.622 351 HA THR 42 HA THR 42 -1.850 -3.547 -1.562 352 HB THR 42 HB THR 42 -4.182 -3.576 -1.158 353 HG1 THR 42 HG1 THR 42 -3.541 -6.203 -1.880 354 HG21 THR 42 3HG2 THR 42 -4.647 -5.378 -3.628 355 HG22 THR 42 1HG2 THR 42 -5.801 -4.999 -2.340 356 HG23 THR 42 2HG2 THR 42 -5.256 -3.718 -3.438 357 H TRP 43 H TRP 43 -0.105 -4.580 -2.211 358 HA TRP 43 HA TRP 43 -0.310 -6.488 -4.631 359 HB2 TRP 43 1HB TRP 43 1.342 -4.507 -4.805 360 HB3 TRP 43 2HB TRP 43 2.309 -5.270 -3.542 361 HD1 TRP 43 HD1 TRP 43 1.986 -8.470 -4.838 362 HE1 TRP 43 HE1 TRP 43 3.267 -9.124 -7.024 363 HE3 TRP 43 HE3 TRP 43 2.890 -3.677 -6.502 364 HZ2 TRP 43 HZ2 TRP 43 4.647 -7.655 -9.003 365 HZ3 TRP 43 HZ3 TRP 43 4.300 -3.397 -8.540 366 HH2 TRP 43 HH2 TRP 43 5.208 -5.363 -9.722 367 H SER 44 H SER 44 -0.827 -8.374 -3.729 368 HA SER 44 HA SER 44 0.617 -9.398 -1.220 369 HB2 SER 44 1HB SER 44 -1.896 -9.311 -1.185 370 HB3 SER 44 2HB SER 44 -1.951 -10.486 -2.511 371 HG SER 44 HG SER 44 -2.065 -11.534 -0.515 372 H GLY 45 H GLY 45 2.519 -10.182 -1.977 373 HA2 GLY 45 1HA GLY 45 2.936 -12.786 -2.954 374 HA3 GLY 45 2HA GLY 45 2.642 -11.940 -4.465 375 H ARG 46 H ARG 46 3.984 -10.085 -4.880 376 HA ARG 46 HA ARG 46 6.896 -10.460 -4.100 377 HB2 ARG 46 1HB ARG 46 6.519 -10.293 -6.444 378 HB3 ARG 46 2HB ARG 46 5.537 -8.861 -6.339 379 HG2 ARG 46 1HG ARG 46 8.476 -8.757 -5.446 380 HG3 ARG 46 2HG ARG 46 8.041 -8.767 -7.155 381 HD2 ARG 46 1HD ARG 46 6.668 -6.747 -6.954 382 HD3 ARG 46 2HD ARG 46 6.913 -6.651 -5.204 383 HE ARG 46 HE ARG 46 9.566 -6.686 -6.113 384 HH11 ARG 46 2HH2 ARG 46 6.863 -4.717 -7.055 385 HH12 ARG 46 1HH2 ARG 46 7.947 -3.290 -7.429 386 HH21 ARG 46 2HH1 ARG 46 10.760 -5.061 -6.557 387 HH22 ARG 46 1HH1 ARG 46 10.045 -3.500 -7.147 388 H GLY 47 H GLY 47 7.931 -9.017 -2.897 389 HA2 GLY 47 1HA GLY 47 6.413 -7.228 -1.038 390 HA3 GLY 47 2HA GLY 47 8.142 -7.481 -1.029 391 H LYS 48 H LYS 48 5.585 -5.768 -2.631 392 HA LYS 48 HA LYS 48 7.383 -3.599 -3.713 393 HB2 LYS 48 1HB LYS 48 5.542 -4.312 -5.006 394 HB3 LYS 48 2HB LYS 48 4.378 -4.213 -3.729 395 HG2 LYS 48 1HG LYS 48 5.782 -1.740 -4.923 396 HG3 LYS 48 2HG LYS 48 4.349 -2.431 -5.608 397 HD2 LYS 48 1HD LYS 48 4.658 -1.046 -2.927 398 HD3 LYS 48 2HD LYS 48 3.764 -0.520 -4.342 399 HE2 LYS 48 1HE LYS 48 2.026 -2.284 -3.986 400 HE3 LYS 48 2HE LYS 48 2.945 -2.982 -2.644 401 HZ1 LYS 48 3HZ LYS 48 2.056 -0.119 -2.509 402 HZ2 LYS 48 1HZ LYS 48 1.111 -1.364 -1.984 403 HZ3 LYS 48 2HZ LYS 48 2.574 -1.075 -1.282 404 H ILE 49 H ILE 49 8.342 -2.428 -2.081 405 HA ILE 49 HA ILE 49 6.466 -0.954 -0.152 406 HB ILE 49 HB ILE 49 9.522 -1.119 0.244 407 HG12 ILE 49 1HG1 ILE 49 8.789 -2.518 2.381 408 HG13 ILE 49 2HG1 ILE 49 7.333 -2.923 1.475 409 HG21 ILE 49 1HG2 ILE 49 7.202 -0.290 2.136 410 HG22 ILE 49 2HG2 ILE 49 8.953 -0.184 2.482 411 HG23 ILE 49 3HG2 ILE 49 8.228 0.836 1.232 412 HD11 ILE 49 3HD1 ILE 49 10.240 -3.508 0.549 413 HD12 ILE 49 1HD1 ILE 49 9.171 -4.675 1.350 414 HD13 ILE 49 2HD1 ILE 49 8.774 -4.084 -0.266 415 HA PRO 50 HA PRO 50 8.026 2.202 -3.231 416 HB2 PRO 50 1HB PRO 50 5.996 4.062 -3.115 417 HB3 PRO 50 2HB PRO 50 5.688 2.405 -3.680 418 HG2 PRO 50 1HG PRO 50 5.238 3.507 -0.827 419 HG3 PRO 50 2HG PRO 50 4.046 2.670 -1.850 420 HD2 PRO 50 1HD PRO 50 5.624 1.341 0.065 421 HD3 PRO 50 2HD PRO 50 5.044 0.530 -1.415 422 H LYS 51 H LYS 51 9.224 2.106 -0.779 423 HA LYS 51 HA LYS 51 9.622 4.866 0.306 424 HB2 LYS 51 1HB LYS 51 11.077 2.218 0.827 425 HB3 LYS 51 2HB LYS 51 11.716 3.716 1.460 426 HG2 LYS 51 1HG LYS 51 8.826 2.765 2.005 427 HG3 LYS 51 2HG LYS 51 10.206 2.336 3.010 428 HD2 LYS 51 1HD LYS 51 10.639 4.734 3.535 429 HD3 LYS 51 2HD LYS 51 9.341 5.272 2.490 430 HE2 LYS 51 1HE LYS 51 8.866 3.385 4.915 431 HE3 LYS 51 2HE LYS 51 8.916 5.135 5.060 432 HZ1 LYS 51 3HZ LYS 51 6.887 3.629 3.375 433 HZ2 LYS 51 1HZ LYS 51 6.547 4.425 4.715 434 HZ3 LYS 51 2HZ LYS 51 7.001 5.259 3.390 435 HA PRO 52 HA PRO 52 13.545 5.340 -2.457 436 HB2 PRO 52 1HB PRO 52 13.912 3.715 -4.702 437 HB3 PRO 52 2HB PRO 52 14.601 3.396 -3.096 438 HG2 PRO 52 1HG PRO 52 11.995 2.238 -4.258 439 HG3 PRO 52 2HG PRO 52 13.342 1.334 -3.522 440 HD2 PRO 52 1HD PRO 52 11.112 1.977 -2.065 441 HD3 PRO 52 2HD PRO 52 12.715 2.054 -1.281 442 H PHE 53 H PHE 53 10.422 4.536 -3.730 443 HA PHE 53 HA PHE 53 10.529 6.547 -5.992 444 HB2 PHE 53 1HB PHE 53 9.160 4.561 -6.344 445 HB3 PHE 53 2HB PHE 53 8.241 4.830 -4.879 446 HD1 PHE 53 HD2 PHE 53 9.048 6.523 -8.198 447 HD2 PHE 53 HD1 PHE 53 6.238 6.162 -4.957 448 HE1 PHE 53 HE2 PHE 53 7.358 7.752 -9.517 449 HE2 PHE 53 HE1 PHE 53 4.596 7.445 -6.240 450 HZ PHE 53 HZ PHE 53 5.124 8.200 -8.562 451 H GLU 54 H GLU 54 8.635 6.312 -2.898 452 HA GLU 54 HA GLU 54 7.766 9.108 -3.032 453 HB2 GLU 54 1HB GLU 54 6.631 7.164 -1.846 454 HB3 GLU 54 2HB GLU 54 7.860 7.235 -0.588 455 HG2 GLU 54 1HG GLU 54 7.122 9.609 -0.035 456 HG3 GLU 54 2HG GLU 54 5.955 9.553 -1.359 457 H ALA 55 H ALA 55 10.683 7.757 -1.763 458 HA ALA 55 HA ALA 55 11.607 10.172 -0.229 459 HB1 ALA 55 3HB ALA 55 13.817 8.946 -0.241 460 HB2 ALA 55 1HB ALA 55 12.517 7.984 0.455 461 HB3 ALA 55 2HB ALA 55 13.103 7.645 -1.194 462 H TRP 56 H TRP 56 12.366 8.791 -3.519 463 HA TRP 56 HA TRP 56 13.960 11.253 -4.164 464 HB2 TRP 56 1HB TRP 56 14.323 8.804 -5.162 465 HB3 TRP 56 2HB TRP 56 13.069 9.243 -6.317 466 HD1 TRP 56 HD1 TRP 56 13.902 11.001 -8.329 467 HE1 TRP 56 HE1 TRP 56 16.077 12.363 -8.904 468 HE3 TRP 56 HE3 TRP 56 16.436 9.997 -3.970 469 HZ2 TRP 56 HZ2 TRP 56 18.484 12.922 -7.492 470 HZ3 TRP 56 HZ3 TRP 56 18.657 11.066 -3.618 471 HH2 TRP 56 HH2 TRP 56 19.652 12.502 -5.339 472 H ILE 57 H ILE 57 10.637 10.184 -4.839 473 HA ILE 57 HA ILE 57 9.798 12.851 -5.958 474 HB ILE 57 HB ILE 57 8.355 10.448 -4.716 475 HG12 ILE 57 1HG1 ILE 57 9.201 9.960 -6.912 476 HG13 ILE 57 2HG1 ILE 57 7.466 9.955 -6.844 477 HG21 ILE 57 1HG2 ILE 57 6.686 12.668 -5.896 478 HG22 ILE 57 2HG2 ILE 57 6.267 11.138 -5.045 479 HG23 ILE 57 3HG2 ILE 57 6.960 12.458 -4.163 480 HD11 ILE 57 3HD1 ILE 57 7.394 12.205 -8.042 481 HD12 ILE 57 1HD1 ILE 57 9.174 12.221 -8.089 482 HD13 ILE 57 2HD1 ILE 57 8.269 10.960 -8.955 483 H GLY 58 H GLY 58 11.218 12.347 -3.030 484 HA2 GLY 58 1HA GLY 58 9.962 14.939 -2.010 485 HA3 GLY 58 2HA GLY 58 10.351 13.674 -0.855 486 H THR 59 H THR 59 13.042 13.295 -2.518 487 HA THR 59 HA THR 59 14.755 14.857 -0.997 488 HB THR 59 HB THR 59 15.337 14.206 -3.966 489 HG1 THR 59 HG1 THR 59 16.179 12.288 -3.106 490 HG21 THR 59 3HG2 THR 59 17.183 15.561 -2.850 491 HG22 THR 59 1HG2 THR 59 17.254 14.373 -1.534 492 HG23 THR 59 2HG2 THR 59 17.707 13.909 -3.190 493 H ALA 60 H ALA 60 13.432 15.910 -4.016 494 HA ALA 60 HA ALA 60 13.916 18.834 -3.282 495 HB1 ALA 60 3HB ALA 60 14.458 19.464 -5.642 496 HB2 ALA 60 1HB ALA 60 15.630 18.282 -5.039 497 HB3 ALA 60 2HB ALA 60 14.351 17.768 -6.163 498 H ALA 61 H ALA 61 11.901 16.564 -5.127 499 HA ALA 61 HA ALA 61 9.956 18.469 -6.126 500 HB1 ALA 61 3HB ALA 61 9.621 15.479 -5.490 501 HB2 ALA 61 1HB ALA 61 8.523 16.435 -6.503 502 HB3 ALA 61 2HB ALA 61 10.204 16.172 -7.021 503 H TYR 62 H TYR 62 10.132 17.231 -2.995 504 HA TYR 62 HA TYR 62 7.434 17.454 -1.949 505 HB2 TYR 62 1HB TYR 62 9.460 16.539 -0.712 506 HB3 TYR 62 2HB TYR 62 10.061 18.157 -0.506 507 HD1 TYR 62 HD1 TYR 62 6.829 16.190 0.103 508 HD2 TYR 62 HD2 TYR 62 9.632 19.074 1.656 509 HE1 TYR 62 HE1 TYR 62 5.575 16.290 2.228 510 HE2 TYR 62 HE2 TYR 62 8.387 19.141 3.763 511 HH TYR 62 HH TYR 62 6.709 18.214 4.961 512 H THR 63 H THR 63 9.750 20.143 -2.416 513 HA THR 63 HA THR 63 7.998 22.164 -1.154 514 HB THR 63 HB THR 63 10.415 22.448 -1.342 515 HG1 THR 63 HG1 THR 63 10.145 24.696 -2.138 516 HG21 THR 63 3HG2 THR 63 11.492 23.443 -3.301 517 HG22 THR 63 1HG2 THR 63 10.863 21.867 -3.796 518 HG23 THR 63 2HG2 THR 63 10.007 23.345 -4.272 519 H ALA 64 H ALA 64 8.130 20.963 -4.427 520 HA ALA 64 HA ALA 64 6.065 22.953 -5.458 521 HB1 ALA 64 3HB ALA 64 6.306 21.707 -7.619 522 HB2 ALA 64 1HB ALA 64 7.885 22.244 -7.017 523 HB3 ALA 64 2HB ALA 64 7.408 20.536 -6.851 524 H TRP 65 H TRP 65 6.313 19.547 -4.502 525 HA TRP 65 HA TRP 65 3.548 18.776 -5.033 526 HB2 TRP 65 1HB TRP 65 5.863 17.434 -4.224 527 HB3 TRP 65 2HB TRP 65 5.024 17.512 -2.687 528 HD1 TRP 65 HD1 TRP 65 4.989 15.749 -6.099 529 HE1 TRP 65 HE1 TRP 65 3.163 13.882 -6.216 530 HE3 TRP 65 HE3 TRP 65 2.447 16.988 -1.796 531 HZ2 TRP 65 HZ2 TRP 65 0.649 13.510 -4.920 532 HZ3 TRP 65 HZ3 TRP 65 0.311 15.816 -1.314 533 HH2 TRP 65 HH2 TRP 65 -0.564 14.102 -2.869 534 H LYS 66 H LYS 66 4.980 20.139 -2.068 535 HA LYS 66 HA LYS 66 2.491 20.226 -0.480 536 HB2 LYS 66 1HB LYS 66 5.156 21.771 -0.335 537 HB3 LYS 66 2HB LYS 66 3.878 22.067 0.812 538 HG2 LYS 66 1HG LYS 66 5.123 19.275 0.350 539 HG3 LYS 66 2HG LYS 66 5.768 20.404 1.491 540 HD2 LYS 66 1HD LYS 66 2.887 19.296 1.551 541 HD3 LYS 66 2HD LYS 66 4.231 18.579 2.404 542 HE2 LYS 66 1HE LYS 66 4.552 20.579 3.846 543 HE3 LYS 66 2HE LYS 66 3.343 21.499 2.934 544 HZ1 LYS 66 3HZ LYS 66 1.653 19.807 3.499 545 HZ2 LYS 66 1HZ LYS 66 2.706 18.914 4.370 546 HZ3 LYS 66 2HZ LYS 66 2.269 20.395 4.926 547 H ALA 67 H ALA 67 3.869 22.624 -2.743 548 HA ALA 67 HA ALA 67 1.653 24.573 -2.457 549 HB1 ALA 67 3HB ALA 67 3.484 24.030 -4.890 550 HB2 ALA 67 1HB ALA 67 2.476 25.470 -4.624 551 HB3 ALA 67 2HB ALA 67 3.845 25.141 -3.543 552 H LYS 68 H LYS 68 2.002 21.710 -4.681 553 HA LYS 68 HA LYS 68 -0.651 22.220 -5.914 554 HB2 LYS 68 1HB LYS 68 1.192 19.755 -5.926 555 HB3 LYS 68 2HB LYS 68 -0.277 19.859 -6.886 556 HG2 LYS 68 1HG LYS 68 0.515 21.534 -8.341 557 HG3 LYS 68 2HG LYS 68 1.736 22.144 -7.227 558 HD2 LYS 68 1HD LYS 68 3.098 20.101 -7.420 559 HD3 LYS 68 2HD LYS 68 1.889 19.338 -8.462 560 HE2 LYS 68 1HE LYS 68 2.231 21.341 -10.137 561 HE3 LYS 68 2HE LYS 68 3.548 21.890 -9.095 562 HZ1 LYS 68 3HZ LYS 68 3.415 19.290 -10.639 563 HZ2 LYS 68 1HZ LYS 68 4.538 20.464 -10.800 564 HZ3 LYS 68 2HZ LYS 68 4.535 19.515 -9.451 565 H HIS 69 H HIS 69 0.311 19.917 -3.331 566 HA HIS 69 HA HIS 69 -2.636 19.617 -2.652 567 HB2 HIS 69 1HB HIS 69 -0.768 17.363 -3.460 568 HB3 HIS 69 2HB HIS 69 -1.544 17.092 -1.922 569 HD1 HIS 69 HD1 HIS 69 -3.112 15.157 -2.605 570 HD2 HIS 69 HD2 HIS 69 -3.409 18.627 -5.138 571 HE1 HIS 69 HE1 HIS 69 -5.176 14.960 -4.086 572 HE2 HIS 69 HE2 HIS 69 -5.449 17.001 -5.677 573 HA PRO 70 HA PRO 70 -1.202 21.245 0.977 574 HB2 PRO 70 1HB PRO 70 -3.125 20.660 2.932 575 HB3 PRO 70 2HB PRO 70 -3.428 21.612 1.468 576 HG2 PRO 70 1HG PRO 70 -3.895 18.555 1.783 577 HG3 PRO 70 2HG PRO 70 -5.095 19.789 1.289 578 HD2 PRO 70 1HD PRO 70 -3.745 18.402 -0.640 579 HD3 PRO 70 2HD PRO 70 -3.957 20.177 -0.838 580 H ASP 71 H ASP 71 -2.208 18.508 2.991 581 HA ASP 71 HA ASP 71 0.636 17.433 2.860 582 HB2 ASP 71 1HB ASP 71 0.113 18.685 5.113 583 HB3 ASP 71 2HB ASP 71 -1.008 17.396 5.475 584 H GLU 72 H GLU 72 -0.793 16.539 1.088 585 HA GLU 72 HA GLU 72 -2.322 14.106 1.943 586 HB2 GLU 72 1HB GLU 72 -2.657 15.520 -0.328 587 HB3 GLU 72 2HB GLU 72 -1.408 14.475 -0.935 588 HG2 GLU 72 1HG GLU 72 -3.044 12.546 0.229 589 HG3 GLU 72 2HG GLU 72 -4.241 13.760 -0.088 590 H LYS 73 H LYS 73 0.895 14.594 0.560 591 HA LYS 73 HA LYS 73 1.497 11.651 0.457 592 HB2 LYS 73 1HB LYS 73 2.139 13.064 -1.406 593 HB3 LYS 73 2HB LYS 73 3.176 14.065 -0.408 594 HG2 LYS 73 1HG LYS 73 3.687 11.043 -0.397 595 HG3 LYS 73 2HG LYS 73 3.954 11.808 -1.891 596 HD2 LYS 73 1HD LYS 73 5.256 13.009 0.608 597 HD3 LYS 73 2HD LYS 73 5.813 11.494 -0.061 598 HE2 LYS 73 1HE LYS 73 5.884 12.891 -2.392 599 HE3 LYS 73 2HE LYS 73 5.903 14.287 -1.331 600 HZ1 LYS 73 3HZ LYS 73 7.879 11.961 -1.157 601 HZ2 LYS 73 1HZ LYS 73 8.219 13.409 -1.802 602 HZ3 LYS 73 2HZ LYS 73 7.911 13.265 -0.175 603 H PHE 74 H PHE 74 3.146 10.641 1.673 604 HA PHE 74 HA PHE 74 3.428 11.624 4.477 605 HB2 PHE 74 1HB PHE 74 3.121 9.148 3.753 606 HB3 PHE 74 2HB PHE 74 4.745 9.165 3.132 607 HD1 PHE 74 HD1 PHE 74 2.623 9.326 6.199 608 HD2 PHE 74 HD2 PHE 74 6.679 9.153 4.756 609 HE1 PHE 74 HE1 PHE 74 3.414 8.793 8.468 610 HE2 PHE 74 HE2 PHE 74 7.458 8.628 7.040 611 HZ PHE 74 HZ PHE 74 5.828 8.447 8.897 612 HA PRO 75 HA PRO 75 7.233 13.854 3.248 613 HB2 PRO 75 1HB PRO 75 8.156 14.800 5.674 614 HB3 PRO 75 2HB PRO 75 6.639 15.322 4.912 615 HG2 PRO 75 1HG PRO 75 6.947 13.125 7.050 616 HG3 PRO 75 2HG PRO 75 5.891 14.562 7.135 617 HD2 PRO 75 1HD PRO 75 4.898 12.148 6.261 618 HD3 PRO 75 2HD PRO 75 4.373 13.652 5.441 619 H ALA 76 H ALA 76 7.864 11.648 2.636 620 HA ALA 76 HA ALA 76 10.032 10.316 4.044 621 HB1 ALA 76 3HB ALA 76 9.066 9.987 1.130 622 HB2 ALA 76 1HB ALA 76 10.019 8.805 2.041 623 HB3 ALA 76 2HB ALA 76 8.354 9.185 2.549 624 H PHE 77 H PHE 77 12.111 10.484 3.935 625 HA PHE 77 HA PHE 77 13.532 12.231 1.855 626 HB2 PHE 77 1HB PHE 77 15.184 12.764 3.502 627 HB3 PHE 77 2HB PHE 77 13.635 13.046 4.227 628 HD1 PHE 77 HD2 PHE 77 12.800 11.472 6.086 629 HD2 PHE 77 HD1 PHE 77 16.728 11.009 4.368 630 HE1 PHE 77 HE2 PHE 77 13.460 10.010 7.956 631 HE2 PHE 77 HE1 PHE 77 17.367 9.542 6.228 632 HZ PHE 77 HZ PHE 77 15.737 9.037 8.036 633 HA PRO 78 HA PRO 78 15.778 8.397 0.685 634 HB2 PRO 78 1HB PRO 78 18.123 9.341 -0.443 635 HB3 PRO 78 2HB PRO 78 16.514 9.612 -1.156 636 HG2 PRO 78 1HG PRO 78 18.065 11.544 0.690 637 HG3 PRO 78 2HG PRO 78 17.414 11.911 -0.926 638 HD2 PRO 78 1HD PRO 78 15.983 12.526 1.350 639 HD3 PRO 78 2HD PRO 78 15.116 11.912 -0.094 640 H GLY 79 H GLY 79 16.212 7.248 2.442 641 HA2 GLY 79 1HA GLY 79 18.900 7.550 3.906 642 HA3 GLY 79 2HA GLY 79 17.386 7.526 4.820 Start of MODEL 4 1 H1 PHE 1 1H PHE 1 -11.501 8.058 -2.002 2 H2 PHE 1 2H PHE 1 -10.354 8.004 -3.163 3 HA PHE 1 HA PHE 1 -11.707 9.948 -3.350 4 HB2 PHE 1 1HB PHE 1 -11.169 10.046 -0.405 5 HB3 PHE 1 2HB PHE 1 -10.689 11.551 -1.097 6 HD1 PHE 1 HD2 PHE 1 -13.592 9.275 -0.564 7 HD2 PHE 1 HD1 PHE 1 -12.369 13.092 -2.155 8 HE1 PHE 1 HE2 PHE 1 -15.946 9.985 -0.703 9 HE2 PHE 1 HE1 PHE 1 -14.729 13.776 -2.300 10 HZ PHE 1 HZ PHE 1 -16.522 12.227 -1.580 11 H ASN 2 H ASN 2 -10.906 12.147 -3.804 12 HA ASN 2 HA ASN 2 -8.262 11.986 -5.155 13 HB2 ASN 2 1HB ASN 2 -10.180 13.299 -6.144 14 HB3 ASN 2 2HB ASN 2 -10.014 14.500 -4.875 15 HD21 ASN 2 1HD2 ASN 2 -8.632 13.280 -7.829 16 HD22 ASN 2 2HD2 ASN 2 -7.355 14.595 -7.945 17 H VAL 3 H VAL 3 -9.413 13.958 -2.349 18 HA VAL 3 HA VAL 3 -6.475 14.176 -1.519 19 HB VAL 3 HB VAL 3 -7.740 16.301 -1.649 20 HG11 VAL 3 1HG1 VAL 3 -9.941 15.666 -0.545 21 HG12 VAL 3 2HG1 VAL 3 -9.100 15.498 1.008 22 HG13 VAL 3 3HG1 VAL 3 -9.152 17.073 0.194 23 HG21 VAL 3 3HG2 VAL 3 -6.416 15.587 1.044 24 HG22 VAL 3 1HG2 VAL 3 -5.600 16.075 -0.472 25 HG23 VAL 3 2HG2 VAL 3 -6.648 17.225 0.388 26 H LYS 4 H LYS 4 -5.915 12.351 -0.627 27 HA LYS 4 HA LYS 4 -7.451 11.358 1.792 28 HB2 LYS 4 1HB LYS 4 -8.397 10.093 -0.147 29 HB3 LYS 4 2HB LYS 4 -6.804 9.521 -0.596 30 HG2 LYS 4 1HG LYS 4 -7.980 7.751 0.522 31 HG3 LYS 4 2HG LYS 4 -6.603 8.210 1.519 32 HD2 LYS 4 1HD LYS 4 -8.154 9.609 2.989 33 HD3 LYS 4 2HD LYS 4 -9.535 9.121 2.032 34 HE2 LYS 4 1HE LYS 4 -7.646 7.167 3.557 35 HE3 LYS 4 2HE LYS 4 -9.072 7.904 4.280 36 HZ1 LYS 4 3HZ LYS 4 -10.486 6.832 2.542 37 HZ2 LYS 4 1HZ LYS 4 -9.181 6.149 1.824 38 HZ3 LYS 4 2HZ LYS 4 -9.633 5.669 3.333 39 H GLN 5 H GLN 5 -6.050 11.311 3.343 40 HA GLN 5 HA GLN 5 -3.137 11.223 3.032 41 HB2 GLN 5 1HB GLN 5 -5.088 11.163 5.409 42 HB3 GLN 5 2HB GLN 5 -3.412 10.810 5.721 43 HG2 GLN 5 1HG GLN 5 -4.239 13.367 4.220 44 HG3 GLN 5 2HG GLN 5 -4.200 13.241 5.975 45 HE21 GLN 5 1HE2 GLN 5 -2.658 14.933 5.848 46 HE22 GLN 5 2HE2 GLN 5 -0.960 14.616 5.211 47 H LYS 6 H LYS 6 -1.788 9.817 4.378 48 HA LYS 6 HA LYS 6 -1.703 7.467 2.735 49 HB2 LYS 6 1HB LYS 6 0.160 8.952 4.528 50 HB3 LYS 6 2HB LYS 6 0.431 7.247 4.658 51 HG2 LYS 6 1HG LYS 6 1.894 7.950 3.032 52 HG3 LYS 6 2HG LYS 6 0.707 7.006 2.190 53 HD2 LYS 6 1HD LYS 6 0.905 10.088 2.267 54 HD3 LYS 6 2HD LYS 6 1.592 9.033 1.035 55 HE2 LYS 6 1HE LYS 6 -0.881 8.207 0.575 56 HE3 LYS 6 2HE LYS 6 -1.415 9.582 1.539 57 HZ1 LYS 6 3HZ LYS 6 -1.278 10.204 -0.846 58 HZ2 LYS 6 1HZ LYS 6 -0.225 11.061 0.053 59 HZ3 LYS 6 2HZ LYS 6 0.337 9.817 -0.917 60 H SER 7 H SER 7 -1.589 5.347 3.026 61 HA SER 7 HA SER 7 -2.752 4.158 5.624 62 HB2 SER 7 1HB SER 7 -4.299 2.798 4.304 63 HB3 SER 7 2HB SER 7 -4.565 4.496 3.897 64 HG SER 7 HG SER 7 -2.822 2.782 2.442 65 H GLU 8 H GLU 8 -0.635 3.358 6.188 66 HA GLU 8 HA GLU 8 0.641 1.340 4.277 67 HB2 GLU 8 1HB GLU 8 1.915 2.646 6.740 68 HB3 GLU 8 2HB GLU 8 2.632 1.426 5.696 69 HG2 GLU 8 1HG GLU 8 2.096 3.138 3.692 70 HG3 GLU 8 2HG GLU 8 1.924 4.325 4.965 71 H ILE 9 H ILE 9 -0.343 -0.580 4.513 72 HA ILE 9 HA ILE 9 -1.023 -1.579 7.343 73 HB ILE 9 HB ILE 9 -2.352 -2.280 4.679 74 HG12 ILE 9 1HG1 ILE 9 -3.052 -0.045 5.289 75 HG13 ILE 9 2HG1 ILE 9 -4.379 -1.163 5.485 76 HG21 ILE 9 1HG2 ILE 9 -2.494 -4.265 6.094 77 HG22 ILE 9 2HG2 ILE 9 -3.135 -3.325 7.459 78 HG23 ILE 9 3HG2 ILE 9 -4.080 -3.511 5.952 79 HD11 ILE 9 3HD1 ILE 9 -4.344 0.473 7.348 80 HD12 ILE 9 1HD1 ILE 9 -4.013 -1.134 8.027 81 HD13 ILE 9 2HD1 ILE 9 -2.688 0.029 7.794 82 H THR 10 H THR 10 -0.618 -3.608 7.898 83 HA THR 10 HA THR 10 1.874 -4.801 6.824 84 HB THR 10 HB THR 10 0.032 -5.411 9.232 85 HG1 THR 10 HG1 THR 10 1.399 -3.429 8.932 86 HG21 THR 10 3HG2 THR 10 2.885 -6.511 8.822 87 HG22 THR 10 1HG2 THR 10 1.929 -6.552 10.318 88 HG23 THR 10 2HG2 THR 10 1.392 -7.488 8.916 89 H ALA 11 H ALA 11 2.191 -7.009 6.448 90 HA ALA 11 HA ALA 11 0.697 -7.900 4.283 91 HB1 ALA 11 3HB ALA 11 2.735 -9.546 5.916 92 HB2 ALA 11 1HB ALA 11 2.372 -9.727 4.188 93 HB3 ALA 11 2HB ALA 11 3.145 -8.261 4.751 94 H LEU 12 H LEU 12 -0.964 -9.010 3.919 95 HA LEU 12 HA LEU 12 -2.304 -10.782 5.983 96 HB2 LEU 12 1HB LEU 12 -3.318 -8.775 4.136 97 HB3 LEU 12 2HB LEU 12 -3.764 -10.273 3.394 98 HG LEU 12 HG LEU 12 -5.538 -9.384 4.701 99 HD11 LEU 12 1HD1 LEU 12 -6.218 -11.272 6.082 100 HD12 LEU 12 2HD1 LEU 12 -5.337 -11.905 4.678 101 HD13 LEU 12 3HD1 LEU 12 -4.553 -11.844 6.275 102 HD21 LEU 12 3HD2 LEU 12 -4.234 -8.031 6.360 103 HD22 LEU 12 1HD2 LEU 12 -5.488 -9.006 7.147 104 HD23 LEU 12 2HD2 LEU 12 -3.788 -9.502 7.245 105 H VAL 13 H VAL 13 -2.742 -12.836 5.532 106 HA VAL 13 HA VAL 13 -1.202 -14.502 3.686 107 HB VAL 13 HB VAL 13 -2.862 -16.319 4.304 108 HG11 VAL 13 1HG1 VAL 13 -0.761 -16.057 5.557 109 HG12 VAL 13 2HG1 VAL 13 -1.513 -14.896 6.673 110 HG13 VAL 13 3HG1 VAL 13 -2.065 -16.584 6.631 111 HG21 VAL 13 3HG2 VAL 13 -4.118 -14.268 6.255 112 HG22 VAL 13 1HG2 VAL 13 -4.921 -14.952 4.827 113 HG23 VAL 13 2HG2 VAL 13 -4.457 -16.000 6.188 114 H LYS 14 H LYS 14 -1.781 -15.621 1.866 115 HA LYS 14 HA LYS 14 -3.506 -14.079 0.013 116 HB2 LYS 14 1HB LYS 14 -1.370 -14.854 -0.643 117 HB3 LYS 14 2HB LYS 14 -1.734 -16.555 -0.416 118 HG2 LYS 14 1HG LYS 14 -3.300 -14.802 -2.428 119 HG3 LYS 14 2HG LYS 14 -1.684 -15.364 -2.817 120 HD2 LYS 14 1HD LYS 14 -2.337 -17.750 -2.675 121 HD3 LYS 14 2HD LYS 14 -3.870 -17.349 -1.944 122 HE2 LYS 14 1HE LYS 14 -4.505 -17.860 -4.107 123 HE3 LYS 14 2HE LYS 14 -4.606 -16.112 -4.041 124 HZ1 LYS 14 3HZ LYS 14 -2.308 -17.684 -5.253 125 HZ2 LYS 14 1HZ LYS 14 -3.427 -16.826 -6.103 126 HZ3 LYS 14 2HZ LYS 14 -2.328 -16.045 -5.160 127 H GLU 15 H GLU 15 -5.325 -14.476 -0.854 128 HA GLU 15 HA GLU 15 -7.319 -16.092 0.288 129 HB2 GLU 15 1HB GLU 15 -7.284 -14.589 -2.416 130 HB3 GLU 15 2HB GLU 15 -8.722 -15.160 -1.592 131 HG2 GLU 15 1HG GLU 15 -8.660 -12.899 -1.040 132 HG3 GLU 15 2HG GLU 15 -8.105 -13.664 0.429 133 H VAL 16 H VAL 16 -7.685 -18.169 0.062 134 HA VAL 16 HA VAL 16 -7.256 -19.673 -2.573 135 HB VAL 16 HB VAL 16 -6.419 -20.755 0.210 136 HG11 VAL 16 1HG1 VAL 16 -7.210 -22.610 -1.239 137 HG12 VAL 16 2HG1 VAL 16 -6.169 -22.076 -2.588 138 HG13 VAL 16 3HG1 VAL 16 -5.463 -22.697 -1.075 139 HG21 VAL 16 3HG2 VAL 16 -4.600 -19.950 -2.175 140 HG22 VAL 16 1HG2 VAL 16 -4.672 -19.145 -0.588 141 HG23 VAL 16 2HG2 VAL 16 -4.068 -20.800 -0.699 142 H THR 17 H THR 17 -8.904 -21.158 -2.981 143 HA THR 17 HA THR 17 -11.427 -20.794 -1.389 144 HB THR 17 HB THR 17 -11.057 -22.420 -3.972 145 HG1 THR 17 HG1 THR 17 -10.838 -19.911 -3.637 146 HG21 THR 17 3HG2 THR 17 -13.189 -23.023 -2.719 147 HG22 THR 17 1HG2 THR 17 -13.612 -21.292 -2.644 148 HG23 THR 17 2HG2 THR 17 -13.508 -22.113 -4.211 149 HA PRO 18 HA PRO 18 -10.845 -25.358 -0.004 150 HB2 PRO 18 1HB PRO 18 -8.562 -26.837 -0.614 151 HB3 PRO 18 2HB PRO 18 -9.990 -26.748 -1.667 152 HG2 PRO 18 1HG PRO 18 -7.419 -25.068 -1.881 153 HG3 PRO 18 2HG PRO 18 -8.197 -26.020 -3.174 154 HD2 PRO 18 1HD PRO 18 -8.642 -23.304 -2.896 155 HD3 PRO 18 2HD PRO 18 -9.953 -24.360 -3.449 156 HA PRO 19 HA PRO 19 -8.771 -23.736 3.498 157 HB2 PRO 19 1HB PRO 19 -8.513 -25.805 5.335 158 HB3 PRO 19 2HB PRO 19 -10.059 -25.155 4.746 159 HG2 PRO 19 1HG PRO 19 -8.550 -27.612 3.650 160 HG3 PRO 19 2HG PRO 19 -10.245 -27.556 4.208 161 HD2 PRO 19 1HD PRO 19 -9.669 -27.299 1.535 162 HD3 PRO 19 2HD PRO 19 -10.936 -26.256 2.258 163 H ARG 20 H ARG 20 -6.902 -23.227 2.243 164 HA ARG 20 HA ARG 20 -4.337 -24.198 3.593 165 HB2 ARG 20 1HB ARG 20 -5.161 -24.840 0.945 166 HB3 ARG 20 2HB ARG 20 -4.131 -23.455 0.651 167 HG2 ARG 20 1HG ARG 20 -2.239 -24.609 1.921 168 HG3 ARG 20 2HG ARG 20 -3.337 -25.953 2.301 169 HD2 ARG 20 1HD ARG 20 -3.669 -26.378 -0.188 170 HD3 ARG 20 2HD ARG 20 -2.499 -25.079 -0.552 171 HE ARG 20 HE ARG 20 -1.237 -26.960 1.309 172 HH11 ARG 20 2HH2 ARG 20 -2.304 -26.906 -2.002 173 HH12 ARG 20 1HH2 ARG 20 -1.089 -28.185 -2.487 174 HH21 ARG 20 2HH1 ARG 20 0.128 -28.405 0.723 175 HH22 ARG 20 1HH1 ARG 20 0.210 -28.975 -1.001 176 H LYS 21 H LYS 21 -2.874 -22.693 4.132 177 HA LYS 21 HA LYS 21 -3.435 -19.748 3.411 178 HB2 LYS 21 1HB LYS 21 -2.642 -21.000 6.102 179 HB3 LYS 21 2HB LYS 21 -2.528 -19.286 5.788 180 HG2 LYS 21 1HG LYS 21 -5.161 -20.899 5.545 181 HG3 LYS 21 2HG LYS 21 -4.621 -20.099 6.993 182 HD2 LYS 21 1HD LYS 21 -5.450 -18.146 6.401 183 HD3 LYS 21 2HD LYS 21 -4.463 -18.022 4.977 184 HE2 LYS 21 1HE LYS 21 -7.136 -19.600 5.010 185 HE3 LYS 21 2HE LYS 21 -7.088 -17.855 4.822 186 HZ1 LYS 21 3HZ LYS 21 -7.100 -19.043 2.614 187 HZ2 LYS 21 1HZ LYS 21 -5.756 -18.106 2.734 188 HZ3 LYS 21 2HZ LYS 21 -5.659 -19.744 2.912 189 H ALA 22 H ALA 22 -1.963 -19.366 1.924 190 HA ALA 22 HA ALA 22 0.891 -20.213 2.180 191 HB1 ALA 22 3HB ALA 22 -0.492 -18.370 0.124 192 HB2 ALA 22 1HB ALA 22 1.154 -19.020 -0.009 193 HB3 ALA 22 2HB ALA 22 -0.231 -20.127 -0.034 194 HA PRO 23 HA PRO 23 1.915 -16.347 4.479 195 HB2 PRO 23 1HB PRO 23 4.614 -16.684 4.887 196 HB3 PRO 23 2HB PRO 23 3.387 -17.754 5.600 197 HG2 PRO 23 1HG PRO 23 4.967 -18.247 2.991 198 HG3 PRO 23 2HG PRO 23 4.864 -19.337 4.401 199 HD2 PRO 23 1HD PRO 23 3.179 -19.645 2.230 200 HD3 PRO 23 2HD PRO 23 2.568 -19.934 3.895 201 H SER 24 H SER 24 1.224 -15.460 2.347 202 HA SER 24 HA SER 24 3.083 -14.424 0.416 203 HB2 SER 24 1HB SER 24 0.678 -14.928 0.067 204 HB3 SER 24 2HB SER 24 0.197 -13.530 1.051 205 HG SER 24 HG SER 24 1.310 -13.624 -1.522 206 H LYS 25 H LYS 25 3.997 -12.536 0.059 207 HA LYS 25 HA LYS 25 4.235 -10.494 2.303 208 HB2 LYS 25 1HB LYS 25 5.814 -10.861 -0.318 209 HB3 LYS 25 2HB LYS 25 5.889 -9.390 0.616 210 HG2 LYS 25 1HG LYS 25 7.737 -10.564 1.354 211 HG3 LYS 25 2HG LYS 25 6.595 -10.616 2.674 212 HD2 LYS 25 1HD LYS 25 6.149 -13.047 1.095 213 HD3 LYS 25 2HD LYS 25 7.860 -12.823 1.096 214 HE2 LYS 25 1HE LYS 25 6.083 -12.883 3.652 215 HE3 LYS 25 2HE LYS 25 6.822 -14.304 2.935 216 HZ1 LYS 25 3HZ LYS 25 8.416 -11.933 3.939 217 HZ2 LYS 25 1HZ LYS 25 8.298 -13.375 4.722 218 HZ3 LYS 25 2HZ LYS 25 9.069 -13.277 3.275 219 H ALA 26 H ALA 26 2.155 -9.774 2.244 220 HA ALA 26 HA ALA 26 1.215 -8.123 -0.101 221 HB1 ALA 26 3HB ALA 26 -0.898 -7.896 1.261 222 HB2 ALA 26 1HB ALA 26 -0.458 -9.594 0.956 223 HB3 ALA 26 2HB ALA 26 -0.151 -8.886 2.520 224 H LYS 27 H LYS 27 1.434 -6.083 -0.211 225 HA LYS 27 HA LYS 27 1.906 -4.359 2.294 226 HB2 LYS 27 1HB LYS 27 3.629 -4.571 -0.252 227 HB3 LYS 27 2HB LYS 27 3.422 -3.017 0.482 228 HG2 LYS 27 1HG LYS 27 5.271 -3.595 1.560 229 HG3 LYS 27 2HG LYS 27 4.089 -4.015 2.758 230 HD2 LYS 27 1HD LYS 27 4.431 -6.438 1.199 231 HD3 LYS 27 2HD LYS 27 6.025 -5.740 1.207 232 HE2 LYS 27 1HE LYS 27 4.278 -6.365 3.704 233 HE3 LYS 27 2HE LYS 27 5.526 -7.428 3.073 234 HZ1 LYS 27 3HZ LYS 27 6.417 -5.951 4.926 235 HZ2 LYS 27 1HZ LYS 27 7.216 -5.611 3.522 236 HZ3 LYS 27 2HZ LYS 27 6.044 -4.610 4.051 237 H ARG 28 H ARG 28 0.582 -2.745 2.443 238 HA ARG 28 HA ARG 28 -1.067 -1.848 0.024 239 HB2 ARG 28 1HB ARG 28 -2.290 -1.477 2.769 240 HB3 ARG 28 2HB ARG 28 -3.010 -1.483 1.189 241 HG2 ARG 28 1HG ARG 28 -2.533 -4.056 1.110 242 HG3 ARG 28 2HG ARG 28 -2.021 -3.935 2.785 243 HD2 ARG 28 1HD ARG 28 -4.306 -3.109 3.480 244 HD3 ARG 28 2HD ARG 28 -4.831 -3.116 1.779 245 HE ARG 28 HE ARG 28 -3.662 -5.744 2.649 246 HH11 ARG 28 2HH2 ARG 28 -6.645 -3.965 2.545 247 HH12 ARG 28 1HH2 ARG 28 -7.629 -5.510 2.494 248 HH21 ARG 28 2HH1 ARG 28 -4.811 -7.455 2.590 249 HH22 ARG 28 1HH1 ARG 28 -6.624 -7.368 2.529 250 H GLU 29 H GLU 29 -0.264 0.100 -0.414 251 HA GLU 29 HA GLU 29 0.356 2.074 1.762 252 HB2 GLU 29 1HB GLU 29 2.627 1.700 -0.271 253 HB3 GLU 29 2HB GLU 29 2.443 2.886 0.993 254 HG2 GLU 29 1HG GLU 29 3.953 1.514 1.978 255 HG3 GLU 29 2HG GLU 29 2.493 0.967 2.740 256 H ALA 30 H ALA 30 -0.053 4.076 1.171 257 HA ALA 30 HA ALA 30 -1.088 4.675 -1.627 258 HB1 ALA 30 3HB ALA 30 -1.359 5.989 1.145 259 HB2 ALA 30 1HB ALA 30 -2.107 6.656 -0.299 260 HB3 ALA 30 2HB ALA 30 -2.577 5.051 0.257 261 HA PRO 31 HA PRO 31 2.853 7.176 -1.872 262 HB2 PRO 31 1HB PRO 31 3.524 6.881 -4.469 263 HB3 PRO 31 2HB PRO 31 3.611 5.564 -3.293 264 HG2 PRO 31 1HG PRO 31 1.285 6.097 -5.261 265 HG3 PRO 31 2HG PRO 31 2.199 4.577 -5.079 266 HD2 PRO 31 1HD PRO 31 -0.193 5.011 -3.760 267 HD3 PRO 31 2HD PRO 31 1.127 4.079 -2.984 268 H ILE 32 H ILE 32 1.661 8.071 -5.008 269 HA ILE 32 HA ILE 32 1.051 10.869 -3.920 270 HB ILE 32 HB ILE 32 2.112 11.821 -6.031 271 HG12 ILE 32 1HG1 ILE 32 3.424 9.059 -6.262 272 HG13 ILE 32 2HG1 ILE 32 2.381 9.842 -7.429 273 HG21 ILE 32 1HG2 ILE 32 3.008 11.933 -3.674 274 HG22 ILE 32 2HG2 ILE 32 4.081 10.551 -4.035 275 HG23 ILE 32 3HG2 ILE 32 4.220 12.086 -4.926 276 HD11 ILE 32 3HD1 ILE 32 4.297 11.749 -7.492 277 HD12 ILE 32 1HD1 ILE 32 5.267 10.497 -6.700 278 HD13 ILE 32 2HD1 ILE 32 4.618 10.178 -8.272 279 H LYS 33 H LYS 33 -0.727 11.749 -4.569 280 HA LYS 33 HA LYS 33 -2.525 10.606 -6.599 281 HB2 LYS 33 1HB LYS 33 -3.032 12.033 -4.393 282 HB3 LYS 33 2HB LYS 33 -2.724 13.437 -5.376 283 HG2 LYS 33 1HG LYS 33 -5.089 13.045 -5.285 284 HG3 LYS 33 2HG LYS 33 -4.600 12.772 -6.933 285 HD2 LYS 33 1HD LYS 33 -6.270 11.088 -6.114 286 HD3 LYS 33 2HD LYS 33 -4.830 10.421 -6.815 287 HE2 LYS 33 1HE LYS 33 -5.581 9.108 -4.944 288 HE3 LYS 33 2HE LYS 33 -3.916 9.658 -4.766 289 HZ1 LYS 33 3HZ LYS 33 -5.039 9.892 -2.614 290 HZ2 LYS 33 1HZ LYS 33 -4.803 11.436 -3.111 291 HZ3 LYS 33 2HZ LYS 33 -6.289 10.791 -3.261 292 H TYR 34 H TYR 34 -0.105 13.011 -6.858 293 HA TYR 34 HA TYR 34 -1.070 14.315 -9.376 294 HB2 TYR 34 1HB TYR 34 0.578 15.311 -7.690 295 HB3 TYR 34 2HB TYR 34 1.785 14.162 -8.222 296 HD1 TYR 34 HD1 TYR 34 -0.523 16.871 -9.576 297 HD2 TYR 34 HD2 TYR 34 3.266 14.857 -9.985 298 HE1 TYR 34 HE1 TYR 34 0.192 18.532 -11.246 299 HE2 TYR 34 HE2 TYR 34 3.977 16.533 -11.623 300 HH TYR 34 HH TYR 34 3.152 18.204 -13.044 301 H TRP 35 H TRP 35 0.938 11.495 -8.786 302 HA TRP 35 HA TRP 35 1.263 10.990 -11.787 303 HB2 TRP 35 1HB TRP 35 3.145 10.726 -9.840 304 HB3 TRP 35 2HB TRP 35 2.460 9.124 -9.673 305 HD1 TRP 35 HD1 TRP 35 5.054 11.081 -11.470 306 HE1 TRP 35 HE1 TRP 35 6.307 9.717 -13.332 307 HE3 TRP 35 HE3 TRP 35 1.631 7.257 -11.873 308 HZ2 TRP 35 HZ2 TRP 35 5.795 7.266 -14.657 309 HZ3 TRP 35 HZ3 TRP 35 2.124 5.396 -13.432 310 HH2 TRP 35 HH2 TRP 35 4.162 5.398 -14.797 311 H LEU 36 H LEU 36 -0.118 9.337 -8.829 312 HA LEU 36 HA LEU 36 -1.531 7.377 -10.707 313 HB2 LEU 36 1HB LEU 36 -0.551 7.053 -7.805 314 HB3 LEU 36 2HB LEU 36 -1.545 5.861 -8.622 315 HG LEU 36 HG LEU 36 1.236 6.730 -9.661 316 HD11 LEU 36 1HD1 LEU 36 1.479 5.701 -7.443 317 HD12 LEU 36 2HD1 LEU 36 0.475 4.304 -7.910 318 HD13 LEU 36 3HD1 LEU 36 2.057 4.581 -8.680 319 HD21 LEU 36 3HD2 LEU 36 1.118 4.607 -10.988 320 HD22 LEU 36 1HD2 LEU 36 -0.533 4.285 -10.390 321 HD23 LEU 36 2HD2 LEU 36 -0.209 5.682 -11.447 322 HA PRO 37 HA PRO 37 -5.094 9.724 -9.027 323 HB2 PRO 37 1HB PRO 37 -7.224 8.462 -10.309 324 HB3 PRO 37 2HB PRO 37 -6.062 9.556 -11.087 325 HG2 PRO 37 1HG PRO 37 -5.923 6.479 -11.041 326 HG3 PRO 37 2HG PRO 37 -5.852 7.550 -12.465 327 HD2 PRO 37 1HD PRO 37 -3.539 6.615 -11.300 328 HD3 PRO 37 2HD PRO 37 -3.606 8.298 -11.915 329 H HIS 38 H HIS 38 -4.803 6.372 -8.438 330 HA HIS 38 HA HIS 38 -6.550 6.567 -5.911 331 HB2 HIS 38 1HB HIS 38 -7.347 4.911 -7.639 332 HB3 HIS 38 2HB HIS 38 -5.804 4.066 -7.570 333 HD1 HIS 38 HD1 HIS 38 -5.424 2.328 -5.612 334 HD2 HIS 38 HD2 HIS 38 -8.958 4.746 -5.197 335 HE1 HIS 38 HE1 HIS 38 -6.925 1.373 -3.747 336 HE2 HIS 38 HE2 HIS 38 -9.084 2.741 -3.428 337 H SER 39 H SER 39 -5.096 7.140 -4.372 338 HA SER 39 HA SER 39 -2.342 5.896 -4.158 339 HB2 SER 39 1HB SER 39 -1.961 7.365 -2.311 340 HB3 SER 39 2HB SER 39 -2.576 8.297 -3.658 341 HG SER 39 HG SER 39 -4.275 7.282 -1.629 342 H GLY 40 H GLY 40 -2.644 3.775 -3.585 343 HA2 GLY 40 1HA GLY 40 -2.806 2.757 -1.046 344 HA3 GLY 40 2HA GLY 40 -4.536 2.943 -1.353 345 H ALA 41 H ALA 41 -1.597 1.390 -2.575 346 HA ALA 41 HA ALA 41 -3.287 -0.525 -4.273 347 HB1 ALA 41 3HB ALA 41 -1.208 -0.857 -5.571 348 HB2 ALA 41 1HB ALA 41 -1.583 0.874 -5.417 349 HB3 ALA 41 2HB ALA 41 -0.284 0.148 -4.437 350 H THR 42 H THR 42 -3.758 -2.364 -3.270 351 HA THR 42 HA THR 42 -1.884 -3.706 -1.315 352 HB THR 42 HB THR 42 -4.111 -3.507 -0.618 353 HG1 THR 42 HG1 THR 42 -3.823 -6.211 -1.290 354 HG21 THR 42 3HG2 THR 42 -6.010 -4.831 -1.438 355 HG22 THR 42 1HG2 THR 42 -5.541 -3.653 -2.682 356 HG23 THR 42 2HG2 THR 42 -5.120 -5.362 -2.879 357 H TRP 43 H TRP 43 -0.215 -4.558 -2.390 358 HA TRP 43 HA TRP 43 -0.754 -6.527 -4.698 359 HB2 TRP 43 1HB TRP 43 0.808 -4.542 -5.012 360 HB3 TRP 43 2HB TRP 43 1.913 -5.271 -3.832 361 HD1 TRP 43 HD1 TRP 43 1.497 -8.470 -5.272 362 HE1 TRP 43 HE1 TRP 43 2.942 -9.000 -7.377 363 HE3 TRP 43 HE3 TRP 43 2.535 -3.583 -6.623 364 HZ2 TRP 43 HZ2 TRP 43 4.262 -7.441 -9.318 365 HZ3 TRP 43 HZ3 TRP 43 3.988 -3.216 -8.598 366 HH2 TRP 43 HH2 TRP 43 4.852 -5.106 -9.902 367 H SER 44 H SER 44 -1.246 -8.457 -3.708 368 HA SER 44 HA SER 44 0.465 -9.553 -1.466 369 HB2 SER 44 1HB SER 44 -1.158 -11.340 -1.278 370 HB3 SER 44 2HB SER 44 -1.897 -9.741 -1.159 371 HG SER 44 HG SER 44 -3.131 -11.113 -2.473 372 H GLY 45 H GLY 45 2.385 -10.183 -2.199 373 HA2 GLY 45 1HA GLY 45 3.045 -12.715 -3.059 374 HA3 GLY 45 2HA GLY 45 2.621 -12.057 -4.629 375 H ARG 46 H ARG 46 3.778 -10.050 -5.221 376 HA ARG 46 HA ARG 46 6.743 -10.340 -4.734 377 HB2 ARG 46 1HB ARG 46 5.909 -9.985 -7.013 378 HB3 ARG 46 2HB ARG 46 5.185 -8.451 -6.593 379 HG2 ARG 46 1HG ARG 46 8.211 -8.852 -6.178 380 HG3 ARG 46 2HG ARG 46 7.554 -8.685 -7.797 381 HD2 ARG 46 1HD ARG 46 6.450 -6.476 -7.123 382 HD3 ARG 46 2HD ARG 46 7.219 -6.558 -5.560 383 HE ARG 46 HE ARG 46 8.624 -6.275 -8.282 384 HH11 ARG 46 2HH2 ARG 46 8.994 -6.176 -4.799 385 HH12 ARG 46 1HH2 ARG 46 10.665 -5.477 -4.958 386 HH21 ARG 46 2HH1 ARG 46 10.513 -5.476 -8.389 387 HH22 ARG 46 1HH1 ARG 46 11.465 -5.109 -6.887 388 H GLY 47 H GLY 47 7.852 -9.091 -3.444 389 HA2 GLY 47 1HA GLY 47 6.463 -7.505 -1.326 390 HA3 GLY 47 2HA GLY 47 8.182 -7.810 -1.399 391 H LYS 48 H LYS 48 5.687 -5.845 -2.870 392 HA LYS 48 HA LYS 48 7.602 -3.704 -3.665 393 HB2 LYS 48 1HB LYS 48 5.886 -2.596 -4.732 394 HB3 LYS 48 2HB LYS 48 5.590 -4.290 -4.968 395 HG2 LYS 48 1HG LYS 48 3.435 -3.722 -4.512 396 HG3 LYS 48 2HG LYS 48 3.911 -3.999 -2.850 397 HD2 LYS 48 1HD LYS 48 4.569 -1.357 -2.931 398 HD3 LYS 48 2HD LYS 48 3.556 -1.339 -4.377 399 HE2 LYS 48 1HE LYS 48 1.598 -2.255 -3.002 400 HE3 LYS 48 2HE LYS 48 2.667 -2.395 -1.601 401 HZ1 LYS 48 3HZ LYS 48 1.366 -0.281 -1.568 402 HZ2 LYS 48 1HZ LYS 48 2.962 -0.072 -1.462 403 HZ3 LYS 48 2HZ LYS 48 2.199 0.287 -2.887 404 H ILE 49 H ILE 49 8.521 -2.324 -2.233 405 HA ILE 49 HA ILE 49 6.705 -0.957 -0.168 406 HB ILE 49 HB ILE 49 9.742 -1.363 0.218 407 HG12 ILE 49 1HG1 ILE 49 8.784 -2.669 2.377 408 HG13 ILE 49 2HG1 ILE 49 7.350 -2.919 1.397 409 HG21 ILE 49 1HG2 ILE 49 8.747 0.738 1.259 410 HG22 ILE 49 2HG2 ILE 49 7.566 -0.252 2.134 411 HG23 ILE 49 3HG2 ILE 49 9.311 -0.404 2.475 412 HD11 ILE 49 3HD1 ILE 49 8.786 -4.185 -0.306 413 HD12 ILE 49 1HD1 ILE 49 10.233 -3.803 0.654 414 HD13 ILE 49 2HD1 ILE 49 8.965 -4.853 1.322 415 HA PRO 50 HA PRO 50 8.325 2.259 -3.135 416 HB2 PRO 50 1HB PRO 50 6.270 4.090 -3.035 417 HB3 PRO 50 2HB PRO 50 5.997 2.444 -3.649 418 HG2 PRO 50 1HG PRO 50 5.498 3.438 -0.761 419 HG3 PRO 50 2HG PRO 50 4.296 2.685 -1.839 420 HD2 PRO 50 1HD PRO 50 5.767 1.195 0.004 421 HD3 PRO 50 2HD PRO 50 5.313 0.495 -1.577 422 H LYS 51 H LYS 51 9.532 2.109 -0.719 423 HA LYS 51 HA LYS 51 9.779 4.839 0.479 424 HB2 LYS 51 1HB LYS 51 10.727 2.155 1.268 425 HB3 LYS 51 2HB LYS 51 12.060 3.260 1.322 426 HG2 LYS 51 1HG LYS 51 10.994 3.169 3.466 427 HG3 LYS 51 2HG LYS 51 10.902 4.794 2.848 428 HD2 LYS 51 1HD LYS 51 8.442 3.151 2.169 429 HD3 LYS 51 2HD LYS 51 8.796 3.143 3.888 430 HE2 LYS 51 1HE LYS 51 8.839 5.693 3.911 431 HE3 LYS 51 2HE LYS 51 8.474 5.722 2.188 432 HZ1 LYS 51 3HZ LYS 51 6.362 5.923 3.338 433 HZ2 LYS 51 1HZ LYS 51 6.330 4.408 2.768 434 HZ3 LYS 51 2HZ LYS 51 6.593 4.628 4.329 435 HA PRO 52 HA PRO 52 13.751 5.602 -2.129 436 HB2 PRO 52 1HB PRO 52 14.272 4.078 -4.400 437 HB3 PRO 52 2HB PRO 52 14.914 3.721 -2.784 438 HG2 PRO 52 1HG PRO 52 12.414 2.499 -4.097 439 HG3 PRO 52 2HG PRO 52 13.767 1.626 -3.336 440 HD2 PRO 52 1HD PRO 52 11.424 2.145 -1.990 441 HD3 PRO 52 2HD PRO 52 12.977 2.178 -1.106 442 H PHE 53 H PHE 53 10.694 4.655 -3.453 443 HA PHE 53 HA PHE 53 10.688 6.713 -5.667 444 HB2 PHE 53 1HB PHE 53 9.455 4.616 -5.991 445 HB3 PHE 53 2HB PHE 53 8.480 4.887 -4.559 446 HD1 PHE 53 HD2 PHE 53 9.322 6.482 -7.901 447 HD2 PHE 53 HD1 PHE 53 6.436 6.172 -4.731 448 HE1 PHE 53 HE2 PHE 53 7.640 7.608 -9.318 449 HE2 PHE 53 HE1 PHE 53 4.786 7.346 -6.126 450 HZ PHE 53 HZ PHE 53 5.360 8.009 -8.452 451 H GLU 54 H GLU 54 8.800 6.349 -2.576 452 HA GLU 54 HA GLU 54 7.816 9.113 -2.650 453 HB2 GLU 54 1HB GLU 54 6.749 7.174 -1.456 454 HB3 GLU 54 2HB GLU 54 8.048 7.172 -0.265 455 HG2 GLU 54 1HG GLU 54 7.372 9.451 0.528 456 HG3 GLU 54 2HG GLU 54 6.198 9.601 -0.779 457 H ALA 55 H ALA 55 10.807 7.852 -1.452 458 HA ALA 55 HA ALA 55 11.696 10.281 0.068 459 HB1 ALA 55 3HB ALA 55 13.946 9.164 -0.067 460 HB2 ALA 55 1HB ALA 55 12.725 8.119 0.653 461 HB3 ALA 55 2HB ALA 55 13.256 7.848 -1.026 462 H TRP 56 H TRP 56 12.442 8.974 -3.253 463 HA TRP 56 HA TRP 56 13.890 11.512 -3.905 464 HB2 TRP 56 1HB TRP 56 14.358 9.057 -4.889 465 HB3 TRP 56 2HB TRP 56 13.134 9.482 -6.079 466 HD1 TRP 56 HD1 TRP 56 13.933 11.443 -7.953 467 HE1 TRP 56 HE1 TRP 56 16.124 12.815 -8.437 468 HE3 TRP 56 HE3 TRP 56 16.459 10.089 -3.691 469 HZ2 TRP 56 HZ2 TRP 56 18.562 13.207 -7.009 470 HZ3 TRP 56 HZ3 TRP 56 18.715 11.061 -3.287 471 HH2 TRP 56 HH2 TRP 56 19.739 12.587 -4.909 472 H ILE 57 H ILE 57 10.622 10.287 -4.550 473 HA ILE 57 HA ILE 57 9.721 12.861 -5.825 474 HB ILE 57 HB ILE 57 8.306 10.479 -4.505 475 HG12 ILE 57 1HG1 ILE 57 9.282 9.903 -6.650 476 HG13 ILE 57 2HG1 ILE 57 7.547 9.829 -6.662 477 HG21 ILE 57 1HG2 ILE 57 6.622 12.543 -5.960 478 HG22 ILE 57 2HG2 ILE 57 6.210 11.101 -4.984 479 HG23 ILE 57 3HG2 ILE 57 6.817 12.538 -4.212 480 HD11 ILE 57 3HD1 ILE 57 7.455 12.025 -7.973 481 HD12 ILE 57 1HD1 ILE 57 9.232 12.103 -7.932 482 HD13 ILE 57 2HD1 ILE 57 8.415 10.778 -8.785 483 H GLY 58 H GLY 58 10.983 12.494 -2.820 484 HA2 GLY 58 1HA GLY 58 9.562 15.034 -1.864 485 HA3 GLY 58 2HA GLY 58 10.261 13.906 -0.721 486 H THR 59 H THR 59 12.771 13.449 -2.145 487 HA THR 59 HA THR 59 14.505 15.090 -0.865 488 HB THR 59 HB THR 59 15.018 14.181 -3.773 489 HG1 THR 59 HG1 THR 59 15.966 12.407 -2.653 490 HG21 THR 59 3HG2 THR 59 17.041 14.642 -1.467 491 HG22 THR 59 1HG2 THR 59 17.415 13.936 -3.055 492 HG23 THR 59 2HG2 THR 59 16.929 15.627 -2.939 493 H ALA 60 H ALA 60 13.335 16.027 -3.972 494 HA ALA 60 HA ALA 60 13.795 18.960 -3.313 495 HB1 ALA 60 3HB ALA 60 14.388 17.840 -6.147 496 HB2 ALA 60 1HB ALA 60 14.452 19.550 -5.661 497 HB3 ALA 60 2HB ALA 60 15.606 18.396 -4.973 498 H ALA 61 H ALA 61 11.796 16.605 -4.993 499 HA ALA 61 HA ALA 61 9.869 18.483 -6.134 500 HB1 ALA 61 3HB ALA 61 8.450 16.376 -6.371 501 HB2 ALA 61 1HB ALA 61 10.105 16.206 -7.000 502 HB3 ALA 61 2HB ALA 61 9.672 15.502 -5.429 503 H TYR 62 H TYR 62 10.057 17.317 -2.910 504 HA TYR 62 HA TYR 62 7.350 17.591 -1.960 505 HB2 TYR 62 1HB TYR 62 9.363 16.795 -0.589 506 HB3 TYR 62 2HB TYR 62 9.864 18.448 -0.411 507 HD1 TYR 62 HD1 TYR 62 6.580 16.473 0.021 508 HD2 TYR 62 HD2 TYR 62 9.358 19.282 1.743 509 HE1 TYR 62 HE1 TYR 62 5.219 16.580 2.068 510 HE2 TYR 62 HE2 TYR 62 8.006 19.339 3.798 511 HH TYR 62 HH TYR 62 4.995 17.474 4.125 512 H THR 63 H THR 63 9.634 20.319 -2.406 513 HA THR 63 HA THR 63 7.733 22.336 -1.368 514 HB THR 63 HB THR 63 10.121 22.708 -1.350 515 HG1 THR 63 HG1 THR 63 8.832 24.667 -2.919 516 HG21 THR 63 3HG2 THR 63 9.976 23.226 -4.400 517 HG22 THR 63 1HG2 THR 63 11.320 23.664 -3.321 518 HG23 THR 63 2HG2 THR 63 10.921 21.961 -3.597 519 H ALA 64 H ALA 64 8.047 20.911 -4.525 520 HA ALA 64 HA ALA 64 6.070 22.823 -5.838 521 HB1 ALA 64 3HB ALA 64 7.445 20.281 -6.948 522 HB2 ALA 64 1HB ALA 64 6.424 21.398 -7.868 523 HB3 ALA 64 2HB ALA 64 7.972 21.954 -7.222 524 H TRP 65 H TRP 65 6.259 19.468 -4.684 525 HA TRP 65 HA TRP 65 3.505 18.673 -5.228 526 HB2 TRP 65 1HB TRP 65 5.806 17.380 -4.307 527 HB3 TRP 65 2HB TRP 65 4.925 17.509 -2.803 528 HD1 TRP 65 HD1 TRP 65 4.919 15.727 -6.233 529 HE1 TRP 65 HE1 TRP 65 3.016 13.950 -6.481 530 HE3 TRP 65 HE3 TRP 65 2.399 16.931 -1.912 531 HZ2 TRP 65 HZ2 TRP 65 0.695 13.338 -4.947 532 HZ3 TRP 65 HZ3 TRP 65 0.319 15.691 -1.376 533 HH2 TRP 65 HH2 TRP 65 -0.504 13.898 -2.874 534 H LYS 66 H LYS 66 4.868 20.177 -2.320 535 HA LYS 66 HA LYS 66 2.394 20.310 -0.738 536 HB2 LYS 66 1HB LYS 66 5.046 21.894 -0.758 537 HB3 LYS 66 2HB LYS 66 3.779 22.352 0.342 538 HG2 LYS 66 1HG LYS 66 4.901 19.477 0.214 539 HG3 LYS 66 2HG LYS 66 5.627 20.696 1.206 540 HD2 LYS 66 1HD LYS 66 2.687 19.776 1.409 541 HD3 LYS 66 2HD LYS 66 4.004 19.101 2.338 542 HE2 LYS 66 1HE LYS 66 4.443 21.218 3.535 543 HE3 LYS 66 2HE LYS 66 3.297 22.113 2.522 544 HZ1 LYS 66 3HZ LYS 66 2.132 21.338 4.592 545 HZ2 LYS 66 1HZ LYS 66 1.512 20.537 3.271 546 HZ3 LYS 66 2HZ LYS 66 2.555 19.773 4.270 547 H ALA 67 H ALA 67 3.594 22.571 -3.199 548 HA ALA 67 HA ALA 67 1.315 24.482 -2.904 549 HB1 ALA 67 3HB ALA 67 3.199 23.942 -5.297 550 HB2 ALA 67 1HB ALA 67 2.074 25.311 -5.145 551 HB3 ALA 67 2HB ALA 67 3.431 25.158 -4.017 552 H LYS 68 H LYS 68 1.794 21.520 -4.924 553 HA LYS 68 HA LYS 68 -0.843 21.817 -6.258 554 HB2 LYS 68 1HB LYS 68 1.080 19.427 -6.007 555 HB3 LYS 68 2HB LYS 68 -0.313 19.435 -7.073 556 HG2 LYS 68 1HG LYS 68 0.571 21.040 -8.578 557 HG3 LYS 68 2HG LYS 68 1.675 21.750 -7.404 558 HD2 LYS 68 1HD LYS 68 2.994 19.614 -7.290 559 HD3 LYS 68 2HD LYS 68 2.025 18.918 -8.576 560 HE2 LYS 68 1HE LYS 68 3.795 21.469 -8.733 561 HE3 LYS 68 2HE LYS 68 4.291 19.864 -9.264 562 HZ1 LYS 68 3HZ LYS 68 2.615 19.910 -11.062 563 HZ2 LYS 68 1HZ LYS 68 1.924 21.289 -10.492 564 HZ3 LYS 68 2HZ LYS 68 3.431 21.333 -11.145 565 H HIS 69 H HIS 69 0.177 19.715 -3.513 566 HA HIS 69 HA HIS 69 -2.755 19.422 -2.813 567 HB2 HIS 69 1HB HIS 69 -0.990 17.129 -3.670 568 HB3 HIS 69 2HB HIS 69 -1.593 16.883 -2.058 569 HD1 HIS 69 HD1 HIS 69 -3.495 15.146 -2.319 570 HD2 HIS 69 HD2 HIS 69 -3.560 18.234 -5.317 571 HE1 HIS 69 HE1 HIS 69 -5.682 15.057 -3.607 572 HE2 HIS 69 HE2 HIS 69 -5.797 16.738 -5.523 573 HA PRO 70 HA PRO 70 -1.625 21.159 0.746 574 HB2 PRO 70 1HB PRO 70 -3.328 20.242 2.816 575 HB3 PRO 70 2HB PRO 70 -3.792 21.240 1.427 576 HG2 PRO 70 1HG PRO 70 -3.954 18.160 1.620 577 HG3 PRO 70 2HG PRO 70 -5.255 19.290 1.155 578 HD2 PRO 70 1HD PRO 70 -3.817 18.045 -0.789 579 HD3 PRO 70 2HD PRO 70 -4.169 19.793 -0.981 580 H ASP 71 H ASP 71 -1.969 18.169 2.721 581 HA ASP 71 HA ASP 71 1.016 17.809 2.361 582 HB2 ASP 71 1HB ASP 71 0.303 18.959 4.700 583 HB3 ASP 71 2HB ASP 71 -0.216 17.356 5.149 584 H GLU 72 H GLU 72 -0.902 16.540 0.969 585 HA GLU 72 HA GLU 72 -1.828 14.048 2.100 586 HB2 GLU 72 1HB GLU 72 -2.537 15.296 -0.171 587 HB3 GLU 72 2HB GLU 72 -1.319 14.312 -0.905 588 HG2 GLU 72 1HG GLU 72 -2.716 12.329 0.520 589 HG3 GLU 72 2HG GLU 72 -3.988 13.486 0.267 590 H LYS 73 H LYS 73 1.288 14.525 0.461 591 HA LYS 73 HA LYS 73 1.891 11.533 0.361 592 HB2 LYS 73 1HB LYS 73 2.501 13.071 -1.589 593 HB3 LYS 73 2HB LYS 73 3.594 13.940 -0.531 594 HG2 LYS 73 1HG LYS 73 4.588 11.333 -0.188 595 HG3 LYS 73 2HG LYS 73 3.731 11.103 -1.674 596 HD2 LYS 73 1HD LYS 73 5.920 11.622 -2.358 597 HD3 LYS 73 2HD LYS 73 5.032 13.099 -2.668 598 HE2 LYS 73 1HE LYS 73 7.043 13.869 -1.768 599 HE3 LYS 73 2HE LYS 73 5.928 14.039 -0.414 600 HZ1 LYS 73 3HZ LYS 73 8.105 12.983 0.228 601 HZ2 LYS 73 1HZ LYS 73 6.863 11.999 0.607 602 HZ3 LYS 73 2HZ LYS 73 7.845 11.678 -0.709 603 H PHE 74 H PHE 74 3.515 10.607 1.666 604 HA PHE 74 HA PHE 74 3.789 11.798 4.339 605 HB2 PHE 74 1HB PHE 74 3.663 9.263 3.661 606 HB3 PHE 74 2HB PHE 74 5.343 9.378 3.227 607 HD1 PHE 74 HD1 PHE 74 2.916 9.436 6.016 608 HD2 PHE 74 HD2 PHE 74 7.100 9.650 5.024 609 HE1 PHE 74 HE1 PHE 74 3.506 9.147 8.401 610 HE2 PHE 74 HE2 PHE 74 7.677 9.362 7.404 611 HZ PHE 74 HZ PHE 74 5.883 9.120 9.096 612 HA PRO 75 HA PRO 75 7.645 14.103 3.329 613 HB2 PRO 75 1HB PRO 75 8.350 15.058 5.818 614 HB3 PRO 75 2HB PRO 75 6.893 15.572 4.944 615 HG2 PRO 75 1HG PRO 75 7.069 13.386 7.117 616 HG3 PRO 75 2HG PRO 75 5.974 14.797 7.097 617 HD2 PRO 75 1HD PRO 75 5.120 12.324 6.151 618 HD3 PRO 75 2HD PRO 75 4.609 13.830 5.331 619 H ALA 76 H ALA 76 8.331 11.880 2.798 620 HA ALA 76 HA ALA 76 10.474 10.662 4.411 621 HB1 ALA 76 3HB ALA 76 9.592 10.110 1.500 622 HB2 ALA 76 1HB ALA 76 10.557 9.027 2.516 623 HB3 ALA 76 2HB ALA 76 8.873 9.377 2.956 624 H PHE 77 H PHE 77 12.551 10.893 4.327 625 HA PHE 77 HA PHE 77 13.955 12.571 2.207 626 HB2 PHE 77 1HB PHE 77 15.692 12.957 3.778 627 HB3 PHE 77 2HB PHE 77 14.216 13.180 4.651 628 HD1 PHE 77 HD2 PHE 77 13.481 11.338 6.366 629 HD2 PHE 77 HD1 PHE 77 17.308 11.206 4.383 630 HE1 PHE 77 HE2 PHE 77 14.291 9.690 8.009 631 HE2 PHE 77 HE1 PHE 77 18.100 9.569 6.029 632 HZ PHE 77 HZ PHE 77 16.596 8.796 7.846 633 HA PRO 78 HA PRO 78 15.929 8.723 0.649 634 HB2 PRO 78 1HB PRO 78 18.241 9.621 -0.554 635 HB3 PRO 78 2HB PRO 78 16.609 10.029 -1.136 636 HG2 PRO 78 1HG PRO 78 18.409 11.739 0.691 637 HG3 PRO 78 2HG PRO 78 17.624 12.255 -0.821 638 HD2 PRO 78 1HD PRO 78 16.493 12.739 1.666 639 HD3 PRO 78 2HD PRO 78 15.451 12.390 0.253 640 H GLY 79 H GLY 79 16.300 7.486 2.352 641 HA2 GLY 79 1HA GLY 79 19.073 7.493 3.696 642 HA3 GLY 79 2HA GLY 79 17.584 7.458 4.652 Start of MODEL 5 1 H1 PHE 1 1H PHE 1 -13.771 11.137 -1.403 2 H2 PHE 1 2H PHE 1 -12.915 11.561 -0.071 3 HA PHE 1 HA PHE 1 -13.436 13.322 -2.397 4 HB2 PHE 1 1HB PHE 1 -11.757 13.712 0.180 5 HB3 PHE 1 2HB PHE 1 -11.440 14.662 -1.242 6 HD1 PHE 1 HD1 PHE 1 -13.355 16.065 -2.319 7 HD2 PHE 1 HD2 PHE 1 -13.589 14.437 1.663 8 HE1 PHE 1 HE1 PHE 1 -15.116 17.691 -1.750 9 HE2 PHE 1 HE2 PHE 1 -15.340 16.077 2.220 10 HZ PHE 1 HZ PHE 1 -16.114 17.701 0.516 11 H ASN 2 H ASN 2 -11.628 13.802 -3.683 12 HA ASN 2 HA ASN 2 -9.959 11.491 -4.463 13 HB2 ASN 2 1HB ASN 2 -10.825 13.398 -5.981 14 HB3 ASN 2 2HB ASN 2 -9.608 14.450 -5.288 15 HD21 ASN 2 1HD2 ASN 2 -8.650 14.673 -7.350 16 HD22 ASN 2 2HD2 ASN 2 -7.821 13.265 -8.179 17 H VAL 3 H VAL 3 -9.223 14.413 -2.630 18 HA VAL 3 HA VAL 3 -6.354 13.681 -2.145 19 HB VAL 3 HB VAL 3 -6.962 16.021 -2.333 20 HG11 VAL 3 1HG1 VAL 3 -8.441 15.872 0.381 21 HG12 VAL 3 2HG1 VAL 3 -8.084 17.327 -0.574 22 HG13 VAL 3 3HG1 VAL 3 -9.228 16.123 -1.185 23 HG21 VAL 3 3HG2 VAL 3 -5.861 15.374 0.479 24 HG22 VAL 3 1HG2 VAL 3 -4.939 15.339 -1.042 25 HG23 VAL 3 2HG2 VAL 3 -5.623 16.868 -0.446 26 H LYS 4 H LYS 4 -5.825 12.106 -0.817 27 HA LYS 4 HA LYS 4 -7.278 11.731 1.829 28 HB2 LYS 4 1HB LYS 4 -7.044 9.520 -0.313 29 HB3 LYS 4 2HB LYS 4 -7.151 9.125 1.398 30 HG2 LYS 4 1HG LYS 4 -9.284 10.492 1.599 31 HG3 LYS 4 2HG LYS 4 -9.256 10.778 -0.138 32 HD2 LYS 4 1HD LYS 4 -9.373 8.348 -0.621 33 HD3 LYS 4 2HD LYS 4 -9.267 7.922 1.079 34 HE2 LYS 4 1HE LYS 4 -11.558 9.634 -0.142 35 HE3 LYS 4 2HE LYS 4 -11.619 7.879 -0.025 36 HZ1 LYS 4 3HZ LYS 4 -12.693 8.943 1.970 37 HZ2 LYS 4 1HZ LYS 4 -11.385 8.066 2.450 38 HZ3 LYS 4 2HZ LYS 4 -11.288 9.696 2.369 39 H GLN 5 H GLN 5 -5.982 11.460 3.403 40 HA GLN 5 HA GLN 5 -3.086 11.272 3.209 41 HB2 GLN 5 1HB GLN 5 -5.155 11.151 5.484 42 HB3 GLN 5 2HB GLN 5 -3.523 10.692 5.870 43 HG2 GLN 5 1HG GLN 5 -4.174 13.396 4.556 44 HG3 GLN 5 2HG GLN 5 -4.131 13.107 6.286 45 HE21 GLN 5 1HE2 GLN 5 -2.496 14.710 6.299 46 HE22 GLN 5 2HE2 GLN 5 -0.843 14.381 5.609 47 H LYS 6 H LYS 6 -1.780 9.786 4.459 48 HA LYS 6 HA LYS 6 -1.820 7.490 2.698 49 HB2 LYS 6 1HB LYS 6 0.266 8.055 4.879 50 HB3 LYS 6 2HB LYS 6 0.491 7.028 3.483 51 HG2 LYS 6 1HG LYS 6 0.151 10.092 3.465 52 HG3 LYS 6 2HG LYS 6 1.621 9.182 3.375 53 HD2 LYS 6 1HD LYS 6 1.275 9.961 1.282 54 HD3 LYS 6 2HD LYS 6 1.025 8.266 1.136 55 HE2 LYS 6 1HE LYS 6 -1.402 8.519 0.792 56 HE3 LYS 6 2HE LYS 6 -1.441 10.092 1.524 57 HZ1 LYS 6 3HZ LYS 6 -0.255 11.046 -0.317 58 HZ2 LYS 6 1HZ LYS 6 0.124 9.608 -1.022 59 HZ3 LYS 6 2HZ LYS 6 -1.450 10.190 -1.006 60 H SER 7 H SER 7 -1.773 5.342 2.993 61 HA SER 7 HA SER 7 -2.824 4.250 5.680 62 HB2 SER 7 1HB SER 7 -3.909 3.555 2.866 63 HB3 SER 7 2HB SER 7 -4.376 2.767 4.375 64 HG SER 7 HG SER 7 -4.549 5.583 4.048 65 H GLU 8 H GLU 8 -1.024 3.157 6.297 66 HA GLU 8 HA GLU 8 0.384 1.241 4.338 67 HB2 GLU 8 1HB GLU 8 1.396 2.654 6.886 68 HB3 GLU 8 2HB GLU 8 2.273 1.371 6.066 69 HG2 GLU 8 1HG GLU 8 2.410 2.738 3.953 70 HG3 GLU 8 2HG GLU 8 1.496 4.039 4.704 71 H ILE 9 H ILE 9 -0.779 -0.645 4.554 72 HA ILE 9 HA ILE 9 -1.309 -1.730 7.381 73 HB ILE 9 HB ILE 9 -2.622 -2.532 4.740 74 HG12 ILE 9 1HG1 ILE 9 -3.420 -0.302 5.316 75 HG13 ILE 9 2HG1 ILE 9 -4.690 -1.489 5.489 76 HG21 ILE 9 1HG2 ILE 9 -2.659 -4.479 6.209 77 HG22 ILE 9 2HG2 ILE 9 -3.344 -3.534 7.547 78 HG23 ILE 9 3HG2 ILE 9 -4.281 -3.811 6.046 79 HD11 ILE 9 3HD1 ILE 9 -4.769 0.169 7.334 80 HD12 ILE 9 1HD1 ILE 9 -4.414 -1.422 8.028 81 HD13 ILE 9 2HD1 ILE 9 -3.116 -0.220 7.839 82 H THR 10 H THR 10 -0.697 -3.649 7.962 83 HA THR 10 HA THR 10 1.729 -4.784 6.935 84 HB THR 10 HB THR 10 0.984 -4.624 9.319 85 HG1 THR 10 HG1 THR 10 1.811 -6.846 9.751 86 HG21 THR 10 3HG2 THR 10 -0.490 -7.304 8.862 87 HG22 THR 10 1HG2 THR 10 -0.232 -6.465 10.403 88 HG23 THR 10 2HG2 THR 10 -1.311 -5.770 9.186 89 H ALA 11 H ALA 11 2.223 -7.031 6.631 90 HA ALA 11 HA ALA 11 0.922 -8.056 4.278 91 HB1 ALA 11 3HB ALA 11 3.116 -9.414 5.980 92 HB2 ALA 11 1HB ALA 11 2.809 -9.653 4.243 93 HB3 ALA 11 2HB ALA 11 3.403 -8.102 4.806 94 H LEU 12 H LEU 12 -0.605 -9.475 3.961 95 HA LEU 12 HA LEU 12 -1.662 -11.195 6.234 96 HB2 LEU 12 1HB LEU 12 -2.925 -9.618 3.945 97 HB3 LEU 12 2HB LEU 12 -3.592 -11.187 4.149 98 HG LEU 12 HG LEU 12 -4.868 -9.485 5.288 99 HD11 LEU 12 1HD1 LEU 12 -5.266 -10.661 7.414 100 HD12 LEU 12 2HD1 LEU 12 -4.959 -11.836 6.127 101 HD13 LEU 12 3HD1 LEU 12 -3.698 -11.483 7.333 102 HD21 LEU 12 3HD2 LEU 12 -2.517 -9.082 7.255 103 HD22 LEU 12 1HD2 LEU 12 -3.039 -7.917 6.027 104 HD23 LEU 12 2HD2 LEU 12 -4.128 -8.348 7.360 105 H VAL 13 H VAL 13 -2.239 -13.223 5.843 106 HA VAL 13 HA VAL 13 -0.891 -14.986 3.887 107 HB VAL 13 HB VAL 13 -2.588 -16.717 4.648 108 HG11 VAL 13 1HG1 VAL 13 -0.322 -16.594 5.655 109 HG12 VAL 13 2HG1 VAL 13 -0.892 -15.430 6.878 110 HG13 VAL 13 3HG1 VAL 13 -1.520 -17.091 6.861 111 HG21 VAL 13 3HG2 VAL 13 -4.501 -15.347 5.452 112 HG22 VAL 13 1HG2 VAL 13 -3.850 -16.297 6.809 113 HG23 VAL 13 2HG2 VAL 13 -3.496 -14.582 6.702 114 H LYS 14 H LYS 14 -1.593 -15.685 1.944 115 HA LYS 14 HA LYS 14 -3.634 -13.895 0.659 116 HB2 LYS 14 1HB LYS 14 -1.411 -14.297 -0.327 117 HB3 LYS 14 2HB LYS 14 -1.813 -15.972 -0.697 118 HG2 LYS 14 1HG LYS 14 -3.660 -15.189 -2.238 119 HG3 LYS 14 2HG LYS 14 -3.417 -13.520 -1.720 120 HD2 LYS 14 1HD LYS 14 -1.055 -13.560 -2.625 121 HD3 LYS 14 2HD LYS 14 -1.274 -15.236 -3.154 122 HE2 LYS 14 1HE LYS 14 -3.112 -14.574 -4.726 123 HE3 LYS 14 2HE LYS 14 -3.095 -12.913 -4.124 124 HZ1 LYS 14 3HZ LYS 14 -1.675 -13.169 -6.199 125 HZ2 LYS 14 1HZ LYS 14 -0.791 -12.632 -4.904 126 HZ3 LYS 14 2HZ LYS 14 -0.674 -14.202 -5.391 127 H GLU 15 H GLU 15 -5.453 -14.383 -0.212 128 HA GLU 15 HA GLU 15 -7.015 -16.383 1.046 129 HB2 GLU 15 1HB GLU 15 -7.779 -14.417 -1.218 130 HB3 GLU 15 2HB GLU 15 -8.886 -15.231 -0.131 131 HG2 GLU 15 1HG GLU 15 -8.764 -13.101 0.781 132 HG3 GLU 15 2HG GLU 15 -7.736 -14.011 1.861 133 H VAL 16 H VAL 16 -7.078 -18.452 0.461 134 HA VAL 16 HA VAL 16 -7.022 -19.277 -2.479 135 HB VAL 16 HB VAL 16 -6.423 -21.369 -0.340 136 HG11 VAL 16 1HG1 VAL 16 -6.386 -21.804 -2.919 137 HG12 VAL 16 2HG1 VAL 16 -4.991 -20.725 -3.021 138 HG13 VAL 16 3HG1 VAL 16 -4.890 -22.227 -2.075 139 HG21 VAL 16 3HG2 VAL 16 -4.244 -19.290 -1.052 140 HG22 VAL 16 1HG2 VAL 16 -4.928 -19.592 0.557 141 HG23 VAL 16 2HG2 VAL 16 -3.991 -20.859 -0.238 142 H THR 17 H THR 17 -8.486 -20.796 -3.260 143 HA THR 17 HA THR 17 -11.130 -20.797 -2.063 144 HB THR 17 HB THR 17 -10.110 -22.479 -4.427 145 HG1 THR 17 HG1 THR 17 -11.655 -20.151 -4.525 146 HG21 THR 17 3HG2 THR 17 -12.477 -22.443 -5.203 147 HG22 THR 17 1HG2 THR 17 -12.363 -23.337 -3.677 148 HG23 THR 17 2HG2 THR 17 -13.007 -21.690 -3.684 149 HA PRO 18 HA PRO 18 -10.778 -25.207 -0.234 150 HB2 PRO 18 1HB PRO 18 -8.515 -26.781 -0.418 151 HB3 PRO 18 2HB PRO 18 -9.687 -26.654 -1.749 152 HG2 PRO 18 1HG PRO 18 -7.027 -25.139 -1.454 153 HG3 PRO 18 2HG PRO 18 -7.623 -26.024 -2.885 154 HD2 PRO 18 1HD PRO 18 -7.901 -23.251 -2.446 155 HD3 PRO 18 2HD PRO 18 -8.977 -24.148 -3.538 156 HA PRO 19 HA PRO 19 -8.869 -23.505 3.460 157 HB2 PRO 19 1HB PRO 19 -8.829 -25.551 5.339 158 HB3 PRO 19 2HB PRO 19 -10.294 -24.788 4.689 159 HG2 PRO 19 1HG PRO 19 -8.976 -27.391 3.695 160 HG3 PRO 19 2HG PRO 19 -10.677 -27.161 4.181 161 HD2 PRO 19 1HD PRO 19 -9.969 -27.026 1.527 162 HD3 PRO 19 2HD PRO 19 -11.172 -25.869 2.174 163 H ARG 20 H ARG 20 -6.992 -23.228 2.144 164 HA ARG 20 HA ARG 20 -4.474 -24.211 3.592 165 HB2 ARG 20 1HB ARG 20 -5.199 -24.402 0.716 166 HB3 ARG 20 2HB ARG 20 -3.933 -23.233 0.832 167 HG2 ARG 20 1HG ARG 20 -2.679 -25.174 0.574 168 HG3 ARG 20 2HG ARG 20 -2.605 -24.967 2.300 169 HD2 ARG 20 1HD ARG 20 -3.081 -27.278 2.041 170 HD3 ARG 20 2HD ARG 20 -4.654 -26.594 2.499 171 HE ARG 20 HE ARG 20 -4.333 -26.617 -0.455 172 HH11 ARG 20 2HH2 ARG 20 -5.072 -28.743 2.190 173 HH12 ARG 20 1HH2 ARG 20 -5.892 -29.951 1.089 174 HH21 ARG 20 2HH1 ARG 20 -5.254 -28.006 -1.680 175 HH22 ARG 20 1HH1 ARG 20 -5.984 -29.524 -1.001 176 H LYS 21 H LYS 21 -2.798 -22.730 3.872 177 HA LYS 21 HA LYS 21 -3.556 -19.766 3.564 178 HB2 LYS 21 1HB LYS 21 -2.275 -21.153 5.998 179 HB3 LYS 21 2HB LYS 21 -2.341 -19.414 5.808 180 HG2 LYS 21 1HG LYS 21 -4.835 -21.246 5.857 181 HG3 LYS 21 2HG LYS 21 -4.165 -20.463 7.276 182 HD2 LYS 21 1HD LYS 21 -4.680 -18.251 6.531 183 HD3 LYS 21 2HD LYS 21 -4.927 -18.723 4.852 184 HE2 LYS 21 1HE LYS 21 -6.966 -20.096 5.546 185 HE3 LYS 21 2HE LYS 21 -6.770 -19.520 7.212 186 HZ1 LYS 21 3HZ LYS 21 -7.096 -17.681 4.828 187 HZ2 LYS 21 1HZ LYS 21 -8.331 -18.064 5.837 188 HZ3 LYS 21 2HZ LYS 21 -7.051 -17.189 6.391 189 H ALA 22 H ALA 22 -2.346 -19.089 1.985 190 HA ALA 22 HA ALA 22 0.484 -19.997 1.588 191 HB1 ALA 22 3HB ALA 22 -1.006 -19.798 -0.331 192 HB2 ALA 22 1HB ALA 22 -1.323 -18.079 -0.006 193 HB3 ALA 22 2HB ALA 22 0.298 -18.614 -0.504 194 HA PRO 23 HA PRO 23 1.676 -16.265 4.104 195 HB2 PRO 23 1HB PRO 23 4.294 -16.870 4.691 196 HB3 PRO 23 2HB PRO 23 2.908 -17.770 5.347 197 HG2 PRO 23 1HG PRO 23 4.593 -18.530 2.874 198 HG3 PRO 23 2HG PRO 23 4.256 -19.552 4.297 199 HD2 PRO 23 1HD PRO 23 2.721 -19.730 2.004 200 HD3 PRO 23 2HD PRO 23 1.958 -19.902 3.619 201 H SER 24 H SER 24 1.201 -15.215 2.086 202 HA SER 24 HA SER 24 3.282 -14.452 0.179 203 HB2 SER 24 1HB SER 24 0.796 -14.809 -0.246 204 HB3 SER 24 2HB SER 24 0.463 -13.257 0.547 205 HG SER 24 HG SER 24 2.047 -13.745 -1.778 206 H LYS 25 H LYS 25 4.155 -12.469 -0.271 207 HA LYS 25 HA LYS 25 4.533 -10.546 2.057 208 HB2 LYS 25 1HB LYS 25 5.992 -10.897 -0.623 209 HB3 LYS 25 2HB LYS 25 6.092 -9.390 0.247 210 HG2 LYS 25 1HG LYS 25 7.996 -10.635 0.872 211 HG3 LYS 25 2HG LYS 25 6.967 -10.458 2.289 212 HD2 LYS 25 1HD LYS 25 6.113 -12.845 1.930 213 HD3 LYS 25 2HD LYS 25 7.190 -13.002 0.539 214 HE2 LYS 25 1HE LYS 25 9.205 -12.639 2.055 215 HE3 LYS 25 2HE LYS 25 8.132 -12.369 3.435 216 HZ1 LYS 25 3HZ LYS 25 8.284 -14.942 1.849 217 HZ2 LYS 25 1HZ LYS 25 8.797 -14.751 3.400 218 HZ3 LYS 25 2HZ LYS 25 7.194 -14.682 3.039 219 H ALA 26 H ALA 26 2.596 -9.603 2.235 220 HA ALA 26 HA ALA 26 1.419 -8.045 -0.088 221 HB1 ALA 26 3HB ALA 26 -0.660 -8.054 1.363 222 HB2 ALA 26 1HB ALA 26 -0.082 -9.685 0.964 223 HB3 ALA 26 2HB ALA 26 0.212 -9.031 2.552 224 H LYS 27 H LYS 27 1.472 -5.945 -0.111 225 HA LYS 27 HA LYS 27 1.709 -4.339 2.494 226 HB2 LYS 27 1HB LYS 27 3.482 -3.919 -0.018 227 HB3 LYS 27 2HB LYS 27 3.102 -2.643 1.102 228 HG2 LYS 27 1HG LYS 27 5.074 -3.264 1.967 229 HG3 LYS 27 2HG LYS 27 3.959 -4.084 3.037 230 HD2 LYS 27 1HD LYS 27 4.463 -6.052 1.019 231 HD3 LYS 27 2HD LYS 27 5.968 -5.182 1.039 232 HE2 LYS 27 1HE LYS 27 4.558 -6.496 3.486 233 HE3 LYS 27 2HE LYS 27 5.853 -7.239 2.568 234 HZ1 LYS 27 3HZ LYS 27 6.760 -6.054 4.601 235 HZ2 LYS 27 1HZ LYS 27 7.346 -5.318 3.244 236 HZ3 LYS 27 2HZ LYS 27 6.128 -4.630 4.080 237 H ARG 28 H ARG 28 0.139 -2.917 2.661 238 HA ARG 28 HA ARG 28 -1.419 -2.056 0.157 239 HB2 ARG 28 1HB ARG 28 -2.719 -1.739 2.861 240 HB3 ARG 28 2HB ARG 28 -3.400 -1.845 1.272 241 HG2 ARG 28 1HG ARG 28 -2.695 -4.360 1.233 242 HG3 ARG 28 2HG ARG 28 -2.225 -4.183 2.918 243 HD2 ARG 28 1HD ARG 28 -4.588 -3.559 3.559 244 HD3 ARG 28 2HD ARG 28 -5.080 -3.650 1.847 245 HE ARG 28 HE ARG 28 -3.706 -6.148 2.742 246 HH11 ARG 28 2HH2 ARG 28 -6.817 -4.596 2.790 247 HH12 ARG 28 1HH2 ARG 28 -7.687 -6.205 2.846 248 HH21 ARG 28 2HH1 ARG 28 -4.726 -7.944 2.792 249 HH22 ARG 28 1HH1 ARG 28 -6.536 -8.003 2.830 250 H GLU 29 H GLU 29 -0.602 -0.098 -0.372 251 HA GLU 29 HA GLU 29 0.249 1.864 1.820 252 HB2 GLU 29 1HB GLU 29 2.177 0.967 -0.380 253 HB3 GLU 29 2HB GLU 29 2.442 2.281 0.736 254 HG2 GLU 29 1HG GLU 29 2.652 0.838 2.671 255 HG3 GLU 29 2HG GLU 29 2.013 -0.568 1.841 256 H ALA 30 H ALA 30 -0.221 3.878 1.304 257 HA ALA 30 HA ALA 30 -1.050 4.690 -1.490 258 HB1 ALA 30 3HB ALA 30 -2.362 5.341 0.565 259 HB2 ALA 30 1HB ALA 30 -0.946 6.289 1.128 260 HB3 ALA 30 2HB ALA 30 -1.801 6.714 -0.355 261 HA PRO 31 HA PRO 31 2.976 7.035 -1.867 262 HB2 PRO 31 1HB PRO 31 3.530 6.682 -4.484 263 HB3 PRO 31 2HB PRO 31 3.607 5.359 -3.318 264 HG2 PRO 31 1HG PRO 31 1.271 5.998 -5.234 265 HG3 PRO 31 2HG PRO 31 2.098 4.430 -5.033 266 HD2 PRO 31 1HD PRO 31 -0.272 5.137 -3.679 267 HD3 PRO 31 2HD PRO 31 0.912 3.971 -3.016 268 H ILE 32 H ILE 32 1.837 7.990 -4.958 269 HA ILE 32 HA ILE 32 1.024 10.704 -3.792 270 HB ILE 32 HB ILE 32 2.089 11.802 -5.772 271 HG12 ILE 32 1HG1 ILE 32 3.380 9.083 -6.307 272 HG13 ILE 32 2HG1 ILE 32 2.308 9.986 -7.346 273 HG21 ILE 32 1HG2 ILE 32 3.030 11.598 -3.382 274 HG22 ILE 32 2HG2 ILE 32 4.224 10.440 -4.013 275 HG23 ILE 32 3HG2 ILE 32 4.150 12.083 -4.652 276 HD11 ILE 32 3HD1 ILE 32 4.300 11.871 -7.215 277 HD12 ILE 32 1HD1 ILE 32 5.236 10.431 -6.756 278 HD13 ILE 32 2HD1 ILE 32 4.428 10.455 -8.291 279 H LYS 33 H LYS 33 -0.814 11.523 -4.397 280 HA LYS 33 HA LYS 33 -2.499 10.321 -6.546 281 HB2 LYS 33 1HB LYS 33 -3.404 11.149 -4.370 282 HB3 LYS 33 2HB LYS 33 -2.914 12.780 -4.743 283 HG2 LYS 33 1HG LYS 33 -5.269 12.617 -5.109 284 HG3 LYS 33 2HG LYS 33 -4.520 12.868 -6.669 285 HD2 LYS 33 1HD LYS 33 -6.178 11.300 -7.077 286 HD3 LYS 33 2HD LYS 33 -4.737 10.339 -7.144 287 HE2 LYS 33 1HE LYS 33 -5.202 9.104 -5.234 288 HE3 LYS 33 2HE LYS 33 -5.937 10.428 -4.354 289 HZ1 LYS 33 3HZ LYS 33 -7.799 9.005 -5.009 290 HZ2 LYS 33 1HZ LYS 33 -7.861 10.294 -6.030 291 HZ3 LYS 33 2HZ LYS 33 -7.261 8.880 -6.593 292 H TYR 34 H TYR 34 -0.189 12.816 -6.562 293 HA TYR 34 HA TYR 34 -1.157 14.363 -8.937 294 HB2 TYR 34 1HB TYR 34 0.506 15.236 -7.252 295 HB3 TYR 34 2HB TYR 34 1.669 14.030 -7.753 296 HD1 TYR 34 HD1 TYR 34 -0.378 16.905 -9.148 297 HD2 TYR 34 HD2 TYR 34 3.245 14.592 -9.483 298 HE1 TYR 34 HE1 TYR 34 0.479 18.475 -10.847 299 HE2 TYR 34 HE2 TYR 34 4.085 16.175 -11.157 300 HH TYR 34 HH TYR 34 3.517 17.877 -12.517 301 H TRP 35 H TRP 35 1.010 11.550 -8.632 302 HA TRP 35 HA TRP 35 1.152 11.300 -11.669 303 HB2 TRP 35 1HB TRP 35 3.234 11.097 -10.223 304 HB3 TRP 35 2HB TRP 35 2.581 9.606 -9.538 305 HD1 TRP 35 HD1 TRP 35 3.275 10.956 -13.258 306 HE1 TRP 35 HE1 TRP 35 4.539 9.131 -14.664 307 HE3 TRP 35 HE3 TRP 35 3.410 7.332 -9.608 308 HZ2 TRP 35 HZ2 TRP 35 5.465 6.499 -14.101 309 HZ3 TRP 35 HZ3 TRP 35 4.554 5.194 -10.109 310 HH2 TRP 35 HH2 TRP 35 5.561 4.781 -12.308 311 H LEU 36 H LEU 36 -0.106 9.332 -8.861 312 HA LEU 36 HA LEU 36 -1.368 7.460 -10.926 313 HB2 LEU 36 1HB LEU 36 -0.929 6.979 -7.919 314 HB3 LEU 36 2HB LEU 36 -1.693 5.857 -9.037 315 HG LEU 36 HG LEU 36 1.250 6.760 -9.101 316 HD11 LEU 36 1HD1 LEU 36 0.576 5.212 -7.207 317 HD12 LEU 36 2HD1 LEU 36 0.010 4.012 -8.391 318 HD13 LEU 36 3HD1 LEU 36 1.730 4.464 -8.323 319 HD21 LEU 36 3HD2 LEU 36 1.564 4.925 -10.825 320 HD22 LEU 36 1HD2 LEU 36 -0.201 4.716 -10.934 321 HD23 LEU 36 2HD2 LEU 36 0.566 6.245 -11.440 322 HA PRO 37 HA PRO 37 -5.298 9.373 -9.522 323 HB2 PRO 37 1HB PRO 37 -7.174 7.759 -10.796 324 HB3 PRO 37 2HB PRO 37 -6.124 8.929 -11.619 325 HG2 PRO 37 1HG PRO 37 -5.601 5.908 -11.294 326 HG3 PRO 37 2HG PRO 37 -5.606 6.847 -12.809 327 HD2 PRO 37 1HD PRO 37 -3.252 6.317 -11.477 328 HD3 PRO 37 2HD PRO 37 -3.486 7.909 -12.268 329 H HIS 38 H HIS 38 -4.304 6.358 -8.358 330 HA HIS 38 HA HIS 38 -6.349 6.560 -6.081 331 HB2 HIS 38 1HB HIS 38 -6.770 4.697 -7.849 332 HB3 HIS 38 2HB HIS 38 -5.278 3.937 -7.343 333 HD1 HIS 38 HD1 HIS 38 -5.326 2.627 -4.937 334 HD2 HIS 38 HD2 HIS 38 -8.909 4.747 -6.007 335 HE1 HIS 38 HE1 HIS 38 -7.241 1.928 -3.384 336 HE2 HIS 38 HE2 HIS 38 -9.461 3.136 -3.948 337 H SER 39 H SER 39 -5.204 7.211 -4.355 338 HA SER 39 HA SER 39 -2.392 6.226 -3.815 339 HB2 SER 39 1HB SER 39 -2.504 7.868 -1.907 340 HB3 SER 39 2HB SER 39 -2.496 8.506 -3.541 341 HG SER 39 HG SER 39 -4.005 9.538 -2.110 342 H GLY 40 H GLY 40 -2.773 4.132 -3.389 343 HA2 GLY 40 1HA GLY 40 -2.881 3.037 -0.874 344 HA3 GLY 40 2HA GLY 40 -4.612 3.227 -1.128 345 H ALA 41 H ALA 41 -1.724 1.599 -2.281 346 HA ALA 41 HA ALA 41 -3.438 -0.271 -4.032 347 HB1 ALA 41 3HB ALA 41 -0.460 0.510 -4.283 348 HB2 ALA 41 1HB ALA 41 -1.358 -0.571 -5.371 349 HB3 ALA 41 2HB ALA 41 -1.812 1.137 -5.257 350 H THR 42 H THR 42 -3.724 -2.235 -3.284 351 HA THR 42 HA THR 42 -1.775 -3.575 -1.391 352 HB THR 42 HB THR 42 -4.032 -3.605 -0.689 353 HG1 THR 42 HG1 THR 42 -3.480 -6.229 -1.508 354 HG21 THR 42 3HG2 THR 42 -5.776 -5.060 -1.648 355 HG22 THR 42 1HG2 THR 42 -5.415 -3.752 -2.786 356 HG23 THR 42 2HG2 THR 42 -4.806 -5.382 -3.098 357 H TRP 43 H TRP 43 -0.190 -4.673 -2.215 358 HA TRP 43 HA TRP 43 -0.657 -6.446 -4.707 359 HB2 TRP 43 1HB TRP 43 0.989 -4.522 -5.041 360 HB3 TRP 43 2HB TRP 43 2.048 -5.271 -3.838 361 HD1 TRP 43 HD1 TRP 43 1.538 -8.485 -5.199 362 HE1 TRP 43 HE1 TRP 43 2.940 -9.115 -7.318 363 HE3 TRP 43 HE3 TRP 43 2.693 -3.671 -6.680 364 HZ2 TRP 43 HZ2 TRP 43 4.392 -7.641 -9.230 365 HZ3 TRP 43 HZ3 TRP 43 4.167 -3.389 -8.654 366 HH2 TRP 43 HH2 TRP 43 5.019 -5.337 -9.887 367 H SER 44 H SER 44 -1.349 -8.206 -3.535 368 HA SER 44 HA SER 44 0.421 -9.474 -1.429 369 HB2 SER 44 1HB SER 44 -2.200 -10.479 -2.688 370 HB3 SER 44 2HB SER 44 -1.289 -11.285 -1.398 371 HG SER 44 HG SER 44 -2.938 -9.970 -0.569 372 H GLY 45 H GLY 45 2.314 -9.978 -2.445 373 HA2 GLY 45 1HA GLY 45 2.732 -12.542 -3.607 374 HA3 GLY 45 2HA GLY 45 2.435 -11.553 -5.024 375 H ARG 46 H ARG 46 3.847 -9.729 -5.337 376 HA ARG 46 HA ARG 46 6.739 -10.349 -4.660 377 HB2 ARG 46 1HB ARG 46 6.138 -9.907 -6.994 378 HB3 ARG 46 2HB ARG 46 5.455 -8.344 -6.617 379 HG2 ARG 46 1HG ARG 46 8.421 -8.883 -5.968 380 HG3 ARG 46 2HG ARG 46 7.902 -8.692 -7.633 381 HD2 ARG 46 1HD ARG 46 6.827 -6.449 -7.045 382 HD3 ARG 46 2HD ARG 46 7.476 -6.548 -5.427 383 HE ARG 46 HE ARG 46 9.051 -6.233 -8.036 384 HH11 ARG 46 2HH2 ARG 46 9.275 -6.387 -4.543 385 HH12 ARG 46 1HH2 ARG 46 11.002 -5.822 -4.591 386 HH21 ARG 46 2HH1 ARG 46 10.999 -5.587 -8.015 387 HH22 ARG 46 1HH1 ARG 46 11.912 -5.402 -6.456 388 H GLY 47 H GLY 47 7.879 -9.140 -3.321 389 HA2 GLY 47 1HA GLY 47 6.478 -7.465 -1.278 390 HA3 GLY 47 2HA GLY 47 8.184 -7.849 -1.278 391 H LYS 48 H LYS 48 5.862 -5.859 -3.004 392 HA LYS 48 HA LYS 48 7.815 -3.712 -3.615 393 HB2 LYS 48 1HB LYS 48 6.051 -2.515 -4.645 394 HB3 LYS 48 2HB LYS 48 5.911 -4.201 -5.047 395 HG2 LYS 48 1HG LYS 48 3.719 -3.880 -4.663 396 HG3 LYS 48 2HG LYS 48 4.128 -4.249 -3.001 397 HD2 LYS 48 1HD LYS 48 4.414 -1.668 -2.636 398 HD3 LYS 48 2HD LYS 48 3.770 -1.441 -4.267 399 HE2 LYS 48 1HE LYS 48 1.611 -2.532 -3.646 400 HE3 LYS 48 2HE LYS 48 2.276 -3.086 -2.106 401 HZ1 LYS 48 3HZ LYS 48 0.905 -1.010 -1.915 402 HZ2 LYS 48 1HZ LYS 48 2.434 -0.825 -1.305 403 HZ3 LYS 48 2HZ LYS 48 2.049 -0.156 -2.755 404 H ILE 49 H ILE 49 8.620 -2.286 -2.200 405 HA ILE 49 HA ILE 49 6.698 -0.923 -0.240 406 HB ILE 49 HB ILE 49 9.730 -1.198 0.286 407 HG12 ILE 49 1HG1 ILE 49 8.762 -2.518 2.422 408 HG13 ILE 49 2HG1 ILE 49 7.369 -2.860 1.405 409 HG21 ILE 49 1HG2 ILE 49 8.580 0.839 1.207 410 HG22 ILE 49 2HG2 ILE 49 7.389 -0.172 2.041 411 HG23 ILE 49 3HG2 ILE 49 9.109 -0.228 2.514 412 HD11 ILE 49 3HD1 ILE 49 8.915 -4.096 -0.215 413 HD12 ILE 49 1HD1 ILE 49 10.318 -3.606 0.758 414 HD13 ILE 49 2HD1 ILE 49 9.102 -4.709 1.434 415 HA PRO 50 HA PRO 50 8.410 2.294 -3.193 416 HB2 PRO 50 1HB PRO 50 6.333 4.094 -3.203 417 HB3 PRO 50 2HB PRO 50 6.142 2.454 -3.861 418 HG2 PRO 50 1HG PRO 50 5.331 3.444 -1.053 419 HG3 PRO 50 2HG PRO 50 4.312 2.559 -2.215 420 HD2 PRO 50 1HD PRO 50 5.801 1.343 -0.140 421 HD3 PRO 50 2HD PRO 50 5.330 0.467 -1.633 422 H LYS 51 H LYS 51 9.489 2.124 -0.742 423 HA LYS 51 HA LYS 51 9.703 4.844 0.522 424 HB2 LYS 51 1HB LYS 51 11.145 2.198 1.045 425 HB3 LYS 51 2HB LYS 51 11.778 3.673 1.732 426 HG2 LYS 51 1HG LYS 51 8.856 2.754 2.137 427 HG3 LYS 51 2HG LYS 51 10.186 2.278 3.186 428 HD2 LYS 51 1HD LYS 51 10.620 4.670 3.784 429 HD3 LYS 51 2HD LYS 51 9.349 5.230 2.717 430 HE2 LYS 51 1HE LYS 51 8.885 3.310 5.117 431 HE3 LYS 51 2HE LYS 51 8.796 5.059 5.230 432 HZ1 LYS 51 3HZ LYS 51 6.951 3.406 3.472 433 HZ2 LYS 51 1HZ LYS 51 6.528 4.111 4.854 434 HZ3 LYS 51 2HZ LYS 51 6.900 5.039 3.578 435 HA PRO 52 HA PRO 52 13.662 5.579 -2.118 436 HB2 PRO 52 1HB PRO 52 14.140 4.047 -4.403 437 HB3 PRO 52 2HB PRO 52 14.826 3.705 -2.801 438 HG2 PRO 52 1HG PRO 52 12.294 2.461 -4.037 439 HG3 PRO 52 2HG PRO 52 13.677 1.600 -3.316 440 HD2 PRO 52 1HD PRO 52 11.398 2.082 -1.870 441 HD3 PRO 52 2HD PRO 52 12.989 2.193 -1.062 442 H PHE 53 H PHE 53 10.595 4.627 -3.410 443 HA PHE 53 HA PHE 53 10.585 6.663 -5.642 444 HB2 PHE 53 1HB PHE 53 9.358 4.569 -5.981 445 HB3 PHE 53 2HB PHE 53 8.367 4.837 -4.562 446 HD1 PHE 53 HD2 PHE 53 9.225 6.371 -7.926 447 HD2 PHE 53 HD1 PHE 53 6.352 6.195 -4.728 448 HE1 PHE 53 HE2 PHE 53 7.586 7.586 -9.320 449 HE2 PHE 53 HE1 PHE 53 4.746 7.428 -6.109 450 HZ PHE 53 HZ PHE 53 5.359 8.141 -8.406 451 H GLU 54 H GLU 54 8.678 6.332 -2.536 452 HA GLU 54 HA GLU 54 7.826 9.166 -2.735 453 HB2 GLU 54 1HB GLU 54 6.501 7.290 -1.622 454 HB3 GLU 54 2HB GLU 54 7.594 7.370 -0.249 455 HG2 GLU 54 1HG GLU 54 6.925 9.793 0.141 456 HG3 GLU 54 2HG GLU 54 5.933 9.756 -1.325 457 H ALA 55 H ALA 55 10.729 7.807 -1.520 458 HA ALA 55 HA ALA 55 11.576 10.260 0.020 459 HB1 ALA 55 3HB ALA 55 12.495 8.054 0.686 460 HB2 ALA 55 1HB ALA 55 13.227 7.826 -0.922 461 HB3 ALA 55 2HB ALA 55 13.773 9.141 0.127 462 H TRP 56 H TRP 56 12.354 8.823 -3.262 463 HA TRP 56 HA TRP 56 13.908 11.281 -3.956 464 HB2 TRP 56 1HB TRP 56 14.305 8.825 -4.877 465 HB3 TRP 56 2HB TRP 56 13.058 9.211 -6.059 466 HD1 TRP 56 HD1 TRP 56 13.919 10.871 -8.136 467 HE1 TRP 56 HE1 TRP 56 16.103 12.208 -8.740 468 HE3 TRP 56 HE3 TRP 56 16.353 10.138 -3.669 469 HZ2 TRP 56 HZ2 TRP 56 18.488 12.837 -7.314 470 HZ3 TRP 56 HZ3 TRP 56 18.569 11.207 -3.336 471 HH2 TRP 56 HH2 TRP 56 19.613 12.529 -5.119 472 H ILE 57 H ILE 57 10.606 10.186 -4.671 473 HA ILE 57 HA ILE 57 9.782 12.754 -6.008 474 HB ILE 57 HB ILE 57 8.292 10.486 -4.573 475 HG12 ILE 57 1HG1 ILE 57 9.241 9.773 -6.689 476 HG13 ILE 57 2HG1 ILE 57 7.504 9.750 -6.681 477 HG21 ILE 57 1HG2 ILE 57 6.658 12.514 -6.139 478 HG22 ILE 57 2HG2 ILE 57 6.206 11.142 -5.101 479 HG23 ILE 57 3HG2 ILE 57 6.822 12.611 -4.397 480 HD11 ILE 57 3HD1 ILE 57 7.458 11.865 -8.120 481 HD12 ILE 57 1HD1 ILE 57 9.236 11.900 -8.096 482 HD13 ILE 57 2HD1 ILE 57 8.377 10.547 -8.859 483 H GLY 58 H GLY 58 11.019 12.404 -2.937 484 HA2 GLY 58 1HA GLY 58 9.653 15.006 -2.065 485 HA3 GLY 58 2HA GLY 58 10.096 13.808 -0.869 486 H THR 59 H THR 59 12.767 13.375 -2.339 487 HA THR 59 HA THR 59 14.448 15.051 -0.856 488 HB THR 59 HB THR 59 15.144 14.020 -3.686 489 HG1 THR 59 HG1 THR 59 14.610 12.323 -2.394 490 HG21 THR 59 3HG2 THR 59 17.496 13.907 -2.834 491 HG22 THR 59 1HG2 THR 59 16.949 15.588 -2.879 492 HG23 THR 59 2HG2 THR 59 17.022 14.722 -1.331 493 H ALA 60 H ALA 60 13.337 15.888 -4.037 494 HA ALA 60 HA ALA 60 13.834 18.842 -3.440 495 HB1 ALA 60 3HB ALA 60 15.584 18.156 -5.117 496 HB2 ALA 60 1HB ALA 60 14.323 17.602 -6.240 497 HB3 ALA 60 2HB ALA 60 14.452 19.325 -5.816 498 H ALA 61 H ALA 61 11.806 16.508 -5.175 499 HA ALA 61 HA ALA 61 9.902 18.437 -6.248 500 HB1 ALA 61 3HB ALA 61 9.614 15.448 -5.642 501 HB2 ALA 61 1HB ALA 61 8.434 16.392 -6.566 502 HB3 ALA 61 2HB ALA 61 10.093 16.193 -7.177 503 H TYR 62 H TYR 62 10.028 17.190 -3.061 504 HA TYR 62 HA TYR 62 7.341 17.542 -2.075 505 HB2 TYR 62 1HB TYR 62 9.298 16.656 -0.741 506 HB3 TYR 62 2HB TYR 62 9.951 18.266 -0.615 507 HD1 TYR 62 HD1 TYR 62 6.653 16.424 0.079 508 HD2 TYR 62 HD2 TYR 62 9.516 19.337 1.464 509 HE1 TYR 62 HE1 TYR 62 5.385 16.700 2.176 510 HE2 TYR 62 HE2 TYR 62 8.253 19.579 3.548 511 HH TYR 62 HH TYR 62 6.550 18.781 4.784 512 H THR 63 H THR 63 9.719 20.176 -2.532 513 HA THR 63 HA THR 63 7.931 22.269 -1.445 514 HB THR 63 HB THR 63 10.367 22.519 -1.493 515 HG1 THR 63 HG1 THR 63 9.166 24.607 -2.938 516 HG21 THR 63 3HG2 THR 63 11.034 21.870 -3.828 517 HG22 THR 63 1HG2 THR 63 10.107 23.219 -4.500 518 HG23 THR 63 2HG2 THR 63 11.503 23.533 -3.455 519 H ALA 64 H ALA 64 8.163 20.868 -4.634 520 HA ALA 64 HA ALA 64 6.210 22.867 -5.827 521 HB1 ALA 64 3HB ALA 64 7.217 20.278 -7.179 522 HB2 ALA 64 1HB ALA 64 6.510 21.712 -7.926 523 HB3 ALA 64 2HB ALA 64 8.124 21.818 -7.233 524 H TRP 65 H TRP 65 6.316 19.494 -4.721 525 HA TRP 65 HA TRP 65 3.575 18.701 -5.259 526 HB2 TRP 65 1HB TRP 65 5.839 17.422 -4.300 527 HB3 TRP 65 2HB TRP 65 4.985 17.624 -2.783 528 HD1 TRP 65 HD1 TRP 65 5.035 15.622 -6.030 529 HE1 TRP 65 HE1 TRP 65 3.210 13.757 -6.150 530 HE3 TRP 65 HE3 TRP 65 2.333 17.094 -1.892 531 HZ2 TRP 65 HZ2 TRP 65 0.734 13.338 -4.795 532 HZ3 TRP 65 HZ3 TRP 65 0.231 15.861 -1.365 533 HH2 TRP 65 HH2 TRP 65 -0.568 14.052 -2.833 534 H LYS 66 H LYS 66 4.889 20.258 -2.350 535 HA LYS 66 HA LYS 66 2.371 20.385 -0.824 536 HB2 LYS 66 1HB LYS 66 4.977 22.028 -0.733 537 HB3 LYS 66 2HB LYS 66 3.669 22.348 0.373 538 HG2 LYS 66 1HG LYS 66 4.982 19.558 0.100 539 HG3 LYS 66 2HG LYS 66 5.603 20.770 1.171 540 HD2 LYS 66 1HD LYS 66 2.731 19.639 1.291 541 HD3 LYS 66 2HD LYS 66 4.087 18.986 2.185 542 HE2 LYS 66 1HE LYS 66 4.405 21.100 3.472 543 HE3 LYS 66 2HE LYS 66 3.133 21.913 2.545 544 HZ1 LYS 66 3HZ LYS 66 2.667 19.418 4.184 545 HZ2 LYS 66 1HZ LYS 66 2.166 20.910 4.640 546 HZ3 LYS 66 2HZ LYS 66 1.531 20.177 3.291 547 H ALA 67 H ALA 67 3.582 22.567 -3.334 548 HA ALA 67 HA ALA 67 1.271 24.468 -3.084 549 HB1 ALA 67 3HB ALA 67 3.233 24.002 -5.427 550 HB2 ALA 67 1HB ALA 67 2.082 25.349 -5.268 551 HB3 ALA 67 2HB ALA 67 3.417 25.194 -4.117 552 H LYS 68 H LYS 68 1.840 21.482 -4.997 553 HA LYS 68 HA LYS 68 -0.767 21.726 -6.490 554 HB2 LYS 68 1HB LYS 68 1.098 19.300 -6.091 555 HB3 LYS 68 2HB LYS 68 -0.321 19.274 -7.110 556 HG2 LYS 68 1HG LYS 68 0.654 20.306 -8.876 557 HG3 LYS 68 2HG LYS 68 1.331 21.590 -7.896 558 HD2 LYS 68 1HD LYS 68 3.133 19.873 -7.089 559 HD3 LYS 68 2HD LYS 68 2.514 18.759 -8.265 560 HE2 LYS 68 1HE LYS 68 4.535 19.845 -9.091 561 HE3 LYS 68 2HE LYS 68 3.187 20.270 -10.148 562 HZ1 LYS 68 3HZ LYS 68 4.627 22.269 -9.434 563 HZ2 LYS 68 1HZ LYS 68 3.044 22.469 -9.045 564 HZ3 LYS 68 2HZ LYS 68 4.097 22.044 -7.873 565 H HIS 69 H HIS 69 0.166 20.075 -3.486 566 HA HIS 69 HA HIS 69 -2.759 19.545 -2.873 567 HB2 HIS 69 1HB HIS 69 -0.626 17.424 -3.438 568 HB3 HIS 69 2HB HIS 69 -1.587 17.127 -2.017 569 HD1 HIS 69 HD1 HIS 69 -3.590 15.667 -2.398 570 HD2 HIS 69 HD2 HIS 69 -2.233 17.612 -5.932 571 HE1 HIS 69 HE1 HIS 69 -5.091 14.995 -4.300 572 HE2 HIS 69 HE2 HIS 69 -4.262 16.003 -6.565 573 HA PRO 70 HA PRO 70 -1.552 21.208 0.902 574 HB2 PRO 70 1HB PRO 70 -3.351 20.255 2.833 575 HB3 PRO 70 2HB PRO 70 -3.770 21.290 1.454 576 HG2 PRO 70 1HG PRO 70 -3.923 18.194 1.526 577 HG3 PRO 70 2HG PRO 70 -5.241 19.333 1.128 578 HD2 PRO 70 1HD PRO 70 -3.777 18.230 -0.899 579 HD3 PRO 70 2HD PRO 70 -4.159 19.980 -0.976 580 H ASP 71 H ASP 71 -2.147 18.222 2.737 581 HA ASP 71 HA ASP 71 0.869 17.710 2.788 582 HB2 ASP 71 1HB ASP 71 -0.050 18.965 4.900 583 HB3 ASP 71 2HB ASP 71 -0.941 17.503 5.288 584 H GLU 72 H GLU 72 -1.095 16.502 1.164 585 HA GLU 72 HA GLU 72 -2.006 13.964 2.201 586 HB2 GLU 72 1HB GLU 72 -2.582 15.246 -0.117 587 HB3 GLU 72 2HB GLU 72 -1.279 14.316 -0.770 588 HG2 GLU 72 1HG GLU 72 -2.621 12.217 0.380 589 HG3 GLU 72 2HG GLU 72 -3.961 13.321 0.294 590 H LYS 73 H LYS 73 1.009 14.572 0.487 591 HA LYS 73 HA LYS 73 1.935 11.703 0.315 592 HB2 LYS 73 1HB LYS 73 2.260 13.297 -1.485 593 HB3 LYS 73 2HB LYS 73 3.153 14.418 -0.464 594 HG2 LYS 73 1HG LYS 73 4.084 11.570 -1.203 595 HG3 LYS 73 2HG LYS 73 4.373 13.009 -2.171 596 HD2 LYS 73 1HD LYS 73 5.259 13.759 0.466 597 HD3 LYS 73 2HD LYS 73 5.698 12.078 0.325 598 HE2 LYS 73 1HE LYS 73 6.449 14.216 -1.783 599 HE3 LYS 73 2HE LYS 73 7.441 13.861 -0.359 600 HZ1 LYS 73 3HZ LYS 73 7.886 11.623 -1.160 601 HZ2 LYS 73 1HZ LYS 73 6.627 11.662 -2.224 602 HZ3 LYS 73 2HZ LYS 73 7.994 12.556 -2.487 603 H PHE 74 H PHE 74 3.672 10.838 1.518 604 HA PHE 74 HA PHE 74 3.771 11.870 4.322 605 HB2 PHE 74 1HB PHE 74 3.732 9.327 3.476 606 HB3 PHE 74 2HB PHE 74 5.428 9.508 3.233 607 HD1 PHE 74 HD1 PHE 74 2.677 9.511 5.763 608 HD2 PHE 74 HD2 PHE 74 6.948 9.787 5.264 609 HE1 PHE 74 HE1 PHE 74 2.985 9.203 8.184 610 HE2 PHE 74 HE2 PHE 74 7.241 9.482 7.693 611 HZ PHE 74 HZ PHE 74 5.262 9.193 9.159 612 HA PRO 75 HA PRO 75 7.594 14.227 3.300 613 HB2 PRO 75 1HB PRO 75 8.251 15.307 5.759 614 HB3 PRO 75 2HB PRO 75 6.820 15.766 4.809 615 HG2 PRO 75 1HG PRO 75 6.926 13.722 7.111 616 HG3 PRO 75 2HG PRO 75 5.824 15.119 6.957 617 HD2 PRO 75 1HD PRO 75 5.059 12.578 6.177 618 HD3 PRO 75 2HD PRO 75 4.512 14.000 5.236 619 H ALA 76 H ALA 76 8.411 12.119 2.784 620 HA ALA 76 HA ALA 76 10.472 10.902 4.559 621 HB1 ALA 76 3HB ALA 76 9.501 10.123 1.724 622 HB2 ALA 76 1HB ALA 76 10.471 9.110 2.810 623 HB3 ALA 76 2HB ALA 76 8.810 9.548 3.261 624 H PHE 77 H PHE 77 12.561 10.966 4.392 625 HA PHE 77 HA PHE 77 13.961 12.533 2.187 626 HB2 PHE 77 1HB PHE 77 15.717 12.989 3.717 627 HB3 PHE 77 2HB PHE 77 14.249 13.277 4.578 628 HD1 PHE 77 HD2 PHE 77 13.532 11.631 6.443 629 HD2 PHE 77 HD1 PHE 77 17.286 11.178 4.371 630 HE1 PHE 77 HE2 PHE 77 14.338 10.104 8.206 631 HE2 PHE 77 HE1 PHE 77 18.065 9.646 6.118 632 HZ PHE 77 HZ PHE 77 16.599 9.105 8.050 633 HA PRO 78 HA PRO 78 15.844 8.617 0.739 634 HB2 PRO 78 1HB PRO 78 18.111 9.420 -0.573 635 HB3 PRO 78 2HB PRO 78 16.474 9.908 -1.078 636 HG2 PRO 78 1HG PRO 78 18.442 11.534 0.647 637 HG3 PRO 78 2HG PRO 78 17.602 12.075 -0.830 638 HD2 PRO 78 1HD PRO 78 16.637 12.598 1.732 639 HD3 PRO 78 2HD PRO 78 15.515 12.358 0.362 640 H GLY 79 H GLY 79 16.127 7.585 2.644 641 HA2 GLY 79 1HA GLY 79 18.995 7.288 3.716 642 HA3 GLY 79 2HA GLY 79 17.667 7.667 4.817 Start of MODEL 6 1 H1 PHE 1 1H PHE 1 -11.883 8.164 -2.124 2 H2 PHE 1 2H PHE 1 -10.805 8.156 -3.360 3 HA PHE 1 HA PHE 1 -12.225 10.062 -3.482 4 HB2 PHE 1 1HB PHE 1 -12.545 10.000 -0.921 5 HB3 PHE 1 2HB PHE 1 -10.993 10.788 -0.736 6 HD1 PHE 1 HD1 PHE 1 -14.284 11.205 -2.601 7 HD2 PHE 1 HD2 PHE 1 -11.084 13.199 -0.523 8 HE1 PHE 1 HE1 PHE 1 -15.425 13.373 -2.908 9 HE2 PHE 1 HE2 PHE 1 -12.236 15.354 -0.831 10 HZ PHE 1 HZ PHE 1 -14.399 15.450 -2.032 11 H ASN 2 H ASN 2 -11.362 12.445 -3.643 12 HA ASN 2 HA ASN 2 -8.948 12.236 -5.363 13 HB2 ASN 2 1HB ASN 2 -11.064 13.762 -5.772 14 HB3 ASN 2 2HB ASN 2 -10.271 14.930 -4.742 15 HD21 ASN 2 1HD2 ASN 2 -8.304 15.899 -5.633 16 HD22 ASN 2 2HD2 ASN 2 -7.867 15.594 -7.405 17 H VAL 3 H VAL 3 -9.560 13.947 -2.298 18 HA VAL 3 HA VAL 3 -6.531 14.027 -1.893 19 HB VAL 3 HB VAL 3 -7.583 16.225 -1.777 20 HG11 VAL 3 1HG1 VAL 3 -8.901 15.381 0.888 21 HG12 VAL 3 2HG1 VAL 3 -8.835 17.013 0.188 22 HG13 VAL 3 3HG1 VAL 3 -9.772 15.744 -0.609 23 HG21 VAL 3 3HG2 VAL 3 -6.254 15.328 0.866 24 HG22 VAL 3 1HG2 VAL 3 -5.405 15.721 -0.652 25 HG23 VAL 3 2HG2 VAL 3 -6.313 16.981 0.213 26 H LYS 4 H LYS 4 -5.829 12.299 -0.853 27 HA LYS 4 HA LYS 4 -7.369 11.291 1.578 28 HB2 LYS 4 1HB LYS 4 -8.209 10.055 -0.421 29 HB3 LYS 4 2HB LYS 4 -6.620 9.394 -0.742 30 HG2 LYS 4 1HG LYS 4 -7.859 9.010 2.060 31 HG3 LYS 4 2HG LYS 4 -8.595 8.158 0.716 32 HD2 LYS 4 1HD LYS 4 -6.557 6.913 0.189 33 HD3 LYS 4 2HD LYS 4 -5.562 7.951 1.181 34 HE2 LYS 4 1HE LYS 4 -5.805 5.875 2.346 35 HE3 LYS 4 2HE LYS 4 -6.564 7.145 3.286 36 HZ1 LYS 4 3HZ LYS 4 -7.946 5.012 3.076 37 HZ2 LYS 4 1HZ LYS 4 -8.773 6.348 2.595 38 HZ3 LYS 4 2HZ LYS 4 -8.164 5.322 1.472 39 H GLN 5 H GLN 5 -5.907 11.627 3.084 40 HA GLN 5 HA GLN 5 -3.096 11.362 2.998 41 HB2 GLN 5 1HB GLN 5 -5.151 11.175 5.297 42 HB3 GLN 5 2HB GLN 5 -3.455 10.959 5.633 43 HG2 GLN 5 1HG GLN 5 -3.919 13.214 6.086 44 HG3 GLN 5 2HG GLN 5 -2.841 13.151 4.710 45 HE21 GLN 5 1HE2 GLN 5 -3.425 15.301 4.262 46 HE22 GLN 5 2HE2 GLN 5 -5.098 15.719 3.599 47 H LYS 6 H LYS 6 -1.637 9.917 4.000 48 HA LYS 6 HA LYS 6 -1.948 7.481 2.492 49 HB2 LYS 6 1HB LYS 6 0.424 8.124 4.334 50 HB3 LYS 6 2HB LYS 6 0.422 6.989 3.009 51 HG2 LYS 6 1HG LYS 6 0.397 10.037 2.877 52 HG3 LYS 6 2HG LYS 6 1.629 8.891 2.402 53 HD2 LYS 6 1HD LYS 6 0.925 9.665 0.449 54 HD3 LYS 6 2HD LYS 6 0.248 8.103 0.506 55 HE2 LYS 6 1HE LYS 6 -2.044 8.891 0.741 56 HE3 LYS 6 2HE LYS 6 -1.564 10.471 1.264 57 HZ1 LYS 6 3HZ LYS 6 -1.059 11.122 -0.913 58 HZ2 LYS 6 1HZ LYS 6 -0.456 9.669 -1.365 59 HZ3 LYS 6 2HZ LYS 6 -2.106 9.956 -1.336 60 H SER 7 H SER 7 -1.377 5.333 3.015 61 HA SER 7 HA SER 7 -2.300 4.376 5.777 62 HB2 SER 7 1HB SER 7 -3.718 3.601 3.137 63 HB3 SER 7 2HB SER 7 -4.042 2.903 4.729 64 HG SER 7 HG SER 7 -4.069 5.625 4.819 65 H GLU 8 H GLU 8 -0.324 3.464 6.166 66 HA GLU 8 HA GLU 8 0.781 1.368 4.235 67 HB2 GLU 8 1HB GLU 8 2.204 2.701 6.606 68 HB3 GLU 8 2HB GLU 8 2.832 1.409 5.588 69 HG2 GLU 8 1HG GLU 8 2.361 3.062 3.538 70 HG3 GLU 8 2HG GLU 8 2.233 4.314 4.762 71 H ILE 9 H ILE 9 -0.075 -0.574 4.622 72 HA ILE 9 HA ILE 9 -0.663 -1.409 7.530 73 HB ILE 9 HB ILE 9 -2.264 -2.081 5.011 74 HG12 ILE 9 1HG1 ILE 9 -2.882 0.061 5.928 75 HG13 ILE 9 2HG1 ILE 9 -4.160 -1.111 6.125 76 HG21 ILE 9 1HG2 ILE 9 -2.536 -3.429 7.759 77 HG22 ILE 9 2HG2 ILE 9 -3.761 -3.483 6.458 78 HG23 ILE 9 3HG2 ILE 9 -2.156 -4.191 6.194 79 HD11 ILE 9 3HD1 ILE 9 -3.520 -1.343 8.618 80 HD12 ILE 9 1HD1 ILE 9 -2.312 -0.054 8.375 81 HD13 ILE 9 2HD1 ILE 9 -4.038 0.286 8.134 82 H THR 10 H THR 10 -0.121 -3.349 8.179 83 HA THR 10 HA THR 10 2.347 -4.491 7.018 84 HB THR 10 HB THR 10 0.664 -5.039 9.555 85 HG1 THR 10 HG1 THR 10 1.927 -3.041 9.133 86 HG21 THR 10 3HG2 THR 10 3.505 -6.120 9.044 87 HG22 THR 10 1HG2 THR 10 2.628 -6.105 10.587 88 HG23 THR 10 2HG2 THR 10 2.032 -7.107 9.258 89 H ALA 11 H ALA 11 2.749 -6.688 6.654 90 HA ALA 11 HA ALA 11 1.155 -7.788 4.693 91 HB1 ALA 11 3HB ALA 11 3.314 -9.276 6.315 92 HB2 ALA 11 1HB ALA 11 2.828 -9.612 4.637 93 HB3 ALA 11 2HB ALA 11 3.614 -8.091 5.021 94 H LEU 12 H LEU 12 -0.691 -8.673 4.691 95 HA LEU 12 HA LEU 12 -1.695 -10.616 6.812 96 HB2 LEU 12 1HB LEU 12 -2.953 -8.749 4.715 97 HB3 LEU 12 2HB LEU 12 -3.753 -10.253 4.907 98 HG LEU 12 HG LEU 12 -4.798 -8.521 6.175 99 HD11 LEU 12 1HD1 LEU 12 -5.127 -9.698 8.322 100 HD12 LEU 12 2HD1 LEU 12 -5.028 -10.870 6.987 101 HD13 LEU 12 3HD1 LEU 12 -3.640 -10.647 8.098 102 HD21 LEU 12 3HD2 LEU 12 -2.809 -7.109 6.818 103 HD22 LEU 12 1HD2 LEU 12 -3.868 -7.473 8.190 104 HD23 LEU 12 2HD2 LEU 12 -2.324 -8.330 8.009 105 H VAL 13 H VAL 13 -2.940 -12.369 5.821 106 HA VAL 13 HA VAL 13 -1.581 -14.168 3.936 107 HB VAL 13 HB VAL 13 -3.797 -15.379 3.878 108 HG11 VAL 13 1HG1 VAL 13 -2.750 -14.807 6.721 109 HG12 VAL 13 2HG1 VAL 13 -3.709 -16.211 6.212 110 HG13 VAL 13 3HG1 VAL 13 -2.075 -15.978 5.568 111 HG21 VAL 13 3HG2 VAL 13 -5.406 -13.469 4.250 112 HG22 VAL 13 1HG2 VAL 13 -5.648 -14.759 5.436 113 HG23 VAL 13 2HG2 VAL 13 -4.820 -13.278 5.913 114 H LYS 14 H LYS 14 -2.162 -14.736 1.842 115 HA LYS 14 HA LYS 14 -3.079 -12.503 0.045 116 HB2 LYS 14 1HB LYS 14 -1.174 -13.815 -0.504 117 HB3 LYS 14 2HB LYS 14 -1.999 -15.343 -0.435 118 HG2 LYS 14 1HG LYS 14 -2.746 -13.157 -2.484 119 HG3 LYS 14 2HG LYS 14 -1.378 -14.231 -2.732 120 HD2 LYS 14 1HD LYS 14 -2.790 -16.254 -2.720 121 HD3 LYS 14 2HD LYS 14 -4.194 -15.356 -2.190 122 HE2 LYS 14 1HE LYS 14 -3.859 -13.921 -4.447 123 HE3 LYS 14 2HE LYS 14 -2.819 -15.260 -4.953 124 HZ1 LYS 14 3HZ LYS 14 -5.675 -15.538 -3.953 125 HZ2 LYS 14 1HZ LYS 14 -5.265 -15.632 -5.552 126 HZ3 LYS 14 2HZ LYS 14 -4.769 -16.803 -4.496 127 H GLU 15 H GLU 15 -4.963 -12.420 -1.074 128 HA GLU 15 HA GLU 15 -7.292 -13.476 0.092 129 HB2 GLU 15 1HB GLU 15 -7.204 -12.286 -2.740 130 HB3 GLU 15 2HB GLU 15 -8.581 -12.396 -1.661 131 HG2 GLU 15 1HG GLU 15 -6.131 -10.570 -1.371 132 HG3 GLU 15 2HG GLU 15 -7.798 -10.128 -1.673 133 H VAL 16 H VAL 16 -8.353 -15.290 -0.065 134 HA VAL 16 HA VAL 16 -8.100 -17.145 -2.513 135 HB VAL 16 HB VAL 16 -8.168 -18.024 0.449 136 HG11 VAL 16 1HG1 VAL 16 -7.785 -19.753 -2.102 137 HG12 VAL 16 2HG1 VAL 16 -7.717 -20.315 -0.414 138 HG13 VAL 16 3HG1 VAL 16 -9.235 -19.728 -1.074 139 HG21 VAL 16 3HG2 VAL 16 -5.785 -18.269 -1.530 140 HG22 VAL 16 1HG2 VAL 16 -5.859 -17.125 -0.177 141 HG23 VAL 16 2HG2 VAL 16 -5.854 -18.857 0.154 142 H THR 17 H THR 17 -10.046 -17.701 -3.355 143 HA THR 17 HA THR 17 -12.584 -16.855 -2.081 144 HB THR 17 HB THR 17 -12.214 -18.485 -4.662 145 HG1 THR 17 HG1 THR 17 -12.675 -15.725 -4.358 146 HG21 THR 17 3HG2 THR 17 -14.580 -16.734 -3.672 147 HG22 THR 17 1HG2 THR 17 -14.425 -17.479 -5.286 148 HG23 THR 17 2HG2 THR 17 -14.627 -18.489 -3.839 149 HA PRO 18 HA PRO 18 -13.540 -21.512 -1.087 150 HB2 PRO 18 1HB PRO 18 -11.607 -23.514 -1.352 151 HB3 PRO 18 2HB PRO 18 -12.698 -22.999 -2.655 152 HG2 PRO 18 1HG PRO 18 -9.814 -22.057 -2.146 153 HG3 PRO 18 2HG PRO 18 -10.472 -22.707 -3.668 154 HD2 PRO 18 1HD PRO 18 -10.272 -19.992 -3.188 155 HD3 PRO 18 2HD PRO 18 -11.636 -20.608 -4.133 156 HA PRO 19 HA PRO 19 -11.917 -20.854 2.975 157 HB2 PRO 19 1HB PRO 19 -12.608 -23.050 4.503 158 HB3 PRO 19 2HB PRO 19 -13.768 -21.967 3.711 159 HG2 PRO 19 1HG PRO 19 -12.699 -24.632 2.576 160 HG3 PRO 19 2HG PRO 19 -14.408 -24.189 2.836 161 HD2 PRO 19 1HD PRO 19 -13.243 -23.835 0.374 162 HD3 PRO 19 2HD PRO 19 -14.343 -22.567 0.997 163 H ARG 20 H ARG 20 -9.813 -20.880 1.909 164 HA ARG 20 HA ARG 20 -7.755 -22.424 3.542 165 HB2 ARG 20 1HB ARG 20 -8.419 -22.484 0.583 166 HB3 ARG 20 2HB ARG 20 -6.741 -22.128 0.835 167 HG2 ARG 20 1HG ARG 20 -6.324 -24.152 2.097 168 HG3 ARG 20 2HG ARG 20 -8.052 -24.440 2.367 169 HD2 ARG 20 1HD ARG 20 -8.391 -24.782 -0.137 170 HD3 ARG 20 2HD ARG 20 -6.625 -24.649 -0.378 171 HE ARG 20 HE ARG 20 -7.038 -26.637 1.702 172 HH11 ARG 20 2HH2 ARG 20 -7.785 -26.341 -1.684 173 HH12 ARG 20 1HH2 ARG 20 -7.885 -28.154 -1.888 174 HH21 ARG 20 2HH1 ARG 20 -7.157 -28.687 1.428 175 HH22 ARG 20 1HH1 ARG 20 -7.540 -29.394 -0.201 176 H LYS 21 H LYS 21 -5.553 -21.613 3.313 177 HA LYS 21 HA LYS 21 -5.480 -18.568 3.162 178 HB2 LYS 21 1HB LYS 21 -4.544 -20.330 5.505 179 HB3 LYS 21 2HB LYS 21 -4.054 -18.659 5.341 180 HG2 LYS 21 1HG LYS 21 -7.019 -19.537 5.489 181 HG3 LYS 21 2HG LYS 21 -6.057 -19.151 6.888 182 HD2 LYS 21 1HD LYS 21 -6.096 -16.921 6.606 183 HD3 LYS 21 2HD LYS 21 -5.820 -16.943 4.889 184 HE2 LYS 21 1HE LYS 21 -8.594 -17.726 6.031 185 HE3 LYS 21 2HE LYS 21 -8.113 -16.040 5.932 186 HZ1 LYS 21 3HZ LYS 21 -8.022 -17.846 3.492 187 HZ2 LYS 21 1HZ LYS 21 -9.302 -16.875 3.840 188 HZ3 LYS 21 2HZ LYS 21 -7.837 -16.218 3.509 189 H ALA 22 H ALA 22 -3.969 -17.889 1.881 190 HA ALA 22 HA ALA 22 -1.547 -19.621 1.243 191 HB1 ALA 22 3HB ALA 22 -2.905 -17.319 -0.270 192 HB2 ALA 22 1HB ALA 22 -1.438 -18.173 -0.815 193 HB3 ALA 22 2HB ALA 22 -2.969 -19.052 -0.629 194 HA PRO 23 HA PRO 23 0.516 -16.311 3.792 195 HB2 PRO 23 1HB PRO 23 2.802 -17.624 4.545 196 HB3 PRO 23 2HB PRO 23 1.182 -18.100 5.112 197 HG2 PRO 23 1HG PRO 23 2.755 -19.332 2.758 198 HG3 PRO 23 2HG PRO 23 2.046 -20.200 4.147 199 HD2 PRO 23 1HD PRO 23 0.705 -19.940 1.724 200 HD3 PRO 23 2HD PRO 23 -0.195 -19.950 3.274 201 H SER 24 H SER 24 0.568 -15.063 1.809 202 HA SER 24 HA SER 24 3.283 -14.881 0.426 203 HB2 SER 24 1HB SER 24 0.785 -15.040 -0.717 204 HB3 SER 24 2HB SER 24 0.961 -13.282 -0.635 205 HG SER 24 HG SER 24 2.606 -15.214 -1.894 206 H LYS 25 H LYS 25 3.875 -12.633 -0.306 207 HA LYS 25 HA LYS 25 4.198 -10.930 2.199 208 HB2 LYS 25 1HB LYS 25 5.705 -11.055 -0.470 209 HB3 LYS 25 2HB LYS 25 5.753 -9.599 0.474 210 HG2 LYS 25 1HG LYS 25 7.670 -10.812 1.054 211 HG3 LYS 25 2HG LYS 25 6.644 -10.736 2.463 212 HD2 LYS 25 1HD LYS 25 6.113 -13.263 0.961 213 HD3 LYS 25 2HD LYS 25 7.834 -13.031 1.096 214 HE2 LYS 25 1HE LYS 25 7.648 -12.781 3.617 215 HE3 LYS 25 2HE LYS 25 5.885 -12.930 3.519 216 HZ1 LYS 25 3HZ LYS 25 7.057 -15.125 4.004 217 HZ2 LYS 25 1HZ LYS 25 6.136 -15.220 2.645 218 HZ3 LYS 25 2HZ LYS 25 7.767 -15.078 2.523 219 H ALA 26 H ALA 26 2.436 -9.749 2.529 220 HA ALA 26 HA ALA 26 1.081 -8.268 0.246 221 HB1 ALA 26 3HB ALA 26 -0.765 -7.906 1.902 222 HB2 ALA 26 1HB ALA 26 -0.418 -9.639 1.702 223 HB3 ALA 26 2HB ALA 26 0.164 -8.806 3.114 224 H LYS 27 H LYS 27 1.517 -6.218 -0.041 225 HA LYS 27 HA LYS 27 2.104 -4.423 2.367 226 HB2 LYS 27 1HB LYS 27 3.883 -4.770 -0.117 227 HB3 LYS 27 2HB LYS 27 3.816 -3.248 0.674 228 HG2 LYS 27 1HG LYS 27 5.391 -3.951 2.102 229 HG3 LYS 27 2HG LYS 27 4.144 -4.790 2.948 230 HD2 LYS 27 1HD LYS 27 4.682 -6.757 1.114 231 HD3 LYS 27 2HD LYS 27 6.201 -5.905 0.957 232 HE2 LYS 27 1HE LYS 27 4.947 -7.027 3.570 233 HE3 LYS 27 2HE LYS 27 6.181 -7.853 2.632 234 HZ1 LYS 27 3HZ LYS 27 7.741 -5.927 3.111 235 HZ2 LYS 27 1HZ LYS 27 6.578 -5.166 3.963 236 HZ3 LYS 27 2HZ LYS 27 7.210 -6.570 4.533 237 H ARG 28 H ARG 28 0.840 -2.806 2.476 238 HA ARG 28 HA ARG 28 -0.861 -1.947 0.055 239 HB2 ARG 28 1HB ARG 28 -1.549 -2.144 3.066 240 HB3 ARG 28 2HB ARG 28 -2.584 -1.364 1.877 241 HG2 ARG 28 1HG ARG 28 -2.910 -3.500 0.673 242 HG3 ARG 28 2HG ARG 28 -1.828 -4.363 1.745 243 HD2 ARG 28 1HD ARG 28 -3.338 -4.144 3.672 244 HD3 ARG 28 2HD ARG 28 -4.253 -2.870 2.916 245 HE ARG 28 HE ARG 28 -5.453 -4.423 1.486 246 HH11 ARG 28 2HH2 ARG 28 -3.098 -6.150 3.365 247 HH12 ARG 28 1HH2 ARG 28 -3.931 -7.752 3.020 248 HH21 ARG 28 2HH1 ARG 28 -6.374 -6.246 1.169 249 HH22 ARG 28 1HH1 ARG 28 -5.688 -7.792 1.815 250 H GLU 29 H GLU 29 -0.039 0.012 -0.479 251 HA GLU 29 HA GLU 29 0.561 2.059 1.689 252 HB2 GLU 29 1HB GLU 29 2.633 1.594 -0.548 253 HB3 GLU 29 2HB GLU 29 2.636 2.838 0.685 254 HG2 GLU 29 1HG GLU 29 4.175 1.389 1.597 255 HG3 GLU 29 2HG GLU 29 2.757 0.907 2.467 256 H ALA 30 H ALA 30 -0.000 3.996 1.153 257 HA ALA 30 HA ALA 30 -0.916 4.765 -1.633 258 HB1 ALA 30 3HB ALA 30 -0.972 6.135 1.104 259 HB2 ALA 30 1HB ALA 30 -1.506 6.941 -0.343 260 HB3 ALA 30 2HB ALA 30 -2.352 5.472 0.186 261 HA PRO 31 HA PRO 31 2.955 7.326 -2.019 262 HB2 PRO 31 1HB PRO 31 3.499 7.023 -4.632 263 HB3 PRO 31 2HB PRO 31 3.662 5.689 -3.493 264 HG2 PRO 31 1HG PRO 31 1.274 6.226 -5.377 265 HG3 PRO 31 2HG PRO 31 2.188 4.706 -5.214 266 HD2 PRO 31 1HD PRO 31 -0.200 5.263 -3.811 267 HD3 PRO 31 2HD PRO 31 1.047 4.141 -3.191 268 H ILE 32 H ILE 32 1.864 8.274 -5.076 269 HA ILE 32 HA ILE 32 0.832 10.901 -3.887 270 HB ILE 32 HB ILE 32 1.875 12.051 -5.903 271 HG12 ILE 32 1HG1 ILE 32 3.723 9.601 -6.039 272 HG13 ILE 32 2HG1 ILE 32 2.466 9.884 -7.219 273 HG21 ILE 32 1HG2 ILE 32 2.680 12.122 -3.505 274 HG22 ILE 32 2HG2 ILE 32 3.861 10.829 -3.892 275 HG23 ILE 32 3HG2 ILE 32 3.946 12.418 -4.676 276 HD11 ILE 32 3HD1 ILE 32 4.630 12.030 -6.707 277 HD12 ILE 32 1HD1 ILE 32 4.888 10.689 -7.805 278 HD13 ILE 32 2HD1 ILE 32 3.590 11.884 -8.098 279 H LYS 33 H LYS 33 -0.962 11.709 -4.621 280 HA LYS 33 HA LYS 33 -2.674 10.474 -6.690 281 HB2 LYS 33 1HB LYS 33 -3.488 11.727 -4.658 282 HB3 LYS 33 2HB LYS 33 -2.798 13.207 -5.267 283 HG2 LYS 33 1HG LYS 33 -5.141 13.293 -5.627 284 HG3 LYS 33 2HG LYS 33 -4.380 13.238 -7.194 285 HD2 LYS 33 1HD LYS 33 -6.331 11.940 -7.282 286 HD3 LYS 33 2HD LYS 33 -4.994 10.823 -7.469 287 HE2 LYS 33 1HE LYS 33 -5.305 9.783 -5.356 288 HE3 LYS 33 2HE LYS 33 -6.061 11.182 -4.617 289 HZ1 LYS 33 3HZ LYS 33 -7.367 9.343 -6.638 290 HZ2 LYS 33 1HZ LYS 33 -7.941 9.776 -5.095 291 HZ3 LYS 33 2HZ LYS 33 -7.950 10.822 -6.336 292 H TYR 34 H TYR 34 -0.230 12.843 -6.891 293 HA TYR 34 HA TYR 34 -0.941 14.120 -9.486 294 HB2 TYR 34 1HB TYR 34 0.680 14.971 -7.628 295 HB3 TYR 34 2HB TYR 34 1.853 13.807 -8.206 296 HD1 TYR 34 HD1 TYR 34 -0.199 16.802 -9.190 297 HD2 TYR 34 HD2 TYR 34 3.239 14.394 -10.160 298 HE1 TYR 34 HE1 TYR 34 0.575 18.526 -10.758 299 HE2 TYR 34 HE2 TYR 34 4.020 16.137 -11.698 300 HH TYR 34 HH TYR 34 3.417 18.047 -12.775 301 H TRP 35 H TRP 35 1.062 11.288 -8.727 302 HA TRP 35 HA TRP 35 1.599 10.734 -11.678 303 HB2 TRP 35 1HB TRP 35 3.357 10.408 -9.799 304 HB3 TRP 35 2HB TRP 35 2.441 9.004 -9.266 305 HD1 TRP 35 HD1 TRP 35 2.630 6.740 -10.925 306 HE1 TRP 35 HE1 TRP 35 4.471 5.956 -12.632 307 HE3 TRP 35 HE3 TRP 35 4.830 11.332 -11.613 308 HZ2 TRP 35 HZ2 TRP 35 6.594 7.279 -13.983 309 HZ3 TRP 35 HZ3 TRP 35 6.810 11.482 -13.104 310 HH2 TRP 35 HH2 TRP 35 7.673 9.501 -14.264 311 H LEU 36 H LEU 36 -0.268 9.242 -8.945 312 HA LEU 36 HA LEU 36 -1.604 7.395 -11.002 313 HB2 LEU 36 1HB LEU 36 -1.242 6.904 -7.977 314 HB3 LEU 36 2HB LEU 36 -2.021 5.811 -9.117 315 HG LEU 36 HG LEU 36 0.972 6.572 -9.125 316 HD11 LEU 36 1HD1 LEU 36 0.247 5.179 -7.165 317 HD12 LEU 36 2HD1 LEU 36 -0.431 3.954 -8.256 318 HD13 LEU 36 3HD1 LEU 36 1.322 4.280 -8.249 319 HD21 LEU 36 3HD2 LEU 36 1.220 4.668 -10.769 320 HD22 LEU 36 1HD2 LEU 36 -0.550 4.485 -10.856 321 HD23 LEU 36 2HD2 LEU 36 0.234 5.972 -11.448 322 HA PRO 37 HA PRO 37 -5.310 9.724 -9.574 323 HB2 PRO 37 1HB PRO 37 -7.359 8.315 -10.813 324 HB3 PRO 37 2HB PRO 37 -6.204 9.357 -11.658 325 HG2 PRO 37 1HG PRO 37 -6.001 6.301 -11.310 326 HG3 PRO 37 2HG PRO 37 -5.925 7.217 -12.836 327 HD2 PRO 37 1HD PRO 37 -3.622 6.452 -11.524 328 HD3 PRO 37 2HD PRO 37 -3.692 8.047 -12.339 329 H HIS 38 H HIS 38 -4.512 6.775 -8.336 330 HA HIS 38 HA HIS 38 -6.410 7.140 -5.973 331 HB2 HIS 38 1HB HIS 38 -7.164 5.338 -7.710 332 HB3 HIS 38 2HB HIS 38 -5.702 4.449 -7.367 333 HD1 HIS 38 HD1 HIS 38 -5.645 2.983 -5.058 334 HD2 HIS 38 HD2 HIS 38 -9.137 5.417 -5.722 335 HE1 HIS 38 HE1 HIS 38 -7.532 2.240 -3.491 336 HE2 HIS 38 HE2 HIS 38 -9.696 3.632 -3.816 337 H SER 39 H SER 39 -4.996 7.589 -4.309 338 HA SER 39 HA SER 39 -2.274 6.279 -4.194 339 HB2 SER 39 1HB SER 39 -1.738 7.662 -2.381 340 HB3 SER 39 2HB SER 39 -2.478 8.682 -3.607 341 HG SER 39 HG SER 39 -4.083 7.547 -1.573 342 H GLY 40 H GLY 40 -2.503 4.218 -3.720 343 HA2 GLY 40 1HA GLY 40 -2.596 2.951 -1.298 344 HA3 GLY 40 2HA GLY 40 -4.328 3.148 -1.522 345 H ALA 41 H ALA 41 -1.469 1.576 -2.656 346 HA ALA 41 HA ALA 41 -3.109 -0.197 -4.577 347 HB1 ALA 41 3HB ALA 41 -0.995 -0.481 -5.877 348 HB2 ALA 41 1HB ALA 41 -1.543 1.200 -5.808 349 HB3 ALA 41 2HB ALA 41 -0.162 0.678 -4.817 350 H THR 42 H THR 42 -3.506 -2.029 -3.596 351 HA THR 42 HA THR 42 -1.688 -3.306 -1.591 352 HB THR 42 HB THR 42 -4.036 -3.314 -1.183 353 HG1 THR 42 HG1 THR 42 -3.293 -5.968 -1.762 354 HG21 THR 42 3HG2 THR 42 -5.672 -4.761 -2.249 355 HG22 THR 42 1HG2 THR 42 -5.107 -3.603 -3.461 356 HG23 THR 42 2HG2 THR 42 -4.541 -5.277 -3.511 357 H TRP 43 H TRP 43 0.108 -4.310 -2.279 358 HA TRP 43 HA TRP 43 -0.107 -6.176 -4.710 359 HB2 TRP 43 1HB TRP 43 1.745 -4.396 -4.693 360 HB3 TRP 43 2HB TRP 43 2.559 -5.360 -3.454 361 HD1 TRP 43 HD1 TRP 43 2.062 -8.422 -4.725 362 HE1 TRP 43 HE1 TRP 43 3.029 -9.216 -7.028 363 HE3 TRP 43 HE3 TRP 43 3.039 -3.757 -6.663 364 HZ2 TRP 43 HZ2 TRP 43 4.383 -7.907 -9.129 365 HZ3 TRP 43 HZ3 TRP 43 4.319 -3.625 -8.795 366 HH2 TRP 43 HH2 TRP 43 4.999 -5.665 -9.983 367 H SER 44 H SER 44 -0.876 -8.040 -3.919 368 HA SER 44 HA SER 44 0.324 -9.323 -1.397 369 HB2 SER 44 1HB SER 44 -2.266 -9.981 -2.907 370 HB3 SER 44 2HB SER 44 -1.607 -10.911 -1.553 371 HG SER 44 HG SER 44 -3.123 -9.318 -0.891 372 H GLY 45 H GLY 45 2.282 -9.969 -2.250 373 HA2 GLY 45 1HA GLY 45 2.655 -12.567 -3.291 374 HA3 GLY 45 2HA GLY 45 2.446 -11.676 -4.758 375 H ARG 46 H ARG 46 3.949 -9.935 -5.142 376 HA ARG 46 HA ARG 46 6.796 -10.622 -4.362 377 HB2 ARG 46 1HB ARG 46 6.405 -10.419 -6.673 378 HB3 ARG 46 2HB ARG 46 5.495 -8.946 -6.572 379 HG2 ARG 46 1HG ARG 46 8.506 -8.973 -5.922 380 HG3 ARG 46 2HG ARG 46 7.859 -8.948 -7.555 381 HD2 ARG 46 1HD ARG 46 6.471 -6.852 -6.920 382 HD3 ARG 46 2HD ARG 46 7.337 -6.764 -5.416 383 HE ARG 46 HE ARG 46 8.488 -6.404 -8.232 384 HH11 ARG 46 2HH2 ARG 46 9.161 -6.260 -4.800 385 HH12 ARG 46 1HH2 ARG 46 10.722 -5.378 -5.094 386 HH21 ARG 46 2HH1 ARG 46 10.261 -5.398 -8.501 387 HH22 ARG 46 1HH1 ARG 46 11.299 -4.925 -7.088 388 H GLY 47 H GLY 47 8.107 -9.232 -3.295 389 HA2 GLY 47 1HA GLY 47 6.885 -7.516 -1.210 390 HA3 GLY 47 2HA GLY 47 8.598 -7.771 -1.437 391 H LYS 48 H LYS 48 5.929 -6.061 -2.916 392 HA LYS 48 HA LYS 48 7.629 -3.742 -3.812 393 HB2 LYS 48 1HB LYS 48 5.938 -4.336 -5.271 394 HB3 LYS 48 2HB LYS 48 4.702 -4.554 -4.072 395 HG2 LYS 48 1HG LYS 48 5.789 -1.736 -4.743 396 HG3 LYS 48 2HG LYS 48 4.559 -2.534 -5.688 397 HD2 LYS 48 1HD LYS 48 3.394 -2.918 -3.215 398 HD3 LYS 48 2HD LYS 48 4.450 -1.585 -2.788 399 HE2 LYS 48 1HE LYS 48 3.338 -0.231 -4.726 400 HE3 LYS 48 2HE LYS 48 2.195 -1.572 -4.904 401 HZ1 LYS 48 3HZ LYS 48 2.575 -0.767 -2.103 402 HZ2 LYS 48 1HZ LYS 48 1.923 0.450 -2.979 403 HZ3 LYS 48 2HZ LYS 48 1.152 -1.000 -2.876 404 H ILE 49 H ILE 49 8.294 -2.206 -2.414 405 HA ILE 49 HA ILE 49 6.191 -0.938 -0.593 406 HB ILE 49 HB ILE 49 9.188 -1.117 0.152 407 HG12 ILE 49 1HG1 ILE 49 7.990 -2.349 2.288 408 HG13 ILE 49 2HG1 ILE 49 6.788 -2.770 1.081 409 HG21 ILE 49 1HG2 ILE 49 6.736 -0.027 1.736 410 HG22 ILE 49 2HG2 ILE 49 8.419 -0.070 2.320 411 HG23 ILE 49 3HG2 ILE 49 7.981 0.984 0.972 412 HD11 ILE 49 3HD1 ILE 49 8.507 -4.570 1.371 413 HD12 ILE 49 1HD1 ILE 49 8.647 -3.940 -0.274 414 HD13 ILE 49 2HD1 ILE 49 9.817 -3.441 0.963 415 HA PRO 50 HA PRO 50 7.954 2.343 -3.443 416 HB2 PRO 50 1HB PRO 50 5.999 4.272 -3.239 417 HB3 PRO 50 2HB PRO 50 5.678 2.693 -3.990 418 HG2 PRO 50 1HG PRO 50 5.082 3.531 -1.078 419 HG3 PRO 50 2HG PRO 50 3.932 2.828 -2.243 420 HD2 PRO 50 1HD PRO 50 5.359 1.290 -0.366 421 HD3 PRO 50 2HD PRO 50 4.857 0.615 -1.940 422 H LYS 51 H LYS 51 9.223 2.012 -1.133 423 HA LYS 51 HA LYS 51 9.535 4.613 0.312 424 HB2 LYS 51 1HB LYS 51 10.184 1.965 1.061 425 HB3 LYS 51 2HB LYS 51 11.748 2.611 0.687 426 HG2 LYS 51 1HG LYS 51 11.591 3.099 2.912 427 HG3 LYS 51 2HG LYS 51 11.139 4.653 2.258 428 HD2 LYS 51 1HD LYS 51 9.197 2.450 3.274 429 HD3 LYS 51 2HD LYS 51 9.811 3.779 4.237 430 HE2 LYS 51 1HE LYS 51 8.651 5.433 2.573 431 HE3 LYS 51 2HE LYS 51 7.915 4.023 1.796 432 HZ1 LYS 51 3HZ LYS 51 7.530 4.741 4.721 433 HZ2 LYS 51 1HZ LYS 51 6.394 4.850 3.562 434 HZ3 LYS 51 2HZ LYS 51 6.899 3.415 4.020 435 HA PRO 52 HA PRO 52 13.385 5.555 -2.375 436 HB2 PRO 52 1HB PRO 52 13.947 4.152 -4.695 437 HB3 PRO 52 2HB PRO 52 14.560 3.696 -3.097 438 HG2 PRO 52 1HG PRO 52 12.070 2.559 -4.508 439 HG3 PRO 52 2HG PRO 52 13.420 1.638 -3.803 440 HD2 PRO 52 1HD PRO 52 11.080 2.077 -2.413 441 HD3 PRO 52 2HD PRO 52 12.640 2.049 -1.543 442 H PHE 53 H PHE 53 10.308 4.648 -3.698 443 HA PHE 53 HA PHE 53 10.321 6.775 -5.842 444 HB2 PHE 53 1HB PHE 53 9.072 4.715 -6.284 445 HB3 PHE 53 2HB PHE 53 8.059 4.943 -4.874 446 HD1 PHE 53 HD2 PHE 53 9.038 6.654 -8.132 447 HD2 PHE 53 HD1 PHE 53 6.077 6.332 -5.035 448 HE1 PHE 53 HE2 PHE 53 7.431 7.909 -9.535 449 HE2 PHE 53 HE1 PHE 53 4.485 7.601 -6.435 450 HZ PHE 53 HZ PHE 53 5.152 8.362 -8.702 451 H GLU 54 H GLU 54 8.408 6.320 -2.762 452 HA GLU 54 HA GLU 54 7.523 9.134 -2.765 453 HB2 GLU 54 1HB GLU 54 6.333 7.211 -1.618 454 HB3 GLU 54 2HB GLU 54 7.588 7.182 -0.382 455 HG2 GLU 54 1HG GLU 54 6.981 9.589 0.244 456 HG3 GLU 54 2HG GLU 54 5.772 9.611 -1.038 457 H ALA 55 H ALA 55 10.480 7.708 -1.631 458 HA ALA 55 HA ALA 55 11.436 10.063 -0.040 459 HB1 ALA 55 3HB ALA 55 13.659 8.902 -0.174 460 HB2 ALA 55 1HB ALA 55 12.397 7.854 0.482 461 HB3 ALA 55 2HB ALA 55 12.959 7.638 -1.195 462 H TRP 56 H TRP 56 12.130 8.846 -3.426 463 HA TRP 56 HA TRP 56 13.691 11.328 -4.020 464 HB2 TRP 56 1HB TRP 56 13.784 8.883 -5.218 465 HB3 TRP 56 2HB TRP 56 12.609 9.599 -6.302 466 HD1 TRP 56 HD1 TRP 56 13.759 12.534 -6.962 467 HE1 TRP 56 HE1 TRP 56 16.131 13.050 -7.951 468 HE3 TRP 56 HE3 TRP 56 15.965 8.047 -5.699 469 HZ2 TRP 56 HZ2 TRP 56 18.562 11.596 -8.109 470 HZ3 TRP 56 HZ3 TRP 56 18.336 7.689 -6.336 471 HH2 TRP 56 HH2 TRP 56 19.608 9.424 -7.511 472 H ILE 57 H ILE 57 10.331 10.290 -4.613 473 HA ILE 57 HA ILE 57 9.476 12.963 -5.686 474 HB ILE 57 HB ILE 57 7.988 10.522 -4.571 475 HG12 ILE 57 1HG1 ILE 57 8.964 10.082 -6.743 476 HG13 ILE 57 2HG1 ILE 57 7.226 10.073 -6.769 477 HG21 ILE 57 1HG2 ILE 57 6.446 12.813 -5.819 478 HG22 ILE 57 2HG2 ILE 57 5.900 11.262 -5.089 479 HG23 ILE 57 3HG2 ILE 57 6.557 12.538 -4.091 480 HD11 ILE 57 3HD1 ILE 57 7.216 12.356 -7.915 481 HD12 ILE 57 1HD1 ILE 57 8.994 12.369 -7.867 482 HD13 ILE 57 2HD1 ILE 57 8.135 11.132 -8.810 483 H GLY 58 H GLY 58 10.720 12.358 -2.696 484 HA2 GLY 58 1HA GLY 58 9.418 14.940 -1.680 485 HA3 GLY 58 2HA GLY 58 9.937 13.704 -0.552 486 H THR 59 H THR 59 12.543 13.226 -1.987 487 HA THR 59 HA THR 59 14.275 14.798 -0.543 488 HB THR 59 HB THR 59 14.924 13.932 -3.439 489 HG1 THR 59 HG1 THR 59 15.668 12.045 -2.382 490 HG21 THR 59 3HG2 THR 59 16.819 15.254 -2.340 491 HG22 THR 59 1HG2 THR 59 16.783 14.133 -0.966 492 HG23 THR 59 2HG2 THR 59 17.244 13.557 -2.584 493 H ALA 60 H ALA 60 13.216 15.751 -3.692 494 HA ALA 60 HA ALA 60 13.780 18.674 -3.070 495 HB1 ALA 60 3HB ALA 60 15.588 17.990 -4.689 496 HB2 ALA 60 1HB ALA 60 14.368 17.448 -5.862 497 HB3 ALA 60 2HB ALA 60 14.495 19.170 -5.433 498 H ALA 61 H ALA 61 11.775 16.377 -4.851 499 HA ALA 61 HA ALA 61 9.900 18.249 -6.013 500 HB1 ALA 61 3HB ALA 61 10.080 15.927 -6.770 501 HB2 ALA 61 1HB ALA 61 9.612 15.320 -5.174 502 HB3 ALA 61 2HB ALA 61 8.421 16.167 -6.173 503 H TYR 62 H TYR 62 9.958 17.159 -2.733 504 HA TYR 62 HA TYR 62 7.229 17.611 -1.888 505 HB2 TYR 62 1HB TYR 62 9.152 16.689 -0.450 506 HB3 TYR 62 2HB TYR 62 9.742 18.316 -0.263 507 HD1 TYR 62 HD1 TYR 62 6.325 16.584 0.046 508 HD2 TYR 62 HD2 TYR 62 9.256 19.125 1.918 509 HE1 TYR 62 HE1 TYR 62 4.951 16.680 2.089 510 HE2 TYR 62 HE2 TYR 62 7.867 19.213 3.948 511 HH TYR 62 HH TYR 62 4.737 17.546 4.174 512 H THR 63 H THR 63 9.721 20.147 -2.309 513 HA THR 63 HA THR 63 7.938 22.316 -1.349 514 HB THR 63 HB THR 63 10.373 22.533 -1.289 515 HG1 THR 63 HG1 THR 63 10.175 24.753 -2.338 516 HG21 THR 63 3HG2 THR 63 11.679 23.370 -3.176 517 HG22 THR 63 1HG2 THR 63 11.056 21.778 -3.608 518 HG23 THR 63 2HG2 THR 63 10.311 23.227 -4.300 519 H ALA 64 H ALA 64 8.215 20.806 -4.470 520 HA ALA 64 HA ALA 64 6.368 22.824 -5.805 521 HB1 ALA 64 3HB ALA 64 6.598 21.326 -7.805 522 HB2 ALA 64 1HB ALA 64 8.187 21.803 -7.188 523 HB3 ALA 64 2HB ALA 64 7.560 20.173 -6.860 524 H TRP 65 H TRP 65 6.329 19.489 -4.588 525 HA TRP 65 HA TRP 65 3.552 18.849 -5.189 526 HB2 TRP 65 1HB TRP 65 5.763 17.440 -4.202 527 HB3 TRP 65 2HB TRP 65 4.850 17.635 -2.720 528 HD1 TRP 65 HD1 TRP 65 4.752 15.951 -6.223 529 HE1 TRP 65 HE1 TRP 65 2.805 14.227 -6.479 530 HE3 TRP 65 HE3 TRP 65 2.371 17.059 -1.797 531 HZ2 TRP 65 HZ2 TRP 65 0.490 13.616 -4.912 532 HZ3 TRP 65 HZ3 TRP 65 0.254 15.877 -1.267 533 HH2 TRP 65 HH2 TRP 65 -0.652 14.164 -2.810 534 H LYS 66 H LYS 66 4.900 20.330 -2.285 535 HA LYS 66 HA LYS 66 2.404 20.534 -0.725 536 HB2 LYS 66 1HB LYS 66 5.087 22.041 -0.662 537 HB3 LYS 66 2HB LYS 66 3.794 22.482 0.425 538 HG2 LYS 66 1HG LYS 66 4.721 19.551 0.260 539 HG3 LYS 66 2HG LYS 66 5.669 20.683 1.155 540 HD2 LYS 66 1HD LYS 66 2.648 20.195 1.669 541 HD3 LYS 66 2HD LYS 66 3.927 19.297 2.441 542 HE2 LYS 66 1HE LYS 66 4.900 21.509 3.379 543 HE3 LYS 66 2HE LYS 66 3.514 22.361 2.684 544 HZ1 LYS 66 3HZ LYS 66 3.322 20.097 4.703 545 HZ2 LYS 66 1HZ LYS 66 2.953 21.655 5.036 546 HZ3 LYS 66 2HZ LYS 66 2.045 20.736 4.031 547 H ALA 67 H ALA 67 3.650 22.649 -3.264 548 HA ALA 67 HA ALA 67 1.450 24.666 -2.961 549 HB1 ALA 67 3HB ALA 67 2.205 25.428 -5.233 550 HB2 ALA 67 1HB ALA 67 3.552 25.292 -4.098 551 HB3 ALA 67 2HB ALA 67 3.311 24.050 -5.346 552 H LYS 68 H LYS 68 1.820 21.651 -4.896 553 HA LYS 68 HA LYS 68 -0.816 22.060 -6.270 554 HB2 LYS 68 1HB LYS 68 1.091 19.648 -6.105 555 HB3 LYS 68 2HB LYS 68 -0.372 19.621 -7.061 556 HG2 LYS 68 1HG LYS 68 0.392 21.016 -8.726 557 HG3 LYS 68 2HG LYS 68 1.337 22.040 -7.655 558 HD2 LYS 68 1HD LYS 68 3.018 20.175 -7.326 559 HD3 LYS 68 2HD LYS 68 2.194 19.192 -8.512 560 HE2 LYS 68 1HE LYS 68 3.476 21.984 -8.991 561 HE3 LYS 68 2HE LYS 68 4.267 20.447 -9.321 562 HZ1 LYS 68 3HZ LYS 68 2.650 19.952 -11.100 563 HZ2 LYS 68 1HZ LYS 68 1.682 21.212 -10.678 564 HZ3 LYS 68 2HZ LYS 68 3.147 21.499 -11.361 565 H HIS 69 H HIS 69 0.183 19.951 -3.575 566 HA HIS 69 HA HIS 69 -2.724 19.751 -2.732 567 HB2 HIS 69 1HB HIS 69 -0.884 17.402 -3.416 568 HB3 HIS 69 2HB HIS 69 -1.651 17.263 -1.865 569 HD1 HIS 69 HD1 HIS 69 -3.401 15.426 -2.267 570 HD2 HIS 69 HD2 HIS 69 -3.327 18.390 -5.364 571 HE1 HIS 69 HE1 HIS 69 -5.379 15.072 -3.803 572 HE2 HIS 69 HE2 HIS 69 -5.360 16.733 -5.805 573 HA PRO 70 HA PRO 70 -0.789 20.959 1.128 574 HB2 PRO 70 1HB PRO 70 -2.640 20.342 3.067 575 HB3 PRO 70 2HB PRO 70 -3.000 21.410 1.709 576 HG2 PRO 70 1HG PRO 70 -3.589 18.368 1.828 577 HG3 PRO 70 2HG PRO 70 -4.781 19.680 1.570 578 HD2 PRO 70 1HD PRO 70 -3.614 18.380 -0.580 579 HD3 PRO 70 2HD PRO 70 -3.926 20.145 -0.654 580 H ASP 71 H ASP 71 -1.567 18.695 3.511 581 HA ASP 71 HA ASP 71 0.944 17.043 3.007 582 HB2 ASP 71 1HB ASP 71 -0.674 17.822 5.515 583 HB3 ASP 71 2HB ASP 71 0.415 16.462 5.517 584 H GLU 72 H GLU 72 -0.762 16.411 1.315 585 HA GLU 72 HA GLU 72 -2.219 13.917 2.110 586 HB2 GLU 72 1HB GLU 72 -2.589 15.387 -0.106 587 HB3 GLU 72 2HB GLU 72 -1.297 14.420 -0.744 588 HG2 GLU 72 1HG GLU 72 -2.789 12.335 0.213 589 HG3 GLU 72 2HG GLU 72 -4.073 13.502 0.148 590 H LYS 73 H LYS 73 0.805 14.385 0.258 591 HA LYS 73 HA LYS 73 1.650 11.548 0.516 592 HB2 LYS 73 1HB LYS 73 2.167 13.062 -1.456 593 HB3 LYS 73 2HB LYS 73 3.244 13.986 -0.444 594 HG2 LYS 73 1HG LYS 73 4.258 11.340 -0.089 595 HG3 LYS 73 2HG LYS 73 3.481 11.186 -1.616 596 HD2 LYS 73 1HD LYS 73 5.488 11.849 -2.396 597 HD3 LYS 73 2HD LYS 73 4.887 13.479 -2.203 598 HE2 LYS 73 1HE LYS 73 6.871 11.868 -0.476 599 HE3 LYS 73 2HE LYS 73 7.159 13.337 -1.384 600 HZ1 LYS 73 3HZ LYS 73 5.998 12.995 1.300 601 HZ2 LYS 73 1HZ LYS 73 6.876 14.275 0.745 602 HZ3 LYS 73 2HZ LYS 73 5.249 14.172 0.435 603 H PHE 74 H PHE 74 3.219 10.684 1.848 604 HA PHE 74 HA PHE 74 3.514 11.963 4.510 605 HB2 PHE 74 1HB PHE 74 3.158 9.454 4.024 606 HB3 PHE 74 2HB PHE 74 4.791 9.363 3.417 607 HD1 PHE 74 HD1 PHE 74 2.669 9.955 6.446 608 HD2 PHE 74 HD2 PHE 74 6.713 9.436 5.052 609 HE1 PHE 74 HE1 PHE 74 3.445 9.701 8.771 610 HE2 PHE 74 HE2 PHE 74 7.474 9.186 7.385 611 HZ PHE 74 HZ PHE 74 5.843 9.319 9.247 612 HA PRO 75 HA PRO 75 7.492 13.944 3.310 613 HB2 PRO 75 1HB PRO 75 8.373 14.945 5.722 614 HB3 PRO 75 2HB PRO 75 6.939 15.536 4.860 615 HG2 PRO 75 1HG PRO 75 6.994 13.479 7.151 616 HG3 PRO 75 2HG PRO 75 6.011 14.966 7.060 617 HD2 PRO 75 1HD PRO 75 4.991 12.501 6.323 618 HD3 PRO 75 2HD PRO 75 4.509 13.969 5.421 619 H ALA 76 H ALA 76 8.010 11.688 2.784 620 HA ALA 76 HA ALA 76 10.039 10.284 4.365 621 HB1 ALA 76 3HB ALA 76 9.119 9.872 1.440 622 HB2 ALA 76 1HB ALA 76 10.011 8.696 2.416 623 HB3 ALA 76 2HB ALA 76 8.359 9.159 2.883 624 H PHE 77 H PHE 77 12.139 10.206 4.218 625 HA PHE 77 HA PHE 77 13.676 11.941 2.223 626 HB2 PHE 77 1HB PHE 77 15.373 12.268 3.866 627 HB3 PHE 77 2HB PHE 77 13.858 12.611 4.631 628 HD1 PHE 77 HD2 PHE 77 12.945 10.990 6.416 629 HD2 PHE 77 HD1 PHE 77 16.804 10.365 4.595 630 HE1 PHE 77 HE2 PHE 77 13.549 9.407 8.207 631 HE2 PHE 77 HE1 PHE 77 17.386 8.783 6.378 632 HZ PHE 77 HZ PHE 77 15.766 8.300 8.198 633 HA PRO 78 HA PRO 78 15.591 8.040 0.779 634 HB2 PRO 78 1HB PRO 78 17.947 8.873 -0.388 635 HB3 PRO 78 2HB PRO 78 16.337 9.317 -1.002 636 HG2 PRO 78 1HG PRO 78 18.146 10.994 0.847 637 HG3 PRO 78 2HG PRO 78 17.404 11.520 -0.686 638 HD2 PRO 78 1HD PRO 78 16.232 12.049 1.779 639 HD3 PRO 78 2HD PRO 78 15.210 11.708 0.354 640 H GLY 79 H GLY 79 15.883 6.848 2.563 641 HA2 GLY 79 1HA GLY 79 18.658 6.776 3.907 642 HA3 GLY 79 2HA GLY 79 17.182 6.859 4.870 Start of MODEL 7 1 H1 PHE 1 1H PHE 1 -14.053 13.719 0.002 2 H2 PHE 1 2H PHE 1 -15.292 14.447 -0.780 3 HA PHE 1 HA PHE 1 -14.111 14.382 -2.878 4 HB2 PHE 1 1HB PHE 1 -13.203 15.966 -0.411 5 HB3 PHE 1 2HB PHE 1 -12.198 16.125 -1.811 6 HD1 PHE 1 HD1 PHE 1 -13.267 16.779 -4.104 7 HD2 PHE 1 HD2 PHE 1 -15.278 17.304 -0.326 8 HE1 PHE 1 HE1 PHE 1 -14.760 18.452 -5.122 9 HE2 PHE 1 HE2 PHE 1 -16.755 18.983 -1.361 10 HZ PHE 1 HZ PHE 1 -16.516 19.543 -3.762 11 H ASN 2 H ASN 2 -11.870 14.693 -3.715 12 HA ASN 2 HA ASN 2 -10.540 12.057 -3.710 13 HB2 ASN 2 1HB ASN 2 -10.801 13.702 -5.671 14 HB3 ASN 2 2HB ASN 2 -9.607 14.747 -4.914 15 HD21 ASN 2 1HD2 ASN 2 -9.027 14.053 -7.366 16 HD22 ASN 2 2HD2 ASN 2 -7.776 12.721 -7.401 17 H VAL 3 H VAL 3 -9.661 15.093 -2.158 18 HA VAL 3 HA VAL 3 -6.884 14.299 -1.609 19 HB VAL 3 HB VAL 3 -7.423 16.605 -1.915 20 HG11 VAL 3 1HG1 VAL 3 -9.582 16.844 -0.579 21 HG12 VAL 3 2HG1 VAL 3 -8.651 16.715 0.922 22 HG13 VAL 3 3HG1 VAL 3 -8.363 18.070 -0.194 23 HG21 VAL 3 3HG2 VAL 3 -6.103 16.082 0.829 24 HG22 VAL 3 1HG2 VAL 3 -5.310 15.933 -0.760 25 HG23 VAL 3 2HG2 VAL 3 -5.901 17.516 -0.202 26 H LYS 4 H LYS 4 -6.298 12.777 -0.333 27 HA LYS 4 HA LYS 4 -7.571 12.314 2.384 28 HB2 LYS 4 1HB LYS 4 -8.879 11.130 0.406 29 HB3 LYS 4 2HB LYS 4 -7.511 10.027 0.287 30 HG2 LYS 4 1HG LYS 4 -7.872 9.442 2.780 31 HG3 LYS 4 2HG LYS 4 -9.242 10.567 2.801 32 HD2 LYS 4 1HD LYS 4 -10.294 9.218 0.859 33 HD3 LYS 4 2HD LYS 4 -9.025 8.017 1.042 34 HE2 LYS 4 1HE LYS 4 -11.095 8.868 3.206 35 HE3 LYS 4 2HE LYS 4 -11.222 7.441 2.183 36 HZ1 LYS 4 3HZ LYS 4 -8.921 7.880 4.089 37 HZ2 LYS 4 1HZ LYS 4 -10.220 6.944 4.453 38 HZ3 LYS 4 2HZ LYS 4 -9.194 6.510 3.236 39 H GLN 5 H GLN 5 -5.916 12.044 3.724 40 HA GLN 5 HA GLN 5 -3.232 11.498 3.049 41 HB2 GLN 5 1HB GLN 5 -4.793 11.400 5.704 42 HB3 GLN 5 2HB GLN 5 -3.111 10.963 5.690 43 HG2 GLN 5 1HG GLN 5 -3.135 13.221 6.280 44 HG3 GLN 5 2HG GLN 5 -2.428 13.134 4.679 45 HE21 GLN 5 1HE2 GLN 5 -2.860 15.336 4.352 46 HE22 GLN 5 2HE2 GLN 5 -4.593 15.962 4.171 47 H LYS 6 H LYS 6 -1.828 9.857 4.183 48 HA LYS 6 HA LYS 6 -2.307 7.517 2.442 49 HB2 LYS 6 1HB LYS 6 0.169 8.074 4.181 50 HB3 LYS 6 2HB LYS 6 0.101 7.012 2.799 51 HG2 LYS 6 1HG LYS 6 0.021 10.073 2.847 52 HG3 LYS 6 2HG LYS 6 1.328 9.013 2.367 53 HD2 LYS 6 1HD LYS 6 0.571 10.065 0.503 54 HD3 LYS 6 2HD LYS 6 0.230 8.386 0.302 55 HE2 LYS 6 1HE LYS 6 -2.258 8.805 0.710 56 HE3 LYS 6 2HE LYS 6 -1.927 10.476 1.096 57 HZ1 LYS 6 3HZ LYS 6 -0.689 9.644 -1.418 58 HZ2 LYS 6 1HZ LYS 6 -2.348 9.506 -1.479 59 HZ3 LYS 6 2HZ LYS 6 -1.658 10.957 -1.149 60 H SER 7 H SER 7 -2.045 5.370 2.858 61 HA SER 7 HA SER 7 -2.479 4.374 5.739 62 HB2 SER 7 1HB SER 7 -3.963 2.598 4.814 63 HB3 SER 7 2HB SER 7 -4.659 4.187 4.477 64 HG SER 7 HG SER 7 -3.130 2.593 2.662 65 H GLU 8 H GLU 8 -0.778 3.047 6.242 66 HA GLU 8 HA GLU 8 0.538 1.366 4.027 67 HB2 GLU 8 1HB GLU 8 1.931 2.618 6.467 68 HB3 GLU 8 2HB GLU 8 2.641 1.521 5.291 69 HG2 GLU 8 1HG GLU 8 1.961 3.324 3.440 70 HG3 GLU 8 2HG GLU 8 1.694 4.416 4.774 71 H ILE 9 H ILE 9 -0.558 -0.528 4.317 72 HA ILE 9 HA ILE 9 -1.050 -1.470 7.198 73 HB ILE 9 HB ILE 9 -2.761 -2.036 4.730 74 HG12 ILE 9 1HG1 ILE 9 -3.592 -0.410 7.188 75 HG13 ILE 9 2HG1 ILE 9 -2.845 0.359 5.796 76 HG21 ILE 9 1HG2 ILE 9 -3.176 -2.913 7.658 77 HG22 ILE 9 2HG2 ILE 9 -4.398 -3.069 6.375 78 HG23 ILE 9 3HG2 ILE 9 -2.898 -3.980 6.258 79 HD11 ILE 9 3HD1 ILE 9 -5.516 -1.169 5.653 80 HD12 ILE 9 1HD1 ILE 9 -5.250 0.583 5.597 81 HD13 ILE 9 2HD1 ILE 9 -4.664 -0.435 4.270 82 H THR 10 H THR 10 -0.753 -3.467 7.753 83 HA THR 10 HA THR 10 1.641 -4.630 6.730 84 HB THR 10 HB THR 10 0.929 -4.370 9.123 85 HG1 THR 10 HG1 THR 10 1.758 -6.585 9.645 86 HG21 THR 10 3HG2 THR 10 -0.265 -6.172 10.302 87 HG22 THR 10 1HG2 THR 10 -1.354 -5.503 9.077 88 HG23 THR 10 2HG2 THR 10 -0.563 -7.059 8.789 89 H ALA 11 H ALA 11 2.145 -6.893 6.611 90 HA ALA 11 HA ALA 11 0.872 -8.105 4.339 91 HB1 ALA 11 3HB ALA 11 3.055 -9.306 6.152 92 HB2 ALA 11 1HB ALA 11 2.735 -9.737 4.460 93 HB3 ALA 11 2HB ALA 11 3.337 -8.135 4.847 94 H LEU 12 H LEU 12 -0.673 -9.508 4.098 95 HA LEU 12 HA LEU 12 -1.832 -11.023 6.465 96 HB2 LEU 12 1HB LEU 12 -2.946 -9.773 3.902 97 HB3 LEU 12 2HB LEU 12 -3.652 -11.268 4.331 98 HG LEU 12 HG LEU 12 -4.886 -9.286 5.132 99 HD11 LEU 12 1HD1 LEU 12 -5.558 -10.263 7.287 100 HD12 LEU 12 2HD1 LEU 12 -5.234 -11.560 6.126 101 HD13 LEU 12 3HD1 LEU 12 -4.057 -11.201 7.409 102 HD21 LEU 12 3HD2 LEU 12 -2.914 -7.854 6.007 103 HD22 LEU 12 1HD2 LEU 12 -4.258 -8.038 7.145 104 HD23 LEU 12 2HD2 LEU 12 -2.767 -8.963 7.367 105 H VAL 13 H VAL 13 -2.019 -13.134 6.418 106 HA VAL 13 HA VAL 13 -0.367 -14.849 4.744 107 HB VAL 13 HB VAL 13 -1.495 -16.746 5.857 108 HG11 VAL 13 1HG1 VAL 13 0.528 -15.773 6.890 109 HG12 VAL 13 2HG1 VAL 13 -0.450 -14.604 7.810 110 HG13 VAL 13 3HG1 VAL 13 -0.592 -16.350 8.138 111 HG21 VAL 13 3HG2 VAL 13 -3.048 -16.520 7.730 112 HG22 VAL 13 1HG2 VAL 13 -3.089 -14.747 7.596 113 HG23 VAL 13 2HG2 VAL 13 -3.811 -15.746 6.323 114 H LYS 14 H LYS 14 -0.799 -16.184 3.049 115 HA LYS 14 HA LYS 14 -2.599 -14.849 1.259 116 HB2 LYS 14 1HB LYS 14 -0.306 -15.809 0.787 117 HB3 LYS 14 2HB LYS 14 -0.969 -17.416 0.752 118 HG2 LYS 14 1HG LYS 14 -0.671 -16.720 -1.517 119 HG3 LYS 14 2HG LYS 14 -2.399 -16.818 -1.239 120 HD2 LYS 14 1HD LYS 14 -2.463 -14.271 -0.913 121 HD3 LYS 14 2HD LYS 14 -0.745 -14.191 -1.245 122 HE2 LYS 14 1HE LYS 14 -1.179 -15.230 -3.564 123 HE3 LYS 14 2HE LYS 14 -2.910 -15.287 -3.182 124 HZ1 LYS 14 3HZ LYS 14 -1.295 -12.717 -3.177 125 HZ2 LYS 14 1HZ LYS 14 -2.309 -13.163 -4.395 126 HZ3 LYS 14 2HZ LYS 14 -2.903 -12.841 -2.881 127 H GLU 15 H GLU 15 -4.311 -15.304 0.147 128 HA GLU 15 HA GLU 15 -6.369 -16.935 1.265 129 HB2 GLU 15 1HB GLU 15 -6.348 -15.397 -1.423 130 HB3 GLU 15 2HB GLU 15 -7.764 -15.902 -0.525 131 HG2 GLU 15 1HG GLU 15 -7.549 -13.585 -0.086 132 HG3 GLU 15 2HG GLU 15 -7.065 -14.362 1.410 133 H VAL 16 H VAL 16 -6.966 -19.000 0.784 134 HA VAL 16 HA VAL 16 -6.490 -20.318 -1.825 135 HB VAL 16 HB VAL 16 -5.061 -21.856 0.430 136 HG11 VAL 16 1HG1 VAL 16 -3.951 -23.007 -1.427 137 HG12 VAL 16 2HG1 VAL 16 -5.655 -22.939 -1.886 138 HG13 VAL 16 3HG1 VAL 16 -4.507 -21.823 -2.629 139 HG21 VAL 16 3HG2 VAL 16 -3.684 -19.750 0.367 140 HG22 VAL 16 1HG2 VAL 16 -2.813 -21.121 -0.319 141 HG23 VAL 16 2HG2 VAL 16 -3.522 -19.875 -1.395 142 H THR 17 H THR 17 -7.933 -22.021 -2.068 143 HA THR 17 HA THR 17 -10.240 -22.066 -0.401 144 HB THR 17 HB THR 17 -9.443 -24.144 -2.524 145 HG1 THR 17 HG1 THR 17 -11.048 -22.736 -3.612 146 HG21 THR 17 3HG2 THR 17 -11.409 -25.027 -1.260 147 HG22 THR 17 1HG2 THR 17 -12.221 -23.450 -1.348 148 HG23 THR 17 2HG2 THR 17 -11.950 -24.407 -2.823 149 HA PRO 18 HA PRO 18 -9.265 -26.018 2.108 150 HB2 PRO 18 1HB PRO 18 -6.897 -27.412 1.949 151 HB3 PRO 18 2HB PRO 18 -8.163 -27.581 0.714 152 HG2 PRO 18 1HG PRO 18 -5.638 -25.821 0.570 153 HG3 PRO 18 2HG PRO 18 -6.231 -26.968 -0.663 154 HD2 PRO 18 1HD PRO 18 -6.759 -24.184 -0.568 155 HD3 PRO 18 2HD PRO 18 -7.794 -25.316 -1.491 156 HA PRO 19 HA PRO 19 -7.203 -23.500 5.277 157 HB2 PRO 19 1HB PRO 19 -6.860 -25.201 7.452 158 HB3 PRO 19 2HB PRO 19 -8.444 -24.684 6.835 159 HG2 PRO 19 1HG PRO 19 -6.921 -27.271 6.075 160 HG3 PRO 19 2HG PRO 19 -8.567 -27.171 6.767 161 HD2 PRO 19 1HD PRO 19 -8.288 -27.351 4.055 162 HD3 PRO 19 2HD PRO 19 -9.454 -26.152 4.706 163 H ARG 20 H ARG 20 -5.445 -23.635 3.601 164 HA ARG 20 HA ARG 20 -2.740 -24.259 4.933 165 HB2 ARG 20 1HB ARG 20 -3.599 -25.746 3.016 166 HB3 ARG 20 2HB ARG 20 -3.463 -24.367 1.926 167 HG2 ARG 20 1HG ARG 20 -0.958 -24.247 2.415 168 HG3 ARG 20 2HG ARG 20 -1.125 -25.559 3.591 169 HD2 ARG 20 1HD ARG 20 -1.930 -27.127 1.798 170 HD3 ARG 20 2HD ARG 20 -1.843 -25.870 0.583 171 HE ARG 20 HE ARG 20 0.523 -27.183 2.043 172 HH11 ARG 20 2HH2 ARG 20 -0.467 -25.032 -0.516 173 HH12 ARG 20 1HH2 ARG 20 1.174 -25.135 -1.311 174 HH21 ARG 20 2HH1 ARG 20 2.356 -27.254 1.118 175 HH22 ARG 20 1HH1 ARG 20 2.685 -26.322 -0.405 176 H LYS 21 H LYS 21 -1.784 -22.434 5.466 177 HA LYS 21 HA LYS 21 -2.251 -19.853 3.869 178 HB2 LYS 21 1HB LYS 21 -1.680 -20.388 6.845 179 HB3 LYS 21 2HB LYS 21 -1.723 -18.801 6.159 180 HG2 LYS 21 1HG LYS 21 -4.086 -20.776 6.143 181 HG3 LYS 21 2HG LYS 21 -3.826 -19.533 7.334 182 HD2 LYS 21 1HD LYS 21 -4.821 -17.949 6.133 183 HD3 LYS 21 2HD LYS 21 -3.774 -18.126 4.763 184 HE2 LYS 21 1HE LYS 21 -6.165 -20.069 5.243 185 HE3 LYS 21 2HE LYS 21 -6.405 -18.477 4.537 186 HZ1 LYS 21 3HZ LYS 21 -5.997 -20.185 2.745 187 HZ2 LYS 21 1HZ LYS 21 -4.795 -19.027 2.737 188 HZ3 LYS 21 2HZ LYS 21 -4.497 -20.507 3.334 189 H ALA 22 H ALA 22 -0.538 -20.085 2.430 190 HA ALA 22 HA ALA 22 2.258 -20.226 3.237 191 HB1 ALA 22 3HB ALA 22 1.345 -20.685 0.904 192 HB2 ALA 22 1HB ALA 22 1.104 -18.930 0.670 193 HB3 ALA 22 2HB ALA 22 2.738 -19.590 0.898 194 HA PRO 23 HA PRO 23 2.788 -15.811 4.516 195 HB2 PRO 23 1HB PRO 23 5.498 -15.686 4.965 196 HB3 PRO 23 2HB PRO 23 4.394 -16.673 5.949 197 HG2 PRO 23 1HG PRO 23 6.070 -17.641 3.544 198 HG3 PRO 23 2HG PRO 23 6.073 -18.325 5.195 199 HD2 PRO 23 1HD PRO 23 4.477 -19.416 3.222 200 HD3 PRO 23 2HD PRO 23 3.865 -19.293 4.905 201 H SER 24 H SER 24 1.989 -15.238 2.456 202 HA SER 24 HA SER 24 3.752 -14.318 0.256 203 HB2 SER 24 1HB SER 24 1.467 -14.965 -0.193 204 HB3 SER 24 2HB SER 24 0.808 -13.760 0.943 205 HG SER 24 HG SER 24 2.188 -13.259 -1.503 206 H LYS 25 H LYS 25 4.439 -12.309 -0.188 207 HA LYS 25 HA LYS 25 4.727 -10.351 2.106 208 HB2 LYS 25 1HB LYS 25 5.986 -10.312 -0.709 209 HB3 LYS 25 2HB LYS 25 6.146 -9.042 0.474 210 HG2 LYS 25 1HG LYS 25 8.127 -10.253 0.683 211 HG3 LYS 25 2HG LYS 25 7.202 -10.541 2.134 212 HD2 LYS 25 1HD LYS 25 8.257 -12.564 1.625 213 HD3 LYS 25 2HD LYS 25 6.558 -12.837 1.317 214 HE2 LYS 25 1HE LYS 25 7.033 -12.470 -1.227 215 HE3 LYS 25 2HE LYS 25 8.747 -12.298 -0.832 216 HZ1 LYS 25 3HZ LYS 25 7.148 -14.730 -0.005 217 HZ2 LYS 25 1HZ LYS 25 8.030 -14.700 -1.397 218 HZ3 LYS 25 2HZ LYS 25 8.776 -14.582 0.063 219 H ALA 26 H ALA 26 2.707 -9.569 2.362 220 HA ALA 26 HA ALA 26 1.284 -8.188 0.083 221 HB1 ALA 26 3HB ALA 26 -0.712 -8.333 1.667 222 HB2 ALA 26 1HB ALA 26 -0.026 -9.879 1.134 223 HB3 ALA 26 2HB ALA 26 0.324 -9.315 2.731 224 H LYS 27 H LYS 27 1.446 -6.130 -0.165 225 HA LYS 27 HA LYS 27 1.859 -4.285 2.271 226 HB2 LYS 27 1HB LYS 27 3.603 -4.546 -0.265 227 HB3 LYS 27 2HB LYS 27 3.369 -2.981 0.445 228 HG2 LYS 27 1HG LYS 27 5.240 -3.500 1.506 229 HG3 LYS 27 2HG LYS 27 4.071 -3.877 2.727 230 HD2 LYS 27 1HD LYS 27 4.490 -6.356 1.240 231 HD3 LYS 27 2HD LYS 27 6.064 -5.610 1.300 232 HE2 LYS 27 1HE LYS 27 4.244 -6.268 3.727 233 HE3 LYS 27 2HE LYS 27 5.591 -7.256 3.176 234 HZ1 LYS 27 3HZ LYS 27 5.827 -4.424 4.227 235 HZ2 LYS 27 1HZ LYS 27 6.378 -5.759 5.012 236 HZ3 LYS 27 2HZ LYS 27 7.101 -5.240 3.623 237 H ARG 28 H ARG 28 0.463 -2.768 2.358 238 HA ARG 28 HA ARG 28 -1.200 -1.915 -0.098 239 HB2 ARG 28 1HB ARG 28 -2.049 -1.989 2.841 240 HB3 ARG 28 2HB ARG 28 -3.046 -1.421 1.519 241 HG2 ARG 28 1HG ARG 28 -3.260 -3.706 0.616 242 HG3 ARG 28 2HG ARG 28 -2.089 -4.350 1.744 243 HD2 ARG 28 1HD ARG 28 -3.581 -3.734 3.709 244 HD3 ARG 28 2HD ARG 28 -4.728 -2.984 2.632 245 HE ARG 28 HE ARG 28 -5.509 -5.169 1.883 246 HH11 ARG 28 2HH2 ARG 28 -2.640 -5.586 3.846 247 HH12 ARG 28 1HH2 ARG 28 -2.949 -7.370 4.009 248 HH21 ARG 28 2HH1 ARG 28 -5.795 -7.204 2.084 249 HH22 ARG 28 1HH1 ARG 28 -4.621 -8.238 3.007 250 H GLU 29 H GLU 29 0.041 -0.094 -0.547 251 HA GLU 29 HA GLU 29 0.527 1.949 1.682 252 HB2 GLU 29 1HB GLU 29 2.675 1.007 -0.306 253 HB3 GLU 29 2HB GLU 29 2.724 2.535 0.548 254 HG2 GLU 29 1HG GLU 29 3.950 1.470 2.052 255 HG3 GLU 29 2HG GLU 29 2.429 1.102 2.777 256 H ALA 30 H ALA 30 -0.229 3.899 1.195 257 HA ALA 30 HA ALA 30 -0.794 4.723 -1.635 258 HB1 ALA 30 3HB ALA 30 -1.156 6.035 1.116 259 HB2 ALA 30 1HB ALA 30 -1.571 6.859 -0.386 260 HB3 ALA 30 2HB ALA 30 -2.416 5.350 0.055 261 HA PRO 31 HA PRO 31 2.931 7.507 -1.617 262 HB2 PRO 31 1HB PRO 31 3.863 7.146 -4.070 263 HB3 PRO 31 2HB PRO 31 3.867 5.817 -2.916 264 HG2 PRO 31 1HG PRO 31 1.741 6.283 -5.123 265 HG3 PRO 31 2HG PRO 31 2.672 4.788 -4.839 266 HD2 PRO 31 1HD PRO 31 0.117 5.288 -3.733 267 HD3 PRO 31 2HD PRO 31 1.322 4.195 -2.977 268 H ILE 32 H ILE 32 2.188 8.309 -4.824 269 HA ILE 32 HA ILE 32 1.033 10.947 -3.823 270 HB ILE 32 HB ILE 32 2.000 11.966 -5.902 271 HG12 ILE 32 1HG1 ILE 32 3.562 9.337 -6.192 272 HG13 ILE 32 2HG1 ILE 32 2.389 9.997 -7.305 273 HG21 ILE 32 1HG2 ILE 32 2.893 12.200 -3.620 274 HG22 ILE 32 2HG2 ILE 32 3.951 10.781 -3.820 275 HG23 ILE 32 3HG2 ILE 32 4.193 12.259 -4.796 276 HD11 ILE 32 3HD1 ILE 32 4.594 10.554 -8.199 277 HD12 ILE 32 1HD1 ILE 32 4.018 12.099 -7.504 278 HD13 ILE 32 2HD1 ILE 32 5.180 11.091 -6.663 279 H LYS 33 H LYS 33 -0.723 11.770 -4.561 280 HA LYS 33 HA LYS 33 -2.542 10.412 -6.489 281 HB2 LYS 33 1HB LYS 33 -3.140 11.894 -4.363 282 HB3 LYS 33 2HB LYS 33 -2.879 13.268 -5.399 283 HG2 LYS 33 1HG LYS 33 -5.215 12.878 -5.413 284 HG3 LYS 33 2HG LYS 33 -4.675 12.356 -6.987 285 HD2 LYS 33 1HD LYS 33 -6.306 10.804 -6.182 286 HD3 LYS 33 2HD LYS 33 -4.799 9.985 -6.381 287 HE2 LYS 33 1HE LYS 33 -6.189 9.287 -4.427 288 HE3 LYS 33 2HE LYS 33 -4.475 9.583 -4.091 289 HZ1 LYS 33 3HZ LYS 33 -4.959 11.550 -2.863 290 HZ2 LYS 33 1HZ LYS 33 -6.519 11.709 -3.442 291 HZ3 LYS 33 2HZ LYS 33 -6.142 10.528 -2.382 292 H TYR 34 H TYR 34 -0.280 13.010 -6.757 293 HA TYR 34 HA TYR 34 -1.237 14.273 -9.273 294 HB2 TYR 34 1HB TYR 34 0.356 15.247 -7.491 295 HB3 TYR 34 2HB TYR 34 1.598 14.158 -8.065 296 HD1 TYR 34 HD1 TYR 34 -0.644 17.008 -9.131 297 HD2 TYR 34 HD2 TYR 34 3.008 14.855 -9.917 298 HE1 TYR 34 HE1 TYR 34 0.077 18.775 -10.677 299 HE2 TYR 34 HE2 TYR 34 3.704 16.631 -11.471 300 HH TYR 34 HH TYR 34 1.524 19.167 -12.452 301 H TRP 35 H TRP 35 0.824 11.494 -8.684 302 HA TRP 35 HA TRP 35 1.200 11.030 -11.687 303 HB2 TRP 35 1HB TRP 35 3.173 10.874 -10.011 304 HB3 TRP 35 2HB TRP 35 2.451 9.386 -9.401 305 HD1 TRP 35 HD1 TRP 35 2.407 7.207 -11.221 306 HE1 TRP 35 HE1 TRP 35 4.021 6.530 -13.180 307 HE3 TRP 35 HE3 TRP 35 4.594 11.815 -11.824 308 HZ2 TRP 35 HZ2 TRP 35 5.987 7.931 -14.678 309 HZ3 TRP 35 HZ3 TRP 35 6.390 12.055 -13.524 310 HH2 TRP 35 HH2 TRP 35 7.069 10.157 -14.922 311 H LEU 36 H LEU 36 -0.144 9.308 -8.748 312 HA LEU 36 HA LEU 36 -1.468 7.309 -10.656 313 HB2 LEU 36 1HB LEU 36 -0.751 7.017 -7.677 314 HB3 LEU 36 2HB LEU 36 -1.601 5.806 -8.623 315 HG LEU 36 HG LEU 36 1.306 6.737 -9.060 316 HD11 LEU 36 1HD1 LEU 36 1.953 4.613 -8.101 317 HD12 LEU 36 2HD1 LEU 36 0.751 5.287 -6.986 318 HD13 LEU 36 3HD1 LEU 36 0.289 3.986 -8.100 319 HD21 LEU 36 3HD2 LEU 36 1.451 4.758 -10.663 320 HD22 LEU 36 1HD2 LEU 36 -0.319 4.556 -10.562 321 HD23 LEU 36 2HD2 LEU 36 0.375 6.024 -11.268 322 HA PRO 37 HA PRO 37 -5.153 9.607 -9.157 323 HB2 PRO 37 1HB PRO 37 -7.210 8.234 -10.463 324 HB3 PRO 37 2HB PRO 37 -6.088 9.361 -11.239 325 HG2 PRO 37 1HG PRO 37 -5.832 6.294 -11.114 326 HG3 PRO 37 2HG PRO 37 -5.756 7.324 -12.564 327 HD2 PRO 37 1HD PRO 37 -3.454 6.483 -11.313 328 HD3 PRO 37 2HD PRO 37 -3.528 8.148 -11.976 329 H HIS 38 H HIS 38 -4.848 6.242 -8.547 330 HA HIS 38 HA HIS 38 -6.447 6.571 -5.924 331 HB2 HIS 38 1HB HIS 38 -7.288 4.821 -7.619 332 HB3 HIS 38 2HB HIS 38 -5.789 3.936 -7.424 333 HD1 HIS 38 HD1 HIS 38 -9.098 3.425 -6.455 334 HD2 HIS 38 HD2 HIS 38 -5.409 3.621 -4.272 335 HE1 HIS 38 HE1 HIS 38 -9.314 2.117 -4.233 336 HE2 HIS 38 HE2 HIS 38 -7.070 2.093 -2.919 337 H SER 39 H SER 39 -4.720 7.399 -4.692 338 HA SER 39 HA SER 39 -2.109 5.920 -4.457 339 HB2 SER 39 1HB SER 39 -1.546 7.343 -2.628 340 HB3 SER 39 2HB SER 39 -2.177 8.360 -3.911 341 HG SER 39 HG SER 39 -3.878 7.349 -1.881 342 H GLY 40 H GLY 40 -2.257 3.896 -3.674 343 HA2 GLY 40 1HA GLY 40 -2.351 2.830 -1.284 344 HA3 GLY 40 2HA GLY 40 -4.050 3.229 -1.253 345 H ALA 41 H ALA 41 -1.615 1.333 -2.900 346 HA ALA 41 HA ALA 41 -3.775 -0.469 -4.137 347 HB1 ALA 41 3HB ALA 41 -2.079 -0.992 -5.856 348 HB2 ALA 41 1HB ALA 41 -2.267 0.769 -5.716 349 HB3 ALA 41 2HB ALA 41 -0.842 -0.034 -5.013 350 H THR 42 H THR 42 -3.855 -2.571 -3.681 351 HA THR 42 HA THR 42 -2.057 -3.706 -1.538 352 HB THR 42 HB THR 42 -4.432 -3.798 -1.214 353 HG1 THR 42 HG1 THR 42 -3.445 -6.408 -1.629 354 HG21 THR 42 3HG2 THR 42 -5.955 -5.349 -2.263 355 HG22 THR 42 1HG2 THR 42 -5.341 -4.287 -3.547 356 HG23 THR 42 2HG2 THR 42 -4.738 -5.947 -3.404 357 H TRP 43 H TRP 43 -0.189 -4.482 -2.288 358 HA TRP 43 HA TRP 43 -0.252 -6.407 -4.693 359 HB2 TRP 43 1HB TRP 43 1.307 -4.405 -4.805 360 HB3 TRP 43 2HB TRP 43 2.291 -5.150 -3.540 361 HD1 TRP 43 HD1 TRP 43 2.005 -8.375 -4.965 362 HE1 TRP 43 HE1 TRP 43 3.312 -8.931 -7.168 363 HE3 TRP 43 HE3 TRP 43 2.904 -3.528 -6.409 364 HZ2 TRP 43 HZ2 TRP 43 4.719 -7.373 -9.067 365 HZ3 TRP 43 HZ3 TRP 43 4.292 -3.144 -8.447 366 HH2 TRP 43 HH2 TRP 43 5.206 -5.044 -9.724 367 H SER 44 H SER 44 -0.850 -8.271 -3.751 368 HA SER 44 HA SER 44 0.766 -9.450 -1.429 369 HB2 SER 44 1HB SER 44 -1.699 -9.407 -1.208 370 HB3 SER 44 2HB SER 44 -1.882 -10.337 -2.700 371 HG SER 44 HG SER 44 -0.546 -11.197 -0.320 372 H GLY 45 H GLY 45 2.660 -9.970 -2.406 373 HA2 GLY 45 1HA GLY 45 3.070 -12.602 -3.481 374 HA3 GLY 45 2HA GLY 45 2.805 -11.626 -4.915 375 H ARG 46 H ARG 46 4.193 -9.767 -5.170 376 HA ARG 46 HA ARG 46 7.091 -10.289 -4.445 377 HB2 ARG 46 1HB ARG 46 6.704 -9.868 -6.741 378 HB3 ARG 46 2HB ARG 46 5.712 -8.464 -6.484 379 HG2 ARG 46 1HG ARG 46 8.656 -8.361 -5.617 380 HG3 ARG 46 2HG ARG 46 8.228 -8.291 -7.322 381 HD2 ARG 46 1HD ARG 46 6.813 -6.333 -7.053 382 HD3 ARG 46 2HD ARG 46 6.960 -6.345 -5.290 383 HE ARG 46 HE ARG 46 9.649 -6.164 -5.999 384 HH11 ARG 46 2HH2 ARG 46 6.908 -4.299 -7.073 385 HH12 ARG 46 1HH2 ARG 46 7.948 -2.815 -7.326 386 HH21 ARG 46 2HH1 ARG 46 10.786 -4.464 -6.336 387 HH22 ARG 46 1HH1 ARG 46 10.018 -2.927 -6.923 388 H GLY 47 H GLY 47 8.256 -8.953 -3.173 389 HA2 GLY 47 1HA GLY 47 6.967 -7.283 -1.090 390 HA3 GLY 47 2HA GLY 47 8.687 -7.462 -1.333 391 H LYS 48 H LYS 48 5.909 -5.869 -2.685 392 HA LYS 48 HA LYS 48 7.423 -3.446 -3.627 393 HB2 LYS 48 1HB LYS 48 5.602 -4.127 -4.900 394 HB3 LYS 48 2HB LYS 48 4.513 -4.374 -3.577 395 HG2 LYS 48 1HG LYS 48 5.426 -1.513 -4.313 396 HG3 LYS 48 2HG LYS 48 4.203 -2.354 -5.217 397 HD2 LYS 48 1HD LYS 48 3.275 -2.822 -2.602 398 HD3 LYS 48 2HD LYS 48 4.130 -1.303 -2.401 399 HE2 LYS 48 1HE LYS 48 2.641 -0.313 -4.298 400 HE3 LYS 48 2HE LYS 48 1.786 -1.863 -4.343 401 HZ1 LYS 48 3HZ LYS 48 1.514 0.220 -2.324 402 HZ2 LYS 48 1HZ LYS 48 0.584 -1.150 -2.510 403 HZ3 LYS 48 2HZ LYS 48 1.957 -1.198 -1.618 404 H ILE 49 H ILE 49 8.476 -2.514 -1.883 405 HA ILE 49 HA ILE 49 6.652 -1.116 0.168 406 HB ILE 49 HB ILE 49 9.722 -1.373 0.416 407 HG12 ILE 49 1HG1 ILE 49 9.121 -2.724 2.554 408 HG13 ILE 49 2HG1 ILE 49 7.510 -2.977 1.891 409 HG21 ILE 49 1HG2 ILE 49 7.579 -0.382 2.435 410 HG22 ILE 49 2HG2 ILE 49 9.351 -0.419 2.680 411 HG23 ILE 49 3HG2 ILE 49 8.646 0.675 1.487 412 HD11 ILE 49 3HD1 ILE 49 10.134 -3.857 0.474 413 HD12 ILE 49 1HD1 ILE 49 9.213 -4.888 1.580 414 HD13 ILE 49 2HD1 ILE 49 8.490 -4.373 0.052 415 HA PRO 50 HA PRO 50 8.057 2.089 -2.927 416 HB2 PRO 50 1HB PRO 50 5.904 3.813 -2.893 417 HB3 PRO 50 2HB PRO 50 5.751 2.144 -3.484 418 HG2 PRO 50 1HG PRO 50 5.060 3.190 -0.664 419 HG3 PRO 50 2HG PRO 50 4.011 2.249 -1.749 420 HD2 PRO 50 1HD PRO 50 5.619 1.119 0.285 421 HD3 PRO 50 2HD PRO 50 5.147 0.196 -1.163 422 H LYS 51 H LYS 51 9.148 2.100 -0.436 423 HA LYS 51 HA LYS 51 9.490 4.937 0.498 424 HB2 LYS 51 1HB LYS 51 10.440 2.282 1.473 425 HB3 LYS 51 2HB LYS 51 11.748 3.414 1.430 426 HG2 LYS 51 1HG LYS 51 10.720 3.435 3.596 427 HG3 LYS 51 2HG LYS 51 10.594 5.025 2.858 428 HD2 LYS 51 1HD LYS 51 8.139 4.528 2.275 429 HD3 LYS 51 2HD LYS 51 8.294 2.936 3.015 430 HE2 LYS 51 1HE LYS 51 8.773 3.935 5.252 431 HE3 LYS 51 2HE LYS 51 8.845 5.570 4.566 432 HZ1 LYS 51 3HZ LYS 51 6.400 5.181 3.808 433 HZ2 LYS 51 1HZ LYS 51 6.361 3.825 4.634 434 HZ3 LYS 51 2HZ LYS 51 6.521 5.197 5.432 435 HA PRO 52 HA PRO 52 13.477 5.167 -2.191 436 HB2 PRO 52 1HB PRO 52 13.907 3.351 -4.284 437 HB3 PRO 52 2HB PRO 52 14.562 3.217 -2.643 438 HG2 PRO 52 1HG PRO 52 12.010 1.883 -3.731 439 HG3 PRO 52 2HG PRO 52 13.354 1.103 -2.861 440 HD2 PRO 52 1HD PRO 52 11.069 1.853 -1.547 441 HD3 PRO 52 2HD PRO 52 12.644 2.061 -0.732 442 H PHE 53 H PHE 53 10.392 4.401 -3.471 443 HA PHE 53 HA PHE 53 10.583 6.384 -5.766 444 HB2 PHE 53 1HB PHE 53 9.206 4.439 -6.194 445 HB3 PHE 53 2HB PHE 53 8.276 4.655 -4.726 446 HD1 PHE 53 HD2 PHE 53 9.073 6.433 -7.998 447 HD2 PHE 53 HD1 PHE 53 6.269 6.000 -4.759 448 HE1 PHE 53 HE2 PHE 53 7.425 7.764 -9.245 449 HE2 PHE 53 HE1 PHE 53 4.656 7.388 -5.988 450 HZ PHE 53 HZ PHE 53 5.202 8.230 -8.260 451 H GLU 54 H GLU 54 8.572 6.173 -2.708 452 HA GLU 54 HA GLU 54 7.812 8.993 -2.932 453 HB2 GLU 54 1HB GLU 54 6.493 7.174 -1.800 454 HB3 GLU 54 2HB GLU 54 7.583 7.231 -0.427 455 HG2 GLU 54 1HG GLU 54 6.905 9.532 0.119 456 HG3 GLU 54 2HG GLU 54 6.115 9.743 -1.468 457 H ALA 55 H ALA 55 10.618 7.611 -1.521 458 HA ALA 55 HA ALA 55 11.600 9.979 0.025 459 HB1 ALA 55 3HB ALA 55 13.072 7.510 -1.103 460 HB2 ALA 55 1HB ALA 55 13.779 8.725 -0.032 461 HB3 ALA 55 2HB ALA 55 12.440 7.722 0.546 462 H TRP 56 H TRP 56 12.340 8.702 -3.269 463 HA TRP 56 HA TRP 56 13.864 11.191 -3.933 464 HB2 TRP 56 1HB TRP 56 14.220 8.728 -4.937 465 HB3 TRP 56 2HB TRP 56 12.970 9.184 -6.088 466 HD1 TRP 56 HD1 TRP 56 13.870 10.859 -8.134 467 HE1 TRP 56 HE1 TRP 56 16.080 12.166 -8.703 468 HE3 TRP 56 HE3 TRP 56 16.268 9.976 -3.679 469 HZ2 TRP 56 HZ2 TRP 56 18.476 12.714 -7.255 470 HZ3 TRP 56 HZ3 TRP 56 18.522 10.971 -3.324 471 HH2 TRP 56 HH2 TRP 56 19.596 12.313 -5.072 472 H ILE 57 H ILE 57 10.552 10.092 -4.613 473 HA ILE 57 HA ILE 57 9.701 12.693 -5.824 474 HB ILE 57 HB ILE 57 8.313 10.288 -4.576 475 HG12 ILE 57 1HG1 ILE 57 9.111 9.982 -6.823 476 HG13 ILE 57 2HG1 ILE 57 7.384 9.867 -6.671 477 HG21 ILE 57 1HG2 ILE 57 6.620 12.633 -5.460 478 HG22 ILE 57 2HG2 ILE 57 6.166 10.995 -4.861 479 HG23 ILE 57 3HG2 ILE 57 6.916 12.136 -3.776 480 HD11 ILE 57 3HD1 ILE 57 7.117 12.178 -7.711 481 HD12 ILE 57 1HD1 ILE 57 8.883 12.295 -7.873 482 HD13 ILE 57 2HD1 ILE 57 7.993 11.037 -8.754 483 H GLY 58 H GLY 58 11.014 12.320 -2.821 484 HA2 GLY 58 1HA GLY 58 9.729 14.951 -1.945 485 HA3 GLY 58 2HA GLY 58 10.164 13.768 -0.733 486 H THR 59 H THR 59 12.832 13.266 -2.337 487 HA THR 59 HA THR 59 14.593 14.899 -0.979 488 HB THR 59 HB THR 59 15.033 13.986 -3.903 489 HG1 THR 59 HG1 THR 59 16.023 12.224 -2.809 490 HG21 THR 59 3HG2 THR 59 16.948 15.389 -3.303 491 HG22 THR 59 1HG2 THR 59 17.052 14.703 -1.671 492 HG23 THR 59 2HG2 THR 59 17.475 13.719 -3.084 493 H ALA 60 H ALA 60 13.308 15.818 -4.084 494 HA ALA 60 HA ALA 60 13.819 18.764 -3.445 495 HB1 ALA 60 3HB ALA 60 15.570 18.130 -5.142 496 HB2 ALA 60 1HB ALA 60 14.307 17.588 -6.278 497 HB3 ALA 60 2HB ALA 60 14.429 19.301 -5.819 498 H ALA 61 H ALA 61 11.711 16.452 -5.050 499 HA ALA 61 HA ALA 61 9.799 18.409 -6.117 500 HB1 ALA 61 3HB ALA 61 8.335 16.345 -6.398 501 HB2 ALA 61 1HB ALA 61 9.972 16.182 -7.072 502 HB3 ALA 61 2HB ALA 61 9.563 15.401 -5.533 503 H TYR 62 H TYR 62 10.059 17.161 -2.964 504 HA TYR 62 HA TYR 62 7.413 17.442 -1.877 505 HB2 TYR 62 1HB TYR 62 9.465 16.641 -0.633 506 HB3 TYR 62 2HB TYR 62 10.030 18.280 -0.490 507 HD1 TYR 62 HD1 TYR 62 6.775 16.358 0.212 508 HD2 TYR 62 HD2 TYR 62 9.597 19.296 1.606 509 HE1 TYR 62 HE1 TYR 62 5.666 16.396 2.421 510 HE2 TYR 62 HE2 TYR 62 8.418 19.400 3.752 511 HH TYR 62 HH TYR 62 6.829 18.469 5.029 512 H THR 63 H THR 63 9.691 20.178 -2.375 513 HA THR 63 HA THR 63 7.818 22.189 -1.241 514 HB THR 63 HB THR 63 10.253 22.490 -1.267 515 HG1 THR 63 HG1 THR 63 9.925 24.741 -2.239 516 HG21 THR 63 3HG2 THR 63 11.432 23.462 -3.201 517 HG22 THR 63 1HG2 THR 63 10.816 21.876 -3.697 518 HG23 THR 63 2HG2 THR 63 9.989 23.349 -4.233 519 H ALA 64 H ALA 64 8.106 20.826 -4.437 520 HA ALA 64 HA ALA 64 6.168 22.803 -5.685 521 HB1 ALA 64 3HB ALA 64 6.382 21.276 -7.721 522 HB2 ALA 64 1HB ALA 64 7.941 21.934 -7.179 523 HB3 ALA 64 2HB ALA 64 7.507 20.249 -6.815 524 H TRP 65 H TRP 65 6.278 19.393 -4.628 525 HA TRP 65 HA TRP 65 3.502 18.755 -5.167 526 HB2 TRP 65 1HB TRP 65 5.740 17.325 -4.318 527 HB3 TRP 65 2HB TRP 65 4.911 17.427 -2.788 528 HD1 TRP 65 HD1 TRP 65 4.857 15.702 -6.203 529 HE1 TRP 65 HE1 TRP 65 2.898 14.017 -6.522 530 HE3 TRP 65 HE3 TRP 65 2.222 17.004 -1.972 531 HZ2 TRP 65 HZ2 TRP 65 0.475 13.522 -5.111 532 HZ3 TRP 65 HZ3 TRP 65 0.083 15.835 -1.518 533 HH2 TRP 65 HH2 TRP 65 -0.785 14.133 -3.074 534 H LYS 66 H LYS 66 4.910 20.092 -2.201 535 HA LYS 66 HA LYS 66 2.379 20.245 -0.653 536 HB2 LYS 66 1HB LYS 66 5.042 21.784 -0.421 537 HB3 LYS 66 2HB LYS 66 3.729 22.003 0.702 538 HG2 LYS 66 1HG LYS 66 5.001 19.228 0.225 539 HG3 LYS 66 2HG LYS 66 5.682 20.385 1.325 540 HD2 LYS 66 1HD LYS 66 2.816 19.230 1.561 541 HD3 LYS 66 2HD LYS 66 4.229 18.610 2.353 542 HE2 LYS 66 1HE LYS 66 3.632 19.881 4.111 543 HE3 LYS 66 2HE LYS 66 4.532 21.147 3.317 544 HZ1 LYS 66 3HZ LYS 66 1.597 20.683 2.726 545 HZ2 LYS 66 1HZ LYS 66 2.034 21.649 3.987 546 HZ3 LYS 66 2HZ LYS 66 2.413 22.060 2.423 547 H ALA 67 H ALA 67 3.655 22.365 -3.160 548 HA ALA 67 HA ALA 67 1.485 24.438 -2.746 549 HB1 ALA 67 3HB ALA 67 3.640 25.171 -3.719 550 HB2 ALA 67 1HB ALA 67 3.481 24.025 -5.069 551 HB3 ALA 67 2HB ALA 67 2.348 25.381 -4.910 552 H LYS 68 H LYS 68 1.969 21.581 -4.862 553 HA LYS 68 HA LYS 68 -0.585 22.021 -6.388 554 HB2 LYS 68 1HB LYS 68 1.222 19.523 -6.108 555 HB3 LYS 68 2HB LYS 68 -0.323 19.462 -6.918 556 HG2 LYS 68 1HG LYS 68 1.081 19.691 -8.666 557 HG3 LYS 68 2HG LYS 68 0.403 21.305 -8.518 558 HD2 LYS 68 1HD LYS 68 2.520 22.034 -7.326 559 HD3 LYS 68 2HD LYS 68 3.157 20.395 -7.442 560 HE2 LYS 68 1HE LYS 68 3.439 20.441 -9.807 561 HE3 LYS 68 2HE LYS 68 2.322 21.788 -10.050 562 HZ1 LYS 68 3HZ LYS 68 4.986 22.058 -8.662 563 HZ2 LYS 68 1HZ LYS 68 4.653 22.594 -10.184 564 HZ3 LYS 68 2HZ LYS 68 3.924 23.283 -8.881 565 H HIS 69 H HIS 69 0.225 20.023 -3.557 566 HA HIS 69 HA HIS 69 -2.740 19.814 -2.918 567 HB2 HIS 69 1HB HIS 69 -0.896 17.524 -3.664 568 HB3 HIS 69 2HB HIS 69 -1.611 17.295 -2.100 569 HD1 HIS 69 HD1 HIS 69 -3.452 15.600 -2.387 570 HD2 HIS 69 HD2 HIS 69 -3.408 18.559 -5.516 571 HE1 HIS 69 HE1 HIS 69 -5.460 15.274 -3.891 572 HE2 HIS 69 HE2 HIS 69 -5.520 16.971 -5.868 573 HA PRO 70 HA PRO 70 -1.449 21.360 0.842 574 HB2 PRO 70 1HB PRO 70 -3.335 20.583 2.754 575 HB3 PRO 70 2HB PRO 70 -3.691 21.577 1.329 576 HG2 PRO 70 1HG PRO 70 -3.981 18.489 1.509 577 HG3 PRO 70 2HG PRO 70 -5.251 19.675 1.062 578 HD2 PRO 70 1HD PRO 70 -3.802 18.427 -0.898 579 HD3 PRO 70 2HD PRO 70 -4.161 20.175 -1.060 580 H ASP 71 H ASP 71 -2.251 18.438 2.730 581 HA ASP 71 HA ASP 71 0.695 17.661 2.619 582 HB2 ASP 71 1HB ASP 71 -0.149 18.948 4.860 583 HB3 ASP 71 2HB ASP 71 -0.840 17.383 5.273 584 H GLU 72 H GLU 72 -1.023 16.603 0.970 585 HA GLU 72 HA GLU 72 -2.112 14.091 1.985 586 HB2 GLU 72 1HB GLU 72 -2.668 15.421 -0.297 587 HB3 GLU 72 2HB GLU 72 -1.540 14.297 -0.986 588 HG2 GLU 72 1HG GLU 72 -2.975 12.428 0.347 589 HG3 GLU 72 2HG GLU 72 -4.170 13.685 0.481 590 H LYS 73 H LYS 73 0.914 14.684 0.344 591 HA LYS 73 HA LYS 73 1.792 11.804 0.071 592 HB2 LYS 73 1HB LYS 73 2.255 13.285 -1.681 593 HB3 LYS 73 2HB LYS 73 2.909 14.558 -0.669 594 HG2 LYS 73 1HG LYS 73 4.361 11.860 -0.827 595 HG3 LYS 73 2HG LYS 73 4.401 12.961 -2.195 596 HD2 LYS 73 1HD LYS 73 5.137 14.871 -0.623 597 HD3 LYS 73 2HD LYS 73 5.343 13.701 0.659 598 HE2 LYS 73 1HE LYS 73 6.804 13.623 -2.086 599 HE3 LYS 73 2HE LYS 73 7.480 14.337 -0.630 600 HZ1 LYS 73 3HZ LYS 73 6.601 11.469 -0.794 601 HZ2 LYS 73 1HZ LYS 73 8.185 11.888 -0.823 602 HZ3 LYS 73 2HZ LYS 73 7.210 12.131 0.527 603 H PHE 74 H PHE 74 3.449 10.820 1.249 604 HA PHE 74 HA PHE 74 3.646 11.730 4.086 605 HB2 PHE 74 1HB PHE 74 3.402 9.274 3.318 606 HB3 PHE 74 2HB PHE 74 5.061 9.306 2.799 607 HD1 PHE 74 HD1 PHE 74 2.778 9.537 5.766 608 HD2 PHE 74 HD2 PHE 74 6.912 9.341 4.560 609 HE1 PHE 74 HE1 PHE 74 3.437 9.006 8.078 610 HE2 PHE 74 HE2 PHE 74 7.552 8.809 6.882 611 HZ PHE 74 HZ PHE 74 5.816 8.623 8.640 612 HA PRO 75 HA PRO 75 7.587 13.949 3.191 613 HB2 PRO 75 1HB PRO 75 8.297 14.809 5.728 614 HB3 PRO 75 2HB PRO 75 6.890 15.421 4.834 615 HG2 PRO 75 1HG PRO 75 6.921 13.219 6.979 616 HG3 PRO 75 2HG PRO 75 5.862 14.654 6.919 617 HD2 PRO 75 1HD PRO 75 5.042 12.177 5.986 618 HD3 PRO 75 2HD PRO 75 4.489 13.679 5.175 619 H ALA 76 H ALA 76 8.144 11.676 2.639 620 HA ALA 76 HA ALA 76 10.281 10.378 4.222 621 HB1 ALA 76 3HB ALA 76 9.310 9.843 1.334 622 HB2 ALA 76 1HB ALA 76 10.301 8.749 2.310 623 HB3 ALA 76 2HB ALA 76 8.637 9.113 2.806 624 H PHE 77 H PHE 77 12.382 10.519 4.044 625 HA PHE 77 HA PHE 77 13.716 12.236 1.888 626 HB2 PHE 77 1HB PHE 77 15.422 12.805 3.467 627 HB3 PHE 77 2HB PHE 77 13.896 13.098 4.228 628 HD1 PHE 77 HD2 PHE 77 13.113 11.540 6.136 629 HD2 PHE 77 HD1 PHE 77 17.003 11.096 4.329 630 HE1 PHE 77 HE2 PHE 77 13.824 10.084 7.994 631 HE2 PHE 77 HE1 PHE 77 17.702 9.664 6.195 632 HZ PHE 77 HZ PHE 77 16.112 9.135 8.027 633 HA PRO 78 HA PRO 78 15.963 8.409 0.678 634 HB2 PRO 78 1HB PRO 78 18.274 9.345 -0.481 635 HB3 PRO 78 2HB PRO 78 16.653 9.608 -1.163 636 HG2 PRO 78 1HG PRO 78 18.268 11.569 0.578 637 HG3 PRO 78 2HG PRO 78 17.508 11.913 -0.992 638 HD2 PRO 78 1HD PRO 78 16.268 12.510 1.417 639 HD3 PRO 78 2HD PRO 78 15.301 12.010 0.001 640 H GLY 79 H GLY 79 16.376 7.263 2.440 641 HA2 GLY 79 1HA GLY 79 19.042 7.593 3.936 642 HA3 GLY 79 2HA GLY 79 17.520 7.607 4.837 Start of MODEL 8 1 H1 PHE 1 1H PHE 1 -13.232 10.849 -0.640 2 H2 PHE 1 2H PHE 1 -12.770 12.014 0.399 3 HA PHE 1 HA PHE 1 -13.699 12.451 -2.367 4 HB2 PHE 1 1HB PHE 1 -14.265 14.207 -0.584 5 HB3 PHE 1 2HB PHE 1 -12.557 14.453 -0.301 6 HD1 PHE 1 HD1 PHE 1 -15.053 14.392 -3.185 7 HD2 PHE 1 HD2 PHE 1 -11.640 16.339 -1.451 8 HE1 PHE 1 HE1 PHE 1 -15.078 16.066 -5.005 9 HE2 PHE 1 HE2 PHE 1 -11.661 18.002 -3.271 10 HZ PHE 1 HZ PHE 1 -13.381 17.869 -5.052 11 H ASN 2 H ASN 2 -11.776 13.823 -3.439 12 HA ASN 2 HA ASN 2 -9.794 11.718 -4.051 13 HB2 ASN 2 1HB ASN 2 -10.787 13.382 -5.704 14 HB3 ASN 2 2HB ASN 2 -9.830 14.666 -4.968 15 HD21 ASN 2 1HD2 ASN 2 -8.200 15.069 -6.423 16 HD22 ASN 2 2HD2 ASN 2 -7.357 13.752 -7.380 17 H VAL 3 H VAL 3 -9.491 14.730 -2.251 18 HA VAL 3 HA VAL 3 -6.540 14.338 -1.746 19 HB VAL 3 HB VAL 3 -7.297 16.592 -2.058 20 HG11 VAL 3 1HG1 VAL 3 -9.542 16.633 -0.908 21 HG12 VAL 3 2HG1 VAL 3 -8.747 16.511 0.670 22 HG13 VAL 3 3HG1 VAL 3 -8.468 17.926 -0.368 23 HG21 VAL 3 3HG2 VAL 3 -6.132 16.133 0.765 24 HG22 VAL 3 1HG2 VAL 3 -5.213 16.121 -0.758 25 HG23 VAL 3 2HG2 VAL 3 -6.017 17.611 -0.217 26 H LYS 4 H LYS 4 -6.166 12.585 -0.675 27 HA LYS 4 HA LYS 4 -7.461 12.113 2.060 28 HB2 LYS 4 1HB LYS 4 -8.683 10.880 0.159 29 HB3 LYS 4 2HB LYS 4 -7.227 9.918 -0.110 30 HG2 LYS 4 1HG LYS 4 -7.346 9.072 2.278 31 HG3 LYS 4 2HG LYS 4 -8.735 10.127 2.590 32 HD2 LYS 4 1HD LYS 4 -10.101 8.911 0.864 33 HD3 LYS 4 2HD LYS 4 -8.729 7.857 0.487 34 HE2 LYS 4 1HE LYS 4 -8.689 6.987 2.860 35 HE3 LYS 4 2HE LYS 4 -9.985 8.089 3.325 36 HZ1 LYS 4 3HZ LYS 4 -10.353 6.028 1.143 37 HZ2 LYS 4 1HZ LYS 4 -10.787 5.751 2.704 38 HZ3 LYS 4 2HZ LYS 4 -11.533 6.928 1.837 39 H GLN 5 H GLN 5 -5.842 12.033 3.452 40 HA GLN 5 HA GLN 5 -3.113 11.391 2.903 41 HB2 GLN 5 1HB GLN 5 -4.720 11.550 5.530 42 HB3 GLN 5 2HB GLN 5 -3.043 11.087 5.559 43 HG2 GLN 5 1HG GLN 5 -2.989 13.359 5.977 44 HG3 GLN 5 2HG GLN 5 -2.328 13.147 4.368 45 HE21 GLN 5 1HE2 GLN 5 -2.691 15.410 4.191 46 HE22 GLN 5 2HE2 GLN 5 -4.403 16.047 3.870 47 H LYS 6 H LYS 6 -1.889 9.776 4.358 48 HA LYS 6 HA LYS 6 -2.278 7.470 2.543 49 HB2 LYS 6 1HB LYS 6 0.096 8.094 4.395 50 HB3 LYS 6 2HB LYS 6 0.126 6.978 3.053 51 HG2 LYS 6 1HG LYS 6 -0.047 10.038 2.938 52 HG3 LYS 6 2HG LYS 6 1.306 8.994 2.575 53 HD2 LYS 6 1HD LYS 6 0.664 9.775 0.596 54 HD3 LYS 6 2HD LYS 6 0.174 8.123 0.556 55 HE2 LYS 6 1HE LYS 6 -2.236 8.699 0.690 56 HE3 LYS 6 2HE LYS 6 -1.897 10.324 1.205 57 HZ1 LYS 6 3HZ LYS 6 -1.013 10.913 -0.917 58 HZ2 LYS 6 1HZ LYS 6 -0.742 9.394 -1.419 59 HZ3 LYS 6 2HZ LYS 6 -2.293 10.029 -1.352 60 H SER 7 H SER 7 -1.693 5.317 3.018 61 HA SER 7 HA SER 7 -2.294 4.312 5.838 62 HB2 SER 7 1HB SER 7 -4.478 4.260 4.524 63 HB3 SER 7 2HB SER 7 -3.725 3.225 3.308 64 HG SER 7 HG SER 7 -4.117 2.654 6.076 65 H GLU 8 H GLU 8 -0.282 3.475 6.186 66 HA GLU 8 HA GLU 8 0.846 1.454 4.166 67 HB2 GLU 8 1HB GLU 8 2.330 2.861 6.456 68 HB3 GLU 8 2HB GLU 8 2.940 1.521 5.500 69 HG2 GLU 8 1HG GLU 8 2.328 3.173 3.382 70 HG3 GLU 8 2HG GLU 8 2.406 4.404 4.628 71 H ILE 9 H ILE 9 -0.092 -0.444 4.544 72 HA ILE 9 HA ILE 9 -0.462 -1.387 7.451 73 HB ILE 9 HB ILE 9 -2.019 -2.251 4.967 74 HG12 ILE 9 1HG1 ILE 9 -2.712 0.024 5.512 75 HG13 ILE 9 2HG1 ILE 9 -3.989 -1.123 5.821 76 HG21 ILE 9 1HG2 ILE 9 -1.958 -4.126 6.494 77 HG22 ILE 9 2HG2 ILE 9 -2.480 -3.128 7.864 78 HG23 ILE 9 3HG2 ILE 9 -3.579 -3.432 6.477 79 HD11 ILE 9 3HD1 ILE 9 -2.228 0.225 7.988 80 HD12 ILE 9 1HD1 ILE 9 -3.924 0.579 7.611 81 HD13 ILE 9 2HD1 ILE 9 -3.494 -0.976 8.339 82 H THR 10 H THR 10 0.200 -3.274 8.023 83 HA THR 10 HA THR 10 2.434 -4.614 6.770 84 HB THR 10 HB THR 10 2.022 -4.327 9.199 85 HG1 THR 10 HG1 THR 10 2.203 -6.979 9.230 86 HG21 THR 10 3HG2 THR 10 0.675 -6.025 10.476 87 HG22 THR 10 1HG2 THR 10 -0.378 -4.994 9.493 88 HG23 THR 10 2HG2 THR 10 -0.028 -6.645 8.963 89 H ALA 11 H ALA 11 2.650 -6.942 6.525 90 HA ALA 11 HA ALA 11 1.011 -7.914 4.361 91 HB1 ALA 11 3HB ALA 11 2.510 -9.995 4.582 92 HB2 ALA 11 1HB ALA 11 3.396 -8.470 4.511 93 HB3 ALA 11 2HB ALA 11 3.181 -9.307 6.075 94 H LEU 12 H LEU 12 -0.650 -9.222 4.203 95 HA LEU 12 HA LEU 12 -1.666 -10.814 6.593 96 HB2 LEU 12 1HB LEU 12 -3.050 -9.325 4.276 97 HB3 LEU 12 2HB LEU 12 -3.783 -10.776 4.828 98 HG LEU 12 HG LEU 12 -4.793 -8.812 5.812 99 HD11 LEU 12 1HD1 LEU 12 -4.972 -9.586 8.137 100 HD12 LEU 12 2HD1 LEU 12 -4.883 -10.990 7.056 101 HD13 LEU 12 3HD1 LEU 12 -3.467 -10.516 8.020 102 HD21 LEU 12 3HD2 LEU 12 -3.721 -7.407 7.541 103 HD22 LEU 12 1HD2 LEU 12 -2.191 -8.290 7.393 104 HD23 LEU 12 2HD2 LEU 12 -2.775 -7.303 6.043 105 H VAL 13 H VAL 13 -2.402 -12.864 6.134 106 HA VAL 13 HA VAL 13 -0.902 -14.552 4.237 107 HB VAL 13 HB VAL 13 -2.559 -16.358 4.931 108 HG11 VAL 13 1HG1 VAL 13 -0.960 -15.014 7.186 109 HG12 VAL 13 2HG1 VAL 13 -1.550 -16.692 7.167 110 HG13 VAL 13 3HG1 VAL 13 -0.347 -16.166 5.981 111 HG21 VAL 13 3HG2 VAL 13 -3.604 -14.318 7.010 112 HG22 VAL 13 1HG2 VAL 13 -4.535 -15.009 5.676 113 HG23 VAL 13 2HG2 VAL 13 -3.941 -16.048 6.988 114 H LYS 14 H LYS 14 -1.548 -15.511 2.350 115 HA LYS 14 HA LYS 14 -3.421 -13.925 0.684 116 HB2 LYS 14 1HB LYS 14 -1.261 -14.998 -0.112 117 HB3 LYS 14 2HB LYS 14 -1.992 -16.576 0.082 118 HG2 LYS 14 1HG LYS 14 -3.849 -15.451 -1.653 119 HG3 LYS 14 2HG LYS 14 -2.505 -14.395 -2.007 120 HD2 LYS 14 1HD LYS 14 -1.092 -16.296 -2.710 121 HD3 LYS 14 2HD LYS 14 -2.204 -17.484 -2.050 122 HE2 LYS 14 1HE LYS 14 -3.063 -15.533 -4.303 123 HE3 LYS 14 2HE LYS 14 -2.209 -17.030 -4.652 124 HZ1 LYS 14 3HZ LYS 14 -4.817 -17.141 -4.595 125 HZ2 LYS 14 1HZ LYS 14 -4.015 -18.350 -3.824 126 HZ3 LYS 14 2HZ LYS 14 -4.719 -17.158 -2.956 127 H GLU 15 H GLU 15 -5.412 -14.325 0.043 128 HA GLU 15 HA GLU 15 -7.296 -16.120 1.116 129 HB2 GLU 15 1HB GLU 15 -7.258 -14.838 -1.701 130 HB3 GLU 15 2HB GLU 15 -8.667 -15.451 -0.863 131 HG2 GLU 15 1HG GLU 15 -8.880 -13.185 -0.508 132 HG3 GLU 15 2HG GLU 15 -8.203 -13.686 1.023 133 H VAL 16 H VAL 16 -7.686 -18.214 0.874 134 HA VAL 16 HA VAL 16 -6.959 -19.814 -1.621 135 HB VAL 16 HB VAL 16 -6.131 -20.597 1.262 136 HG11 VAL 16 1HG1 VAL 16 -5.080 -22.632 0.304 137 HG12 VAL 16 2HG1 VAL 16 -6.804 -22.655 -0.029 138 HG13 VAL 16 3HG1 VAL 16 -5.666 -22.231 -1.335 139 HG21 VAL 16 3HG2 VAL 16 -4.433 -19.006 0.260 140 HG22 VAL 16 1HG2 VAL 16 -3.767 -20.630 0.427 141 HG23 VAL 16 2HG2 VAL 16 -4.289 -20.041 -1.174 142 H THR 17 H THR 17 -8.552 -21.324 -2.087 143 HA THR 17 HA THR 17 -11.079 -21.135 -0.567 144 HB THR 17 HB THR 17 -10.559 -22.943 -3.002 145 HG1 THR 17 HG1 THR 17 -11.789 -20.461 -3.127 146 HG21 THR 17 3HG2 THR 17 -12.774 -23.367 -1.821 147 HG22 THR 17 1HG2 THR 17 -13.157 -21.639 -1.923 148 HG23 THR 17 2HG2 THR 17 -12.996 -22.612 -3.405 149 HA PRO 18 HA PRO 18 -10.501 -25.657 0.980 150 HB2 PRO 18 1HB PRO 18 -8.182 -27.125 0.556 151 HB3 PRO 18 2HB PRO 18 -9.494 -27.023 -0.638 152 HG2 PRO 18 1HG PRO 18 -6.939 -25.298 -0.544 153 HG3 PRO 18 2HG PRO 18 -7.516 -26.273 -1.921 154 HD2 PRO 18 1HD PRO 18 -8.080 -23.577 -1.719 155 HD3 PRO 18 2HD PRO 18 -9.301 -24.669 -2.397 156 HA PRO 19 HA PRO 19 -8.718 -23.959 4.594 157 HB2 PRO 19 1HB PRO 19 -8.659 -25.962 6.501 158 HB3 PRO 19 2HB PRO 19 -10.140 -25.396 5.695 159 HG2 PRO 19 1HG PRO 19 -8.392 -27.806 4.859 160 HG3 PRO 19 2HG PRO 19 -10.136 -27.841 5.241 161 HD2 PRO 19 1HD PRO 19 -9.301 -27.604 2.634 162 HD3 PRO 19 2HD PRO 19 -10.694 -26.619 3.193 163 H ARG 20 H ARG 20 -6.682 -23.632 3.309 164 HA ARG 20 HA ARG 20 -4.341 -24.137 5.168 165 HB2 ARG 20 1HB ARG 20 -4.844 -25.370 2.495 166 HB3 ARG 20 2HB ARG 20 -3.440 -24.379 2.357 167 HG2 ARG 20 1HG ARG 20 -2.143 -25.670 3.853 168 HG3 ARG 20 2HG ARG 20 -3.513 -26.120 4.850 169 HD2 ARG 20 1HD ARG 20 -2.932 -28.164 3.838 170 HD3 ARG 20 2HD ARG 20 -4.406 -27.656 3.081 171 HE ARG 20 HE ARG 20 -3.224 -27.075 0.986 172 HH11 ARG 20 2HH2 ARG 20 -1.100 -28.559 3.312 173 HH12 ARG 20 1HH2 ARG 20 0.082 -29.054 2.009 174 HH21 ARG 20 2HH1 ARG 20 -1.872 -27.653 -0.450 175 HH22 ARG 20 1HH1 ARG 20 -0.349 -28.542 -0.011 176 H LYS 21 H LYS 21 -2.689 -22.668 5.109 177 HA LYS 21 HA LYS 21 -3.459 -19.981 3.866 178 HB2 LYS 21 1HB LYS 21 -2.181 -20.644 6.580 179 HB3 LYS 21 2HB LYS 21 -2.240 -19.019 5.949 180 HG2 LYS 21 1HG LYS 21 -4.755 -20.744 6.530 181 HG3 LYS 21 2HG LYS 21 -4.006 -19.611 7.621 182 HD2 LYS 21 1HD LYS 21 -5.520 -18.154 6.842 183 HD3 LYS 21 2HD LYS 21 -4.295 -17.838 5.623 184 HE2 LYS 21 1HE LYS 21 -5.567 -19.546 4.070 185 HE3 LYS 21 2HE LYS 21 -6.784 -19.661 5.328 186 HZ1 LYS 21 3HZ LYS 21 -7.017 -17.135 5.160 187 HZ2 LYS 21 1HZ LYS 21 -5.989 -17.122 3.877 188 HZ3 LYS 21 2HZ LYS 21 -7.442 -17.884 3.764 189 H ALA 22 H ALA 22 -2.156 -19.179 2.433 190 HA ALA 22 HA ALA 22 0.649 -20.248 2.100 191 HB1 ALA 22 3HB ALA 22 -1.052 -18.457 0.279 192 HB2 ALA 22 1HB ALA 22 0.576 -19.041 -0.096 193 HB3 ALA 22 2HB ALA 22 -0.756 -20.193 0.120 194 HA PRO 23 HA PRO 23 2.002 -16.409 4.302 195 HB2 PRO 23 1HB PRO 23 4.668 -16.968 4.698 196 HB3 PRO 23 2HB PRO 23 3.346 -17.855 5.490 197 HG2 PRO 23 1HG PRO 23 4.822 -18.687 2.906 198 HG3 PRO 23 2HG PRO 23 4.636 -19.661 4.391 199 HD2 PRO 23 1HD PRO 23 2.887 -19.967 2.287 200 HD3 PRO 23 2HD PRO 23 2.265 -20.022 3.971 201 H SER 24 H SER 24 1.386 -15.321 2.410 202 HA SER 24 HA SER 24 3.225 -14.604 0.251 203 HB2 SER 24 1HB SER 24 0.895 -14.857 -0.134 204 HB3 SER 24 2HB SER 24 0.427 -13.640 1.075 205 HG SER 24 HG SER 24 1.260 -13.311 -1.532 206 H LYS 25 H LYS 25 4.207 -12.741 -0.247 207 HA LYS 25 HA LYS 25 4.841 -10.710 1.913 208 HB2 LYS 25 1HB LYS 25 5.943 -11.101 -0.922 209 HB3 LYS 25 2HB LYS 25 6.138 -9.584 -0.084 210 HG2 LYS 25 1HG LYS 25 8.121 -10.806 0.322 211 HG3 LYS 25 2HG LYS 25 7.264 -10.632 1.849 212 HD2 LYS 25 1HD LYS 25 6.383 -13.026 1.591 213 HD3 LYS 25 2HD LYS 25 7.300 -13.178 0.089 214 HE2 LYS 25 1HE LYS 25 9.466 -12.779 1.409 215 HE3 LYS 25 2HE LYS 25 8.517 -12.563 2.888 216 HZ1 LYS 25 3HZ LYS 25 8.592 -15.091 1.226 217 HZ2 LYS 25 1HZ LYS 25 9.184 -14.934 2.758 218 HZ3 LYS 25 2HZ LYS 25 7.560 -14.878 2.478 219 H ALA 26 H ALA 26 3.003 -9.732 2.318 220 HA ALA 26 HA ALA 26 1.404 -8.376 0.128 221 HB1 ALA 26 3HB ALA 26 -0.404 -8.461 1.985 222 HB2 ALA 26 1HB ALA 26 0.142 -10.021 1.351 223 HB3 ALA 26 2HB ALA 26 0.733 -9.478 2.905 224 H LYS 27 H LYS 27 1.242 -6.311 0.030 225 HA LYS 27 HA LYS 27 1.879 -4.473 2.412 226 HB2 LYS 27 1HB LYS 27 3.337 -4.597 -0.323 227 HB3 LYS 27 2HB LYS 27 3.094 -3.086 0.472 228 HG2 LYS 27 1HG LYS 27 5.010 -3.353 1.423 229 HG3 LYS 27 2HG LYS 27 4.112 -4.219 2.640 230 HD2 LYS 27 1HD LYS 27 4.683 -6.295 0.796 231 HD3 LYS 27 2HD LYS 27 6.021 -5.210 0.472 232 HE2 LYS 27 1HE LYS 27 5.221 -6.583 3.125 233 HE3 LYS 27 2HE LYS 27 6.618 -6.974 2.118 234 HZ1 LYS 27 3HZ LYS 27 7.269 -5.535 4.091 235 HZ2 LYS 27 1HZ LYS 27 7.575 -4.715 2.688 236 HZ3 LYS 27 2HZ LYS 27 6.258 -4.347 3.576 237 H ARG 28 H ARG 28 0.672 -2.713 2.538 238 HA ARG 28 HA ARG 28 -1.231 -1.994 0.260 239 HB2 ARG 28 1HB ARG 28 -2.237 -1.550 3.076 240 HB3 ARG 28 2HB ARG 28 -3.077 -1.544 1.567 241 HG2 ARG 28 1HG ARG 28 -2.713 -4.122 1.439 242 HG3 ARG 28 2HG ARG 28 -2.000 -4.037 3.046 243 HD2 ARG 28 1HD ARG 28 -4.162 -3.145 4.008 244 HD3 ARG 28 2HD ARG 28 -4.891 -3.147 2.385 245 HE ARG 28 HE ARG 28 -3.705 -5.805 3.164 246 HH11 ARG 28 2HH2 ARG 28 -6.635 -3.936 3.332 247 HH12 ARG 28 1HH2 ARG 28 -7.648 -5.448 3.530 248 HH21 ARG 28 2HH1 ARG 28 -4.905 -7.481 3.389 249 HH22 ARG 28 1HH1 ARG 28 -6.703 -7.323 3.579 250 H GLU 29 H GLU 29 -0.559 0.030 -0.328 251 HA GLU 29 HA GLU 29 0.451 1.984 1.723 252 HB2 GLU 29 1HB GLU 29 2.426 1.262 -0.511 253 HB3 GLU 29 2HB GLU 29 2.481 2.662 0.527 254 HG2 GLU 29 1HG GLU 29 3.911 1.379 1.718 255 HG3 GLU 29 2HG GLU 29 2.462 0.941 2.573 256 H ALA 30 H ALA 30 -0.199 3.905 1.237 257 HA ALA 30 HA ALA 30 -0.902 4.742 -1.593 258 HB1 ALA 30 3HB ALA 30 -1.174 6.083 1.154 259 HB2 ALA 30 1HB ALA 30 -1.600 6.877 -0.352 260 HB3 ALA 30 2HB ALA 30 -2.470 5.408 0.133 261 HA PRO 31 HA PRO 31 2.884 7.426 -1.681 262 HB2 PRO 31 1HB PRO 31 3.770 6.986 -4.160 263 HB3 PRO 31 2HB PRO 31 3.781 5.704 -2.961 264 HG2 PRO 31 1HG PRO 31 1.601 6.191 -5.110 265 HG3 PRO 31 2HG PRO 31 2.510 4.677 -4.887 266 HD2 PRO 31 1HD PRO 31 0.011 5.180 -3.710 267 HD3 PRO 31 2HD PRO 31 1.220 4.108 -2.941 268 H ILE 32 H ILE 32 2.515 8.371 -4.775 269 HA ILE 32 HA ILE 32 1.134 10.902 -3.882 270 HB ILE 32 HB ILE 32 2.189 11.947 -5.946 271 HG12 ILE 32 1HG1 ILE 32 4.024 9.514 -6.009 272 HG13 ILE 32 2HG1 ILE 32 2.757 9.752 -7.181 273 HG21 ILE 32 1HG2 ILE 32 2.988 12.117 -3.555 274 HG22 ILE 32 2HG2 ILE 32 4.172 10.815 -3.875 275 HG23 ILE 32 3HG2 ILE 32 4.253 12.373 -4.723 276 HD11 ILE 32 3HD1 ILE 32 3.855 11.659 -8.190 277 HD12 ILE 32 1HD1 ILE 32 4.832 11.998 -6.783 278 HD13 ILE 32 2HD1 ILE 32 5.214 10.590 -7.753 279 H LYS 33 H LYS 33 -0.583 11.721 -4.758 280 HA LYS 33 HA LYS 33 -2.198 10.307 -6.825 281 HB2 LYS 33 1HB LYS 33 -3.033 11.530 -4.734 282 HB3 LYS 33 2HB LYS 33 -2.689 13.053 -5.514 283 HG2 LYS 33 1HG LYS 33 -4.993 12.794 -5.885 284 HG3 LYS 33 2HG LYS 33 -4.333 12.266 -7.416 285 HD2 LYS 33 1HD LYS 33 -5.865 10.650 -7.068 286 HD3 LYS 33 2HD LYS 33 -4.444 9.816 -6.498 287 HE2 LYS 33 1HE LYS 33 -6.932 10.775 -5.056 288 HE3 LYS 33 2HE LYS 33 -6.144 9.218 -5.007 289 HZ1 LYS 33 3HZ LYS 33 -5.975 10.634 -2.876 290 HZ2 LYS 33 1HZ LYS 33 -4.464 10.158 -3.407 291 HZ3 LYS 33 2HZ LYS 33 -4.997 11.677 -3.590 292 H TYR 34 H TYR 34 0.095 12.792 -7.044 293 HA TYR 34 HA TYR 34 -0.662 13.995 -9.667 294 HB2 TYR 34 1HB TYR 34 0.933 14.970 -7.907 295 HB3 TYR 34 2HB TYR 34 2.108 13.743 -8.328 296 HD1 TYR 34 HD1 TYR 34 0.223 16.726 -9.663 297 HD2 TYR 34 HD2 TYR 34 3.558 14.070 -10.273 298 HE1 TYR 34 HE1 TYR 34 1.121 18.235 -11.400 299 HE2 TYR 34 HE2 TYR 34 4.451 15.584 -11.984 300 HH TYR 34 HH TYR 34 3.767 17.384 -13.420 301 H TRP 35 H TRP 35 1.203 11.095 -8.845 302 HA TRP 35 HA TRP 35 1.773 10.533 -11.798 303 HB2 TRP 35 1HB TRP 35 3.597 10.301 -10.038 304 HB3 TRP 35 2HB TRP 35 2.729 8.943 -9.335 305 HD1 TRP 35 HD1 TRP 35 2.898 6.522 -10.742 306 HE1 TRP 35 HE1 TRP 35 4.567 5.605 -12.529 307 HE3 TRP 35 HE3 TRP 35 4.809 11.078 -12.206 308 HZ2 TRP 35 HZ2 TRP 35 6.447 6.813 -14.277 309 HZ3 TRP 35 HZ3 TRP 35 6.569 11.097 -13.959 310 HH2 TRP 35 HH2 TRP 35 7.371 9.013 -14.970 311 H LEU 36 H LEU 36 0.125 8.860 -8.992 312 HA LEU 36 HA LEU 36 -1.387 7.206 -11.040 313 HB2 LEU 36 1HB LEU 36 -1.784 5.545 -9.234 314 HB3 LEU 36 2HB LEU 36 -0.247 5.578 -10.039 315 HG LEU 36 HG LEU 36 -0.388 7.089 -7.383 316 HD11 LEU 36 1HD1 LEU 36 -0.036 4.929 -6.126 317 HD12 LEU 36 2HD1 LEU 36 -1.622 4.967 -6.901 318 HD13 LEU 36 3HD1 LEU 36 -0.320 3.997 -7.610 319 HD21 LEU 36 3HD2 LEU 36 1.952 6.522 -7.295 320 HD22 LEU 36 1HD2 LEU 36 1.786 5.174 -8.450 321 HD23 LEU 36 2HD2 LEU 36 1.636 6.848 -9.009 322 HA PRO 37 HA PRO 37 -4.906 9.557 -9.290 323 HB2 PRO 37 1HB PRO 37 -7.076 8.352 -10.573 324 HB3 PRO 37 2HB PRO 37 -5.906 9.428 -11.361 325 HG2 PRO 37 1HG PRO 37 -5.866 6.353 -11.326 326 HG3 PRO 37 2HG PRO 37 -5.740 7.418 -12.748 327 HD2 PRO 37 1HD PRO 37 -3.489 6.354 -11.539 328 HD3 PRO 37 2HD PRO 37 -3.444 8.011 -12.221 329 H HIS 38 H HIS 38 -4.586 6.199 -8.616 330 HA HIS 38 HA HIS 38 -6.343 6.577 -6.100 331 HB2 HIS 38 1HB HIS 38 -7.219 4.940 -7.829 332 HB3 HIS 38 2HB HIS 38 -5.741 4.004 -7.717 333 HD1 HIS 38 HD1 HIS 38 -5.284 2.654 -5.376 334 HD2 HIS 38 HD2 HIS 38 -9.132 4.492 -5.843 335 HE1 HIS 38 HE1 HIS 38 -7.003 1.495 -3.817 336 HE2 HIS 38 HE2 HIS 38 -9.358 2.530 -4.051 337 H SER 39 H SER 39 -4.475 7.500 -5.068 338 HA SER 39 HA SER 39 -2.086 5.863 -4.486 339 HB2 SER 39 1HB SER 39 -3.123 8.261 -2.864 340 HB3 SER 39 2HB SER 39 -1.507 7.550 -2.818 341 HG SER 39 HG SER 39 -1.612 7.994 -5.256 342 H GLY 40 H GLY 40 -2.460 3.952 -3.584 343 HA2 GLY 40 1HA GLY 40 -2.637 3.167 -1.024 344 HA3 GLY 40 2HA GLY 40 -4.324 3.602 -1.165 345 H ALA 41 H ALA 41 -1.822 1.473 -2.404 346 HA ALA 41 HA ALA 41 -3.984 -0.377 -3.588 347 HB1 ALA 41 3HB ALA 41 -2.373 -0.937 -5.352 348 HB2 ALA 41 1HB ALA 41 -2.531 0.831 -5.265 349 HB3 ALA 41 2HB ALA 41 -1.089 0.032 -4.593 350 H THR 42 H THR 42 -4.059 -2.403 -3.012 351 HA THR 42 HA THR 42 -2.018 -3.619 -1.144 352 HB THR 42 HB THR 42 -4.277 -3.711 -0.408 353 HG1 THR 42 HG1 THR 42 -3.603 -6.331 -1.120 354 HG21 THR 42 3HG2 THR 42 -5.609 -4.059 -2.572 355 HG22 THR 42 1HG2 THR 42 -4.968 -5.706 -2.667 356 HG23 THR 42 2HG2 THR 42 -5.976 -5.224 -1.288 357 H TRP 43 H TRP 43 -0.484 -4.900 -1.876 358 HA TRP 43 HA TRP 43 -0.970 -6.601 -4.405 359 HB2 TRP 43 1HB TRP 43 0.652 -4.588 -4.749 360 HB3 TRP 43 2HB TRP 43 1.791 -5.431 -3.695 361 HD1 TRP 43 HD1 TRP 43 1.316 -8.555 -5.060 362 HE1 TRP 43 HE1 TRP 43 2.349 -9.102 -7.389 363 HE3 TRP 43 HE3 TRP 43 1.900 -3.684 -6.681 364 HZ2 TRP 43 HZ2 TRP 43 3.297 -7.547 -9.553 365 HZ3 TRP 43 HZ3 TRP 43 2.989 -3.316 -8.875 366 HH2 TRP 43 HH2 TRP 43 3.693 -5.210 -10.274 367 H SER 44 H SER 44 -1.298 -8.548 -3.518 368 HA SER 44 HA SER 44 0.540 -9.639 -1.345 369 HB2 SER 44 1HB SER 44 -1.138 -11.380 -1.026 370 HB3 SER 44 2HB SER 44 -1.786 -9.750 -0.825 371 HG SER 44 HG SER 44 -3.173 -11.121 -2.051 372 H GLY 45 H GLY 45 2.383 -10.232 -2.330 373 HA2 GLY 45 1HA GLY 45 2.903 -12.755 -3.347 374 HA3 GLY 45 2HA GLY 45 2.350 -12.004 -4.835 375 H ARG 46 H ARG 46 3.471 -9.961 -5.396 376 HA ARG 46 HA ARG 46 6.478 -10.236 -5.219 377 HB2 ARG 46 1HB ARG 46 5.392 -9.680 -7.372 378 HB3 ARG 46 2HB ARG 46 4.647 -8.256 -6.692 379 HG2 ARG 46 1HG ARG 46 7.695 -8.345 -6.567 380 HG3 ARG 46 2HG ARG 46 6.954 -8.292 -8.155 381 HD2 ARG 46 1HD ARG 46 5.561 -6.249 -7.387 382 HD3 ARG 46 2HD ARG 46 6.481 -6.198 -5.907 383 HE ARG 46 HE ARG 46 7.449 -5.565 -8.722 384 HH11 ARG 46 2HH2 ARG 46 8.465 -5.960 -5.401 385 HH12 ARG 46 1HH2 ARG 46 10.035 -5.099 -5.726 386 HH21 ARG 46 2HH1 ARG 46 9.231 -4.586 -9.029 387 HH22 ARG 46 1HH1 ARG 46 10.430 -4.369 -7.683 388 H GLY 47 H GLY 47 7.697 -9.033 -3.950 389 HA2 GLY 47 1HA GLY 47 6.539 -7.468 -1.675 390 HA3 GLY 47 2HA GLY 47 8.240 -7.767 -1.951 391 H LYS 48 H LYS 48 5.585 -5.830 -3.278 392 HA LYS 48 HA LYS 48 7.432 -3.592 -4.034 393 HB2 LYS 48 1HB LYS 48 5.605 -2.402 -4.902 394 HB3 LYS 48 2HB LYS 48 5.426 -4.074 -5.353 395 HG2 LYS 48 1HG LYS 48 3.267 -3.843 -4.747 396 HG3 LYS 48 2HG LYS 48 3.844 -4.156 -3.134 397 HD2 LYS 48 1HD LYS 48 4.151 -1.362 -3.195 398 HD3 LYS 48 2HD LYS 48 2.889 -1.548 -4.424 399 HE2 LYS 48 1HE LYS 48 1.600 -3.042 -2.651 400 HE3 LYS 48 2HE LYS 48 2.916 -2.642 -1.550 401 HZ1 LYS 48 3HZ LYS 48 1.903 -0.767 -0.988 402 HZ2 LYS 48 1HZ LYS 48 1.809 -0.175 -2.509 403 HZ3 LYS 48 2HZ LYS 48 0.596 -1.147 -1.909 404 H ILE 49 H ILE 49 8.315 -2.226 -2.553 405 HA ILE 49 HA ILE 49 6.488 -1.076 -0.383 406 HB ILE 49 HB ILE 49 9.547 -1.291 -0.032 407 HG12 ILE 49 1HG1 ILE 49 8.818 -2.909 1.944 408 HG13 ILE 49 2HG1 ILE 49 7.343 -3.190 1.015 409 HG21 ILE 49 1HG2 ILE 49 8.276 0.553 1.194 410 HG22 ILE 49 2HG2 ILE 49 7.228 -0.666 1.946 411 HG23 ILE 49 3HG2 ILE 49 8.977 -0.622 2.316 412 HD11 ILE 49 3HD1 ILE 49 8.804 -4.147 -0.871 413 HD12 ILE 49 1HD1 ILE 49 10.248 -3.774 0.082 414 HD13 ILE 49 2HD1 ILE 49 9.074 -4.974 0.661 415 HA PRO 50 HA PRO 50 7.940 2.399 -3.126 416 HB2 PRO 50 1HB PRO 50 5.892 4.223 -2.745 417 HB3 PRO 50 2HB PRO 50 5.601 2.649 -3.519 418 HG2 PRO 50 1HG PRO 50 5.185 3.351 -0.534 419 HG3 PRO 50 2HG PRO 50 3.981 2.661 -1.650 420 HD2 PRO 50 1HD PRO 50 5.554 1.074 0.035 421 HD3 PRO 50 2HD PRO 50 5.027 0.480 -1.568 422 H LYS 51 H LYS 51 9.236 2.082 -0.789 423 HA LYS 51 HA LYS 51 9.643 4.732 0.557 424 HB2 LYS 51 1HB LYS 51 11.082 2.025 0.776 425 HB3 LYS 51 2HB LYS 51 11.769 3.441 1.535 426 HG2 LYS 51 1HG LYS 51 8.866 2.551 2.067 427 HG3 LYS 51 2HG LYS 51 10.239 1.916 2.966 428 HD2 LYS 51 1HD LYS 51 10.867 4.202 3.753 429 HD3 LYS 51 2HD LYS 51 9.597 4.949 2.806 430 HE2 LYS 51 1HE LYS 51 9.052 2.880 5.062 431 HE3 LYS 51 2HE LYS 51 9.104 4.623 5.302 432 HZ1 LYS 51 3HZ LYS 51 6.785 4.138 4.842 433 HZ2 LYS 51 1HZ LYS 51 7.295 4.754 3.435 434 HZ3 LYS 51 2HZ LYS 51 7.069 3.155 3.617 435 HA PRO 52 HA PRO 52 13.536 5.437 -2.186 436 HB2 PRO 52 1HB PRO 52 13.993 3.955 -4.493 437 HB3 PRO 52 2HB PRO 52 14.608 3.515 -2.885 438 HG2 PRO 52 1HG PRO 52 12.038 2.467 -4.229 439 HG3 PRO 52 2HG PRO 52 13.356 1.496 -3.526 440 HD2 PRO 52 1HD PRO 52 11.079 2.066 -2.095 441 HD3 PRO 52 2HD PRO 52 12.660 2.035 -1.257 442 H PHE 53 H PHE 53 10.446 4.647 -3.535 443 HA PHE 53 HA PHE 53 10.551 6.738 -5.723 444 HB2 PHE 53 1HB PHE 53 9.278 4.729 -6.189 445 HB3 PHE 53 2HB PHE 53 8.311 4.891 -4.739 446 HD1 PHE 53 HD2 PHE 53 9.092 6.712 -7.996 447 HD2 PHE 53 HD1 PHE 53 6.277 6.188 -4.781 448 HE1 PHE 53 HE2 PHE 53 7.389 7.954 -9.274 449 HE2 PHE 53 HE1 PHE 53 4.606 7.454 -6.045 450 HZ PHE 53 HZ PHE 53 5.130 8.300 -8.328 451 H GLU 54 H GLU 54 8.610 6.376 -2.643 452 HA GLU 54 HA GLU 54 7.726 9.198 -2.828 453 HB2 GLU 54 1HB GLU 54 6.412 7.312 -1.856 454 HB3 GLU 54 2HB GLU 54 7.492 7.236 -0.472 455 HG2 GLU 54 1HG GLU 54 6.772 9.499 0.275 456 HG3 GLU 54 2HG GLU 54 5.924 9.784 -1.241 457 H ALA 55 H ALA 55 10.585 7.831 -1.579 458 HA ALA 55 HA ALA 55 11.493 10.201 0.039 459 HB1 ALA 55 3HB ALA 55 13.719 9.043 -0.047 460 HB2 ALA 55 1HB ALA 55 12.457 7.987 0.596 461 HB3 ALA 55 2HB ALA 55 13.041 7.767 -1.072 462 H TRP 56 H TRP 56 12.321 8.896 -3.262 463 HA TRP 56 HA TRP 56 13.891 11.326 -3.958 464 HB2 TRP 56 1HB TRP 56 13.984 8.873 -5.003 465 HB3 TRP 56 2HB TRP 56 12.681 9.409 -6.047 466 HD1 TRP 56 HD1 TRP 56 13.620 12.264 -7.190 467 HE1 TRP 56 HE1 TRP 56 15.850 12.687 -8.504 468 HE3 TRP 56 HE3 TRP 56 16.133 8.074 -5.540 469 HZ2 TRP 56 HZ2 TRP 56 18.312 11.284 -8.717 470 HZ3 TRP 56 HZ3 TRP 56 18.431 7.679 -6.379 471 HH2 TRP 56 HH2 TRP 56 19.501 9.250 -7.930 472 H ILE 57 H ILE 57 10.532 10.340 -4.581 473 HA ILE 57 HA ILE 57 9.706 12.961 -5.784 474 HB ILE 57 HB ILE 57 8.251 10.521 -4.639 475 HG12 ILE 57 1HG1 ILE 57 9.239 10.110 -6.802 476 HG13 ILE 57 2HG1 ILE 57 7.498 10.074 -6.844 477 HG21 ILE 57 1HG2 ILE 57 6.646 12.781 -5.849 478 HG22 ILE 57 2HG2 ILE 57 6.145 11.195 -5.151 479 HG23 ILE 57 3HG2 ILE 57 6.781 12.463 -4.128 480 HD11 ILE 57 3HD1 ILE 57 7.484 12.402 -7.936 481 HD12 ILE 57 1HD1 ILE 57 9.263 12.367 -7.941 482 HD13 ILE 57 2HD1 ILE 57 8.344 11.167 -8.871 483 H GLY 58 H GLY 58 10.831 12.511 -2.745 484 HA2 GLY 58 1HA GLY 58 9.432 15.073 -1.816 485 HA3 GLY 58 2HA GLY 58 10.094 13.935 -0.657 486 H THR 59 H THR 59 12.618 13.405 -1.985 487 HA THR 59 HA THR 59 14.310 15.018 -0.622 488 HB THR 59 HB THR 59 14.994 14.105 -3.491 489 HG1 THR 59 HG1 THR 59 15.765 12.264 -2.333 490 HG21 THR 59 3HG2 THR 59 16.877 15.455 -2.421 491 HG22 THR 59 1HG2 THR 59 16.821 14.391 -1.004 492 HG23 THR 59 2HG2 THR 59 17.307 13.750 -2.591 493 H ALA 60 H ALA 60 13.335 15.955 -3.792 494 HA ALA 60 HA ALA 60 13.884 18.882 -3.154 495 HB1 ALA 60 3HB ALA 60 14.527 17.706 -5.954 496 HB2 ALA 60 1HB ALA 60 14.691 19.407 -5.461 497 HB3 ALA 60 2HB ALA 60 15.737 18.176 -4.735 498 H ALA 61 H ALA 61 11.796 16.589 -4.774 499 HA ALA 61 HA ALA 61 10.002 18.589 -5.995 500 HB1 ALA 61 3HB ALA 61 8.538 16.550 -6.362 501 HB2 ALA 61 1HB ALA 61 10.220 16.316 -6.904 502 HB3 ALA 61 2HB ALA 61 9.669 15.601 -5.374 503 H TYR 62 H TYR 62 10.108 17.384 -2.790 504 HA TYR 62 HA TYR 62 7.375 17.638 -1.895 505 HB2 TYR 62 1HB TYR 62 9.365 16.827 -0.496 506 HB3 TYR 62 2HB TYR 62 9.865 18.476 -0.286 507 HD1 TYR 62 HD1 TYR 62 6.647 16.436 0.056 508 HD2 TYR 62 HD2 TYR 62 9.276 19.305 1.897 509 HE1 TYR 62 HE1 TYR 62 5.226 16.452 2.065 510 HE2 TYR 62 HE2 TYR 62 7.841 19.318 3.898 511 HH TYR 62 HH TYR 62 4.869 17.380 4.093 512 H THR 63 H THR 63 9.681 20.341 -2.259 513 HA THR 63 HA THR 63 7.798 22.402 -1.281 514 HB THR 63 HB THR 63 10.179 22.776 -1.222 515 HG1 THR 63 HG1 THR 63 8.612 24.541 -2.782 516 HG21 THR 63 3HG2 THR 63 11.490 23.548 -3.165 517 HG22 THR 63 1HG2 THR 63 11.041 21.850 -3.373 518 HG23 THR 63 2HG2 THR 63 10.193 23.108 -4.297 519 H ALA 64 H ALA 64 8.093 20.927 -4.416 520 HA ALA 64 HA ALA 64 6.145 22.907 -5.692 521 HB1 ALA 64 3HB ALA 64 6.469 21.481 -7.758 522 HB2 ALA 64 1HB ALA 64 8.000 22.140 -7.141 523 HB3 ALA 64 2HB ALA 64 7.597 20.432 -6.857 524 H TRP 65 H TRP 65 6.334 19.522 -4.624 525 HA TRP 65 HA TRP 65 3.582 18.757 -5.236 526 HB2 TRP 65 1HB TRP 65 5.876 17.417 -4.320 527 HB3 TRP 65 2HB TRP 65 4.945 17.485 -2.835 528 HD1 TRP 65 HD1 TRP 65 5.107 15.721 -6.263 529 HE1 TRP 65 HE1 TRP 65 3.215 13.940 -6.583 530 HE3 TRP 65 HE3 TRP 65 2.384 16.930 -2.064 531 HZ2 TRP 65 HZ2 TRP 65 0.776 13.392 -5.198 532 HZ3 TRP 65 HZ3 TRP 65 0.326 15.650 -1.588 533 HH2 TRP 65 HH2 TRP 65 -0.451 13.878 -3.135 534 H LYS 66 H LYS 66 4.911 20.189 -2.260 535 HA LYS 66 HA LYS 66 2.396 20.202 -0.723 536 HB2 LYS 66 1HB LYS 66 5.011 21.831 -0.560 537 HB3 LYS 66 2HB LYS 66 3.695 22.167 0.529 538 HG2 LYS 66 1HG LYS 66 4.887 19.334 0.245 539 HG3 LYS 66 2HG LYS 66 5.581 20.515 1.312 540 HD2 LYS 66 1HD LYS 66 2.626 19.626 1.444 541 HD3 LYS 66 2HD LYS 66 3.897 18.804 2.303 542 HE2 LYS 66 1HE LYS 66 4.479 20.820 3.642 543 HE3 LYS 66 2HE LYS 66 3.326 21.821 2.732 544 HZ1 LYS 66 3HZ LYS 66 2.600 19.438 4.426 545 HZ2 LYS 66 1HZ LYS 66 2.140 21.001 4.728 546 HZ3 LYS 66 2HZ LYS 66 1.545 20.165 3.418 547 H ALA 67 H ALA 67 3.627 22.534 -3.070 548 HA ALA 67 HA ALA 67 1.371 24.470 -2.709 549 HB1 ALA 67 3HB ALA 67 3.534 25.182 -3.715 550 HB2 ALA 67 1HB ALA 67 3.307 24.067 -5.085 551 HB3 ALA 67 2HB ALA 67 2.201 25.439 -4.856 552 H LYS 68 H LYS 68 1.883 21.620 -4.898 553 HA LYS 68 HA LYS 68 -0.776 21.969 -6.202 554 HB2 LYS 68 1HB LYS 68 1.058 19.505 -6.013 555 HB3 LYS 68 2HB LYS 68 -0.377 19.578 -7.016 556 HG2 LYS 68 1HG LYS 68 0.510 21.025 -8.610 557 HG3 LYS 68 2HG LYS 68 1.605 21.841 -7.498 558 HD2 LYS 68 1HD LYS 68 3.065 19.846 -7.325 559 HD3 LYS 68 2HD LYS 68 2.002 18.923 -8.401 560 HE2 LYS 68 1HE LYS 68 2.435 20.736 -10.234 561 HE3 LYS 68 2HE LYS 68 3.574 21.511 -9.119 562 HZ1 LYS 68 3HZ LYS 68 4.801 19.273 -9.053 563 HZ2 LYS 68 1HZ LYS 68 3.797 18.702 -10.224 564 HZ3 LYS 68 2HZ LYS 68 4.815 19.940 -10.561 565 H HIS 69 H HIS 69 0.268 19.880 -3.456 566 HA HIS 69 HA HIS 69 -2.658 19.550 -2.739 567 HB2 HIS 69 1HB HIS 69 -0.878 17.342 -3.761 568 HB3 HIS 69 2HB HIS 69 -1.441 16.985 -2.154 569 HD1 HIS 69 HD1 HIS 69 -3.269 15.198 -2.520 570 HD2 HIS 69 HD2 HIS 69 -3.595 18.559 -5.193 571 HE1 HIS 69 HE1 HIS 69 -5.470 15.091 -3.753 572 HE2 HIS 69 HE2 HIS 69 -5.830 17.130 -5.335 573 HA PRO 70 HA PRO 70 -1.373 21.107 0.874 574 HB2 PRO 70 1HB PRO 70 -3.238 20.394 2.843 575 HB3 PRO 70 2HB PRO 70 -3.582 21.361 1.396 576 HG2 PRO 70 1HG PRO 70 -3.939 18.294 1.673 577 HG3 PRO 70 2HG PRO 70 -5.167 19.489 1.170 578 HD2 PRO 70 1HD PRO 70 -3.732 18.135 -0.734 579 HD3 PRO 70 2HD PRO 70 -4.037 19.889 -0.960 580 H ASP 71 H ASP 71 -2.076 18.054 2.685 581 HA ASP 71 HA ASP 71 0.861 17.462 2.425 582 HB2 ASP 71 1HB ASP 71 0.285 18.612 4.766 583 HB3 ASP 71 2HB ASP 71 -0.456 17.094 5.191 584 H GLU 72 H GLU 72 -0.819 16.444 0.834 585 HA GLU 72 HA GLU 72 -2.095 13.981 1.757 586 HB2 GLU 72 1HB GLU 72 -2.525 15.376 -0.492 587 HB3 GLU 72 2HB GLU 72 -1.365 14.264 -1.184 588 HG2 GLU 72 1HG GLU 72 -2.986 12.426 0.125 589 HG3 GLU 72 2HG GLU 72 -4.143 13.706 -0.052 590 H LYS 73 H LYS 73 0.977 14.392 0.033 591 HA LYS 73 HA LYS 73 1.803 11.505 0.103 592 HB2 LYS 73 1HB LYS 73 2.520 13.191 -1.682 593 HB3 LYS 73 2HB LYS 73 3.427 14.070 -0.465 594 HG2 LYS 73 1HG LYS 73 4.616 11.623 -0.096 595 HG3 LYS 73 2HG LYS 73 3.850 11.248 -1.603 596 HD2 LYS 73 1HD LYS 73 5.942 11.882 -2.283 597 HD3 LYS 73 2HD LYS 73 5.070 13.377 -2.562 598 HE2 LYS 73 1HE LYS 73 7.117 14.041 -1.605 599 HE3 LYS 73 2HE LYS 73 5.971 14.235 -0.276 600 HZ1 LYS 73 3HZ LYS 73 6.754 12.130 0.716 601 HZ2 LYS 73 1HZ LYS 73 7.741 11.766 -0.577 602 HZ3 LYS 73 2HZ LYS 73 8.084 13.031 0.397 603 H PHE 74 H PHE 74 3.367 10.630 1.527 604 HA PHE 74 HA PHE 74 3.459 11.825 4.270 605 HB2 PHE 74 1HB PHE 74 3.252 9.285 3.704 606 HB3 PHE 74 2HB PHE 74 4.913 9.313 3.182 607 HD1 PHE 74 HD1 PHE 74 2.628 9.926 6.113 608 HD2 PHE 74 HD2 PHE 74 6.719 9.309 4.914 609 HE1 PHE 74 HE1 PHE 74 3.304 9.763 8.477 610 HE2 PHE 74 HE2 PHE 74 7.378 9.136 7.284 611 HZ PHE 74 HZ PHE 74 5.675 9.369 9.068 612 HA PRO 75 HA PRO 75 7.417 13.961 3.228 613 HB2 PRO 75 1HB PRO 75 8.179 14.921 5.709 614 HB3 PRO 75 2HB PRO 75 6.765 15.510 4.816 615 HG2 PRO 75 1HG PRO 75 6.790 13.343 7.014 616 HG3 PRO 75 2HG PRO 75 5.788 14.823 6.978 617 HD2 PRO 75 1HD PRO 75 4.793 12.418 6.092 618 HD3 PRO 75 2HD PRO 75 4.365 13.909 5.200 619 H ALA 76 H ALA 76 7.921 11.593 2.827 620 HA ALA 76 HA ALA 76 10.073 10.385 4.372 621 HB1 ALA 76 3HB ALA 76 9.121 9.903 1.466 622 HB2 ALA 76 1HB ALA 76 10.171 8.805 2.376 623 HB3 ALA 76 2HB ALA 76 8.507 9.102 2.930 624 H PHE 77 H PHE 77 12.138 10.694 4.376 625 HA PHE 77 HA PHE 77 13.602 12.271 2.219 626 HB2 PHE 77 1HB PHE 77 15.282 12.773 3.818 627 HB3 PHE 77 2HB PHE 77 13.773 13.035 4.617 628 HD1 PHE 77 HD2 PHE 77 12.987 11.326 6.415 629 HD2 PHE 77 HD1 PHE 77 16.896 11.075 4.608 630 HE1 PHE 77 HE2 PHE 77 13.744 9.827 8.221 631 HE2 PHE 77 HE1 PHE 77 17.626 9.570 6.409 632 HZ PHE 77 HZ PHE 77 16.052 8.930 8.213 633 HA PRO 78 HA PRO 78 15.645 8.388 0.913 634 HB2 PRO 78 1HB PRO 78 17.954 9.243 -0.312 635 HB3 PRO 78 2HB PRO 78 16.330 9.655 -0.908 636 HG2 PRO 78 1HG PRO 78 18.146 11.377 0.902 637 HG3 PRO 78 2HG PRO 78 17.392 11.877 -0.629 638 HD2 PRO 78 1HD PRO 78 16.235 12.427 1.832 639 HD3 PRO 78 2HD PRO 78 15.201 12.069 0.419 640 H GLY 79 H GLY 79 15.821 7.533 2.968 641 HA2 GLY 79 1HA GLY 79 18.538 7.610 4.399 642 HA3 GLY 79 2HA GLY 79 17.012 7.112 5.110 Start of MODEL 9 1 H1 PHE 1 1H PHE 1 -13.535 11.130 -1.683 2 H2 PHE 1 2H PHE 1 -14.719 12.133 -2.210 3 HA PHE 1 HA PHE 1 -13.211 13.356 -3.593 4 HB2 PHE 1 1HB PHE 1 -13.120 13.269 -0.583 5 HB3 PHE 1 2HB PHE 1 -11.637 13.910 -1.221 6 HD1 PHE 1 HD1 PHE 1 -11.685 15.913 -2.851 7 HD2 PHE 1 HD2 PHE 1 -15.169 14.658 -0.643 8 HE1 PHE 1 HE1 PHE 1 -12.705 18.130 -3.184 9 HE2 PHE 1 HE2 PHE 1 -16.173 16.879 -0.985 10 HZ PHE 1 HZ PHE 1 -14.947 18.620 -2.252 11 H ASN 2 H ASN 2 -11.352 13.568 -4.584 12 HA ASN 2 HA ASN 2 -9.378 11.394 -4.749 13 HB2 ASN 2 1HB ASN 2 -10.041 13.042 -6.598 14 HB3 ASN 2 2HB ASN 2 -9.146 14.302 -5.758 15 HD21 ASN 2 1HD2 ASN 2 -7.130 14.522 -6.694 16 HD22 ASN 2 2HD2 ASN 2 -6.236 13.136 -7.498 17 H VAL 3 H VAL 3 -9.294 14.461 -3.008 18 HA VAL 3 HA VAL 3 -6.502 14.166 -2.051 19 HB VAL 3 HB VAL 3 -7.518 16.348 -2.295 20 HG11 VAL 3 1HG1 VAL 3 -9.089 15.876 0.327 21 HG12 VAL 3 2HG1 VAL 3 -8.942 17.389 -0.587 22 HG13 VAL 3 3HG1 VAL 3 -9.819 16.018 -1.282 23 HG21 VAL 3 3HG2 VAL 3 -6.439 15.813 0.544 24 HG22 VAL 3 1HG2 VAL 3 -5.464 16.006 -0.934 25 HG23 VAL 3 2HG2 VAL 3 -6.434 17.364 -0.328 26 H LYS 4 H LYS 4 -5.994 12.426 -0.988 27 HA LYS 4 HA LYS 4 -7.511 11.595 1.530 28 HB2 LYS 4 1HB LYS 4 -8.179 10.407 -0.817 29 HB3 LYS 4 2HB LYS 4 -6.680 9.549 -0.604 30 HG2 LYS 4 1HG LYS 4 -8.064 8.059 0.392 31 HG3 LYS 4 2HG LYS 4 -7.651 8.927 1.840 32 HD2 LYS 4 1HD LYS 4 -10.156 9.463 0.073 33 HD3 LYS 4 2HD LYS 4 -10.097 8.305 1.372 34 HE2 LYS 4 1HE LYS 4 -10.953 9.892 2.696 35 HE3 LYS 4 2HE LYS 4 -9.311 10.476 2.872 36 HZ1 LYS 4 3HZ LYS 4 -11.289 11.478 0.798 37 HZ2 LYS 4 1HZ LYS 4 -10.882 12.299 2.164 38 HZ3 LYS 4 2HZ LYS 4 -9.783 12.105 0.962 39 H GLN 5 H GLN 5 -6.101 11.476 3.111 40 HA GLN 5 HA GLN 5 -3.232 11.368 2.970 41 HB2 GLN 5 1HB GLN 5 -5.285 10.713 5.179 42 HB3 GLN 5 2HB GLN 5 -3.600 10.528 5.510 43 HG2 GLN 5 1HG GLN 5 -4.262 13.231 4.282 44 HG3 GLN 5 2HG GLN 5 -5.088 12.888 5.777 45 HE21 GLN 5 1HE2 GLN 5 -2.141 13.993 4.529 46 HE22 GLN 5 2HE2 GLN 5 -1.290 14.024 6.140 47 H LYS 6 H LYS 6 -1.799 9.793 3.931 48 HA LYS 6 HA LYS 6 -2.004 7.372 2.232 49 HB2 LYS 6 1HB LYS 6 0.303 8.141 4.121 50 HB3 LYS 6 2HB LYS 6 0.385 6.974 2.830 51 HG2 LYS 6 1HG LYS 6 0.250 10.005 2.655 52 HG3 LYS 6 2HG LYS 6 1.556 8.914 2.256 53 HD2 LYS 6 1HD LYS 6 0.875 9.821 0.329 54 HD3 LYS 6 2HD LYS 6 0.458 8.158 0.218 55 HE2 LYS 6 1HE LYS 6 -1.959 8.604 0.300 56 HE3 LYS 6 2HE LYS 6 -1.745 10.192 0.965 57 HZ1 LYS 6 3HZ LYS 6 -2.044 10.092 -1.637 58 HZ2 LYS 6 1HZ LYS 6 -0.870 11.035 -1.065 59 HZ3 LYS 6 2HZ LYS 6 -0.447 9.571 -1.670 60 H SER 7 H SER 7 -1.327 5.242 2.905 61 HA SER 7 HA SER 7 -2.100 4.430 5.742 62 HB2 SER 7 1HB SER 7 -3.584 3.370 3.246 63 HB3 SER 7 2HB SER 7 -3.687 2.660 4.859 64 HG SER 7 HG SER 7 -4.058 5.418 4.736 65 H GLU 8 H GLU 8 -0.346 3.403 6.316 66 HA GLU 8 HA GLU 8 1.067 1.407 4.447 67 HB2 GLU 8 1HB GLU 8 2.108 2.980 6.887 68 HB3 GLU 8 2HB GLU 8 3.000 1.710 6.063 69 HG2 GLU 8 1HG GLU 8 2.902 3.051 3.880 70 HG3 GLU 8 2HG GLU 8 2.067 4.342 4.734 71 H ILE 9 H ILE 9 0.028 -0.540 4.821 72 HA ILE 9 HA ILE 9 -0.427 -1.376 7.750 73 HB ILE 9 HB ILE 9 -2.146 -2.159 5.329 74 HG12 ILE 9 1HG1 ILE 9 -2.997 -0.544 7.800 75 HG13 ILE 9 2HG1 ILE 9 -2.458 0.224 6.314 76 HG21 ILE 9 1HG2 ILE 9 -1.992 -4.070 6.933 77 HG22 ILE 9 2HG2 ILE 9 -2.409 -3.003 8.288 78 HG23 ILE 9 3HG2 ILE 9 -3.601 -3.352 7.009 79 HD11 ILE 9 3HD1 ILE 9 -4.939 -1.594 6.487 80 HD12 ILE 9 1HD1 ILE 9 -4.891 0.168 6.333 81 HD13 ILE 9 2HD1 ILE 9 -4.305 -0.846 4.998 82 H THR 10 H THR 10 0.243 -3.257 8.388 83 HA THR 10 HA THR 10 2.456 -4.572 7.164 84 HB THR 10 HB THR 10 0.600 -5.308 9.527 85 HG1 THR 10 HG1 THR 10 2.482 -4.395 10.643 86 HG21 THR 10 3HG2 THR 10 2.062 -7.322 9.116 87 HG22 THR 10 1HG2 THR 10 3.507 -6.282 9.129 88 HG23 THR 10 2HG2 THR 10 2.515 -6.476 10.592 89 H ALA 11 H ALA 11 2.809 -6.703 6.555 90 HA ALA 11 HA ALA 11 1.162 -7.668 4.540 91 HB1 ALA 11 3HB ALA 11 3.369 -9.236 6.037 92 HB2 ALA 11 1HB ALA 11 2.867 -9.477 4.348 93 HB3 ALA 11 2HB ALA 11 3.650 -7.976 4.812 94 H LEU 12 H LEU 12 -0.540 -8.846 4.374 95 HA LEU 12 HA LEU 12 -1.489 -10.731 6.558 96 HB2 LEU 12 1HB LEU 12 -2.906 -8.914 4.720 97 HB3 LEU 12 2HB LEU 12 -3.308 -10.516 4.212 98 HG LEU 12 HG LEU 12 -4.943 -9.611 5.703 99 HD11 LEU 12 1HD1 LEU 12 -3.549 -11.935 7.165 100 HD12 LEU 12 2HD1 LEU 12 -5.259 -11.465 7.264 101 HD13 LEU 12 3HD1 LEU 12 -4.609 -12.087 5.736 102 HD21 LEU 12 3HD2 LEU 12 -4.563 -9.127 8.110 103 HD22 LEU 12 1HD2 LEU 12 -2.836 -9.493 7.963 104 HD23 LEU 12 2HD2 LEU 12 -3.512 -8.093 7.120 105 H VAL 13 H VAL 13 -1.941 -12.798 6.050 106 HA VAL 13 HA VAL 13 -0.262 -14.343 4.192 107 HB VAL 13 HB VAL 13 -1.766 -16.281 4.856 108 HG11 VAL 13 1HG1 VAL 13 -0.929 -16.479 7.169 109 HG12 VAL 13 2HG1 VAL 13 0.320 -15.835 6.092 110 HG13 VAL 13 3HG1 VAL 13 -0.522 -14.742 7.215 111 HG21 VAL 13 3HG2 VAL 13 -3.914 -15.028 5.375 112 HG22 VAL 13 1HG2 VAL 13 -3.397 -16.085 6.703 113 HG23 VAL 13 2HG2 VAL 13 -3.155 -14.346 6.821 114 H LYS 14 H LYS 14 -1.155 -15.925 2.630 115 HA LYS 14 HA LYS 14 -2.681 -14.528 0.515 116 HB2 LYS 14 1HB LYS 14 -0.794 -16.241 0.214 117 HB3 LYS 14 2HB LYS 14 -1.875 -17.494 0.733 118 HG2 LYS 14 1HG LYS 14 -1.749 -17.597 -1.625 119 HG3 LYS 14 2HG LYS 14 -3.378 -17.036 -1.271 120 HD2 LYS 14 1HD LYS 14 -2.886 -14.748 -1.961 121 HD3 LYS 14 2HD LYS 14 -1.154 -14.989 -1.875 122 HE2 LYS 14 1HE LYS 14 -1.709 -14.900 -4.193 123 HE3 LYS 14 2HE LYS 14 -1.175 -16.538 -3.835 124 HZ1 LYS 14 3HZ LYS 14 -3.241 -16.599 -5.209 125 HZ2 LYS 14 1HZ LYS 14 -3.612 -17.210 -3.730 126 HZ3 LYS 14 2HZ LYS 14 -4.074 -15.691 -4.117 127 H GLU 15 H GLU 15 -4.824 -14.338 0.441 128 HA GLU 15 HA GLU 15 -6.779 -15.866 1.839 129 HB2 GLU 15 1HB GLU 15 -6.976 -13.984 -0.583 130 HB3 GLU 15 2HB GLU 15 -8.391 -14.801 0.037 131 HG2 GLU 15 1HG GLU 15 -8.330 -12.616 1.006 132 HG3 GLU 15 2HG GLU 15 -8.143 -13.797 2.285 133 H VAL 16 H VAL 16 -6.722 -17.934 1.604 134 HA VAL 16 HA VAL 16 -7.189 -19.334 -1.095 135 HB VAL 16 HB VAL 16 -5.804 -20.320 1.488 136 HG11 VAL 16 1HG1 VAL 16 -5.126 -22.356 0.186 137 HG12 VAL 16 2HG1 VAL 16 -6.868 -22.291 0.415 138 HG13 VAL 16 3HG1 VAL 16 -6.168 -21.869 -1.171 139 HG21 VAL 16 3HG2 VAL 16 -4.584 -19.754 -1.311 140 HG22 VAL 16 1HG2 VAL 16 -4.337 -18.764 0.146 141 HG23 VAL 16 2HG2 VAL 16 -3.716 -20.416 0.104 142 H THR 17 H THR 17 -9.009 -20.515 -1.330 143 HA THR 17 HA THR 17 -11.173 -20.332 0.635 144 HB THR 17 HB THR 17 -11.090 -21.945 -1.984 145 HG1 THR 17 HG1 THR 17 -12.260 -19.434 -1.537 146 HG21 THR 17 3HG2 THR 17 -13.563 -21.620 -1.987 147 HG22 THR 17 1HG2 THR 17 -13.091 -22.592 -0.586 148 HG23 THR 17 2HG2 THR 17 -13.511 -20.878 -0.371 149 HA PRO 18 HA PRO 18 -10.665 -24.946 1.885 150 HB2 PRO 18 1HB PRO 18 -8.546 -26.528 1.023 151 HB3 PRO 18 2HB PRO 18 -10.027 -26.290 0.073 152 HG2 PRO 18 1HG PRO 18 -7.372 -24.757 -0.214 153 HG3 PRO 18 2HG PRO 18 -8.269 -25.603 -1.504 154 HD2 PRO 18 1HD PRO 18 -8.532 -22.882 -1.057 155 HD3 PRO 18 2HD PRO 18 -9.927 -23.822 -1.616 156 HA PRO 19 HA PRO 19 -8.100 -23.634 5.235 157 HB2 PRO 19 1HB PRO 19 -7.733 -25.822 6.900 158 HB3 PRO 19 2HB PRO 19 -9.306 -25.081 6.536 159 HG2 PRO 19 1HG PRO 19 -8.044 -27.512 5.111 160 HG3 PRO 19 2HG PRO 19 -9.651 -27.441 5.887 161 HD2 PRO 19 1HD PRO 19 -9.415 -27.020 3.186 162 HD3 PRO 19 2HD PRO 19 -10.528 -25.979 4.132 163 H ARG 20 H ARG 20 -6.435 -23.287 3.561 164 HA ARG 20 HA ARG 20 -3.736 -24.176 4.690 165 HB2 ARG 20 1HB ARG 20 -4.785 -25.090 2.231 166 HB3 ARG 20 2HB ARG 20 -3.960 -23.660 1.681 167 HG2 ARG 20 1HG ARG 20 -2.323 -25.363 1.474 168 HG3 ARG 20 2HG ARG 20 -1.833 -24.533 2.948 169 HD2 ARG 20 1HD ARG 20 -3.378 -26.375 4.183 170 HD3 ARG 20 2HD ARG 20 -3.323 -27.232 2.635 171 HE ARG 20 HE ARG 20 -0.580 -26.669 3.174 172 HH11 ARG 20 2HH2 ARG 20 -3.088 -28.330 4.924 173 HH12 ARG 20 1HH2 ARG 20 -1.876 -29.319 5.869 174 HH21 ARG 20 2HH1 ARG 20 0.769 -27.789 4.280 175 HH22 ARG 20 1HH1 ARG 20 0.199 -29.008 5.502 176 H LYS 21 H LYS 21 -2.127 -22.706 4.795 177 HA LYS 21 HA LYS 21 -2.698 -19.816 3.909 178 HB2 LYS 21 1HB LYS 21 -1.974 -20.932 6.636 179 HB3 LYS 21 2HB LYS 21 -1.040 -19.553 6.148 180 HG2 LYS 21 1HG LYS 21 -2.895 -18.841 7.458 181 HG3 LYS 21 2HG LYS 21 -2.938 -18.112 5.878 182 HD2 LYS 21 1HD LYS 21 -4.577 -20.658 6.160 183 HD3 LYS 21 2HD LYS 21 -5.073 -19.368 7.229 184 HE2 LYS 21 1HE LYS 21 -5.584 -17.813 5.443 185 HE3 LYS 21 2HE LYS 21 -4.689 -18.722 4.231 186 HZ1 LYS 21 3HZ LYS 21 -7.180 -19.170 4.115 187 HZ2 LYS 21 1HZ LYS 21 -6.276 -20.523 4.314 188 HZ3 LYS 21 2HZ LYS 21 -7.111 -19.900 5.591 189 H ALA 22 H ALA 22 -1.392 -19.347 2.331 190 HA ALA 22 HA ALA 22 1.462 -20.387 2.250 191 HB1 ALA 22 3HB ALA 22 -0.113 -18.812 0.115 192 HB2 ALA 22 1HB ALA 22 1.507 -19.503 -0.069 193 HB3 ALA 22 2HB ALA 22 0.121 -20.573 0.174 194 HA PRO 23 HA PRO 23 2.808 -16.410 3.988 195 HB2 PRO 23 1HB PRO 23 5.545 -16.638 3.849 196 HB3 PRO 23 2HB PRO 23 4.542 -17.770 4.778 197 HG2 PRO 23 1HG PRO 23 5.551 -18.154 1.879 198 HG3 PRO 23 2HG PRO 23 5.826 -19.259 3.256 199 HD2 PRO 23 1HD PRO 23 3.717 -19.676 1.522 200 HD3 PRO 23 2HD PRO 23 3.507 -19.968 3.280 201 H SER 24 H SER 24 1.662 -15.525 2.054 202 HA SER 24 HA SER 24 3.147 -14.412 -0.203 203 HB2 SER 24 1HB SER 24 0.862 -15.100 -0.336 204 HB3 SER 24 2HB SER 24 0.295 -13.808 0.761 205 HG SER 24 HG SER 24 0.803 -12.328 -0.804 206 H LYS 25 H LYS 25 4.090 -12.498 -0.477 207 HA LYS 25 HA LYS 25 4.448 -10.625 1.853 208 HB2 LYS 25 1HB LYS 25 5.781 -10.874 -0.895 209 HB3 LYS 25 2HB LYS 25 5.860 -9.350 -0.071 210 HG2 LYS 25 1HG LYS 25 7.836 -10.480 0.500 211 HG3 LYS 25 2HG LYS 25 6.865 -10.362 1.964 212 HD2 LYS 25 1HD LYS 25 6.115 -12.796 1.617 213 HD3 LYS 25 2HD LYS 25 7.128 -12.880 0.175 214 HE2 LYS 25 1HE LYS 25 9.190 -12.367 1.627 215 HE3 LYS 25 2HE LYS 25 8.146 -12.279 3.053 216 HZ1 LYS 25 3HZ LYS 25 8.494 -14.723 1.304 217 HZ2 LYS 25 1HZ LYS 25 9.026 -14.580 2.853 218 HZ3 LYS 25 2HZ LYS 25 7.410 -14.648 2.523 219 H ALA 26 H ALA 26 2.626 -9.551 2.253 220 HA ALA 26 HA ALA 26 1.271 -7.939 0.064 221 HB1 ALA 26 3HB ALA 26 -0.612 -7.759 1.714 222 HB2 ALA 26 1HB ALA 26 -0.199 -9.451 1.375 223 HB3 ALA 26 2HB ALA 26 0.327 -8.723 2.869 224 H LYS 27 H LYS 27 1.626 -5.862 -0.075 225 HA LYS 27 HA LYS 27 2.239 -4.270 2.458 226 HB2 LYS 27 1HB LYS 27 3.986 -4.119 -0.079 227 HB3 LYS 27 2HB LYS 27 3.780 -2.756 0.990 228 HG2 LYS 27 1HG LYS 27 5.579 -3.575 2.050 229 HG3 LYS 27 2HG LYS 27 4.375 -4.403 2.981 230 HD2 LYS 27 1HD LYS 27 4.763 -6.297 0.957 231 HD3 LYS 27 2HD LYS 27 6.320 -5.506 0.894 232 HE2 LYS 27 1HE LYS 27 4.979 -6.733 3.419 233 HE3 LYS 27 2HE LYS 27 6.123 -7.594 2.406 234 HZ1 LYS 27 3HZ LYS 27 7.847 -5.835 2.978 235 HZ2 LYS 27 1HZ LYS 27 6.768 -5.054 3.923 236 HZ3 LYS 27 2HZ LYS 27 7.297 -6.548 4.357 237 H ARG 28 H ARG 28 0.835 -2.815 2.728 238 HA ARG 28 HA ARG 28 -1.032 -1.940 0.447 239 HB2 ARG 28 1HB ARG 28 -1.355 -2.230 3.485 240 HB3 ARG 28 2HB ARG 28 -2.574 -1.441 2.487 241 HG2 ARG 28 1HG ARG 28 -3.045 -3.475 1.267 242 HG3 ARG 28 2HG ARG 28 -1.688 -4.355 1.966 243 HD2 ARG 28 1HD ARG 28 -2.699 -4.266 4.234 244 HD3 ARG 28 2HD ARG 28 -4.086 -3.322 3.635 245 HE ARG 28 HE ARG 28 -4.070 -5.538 1.865 246 HH11 ARG 28 2HH2 ARG 28 -4.132 -5.357 5.344 247 HH12 ARG 28 1HH2 ARG 28 -5.026 -6.947 5.477 248 HH21 ARG 28 2HH1 ARG 28 -5.073 -7.327 2.058 249 HH22 ARG 28 1HH1 ARG 28 -5.520 -8.005 3.679 250 H GLU 29 H GLU 29 -0.288 0.058 -0.144 251 HA GLU 29 HA GLU 29 0.962 1.976 1.808 252 HB2 GLU 29 1HB GLU 29 2.749 0.561 -0.280 253 HB3 GLU 29 2HB GLU 29 3.136 2.122 0.441 254 HG2 GLU 29 1HG GLU 29 3.100 1.102 2.759 255 HG3 GLU 29 2HG GLU 29 2.757 -0.472 2.078 256 H ALA 30 H ALA 30 0.127 3.797 1.188 257 HA ALA 30 HA ALA 30 -0.689 4.437 -1.648 258 HB1 ALA 30 3HB ALA 30 -0.778 5.986 1.008 259 HB2 ALA 30 1HB ALA 30 -1.366 6.647 -0.497 260 HB3 ALA 30 2HB ALA 30 -2.140 5.200 0.173 261 HA PRO 31 HA PRO 31 3.062 7.181 -2.112 262 HB2 PRO 31 1HB PRO 31 3.664 6.796 -4.695 263 HB3 PRO 31 2HB PRO 31 3.826 5.498 -3.514 264 HG2 PRO 31 1HG PRO 31 1.453 5.930 -5.435 265 HG3 PRO 31 2HG PRO 31 2.419 4.446 -5.235 266 HD2 PRO 31 1HD PRO 31 0.010 4.920 -3.845 267 HD3 PRO 31 2HD PRO 31 1.318 3.890 -3.197 268 H ILE 32 H ILE 32 2.088 8.089 -5.193 269 HA ILE 32 HA ILE 32 0.875 10.654 -4.035 270 HB ILE 32 HB ILE 32 2.041 11.890 -5.866 271 HG12 ILE 32 1HG1 ILE 32 3.906 9.462 -6.128 272 HG13 ILE 32 2HG1 ILE 32 2.667 9.794 -7.316 273 HG21 ILE 32 1HG2 ILE 32 2.750 11.708 -3.426 274 HG22 ILE 32 2HG2 ILE 32 3.984 10.512 -3.904 275 HG23 ILE 32 3HG2 ILE 32 4.044 12.165 -4.529 276 HD11 ILE 32 3HD1 ILE 32 3.752 11.849 -8.053 277 HD12 ILE 32 1HD1 ILE 32 4.740 11.972 -6.619 278 HD13 ILE 32 2HD1 ILE 32 5.083 10.691 -7.772 279 H LYS 33 H LYS 33 -0.765 11.594 -4.922 280 HA LYS 33 HA LYS 33 -2.361 10.302 -7.100 281 HB2 LYS 33 1HB LYS 33 -2.702 12.955 -5.576 282 HB3 LYS 33 2HB LYS 33 -3.743 12.523 -6.929 283 HG2 LYS 33 1HG LYS 33 -3.546 11.060 -4.264 284 HG3 LYS 33 2HG LYS 33 -4.819 12.125 -4.833 285 HD2 LYS 33 1HD LYS 33 -5.154 10.426 -6.829 286 HD3 LYS 33 2HD LYS 33 -4.116 9.334 -5.955 287 HE2 LYS 33 1HE LYS 33 -6.892 10.400 -5.203 288 HE3 LYS 33 2HE LYS 33 -6.430 8.750 -5.522 289 HZ1 LYS 33 3HZ LYS 33 -5.882 10.417 -3.102 290 HZ2 LYS 33 1HZ LYS 33 -6.560 8.916 -3.111 291 HZ3 LYS 33 2HZ LYS 33 -4.926 9.106 -3.346 292 H TYR 34 H TYR 34 0.032 12.729 -7.105 293 HA TYR 34 HA TYR 34 -0.580 13.907 -9.768 294 HB2 TYR 34 1HB TYR 34 0.999 14.760 -7.698 295 HB3 TYR 34 2HB TYR 34 2.249 13.901 -8.555 296 HD1 TYR 34 HD1 TYR 34 -0.405 16.554 -8.878 297 HD2 TYR 34 HD2 TYR 34 3.263 15.007 -10.529 298 HE1 TYR 34 HE1 TYR 34 -0.167 18.576 -10.248 299 HE2 TYR 34 HE2 TYR 34 3.498 17.049 -11.888 300 HH TYR 34 HH TYR 34 0.986 19.395 -12.162 301 H TRP 35 H TRP 35 1.212 11.045 -8.862 302 HA TRP 35 HA TRP 35 1.996 10.564 -11.789 303 HB2 TRP 35 1HB TRP 35 3.702 10.337 -9.741 304 HB3 TRP 35 2HB TRP 35 2.956 8.771 -9.485 305 HD1 TRP 35 HD1 TRP 35 4.894 10.909 -12.192 306 HE1 TRP 35 HE1 TRP 35 6.593 9.421 -13.534 307 HE3 TRP 35 HE3 TRP 35 3.447 6.385 -10.236 308 HZ2 TRP 35 HZ2 TRP 35 7.174 6.645 -13.570 309 HZ3 TRP 35 HZ3 TRP 35 4.682 4.350 -10.925 310 HH2 TRP 35 HH2 TRP 35 6.515 4.477 -12.553 311 H LEU 36 H LEU 36 0.198 8.939 -9.059 312 HA LEU 36 HA LEU 36 -1.042 7.078 -11.161 313 HB2 LEU 36 1HB LEU 36 -0.747 6.566 -8.138 314 HB3 LEU 36 2HB LEU 36 -1.496 5.483 -9.308 315 HG LEU 36 HG LEU 36 1.481 6.263 -9.225 316 HD11 LEU 36 1HD1 LEU 36 1.815 3.932 -8.408 317 HD12 LEU 36 2HD1 LEU 36 0.740 4.829 -7.320 318 HD13 LEU 36 3HD1 LEU 36 0.056 3.635 -8.442 319 HD21 LEU 36 3HD2 LEU 36 1.798 4.383 -10.894 320 HD22 LEU 36 1HD2 LEU 36 0.035 4.216 -11.057 321 HD23 LEU 36 2HD2 LEU 36 0.855 5.705 -11.581 322 HA PRO 37 HA PRO 37 -4.840 9.324 -9.894 323 HB2 PRO 37 1HB PRO 37 -6.822 7.732 -11.076 324 HB3 PRO 37 2HB PRO 37 -5.769 8.873 -11.931 325 HG2 PRO 37 1HG PRO 37 -5.321 5.844 -11.606 326 HG3 PRO 37 2HG PRO 37 -5.302 6.783 -13.119 327 HD2 PRO 37 1HD PRO 37 -2.962 6.165 -11.825 328 HD3 PRO 37 2HD PRO 37 -3.145 7.783 -12.577 329 H HIS 38 H HIS 38 -4.431 5.968 -8.991 330 HA HIS 38 HA HIS 38 -6.186 6.463 -6.498 331 HB2 HIS 38 1HB HIS 38 -6.990 4.718 -8.215 332 HB3 HIS 38 2HB HIS 38 -5.617 3.722 -7.768 333 HD1 HIS 38 HD1 HIS 38 -9.148 4.403 -6.809 334 HD2 HIS 38 HD2 HIS 38 -5.542 3.282 -4.775 335 HE1 HIS 38 HE1 HIS 38 -9.720 3.408 -4.488 336 HE2 HIS 38 HE2 HIS 38 -7.584 2.652 -3.205 337 H SER 39 H SER 39 -4.475 7.335 -5.296 338 HA SER 39 HA SER 39 -2.072 5.751 -4.598 339 HB2 SER 39 1HB SER 39 -3.240 8.031 -2.887 340 HB3 SER 39 2HB SER 39 -1.587 7.418 -2.918 341 HG SER 39 HG SER 39 -1.551 8.108 -5.187 342 H GLY 40 H GLY 40 -2.315 3.851 -3.606 343 HA2 GLY 40 1HA GLY 40 -2.581 2.959 -1.139 344 HA3 GLY 40 2HA GLY 40 -4.245 3.505 -1.226 345 H ALA 41 H ALA 41 -1.963 1.180 -2.387 346 HA ALA 41 HA ALA 41 -4.231 -0.557 -3.530 347 HB1 ALA 41 3HB ALA 41 -1.371 -0.167 -4.641 348 HB2 ALA 41 1HB ALA 41 -2.595 -1.270 -5.300 349 HB3 ALA 41 2HB ALA 41 -2.884 0.478 -5.333 350 H THR 42 H THR 42 -4.352 -2.580 -2.881 351 HA THR 42 HA THR 42 -2.316 -3.742 -0.949 352 HB THR 42 HB THR 42 -4.575 -3.677 -0.193 353 HG1 THR 42 HG1 THR 42 -3.928 -6.347 -0.810 354 HG21 THR 42 3HG2 THR 42 -5.995 -4.031 -2.248 355 HG22 THR 42 1HG2 THR 42 -5.433 -5.703 -2.358 356 HG23 THR 42 2HG2 THR 42 -6.366 -5.170 -0.945 357 H TRP 43 H TRP 43 -0.634 -4.500 -2.097 358 HA TRP 43 HA TRP 43 -1.152 -6.437 -4.446 359 HB2 TRP 43 1HB TRP 43 0.287 -4.385 -4.856 360 HB3 TRP 43 2HB TRP 43 1.482 -5.030 -3.717 361 HD1 TRP 43 HD1 TRP 43 1.143 -8.278 -5.084 362 HE1 TRP 43 HE1 TRP 43 2.490 -8.790 -7.261 363 HE3 TRP 43 HE3 TRP 43 1.868 -3.385 -6.591 364 HZ2 TRP 43 HZ2 TRP 43 3.806 -7.213 -9.179 365 HZ3 TRP 43 HZ3 TRP 43 3.313 -2.987 -8.561 366 HH2 TRP 43 HH2 TRP 43 4.283 -4.868 -9.820 367 H SER 44 H SER 44 -1.483 -8.345 -3.452 368 HA SER 44 HA SER 44 0.396 -9.342 -1.254 369 HB2 SER 44 1HB SER 44 -2.092 -9.351 -0.872 370 HB3 SER 44 2HB SER 44 -2.273 -10.545 -2.173 371 HG SER 44 HG SER 44 -2.029 -11.386 0.024 372 H GLY 45 H GLY 45 2.170 -10.015 -2.256 373 HA2 GLY 45 1HA GLY 45 2.585 -12.597 -3.320 374 HA3 GLY 45 2HA GLY 45 2.110 -11.721 -4.771 375 H ARG 46 H ARG 46 3.352 -9.790 -5.257 376 HA ARG 46 HA ARG 46 6.322 -10.012 -4.652 377 HB2 ARG 46 1HB ARG 46 5.717 -9.670 -6.980 378 HB3 ARG 46 2HB ARG 46 4.792 -8.229 -6.637 379 HG2 ARG 46 1HG ARG 46 7.768 -8.286 -5.873 380 HG3 ARG 46 2HG ARG 46 7.320 -8.170 -7.565 381 HD2 ARG 46 1HD ARG 46 5.985 -6.075 -7.159 382 HD3 ARG 46 2HD ARG 46 6.233 -6.207 -5.446 383 HE ARG 46 HE ARG 46 8.553 -5.542 -5.614 384 HH11 ARG 46 2HH2 ARG 46 7.170 -5.811 -8.798 385 HH12 ARG 46 1HH2 ARG 46 8.534 -4.848 -9.544 386 HH21 ARG 46 2HH1 ARG 46 10.081 -4.472 -6.496 387 HH22 ARG 46 1HH1 ARG 46 10.095 -4.142 -8.283 388 H GLY 47 H GLY 47 7.269 -8.703 -3.281 389 HA2 GLY 47 1HA GLY 47 5.703 -6.994 -1.357 390 HA3 GLY 47 2HA GLY 47 7.426 -7.296 -1.292 391 H LYS 48 H LYS 48 4.994 -5.354 -2.849 392 HA LYS 48 HA LYS 48 6.999 -3.386 -3.859 393 HB2 LYS 48 1HB LYS 48 5.344 -2.255 -4.941 394 HB3 LYS 48 2HB LYS 48 4.997 -3.943 -5.102 395 HG2 LYS 48 1HG LYS 48 2.885 -3.535 -4.553 396 HG3 LYS 48 2HG LYS 48 3.343 -3.288 -2.888 397 HD2 LYS 48 1HD LYS 48 3.684 -0.790 -3.383 398 HD3 LYS 48 2HD LYS 48 3.300 -1.085 -5.065 399 HE2 LYS 48 1HE LYS 48 1.276 -0.253 -4.293 400 HE3 LYS 48 2HE LYS 48 0.969 -1.986 -4.295 401 HZ1 LYS 48 3HZ LYS 48 1.545 -0.255 -1.884 402 HZ2 LYS 48 1HZ LYS 48 0.210 -1.201 -2.172 403 HZ3 LYS 48 2HZ LYS 48 1.619 -1.898 -1.770 404 H ILE 49 H ILE 49 8.149 -2.514 -2.197 405 HA ILE 49 HA ILE 49 6.669 -0.746 -0.186 406 HB ILE 49 HB ILE 49 9.702 -1.292 -0.132 407 HG12 ILE 49 1HG1 ILE 49 9.020 -2.653 2.038 408 HG13 ILE 49 2HG1 ILE 49 7.432 -2.806 1.308 409 HG21 ILE 49 1HG2 ILE 49 8.760 0.784 1.052 410 HG22 ILE 49 2HG2 ILE 49 7.746 -0.268 2.045 411 HG23 ILE 49 3HG2 ILE 49 9.527 -0.370 2.152 412 HD11 ILE 49 3HD1 ILE 49 8.950 -4.809 0.948 413 HD12 ILE 49 1HD1 ILE 49 8.475 -4.119 -0.604 414 HD13 ILE 49 2HD1 ILE 49 10.093 -3.795 0.045 415 HA PRO 50 HA PRO 50 8.320 2.444 -3.248 416 HB2 PRO 50 1HB PRO 50 6.189 4.216 -3.295 417 HB3 PRO 50 2HB PRO 50 6.163 2.658 -4.147 418 HG2 PRO 50 1HG PRO 50 5.050 3.232 -1.316 419 HG3 PRO 50 2HG PRO 50 4.140 2.557 -2.695 420 HD2 PRO 50 1HD PRO 50 5.286 0.892 -0.824 421 HD3 PRO 50 2HD PRO 50 5.331 0.432 -2.543 422 H LYS 51 H LYS 51 9.239 2.193 -0.764 423 HA LYS 51 HA LYS 51 9.426 4.904 0.538 424 HB2 LYS 51 1HB LYS 51 10.498 2.196 1.256 425 HB3 LYS 51 2HB LYS 51 11.721 3.401 1.366 426 HG2 LYS 51 1HG LYS 51 10.947 3.576 3.455 427 HG3 LYS 51 2HG LYS 51 10.023 4.876 2.764 428 HD2 LYS 51 1HD LYS 51 9.053 1.989 3.307 429 HD3 LYS 51 2HD LYS 51 8.839 3.318 4.403 430 HE2 LYS 51 1HE LYS 51 7.496 3.118 1.611 431 HE3 LYS 51 2HE LYS 51 6.795 2.611 3.129 432 HZ1 LYS 51 3HZ LYS 51 6.049 4.881 2.551 433 HZ2 LYS 51 1HZ LYS 51 6.786 4.858 3.977 434 HZ3 LYS 51 2HZ LYS 51 7.567 5.504 2.661 435 HA PRO 52 HA PRO 52 13.463 5.553 -2.049 436 HB2 PRO 52 1HB PRO 52 14.008 3.933 -4.259 437 HB3 PRO 52 2HB PRO 52 14.630 3.663 -2.618 438 HG2 PRO 52 1HG PRO 52 12.122 2.380 -3.873 439 HG3 PRO 52 2HG PRO 52 13.482 1.539 -3.088 440 HD2 PRO 52 1HD PRO 52 11.196 2.081 -1.696 441 HD3 PRO 52 2HD PRO 52 12.767 2.275 -0.874 442 H PHE 53 H PHE 53 10.452 4.602 -3.488 443 HA PHE 53 HA PHE 53 10.576 6.616 -5.739 444 HB2 PHE 53 1HB PHE 53 9.310 4.559 -6.130 445 HB3 PHE 53 2HB PHE 53 8.273 4.847 -4.749 446 HD1 PHE 53 HD2 PHE 53 9.290 6.407 -8.070 447 HD2 PHE 53 HD1 PHE 53 6.280 6.206 -5.002 448 HE1 PHE 53 HE2 PHE 53 7.711 7.643 -9.524 449 HE2 PHE 53 HE1 PHE 53 4.723 7.433 -6.455 450 HZ PHE 53 HZ PHE 53 5.439 8.159 -8.721 451 H GLU 54 H GLU 54 8.542 6.350 -2.708 452 HA GLU 54 HA GLU 54 7.680 9.157 -2.901 453 HB2 GLU 54 1HB GLU 54 6.467 7.280 -1.673 454 HB3 GLU 54 2HB GLU 54 7.662 7.380 -0.388 455 HG2 GLU 54 1HG GLU 54 6.981 9.818 0.011 456 HG3 GLU 54 2HG GLU 54 5.829 9.702 -1.317 457 H ALA 55 H ALA 55 10.576 7.792 -1.601 458 HA ALA 55 HA ALA 55 11.548 10.188 -0.098 459 HB1 ALA 55 3HB ALA 55 13.781 9.017 -0.291 460 HB2 ALA 55 1HB ALA 55 12.557 8.019 0.479 461 HB3 ALA 55 2HB ALA 55 13.024 7.711 -1.211 462 H TRP 56 H TRP 56 12.343 8.860 -3.436 463 HA TRP 56 HA TRP 56 13.808 11.395 -4.045 464 HB2 TRP 56 1HB TRP 56 14.317 9.036 -5.070 465 HB3 TRP 56 2HB TRP 56 12.996 9.347 -6.194 466 HD1 TRP 56 HD1 TRP 56 16.441 10.950 -4.983 467 HE1 TRP 56 HE1 TRP 56 17.529 12.474 -6.827 468 HE3 TRP 56 HE3 TRP 56 12.599 10.640 -8.390 469 HZ2 TRP 56 HZ2 TRP 56 16.683 13.378 -9.384 470 HZ3 TRP 56 HZ3 TRP 56 12.812 11.898 -10.523 471 HH2 TRP 56 HH2 TRP 56 14.806 13.241 -11.007 472 H ILE 57 H ILE 57 10.525 10.211 -4.763 473 HA ILE 57 HA ILE 57 9.578 12.776 -5.990 474 HB ILE 57 HB ILE 57 8.242 10.352 -4.713 475 HG12 ILE 57 1HG1 ILE 57 9.082 9.960 -6.945 476 HG13 ILE 57 2HG1 ILE 57 7.350 9.860 -6.835 477 HG21 ILE 57 1HG2 ILE 57 6.574 12.682 -5.658 478 HG22 ILE 57 2HG2 ILE 57 6.076 11.012 -5.218 479 HG23 ILE 57 3HG2 ILE 57 6.748 12.081 -4.000 480 HD11 ILE 57 3HD1 ILE 57 7.168 12.204 -7.900 481 HD12 ILE 57 1HD1 ILE 57 8.934 12.192 -8.105 482 HD13 ILE 57 2HD1 ILE 57 7.936 10.972 -8.925 483 H GLY 58 H GLY 58 10.843 12.379 -2.894 484 HA2 GLY 58 1HA GLY 58 9.710 15.116 -2.231 485 HA3 GLY 58 2HA GLY 58 9.640 13.912 -0.948 486 H THR 59 H THR 59 12.523 13.716 -2.843 487 HA THR 59 HA THR 59 14.183 15.084 -0.770 488 HB THR 59 HB THR 59 14.948 14.072 -3.593 489 HG1 THR 59 HG1 THR 59 14.247 12.788 -1.479 490 HG21 THR 59 3HG2 THR 59 16.783 14.775 -1.199 491 HG22 THR 59 1HG2 THR 59 17.278 13.959 -2.697 492 HG23 THR 59 2HG2 THR 59 16.734 15.647 -2.748 493 H ALA 60 H ALA 60 13.300 15.858 -4.079 494 HA ALA 60 HA ALA 60 13.855 18.848 -3.590 495 HB1 ALA 60 3HB ALA 60 15.489 17.943 -5.244 496 HB2 ALA 60 1HB ALA 60 14.168 17.346 -6.279 497 HB3 ALA 60 2HB ALA 60 14.389 19.090 -6.030 498 H ALA 61 H ALA 61 11.672 16.560 -5.175 499 HA ALA 61 HA ALA 61 9.754 18.524 -6.229 500 HB1 ALA 61 3HB ALA 61 9.480 15.530 -5.560 501 HB2 ALA 61 1HB ALA 61 8.261 16.465 -6.452 502 HB3 ALA 61 2HB ALA 61 9.891 16.242 -7.135 503 H TYR 62 H TYR 62 10.069 17.319 -3.068 504 HA TYR 62 HA TYR 62 7.427 17.526 -1.894 505 HB2 TYR 62 1HB TYR 62 9.487 16.689 -0.725 506 HB3 TYR 62 2HB TYR 62 10.113 18.311 -0.614 507 HD1 TYR 62 HD1 TYR 62 7.054 16.257 0.314 508 HD2 TYR 62 HD2 TYR 62 9.650 19.510 1.425 509 HE1 TYR 62 HE1 TYR 62 5.991 16.369 2.532 510 HE2 TYR 62 HE2 TYR 62 8.554 19.634 3.613 511 HH TYR 62 HH TYR 62 7.010 18.730 4.971 512 H THR 63 H THR 63 9.676 20.261 -2.430 513 HA THR 63 HA THR 63 7.837 22.225 -1.189 514 HB THR 63 HB THR 63 10.254 22.551 -1.259 515 HG1 THR 63 HG1 THR 63 10.068 24.748 -1.666 516 HG21 THR 63 3HG2 THR 63 10.887 21.978 -3.638 517 HG22 THR 63 1HG2 THR 63 9.951 23.371 -4.224 518 HG23 THR 63 2HG2 THR 63 11.376 23.622 -3.197 519 H ALA 64 H ALA 64 8.024 20.997 -4.437 520 HA ALA 64 HA ALA 64 5.937 22.929 -5.512 521 HB1 ALA 64 3HB ALA 64 6.105 21.569 -7.609 522 HB2 ALA 64 1HB ALA 64 7.714 22.093 -7.086 523 HB3 ALA 64 2HB ALA 64 7.197 20.413 -6.811 524 H TRP 65 H TRP 65 6.205 19.570 -4.427 525 HA TRP 65 HA TRP 65 3.457 18.749 -4.892 526 HB2 TRP 65 1HB TRP 65 5.797 17.472 -4.070 527 HB3 TRP 65 2HB TRP 65 4.970 17.540 -2.526 528 HD1 TRP 65 HD1 TRP 65 5.043 15.703 -5.875 529 HE1 TRP 65 HE1 TRP 65 3.155 13.913 -6.169 530 HE3 TRP 65 HE3 TRP 65 2.251 17.060 -1.770 531 HZ2 TRP 65 HZ2 TRP 65 0.653 13.454 -4.854 532 HZ3 TRP 65 HZ3 TRP 65 0.116 15.878 -1.353 533 HH2 TRP 65 HH2 TRP 65 -0.677 14.121 -2.903 534 H LYS 66 H LYS 66 4.869 20.193 -1.957 535 HA LYS 66 HA LYS 66 2.356 20.139 -0.362 536 HB2 LYS 66 1HB LYS 66 4.879 21.858 -0.011 537 HB3 LYS 66 2HB LYS 66 3.571 21.760 1.146 538 HG2 LYS 66 1HG LYS 66 5.422 19.413 0.362 539 HG3 LYS 66 2HG LYS 66 5.596 20.447 1.716 540 HD2 LYS 66 1HD LYS 66 4.554 18.844 2.849 541 HD3 LYS 66 2HD LYS 66 3.063 19.606 2.324 542 HE2 LYS 66 1HE LYS 66 2.857 17.984 0.409 543 HE3 LYS 66 2HE LYS 66 4.451 17.307 0.764 544 HZ1 LYS 66 3HZ LYS 66 1.966 17.120 2.424 545 HZ2 LYS 66 1HZ LYS 66 2.954 15.840 2.064 546 HZ3 LYS 66 2HZ LYS 66 3.381 16.944 3.187 547 H ALA 67 H ALA 67 3.671 22.547 -2.613 548 HA ALA 67 HA ALA 67 1.485 24.533 -2.159 549 HB1 ALA 67 3HB ALA 67 2.290 25.519 -4.307 550 HB2 ALA 67 1HB ALA 67 3.646 25.185 -3.217 551 HB3 ALA 67 2HB ALA 67 3.335 24.110 -4.603 552 H LYS 68 H LYS 68 1.848 21.791 -4.522 553 HA LYS 68 HA LYS 68 -0.785 22.335 -5.773 554 HB2 LYS 68 1HB LYS 68 1.053 19.863 -5.794 555 HB3 LYS 68 2HB LYS 68 -0.363 20.013 -6.821 556 HG2 LYS 68 1HG LYS 68 0.526 21.781 -8.148 557 HG3 LYS 68 2HG LYS 68 1.739 22.255 -6.962 558 HD2 LYS 68 1HD LYS 68 2.993 20.149 -7.238 559 HD3 LYS 68 2HD LYS 68 1.787 19.527 -8.370 560 HE2 LYS 68 1HE LYS 68 2.308 21.662 -9.863 561 HE3 LYS 68 2HE LYS 68 3.647 21.992 -8.755 562 HZ1 LYS 68 3HZ LYS 68 4.533 20.622 -10.578 563 HZ2 LYS 68 1HZ LYS 68 4.407 19.565 -9.318 564 HZ3 LYS 68 2HZ LYS 68 3.278 19.566 -10.518 565 H HIS 69 H HIS 69 0.152 19.972 -3.282 566 HA HIS 69 HA HIS 69 -2.770 19.687 -2.514 567 HB2 HIS 69 1HB HIS 69 -0.910 17.412 -3.356 568 HB3 HIS 69 2HB HIS 69 -1.683 17.154 -1.815 569 HD1 HIS 69 HD1 HIS 69 -3.240 15.204 -2.453 570 HD2 HIS 69 HD2 HIS 69 -3.524 18.614 -5.070 571 HE1 HIS 69 HE1 HIS 69 -5.229 14.927 -3.973 572 HE2 HIS 69 HE2 HIS 69 -5.494 16.915 -5.649 573 HA PRO 70 HA PRO 70 -0.950 20.894 1.315 574 HB2 PRO 70 1HB PRO 70 -2.860 20.314 3.226 575 HB3 PRO 70 2HB PRO 70 -3.167 21.357 1.830 576 HG2 PRO 70 1HG PRO 70 -3.762 18.305 1.960 577 HG3 PRO 70 2HG PRO 70 -4.948 19.618 1.666 578 HD2 PRO 70 1HD PRO 70 -3.760 18.348 -0.459 579 HD3 PRO 70 2HD PRO 70 -3.979 20.130 -0.513 580 H ASP 71 H ASP 71 -1.969 18.495 3.554 581 HA ASP 71 HA ASP 71 0.805 17.341 3.626 582 HB2 ASP 71 1HB ASP 71 -0.419 18.156 5.688 583 HB3 ASP 71 2HB ASP 71 -1.481 16.749 5.574 584 H GLU 72 H GLU 72 -1.516 16.463 1.590 585 HA GLU 72 HA GLU 72 -2.213 13.832 2.077 586 HB2 GLU 72 1HB GLU 72 -2.717 15.408 -0.088 587 HB3 GLU 72 2HB GLU 72 -1.450 14.478 -0.814 588 HG2 GLU 72 1HG GLU 72 -2.908 12.369 0.233 589 HG3 GLU 72 2HG GLU 72 -4.190 13.540 0.115 590 H LYS 73 H LYS 73 0.864 14.626 0.620 591 HA LYS 73 HA LYS 73 1.751 11.719 0.356 592 HB2 LYS 73 1HB LYS 73 2.108 13.218 -1.533 593 HB3 LYS 73 2HB LYS 73 3.056 14.343 -0.571 594 HG2 LYS 73 1HG LYS 73 3.851 11.425 -1.231 595 HG3 LYS 73 2HG LYS 73 4.223 12.834 -2.203 596 HD2 LYS 73 1HD LYS 73 5.236 13.592 0.362 597 HD3 LYS 73 2HD LYS 73 5.425 11.856 0.329 598 HE2 LYS 73 1HE LYS 73 7.499 12.814 -0.418 599 HE3 LYS 73 2HE LYS 73 6.788 11.965 -1.772 600 HZ1 LYS 73 3HZ LYS 73 6.784 14.956 -1.341 601 HZ2 LYS 73 1HZ LYS 73 7.410 14.136 -2.646 602 HZ3 LYS 73 2HZ LYS 73 5.788 14.258 -2.442 603 H PHE 74 H PHE 74 3.338 10.885 1.655 604 HA PHE 74 HA PHE 74 3.463 12.047 4.399 605 HB2 PHE 74 1HB PHE 74 3.121 9.569 3.803 606 HB3 PHE 74 2HB PHE 74 4.775 9.488 3.256 607 HD1 PHE 74 HD1 PHE 74 2.541 9.916 6.230 608 HD2 PHE 74 HD2 PHE 74 6.630 9.459 4.950 609 HE1 PHE 74 HE1 PHE 74 3.223 9.455 8.551 610 HE2 PHE 74 HE2 PHE 74 7.297 9.003 7.280 611 HZ PHE 74 HZ PHE 74 5.598 9.001 9.084 612 HA PRO 75 HA PRO 75 7.441 14.125 3.429 613 HB2 PRO 75 1HB PRO 75 8.297 14.925 5.951 614 HB3 PRO 75 2HB PRO 75 6.924 15.617 5.069 615 HG2 PRO 75 1HG PRO 75 6.816 13.415 7.215 616 HG3 PRO 75 2HG PRO 75 5.876 14.932 7.176 617 HD2 PRO 75 1HD PRO 75 4.811 12.564 6.258 618 HD3 PRO 75 2HD PRO 75 4.438 14.077 5.374 619 H ALA 76 H ALA 76 8.039 11.986 2.736 620 HA ALA 76 HA ALA 76 10.050 10.453 4.226 621 HB1 ALA 76 3HB ALA 76 9.088 10.250 1.294 622 HB2 ALA 76 1HB ALA 76 9.975 8.994 2.176 623 HB3 ALA 76 2HB ALA 76 8.337 9.454 2.699 624 H PHE 77 H PHE 77 12.163 10.452 4.122 625 HA PHE 77 HA PHE 77 13.650 12.386 2.294 626 HB2 PHE 77 1HB PHE 77 15.262 12.633 4.021 627 HB3 PHE 77 2HB PHE 77 13.738 12.668 4.831 628 HD1 PHE 77 HD2 PHE 77 13.025 10.608 6.264 629 HD2 PHE 77 HD1 PHE 77 16.926 10.856 4.442 630 HE1 PHE 77 HE2 PHE 77 13.830 8.779 7.705 631 HE2 PHE 77 HE1 PHE 77 17.715 9.043 5.894 632 HZ PHE 77 HZ PHE 77 16.171 7.988 7.524 633 HA PRO 78 HA PRO 78 15.794 8.825 0.377 634 HB2 PRO 78 1HB PRO 78 18.096 9.921 -0.642 635 HB3 PRO 78 2HB PRO 78 16.478 10.453 -1.161 636 HG2 PRO 78 1HG PRO 78 18.269 11.783 0.970 637 HG3 PRO 78 2HG PRO 78 17.530 12.564 -0.451 638 HD2 PRO 78 1HD PRO 78 16.347 12.607 2.073 639 HD3 PRO 78 2HD PRO 78 15.347 12.580 0.590 640 H GLY 79 H GLY 79 16.011 7.536 2.160 641 HA2 GLY 79 1HA GLY 79 18.591 7.531 3.790 642 HA3 GLY 79 2HA GLY 79 17.155 6.585 4.130 Start of MODEL 10 1 H1 PHE 1 1H PHE 1 -12.022 17.084 -1.068 2 H2 PHE 1 2H PHE 1 -11.636 18.636 -1.406 3 HA PHE 1 HA PHE 1 -10.366 17.952 -3.358 4 HB2 PHE 1 1HB PHE 1 -9.621 17.108 -0.497 5 HB3 PHE 1 2HB PHE 1 -8.557 16.608 -1.760 6 HD1 PHE 1 HD1 PHE 1 -7.999 18.595 -3.602 7 HD2 PHE 1 HD2 PHE 1 -8.823 19.117 0.588 8 HE1 PHE 1 HE1 PHE 1 -6.584 20.622 -3.570 9 HE2 PHE 1 HE2 PHE 1 -7.412 21.131 0.609 10 HZ PHE 1 HZ PHE 1 -6.284 21.888 -1.464 11 H ASN 2 H ASN 2 -9.844 16.469 -4.765 12 HA ASN 2 HA ASN 2 -10.535 13.587 -4.731 13 HB2 ASN 2 1HB ASN 2 -10.005 14.909 -6.803 14 HB3 ASN 2 2HB ASN 2 -8.366 15.192 -6.244 15 HD21 ASN 2 1HD2 ASN 2 -7.275 14.119 -7.869 16 HD22 ASN 2 2HD2 ASN 2 -7.575 12.349 -8.255 17 H VAL 3 H VAL 3 -7.710 15.329 -3.632 18 HA VAL 3 HA VAL 3 -5.926 12.988 -3.259 19 HB VAL 3 HB VAL 3 -5.211 15.188 -4.018 20 HG11 VAL 3 1HG1 VAL 3 -4.737 17.050 -2.282 21 HG12 VAL 3 2HG1 VAL 3 -6.433 16.831 -2.723 22 HG13 VAL 3 3HG1 VAL 3 -5.835 16.227 -1.175 23 HG21 VAL 3 3HG2 VAL 3 -3.615 13.507 -2.705 24 HG22 VAL 3 1HG2 VAL 3 -3.094 15.131 -3.196 25 HG23 VAL 3 2HG2 VAL 3 -3.567 14.845 -1.535 26 H LYS 4 H LYS 4 -5.423 11.886 -1.415 27 HA LYS 4 HA LYS 4 -6.922 12.431 1.139 28 HB2 LYS 4 1HB LYS 4 -7.414 9.839 -0.498 29 HB3 LYS 4 2HB LYS 4 -7.747 9.967 1.222 30 HG2 LYS 4 1HG LYS 4 -9.344 11.925 0.765 31 HG3 LYS 4 2HG LYS 4 -9.063 11.725 -0.944 32 HD2 LYS 4 1HD LYS 4 -11.074 10.609 -0.594 33 HD3 LYS 4 2HD LYS 4 -9.910 9.304 -0.794 34 HE2 LYS 4 1HE LYS 4 -9.823 9.031 1.774 35 HE3 LYS 4 2HE LYS 4 -10.969 10.362 1.935 36 HZ1 LYS 4 3HZ LYS 4 -12.200 8.212 1.918 37 HZ2 LYS 4 1HZ LYS 4 -12.590 9.021 0.545 38 HZ3 LYS 4 2HZ LYS 4 -11.540 7.765 0.482 39 H GLN 5 H GLN 5 -5.961 11.682 2.855 40 HA GLN 5 HA GLN 5 -3.265 11.187 2.865 41 HB2 GLN 5 1HB GLN 5 -5.321 11.709 4.837 42 HB3 GLN 5 2HB GLN 5 -4.384 10.416 5.512 43 HG2 GLN 5 1HG GLN 5 -3.283 13.105 4.428 44 HG3 GLN 5 2HG GLN 5 -3.704 12.785 6.095 45 HE21 GLN 5 1HE2 GLN 5 -1.063 13.624 5.045 46 HE22 GLN 5 2HE2 GLN 5 0.014 12.264 5.635 47 H LYS 6 H LYS 6 -2.196 9.606 4.600 48 HA LYS 6 HA LYS 6 -1.784 7.403 2.651 49 HB2 LYS 6 1HB LYS 6 -0.076 8.014 5.120 50 HB3 LYS 6 2HB LYS 6 0.376 6.970 3.790 51 HG2 LYS 6 1HG LYS 6 0.014 10.015 3.711 52 HG3 LYS 6 2HG LYS 6 1.508 9.126 3.864 53 HD2 LYS 6 1HD LYS 6 1.442 10.025 1.771 54 HD3 LYS 6 2HD LYS 6 1.391 8.313 1.543 55 HE2 LYS 6 1HE LYS 6 -0.945 8.372 0.796 56 HE3 LYS 6 2HE LYS 6 -1.267 9.902 1.575 57 HZ1 LYS 6 3HZ LYS 6 -0.926 10.144 -0.883 58 HZ2 LYS 6 1HZ LYS 6 0.157 11.020 -0.000 59 HZ3 LYS 6 2HZ LYS 6 0.647 9.629 -0.746 60 H SER 7 H SER 7 -1.983 5.286 2.926 61 HA SER 7 HA SER 7 -2.916 4.178 5.638 62 HB2 SER 7 1HB SER 7 -4.180 3.447 2.910 63 HB3 SER 7 2HB SER 7 -4.532 2.696 4.461 64 HG SER 7 HG SER 7 -4.745 5.496 4.105 65 H GLU 8 H GLU 8 -1.005 3.220 6.112 66 HA GLU 8 HA GLU 8 0.271 1.308 4.088 67 HB2 GLU 8 1HB GLU 8 1.605 2.535 6.553 68 HB3 GLU 8 2HB GLU 8 2.292 1.378 5.423 69 HG2 GLU 8 1HG GLU 8 1.657 3.206 3.539 70 HG3 GLU 8 2HG GLU 8 1.549 4.315 4.897 71 H ILE 9 H ILE 9 -0.712 -0.641 4.336 72 HA ILE 9 HA ILE 9 -1.391 -1.619 7.167 73 HB ILE 9 HB ILE 9 -2.687 -2.373 4.499 74 HG12 ILE 9 1HG1 ILE 9 -4.794 -1.701 6.103 75 HG13 ILE 9 2HG1 ILE 9 -3.594 -0.754 6.944 76 HG21 ILE 9 1HG2 ILE 9 -3.084 -3.778 7.187 77 HG22 ILE 9 2HG2 ILE 9 -4.257 -3.838 5.846 78 HG23 ILE 9 3HG2 ILE 9 -2.639 -4.460 5.591 79 HD11 ILE 9 3HD1 ILE 9 -4.845 0.530 5.185 80 HD12 ILE 9 1HD1 ILE 9 -3.119 0.503 4.773 81 HD13 ILE 9 2HD1 ILE 9 -4.252 -0.559 3.915 82 H THR 10 H THR 10 -0.862 -3.582 7.798 83 HA THR 10 HA THR 10 1.746 -4.686 6.924 84 HB THR 10 HB THR 10 -0.320 -5.444 9.113 85 HG1 THR 10 HG1 THR 10 1.007 -3.370 9.013 86 HG21 THR 10 3HG2 THR 10 2.631 -6.339 9.004 87 HG22 THR 10 1HG2 THR 10 1.528 -6.500 10.388 88 HG23 THR 10 2HG2 THR 10 1.206 -7.417 8.910 89 H ALA 11 H ALA 11 2.135 -6.940 6.563 90 HA ALA 11 HA ALA 11 0.694 -7.971 4.360 91 HB1 ALA 11 3HB ALA 11 2.227 -10.007 4.634 92 HB2 ALA 11 1HB ALA 11 3.063 -8.453 4.704 93 HB3 ALA 11 2HB ALA 11 2.742 -9.366 6.207 94 H LEU 12 H LEU 12 -0.841 -9.327 3.985 95 HA LEU 12 HA LEU 12 -2.061 -11.038 6.188 96 HB2 LEU 12 1HB LEU 12 -3.285 -9.266 4.085 97 HB3 LEU 12 2HB LEU 12 -3.892 -10.880 3.929 98 HG LEU 12 HG LEU 12 -3.824 -9.463 6.678 99 HD11 LEU 12 1HD1 LEU 12 -5.087 -7.998 5.136 100 HD12 LEU 12 2HD1 LEU 12 -6.099 -9.358 4.596 101 HD13 LEU 12 3HD1 LEU 12 -6.184 -8.782 6.272 102 HD21 LEU 12 3HD2 LEU 12 -5.551 -11.800 5.567 103 HD22 LEU 12 1HD2 LEU 12 -4.248 -11.944 6.770 104 HD23 LEU 12 2HD2 LEU 12 -5.722 -11.062 7.178 105 H VAL 13 H VAL 13 -2.562 -13.081 5.700 106 HA VAL 13 HA VAL 13 -0.820 -14.716 3.998 107 HB VAL 13 HB VAL 13 -2.461 -16.594 4.594 108 HG11 VAL 13 1HG1 VAL 13 -0.410 -16.175 5.959 109 HG12 VAL 13 2HG1 VAL 13 -1.309 -15.060 7.009 110 HG13 VAL 13 3HG1 VAL 13 -1.750 -16.778 6.946 111 HG21 VAL 13 3HG2 VAL 13 -3.872 -14.529 6.404 112 HG22 VAL 13 1HG2 VAL 13 -4.571 -15.298 4.962 113 HG23 VAL 13 2HG2 VAL 13 -4.123 -16.275 6.385 114 H LYS 14 H LYS 14 -1.191 -15.780 2.104 115 HA LYS 14 HA LYS 14 -2.778 -14.339 0.163 116 HB2 LYS 14 1HB LYS 14 -0.544 -15.783 -0.094 117 HB3 LYS 14 2HB LYS 14 -1.624 -17.125 -0.371 118 HG2 LYS 14 1HG LYS 14 -2.717 -15.354 -2.217 119 HG3 LYS 14 2HG LYS 14 -1.186 -14.557 -1.996 120 HD2 LYS 14 1HD LYS 14 -0.975 -15.930 -3.927 121 HD3 LYS 14 2HD LYS 14 0.046 -16.635 -2.703 122 HE2 LYS 14 1HE LYS 14 -1.040 -18.433 -3.871 123 HE3 LYS 14 2HE LYS 14 -1.727 -18.440 -2.252 124 HZ1 LYS 14 3HZ LYS 14 -3.328 -18.447 -4.444 125 HZ2 LYS 14 1HZ LYS 14 -3.848 -17.645 -3.109 126 HZ3 LYS 14 2HZ LYS 14 -3.142 -16.815 -4.331 127 H GLU 15 H GLU 15 -4.660 -14.691 -0.864 128 HA GLU 15 HA GLU 15 -6.768 -16.263 0.138 129 HB2 GLU 15 1HB GLU 15 -6.347 -15.050 -2.683 130 HB3 GLU 15 2HB GLU 15 -7.890 -15.631 -2.086 131 HG2 GLU 15 1HG GLU 15 -7.969 -13.294 -1.865 132 HG3 GLU 15 2HG GLU 15 -7.841 -13.892 -0.230 133 H VAL 16 H VAL 16 -7.184 -18.371 0.043 134 HA VAL 16 HA VAL 16 -6.515 -20.067 -2.400 135 HB VAL 16 HB VAL 16 -5.563 -20.810 0.456 136 HG11 VAL 16 1HG1 VAL 16 -5.299 -22.452 -2.170 137 HG12 VAL 16 2HG1 VAL 16 -4.527 -22.833 -0.613 138 HG13 VAL 16 3HG1 VAL 16 -6.277 -22.884 -0.743 139 HG21 VAL 16 3HG2 VAL 16 -3.976 -19.189 -0.667 140 HG22 VAL 16 1HG2 VAL 16 -3.253 -20.792 -0.507 141 HG23 VAL 16 2HG2 VAL 16 -3.879 -20.257 -2.092 142 H THR 17 H THR 17 -8.050 -21.616 -2.766 143 HA THR 17 HA THR 17 -10.617 -21.429 -1.223 144 HB THR 17 HB THR 17 -9.968 -23.042 -3.754 145 HG1 THR 17 HG1 THR 17 -10.200 -20.554 -3.418 146 HG21 THR 17 3HG2 THR 17 -12.693 -22.468 -2.408 147 HG22 THR 17 1HG2 THR 17 -12.451 -23.168 -4.020 148 HG23 THR 17 2HG2 THR 17 -11.960 -24.078 -2.580 149 HA PRO 18 HA PRO 18 -9.803 -25.861 0.386 150 HB2 PRO 18 1HB PRO 18 -7.439 -27.259 -0.086 151 HB3 PRO 18 2HB PRO 18 -8.814 -27.247 -1.207 152 HG2 PRO 18 1HG PRO 18 -6.311 -25.459 -1.328 153 HG3 PRO 18 2HG PRO 18 -6.968 -26.482 -2.637 154 HD2 PRO 18 1HD PRO 18 -7.561 -23.787 -2.465 155 HD3 PRO 18 2HD PRO 18 -8.799 -24.922 -3.038 156 HA PRO 19 HA PRO 19 -7.823 -24.140 3.953 157 HB2 PRO 19 1HB PRO 19 -7.693 -26.168 5.826 158 HB3 PRO 19 2HB PRO 19 -9.209 -25.569 5.119 159 HG2 PRO 19 1HG PRO 19 -7.582 -28.017 4.184 160 HG3 PRO 19 2HG PRO 19 -9.307 -27.987 4.635 161 HD2 PRO 19 1HD PRO 19 -8.548 -27.760 1.992 162 HD3 PRO 19 2HD PRO 19 -9.919 -26.788 2.612 163 H ARG 20 H ARG 20 -5.915 -23.873 2.503 164 HA ARG 20 HA ARG 20 -3.393 -24.512 4.131 165 HB2 ARG 20 1HB ARG 20 -3.686 -26.179 2.232 166 HB3 ARG 20 2HB ARG 20 -3.672 -24.857 1.070 167 HG2 ARG 20 1HG ARG 20 -1.299 -24.239 1.936 168 HG3 ARG 20 2HG ARG 20 -1.365 -25.662 2.979 169 HD2 ARG 20 1HD ARG 20 -1.646 -27.148 0.939 170 HD3 ARG 20 2HD ARG 20 -1.625 -25.701 -0.110 171 HE ARG 20 HE ARG 20 0.765 -25.609 1.566 172 HH11 ARG 20 2HH2 ARG 20 -0.475 -27.531 -1.047 173 HH12 ARG 20 1HH2 ARG 20 1.203 -27.955 -1.636 174 HH21 ARG 20 2HH1 ARG 20 2.650 -26.097 0.879 175 HH22 ARG 20 1HH1 ARG 20 2.877 -27.163 -0.577 176 H LYS 21 H LYS 21 -2.662 -22.574 4.700 177 HA LYS 21 HA LYS 21 -3.132 -20.127 2.921 178 HB2 LYS 21 1HB LYS 21 -2.632 -20.480 5.940 179 HB3 LYS 21 2HB LYS 21 -2.503 -18.912 5.156 180 HG2 LYS 21 1HG LYS 21 -4.792 -19.012 4.276 181 HG3 LYS 21 2HG LYS 21 -5.033 -20.657 4.852 182 HD2 LYS 21 1HD LYS 21 -4.866 -19.994 7.203 183 HD3 LYS 21 2HD LYS 21 -4.410 -18.355 6.820 184 HE2 LYS 21 1HE LYS 21 -7.110 -19.693 6.082 185 HE3 LYS 21 2HE LYS 21 -6.851 -18.680 7.504 186 HZ1 LYS 21 3HZ LYS 21 -6.455 -17.678 4.681 187 HZ2 LYS 21 1HZ LYS 21 -7.805 -17.374 5.554 188 HZ3 LYS 21 2HZ LYS 21 -6.360 -16.751 6.024 189 H ALA 22 H ALA 22 -1.554 -19.373 1.759 190 HA ALA 22 HA ALA 22 1.277 -20.230 2.155 191 HB1 ALA 22 3HB ALA 22 0.120 -18.347 0.010 192 HB2 ALA 22 1HB ALA 22 1.704 -19.125 -0.009 193 HB3 ALA 22 2HB ALA 22 0.240 -20.117 -0.128 194 HA PRO 23 HA PRO 23 2.320 -16.315 4.361 195 HB2 PRO 23 1HB PRO 23 5.004 -16.674 4.818 196 HB3 PRO 23 2HB PRO 23 3.759 -17.714 5.531 197 HG2 PRO 23 1HG PRO 23 5.372 -18.288 2.961 198 HG3 PRO 23 2HG PRO 23 5.232 -19.342 4.393 199 HD2 PRO 23 1HD PRO 23 3.574 -19.672 2.197 200 HD3 PRO 23 2HD PRO 23 2.946 -19.931 3.854 201 H SER 24 H SER 24 1.642 -15.389 2.249 202 HA SER 24 HA SER 24 3.529 -14.400 0.306 203 HB2 SER 24 1HB SER 24 1.645 -12.974 -0.522 204 HB3 SER 24 2HB SER 24 1.279 -14.676 -0.320 205 HG SER 24 HG SER 24 0.648 -12.735 1.692 206 H LYS 25 H LYS 25 4.579 -12.533 0.036 207 HA LYS 25 HA LYS 25 4.910 -10.557 2.323 208 HB2 LYS 25 1HB LYS 25 6.303 -10.875 -0.395 209 HB3 LYS 25 2HB LYS 25 6.405 -9.378 0.481 210 HG2 LYS 25 1HG LYS 25 8.353 -10.668 0.890 211 HG3 LYS 25 2HG LYS 25 7.533 -10.335 2.388 212 HD2 LYS 25 1HD LYS 25 7.017 -13.035 0.999 213 HD3 LYS 25 2HD LYS 25 8.601 -12.749 1.701 214 HE2 LYS 25 1HE LYS 25 7.659 -12.299 3.954 215 HE3 LYS 25 2HE LYS 25 6.002 -12.406 3.356 216 HZ1 LYS 25 3HZ LYS 25 6.223 -14.743 2.912 217 HZ2 LYS 25 1HZ LYS 25 7.875 -14.725 2.973 218 HZ3 LYS 25 2HZ LYS 25 6.993 -14.578 4.356 219 H ALA 26 H ALA 26 2.905 -9.753 2.469 220 HA ALA 26 HA ALA 26 1.625 -8.348 0.138 221 HB1 ALA 26 3HB ALA 26 -0.430 -8.482 1.703 222 HB2 ALA 26 1HB ALA 26 0.248 -10.031 1.190 223 HB3 ALA 26 2HB ALA 26 0.594 -9.451 2.798 224 H LYS 27 H LYS 27 1.479 -6.293 -0.030 225 HA LYS 27 HA LYS 27 1.779 -4.425 2.377 226 HB2 LYS 27 1HB LYS 27 3.671 -4.684 -0.046 227 HB3 LYS 27 2HB LYS 27 3.396 -3.125 0.602 228 HG2 LYS 27 1HG LYS 27 4.980 -3.436 2.085 229 HG3 LYS 27 2HG LYS 27 3.859 -4.389 3.010 230 HD2 LYS 27 1HD LYS 27 4.751 -6.383 1.316 231 HD3 LYS 27 2HD LYS 27 6.121 -5.306 1.149 232 HE2 LYS 27 1HE LYS 27 4.983 -6.560 3.750 233 HE3 LYS 27 2HE LYS 27 6.426 -7.097 2.891 234 HZ1 LYS 27 3HZ LYS 27 7.465 -4.849 3.394 235 HZ2 LYS 27 1HZ LYS 27 6.137 -4.401 4.230 236 HZ3 LYS 27 2HZ LYS 27 7.075 -5.624 4.798 237 H ARG 28 H ARG 28 0.635 -2.671 2.346 238 HA ARG 28 HA ARG 28 -1.031 -1.997 -0.135 239 HB2 ARG 28 1HB ARG 28 -2.396 -1.835 2.566 240 HB3 ARG 28 2HB ARG 28 -3.074 -1.873 0.967 241 HG2 ARG 28 1HG ARG 28 -2.377 -4.331 0.770 242 HG3 ARG 28 2HG ARG 28 -1.781 -4.288 2.417 243 HD2 ARG 28 1HD ARG 28 -3.986 -3.920 3.381 244 HD3 ARG 28 2HD ARG 28 -4.716 -3.584 1.794 245 HE ARG 28 HE ARG 28 -3.404 -6.229 1.727 246 HH11 ARG 28 2HH2 ARG 28 -6.294 -4.731 2.946 247 HH12 ARG 28 1HH2 ARG 28 -7.249 -6.283 2.770 248 HH21 ARG 28 2HH1 ARG 28 -4.511 -7.977 1.564 249 HH22 ARG 28 1HH1 ARG 28 -6.263 -8.017 2.021 250 H GLU 29 H GLU 29 -0.319 0.013 -0.600 251 HA GLU 29 HA GLU 29 0.183 2.025 1.646 252 HB2 GLU 29 1HB GLU 29 2.307 1.497 -0.527 253 HB3 GLU 29 2HB GLU 29 2.300 2.814 0.625 254 HG2 GLU 29 1HG GLU 29 3.756 1.408 1.700 255 HG3 GLU 29 2HG GLU 29 2.293 0.985 2.523 256 H ALA 30 H ALA 30 -0.321 4.047 1.141 257 HA ALA 30 HA ALA 30 -1.169 4.817 -1.666 258 HB1 ALA 30 3HB ALA 30 -2.621 5.349 0.325 259 HB2 ALA 30 1HB ALA 30 -1.277 6.306 1.016 260 HB3 ALA 30 2HB ALA 30 -2.093 6.818 -0.468 261 HA PRO 31 HA PRO 31 2.961 7.044 -1.828 262 HB2 PRO 31 1HB PRO 31 3.566 6.786 -4.466 263 HB3 PRO 31 2HB PRO 31 3.673 5.453 -3.312 264 HG2 PRO 31 1HG PRO 31 1.335 6.043 -5.232 265 HG3 PRO 31 2HG PRO 31 2.192 4.495 -5.030 266 HD2 PRO 31 1HD PRO 31 -0.201 5.084 -3.726 267 HD3 PRO 31 2HD PRO 31 1.041 4.030 -2.980 268 H ILE 32 H ILE 32 1.552 8.001 -4.908 269 HA ILE 32 HA ILE 32 0.929 10.757 -3.722 270 HB ILE 32 HB ILE 32 1.955 11.845 -5.742 271 HG12 ILE 32 1HG1 ILE 32 3.233 9.114 -6.254 272 HG13 ILE 32 2HG1 ILE 32 2.164 10.007 -7.303 273 HG21 ILE 32 1HG2 ILE 32 2.903 11.749 -3.393 274 HG22 ILE 32 2HG2 ILE 32 4.023 10.476 -3.930 275 HG23 ILE 32 3HG2 ILE 32 4.063 12.093 -4.674 276 HD11 ILE 32 3HD1 ILE 32 4.169 11.890 -7.194 277 HD12 ILE 32 1HD1 ILE 32 5.092 10.438 -6.746 278 HD13 ILE 32 2HD1 ILE 32 4.273 10.468 -8.258 279 H LYS 33 H LYS 33 -0.880 11.673 -4.442 280 HA LYS 33 HA LYS 33 -2.574 10.338 -6.554 281 HB2 LYS 33 1HB LYS 33 -3.373 11.422 -4.234 282 HB3 LYS 33 2HB LYS 33 -3.297 12.942 -5.100 283 HG2 LYS 33 1HG LYS 33 -5.553 12.232 -5.226 284 HG3 LYS 33 2HG LYS 33 -4.957 11.949 -6.834 285 HD2 LYS 33 1HD LYS 33 -4.977 9.631 -6.660 286 HD3 LYS 33 2HD LYS 33 -4.685 9.572 -4.941 287 HE2 LYS 33 1HE LYS 33 -7.390 10.462 -6.186 288 HE3 LYS 33 2HE LYS 33 -6.993 8.811 -5.760 289 HZ1 LYS 33 3HZ LYS 33 -7.593 11.041 -3.905 290 HZ2 LYS 33 1HZ LYS 33 -7.916 9.464 -3.730 291 HZ3 LYS 33 2HZ LYS 33 -6.395 9.997 -3.394 292 H TYR 34 H TYR 34 -0.241 12.723 -6.668 293 HA TYR 34 HA TYR 34 -1.322 14.339 -8.966 294 HB2 TYR 34 1HB TYR 34 0.391 15.193 -7.244 295 HB3 TYR 34 2HB TYR 34 1.566 14.095 -7.922 296 HD1 TYR 34 HD1 TYR 34 -0.885 16.746 -9.234 297 HD2 TYR 34 HD2 TYR 34 3.122 15.163 -9.341 298 HE1 TYR 34 HE1 TYR 34 -0.234 18.497 -10.815 299 HE2 TYR 34 HE2 TYR 34 3.760 16.913 -10.944 300 HH TYR 34 HH TYR 34 1.436 19.003 -12.434 301 H TRP 35 H TRP 35 1.073 11.664 -8.745 302 HA TRP 35 HA TRP 35 1.059 11.344 -11.769 303 HB2 TRP 35 1HB TRP 35 2.493 9.733 -9.565 304 HB3 TRP 35 2HB TRP 35 2.464 9.257 -11.248 305 HD1 TRP 35 HD1 TRP 35 3.110 13.124 -10.580 306 HE1 TRP 35 HE1 TRP 35 5.600 13.720 -11.197 307 HE3 TRP 35 HE3 TRP 35 4.726 8.311 -11.425 308 HZ2 TRP 35 HZ2 TRP 35 7.884 12.179 -11.873 309 HZ3 TRP 35 HZ3 TRP 35 7.087 7.962 -12.095 310 HH2 TRP 35 HH2 TRP 35 8.635 9.852 -12.314 311 H LEU 36 H LEU 36 -0.192 9.431 -8.927 312 HA LEU 36 HA LEU 36 -1.437 7.516 -10.958 313 HB2 LEU 36 1HB LEU 36 -0.835 7.088 -7.968 314 HB3 LEU 36 2HB LEU 36 -1.634 5.919 -9.007 315 HG LEU 36 HG LEU 36 1.266 6.920 -9.375 316 HD11 LEU 36 1HD1 LEU 36 1.893 4.666 -8.533 317 HD12 LEU 36 2HD1 LEU 36 0.895 5.496 -7.333 318 HD13 LEU 36 3HD1 LEU 36 0.185 4.216 -8.330 319 HD21 LEU 36 3HD2 LEU 36 1.490 5.006 -11.000 320 HD22 LEU 36 1HD2 LEU 36 -0.258 4.686 -10.893 321 HD23 LEU 36 2HD2 LEU 36 0.342 6.207 -11.593 322 HA PRO 37 HA PRO 37 -5.396 9.323 -9.537 323 HB2 PRO 37 1HB PRO 37 -7.233 7.716 -10.874 324 HB3 PRO 37 2HB PRO 37 -6.200 8.928 -11.658 325 HG2 PRO 37 1HG PRO 37 -5.640 5.909 -11.417 326 HG3 PRO 37 2HG PRO 37 -5.625 6.895 -12.902 327 HD2 PRO 37 1HD PRO 37 -3.288 6.348 -11.539 328 HD3 PRO 37 2HD PRO 37 -3.525 7.956 -12.300 329 H HIS 38 H HIS 38 -4.522 6.095 -8.657 330 HA HIS 38 HA HIS 38 -6.466 6.290 -6.274 331 HB2 HIS 38 1HB HIS 38 -6.971 4.495 -8.030 332 HB3 HIS 38 2HB HIS 38 -5.452 3.713 -7.641 333 HD1 HIS 38 HD1 HIS 38 -5.282 2.464 -5.208 334 HD2 HIS 38 HD2 HIS 38 -9.054 4.295 -6.150 335 HE1 HIS 38 HE1 HIS 38 -7.099 1.626 -3.579 336 HE2 HIS 38 HE2 HIS 38 -9.407 2.683 -4.057 337 H SER 39 H SER 39 -5.134 7.158 -4.767 338 HA SER 39 HA SER 39 -2.415 6.008 -4.106 339 HB2 SER 39 1HB SER 39 -2.298 7.669 -2.366 340 HB3 SER 39 2HB SER 39 -2.741 8.412 -3.880 341 HG SER 39 HG SER 39 -4.560 7.690 -1.799 342 H GLY 40 H GLY 40 -2.731 3.943 -3.547 343 HA2 GLY 40 1HA GLY 40 -2.887 2.930 -1.047 344 HA3 GLY 40 2HA GLY 40 -4.616 3.129 -1.273 345 H ALA 41 H ALA 41 -1.765 1.480 -2.539 346 HA ALA 41 HA ALA 41 -3.590 -0.458 -4.098 347 HB1 ALA 41 3HB ALA 41 -1.674 -0.744 -5.643 348 HB2 ALA 41 1HB ALA 41 -2.143 0.956 -5.502 349 HB3 ALA 41 2HB ALA 41 -0.677 0.368 -4.681 350 H THR 42 H THR 42 -3.799 -2.377 -3.229 351 HA THR 42 HA THR 42 -1.800 -3.662 -1.418 352 HB THR 42 HB THR 42 -4.098 -3.964 -0.902 353 HG1 THR 42 HG1 THR 42 -3.209 -6.460 -1.810 354 HG21 THR 42 3HG2 THR 42 -5.610 -5.505 -2.085 355 HG22 THR 42 1HG2 THR 42 -5.277 -4.114 -3.128 356 HG23 THR 42 2HG2 THR 42 -4.490 -5.668 -3.453 357 H TRP 43 H TRP 43 -0.041 -4.633 -2.131 358 HA TRP 43 HA TRP 43 -0.259 -6.420 -4.634 359 HB2 TRP 43 1HB TRP 43 1.450 -4.533 -4.732 360 HB3 TRP 43 2HB TRP 43 2.368 -5.358 -3.469 361 HD1 TRP 43 HD1 TRP 43 2.055 -8.520 -4.745 362 HE1 TRP 43 HE1 TRP 43 3.318 -9.212 -6.929 363 HE3 TRP 43 HE3 TRP 43 2.858 -3.776 -6.545 364 HZ2 TRP 43 HZ2 TRP 43 4.703 -7.777 -8.935 365 HZ3 TRP 43 HZ3 TRP 43 4.249 -3.514 -8.596 366 HH2 TRP 43 HH2 TRP 43 5.188 -5.494 -9.740 367 H SER 44 H SER 44 -0.975 -8.336 -3.678 368 HA SER 44 HA SER 44 0.485 -9.464 -1.258 369 HB2 SER 44 1HB SER 44 -1.223 -11.186 -1.171 370 HB3 SER 44 2HB SER 44 -1.881 -9.550 -1.053 371 HG SER 44 HG SER 44 -3.031 -11.065 -2.470 372 H GLY 45 H GLY 45 2.495 -9.932 -2.114 373 HA2 GLY 45 1HA GLY 45 3.044 -12.565 -3.069 374 HA3 GLY 45 2HA GLY 45 2.800 -11.670 -4.558 375 H ARG 46 H ARG 46 4.151 -9.714 -4.811 376 HA ARG 46 HA ARG 46 7.047 -10.339 -4.180 377 HB2 ARG 46 1HB ARG 46 6.187 -9.722 -6.496 378 HB3 ARG 46 2HB ARG 46 5.773 -8.115 -5.924 379 HG2 ARG 46 1HG ARG 46 8.656 -9.147 -5.695 380 HG3 ARG 46 2HG ARG 46 8.038 -8.699 -7.254 381 HD2 ARG 46 1HD ARG 46 7.771 -6.686 -4.945 382 HD3 ARG 46 2HD ARG 46 9.349 -6.965 -5.690 383 HE ARG 46 HE ARG 46 7.373 -6.470 -7.803 384 HH11 ARG 46 2HH2 ARG 46 9.073 -4.751 -5.283 385 HH12 ARG 46 1HH2 ARG 46 9.088 -3.206 -6.262 386 HH21 ARG 46 2HH1 ARG 46 7.431 -4.699 -8.877 387 HH22 ARG 46 1HH1 ARG 46 8.175 -3.192 -8.187 388 H GLY 47 H GLY 47 8.396 -8.920 -3.080 389 HA2 GLY 47 1HA GLY 47 7.335 -7.172 -0.911 390 HA3 GLY 47 2HA GLY 47 9.017 -7.325 -1.365 391 H LYS 48 H LYS 48 6.042 -5.954 -2.563 392 HA LYS 48 HA LYS 48 7.372 -3.472 -3.666 393 HB2 LYS 48 1HB LYS 48 5.581 -4.361 -4.883 394 HB3 LYS 48 2HB LYS 48 4.520 -4.557 -3.525 395 HG2 LYS 48 1HG LYS 48 5.343 -1.706 -4.391 396 HG3 LYS 48 2HG LYS 48 4.176 -2.619 -5.309 397 HD2 LYS 48 1HD LYS 48 2.953 -3.045 -2.952 398 HD3 LYS 48 2HD LYS 48 3.998 -1.753 -2.379 399 HE2 LYS 48 1HE LYS 48 2.973 -0.328 -4.396 400 HE3 LYS 48 2HE LYS 48 1.784 -1.637 -4.526 401 HZ1 LYS 48 3HZ LYS 48 2.256 -0.688 -1.762 402 HZ2 LYS 48 1HZ LYS 48 1.497 0.417 -2.706 403 HZ3 LYS 48 2HZ LYS 48 0.831 -1.074 -2.475 404 H ILE 49 H ILE 49 8.268 -2.223 -2.113 405 HA ILE 49 HA ILE 49 6.339 -0.958 -0.091 406 HB ILE 49 HB ILE 49 9.392 -1.224 0.346 407 HG12 ILE 49 1HG1 ILE 49 8.460 -2.551 2.510 408 HG13 ILE 49 2HG1 ILE 49 7.073 -2.897 1.485 409 HG21 ILE 49 1HG2 ILE 49 8.869 -0.280 2.613 410 HG22 ILE 49 2HG2 ILE 49 8.335 0.843 1.363 411 HG23 ILE 49 3HG2 ILE 49 7.138 -0.162 2.204 412 HD11 ILE 49 3HD1 ILE 49 8.645 -4.056 -0.169 413 HD12 ILE 49 1HD1 ILE 49 10.028 -3.599 0.838 414 HD13 ILE 49 2HD1 ILE 49 8.809 -4.730 1.454 415 HA PRO 50 HA PRO 50 7.906 2.277 -3.074 416 HB2 PRO 50 1HB PRO 50 5.850 4.115 -2.953 417 HB3 PRO 50 2HB PRO 50 5.602 2.484 -3.616 418 HG2 PRO 50 1HG PRO 50 5.017 3.415 -0.727 419 HG3 PRO 50 2HG PRO 50 3.873 2.639 -1.847 420 HD2 PRO 50 1HD PRO 50 5.346 1.183 0.035 421 HD3 PRO 50 2HD PRO 50 4.918 0.469 -1.544 422 H LYS 51 H LYS 51 9.091 2.153 -0.628 423 HA LYS 51 HA LYS 51 9.440 4.944 0.433 424 HB2 LYS 51 1HB LYS 51 10.297 2.296 1.421 425 HB3 LYS 51 2HB LYS 51 11.688 3.309 1.282 426 HG2 LYS 51 1HG LYS 51 11.010 3.714 3.421 427 HG3 LYS 51 2HG LYS 51 10.470 5.157 2.609 428 HD2 LYS 51 1HD LYS 51 8.652 2.730 3.298 429 HD3 LYS 51 2HD LYS 51 8.964 4.085 4.378 430 HE2 LYS 51 1HE LYS 51 7.976 5.686 2.579 431 HE3 LYS 51 2HE LYS 51 7.513 4.271 1.642 432 HZ1 LYS 51 3HZ LYS 51 6.255 3.475 3.748 433 HZ2 LYS 51 1HZ LYS 51 6.517 4.913 4.441 434 HZ3 LYS 51 2HZ LYS 51 5.604 4.781 3.119 435 HA PRO 52 HA PRO 52 13.455 5.261 -2.214 436 HB2 PRO 52 1HB PRO 52 13.802 3.603 -4.440 437 HB3 PRO 52 2HB PRO 52 14.460 3.295 -2.823 438 HG2 PRO 52 1HG PRO 52 11.845 2.179 -4.000 439 HG3 PRO 52 2HG PRO 52 13.156 1.260 -3.222 440 HD2 PRO 52 1HD PRO 52 10.926 1.982 -1.816 441 HD3 PRO 52 2HD PRO 52 12.514 2.046 -1.005 442 H PHE 53 H PHE 53 10.384 4.456 -3.651 443 HA PHE 53 HA PHE 53 10.549 6.518 -5.849 444 HB2 PHE 53 1HB PHE 53 9.218 4.517 -6.266 445 HB3 PHE 53 2HB PHE 53 8.251 4.759 -4.825 446 HD1 PHE 53 HD2 PHE 53 9.122 6.477 -8.106 447 HD2 PHE 53 HD1 PHE 53 6.258 6.115 -4.916 448 HE1 PHE 53 HE2 PHE 53 7.495 7.785 -9.412 449 HE2 PHE 53 HE1 PHE 53 4.657 7.449 -6.204 450 HZ PHE 53 HZ PHE 53 5.252 8.264 -8.484 451 H GLU 54 H GLU 54 8.587 6.244 -2.792 452 HA GLU 54 HA GLU 54 7.748 9.057 -2.914 453 HB2 GLU 54 1HB GLU 54 6.516 7.159 -1.813 454 HB3 GLU 54 2HB GLU 54 7.682 7.159 -0.497 455 HG2 GLU 54 1HG GLU 54 7.007 9.420 0.195 456 HG3 GLU 54 2HG GLU 54 6.066 9.657 -1.311 457 H ALA 55 H ALA 55 10.681 7.675 -1.740 458 HA ALA 55 HA ALA 55 11.620 10.053 -0.174 459 HB1 ALA 55 3HB ALA 55 12.534 7.814 0.335 460 HB2 ALA 55 1HB ALA 55 13.190 7.650 -1.309 461 HB3 ALA 55 2HB ALA 55 13.809 8.894 -0.223 462 H TRP 56 H TRP 56 12.349 8.804 -3.522 463 HA TRP 56 HA TRP 56 13.845 11.290 -4.209 464 HB2 TRP 56 1HB TRP 56 14.130 8.963 -5.370 465 HB3 TRP 56 2HB TRP 56 12.673 9.336 -6.285 466 HD1 TRP 56 HD1 TRP 56 16.433 10.340 -5.899 467 HE1 TRP 56 HE1 TRP 56 17.257 12.012 -7.754 468 HE3 TRP 56 HE3 TRP 56 11.822 11.293 -7.989 469 HZ2 TRP 56 HZ2 TRP 56 15.947 13.524 -9.769 470 HZ3 TRP 56 HZ3 TRP 56 11.692 12.928 -9.854 471 HH2 TRP 56 HH2 TRP 56 13.709 14.023 -10.720 472 H ILE 57 H ILE 57 10.481 10.221 -4.742 473 HA ILE 57 HA ILE 57 9.540 12.832 -5.858 474 HB ILE 57 HB ILE 57 8.202 10.393 -4.598 475 HG12 ILE 57 1HG1 ILE 57 9.072 10.011 -6.831 476 HG13 ILE 57 2HG1 ILE 57 7.351 9.863 -6.720 477 HG21 ILE 57 1HG2 ILE 57 6.501 12.676 -5.678 478 HG22 ILE 57 2HG2 ILE 57 6.042 11.066 -5.051 479 HG23 ILE 57 3HG2 ILE 57 6.696 12.250 -3.965 480 HD11 ILE 57 3HD1 ILE 57 7.055 12.125 -7.860 481 HD12 ILE 57 1HD1 ILE 57 8.823 12.278 -7.981 482 HD13 ILE 57 2HD1 ILE 57 7.978 10.969 -8.831 483 H GLY 58 H GLY 58 10.847 12.366 -2.844 484 HA2 GLY 58 1HA GLY 58 9.554 14.981 -1.929 485 HA3 GLY 58 2HA GLY 58 10.065 13.804 -0.740 486 H THR 59 H THR 59 12.667 13.314 -2.353 487 HA THR 59 HA THR 59 14.456 14.954 -1.028 488 HB THR 59 HB THR 59 14.831 14.007 -3.947 489 HG1 THR 59 HG1 THR 59 15.868 12.251 -2.783 490 HG21 THR 59 3HG2 THR 59 16.963 14.481 -1.743 491 HG22 THR 59 1HG2 THR 59 17.261 13.775 -3.352 492 HG23 THR 59 2HG2 THR 59 16.771 15.463 -3.206 493 H ALA 60 H ALA 60 13.110 15.840 -4.097 494 HA ALA 60 HA ALA 60 13.631 18.781 -3.522 495 HB1 ALA 60 3HB ALA 60 15.346 18.125 -5.244 496 HB2 ALA 60 1HB ALA 60 14.064 17.582 -6.348 497 HB3 ALA 60 2HB ALA 60 14.187 19.296 -5.899 498 H ALA 61 H ALA 61 11.549 16.439 -5.164 499 HA ALA 61 HA ALA 61 9.615 18.360 -6.206 500 HB1 ALA 61 3HB ALA 61 8.153 16.295 -6.462 501 HB2 ALA 61 1HB ALA 61 9.799 16.101 -7.116 502 HB3 ALA 61 2HB ALA 61 9.366 15.376 -5.555 503 H TYR 62 H TYR 62 9.865 17.144 -3.018 504 HA TYR 62 HA TYR 62 7.212 17.501 -1.954 505 HB2 TYR 62 1HB TYR 62 9.223 16.628 -0.651 506 HB3 TYR 62 2HB TYR 62 9.825 18.253 -0.512 507 HD1 TYR 62 HD1 TYR 62 6.504 16.421 0.113 508 HD2 TYR 62 HD2 TYR 62 9.449 19.154 1.663 509 HE1 TYR 62 HE1 TYR 62 5.262 16.566 2.234 510 HE2 TYR 62 HE2 TYR 62 8.191 19.294 3.771 511 HH TYR 62 HH TYR 62 5.160 17.508 4.289 512 H THR 63 H THR 63 9.562 20.143 -2.504 513 HA THR 63 HA THR 63 7.820 22.238 -1.345 514 HB THR 63 HB THR 63 10.254 22.481 -1.548 515 HG1 THR 63 HG1 THR 63 9.992 24.709 -2.365 516 HG21 THR 63 3HG2 THR 63 10.666 21.851 -4.006 517 HG22 THR 63 1HG2 THR 63 9.810 23.326 -4.485 518 HG23 THR 63 2HG2 THR 63 11.311 23.429 -3.542 519 H ALA 64 H ALA 64 7.918 20.850 -4.539 520 HA ALA 64 HA ALA 64 5.931 22.844 -5.700 521 HB1 ALA 64 3HB ALA 64 6.155 21.499 -7.786 522 HB2 ALA 64 1HB ALA 64 7.744 21.992 -7.188 523 HB3 ALA 64 2HB ALA 64 7.195 20.320 -6.955 524 H TRP 65 H TRP 65 6.074 19.428 -4.668 525 HA TRP 65 HA TRP 65 3.270 18.741 -5.078 526 HB2 TRP 65 1HB TRP 65 5.558 17.362 -4.283 527 HB3 TRP 65 2HB TRP 65 4.782 17.533 -2.728 528 HD1 TRP 65 HD1 TRP 65 4.554 15.683 -6.096 529 HE1 TRP 65 HE1 TRP 65 2.672 13.877 -6.160 530 HE3 TRP 65 HE3 TRP 65 2.246 17.034 -1.697 531 HZ2 TRP 65 HZ2 TRP 65 0.330 13.421 -4.581 532 HZ3 TRP 65 HZ3 TRP 65 0.169 15.852 -1.048 533 HH2 TRP 65 HH2 TRP 65 -0.780 14.079 -2.477 534 H LYS 66 H LYS 66 4.834 20.187 -2.231 535 HA LYS 66 HA LYS 66 2.410 20.491 -0.573 536 HB2 LYS 66 1HB LYS 66 5.165 21.885 -0.635 537 HB3 LYS 66 2HB LYS 66 3.955 22.365 0.514 538 HG2 LYS 66 1HG LYS 66 4.958 19.451 0.286 539 HG3 LYS 66 2HG LYS 66 5.750 20.625 1.280 540 HD2 LYS 66 1HD LYS 66 2.788 19.797 1.555 541 HD3 LYS 66 2HD LYS 66 4.096 19.064 2.447 542 HE2 LYS 66 1HE LYS 66 4.645 21.135 3.662 543 HE3 LYS 66 2HE LYS 66 3.542 22.104 2.674 544 HZ1 LYS 66 3HZ LYS 66 2.718 19.838 4.472 545 HZ2 LYS 66 1HZ LYS 66 2.306 21.419 4.702 546 HZ3 LYS 66 2HZ LYS 66 1.688 20.541 3.429 547 H ALA 67 H ALA 67 3.889 22.764 -2.949 548 HA ALA 67 HA ALA 67 1.827 24.854 -2.664 549 HB1 ALA 67 3HB ALA 67 2.658 25.611 -4.896 550 HB2 ALA 67 1HB ALA 67 4.018 25.200 -3.836 551 HB3 ALA 67 2HB ALA 67 3.530 24.082 -5.130 552 H LYS 68 H LYS 68 1.870 21.926 -4.778 553 HA LYS 68 HA LYS 68 -0.849 22.535 -5.882 554 HB2 LYS 68 1HB LYS 68 0.944 20.029 -5.952 555 HB3 LYS 68 2HB LYS 68 -0.571 20.137 -6.834 556 HG2 LYS 68 1HG LYS 68 0.178 21.693 -8.409 557 HG3 LYS 68 2HG LYS 68 1.371 22.432 -7.346 558 HD2 LYS 68 1HD LYS 68 2.794 20.350 -7.433 559 HD3 LYS 68 2HD LYS 68 1.644 19.616 -8.554 560 HE2 LYS 68 1HE LYS 68 2.049 21.677 -10.139 561 HE3 LYS 68 2HE LYS 68 3.283 22.225 -8.995 562 HZ1 LYS 68 3HZ LYS 68 4.411 20.871 -10.692 563 HZ2 LYS 68 1HZ LYS 68 4.368 19.906 -9.357 564 HZ3 LYS 68 2HZ LYS 68 3.303 19.662 -10.595 565 H HIS 69 H HIS 69 0.161 20.612 -3.093 566 HA HIS 69 HA HIS 69 -2.730 19.821 -2.510 567 HB2 HIS 69 1HB HIS 69 -0.300 17.933 -2.793 568 HB3 HIS 69 2HB HIS 69 -1.810 17.395 -2.078 569 HD1 HIS 69 HD1 HIS 69 -4.053 17.972 -4.019 570 HD2 HIS 69 HD2 HIS 69 -0.077 16.854 -5.173 571 HE1 HIS 69 HE1 HIS 69 -4.136 16.433 -6.094 572 HE2 HIS 69 HE2 HIS 69 -1.785 15.842 -6.962 573 HA PRO 70 HA PRO 70 -1.632 21.204 1.352 574 HB2 PRO 70 1HB PRO 70 -3.343 20.037 3.226 575 HB3 PRO 70 2HB PRO 70 -3.841 21.071 1.876 576 HG2 PRO 70 1HG PRO 70 -3.741 17.979 1.865 577 HG3 PRO 70 2HG PRO 70 -5.135 19.011 1.463 578 HD2 PRO 70 1HD PRO 70 -3.519 18.040 -0.512 579 HD3 PRO 70 2HD PRO 70 -4.121 19.729 -0.627 580 H ASP 71 H ASP 71 -1.922 18.254 3.315 581 HA ASP 71 HA ASP 71 1.041 17.764 2.895 582 HB2 ASP 71 1HB ASP 71 0.547 19.103 5.131 583 HB3 ASP 71 2HB ASP 71 -0.131 17.611 5.740 584 H GLU 72 H GLU 72 -0.645 16.533 1.528 585 HA GLU 72 HA GLU 72 -1.597 14.033 2.701 586 HB2 GLU 72 1HB GLU 72 -2.199 15.444 0.304 587 HB3 GLU 72 2HB GLU 72 -1.392 14.034 -0.304 588 HG2 GLU 72 1HG GLU 72 -3.591 13.209 -0.154 589 HG3 GLU 72 2HG GLU 72 -2.991 12.670 1.377 590 H LYS 73 H LYS 73 1.256 14.596 0.835 591 HA LYS 73 HA LYS 73 1.987 11.685 0.408 592 HB2 LYS 73 1HB LYS 73 2.273 13.114 -1.407 593 HB3 LYS 73 2HB LYS 73 3.031 14.404 -0.504 594 HG2 LYS 73 1HG LYS 73 4.451 11.702 -0.804 595 HG3 LYS 73 2HG LYS 73 4.385 12.842 -2.137 596 HD2 LYS 73 1HD LYS 73 5.258 14.714 -0.723 597 HD3 LYS 73 2HD LYS 73 5.430 13.671 0.669 598 HE2 LYS 73 1HE LYS 73 6.918 13.315 -2.020 599 HE3 LYS 73 2HE LYS 73 7.574 14.163 -0.625 600 HZ1 LYS 73 3HZ LYS 73 7.281 12.038 0.711 601 HZ2 LYS 73 1HZ LYS 73 6.661 11.307 -0.565 602 HZ3 LYS 73 2HZ LYS 73 8.241 11.675 -0.629 603 H PHE 74 H PHE 74 3.743 10.659 1.412 604 HA PHE 74 HA PHE 74 4.012 11.464 4.257 605 HB2 PHE 74 1HB PHE 74 3.803 9.038 3.284 606 HB3 PHE 74 2HB PHE 74 5.484 9.139 2.861 607 HD1 PHE 74 HD1 PHE 74 3.051 9.052 5.696 608 HD2 PHE 74 HD2 PHE 74 7.240 9.128 4.684 609 HE1 PHE 74 HE1 PHE 74 3.626 8.442 8.004 610 HE2 PHE 74 HE2 PHE 74 7.800 8.524 7.007 611 HZ PHE 74 HZ PHE 74 5.997 8.182 8.673 612 HA PRO 75 HA PRO 75 7.850 13.798 3.222 613 HB2 PRO 75 1HB PRO 75 8.565 14.806 5.686 614 HB3 PRO 75 2HB PRO 75 7.102 15.292 4.800 615 HG2 PRO 75 1HG PRO 75 7.298 13.161 7.021 616 HG3 PRO 75 2HG PRO 75 6.188 14.558 6.969 617 HD2 PRO 75 1HD PRO 75 5.393 12.048 6.110 618 HD3 PRO 75 2HD PRO 75 4.814 13.512 5.252 619 H ALA 76 H ALA 76 8.520 11.590 2.705 620 HA ALA 76 HA ALA 76 10.715 10.389 4.284 621 HB1 ALA 76 3HB ALA 76 9.678 9.760 1.434 622 HB2 ALA 76 1HB ALA 76 10.744 8.723 2.400 623 HB3 ALA 76 2HB ALA 76 9.086 9.041 2.952 624 H PHE 77 H PHE 77 12.782 10.554 4.070 625 HA PHE 77 HA PHE 77 14.093 12.267 1.916 626 HB2 PHE 77 1HB PHE 77 15.909 12.619 3.422 627 HB3 PHE 77 2HB PHE 77 14.462 12.871 4.332 628 HD1 PHE 77 HD2 PHE 77 13.782 11.155 6.134 629 HD2 PHE 77 HD1 PHE 77 17.467 10.741 3.931 630 HE1 PHE 77 HE2 PHE 77 14.600 9.512 7.781 631 HE2 PHE 77 HE1 PHE 77 18.261 9.103 5.576 632 HZ PHE 77 HZ PHE 77 16.834 8.479 7.508 633 HA PRO 78 HA PRO 78 15.933 8.460 0.153 634 HB2 PRO 78 1HB PRO 78 18.172 9.347 -1.154 635 HB3 PRO 78 2HB PRO 78 16.523 9.844 -1.594 636 HG2 PRO 78 1HG PRO 78 18.511 11.386 0.183 637 HG3 PRO 78 2HG PRO 78 17.649 12.014 -1.242 638 HD2 PRO 78 1HD PRO 78 16.710 12.389 1.350 639 HD3 PRO 78 2HD PRO 78 15.565 12.185 -0.005 640 H GLY 79 H GLY 79 16.281 7.268 1.961 641 HA2 GLY 79 1HA GLY 79 19.097 7.234 3.237 642 HA3 GLY 79 2HA GLY 79 17.602 6.872 4.096 Start of MODEL 11 1 H1 PHE 1 1H PHE 1 -10.350 7.730 -2.945 2 H2 PHE 1 2H PHE 1 -9.894 8.244 -1.465 3 HA PHE 1 HA PHE 1 -11.834 9.537 -3.279 4 HB2 PHE 1 1HB PHE 1 -11.263 9.939 -0.308 5 HB3 PHE 1 2HB PHE 1 -11.333 11.416 -1.206 6 HD1 PHE 1 HD1 PHE 1 -13.399 11.990 -2.636 7 HD2 PHE 1 HD2 PHE 1 -13.385 8.696 0.146 8 HE1 PHE 1 HE1 PHE 1 -15.855 11.952 -2.658 9 HE2 PHE 1 HE2 PHE 1 -15.849 8.686 0.125 10 HZ PHE 1 HZ PHE 1 -17.089 10.303 -1.283 11 H ASN 2 H ASN 2 -11.243 11.825 -3.671 12 HA ASN 2 HA ASN 2 -8.753 11.778 -5.224 13 HB2 ASN 2 1HB ASN 2 -11.044 13.076 -5.675 14 HB3 ASN 2 2HB ASN 2 -10.335 14.367 -4.746 15 HD21 ASN 2 1HD2 ASN 2 -7.796 14.599 -5.659 16 HD22 ASN 2 2HD2 ASN 2 -7.837 14.757 -7.492 17 H VAL 3 H VAL 3 -9.568 13.506 -2.219 18 HA VAL 3 HA VAL 3 -6.560 13.812 -1.782 19 HB VAL 3 HB VAL 3 -7.747 15.963 -1.649 20 HG11 VAL 3 1HG1 VAL 3 -8.974 16.659 0.368 21 HG12 VAL 3 2HG1 VAL 3 -9.881 15.377 -0.459 22 HG13 VAL 3 3HG1 VAL 3 -8.971 15.008 1.022 23 HG21 VAL 3 3HG2 VAL 3 -6.304 15.075 0.938 24 HG22 VAL 3 1HG2 VAL 3 -5.521 15.574 -0.580 25 HG23 VAL 3 2HG2 VAL 3 -6.484 16.746 0.340 26 H LYS 4 H LYS 4 -5.729 12.246 -0.634 27 HA LYS 4 HA LYS 4 -7.108 11.256 1.799 28 HB2 LYS 4 1HB LYS 4 -7.245 9.545 -0.636 29 HB3 LYS 4 2HB LYS 4 -6.373 8.702 0.614 30 HG2 LYS 4 1HG LYS 4 -9.162 9.979 0.969 31 HG3 LYS 4 2HG LYS 4 -8.855 8.295 0.554 32 HD2 LYS 4 1HD LYS 4 -7.588 7.966 2.727 33 HD3 LYS 4 2HD LYS 4 -7.899 9.643 3.172 34 HE2 LYS 4 1HE LYS 4 -10.442 9.176 3.004 35 HE3 LYS 4 2HE LYS 4 -10.073 7.484 2.667 36 HZ1 LYS 4 3HZ LYS 4 -9.280 8.969 5.188 37 HZ2 LYS 4 1HZ LYS 4 -10.417 7.785 5.105 38 HZ3 LYS 4 2HZ LYS 4 -8.828 7.426 4.876 39 H GLN 5 H GLN 5 -5.598 11.582 3.183 40 HA GLN 5 HA GLN 5 -2.784 11.392 2.905 41 HB2 GLN 5 1HB GLN 5 -4.676 11.202 5.350 42 HB3 GLN 5 2HB GLN 5 -2.949 11.131 5.566 43 HG2 GLN 5 1HG GLN 5 -3.504 13.356 5.962 44 HG3 GLN 5 2HG GLN 5 -2.592 13.315 4.469 45 HE21 GLN 5 1HE2 GLN 5 -3.398 15.399 4.078 46 HE22 GLN 5 2HE2 GLN 5 -5.156 15.654 3.554 47 H LYS 6 H LYS 6 -1.330 10.078 4.236 48 HA LYS 6 HA LYS 6 -1.260 7.575 2.812 49 HB2 LYS 6 1HB LYS 6 0.664 9.221 4.413 50 HB3 LYS 6 2HB LYS 6 0.972 7.523 4.569 51 HG2 LYS 6 1HG LYS 6 2.291 8.213 2.791 52 HG3 LYS 6 2HG LYS 6 1.073 7.211 2.108 53 HD2 LYS 6 1HD LYS 6 1.106 10.304 2.049 54 HD3 LYS 6 2HD LYS 6 1.796 9.250 0.819 55 HE2 LYS 6 1HE LYS 6 -0.563 8.287 0.385 56 HE3 LYS 6 2HE LYS 6 -1.226 9.518 1.449 57 HZ1 LYS 6 3HZ LYS 6 -0.198 11.238 0.038 58 HZ2 LYS 6 1HZ LYS 6 0.420 10.074 -1.004 59 HZ3 LYS 6 2HZ LYS 6 -1.216 10.345 -0.880 60 H SER 7 H SER 7 -1.362 5.526 3.265 61 HA SER 7 HA SER 7 -2.125 4.598 6.096 62 HB2 SER 7 1HB SER 7 -3.574 3.774 3.486 63 HB3 SER 7 2HB SER 7 -3.793 3.004 5.062 64 HG SER 7 HG SER 7 -5.331 4.695 4.512 65 H GLU 8 H GLU 8 -0.512 3.254 6.628 66 HA GLU 8 HA GLU 8 0.717 1.369 4.537 67 HB2 GLU 8 1HB GLU 8 2.048 2.516 7.059 68 HB3 GLU 8 2HB GLU 8 2.717 1.308 5.964 69 HG2 GLU 8 1HG GLU 8 2.349 3.076 4.021 70 HG3 GLU 8 2HG GLU 8 2.061 4.245 5.283 71 H ILE 9 H ILE 9 -0.179 -0.599 4.743 72 HA ILE 9 HA ILE 9 -0.859 -1.632 7.564 73 HB ILE 9 HB ILE 9 -2.462 -1.987 4.991 74 HG12 ILE 9 1HG1 ILE 9 -2.957 0.120 6.090 75 HG13 ILE 9 2HG1 ILE 9 -4.316 -0.978 6.138 76 HG21 ILE 9 1HG2 ILE 9 -2.833 -3.562 7.594 77 HG22 ILE 9 2HG2 ILE 9 -4.099 -3.366 6.357 78 HG23 ILE 9 3HG2 ILE 9 -2.580 -4.175 5.943 79 HD11 ILE 9 3HD1 ILE 9 -2.470 -0.275 8.520 80 HD12 ILE 9 1HD1 ILE 9 -4.164 0.190 8.290 81 HD13 ILE 9 2HD1 ILE 9 -3.753 -1.504 8.608 82 H THR 10 H THR 10 -0.354 -3.567 8.112 83 HA THR 10 HA THR 10 1.945 -4.815 6.969 84 HB THR 10 HB THR 10 -0.061 -5.699 9.158 85 HG1 THR 10 HG1 THR 10 1.715 -4.765 10.465 86 HG21 THR 10 3HG2 THR 10 1.840 -6.804 10.340 87 HG22 THR 10 1HG2 THR 10 1.536 -7.619 8.810 88 HG23 THR 10 2HG2 THR 10 2.920 -6.508 8.960 89 H ALA 11 H ALA 11 2.300 -7.039 6.429 90 HA ALA 11 HA ALA 11 0.744 -7.902 4.257 91 HB1 ALA 11 3HB ALA 11 2.232 -9.997 4.312 92 HB2 ALA 11 1HB ALA 11 3.092 -8.459 4.403 93 HB3 ALA 11 2HB ALA 11 2.865 -9.449 5.880 94 H LEU 12 H LEU 12 -0.853 -9.154 3.865 95 HA LEU 12 HA LEU 12 -2.211 -10.725 6.090 96 HB2 LEU 12 1HB LEU 12 -3.349 -8.692 4.776 97 HB3 LEU 12 2HB LEU 12 -3.446 -9.801 3.418 98 HG LEU 12 HG LEU 12 -4.869 -11.368 4.915 99 HD11 LEU 12 1HD1 LEU 12 -4.826 -8.919 6.829 100 HD12 LEU 12 2HD1 LEU 12 -5.883 -10.331 6.985 101 HD13 LEU 12 3HD1 LEU 12 -4.146 -10.503 7.211 102 HD21 LEU 12 3HD2 LEU 12 -5.914 -9.800 3.278 103 HD22 LEU 12 1HD2 LEU 12 -6.904 -9.921 4.735 104 HD23 LEU 12 2HD2 LEU 12 -5.893 -8.483 4.476 105 H VAL 13 H VAL 13 -3.101 -12.684 5.543 106 HA VAL 13 HA VAL 13 -1.611 -14.626 3.990 107 HB VAL 13 HB VAL 13 -3.669 -16.103 4.286 108 HG11 VAL 13 1HG1 VAL 13 -2.571 -14.862 6.877 109 HG12 VAL 13 2HG1 VAL 13 -3.426 -16.414 6.731 110 HG13 VAL 13 3HG1 VAL 13 -1.859 -16.194 5.937 111 HG21 VAL 13 3HG2 VAL 13 -4.887 -13.751 5.881 112 HG22 VAL 13 1HG2 VAL 13 -5.509 -14.397 4.359 113 HG23 VAL 13 2HG2 VAL 13 -5.511 -15.398 5.825 114 H LYS 14 H LYS 14 -1.997 -15.686 2.087 115 HA LYS 14 HA LYS 14 -2.993 -14.102 -0.078 116 HB2 LYS 14 1HB LYS 14 -1.229 -15.889 -0.211 117 HB3 LYS 14 2HB LYS 14 -2.455 -17.127 -0.090 118 HG2 LYS 14 1HG LYS 14 -1.893 -16.984 -2.397 119 HG3 LYS 14 2HG LYS 14 -3.502 -16.300 -2.270 120 HD2 LYS 14 1HD LYS 14 -2.345 -13.928 -2.199 121 HD3 LYS 14 2HD LYS 14 -0.834 -14.761 -2.562 122 HE2 LYS 14 1HE LYS 14 -1.882 -15.698 -4.704 123 HE3 LYS 14 2HE LYS 14 -3.404 -14.882 -4.306 124 HZ1 LYS 14 3HZ LYS 14 -0.762 -13.457 -4.767 125 HZ2 LYS 14 1HZ LYS 14 -2.064 -13.399 -5.781 126 HZ3 LYS 14 2HZ LYS 14 -2.090 -12.698 -4.291 127 H GLU 15 H GLU 15 -4.739 -13.932 -1.182 128 HA GLU 15 HA GLU 15 -7.348 -14.914 -0.168 129 HB2 GLU 15 1HB GLU 15 -6.524 -13.012 -2.456 130 HB3 GLU 15 2HB GLU 15 -8.186 -13.267 -1.975 131 HG2 GLU 15 1HG GLU 15 -8.013 -12.065 0.038 132 HG3 GLU 15 2HG GLU 15 -6.327 -12.459 0.311 133 H VAL 16 H VAL 16 -8.352 -16.680 -0.909 134 HA VAL 16 HA VAL 16 -7.852 -17.818 -3.655 135 HB VAL 16 HB VAL 16 -7.561 -19.980 -1.548 136 HG11 VAL 16 1HG1 VAL 16 -5.937 -20.891 -3.190 137 HG12 VAL 16 2HG1 VAL 16 -7.359 -20.352 -4.090 138 HG13 VAL 16 3HG1 VAL 16 -5.893 -19.358 -4.089 139 HG21 VAL 16 3HG2 VAL 16 -5.129 -19.768 -1.194 140 HG22 VAL 16 1HG2 VAL 16 -5.114 -18.142 -1.932 141 HG23 VAL 16 2HG2 VAL 16 -5.989 -18.439 -0.417 142 H THR 17 H THR 17 -9.275 -19.655 -4.149 143 HA THR 17 HA THR 17 -12.035 -19.175 -3.079 144 HB THR 17 HB THR 17 -11.152 -21.087 -5.313 145 HG1 THR 17 HG1 THR 17 -11.164 -18.531 -5.217 146 HG21 THR 17 3HG2 THR 17 -13.441 -21.714 -4.390 147 HG22 THR 17 1HG2 THR 17 -13.967 -20.027 -4.608 148 HG23 THR 17 2HG2 THR 17 -13.520 -21.005 -6.015 149 HA PRO 18 HA PRO 18 -11.853 -23.408 -0.921 150 HB2 PRO 18 1HB PRO 18 -9.805 -25.243 -1.142 151 HB3 PRO 18 2HB PRO 18 -10.990 -25.000 -2.446 152 HG2 PRO 18 1HG PRO 18 -8.191 -23.707 -2.233 153 HG3 PRO 18 2HG PRO 18 -8.831 -24.659 -3.603 154 HD2 PRO 18 1HD PRO 18 -8.957 -21.874 -3.492 155 HD3 PRO 18 2HD PRO 18 -10.215 -22.828 -4.333 156 HA PRO 19 HA PRO 19 -9.463 -21.872 2.599 157 HB2 PRO 19 1HB PRO 19 -9.747 -23.805 4.572 158 HB3 PRO 19 2HB PRO 19 -11.063 -22.802 3.918 159 HG2 PRO 19 1HG PRO 19 -10.331 -25.665 3.028 160 HG3 PRO 19 2HG PRO 19 -11.925 -25.065 3.562 161 HD2 PRO 19 1HD PRO 19 -11.320 -25.181 0.875 162 HD3 PRO 19 2HD PRO 19 -12.241 -23.787 1.528 163 H ARG 20 H ARG 20 -7.676 -22.212 0.985 164 HA ARG 20 HA ARG 20 -5.274 -23.523 2.396 165 HB2 ARG 20 1HB ARG 20 -6.053 -23.144 -0.516 166 HB3 ARG 20 2HB ARG 20 -4.509 -22.461 -0.200 167 HG2 ARG 20 1HG ARG 20 -3.859 -24.524 -0.771 168 HG3 ARG 20 2HG ARG 20 -3.823 -24.715 0.962 169 HD2 ARG 20 1HD ARG 20 -6.205 -25.578 -0.847 170 HD3 ARG 20 2HD ARG 20 -4.860 -26.628 -0.473 171 HE ARG 20 HE ARG 20 -6.788 -25.458 1.648 172 HH11 ARG 20 2HH2 ARG 20 -4.702 -28.084 0.710 173 HH12 ARG 20 1HH2 ARG 20 -5.001 -28.963 2.283 174 HH21 ARG 20 2HH1 ARG 20 -7.082 -26.440 3.389 175 HH22 ARG 20 1HH1 ARG 20 -6.305 -28.058 3.718 176 H LYS 21 H LYS 21 -3.767 -22.202 3.306 177 HA LYS 21 HA LYS 21 -3.877 -19.222 2.639 178 HB2 LYS 21 1HB LYS 21 -3.700 -20.425 5.469 179 HB3 LYS 21 2HB LYS 21 -3.446 -18.733 5.107 180 HG2 LYS 21 1HG LYS 21 -6.063 -20.274 4.559 181 HG3 LYS 21 2HG LYS 21 -5.762 -19.277 5.962 182 HD2 LYS 21 1HD LYS 21 -6.020 -17.274 4.876 183 HD3 LYS 21 2HD LYS 21 -5.228 -17.778 3.403 184 HE2 LYS 21 1HE LYS 21 -7.347 -19.173 2.818 185 HE3 LYS 21 2HE LYS 21 -8.151 -18.404 4.197 186 HZ1 LYS 21 3HZ LYS 21 -7.683 -16.187 3.173 187 HZ2 LYS 21 1HZ LYS 21 -6.773 -16.847 1.978 188 HZ3 LYS 21 2HZ LYS 21 -8.408 -17.103 2.010 189 H ALA 22 H ALA 22 -2.197 -19.142 1.378 190 HA ALA 22 HA ALA 22 0.531 -19.992 2.263 191 HB1 ALA 22 3HB ALA 22 -0.377 -18.338 -0.192 192 HB2 ALA 22 1HB ALA 22 1.246 -18.999 0.072 193 HB3 ALA 22 2HB ALA 22 -0.126 -20.099 -0.140 194 HA PRO 23 HA PRO 23 1.431 -15.876 4.163 195 HB2 PRO 23 1HB PRO 23 4.094 -16.149 4.767 196 HB3 PRO 23 2HB PRO 23 2.824 -17.127 5.529 197 HG2 PRO 23 1HG PRO 23 4.574 -17.941 3.111 198 HG3 PRO 23 2HG PRO 23 4.352 -18.845 4.636 199 HD2 PRO 23 1HD PRO 23 2.831 -19.401 2.381 200 HD3 PRO 23 2HD PRO 23 2.113 -19.516 4.026 201 H SER 24 H SER 24 0.845 -15.148 1.945 202 HA SER 24 HA SER 24 2.778 -14.358 -0.020 203 HB2 SER 24 1HB SER 24 1.006 -12.967 -1.020 204 HB3 SER 24 2HB SER 24 0.467 -14.577 -0.581 205 HG SER 24 HG SER 24 0.090 -12.626 1.395 206 H LYS 25 H LYS 25 4.034 -12.625 -0.299 207 HA LYS 25 HA LYS 25 4.470 -10.650 1.908 208 HB2 LYS 25 1HB LYS 25 5.887 -11.171 -0.746 209 HB3 LYS 25 2HB LYS 25 6.072 -9.611 -0.009 210 HG2 LYS 25 1HG LYS 25 7.905 -10.908 0.735 211 HG3 LYS 25 2HG LYS 25 6.882 -10.596 2.132 212 HD2 LYS 25 1HD LYS 25 5.857 -12.949 1.820 213 HD3 LYS 25 2HD LYS 25 6.998 -13.222 0.499 214 HE2 LYS 25 1HE LYS 25 8.943 -12.911 2.127 215 HE3 LYS 25 2HE LYS 25 7.802 -12.545 3.427 216 HZ1 LYS 25 3HZ LYS 25 7.913 -15.168 1.924 217 HZ2 LYS 25 1HZ LYS 25 8.343 -14.957 3.498 218 HZ3 LYS 25 2HZ LYS 25 6.767 -14.816 3.035 219 H ALA 26 H ALA 26 2.622 -9.656 2.107 220 HA ALA 26 HA ALA 26 1.401 -8.016 -0.113 221 HB1 ALA 26 3HB ALA 26 -0.592 -8.079 1.525 222 HB2 ALA 26 1HB ALA 26 -0.045 -9.670 0.976 223 HB3 ALA 26 2HB ALA 26 0.412 -9.121 2.571 224 H LYS 27 H LYS 27 1.687 -5.946 -0.170 225 HA LYS 27 HA LYS 27 2.081 -4.321 2.405 226 HB2 LYS 27 1HB LYS 27 3.932 -4.361 -0.059 227 HB3 LYS 27 2HB LYS 27 3.796 -2.948 0.927 228 HG2 LYS 27 1HG LYS 27 5.381 -3.759 2.259 229 HG3 LYS 27 2HG LYS 27 4.154 -4.748 2.985 230 HD2 LYS 27 1HD LYS 27 4.753 -6.474 0.972 231 HD3 LYS 27 2HD LYS 27 6.236 -5.542 0.863 232 HE2 LYS 27 1HE LYS 27 5.112 -7.038 3.341 233 HE3 LYS 27 2HE LYS 27 6.401 -7.627 2.292 234 HZ1 LYS 27 3HZ LYS 27 7.802 -5.668 3.023 235 HZ2 LYS 27 1HZ LYS 27 6.595 -5.126 3.981 236 HZ3 LYS 27 2HZ LYS 27 7.347 -6.541 4.345 237 H ARG 28 H ARG 28 0.971 -2.557 2.517 238 HA ARG 28 HA ARG 28 -0.854 -1.805 0.168 239 HB2 ARG 28 1HB ARG 28 -1.886 -1.746 3.033 240 HB3 ARG 28 2HB ARG 28 -2.760 -1.579 1.525 241 HG2 ARG 28 1HG ARG 28 -2.162 -4.093 1.093 242 HG3 ARG 28 2HG ARG 28 -1.560 -4.156 2.739 243 HD2 ARG 28 1HD ARG 28 -3.742 -3.665 3.725 244 HD3 ARG 28 2HD ARG 28 -4.424 -3.170 2.161 245 HE ARG 28 HE ARG 28 -3.354 -5.945 2.032 246 HH11 ARG 28 2HH2 ARG 28 -6.186 -4.170 2.952 247 HH12 ARG 28 1HH2 ARG 28 -7.291 -5.545 2.456 248 HH21 ARG 28 2HH1 ARG 28 -4.615 -7.483 1.500 249 HH22 ARG 28 1HH1 ARG 28 -6.412 -7.328 1.660 250 H GLU 29 H GLU 29 0.162 0.061 -0.287 251 HA GLU 29 HA GLU 29 0.627 2.161 1.893 252 HB2 GLU 29 1HB GLU 29 2.822 1.225 -0.070 253 HB3 GLU 29 2HB GLU 29 2.857 2.728 0.832 254 HG2 GLU 29 1HG GLU 29 4.011 1.598 2.403 255 HG3 GLU 29 2HG GLU 29 2.463 1.055 2.984 256 H ALA 30 H ALA 30 -0.061 4.071 1.278 257 HA ALA 30 HA ALA 30 -0.884 4.606 -1.563 258 HB1 ALA 30 3HB ALA 30 -2.416 5.115 0.305 259 HB2 ALA 30 1HB ALA 30 -1.227 6.205 1.040 260 HB3 ALA 30 2HB ALA 30 -1.982 6.615 -0.487 261 HA PRO 31 HA PRO 31 2.990 7.156 -1.933 262 HB2 PRO 31 1HB PRO 31 3.551 6.869 -4.563 263 HB3 PRO 31 2HB PRO 31 3.693 5.551 -3.394 264 HG2 PRO 31 1HG PRO 31 1.289 6.100 -5.264 265 HG3 PRO 31 2HG PRO 31 2.209 4.576 -5.129 266 HD2 PRO 31 1HD PRO 31 -0.136 5.006 -3.708 267 HD3 PRO 31 2HD PRO 31 1.214 4.067 -3.001 268 H ILE 32 H ILE 32 1.753 8.104 -5.033 269 HA ILE 32 HA ILE 32 0.968 10.817 -3.854 270 HB ILE 32 HB ILE 32 2.091 11.957 -5.770 271 HG12 ILE 32 1HG1 ILE 32 3.754 9.396 -6.089 272 HG13 ILE 32 2HG1 ILE 32 2.554 9.909 -7.241 273 HG21 ILE 32 1HG2 ILE 32 2.891 11.743 -3.311 274 HG22 ILE 32 2HG2 ILE 32 4.149 10.617 -3.891 275 HG23 ILE 32 3HG2 ILE 32 4.089 12.282 -4.480 276 HD11 ILE 32 3HD1 ILE 32 5.126 10.560 -7.620 277 HD12 ILE 32 1HD1 ILE 32 3.903 11.803 -7.988 278 HD13 ILE 32 2HD1 ILE 32 4.779 11.891 -6.519 279 H LYS 33 H LYS 33 -0.709 11.765 -4.619 280 HA LYS 33 HA LYS 33 -2.432 10.553 -6.678 281 HB2 LYS 33 1HB LYS 33 -3.042 11.949 -4.481 282 HB3 LYS 33 2HB LYS 33 -2.783 13.358 -5.462 283 HG2 LYS 33 1HG LYS 33 -5.132 12.920 -5.475 284 HG3 LYS 33 2HG LYS 33 -4.555 12.558 -7.082 285 HD2 LYS 33 1HD LYS 33 -5.953 10.817 -6.762 286 HD3 LYS 33 2HD LYS 33 -4.460 10.032 -6.373 287 HE2 LYS 33 1HE LYS 33 -6.741 10.904 -4.543 288 HE3 LYS 33 2HE LYS 33 -6.208 9.290 -4.886 289 HZ1 LYS 33 3HZ LYS 33 -4.316 9.578 -3.319 290 HZ2 LYS 33 1HZ LYS 33 -4.422 11.208 -3.343 291 HZ3 LYS 33 2HZ LYS 33 -5.563 10.347 -2.591 292 H TYR 34 H TYR 34 -0.054 12.959 -6.877 293 HA TYR 34 HA TYR 34 -0.894 14.245 -9.452 294 HB2 TYR 34 1HB TYR 34 0.690 15.217 -7.666 295 HB3 TYR 34 2HB TYR 34 1.895 14.047 -8.157 296 HD1 TYR 34 HD1 TYR 34 -0.353 16.718 -9.709 297 HD2 TYR 34 HD2 TYR 34 3.544 14.866 -9.670 298 HE1 TYR 34 HE1 TYR 34 0.478 18.412 -11.280 299 HE2 TYR 34 HE2 TYR 34 4.361 16.585 -11.228 300 HH TYR 34 HH TYR 34 2.204 18.906 -12.717 301 H TRP 35 H TRP 35 1.042 11.396 -8.715 302 HA TRP 35 HA TRP 35 1.504 10.825 -11.680 303 HB2 TRP 35 1HB TRP 35 3.213 10.363 -9.554 304 HB3 TRP 35 2HB TRP 35 2.393 8.829 -9.538 305 HD1 TRP 35 HD1 TRP 35 5.286 10.636 -11.007 306 HE1 TRP 35 HE1 TRP 35 6.537 9.301 -12.892 307 HE3 TRP 35 HE3 TRP 35 1.563 7.207 -11.930 308 HZ2 TRP 35 HZ2 TRP 35 5.894 7.009 -14.438 309 HZ3 TRP 35 HZ3 TRP 35 1.974 5.446 -13.622 310 HH2 TRP 35 HH2 TRP 35 4.095 5.346 -14.853 311 H LEU 36 H LEU 36 -0.089 9.256 -8.804 312 HA LEU 36 HA LEU 36 -1.556 7.395 -10.750 313 HB2 LEU 36 1HB LEU 36 -0.712 6.970 -7.822 314 HB3 LEU 36 2HB LEU 36 -1.690 5.836 -8.733 315 HG LEU 36 HG LEU 36 1.150 6.672 -9.606 316 HD11 LEU 36 1HD1 LEU 36 0.292 4.199 -7.975 317 HD12 LEU 36 2HD1 LEU 36 1.915 4.518 -8.641 318 HD13 LEU 36 3HD1 LEU 36 1.249 5.582 -7.400 319 HD21 LEU 36 3HD2 LEU 36 1.035 4.580 -11.003 320 HD22 LEU 36 1HD2 LEU 36 -0.636 4.279 -10.471 321 HD23 LEU 36 2HD2 LEU 36 -0.252 5.684 -11.479 322 HA PRO 37 HA PRO 37 -5.226 9.613 -9.166 323 HB2 PRO 37 1HB PRO 37 -7.296 8.125 -10.360 324 HB3 PRO 37 2HB PRO 37 -6.259 9.316 -11.177 325 HG2 PRO 37 1HG PRO 37 -5.856 6.260 -11.075 326 HG3 PRO 37 2HG PRO 37 -5.877 7.303 -12.521 327 HD2 PRO 37 1HD PRO 37 -3.505 6.549 -11.367 328 HD3 PRO 37 2HD PRO 37 -3.676 8.223 -11.994 329 H HIS 38 H HIS 38 -4.837 6.223 -8.415 330 HA HIS 38 HA HIS 38 -6.430 6.724 -5.817 331 HB2 HIS 38 1HB HIS 38 -7.407 4.995 -7.426 332 HB3 HIS 38 2HB HIS 38 -5.964 4.014 -7.238 333 HD1 HIS 38 HD1 HIS 38 -5.562 2.868 -4.724 334 HD2 HIS 38 HD2 HIS 38 -9.264 4.975 -5.349 335 HE1 HIS 38 HE1 HIS 38 -7.231 2.257 -2.878 336 HE2 HIS 38 HE2 HIS 38 -9.500 3.479 -3.154 337 H SER 39 H SER 39 -4.848 7.367 -4.505 338 HA SER 39 HA SER 39 -2.212 5.950 -4.173 339 HB2 SER 39 1HB SER 39 -1.763 7.474 -2.393 340 HB3 SER 39 2HB SER 39 -2.406 8.388 -3.732 341 HG SER 39 HG SER 39 -4.057 7.397 -1.623 342 H GLY 40 H GLY 40 -2.449 3.907 -3.552 343 HA2 GLY 40 1HA GLY 40 -2.459 2.786 -1.132 344 HA3 GLY 40 2HA GLY 40 -4.189 3.115 -1.139 345 H ALA 41 H ALA 41 -1.667 1.178 -2.466 346 HA ALA 41 HA ALA 41 -3.729 -0.633 -3.878 347 HB1 ALA 41 3HB ALA 41 -0.900 0.075 -4.898 348 HB2 ALA 41 1HB ALA 41 -2.048 -1.051 -5.656 349 HB3 ALA 41 2HB ALA 41 -2.446 0.669 -5.542 350 H THR 42 H THR 42 -3.824 -2.562 -3.034 351 HA THR 42 HA THR 42 -1.653 -3.721 -1.293 352 HB THR 42 HB THR 42 -3.851 -3.856 -0.454 353 HG1 THR 42 HG1 THR 42 -3.121 -6.443 -1.289 354 HG21 THR 42 3HG2 THR 42 -4.878 -4.700 -3.050 355 HG22 THR 42 1HG2 THR 42 -5.101 -6.040 -1.927 356 HG23 THR 42 2HG2 THR 42 -5.747 -4.445 -1.530 357 H TRP 43 H TRP 43 0.037 -4.457 -2.437 358 HA TRP 43 HA TRP 43 -0.438 -6.345 -4.808 359 HB2 TRP 43 1HB TRP 43 1.255 -4.468 -4.960 360 HB3 TRP 43 2HB TRP 43 2.275 -5.344 -3.814 361 HD1 TRP 43 HD1 TRP 43 1.791 -8.453 -5.229 362 HE1 TRP 43 HE1 TRP 43 3.021 -9.039 -7.456 363 HE3 TRP 43 HE3 TRP 43 2.633 -3.625 -6.779 364 HZ2 TRP 43 HZ2 TRP 43 4.260 -7.513 -9.489 365 HZ3 TRP 43 HZ3 TRP 43 3.981 -3.272 -8.846 366 HH2 TRP 43 HH2 TRP 43 4.791 -5.183 -10.160 367 H SER 44 H SER 44 -1.211 -8.218 -3.726 368 HA SER 44 HA SER 44 0.373 -9.409 -1.447 369 HB2 SER 44 1HB SER 44 -1.415 -10.997 -1.163 370 HB3 SER 44 2HB SER 44 -1.987 -9.329 -1.176 371 HG SER 44 HG SER 44 -3.390 -10.502 -2.392 372 H GLY 45 H GLY 45 2.321 -9.863 -2.506 373 HA2 GLY 45 1HA GLY 45 2.799 -12.603 -3.225 374 HA3 GLY 45 2HA GLY 45 2.461 -11.839 -4.771 375 H ARG 46 H ARG 46 3.778 -9.887 -5.238 376 HA ARG 46 HA ARG 46 6.717 -10.410 -4.717 377 HB2 ARG 46 1HB ARG 46 5.852 -9.967 -7.003 378 HB3 ARG 46 2HB ARG 46 5.249 -8.392 -6.527 379 HG2 ARG 46 1HG ARG 46 8.242 -9.103 -6.498 380 HG3 ARG 46 2HG ARG 46 7.375 -8.566 -7.909 381 HD2 ARG 46 1HD ARG 46 6.730 -6.629 -5.805 382 HD3 ARG 46 2HD ARG 46 8.445 -7.015 -5.635 383 HE ARG 46 HE ARG 46 7.600 -6.373 -8.454 384 HH11 ARG 46 2HH2 ARG 46 8.778 -4.972 -5.449 385 HH12 ARG 46 1HH2 ARG 46 9.323 -3.472 -6.336 386 HH21 ARG 46 2HH1 ARG 46 8.246 -4.644 -9.369 387 HH22 ARG 46 1HH1 ARG 46 9.010 -3.298 -8.421 388 H GLY 47 H GLY 47 8.044 -8.963 -3.727 389 HA2 GLY 47 1HA GLY 47 7.000 -7.277 -1.490 390 HA3 GLY 47 2HA GLY 47 8.678 -7.445 -1.940 391 H LYS 48 H LYS 48 5.732 -5.865 -2.951 392 HA LYS 48 HA LYS 48 7.204 -3.460 -4.055 393 HB2 LYS 48 1HB LYS 48 5.375 -4.277 -5.261 394 HB3 LYS 48 2HB LYS 48 4.300 -4.388 -3.893 395 HG2 LYS 48 1HG LYS 48 5.295 -1.612 -4.807 396 HG3 LYS 48 2HG LYS 48 4.090 -2.467 -5.724 397 HD2 LYS 48 1HD LYS 48 2.938 -2.772 -3.215 398 HD3 LYS 48 2HD LYS 48 3.942 -1.371 -2.893 399 HE2 LYS 48 1HE LYS 48 2.768 -0.245 -4.985 400 HE3 LYS 48 2HE LYS 48 1.678 -1.635 -4.994 401 HZ1 LYS 48 3HZ LYS 48 0.758 -1.025 -2.892 402 HZ2 LYS 48 1HZ LYS 48 2.121 -0.272 -2.370 403 HZ3 LYS 48 2HZ LYS 48 1.119 0.490 -3.421 404 H ILE 49 H ILE 49 8.265 -2.449 -2.361 405 HA ILE 49 HA ILE 49 6.450 -1.030 -0.335 406 HB ILE 49 HB ILE 49 9.492 -1.415 0.020 407 HG12 ILE 49 1HG1 ILE 49 8.633 -2.809 2.122 408 HG13 ILE 49 2HG1 ILE 49 7.153 -3.029 1.212 409 HG21 ILE 49 1HG2 ILE 49 8.461 0.633 1.130 410 HG22 ILE 49 2HG2 ILE 49 7.267 -0.399 1.946 411 HG23 ILE 49 3HG2 ILE 49 9.005 -0.535 2.336 412 HD11 ILE 49 3HD1 ILE 49 9.972 -3.870 0.224 413 HD12 ILE 49 1HD1 ILE 49 8.817 -4.948 1.024 414 HD13 ILE 49 2HD1 ILE 49 8.440 -4.285 -0.562 415 HA PRO 50 HA PRO 50 8.083 2.274 -3.206 416 HB2 PRO 50 1HB PRO 50 6.025 4.094 -3.072 417 HB3 PRO 50 2HB PRO 50 5.785 2.479 -3.775 418 HG2 PRO 50 1HG PRO 50 5.126 3.371 -0.895 419 HG3 PRO 50 2HG PRO 50 4.025 2.574 -2.042 420 HD2 PRO 50 1HD PRO 50 5.541 1.200 -0.106 421 HD3 PRO 50 2HD PRO 50 5.040 0.419 -1.637 422 H LYS 51 H LYS 51 9.301 2.021 -0.843 423 HA LYS 51 HA LYS 51 9.599 4.721 0.451 424 HB2 LYS 51 1HB LYS 51 10.506 2.011 1.192 425 HB3 LYS 51 2HB LYS 51 11.887 3.057 1.148 426 HG2 LYS 51 1HG LYS 51 11.037 3.115 3.367 427 HG3 LYS 51 2HG LYS 51 10.792 4.710 2.663 428 HD2 LYS 51 1HD LYS 51 8.330 4.079 2.210 429 HD3 LYS 51 2HD LYS 51 8.610 2.519 2.971 430 HE2 LYS 51 1HE LYS 51 9.195 3.639 5.151 431 HE3 LYS 51 2HE LYS 51 9.063 5.240 4.395 432 HZ1 LYS 51 3HZ LYS 51 6.743 3.289 4.493 433 HZ2 LYS 51 1HZ LYS 51 6.890 4.481 5.554 434 HZ3 LYS 51 2HZ LYS 51 6.641 4.816 3.990 435 HA PRO 52 HA PRO 52 13.527 5.403 -2.195 436 HB2 PRO 52 1HB PRO 52 14.127 3.813 -4.398 437 HB3 PRO 52 2HB PRO 52 14.690 3.487 -2.741 438 HG2 PRO 52 1HG PRO 52 12.215 2.274 -4.125 439 HG3 PRO 52 2HG PRO 52 13.538 1.392 -3.316 440 HD2 PRO 52 1HD PRO 52 11.173 1.965 -2.026 441 HD3 PRO 52 2HD PRO 52 12.711 2.007 -1.115 442 H PHE 53 H PHE 53 10.476 4.525 -3.490 443 HA PHE 53 HA PHE 53 10.540 6.562 -5.733 444 HB2 PHE 53 1HB PHE 53 9.231 4.510 -6.104 445 HB3 PHE 53 2HB PHE 53 8.252 4.801 -4.682 446 HD1 PHE 53 HD2 PHE 53 9.214 6.447 -7.975 447 HD2 PHE 53 HD1 PHE 53 6.240 6.137 -4.884 448 HE1 PHE 53 HE2 PHE 53 7.601 7.675 -9.395 449 HE2 PHE 53 HE1 PHE 53 4.665 7.401 -6.277 450 HZ PHE 53 HZ PHE 53 5.327 8.159 -8.548 451 H GLU 54 H GLU 54 8.571 6.218 -2.651 452 HA GLU 54 HA GLU 54 7.761 9.031 -2.819 453 HB2 GLU 54 1HB GLU 54 6.454 7.171 -1.701 454 HB3 GLU 54 2HB GLU 54 7.554 7.228 -0.335 455 HG2 GLU 54 1HG GLU 54 6.916 9.564 0.166 456 HG3 GLU 54 2HG GLU 54 6.013 9.708 -1.351 457 H ALA 55 H ALA 55 10.620 7.646 -1.446 458 HA ALA 55 HA ALA 55 11.497 10.048 0.134 459 HB1 ALA 55 3HB ALA 55 13.105 7.632 -0.931 460 HB2 ALA 55 1HB ALA 55 13.662 8.852 0.229 461 HB3 ALA 55 2HB ALA 55 12.341 7.760 0.670 462 H TRP 56 H TRP 56 12.344 8.750 -3.151 463 HA TRP 56 HA TRP 56 13.922 11.232 -3.748 464 HB2 TRP 56 1HB TRP 56 14.359 8.801 -4.723 465 HB3 TRP 56 2HB TRP 56 13.120 9.193 -5.907 466 HD1 TRP 56 HD1 TRP 56 16.667 10.403 -4.609 467 HE1 TRP 56 HE1 TRP 56 17.910 11.928 -6.354 468 HE3 TRP 56 HE3 TRP 56 12.810 10.742 -7.990 469 HZ2 TRP 56 HZ2 TRP 56 17.152 13.109 -8.825 470 HZ3 TRP 56 HZ3 TRP 56 13.147 12.119 -10.033 471 HH2 TRP 56 HH2 TRP 56 15.268 13.283 -10.437 472 H ILE 57 H ILE 57 10.640 10.101 -4.545 473 HA ILE 57 HA ILE 57 9.826 12.738 -5.769 474 HB ILE 57 HB ILE 57 8.308 10.329 -4.621 475 HG12 ILE 57 1HG1 ILE 57 9.361 9.801 -6.735 476 HG13 ILE 57 2HG1 ILE 57 7.629 9.801 -6.845 477 HG21 ILE 57 1HG2 ILE 57 6.750 12.516 -6.019 478 HG22 ILE 57 2HG2 ILE 57 6.252 10.969 -5.293 479 HG23 ILE 57 3HG2 ILE 57 6.767 12.283 -4.276 480 HD11 ILE 57 3HD1 ILE 57 7.698 12.068 -8.034 481 HD12 ILE 57 1HD1 ILE 57 9.472 12.039 -7.935 482 HD13 ILE 57 2HD1 ILE 57 8.612 10.806 -8.871 483 H GLY 58 H GLY 58 11.048 12.334 -2.786 484 HA2 GLY 58 1HA GLY 58 9.554 14.830 -1.805 485 HA3 GLY 58 2HA GLY 58 10.156 13.640 -0.658 486 H THR 59 H THR 59 12.775 13.266 -1.989 487 HA THR 59 HA THR 59 14.434 14.955 -0.618 488 HB THR 59 HB THR 59 15.033 13.987 -3.495 489 HG1 THR 59 HG1 THR 59 16.009 12.266 -2.224 490 HG21 THR 59 3HG2 THR 59 17.414 13.784 -2.715 491 HG22 THR 59 1HG2 THR 59 16.901 15.473 -2.656 492 HG23 THR 59 2HG2 THR 59 16.990 14.531 -1.156 493 H ALA 60 H ALA 60 13.312 15.819 -3.782 494 HA ALA 60 HA ALA 60 13.707 18.775 -3.158 495 HB1 ALA 60 3HB ALA 60 15.583 18.203 -4.747 496 HB2 ALA 60 1HB ALA 60 14.423 17.555 -5.935 497 HB3 ALA 60 2HB ALA 60 14.415 19.294 -5.523 498 H ALA 61 H ALA 61 11.794 16.357 -4.882 499 HA ALA 61 HA ALA 61 9.873 18.178 -6.096 500 HB1 ALA 61 3HB ALA 61 10.142 15.831 -6.807 501 HB2 ALA 61 1HB ALA 61 9.600 15.245 -5.226 502 HB3 ALA 61 2HB ALA 61 8.459 16.083 -6.293 503 H TYR 62 H TYR 62 9.975 17.113 -2.807 504 HA TYR 62 HA TYR 62 7.228 17.446 -1.965 505 HB2 TYR 62 1HB TYR 62 9.151 16.585 -0.537 506 HB3 TYR 62 2HB TYR 62 9.717 18.217 -0.327 507 HD1 TYR 62 HD1 TYR 62 6.453 16.251 0.032 508 HD2 TYR 62 HD2 TYR 62 9.043 19.230 1.742 509 HE1 TYR 62 HE1 TYR 62 4.993 16.394 2.011 510 HE2 TYR 62 HE2 TYR 62 7.600 19.324 3.733 511 HH TYR 62 HH TYR 62 4.649 17.398 4.045 512 H THR 63 H THR 63 9.610 20.091 -2.323 513 HA THR 63 HA THR 63 7.748 22.197 -1.389 514 HB THR 63 HB THR 63 10.160 22.488 -1.294 515 HG1 THR 63 HG1 THR 63 9.979 24.666 -2.396 516 HG21 THR 63 3HG2 THR 63 11.490 23.329 -3.178 517 HG22 THR 63 1HG2 THR 63 10.937 21.701 -3.576 518 HG23 THR 63 2HG2 THR 63 10.149 23.102 -4.325 519 H ALA 64 H ALA 64 8.164 20.735 -4.522 520 HA ALA 64 HA ALA 64 6.300 22.694 -5.911 521 HB1 ALA 64 3HB ALA 64 6.678 21.220 -7.926 522 HB2 ALA 64 1HB ALA 64 8.218 21.749 -7.228 523 HB3 ALA 64 2HB ALA 64 7.636 20.094 -6.943 524 H TRP 65 H TRP 65 6.283 19.339 -4.743 525 HA TRP 65 HA TRP 65 3.530 18.643 -5.398 526 HB2 TRP 65 1HB TRP 65 5.730 17.304 -4.321 527 HB3 TRP 65 2HB TRP 65 4.808 17.548 -2.854 528 HD1 TRP 65 HD1 TRP 65 4.855 15.580 -6.160 529 HE1 TRP 65 HE1 TRP 65 2.905 13.862 -6.380 530 HE3 TRP 65 HE3 TRP 65 2.217 17.113 -2.014 531 HZ2 TRP 65 HZ2 TRP 65 0.509 13.411 -4.908 532 HZ3 TRP 65 HZ3 TRP 65 0.088 15.948 -1.478 533 HH2 TRP 65 HH2 TRP 65 -0.771 14.147 -2.947 534 H LYS 66 H LYS 66 4.789 20.152 -2.454 535 HA LYS 66 HA LYS 66 2.247 20.322 -0.987 536 HB2 LYS 66 1HB LYS 66 4.915 21.861 -0.830 537 HB3 LYS 66 2HB LYS 66 3.603 22.263 0.238 538 HG2 LYS 66 1HG LYS 66 4.692 19.371 0.014 539 HG3 LYS 66 2HG LYS 66 5.435 20.527 1.068 540 HD2 LYS 66 1HD LYS 66 2.471 19.698 1.209 541 HD3 LYS 66 2HD LYS 66 3.757 18.937 2.117 542 HE2 LYS 66 1HE LYS 66 4.298 21.024 3.358 543 HE3 LYS 66 2HE LYS 66 3.129 21.963 2.416 544 HZ1 LYS 66 3HZ LYS 66 2.007 21.133 4.488 545 HZ2 LYS 66 1HZ LYS 66 1.358 20.357 3.163 546 HZ3 LYS 66 2HZ LYS 66 2.426 19.582 4.117 547 H ALA 67 H ALA 67 3.581 22.571 -3.395 548 HA ALA 67 HA ALA 67 1.312 24.499 -3.199 549 HB1 ALA 67 3HB ALA 67 3.256 23.921 -5.529 550 HB2 ALA 67 1HB ALA 67 2.150 25.310 -5.403 551 HB3 ALA 67 2HB ALA 67 3.475 25.128 -4.241 552 H LYS 68 H LYS 68 1.686 21.439 -5.005 553 HA LYS 68 HA LYS 68 -0.968 21.846 -6.432 554 HB2 LYS 68 1HB LYS 68 0.726 19.280 -6.222 555 HB3 LYS 68 2HB LYS 68 -0.771 19.425 -7.114 556 HG2 LYS 68 1HG LYS 68 0.251 20.184 -8.954 557 HG3 LYS 68 2HG LYS 68 0.781 21.624 -8.115 558 HD2 LYS 68 1HD LYS 68 2.727 19.947 -7.159 559 HD3 LYS 68 2HD LYS 68 2.235 18.947 -8.498 560 HE2 LYS 68 1HE LYS 68 4.099 20.209 -9.286 561 HE3 LYS 68 2HE LYS 68 2.717 20.923 -10.107 562 HZ1 LYS 68 3HZ LYS 68 3.815 21.975 -7.484 563 HZ2 LYS 68 1HZ LYS 68 4.261 22.650 -8.933 564 HZ3 LYS 68 2HZ LYS 68 2.703 22.743 -8.401 565 H HIS 69 H HIS 69 0.047 19.960 -3.549 566 HA HIS 69 HA HIS 69 -2.896 19.672 -2.838 567 HB2 HIS 69 1HB HIS 69 -1.105 17.413 -3.726 568 HB3 HIS 69 2HB HIS 69 -1.686 17.140 -2.109 569 HD1 HIS 69 HD1 HIS 69 -3.507 15.348 -2.360 570 HD2 HIS 69 HD2 HIS 69 -3.751 18.442 -5.337 571 HE1 HIS 69 HE1 HIS 69 -5.630 15.072 -3.706 572 HE2 HIS 69 HE2 HIS 69 -5.866 16.859 -5.577 573 HA PRO 70 HA PRO 70 -1.737 21.291 0.801 574 HB2 PRO 70 1HB PRO 70 -3.574 20.504 2.767 575 HB3 PRO 70 2HB PRO 70 -3.951 21.437 1.307 576 HG2 PRO 70 1HG PRO 70 -4.153 18.352 1.612 577 HG3 PRO 70 2HG PRO 70 -5.443 19.486 1.102 578 HD2 PRO 70 1HD PRO 70 -3.948 18.182 -0.782 579 HD3 PRO 70 2HD PRO 70 -4.332 19.921 -1.035 580 H ASP 71 H ASP 71 -2.358 18.521 2.961 581 HA ASP 71 HA ASP 71 0.527 17.699 2.526 582 HB2 ASP 71 1HB ASP 71 0.194 18.984 4.815 583 HB3 ASP 71 2HB ASP 71 -0.659 17.559 5.362 584 H GLU 72 H GLU 72 -0.997 16.612 1.023 585 HA GLU 72 HA GLU 72 -2.193 14.097 2.060 586 HB2 GLU 72 1HB GLU 72 -2.666 15.340 -0.292 587 HB3 GLU 72 2HB GLU 72 -1.344 14.360 -0.848 588 HG2 GLU 72 1HG GLU 72 -2.689 12.326 0.338 589 HG3 GLU 72 2HG GLU 72 -4.045 13.421 0.268 590 H LYS 73 H LYS 73 0.966 14.855 0.760 591 HA LYS 73 HA LYS 73 1.848 11.946 0.450 592 HB2 LYS 73 1HB LYS 73 2.138 13.439 -1.429 593 HB3 LYS 73 2HB LYS 73 3.007 14.643 -0.485 594 HG2 LYS 73 1HG LYS 73 4.114 11.785 -0.860 595 HG3 LYS 73 2HG LYS 73 4.239 12.993 -2.130 596 HD2 LYS 73 1HD LYS 73 5.661 14.446 -1.004 597 HD3 LYS 73 2HD LYS 73 5.182 13.925 0.595 598 HE2 LYS 73 1HE LYS 73 7.364 13.086 0.378 599 HE3 LYS 73 2HE LYS 73 6.275 11.704 0.286 600 HZ1 LYS 73 3HZ LYS 73 7.597 12.997 -2.118 601 HZ2 LYS 73 1HZ LYS 73 8.002 11.539 -1.438 602 HZ3 LYS 73 2HZ LYS 73 6.539 11.741 -2.186 603 H PHE 74 H PHE 74 3.628 11.124 1.624 604 HA PHE 74 HA PHE 74 3.647 12.235 4.406 605 HB2 PHE 74 1HB PHE 74 3.389 9.761 3.709 606 HB3 PHE 74 2HB PHE 74 5.084 9.722 3.318 607 HD1 PHE 74 HD1 PHE 74 2.537 9.895 5.991 608 HD2 PHE 74 HD2 PHE 74 6.781 9.911 5.261 609 HE1 PHE 74 HE1 PHE 74 2.955 9.435 8.378 610 HE2 PHE 74 HE2 PHE 74 7.186 9.448 7.648 611 HZ PHE 74 HZ PHE 74 5.276 9.205 9.211 612 HA PRO 75 HA PRO 75 7.633 14.369 3.634 613 HB2 PRO 75 1HB PRO 75 8.360 15.097 6.218 614 HB3 PRO 75 2HB PRO 75 7.020 15.807 5.294 615 HG2 PRO 75 1HG PRO 75 6.838 13.528 7.366 616 HG3 PRO 75 2HG PRO 75 5.893 15.044 7.339 617 HD2 PRO 75 1HD PRO 75 4.876 12.697 6.280 618 HD3 PRO 75 2HD PRO 75 4.537 14.250 5.455 619 H ALA 76 H ALA 76 8.280 12.270 2.894 620 HA ALA 76 HA ALA 76 10.209 10.686 4.495 621 HB1 ALA 76 3HB ALA 76 9.220 10.359 1.582 622 HB2 ALA 76 1HB ALA 76 10.110 9.143 2.517 623 HB3 ALA 76 2HB ALA 76 8.485 9.635 3.038 624 H PHE 77 H PHE 77 12.297 10.666 4.402 625 HA PHE 77 HA PHE 77 13.833 12.461 2.491 626 HB2 PHE 77 1HB PHE 77 15.517 12.639 4.169 627 HB3 PHE 77 2HB PHE 77 14.008 12.820 4.994 628 HD1 PHE 77 HD2 PHE 77 13.184 10.913 6.550 629 HD2 PHE 77 HD1 PHE 77 17.029 10.725 4.607 630 HE1 PHE 77 HE2 PHE 77 13.882 9.108 8.076 631 HE2 PHE 77 HE1 PHE 77 17.706 8.923 6.127 632 HZ PHE 77 HZ PHE 77 16.137 8.102 7.867 633 HA PRO 78 HA PRO 78 15.830 8.783 0.580 634 HB2 PRO 78 1HB PRO 78 18.199 9.761 -0.377 635 HB3 PRO 78 2HB PRO 78 16.608 10.292 -0.980 636 HG2 PRO 78 1HG PRO 78 18.333 11.692 1.171 637 HG3 PRO 78 2HG PRO 78 17.699 12.424 -0.320 638 HD2 PRO 78 1HD PRO 78 16.358 12.657 2.085 639 HD3 PRO 78 2HD PRO 78 15.424 12.466 0.572 640 H GLY 79 H GLY 79 16.092 7.347 2.180 641 HA2 GLY 79 1HA GLY 79 18.818 7.170 3.613 642 HA3 GLY 79 2HA GLY 79 17.292 6.979 4.485 Start of MODEL 12 1 H1 PHE 1 1H PHE 1 -13.887 13.251 0.660 2 H2 PHE 1 2H PHE 1 -12.819 14.218 1.430 3 HA PHE 1 HA PHE 1 -13.685 14.529 -1.381 4 HB2 PHE 1 1HB PHE 1 -11.973 16.223 0.503 5 HB3 PHE 1 2HB PHE 1 -11.279 16.016 -1.063 6 HD1 PHE 1 HD1 PHE 1 -12.527 16.722 -3.182 7 HD2 PHE 1 HD2 PHE 1 -14.012 17.655 0.756 8 HE1 PHE 1 HE1 PHE 1 -13.993 18.449 -4.137 9 HE2 PHE 1 HE2 PHE 1 -15.465 19.391 -0.217 10 HZ PHE 1 HZ PHE 1 -15.463 19.791 -2.662 11 H ASN 2 H ASN 2 -11.742 14.471 -2.820 12 HA ASN 2 HA ASN 2 -10.657 11.744 -2.973 13 HB2 ASN 2 1HB ASN 2 -11.136 13.406 -4.898 14 HB3 ASN 2 2HB ASN 2 -9.707 14.308 -4.420 15 HD21 ASN 2 1HD2 ASN 2 -8.440 13.892 -6.211 16 HD22 ASN 2 2HD2 ASN 2 -8.133 12.199 -6.850 17 H VAL 3 H VAL 3 -9.236 14.711 -1.761 18 HA VAL 3 HA VAL 3 -6.460 13.780 -1.486 19 HB VAL 3 HB VAL 3 -7.078 16.140 -1.644 20 HG11 VAL 3 1HG1 VAL 3 -7.809 17.506 0.241 21 HG12 VAL 3 2HG1 VAL 3 -9.056 16.276 -0.023 22 HG13 VAL 3 3HG1 VAL 3 -7.925 16.107 1.330 23 HG21 VAL 3 3HG2 VAL 3 -5.395 15.454 0.845 24 HG22 VAL 3 1HG2 VAL 3 -4.853 15.499 -0.850 25 HG23 VAL 3 2HG2 VAL 3 -5.383 16.991 -0.047 26 H LYS 4 H LYS 4 -5.793 12.178 -0.237 27 HA LYS 4 HA LYS 4 -6.922 11.785 2.569 28 HB2 LYS 4 1HB LYS 4 -7.096 9.572 0.408 29 HB3 LYS 4 2HB LYS 4 -7.225 9.275 2.140 30 HG2 LYS 4 1HG LYS 4 -9.164 10.974 2.243 31 HG3 LYS 4 2HG LYS 4 -9.134 11.052 0.482 32 HD2 LYS 4 1HD LYS 4 -9.614 8.585 0.330 33 HD3 LYS 4 2HD LYS 4 -9.567 8.450 2.099 34 HE2 LYS 4 1HE LYS 4 -11.473 10.204 2.233 35 HE3 LYS 4 2HE LYS 4 -11.552 10.214 0.473 36 HZ1 LYS 4 3HZ LYS 4 -12.075 7.760 0.552 37 HZ2 LYS 4 1HZ LYS 4 -12.017 7.768 2.193 38 HZ3 LYS 4 2HZ LYS 4 -13.190 8.614 1.410 39 H GLN 5 H GLN 5 -5.450 11.288 3.930 40 HA GLN 5 HA GLN 5 -2.660 11.095 3.243 41 HB2 GLN 5 1HB GLN 5 -4.245 10.847 5.890 42 HB3 GLN 5 2HB GLN 5 -2.508 10.700 5.878 43 HG2 GLN 5 1HG GLN 5 -2.937 12.928 6.454 44 HG3 GLN 5 2HG GLN 5 -2.185 12.924 4.867 45 HE21 GLN 5 1HE2 GLN 5 -2.950 14.951 4.323 46 HE22 GLN 5 2HE2 GLN 5 -4.762 15.292 4.130 47 H LYS 6 H LYS 6 -1.207 9.568 4.603 48 HA LYS 6 HA LYS 6 -1.163 7.281 2.843 49 HB2 LYS 6 1HB LYS 6 0.716 8.494 4.846 50 HB3 LYS 6 2HB LYS 6 0.930 6.790 4.637 51 HG2 LYS 6 1HG LYS 6 2.397 7.921 3.189 52 HG3 LYS 6 2HG LYS 6 1.328 6.929 2.269 53 HD2 LYS 6 1HD LYS 6 1.150 10.010 2.516 54 HD3 LYS 6 2HD LYS 6 1.983 9.099 1.266 55 HE2 LYS 6 1HE LYS 6 -0.368 8.010 0.713 56 HE3 LYS 6 2HE LYS 6 -1.070 9.283 1.681 57 HZ1 LYS 6 3HZ LYS 6 -0.924 9.988 -0.652 58 HZ2 LYS 6 1HZ LYS 6 0.044 10.928 0.292 59 HZ3 LYS 6 2HZ LYS 6 0.717 9.750 -0.702 60 H SER 7 H SER 7 -1.609 5.253 2.967 61 HA SER 7 HA SER 7 -3.123 4.276 5.471 62 HB2 SER 7 1HB SER 7 -3.858 3.807 2.502 63 HB3 SER 7 2HB SER 7 -4.686 3.118 3.896 64 HG SER 7 HG SER 7 -4.296 5.928 3.664 65 H GLU 8 H GLU 8 -1.524 3.053 6.275 66 HA GLU 8 HA GLU 8 0.024 1.085 4.525 67 HB2 GLU 8 1HB GLU 8 0.618 2.408 7.243 68 HB3 GLU 8 2HB GLU 8 1.627 1.159 6.532 69 HG2 GLU 8 1HG GLU 8 2.169 2.539 4.558 70 HG3 GLU 8 2HG GLU 8 0.990 3.765 4.996 71 H ILE 9 H ILE 9 -1.135 -0.774 4.458 72 HA ILE 9 HA ILE 9 -2.263 -1.927 7.071 73 HB ILE 9 HB ILE 9 -3.003 -2.623 4.190 74 HG12 ILE 9 1HG1 ILE 9 -3.899 -0.413 4.691 75 HG13 ILE 9 2HG1 ILE 9 -5.180 -1.592 4.561 76 HG21 ILE 9 1HG2 ILE 9 -3.341 -4.631 5.508 77 HG22 ILE 9 2HG2 ILE 9 -4.245 -3.748 6.758 78 HG23 ILE 9 3HG2 ILE 9 -4.906 -3.929 5.106 79 HD11 ILE 9 3HD1 ILE 9 -5.392 -1.634 7.116 80 HD12 ILE 9 1HD1 ILE 9 -4.098 -0.415 7.217 81 HD13 ILE 9 2HD1 ILE 9 -5.632 -0.020 6.420 82 H THR 10 H THR 10 -1.902 -3.979 7.603 83 HA THR 10 HA THR 10 0.811 -5.049 7.125 84 HB THR 10 HB THR 10 -1.618 -5.994 8.803 85 HG1 THR 10 HG1 THR 10 -0.291 -3.915 9.120 86 HG21 THR 10 3HG2 THR 10 0.006 -7.149 10.302 87 HG22 THR 10 1HG2 THR 10 -0.035 -7.932 8.716 88 HG23 THR 10 2HG2 THR 10 1.329 -6.863 9.154 89 H ALA 11 H ALA 11 1.306 -7.213 6.541 90 HA ALA 11 HA ALA 11 0.194 -8.038 4.091 91 HB1 ALA 11 3HB ALA 11 1.702 -10.085 4.366 92 HB2 ALA 11 1HB ALA 11 2.510 -8.562 4.760 93 HB3 ALA 11 2HB ALA 11 1.954 -9.648 6.065 94 H LEU 12 H LEU 12 -1.188 -9.454 3.366 95 HA LEU 12 HA LEU 12 -2.902 -11.091 5.295 96 HB2 LEU 12 1HB LEU 12 -3.911 -9.067 3.820 97 HB3 LEU 12 2HB LEU 12 -3.727 -10.176 2.475 98 HG LEU 12 HG LEU 12 -5.215 -11.866 3.821 99 HD11 LEU 12 1HD1 LEU 12 -6.696 -10.763 5.596 100 HD12 LEU 12 2HD1 LEU 12 -5.007 -10.845 6.119 101 HD13 LEU 12 3HD1 LEU 12 -5.673 -9.310 5.536 102 HD21 LEU 12 3HD2 LEU 12 -6.044 -10.455 1.899 103 HD22 LEU 12 1HD2 LEU 12 -7.294 -10.726 3.131 104 HD23 LEU 12 2HD2 LEU 12 -6.474 -9.150 3.043 105 H VAL 13 H VAL 13 -3.334 -13.175 4.705 106 HA VAL 13 HA VAL 13 -1.415 -14.749 3.261 107 HB VAL 13 HB VAL 13 -3.080 -16.625 3.348 108 HG11 VAL 13 1HG1 VAL 13 -1.526 -16.309 5.219 109 HG12 VAL 13 2HG1 VAL 13 -2.630 -15.173 6.023 110 HG13 VAL 13 3HG1 VAL 13 -3.092 -16.882 5.822 111 HG21 VAL 13 3HG2 VAL 13 -5.213 -16.421 4.615 112 HG22 VAL 13 1HG2 VAL 13 -5.014 -14.667 4.762 113 HG23 VAL 13 2HG2 VAL 13 -5.262 -15.392 3.168 114 H LYS 14 H LYS 14 -1.307 -15.699 1.304 115 HA LYS 14 HA LYS 14 -2.250 -14.102 -0.871 116 HB2 LYS 14 1HB LYS 14 -0.155 -15.631 -0.652 117 HB3 LYS 14 2HB LYS 14 -1.127 -16.959 -1.205 118 HG2 LYS 14 1HG LYS 14 -0.965 -14.311 -2.808 119 HG3 LYS 14 2HG LYS 14 0.370 -15.432 -2.849 120 HD2 LYS 14 1HD LYS 14 -0.709 -17.086 -4.035 121 HD3 LYS 14 2HD LYS 14 -2.312 -16.719 -3.472 122 HE2 LYS 14 1HE LYS 14 -0.791 -14.779 -5.361 123 HE3 LYS 14 2HE LYS 14 -1.683 -16.178 -5.962 124 HZ1 LYS 14 3HZ LYS 14 -3.153 -14.106 -5.837 125 HZ2 LYS 14 1HZ LYS 14 -3.733 -15.381 -4.956 126 HZ3 LYS 14 2HZ LYS 14 -3.038 -14.110 -4.197 127 H GLU 15 H GLU 15 -3.878 -14.114 -2.189 128 HA GLU 15 HA GLU 15 -6.252 -15.591 -1.866 129 HB2 GLU 15 1HB GLU 15 -5.481 -13.999 -4.401 130 HB3 GLU 15 2HB GLU 15 -7.079 -14.392 -3.842 131 HG2 GLU 15 1HG GLU 15 -6.758 -12.122 -3.294 132 HG3 GLU 15 2HG GLU 15 -6.677 -12.941 -1.750 133 H VAL 16 H VAL 16 -6.333 -17.709 -2.185 134 HA VAL 16 HA VAL 16 -5.400 -19.025 -4.808 135 HB VAL 16 HB VAL 16 -5.169 -20.148 -1.922 136 HG11 VAL 16 1HG1 VAL 16 -4.273 -21.470 -4.581 137 HG12 VAL 16 2HG1 VAL 16 -3.899 -22.053 -2.938 138 HG13 VAL 16 3HG1 VAL 16 -5.564 -22.034 -3.490 139 HG21 VAL 16 3HG2 VAL 16 -2.890 -19.324 -3.867 140 HG22 VAL 16 1HG2 VAL 16 -3.337 -18.480 -2.365 141 HG23 VAL 16 2HG2 VAL 16 -2.693 -20.116 -2.278 142 H THR 17 H THR 17 -6.821 -20.521 -5.666 143 HA THR 17 HA THR 17 -9.665 -20.453 -4.682 144 HB THR 17 HB THR 17 -8.498 -21.759 -7.201 145 HG1 THR 17 HG1 THR 17 -8.758 -19.334 -6.641 146 HG21 THR 17 3HG2 THR 17 -10.850 -21.799 -8.006 147 HG22 THR 17 1HG2 THR 17 -10.685 -22.874 -6.603 148 HG23 THR 17 2HG2 THR 17 -11.447 -21.275 -6.418 149 HA PRO 18 HA PRO 18 -9.183 -25.090 -3.573 150 HB2 PRO 18 1HB PRO 18 -6.758 -26.460 -3.708 151 HB3 PRO 18 2HB PRO 18 -7.853 -26.263 -5.091 152 HG2 PRO 18 1HG PRO 18 -5.412 -24.514 -4.399 153 HG3 PRO 18 2HG PRO 18 -5.740 -25.335 -5.949 154 HD2 PRO 18 1HD PRO 18 -6.403 -22.687 -5.556 155 HD3 PRO 18 2HD PRO 18 -7.475 -23.718 -6.525 156 HA PRO 19 HA PRO 19 -8.036 -23.931 0.544 157 HB2 PRO 19 1HB PRO 19 -8.256 -26.210 2.100 158 HB3 PRO 19 2HB PRO 19 -9.607 -25.476 1.208 159 HG2 PRO 19 1HG PRO 19 -7.812 -27.800 0.254 160 HG3 PRO 19 2HG PRO 19 -9.594 -27.797 0.364 161 HD2 PRO 19 1HD PRO 19 -8.347 -27.213 -2.021 162 HD3 PRO 19 2HD PRO 19 -9.802 -26.284 -1.535 163 H ARG 20 H ARG 20 -5.891 -23.419 -0.332 164 HA ARG 20 HA ARG 20 -3.733 -24.447 1.591 165 HB2 ARG 20 1HB ARG 20 -3.704 -25.537 -0.784 166 HB3 ARG 20 2HB ARG 20 -3.301 -23.954 -1.437 167 HG2 ARG 20 1HG ARG 20 -1.226 -23.985 0.208 168 HG3 ARG 20 2HG ARG 20 -1.686 -25.658 0.584 169 HD2 ARG 20 1HD ARG 20 -1.472 -26.221 -1.923 170 HD3 ARG 20 2HD ARG 20 -0.970 -24.531 -2.211 171 HE ARG 20 HE ARG 20 0.648 -25.936 -0.092 172 HH11 ARG 20 2HH2 ARG 20 0.448 -25.365 -3.519 173 HH12 ARG 20 1HH2 ARG 20 2.221 -25.751 -3.755 174 HH21 ARG 20 2HH1 ARG 20 2.640 -26.386 -0.399 175 HH22 ARG 20 1HH1 ARG 20 3.380 -26.307 -2.058 176 H LYS 21 H LYS 21 -2.754 -22.805 2.596 177 HA LYS 21 HA LYS 21 -3.058 -19.950 1.491 178 HB2 LYS 21 1HB LYS 21 -2.863 -20.933 4.407 179 HB3 LYS 21 2HB LYS 21 -2.869 -19.250 3.933 180 HG2 LYS 21 1HG LYS 21 -5.201 -21.229 3.478 181 HG3 LYS 21 2HG LYS 21 -5.074 -20.015 4.750 182 HD2 LYS 21 1HD LYS 21 -4.864 -18.211 2.906 183 HD3 LYS 21 2HD LYS 21 -5.203 -19.470 1.713 184 HE2 LYS 21 1HE LYS 21 -7.466 -19.906 2.793 185 HE3 LYS 21 2HE LYS 21 -7.138 -18.647 3.993 186 HZ1 LYS 21 3HZ LYS 21 -7.201 -18.231 0.991 187 HZ2 LYS 21 1HZ LYS 21 -8.291 -17.572 2.032 188 HZ3 LYS 21 2HZ LYS 21 -6.728 -17.072 2.033 189 H ALA 22 H ALA 22 -1.277 -19.226 0.636 190 HA ALA 22 HA ALA 22 1.453 -20.077 1.588 191 HB1 ALA 22 3HB ALA 22 0.657 -18.221 -0.743 192 HB2 ALA 22 1HB ALA 22 2.269 -18.863 -0.423 193 HB3 ALA 22 2HB ALA 22 0.954 -19.967 -0.859 194 HA PRO 23 HA PRO 23 1.883 -16.107 3.947 195 HB2 PRO 23 1HB PRO 23 4.443 -16.362 4.909 196 HB3 PRO 23 2HB PRO 23 3.112 -17.427 5.415 197 HG2 PRO 23 1HG PRO 23 5.211 -18.003 3.225 198 HG3 PRO 23 2HG PRO 23 4.812 -19.034 4.625 199 HD2 PRO 23 1HD PRO 23 3.649 -19.443 2.138 200 HD3 PRO 23 2HD PRO 23 2.711 -19.723 3.644 201 H SER 24 H SER 24 1.562 -15.070 1.879 202 HA SER 24 HA SER 24 3.778 -14.162 0.203 203 HB2 SER 24 1HB SER 24 2.056 -12.770 -0.935 204 HB3 SER 24 2HB SER 24 1.641 -14.468 -0.772 205 HG SER 24 HG SER 24 -0.086 -12.937 -0.223 206 H LYS 25 H LYS 25 4.735 -12.214 0.005 207 HA LYS 25 HA LYS 25 4.785 -10.373 2.415 208 HB2 LYS 25 1HB LYS 25 6.557 -10.643 -0.070 209 HB3 LYS 25 2HB LYS 25 6.542 -9.146 0.820 210 HG2 LYS 25 1HG LYS 25 8.354 -10.387 1.659 211 HG3 LYS 25 2HG LYS 25 7.158 -10.217 2.938 212 HD2 LYS 25 1HD LYS 25 6.345 -12.623 2.383 213 HD3 LYS 25 2HD LYS 25 7.667 -12.779 1.252 214 HE2 LYS 25 1HE LYS 25 7.916 -12.224 4.306 215 HE3 LYS 25 2HE LYS 25 7.954 -13.818 3.566 216 HZ1 LYS 25 3HZ LYS 25 9.992 -13.119 2.284 217 HZ2 LYS 25 1HZ LYS 25 9.994 -11.654 3.016 218 HZ3 LYS 25 2HZ LYS 25 10.262 -13.013 3.901 219 H ALA 26 H ALA 26 2.731 -9.648 2.318 220 HA ALA 26 HA ALA 26 1.752 -8.020 -0.026 221 HB1 ALA 26 3HB ALA 26 -0.457 -8.250 1.271 222 HB2 ALA 26 1HB ALA 26 0.285 -9.775 0.770 223 HB3 ALA 26 2HB ALA 26 0.427 -9.284 2.426 224 H LYS 27 H LYS 27 1.888 -5.921 -0.006 225 HA LYS 27 HA LYS 27 1.619 -4.338 2.616 226 HB2 LYS 27 1HB LYS 27 3.824 -3.840 0.501 227 HB3 LYS 27 2HB LYS 27 3.228 -2.593 1.565 228 HG2 LYS 27 1HG LYS 27 4.951 -3.221 2.842 229 HG3 LYS 27 2HG LYS 27 3.695 -4.192 3.573 230 HD2 LYS 27 1HD LYS 27 4.652 -5.982 1.620 231 HD3 LYS 27 2HD LYS 27 6.087 -5.019 1.859 232 HE2 LYS 27 1HE LYS 27 4.473 -6.550 4.026 233 HE3 LYS 27 2HE LYS 27 5.957 -7.123 3.269 234 HZ1 LYS 27 3HZ LYS 27 7.172 -5.176 4.280 235 HZ2 LYS 27 1HZ LYS 27 5.794 -4.605 4.940 236 HZ3 LYS 27 2HZ LYS 27 6.427 -6.019 5.486 237 H ARG 28 H ARG 28 0.048 -2.956 2.551 238 HA ARG 28 HA ARG 28 -1.057 -1.975 -0.140 239 HB2 ARG 28 1HB ARG 28 -2.679 -1.640 2.401 240 HB3 ARG 28 2HB ARG 28 -3.153 -1.574 0.729 241 HG2 ARG 28 1HG ARG 28 -2.611 -4.134 0.597 242 HG3 ARG 28 2HG ARG 28 -2.421 -4.105 2.339 243 HD2 ARG 28 1HD ARG 28 -4.801 -3.376 2.662 244 HD3 ARG 28 2HD ARG 28 -5.015 -3.210 0.903 245 HE ARG 28 HE ARG 28 -3.977 -5.911 1.772 246 HH11 ARG 28 2HH2 ARG 28 -6.892 -4.168 1.069 247 HH12 ARG 28 1HH2 ARG 28 -7.743 -5.701 0.530 248 HH21 ARG 28 2HH1 ARG 28 -4.969 -7.599 1.156 249 HH22 ARG 28 1HH1 ARG 28 -6.696 -7.531 0.599 250 H GLU 29 H GLU 29 -0.159 -0.059 -0.518 251 HA GLU 29 HA GLU 29 0.310 1.965 1.742 252 HB2 GLU 29 1HB GLU 29 2.499 0.942 -0.192 253 HB3 GLU 29 2HB GLU 29 2.635 2.403 0.780 254 HG2 GLU 29 1HG GLU 29 2.385 1.090 2.907 255 HG3 GLU 29 2HG GLU 29 2.222 -0.402 2.013 256 H ALA 30 H ALA 30 -0.097 3.969 1.152 257 HA ALA 30 HA ALA 30 -0.870 4.627 -1.707 258 HB1 ALA 30 3HB ALA 30 -2.474 5.104 0.066 259 HB2 ALA 30 1HB ALA 30 -1.300 6.054 0.974 260 HB3 ALA 30 2HB ALA 30 -1.912 6.644 -0.553 261 HA PRO 31 HA PRO 31 3.087 7.110 -1.803 262 HB2 PRO 31 1HB PRO 31 3.764 6.894 -4.395 263 HB3 PRO 31 2HB PRO 31 3.839 5.546 -3.265 264 HG2 PRO 31 1HG PRO 31 1.596 6.123 -5.305 265 HG3 PRO 31 2HG PRO 31 2.436 4.578 -5.032 266 HD2 PRO 31 1HD PRO 31 -0.033 5.251 -3.851 267 HD3 PRO 31 2HD PRO 31 1.118 4.096 -3.117 268 H ILE 32 H ILE 32 1.793 8.043 -4.895 269 HA ILE 32 HA ILE 32 1.075 10.783 -3.745 270 HB ILE 32 HB ILE 32 2.026 11.839 -5.871 271 HG12 ILE 32 1HG1 ILE 32 3.735 9.298 -5.995 272 HG13 ILE 32 2HG1 ILE 32 2.483 9.679 -7.161 273 HG21 ILE 32 1HG2 ILE 32 2.930 12.005 -3.522 274 HG22 ILE 32 2HG2 ILE 32 4.061 10.668 -3.870 275 HG23 ILE 32 3HG2 ILE 32 4.154 12.211 -4.760 276 HD11 ILE 32 3HD1 ILE 32 4.708 10.315 -8.068 277 HD12 ILE 32 1HD1 ILE 32 3.831 11.845 -7.757 278 HD13 ILE 32 2HD1 ILE 32 5.075 11.271 -6.681 279 H LYS 33 H LYS 33 -0.669 11.676 -4.417 280 HA LYS 33 HA LYS 33 -2.533 10.347 -6.328 281 HB2 LYS 33 1HB LYS 33 -2.977 11.671 -4.032 282 HB3 LYS 33 2HB LYS 33 -2.920 13.105 -5.022 283 HG2 LYS 33 1HG LYS 33 -5.178 12.473 -4.687 284 HG3 LYS 33 2HG LYS 33 -4.882 12.161 -6.389 285 HD2 LYS 33 1HD LYS 33 -5.206 9.921 -6.215 286 HD3 LYS 33 2HD LYS 33 -4.225 9.704 -4.803 287 HE2 LYS 33 1HE LYS 33 -7.106 10.793 -4.678 288 HE3 LYS 33 2HE LYS 33 -6.707 9.089 -4.558 289 HZ1 LYS 33 3HZ LYS 33 -5.516 9.476 -2.461 290 HZ2 LYS 33 1HZ LYS 33 -5.410 11.098 -2.641 291 HZ3 LYS 33 2HZ LYS 33 -6.872 10.463 -2.342 292 H TYR 34 H TYR 34 -0.239 12.833 -6.660 293 HA TYR 34 HA TYR 34 -1.295 14.155 -9.125 294 HB2 TYR 34 1HB TYR 34 0.371 15.127 -7.433 295 HB3 TYR 34 2HB TYR 34 1.577 13.994 -7.995 296 HD1 TYR 34 HD1 TYR 34 -0.747 16.717 -9.292 297 HD2 TYR 34 HD2 TYR 34 3.074 14.766 -9.724 298 HE1 TYR 34 HE1 TYR 34 -0.030 18.453 -10.868 299 HE2 TYR 34 HE2 TYR 34 3.783 16.522 -11.288 300 HH TYR 34 HH TYR 34 1.547 18.998 -12.400 301 H TRP 35 H TRP 35 0.865 11.397 -8.581 302 HA TRP 35 HA TRP 35 1.175 10.882 -11.570 303 HB2 TRP 35 1HB TRP 35 2.852 10.357 -9.348 304 HB3 TRP 35 2HB TRP 35 2.194 8.783 -9.637 305 HD1 TRP 35 HD1 TRP 35 4.813 11.270 -10.796 306 HE1 TRP 35 HE1 TRP 35 6.339 10.302 -12.708 307 HE3 TRP 35 HE3 TRP 35 1.858 7.234 -11.959 308 HZ2 TRP 35 HZ2 TRP 35 6.178 8.015 -14.382 309 HZ3 TRP 35 HZ3 TRP 35 2.647 5.655 -13.712 310 HH2 TRP 35 HH2 TRP 35 4.761 6.038 -14.899 311 H LEU 36 H LEU 36 -0.338 9.225 -8.720 312 HA LEU 36 HA LEU 36 -1.788 7.368 -10.683 313 HB2 LEU 36 1HB LEU 36 -1.041 6.877 -7.741 314 HB3 LEU 36 2HB LEU 36 -1.938 5.760 -8.755 315 HG LEU 36 HG LEU 36 0.982 6.642 -9.256 316 HD11 LEU 36 1HD1 LEU 36 1.604 4.416 -8.403 317 HD12 LEU 36 2HD1 LEU 36 0.624 5.235 -7.174 318 HD13 LEU 36 3HD1 LEU 36 -0.102 3.954 -8.169 319 HD21 LEU 36 3HD2 LEU 36 1.051 4.731 -10.891 320 HD22 LEU 36 1HD2 LEU 36 -0.690 4.449 -10.673 321 HD23 LEU 36 2HD2 LEU 36 -0.106 5.960 -11.407 322 HA PRO 37 HA PRO 37 -5.386 9.660 -8.998 323 HB2 PRO 37 1HB PRO 37 -7.490 8.369 -10.310 324 HB3 PRO 37 2HB PRO 37 -6.361 9.512 -11.067 325 HG2 PRO 37 1HG PRO 37 -6.153 6.438 -11.078 326 HG3 PRO 37 2HG PRO 37 -6.090 7.533 -12.483 327 HD2 PRO 37 1HD PRO 37 -3.780 6.601 -11.311 328 HD3 PRO 37 2HD PRO 37 -3.845 8.287 -11.911 329 H HIS 38 H HIS 38 -5.099 6.236 -8.496 330 HA HIS 38 HA HIS 38 -6.634 6.563 -5.843 331 HB2 HIS 38 1HB HIS 38 -7.515 4.793 -7.450 332 HB3 HIS 38 2HB HIS 38 -5.971 3.964 -7.397 333 HD1 HIS 38 HD1 HIS 38 -5.298 2.705 -5.038 334 HD2 HIS 38 HD2 HIS 38 -9.225 4.442 -5.282 335 HE1 HIS 38 HE1 HIS 38 -6.786 1.765 -3.158 336 HE2 HIS 38 HE2 HIS 38 -9.179 2.749 -3.218 337 H SER 39 H SER 39 -5.054 7.299 -4.539 338 HA SER 39 HA SER 39 -2.338 6.010 -4.244 339 HB2 SER 39 1HB SER 39 -2.016 7.527 -2.414 340 HB3 SER 39 2HB SER 39 -2.680 8.422 -3.749 341 HG SER 39 HG SER 39 -4.299 7.300 -1.686 342 H GLY 40 H GLY 40 -2.464 3.937 -3.665 343 HA2 GLY 40 1HA GLY 40 -2.624 2.864 -1.156 344 HA3 GLY 40 2HA GLY 40 -4.354 2.923 -1.489 345 H ALA 41 H ALA 41 -1.303 1.534 -2.514 346 HA ALA 41 HA ALA 41 -2.738 -0.330 -4.477 347 HB1 ALA 41 3HB ALA 41 0.194 0.599 -4.294 348 HB2 ALA 41 1HB ALA 41 -0.463 -0.500 -5.532 349 HB3 ALA 41 2HB ALA 41 -1.058 1.164 -5.421 350 H THR 42 H THR 42 -3.233 -2.234 -3.652 351 HA THR 42 HA THR 42 -1.505 -3.696 -1.667 352 HB THR 42 HB THR 42 -3.882 -3.715 -1.337 353 HG1 THR 42 HG1 THR 42 -3.103 -6.319 -2.062 354 HG21 THR 42 3HG2 THR 42 -4.860 -3.858 -3.679 355 HG22 THR 42 1HG2 THR 42 -4.225 -5.503 -3.832 356 HG23 THR 42 2HG2 THR 42 -5.447 -5.126 -2.597 357 H TRP 43 H TRP 43 0.083 -4.977 -2.250 358 HA TRP 43 HA TRP 43 -0.130 -6.643 -4.832 359 HB2 TRP 43 1HB TRP 43 1.443 -4.655 -5.067 360 HB3 TRP 43 2HB TRP 43 2.479 -5.345 -3.813 361 HD1 TRP 43 HD1 TRP 43 2.337 -8.572 -5.092 362 HE1 TRP 43 HE1 TRP 43 3.859 -9.125 -7.140 363 HE3 TRP 43 HE3 TRP 43 3.025 -3.724 -6.705 364 HZ2 TRP 43 HZ2 TRP 43 5.257 -7.565 -9.033 365 HZ3 TRP 43 HZ3 TRP 43 4.590 -3.342 -8.598 366 HH2 TRP 43 HH2 TRP 43 5.715 -5.228 -9.710 367 H SER 44 H SER 44 -0.795 -8.467 -3.752 368 HA SER 44 HA SER 44 0.704 -9.505 -1.366 369 HB2 SER 44 1HB SER 44 -1.636 -10.776 -2.917 370 HB3 SER 44 2HB SER 44 -0.968 -11.338 -1.380 371 HG SER 44 HG SER 44 -2.882 -10.017 -1.291 372 H GLY 45 H GLY 45 2.777 -9.833 -2.353 373 HA2 GLY 45 1HA GLY 45 3.430 -12.596 -2.926 374 HA3 GLY 45 2HA GLY 45 3.196 -11.871 -4.510 375 H ARG 46 H ARG 46 4.506 -10.011 -4.997 376 HA ARG 46 HA ARG 46 7.351 -10.128 -3.970 377 HB2 ARG 46 1HB ARG 46 7.052 -9.924 -6.343 378 HB3 ARG 46 2HB ARG 46 6.011 -8.532 -6.224 379 HG2 ARG 46 1HG ARG 46 8.934 -8.373 -5.257 380 HG3 ARG 46 2HG ARG 46 8.498 -8.320 -6.958 381 HD2 ARG 46 1HD ARG 46 6.872 -6.360 -6.395 382 HD3 ARG 46 2HD ARG 46 7.597 -6.268 -4.813 383 HE ARG 46 HE ARG 46 8.949 -5.708 -7.502 384 HH11 ARG 46 2HH2 ARG 46 9.343 -5.636 -4.004 385 HH12 ARG 46 1HH2 ARG 46 10.891 -4.700 -4.181 386 HH21 ARG 46 2HH1 ARG 46 10.678 -4.613 -7.597 387 HH22 ARG 46 1HH1 ARG 46 11.584 -4.148 -6.093 388 H GLY 47 H GLY 47 8.168 -8.690 -2.635 389 HA2 GLY 47 1HA GLY 47 6.352 -7.163 -0.806 390 HA3 GLY 47 2HA GLY 47 8.092 -7.268 -0.651 391 H LYS 48 H LYS 48 5.545 -5.635 -2.397 392 HA LYS 48 HA LYS 48 7.283 -3.471 -3.410 393 HB2 LYS 48 1HB LYS 48 5.385 -4.480 -4.583 394 HB3 LYS 48 2HB LYS 48 4.239 -3.935 -3.381 395 HG2 LYS 48 1HG LYS 48 6.000 -1.975 -4.994 396 HG3 LYS 48 2HG LYS 48 4.578 -2.670 -5.678 397 HD2 LYS 48 1HD LYS 48 4.760 -0.735 -3.352 398 HD3 LYS 48 2HD LYS 48 4.097 -0.513 -4.953 399 HE2 LYS 48 1HE LYS 48 2.045 -0.804 -4.046 400 HE3 LYS 48 2HE LYS 48 2.374 -2.520 -4.112 401 HZ1 LYS 48 3HZ LYS 48 1.898 -2.213 -1.778 402 HZ2 LYS 48 1HZ LYS 48 3.548 -1.978 -1.737 403 HZ3 LYS 48 2HZ LYS 48 2.529 -0.702 -1.735 404 H ILE 49 H ILE 49 8.227 -2.465 -1.634 405 HA ILE 49 HA ILE 49 6.393 -0.668 0.022 406 HB ILE 49 HB ILE 49 9.414 -0.979 0.522 407 HG12 ILE 49 1HG1 ILE 49 8.440 -2.163 2.738 408 HG13 ILE 49 2HG1 ILE 49 7.048 -2.556 1.743 409 HG21 ILE 49 1HG2 ILE 49 8.869 0.157 2.650 410 HG22 ILE 49 2HG2 ILE 49 8.198 1.125 1.323 411 HG23 ILE 49 3HG2 ILE 49 7.123 0.119 2.297 412 HD11 ILE 49 3HD1 ILE 49 9.999 -3.352 1.174 413 HD12 ILE 49 1HD1 ILE 49 8.746 -4.417 1.846 414 HD13 ILE 49 2HD1 ILE 49 8.624 -3.856 0.174 415 HA PRO 50 HA PRO 50 8.189 2.316 -3.129 416 HB2 PRO 50 1HB PRO 50 6.201 4.214 -3.170 417 HB3 PRO 50 2HB PRO 50 5.926 2.570 -3.784 418 HG2 PRO 50 1HG PRO 50 5.192 3.662 -0.993 419 HG3 PRO 50 2HG PRO 50 4.114 2.815 -2.128 420 HD2 PRO 50 1HD PRO 50 5.541 1.564 -0.041 421 HD3 PRO 50 2HD PRO 50 5.032 0.675 -1.505 422 H LYS 51 H LYS 51 9.360 2.164 -0.733 423 HA LYS 51 HA LYS 51 9.690 4.874 0.480 424 HB2 LYS 51 1HB LYS 51 11.227 2.268 0.872 425 HB3 LYS 51 2HB LYS 51 11.921 3.750 1.463 426 HG2 LYS 51 1HG LYS 51 9.075 2.849 2.263 427 HG3 LYS 51 2HG LYS 51 10.525 2.281 3.046 428 HD2 LYS 51 1HD LYS 51 9.762 3.940 4.454 429 HD3 LYS 51 2HD LYS 51 11.171 4.612 3.687 430 HE2 LYS 51 1HE LYS 51 9.503 6.329 3.965 431 HE3 LYS 51 2HE LYS 51 9.775 6.111 2.253 432 HZ1 LYS 51 3HZ LYS 51 7.379 5.092 3.816 433 HZ2 LYS 51 1HZ LYS 51 7.341 6.212 2.617 434 HZ3 LYS 51 2HZ LYS 51 7.642 4.644 2.270 435 HA PRO 52 HA PRO 52 13.568 5.593 -2.282 436 HB2 PRO 52 1HB PRO 52 14.000 4.044 -4.569 437 HB3 PRO 52 2HB PRO 52 14.702 3.710 -2.971 438 HG2 PRO 52 1HG PRO 52 12.145 2.477 -4.167 439 HG3 PRO 52 2HG PRO 52 13.529 1.612 -3.451 440 HD2 PRO 52 1HD PRO 52 11.269 2.128 -1.983 441 HD3 PRO 52 2HD PRO 52 12.871 2.244 -1.195 442 H PHE 53 H PHE 53 10.494 4.671 -3.580 443 HA PHE 53 HA PHE 53 10.498 6.717 -5.803 444 HB2 PHE 53 1HB PHE 53 9.249 4.631 -6.139 445 HB3 PHE 53 2HB PHE 53 8.273 4.905 -4.713 446 HD1 PHE 53 HD2 PHE 53 9.143 6.513 -8.048 447 HD2 PHE 53 HD1 PHE 53 6.243 6.214 -4.889 448 HE1 PHE 53 HE2 PHE 53 7.479 7.671 -9.462 449 HE2 PHE 53 HE1 PHE 53 4.608 7.403 -6.281 450 HZ PHE 53 HZ PHE 53 5.203 8.099 -8.597 451 H GLU 54 H GLU 54 8.601 6.380 -2.702 452 HA GLU 54 HA GLU 54 7.657 9.171 -2.831 453 HB2 GLU 54 1HB GLU 54 6.511 7.281 -1.598 454 HB3 GLU 54 2HB GLU 54 7.795 7.291 -0.393 455 HG2 GLU 54 1HG GLU 54 7.180 9.716 0.178 456 HG3 GLU 54 2HG GLU 54 5.900 9.655 -1.035 457 H ALA 55 H ALA 55 10.608 7.850 -1.630 458 HA ALA 55 HA ALA 55 11.555 10.257 -0.111 459 HB1 ALA 55 3HB ALA 55 13.763 9.079 -0.211 460 HB2 ALA 55 1HB ALA 55 12.513 8.052 0.487 461 HB3 ALA 55 2HB ALA 55 13.067 7.782 -1.186 462 H TRP 56 H TRP 56 12.310 8.887 -3.429 463 HA TRP 56 HA TRP 56 13.854 11.346 -4.116 464 HB2 TRP 56 1HB TRP 56 14.114 8.928 -5.191 465 HB3 TRP 56 2HB TRP 56 12.795 9.406 -6.254 466 HD1 TRP 56 HD1 TRP 56 16.536 10.137 -5.413 467 HE1 TRP 56 HE1 TRP 56 17.690 11.805 -7.086 468 HE3 TRP 56 HE3 TRP 56 12.289 11.475 -7.993 469 HZ2 TRP 56 HZ2 TRP 56 16.728 13.498 -9.151 470 HZ3 TRP 56 HZ3 TRP 56 12.486 13.193 -9.774 471 HH2 TRP 56 HH2 TRP 56 14.657 14.187 -10.339 472 H ILE 57 H ILE 57 10.507 10.294 -4.718 473 HA ILE 57 HA ILE 57 9.621 12.884 -5.931 474 HB ILE 57 HB ILE 57 8.221 10.525 -4.568 475 HG12 ILE 57 1HG1 ILE 57 9.069 9.947 -6.755 476 HG13 ILE 57 2HG1 ILE 57 7.333 9.924 -6.679 477 HG21 ILE 57 1HG2 ILE 57 6.519 12.651 -5.873 478 HG22 ILE 57 2HG2 ILE 57 6.133 11.171 -4.920 479 HG23 ILE 57 3HG2 ILE 57 6.810 12.579 -4.139 480 HD11 ILE 57 3HD1 ILE 57 7.258 12.163 -7.947 481 HD12 ILE 57 1HD1 ILE 57 9.033 12.126 -8.045 482 HD13 ILE 57 2HD1 ILE 57 8.069 10.860 -8.832 483 H GLY 58 H GLY 58 10.895 12.437 -2.888 484 HA2 GLY 58 1HA GLY 58 9.661 15.092 -2.012 485 HA3 GLY 58 2HA GLY 58 10.169 13.925 -0.810 486 H THR 59 H THR 59 12.749 13.331 -2.367 487 HA THR 59 HA THR 59 14.551 14.954 -1.086 488 HB THR 59 HB THR 59 14.927 13.882 -3.962 489 HG1 THR 59 HG1 THR 59 15.932 12.181 -2.711 490 HG21 THR 59 3HG2 THR 59 17.348 13.628 -3.366 491 HG22 THR 59 1HG2 THR 59 16.903 15.337 -3.330 492 HG23 THR 59 2HG2 THR 59 17.081 14.448 -1.806 493 H ALA 60 H ALA 60 13.340 15.784 -4.243 494 HA ALA 60 HA ALA 60 13.956 18.748 -3.756 495 HB1 ALA 60 3HB ALA 60 14.278 17.381 -6.520 496 HB2 ALA 60 1HB ALA 60 14.468 19.117 -6.178 497 HB3 ALA 60 2HB ALA 60 15.600 17.949 -5.474 498 H ALA 61 H ALA 61 11.758 16.421 -5.245 499 HA ALA 61 HA ALA 61 9.863 18.381 -6.350 500 HB1 ALA 61 3HB ALA 61 9.996 16.127 -7.268 501 HB2 ALA 61 1HB ALA 61 9.608 15.393 -5.701 502 HB3 ALA 61 2HB ALA 61 8.372 16.322 -6.568 503 H TYR 62 H TYR 62 10.144 17.200 -3.158 504 HA TYR 62 HA TYR 62 7.533 17.500 -2.022 505 HB2 TYR 62 1HB TYR 62 9.606 16.792 -0.780 506 HB3 TYR 62 2HB TYR 62 10.199 18.425 -0.779 507 HD1 TYR 62 HD1 TYR 62 7.125 16.436 0.177 508 HD2 TYR 62 HD2 TYR 62 9.798 19.629 1.271 509 HE1 TYR 62 HE1 TYR 62 6.120 16.542 2.432 510 HE2 TYR 62 HE2 TYR 62 8.724 19.777 3.473 511 HH TYR 62 HH TYR 62 7.133 18.930 4.830 512 H THR 63 H THR 63 9.795 20.220 -2.531 513 HA THR 63 HA THR 63 7.914 22.251 -1.475 514 HB THR 63 HB THR 63 10.339 22.570 -1.460 515 HG1 THR 63 HG1 THR 63 10.040 24.761 -2.657 516 HG21 THR 63 3HG2 THR 63 11.040 21.821 -3.783 517 HG22 THR 63 1HG2 THR 63 10.209 23.227 -4.479 518 HG23 THR 63 2HG2 THR 63 11.594 23.450 -3.389 519 H ALA 64 H ALA 64 8.212 20.846 -4.622 520 HA ALA 64 HA ALA 64 6.267 22.778 -5.912 521 HB1 ALA 64 3HB ALA 64 6.523 21.265 -7.926 522 HB2 ALA 64 1HB ALA 64 8.095 21.829 -7.337 523 HB3 ALA 64 2HB ALA 64 7.556 20.173 -6.989 524 H TRP 65 H TRP 65 6.349 19.447 -4.682 525 HA TRP 65 HA TRP 65 3.602 18.717 -5.259 526 HB2 TRP 65 1HB TRP 65 5.829 17.362 -4.354 527 HB3 TRP 65 2HB TRP 65 5.024 17.537 -2.809 528 HD1 TRP 65 HD1 TRP 65 4.886 15.701 -6.173 529 HE1 TRP 65 HE1 TRP 65 2.937 13.980 -6.397 530 HE3 TRP 65 HE3 TRP 65 2.342 17.085 -1.907 531 HZ2 TRP 65 HZ2 TRP 65 0.616 13.423 -4.849 532 HZ3 TRP 65 HZ3 TRP 65 0.211 15.892 -1.370 533 HH2 TRP 65 HH2 TRP 65 -0.597 14.070 -2.824 534 H LYS 66 H LYS 66 4.923 20.178 -2.313 535 HA LYS 66 HA LYS 66 2.375 20.194 -0.770 536 HB2 LYS 66 1HB LYS 66 4.881 21.932 -0.418 537 HB3 LYS 66 2HB LYS 66 3.557 21.837 0.721 538 HG2 LYS 66 1HG LYS 66 5.436 19.482 0.006 539 HG3 LYS 66 2HG LYS 66 5.645 20.573 1.310 540 HD2 LYS 66 1HD LYS 66 4.633 19.102 2.578 541 HD3 LYS 66 2HD LYS 66 3.104 19.703 1.987 542 HE2 LYS 66 1HE LYS 66 2.862 17.899 0.360 543 HE3 LYS 66 2HE LYS 66 4.565 17.449 0.448 544 HZ1 LYS 66 3HZ LYS 66 2.648 17.200 2.779 545 HZ2 LYS 66 1HZ LYS 66 3.264 15.883 2.007 546 HZ3 LYS 66 2HZ LYS 66 4.174 16.897 2.924 547 H ALA 67 H ALA 67 3.664 22.381 -3.202 548 HA ALA 67 HA ALA 67 1.530 24.463 -2.813 549 HB1 ALA 67 3HB ALA 67 3.734 25.040 -3.827 550 HB2 ALA 67 1HB ALA 67 3.432 23.949 -5.197 551 HB3 ALA 67 2HB ALA 67 2.414 25.387 -4.956 552 H LYS 68 H LYS 68 1.833 21.559 -4.943 553 HA LYS 68 HA LYS 68 -0.800 22.160 -6.319 554 HB2 LYS 68 1HB LYS 68 0.922 19.599 -6.326 555 HB3 LYS 68 2HB LYS 68 -0.562 19.767 -7.227 556 HG2 LYS 68 1HG LYS 68 0.381 20.872 -8.951 557 HG3 LYS 68 2HG LYS 68 1.061 22.099 -7.912 558 HD2 LYS 68 1HD LYS 68 2.894 20.177 -7.315 559 HD3 LYS 68 2HD LYS 68 2.277 19.401 -8.741 560 HE2 LYS 68 1HE LYS 68 4.214 20.641 -9.428 561 HE3 LYS 68 2HE LYS 68 2.848 21.509 -10.121 562 HZ1 LYS 68 3HZ LYS 68 3.960 22.246 -7.410 563 HZ2 LYS 68 1HZ LYS 68 4.581 22.955 -8.781 564 HZ3 LYS 68 2HZ LYS 68 3.012 23.188 -8.348 565 H HIS 69 H HIS 69 0.184 20.054 -3.652 566 HA HIS 69 HA HIS 69 -2.733 19.767 -2.854 567 HB2 HIS 69 1HB HIS 69 -0.799 17.477 -3.546 568 HB3 HIS 69 2HB HIS 69 -1.668 17.274 -2.057 569 HD1 HIS 69 HD1 HIS 69 -3.609 15.778 -2.415 570 HD2 HIS 69 HD2 HIS 69 -2.792 18.134 -5.842 571 HE1 HIS 69 HE1 HIS 69 -5.403 15.333 -4.104 572 HE2 HIS 69 HE2 HIS 69 -4.918 16.601 -6.341 573 HA PRO 70 HA PRO 70 -0.991 21.015 1.039 574 HB2 PRO 70 1HB PRO 70 -2.839 20.229 2.944 575 HB3 PRO 70 2HB PRO 70 -3.230 21.299 1.590 576 HG2 PRO 70 1HG PRO 70 -3.605 18.213 1.620 577 HG3 PRO 70 2HG PRO 70 -4.884 19.445 1.382 578 HD2 PRO 70 1HD PRO 70 -3.628 18.330 -0.794 579 HD3 PRO 70 2HD PRO 70 -3.987 20.084 -0.794 580 H ASP 71 H ASP 71 -1.739 18.559 3.278 581 HA ASP 71 HA ASP 71 0.935 17.192 2.748 582 HB2 ASP 71 1HB ASP 71 0.440 18.564 5.071 583 HB3 ASP 71 2HB ASP 71 -0.195 17.008 5.560 584 H GLU 72 H GLU 72 -0.780 16.404 1.193 585 HA GLU 72 HA GLU 72 -2.001 13.839 2.096 586 HB2 GLU 72 1HB GLU 72 -2.600 15.292 -0.078 587 HB3 GLU 72 2HB GLU 72 -1.351 14.374 -0.837 588 HG2 GLU 72 1HG GLU 72 -2.533 12.187 0.010 589 HG3 GLU 72 2HG GLU 72 -3.847 13.205 0.533 590 H LYS 73 H LYS 73 0.995 14.552 0.255 591 HA LYS 73 HA LYS 73 1.970 11.697 0.372 592 HB2 LYS 73 1HB LYS 73 2.515 13.329 -1.564 593 HB3 LYS 73 2HB LYS 73 3.565 14.199 -0.461 594 HG2 LYS 73 1HG LYS 73 4.615 11.652 -0.090 595 HG3 LYS 73 2HG LYS 73 3.742 11.328 -1.543 596 HD2 LYS 73 1HD LYS 73 5.864 11.829 -2.333 597 HD3 LYS 73 2HD LYS 73 5.009 13.324 -2.644 598 HE2 LYS 73 1HE LYS 73 7.090 14.029 -1.825 599 HE3 LYS 73 2HE LYS 73 6.025 14.275 -0.441 600 HZ1 LYS 73 3HZ LYS 73 8.161 13.102 0.181 601 HZ2 LYS 73 1HZ LYS 73 6.872 12.174 0.557 602 HZ3 LYS 73 2HZ LYS 73 7.820 11.827 -0.772 603 H PHE 74 H PHE 74 3.497 10.922 1.749 604 HA PHE 74 HA PHE 74 3.758 12.179 4.409 605 HB2 PHE 74 1HB PHE 74 3.555 9.656 3.753 606 HB3 PHE 74 2HB PHE 74 5.221 9.701 3.273 607 HD1 PHE 74 HD1 PHE 74 2.841 9.800 6.090 608 HD2 PHE 74 HD2 PHE 74 7.020 9.913 5.063 609 HE1 PHE 74 HE1 PHE 74 3.439 9.334 8.443 610 HE2 PHE 74 HE2 PHE 74 7.605 9.454 7.415 611 HZ PHE 74 HZ PHE 74 5.819 9.165 9.108 612 HA PRO 75 HA PRO 75 7.678 14.349 3.319 613 HB2 PRO 75 1HB PRO 75 8.535 15.180 5.813 614 HB3 PRO 75 2HB PRO 75 7.077 15.797 5.011 615 HG2 PRO 75 1HG PRO 75 7.205 13.544 7.110 616 HG3 PRO 75 2HG PRO 75 6.194 15.014 7.165 617 HD2 PRO 75 1HD PRO 75 5.180 12.619 6.192 618 HD3 PRO 75 2HD PRO 75 4.707 14.165 5.422 619 H ALA 76 H ALA 76 8.189 12.084 2.714 620 HA ALA 76 HA ALA 76 10.282 10.672 4.180 621 HB1 ALA 76 3HB ALA 76 9.306 10.298 1.274 622 HB2 ALA 76 1HB ALA 76 10.217 9.114 2.226 623 HB3 ALA 76 2HB ALA 76 8.572 9.569 2.727 624 H PHE 77 H PHE 77 12.356 10.679 4.050 625 HA PHE 77 HA PHE 77 13.895 12.413 2.067 626 HB2 PHE 77 1HB PHE 77 15.671 12.480 3.772 627 HB3 PHE 77 2HB PHE 77 14.158 13.003 4.447 628 HD1 PHE 77 HD1 PHE 77 16.675 10.241 4.442 629 HD2 PHE 77 HD2 PHE 77 13.054 11.667 6.285 630 HE1 PHE 77 HE1 PHE 77 16.828 8.454 6.118 631 HE2 PHE 77 HE2 PHE 77 13.263 9.927 8.017 632 HZ PHE 77 HZ PHE 77 15.138 8.309 7.938 633 HA PRO 78 HA PRO 78 15.737 8.545 0.422 634 HB2 PRO 78 1HB PRO 78 17.852 9.471 -1.049 635 HB3 PRO 78 2HB PRO 78 16.187 10.020 -1.364 636 HG2 PRO 78 1HG PRO 78 18.297 11.443 0.401 637 HG3 PRO 78 2HG PRO 78 17.459 12.145 -1.004 638 HD2 PRO 78 1HD PRO 78 16.508 12.508 1.577 639 HD3 PRO 78 2HD PRO 78 15.362 12.312 0.212 640 H GLY 79 H GLY 79 16.091 8.064 2.793 641 HA2 GLY 79 1HA GLY 79 17.393 6.916 4.444 642 HA3 GLY 79 2HA GLY 79 18.564 6.566 3.185 Start of MODEL 13 1 H1 PHE 1 1H PHE 1 -13.798 12.832 -0.815 2 H2 PHE 1 2H PHE 1 -14.892 14.024 -1.073 3 HA PHE 1 HA PHE 1 -13.649 14.629 -3.149 4 HB2 PHE 1 1HB PHE 1 -12.510 15.005 -0.293 5 HB3 PHE 1 2HB PHE 1 -11.725 15.750 -1.654 6 HD1 PHE 1 HD1 PHE 1 -13.088 17.308 -3.242 7 HD2 PHE 1 HD2 PHE 1 -14.459 16.172 0.684 8 HE1 PHE 1 HE1 PHE 1 -14.599 19.253 -3.198 9 HE2 PHE 1 HE2 PHE 1 -15.954 18.129 0.716 10 HZ PHE 1 HZ PHE 1 -16.030 19.672 -1.221 11 H ASN 2 H ASN 2 -11.641 14.641 -4.160 12 HA ASN 2 HA ASN 2 -10.260 12.041 -4.347 13 HB2 ASN 2 1HB ASN 2 -10.542 13.756 -6.238 14 HB3 ASN 2 2HB ASN 2 -9.343 14.775 -5.454 15 HD21 ASN 2 1HD2 ASN 2 -7.369 14.481 -6.515 16 HD22 ASN 2 2HD2 ASN 2 -6.856 12.870 -7.243 17 H VAL 3 H VAL 3 -9.385 15.006 -2.668 18 HA VAL 3 HA VAL 3 -6.630 14.133 -1.991 19 HB VAL 3 HB VAL 3 -7.129 16.472 -2.246 20 HG11 VAL 3 1HG1 VAL 3 -9.387 16.740 -1.132 21 HG12 VAL 3 2HG1 VAL 3 -8.647 16.448 0.451 22 HG13 VAL 3 3HG1 VAL 3 -8.183 17.872 -0.504 23 HG21 VAL 3 3HG2 VAL 3 -6.066 15.834 0.579 24 HG22 VAL 3 1HG2 VAL 3 -5.138 15.759 -0.937 25 HG23 VAL 3 2HG2 VAL 3 -5.773 17.314 -0.361 26 H LYS 4 H LYS 4 -6.230 12.486 -0.742 27 HA LYS 4 HA LYS 4 -7.527 12.271 2.005 28 HB2 LYS 4 1HB LYS 4 -8.796 10.798 0.306 29 HB3 LYS 4 2HB LYS 4 -7.331 9.867 0.069 30 HG2 LYS 4 1HG LYS 4 -7.791 10.011 2.975 31 HG3 LYS 4 2HG LYS 4 -9.365 9.785 2.239 32 HD2 LYS 4 1HD LYS 4 -8.553 7.681 1.084 33 HD3 LYS 4 2HD LYS 4 -6.902 8.025 1.590 34 HE2 LYS 4 1HE LYS 4 -7.709 6.298 3.052 35 HE3 LYS 4 2HE LYS 4 -7.469 7.760 3.996 36 HZ1 LYS 4 3HZ LYS 4 -9.964 8.174 3.787 37 HZ2 LYS 4 1HZ LYS 4 -10.159 6.760 2.997 38 HZ3 LYS 4 2HZ LYS 4 -9.667 6.762 4.568 39 H GLN 5 H GLN 5 -5.935 12.153 3.435 40 HA GLN 5 HA GLN 5 -3.200 11.566 2.979 41 HB2 GLN 5 1HB GLN 5 -4.945 11.511 5.527 42 HB3 GLN 5 2HB GLN 5 -3.259 11.079 5.624 43 HG2 GLN 5 1HG GLN 5 -3.335 13.341 6.206 44 HG3 GLN 5 2HG GLN 5 -2.521 13.242 4.659 45 HE21 GLN 5 1HE2 GLN 5 -2.947 15.421 4.240 46 HE22 GLN 5 2HE2 GLN 5 -4.673 16.023 3.932 47 H LYS 6 H LYS 6 -1.862 9.979 4.011 48 HA LYS 6 HA LYS 6 -2.335 7.590 2.415 49 HB2 LYS 6 1HB LYS 6 0.067 8.147 4.256 50 HB3 LYS 6 2HB LYS 6 0.046 7.035 2.921 51 HG2 LYS 6 1HG LYS 6 0.057 10.088 2.841 52 HG3 LYS 6 2HG LYS 6 1.299 8.952 2.386 53 HD2 LYS 6 1HD LYS 6 0.591 9.937 0.476 54 HD3 LYS 6 2HD LYS 6 0.125 8.286 0.358 55 HE2 LYS 6 1HE LYS 6 -2.302 8.858 0.685 56 HE3 LYS 6 2HE LYS 6 -1.919 10.495 1.097 57 HZ1 LYS 6 3HZ LYS 6 -2.386 9.628 -1.458 58 HZ2 LYS 6 1HZ LYS 6 -1.607 11.010 -1.130 59 HZ3 LYS 6 2HZ LYS 6 -0.714 9.648 -1.454 60 H SER 7 H SER 7 -1.597 5.412 3.034 61 HA SER 7 HA SER 7 -2.637 4.479 5.730 62 HB2 SER 7 1HB SER 7 -3.978 3.612 3.065 63 HB3 SER 7 2HB SER 7 -4.312 2.925 4.653 64 HG SER 7 HG SER 7 -4.419 5.672 4.652 65 H GLU 8 H GLU 8 -1.289 2.976 6.376 66 HA GLU 8 HA GLU 8 0.287 1.256 4.367 67 HB2 GLU 8 1HB GLU 8 1.267 2.527 7.000 68 HB3 GLU 8 2HB GLU 8 2.167 1.368 6.030 69 HG2 GLU 8 1HG GLU 8 2.156 2.979 4.054 70 HG3 GLU 8 2HG GLU 8 1.262 4.147 5.012 71 H ILE 9 H ILE 9 -0.901 -0.620 4.500 72 HA ILE 9 HA ILE 9 -1.593 -1.738 7.261 73 HB ILE 9 HB ILE 9 -2.698 -2.534 4.513 74 HG12 ILE 9 1HG1 ILE 9 -4.934 -1.752 5.863 75 HG13 ILE 9 2HG1 ILE 9 -3.813 -0.798 6.804 76 HG21 ILE 9 1HG2 ILE 9 -2.699 -4.534 5.965 77 HG22 ILE 9 2HG2 ILE 9 -3.516 -3.637 7.265 78 HG23 ILE 9 3HG2 ILE 9 -4.334 -3.952 5.703 79 HD11 ILE 9 3HD1 ILE 9 -3.121 0.392 4.602 80 HD12 ILE 9 1HD1 ILE 9 -4.300 -0.630 3.748 81 HD13 ILE 9 2HD1 ILE 9 -4.847 0.514 4.978 82 H THR 10 H THR 10 -0.968 -3.687 7.899 83 HA THR 10 HA THR 10 1.632 -4.735 6.988 84 HB THR 10 HB THR 10 -0.382 -5.638 9.153 85 HG1 THR 10 HG1 THR 10 0.934 -3.468 9.002 86 HG21 THR 10 3HG2 THR 10 2.649 -6.249 9.025 87 HG22 THR 10 1HG2 THR 10 1.568 -6.561 10.399 88 HG23 THR 10 2HG2 THR 10 1.339 -7.460 8.893 89 H ALA 11 H ALA 11 2.099 -6.934 6.481 90 HA ALA 11 HA ALA 11 0.497 -7.973 4.385 91 HB1 ALA 11 3HB ALA 11 2.204 -9.901 4.381 92 HB2 ALA 11 1HB ALA 11 2.933 -8.290 4.421 93 HB3 ALA 11 2HB ALA 11 2.850 -9.281 5.913 94 H LEU 12 H LEU 12 -0.488 -9.910 3.980 95 HA LEU 12 HA LEU 12 -1.804 -11.295 6.366 96 HB2 LEU 12 1HB LEU 12 -3.199 -9.477 4.921 97 HB3 LEU 12 2HB LEU 12 -3.262 -10.750 3.714 98 HG LEU 12 HG LEU 12 -4.291 -12.278 5.604 99 HD11 LEU 12 1HD1 LEU 12 -5.375 -11.027 7.507 100 HD12 LEU 12 2HD1 LEU 12 -3.626 -10.799 7.591 101 HD13 LEU 12 3HD1 LEU 12 -4.652 -9.501 6.963 102 HD21 LEU 12 3HD2 LEU 12 -5.643 -11.269 3.738 103 HD22 LEU 12 1HD2 LEU 12 -6.552 -11.335 5.254 104 HD23 LEU 12 2HD2 LEU 12 -5.885 -9.787 4.701 105 H VAL 13 H VAL 13 -2.042 -13.458 6.190 106 HA VAL 13 HA VAL 13 -0.458 -15.001 4.283 107 HB VAL 13 HB VAL 13 -1.549 -17.025 5.270 108 HG11 VAL 13 1HG1 VAL 13 -0.435 -16.871 7.482 109 HG12 VAL 13 2HG1 VAL 13 0.575 -16.163 6.208 110 HG13 VAL 13 3HG1 VAL 13 -0.309 -15.107 7.335 111 HG21 VAL 13 3HG2 VAL 13 -2.940 -16.924 7.297 112 HG22 VAL 13 1HG2 VAL 13 -2.967 -15.152 7.280 113 HG23 VAL 13 2HG2 VAL 13 -3.791 -16.061 6.002 114 H LYS 14 H LYS 14 -0.949 -16.080 2.495 115 HA LYS 14 HA LYS 14 -2.853 -14.733 0.879 116 HB2 LYS 14 1HB LYS 14 -0.627 -15.809 0.229 117 HB3 LYS 14 2HB LYS 14 -1.417 -17.363 0.110 118 HG2 LYS 14 1HG LYS 14 -2.952 -16.437 -1.716 119 HG3 LYS 14 2HG LYS 14 -2.296 -14.836 -1.466 120 HD2 LYS 14 1HD LYS 14 -1.327 -15.619 -3.430 121 HD3 LYS 14 2HD LYS 14 -0.018 -15.625 -2.258 122 HE2 LYS 14 1HE LYS 14 -0.262 -18.137 -1.969 123 HE3 LYS 14 2HE LYS 14 -1.678 -18.145 -3.022 124 HZ1 LYS 14 3HZ LYS 14 1.045 -17.189 -3.940 125 HZ2 LYS 14 1HZ LYS 14 0.456 -18.690 -4.275 126 HZ3 LYS 14 2HZ LYS 14 -0.276 -17.356 -4.890 127 H GLU 15 H GLU 15 -4.767 -15.085 -0.050 128 HA GLU 15 HA GLU 15 -6.674 -17.000 0.874 129 HB2 GLU 15 1HB GLU 15 -6.707 -15.275 -1.696 130 HB3 GLU 15 2HB GLU 15 -8.096 -16.022 -0.931 131 HG2 GLU 15 1HG GLU 15 -8.254 -13.800 -0.233 132 HG3 GLU 15 2HG GLU 15 -7.620 -14.593 1.189 133 H VAL 16 H VAL 16 -7.092 -19.020 0.266 134 HA VAL 16 HA VAL 16 -6.355 -20.164 -2.393 135 HB VAL 16 HB VAL 16 -5.218 -21.867 -0.120 136 HG11 VAL 16 1HG1 VAL 16 -4.179 -21.330 -2.996 137 HG12 VAL 16 2HG1 VAL 16 -3.661 -22.627 -1.892 138 HG13 VAL 16 3HG1 VAL 16 -5.286 -22.647 -2.579 139 HG21 VAL 16 3HG2 VAL 16 -2.917 -20.957 -0.295 140 HG22 VAL 16 1HG2 VAL 16 -3.502 -19.551 -1.232 141 HG23 VAL 16 2HG2 VAL 16 -4.008 -19.794 0.450 142 H THR 17 H THR 17 -7.371 -22.244 -2.766 143 HA THR 17 HA THR 17 -9.998 -22.434 -1.409 144 HB THR 17 HB THR 17 -8.866 -24.248 -3.612 145 HG1 THR 17 HG1 THR 17 -9.821 -21.727 -3.521 146 HG21 THR 17 3HG2 THR 17 -11.778 -23.860 -2.650 147 HG22 THR 17 1HG2 THR 17 -11.255 -24.718 -4.117 148 HG23 THR 17 2HG2 THR 17 -10.833 -25.359 -2.520 149 HA PRO 18 HA PRO 18 -8.740 -26.416 0.887 150 HB2 PRO 18 1HB PRO 18 -6.300 -27.680 0.645 151 HB3 PRO 18 2HB PRO 18 -7.566 -27.845 -0.593 152 HG2 PRO 18 1HG PRO 18 -5.179 -25.888 -0.637 153 HG3 PRO 18 2HG PRO 18 -5.633 -27.056 -1.906 154 HD2 PRO 18 1HD PRO 18 -6.436 -24.377 -1.909 155 HD3 PRO 18 2HD PRO 18 -7.461 -25.637 -2.644 156 HA PRO 19 HA PRO 19 -6.745 -23.995 4.147 157 HB2 PRO 19 1HB PRO 19 -6.613 -25.699 6.316 158 HB3 PRO 19 2HB PRO 19 -8.136 -25.157 5.581 159 HG2 PRO 19 1HG PRO 19 -6.643 -27.798 5.020 160 HG3 PRO 19 2HG PRO 19 -8.358 -27.606 5.485 161 HD2 PRO 19 1HD PRO 19 -7.603 -27.869 2.830 162 HD3 PRO 19 2HD PRO 19 -8.960 -26.787 3.285 163 H ARG 20 H ARG 20 -4.856 -23.919 2.716 164 HA ARG 20 HA ARG 20 -2.336 -24.723 4.252 165 HB2 ARG 20 1HB ARG 20 -3.157 -26.169 2.060 166 HB3 ARG 20 2HB ARG 20 -2.332 -24.894 1.183 167 HG2 ARG 20 1HG ARG 20 -0.260 -25.407 2.812 168 HG3 ARG 20 2HG ARG 20 -1.230 -26.738 3.405 169 HD2 ARG 20 1HD ARG 20 -0.009 -27.896 1.851 170 HD3 ARG 20 2HD ARG 20 -1.405 -27.499 0.831 171 HE ARG 20 HE ARG 20 0.604 -25.341 0.649 172 HH11 ARG 20 2HH2 ARG 20 0.134 -28.611 -0.434 173 HH12 ARG 20 1HH2 ARG 20 1.403 -28.442 -1.739 174 HH21 ARG 20 2HH1 ARG 20 2.068 -25.194 -0.805 175 HH22 ARG 20 1HH1 ARG 20 2.435 -26.584 -1.918 176 H LYS 21 H LYS 21 -1.211 -22.977 4.701 177 HA LYS 21 HA LYS 21 -1.831 -20.406 3.193 178 HB2 LYS 21 1HB LYS 21 -0.933 -20.939 6.087 179 HB3 LYS 21 2HB LYS 21 -1.066 -19.333 5.413 180 HG2 LYS 21 1HG LYS 21 -3.409 -21.348 5.538 181 HG3 LYS 21 2HG LYS 21 -3.079 -20.145 6.756 182 HD2 LYS 21 1HD LYS 21 -4.016 -18.442 5.616 183 HD3 LYS 21 2HD LYS 21 -3.162 -18.772 4.124 184 HE2 LYS 21 1HE LYS 21 -4.832 -20.584 3.524 185 HE3 LYS 21 2HE LYS 21 -5.708 -20.296 5.037 186 HZ1 LYS 21 3HZ LYS 21 -6.704 -18.904 3.229 187 HZ2 LYS 21 1HZ LYS 21 -5.961 -17.880 4.285 188 HZ3 LYS 21 2HZ LYS 21 -5.227 -18.236 2.860 189 H ALA 22 H ALA 22 -0.386 -19.826 1.786 190 HA ALA 22 HA ALA 22 2.557 -20.269 2.113 191 HB1 ALA 22 3HB ALA 22 1.432 -20.437 -0.130 192 HB2 ALA 22 1HB ALA 22 0.990 -18.710 -0.048 193 HB3 ALA 22 2HB ALA 22 2.697 -19.195 -0.139 194 HA PRO 23 HA PRO 23 3.242 -16.082 3.949 195 HB2 PRO 23 1HB PRO 23 5.985 -15.897 3.869 196 HB3 PRO 23 2HB PRO 23 5.124 -17.088 4.870 197 HG2 PRO 23 1HG PRO 23 6.297 -17.550 2.049 198 HG3 PRO 23 2HG PRO 23 6.649 -18.499 3.520 199 HD2 PRO 23 1HD PRO 23 4.709 -19.312 1.722 200 HD3 PRO 23 2HD PRO 23 4.451 -19.536 3.484 201 H SER 24 H SER 24 2.024 -15.293 2.100 202 HA SER 24 HA SER 24 3.338 -14.027 -0.216 203 HB2 SER 24 1HB SER 24 1.056 -14.705 -0.342 204 HB3 SER 24 2HB SER 24 0.544 -13.643 0.993 205 HG SER 24 HG SER 24 1.225 -13.001 -1.662 206 H LYS 25 H LYS 25 4.506 -12.217 -0.235 207 HA LYS 25 HA LYS 25 4.621 -10.356 2.104 208 HB2 LYS 25 1HB LYS 25 5.937 -9.894 -0.634 209 HB3 LYS 25 2HB LYS 25 6.258 -9.046 0.862 210 HG2 LYS 25 1HG LYS 25 7.029 -11.916 0.136 211 HG3 LYS 25 2HG LYS 25 8.049 -10.517 0.347 212 HD2 LYS 25 1HD LYS 25 6.853 -10.670 2.915 213 HD3 LYS 25 2HD LYS 25 6.718 -12.326 2.388 214 HE2 LYS 25 1HE LYS 25 8.780 -12.357 3.516 215 HE3 LYS 25 2HE LYS 25 9.306 -12.250 1.841 216 HZ1 LYS 25 3HZ LYS 25 9.018 -9.893 3.732 217 HZ2 LYS 25 1HZ LYS 25 10.457 -10.517 3.247 218 HZ3 LYS 25 2HZ LYS 25 9.487 -9.740 2.172 219 H ALA 26 H ALA 26 2.531 -9.565 2.248 220 HA ALA 26 HA ALA 26 1.405 -7.852 0.041 221 HB1 ALA 26 3HB ALA 26 -0.679 -7.982 1.460 222 HB2 ALA 26 1HB ALA 26 -0.018 -9.567 1.007 223 HB3 ALA 26 2HB ALA 26 0.233 -8.969 2.625 224 H LYS 27 H LYS 27 1.649 -5.783 -0.013 225 HA LYS 27 HA LYS 27 1.853 -4.127 2.546 226 HB2 LYS 27 1HB LYS 27 3.747 -3.746 0.128 227 HB3 LYS 27 2HB LYS 27 3.259 -2.423 1.112 228 HG2 LYS 27 1HG LYS 27 4.932 -2.748 2.433 229 HG3 LYS 27 2HG LYS 27 4.055 -4.040 3.192 230 HD2 LYS 27 1HD LYS 27 6.192 -4.270 0.960 231 HD3 LYS 27 2HD LYS 27 6.426 -4.518 2.656 232 HE2 LYS 27 1HE LYS 27 6.304 -6.724 1.971 233 HE3 LYS 27 2HE LYS 27 4.628 -6.486 2.473 234 HZ1 LYS 27 3HZ LYS 27 4.061 -5.874 0.170 235 HZ2 LYS 27 1HZ LYS 27 5.596 -6.006 -0.371 236 HZ3 LYS 27 2HZ LYS 27 4.709 -7.357 0.043 237 H ARG 28 H ARG 28 0.244 -2.797 2.594 238 HA ARG 28 HA ARG 28 -1.167 -1.933 -0.003 239 HB2 ARG 28 1HB ARG 28 -2.619 -1.641 2.623 240 HB3 ARG 28 2HB ARG 28 -3.219 -1.763 1.000 241 HG2 ARG 28 1HG ARG 28 -2.526 -4.291 1.057 242 HG3 ARG 28 2HG ARG 28 -2.095 -4.049 2.741 243 HD2 ARG 28 1HD ARG 28 -4.515 -3.287 3.222 244 HD3 ARG 28 2HD ARG 28 -4.913 -3.649 1.525 245 HE ARG 28 HE ARG 28 -3.532 -5.935 2.893 246 HH11 ARG 28 2HH2 ARG 28 -6.663 -4.504 2.448 247 HH12 ARG 28 1HH2 ARG 28 -7.512 -6.091 2.781 248 HH21 ARG 28 2HH1 ARG 28 -4.517 -7.713 3.267 249 HH22 ARG 28 1HH1 ARG 28 -6.328 -7.810 3.208 250 H GLU 29 H GLU 29 -0.173 -0.079 -0.436 251 HA GLU 29 HA GLU 29 0.430 1.946 1.798 252 HB2 GLU 29 1HB GLU 29 2.410 1.057 -0.390 253 HB3 GLU 29 2HB GLU 29 2.582 2.514 0.578 254 HG2 GLU 29 1HG GLU 29 2.698 1.213 2.698 255 HG3 GLU 29 2HG GLU 29 2.448 -0.296 1.837 256 H ALA 30 H ALA 30 -0.255 3.903 1.305 257 HA ALA 30 HA ALA 30 -1.057 4.686 -1.488 258 HB1 ALA 30 3HB ALA 30 -1.157 6.132 1.206 259 HB2 ALA 30 1HB ALA 30 -1.729 6.853 -0.276 260 HB3 ALA 30 2HB ALA 30 -2.518 5.378 0.329 261 HA PRO 31 HA PRO 31 2.762 7.295 -1.894 262 HB2 PRO 31 1HB PRO 31 3.368 6.922 -4.489 263 HB3 PRO 31 2HB PRO 31 3.535 5.629 -3.298 264 HG2 PRO 31 1HG PRO 31 1.122 6.072 -5.187 265 HG3 PRO 31 2HG PRO 31 2.105 4.593 -5.063 266 HD2 PRO 31 1HD PRO 31 -0.253 4.938 -3.619 267 HD3 PRO 31 2HD PRO 31 1.123 4.022 -2.940 268 H ILE 32 H ILE 32 1.865 8.203 -4.976 269 HA ILE 32 HA ILE 32 0.853 10.876 -3.889 270 HB ILE 32 HB ILE 32 1.956 11.886 -5.932 271 HG12 ILE 32 1HG1 ILE 32 3.377 9.162 -6.173 272 HG13 ILE 32 2HG1 ILE 32 2.266 9.871 -7.320 273 HG21 ILE 32 1HG2 ILE 32 2.780 11.930 -3.550 274 HG22 ILE 32 2HG2 ILE 32 3.829 10.528 -3.876 275 HG23 ILE 32 3HG2 ILE 32 4.077 12.079 -4.725 276 HD11 ILE 32 3HD1 ILE 32 4.524 10.258 -8.153 277 HD12 ILE 32 1HD1 ILE 32 3.987 11.857 -7.566 278 HD13 ILE 32 2HD1 ILE 32 5.085 10.850 -6.627 279 H LYS 33 H LYS 33 -0.959 11.681 -4.537 280 HA LYS 33 HA LYS 33 -2.724 10.479 -6.602 281 HB2 LYS 33 1HB LYS 33 -3.081 12.276 -4.360 282 HB3 LYS 33 2HB LYS 33 -3.453 13.265 -5.713 283 HG2 LYS 33 1HG LYS 33 -5.437 12.317 -4.823 284 HG3 LYS 33 2HG LYS 33 -5.239 11.655 -6.452 285 HD2 LYS 33 1HD LYS 33 -4.728 9.476 -5.685 286 HD3 LYS 33 2HD LYS 33 -4.072 10.046 -4.153 287 HE2 LYS 33 1HE LYS 33 -6.043 8.840 -3.615 288 HE3 LYS 33 2HE LYS 33 -6.286 10.531 -3.222 289 HZ1 LYS 33 3HZ LYS 33 -8.258 9.476 -4.440 290 HZ2 LYS 33 1HZ LYS 33 -7.700 10.776 -5.246 291 HZ3 LYS 33 2HZ LYS 33 -7.327 9.308 -5.812 292 H TYR 34 H TYR 34 -0.373 12.856 -6.771 293 HA TYR 34 HA TYR 34 -1.142 14.309 -9.270 294 HB2 TYR 34 1HB TYR 34 0.507 15.116 -7.545 295 HB3 TYR 34 2HB TYR 34 1.585 13.793 -7.928 296 HD1 TYR 34 HD1 TYR 34 -0.011 16.894 -9.412 297 HD2 TYR 34 HD2 TYR 34 3.203 14.035 -9.694 298 HE1 TYR 34 HE1 TYR 34 1.146 18.335 -11.041 299 HE2 TYR 34 HE2 TYR 34 4.345 15.481 -11.309 300 HH TYR 34 HH TYR 34 3.926 17.353 -12.789 301 H TRP 35 H TRP 35 0.773 11.368 -8.715 302 HA TRP 35 HA TRP 35 1.145 10.905 -11.706 303 HB2 TRP 35 1HB TRP 35 2.988 10.611 -9.947 304 HB3 TRP 35 2HB TRP 35 2.127 9.205 -9.334 305 HD1 TRP 35 HD1 TRP 35 1.573 7.387 -11.904 306 HE1 TRP 35 HE1 TRP 35 3.537 6.254 -13.222 307 HE3 TRP 35 HE3 TRP 35 5.295 10.651 -10.437 308 HZ2 TRP 35 HZ2 TRP 35 6.320 6.765 -13.435 309 HZ3 TRP 35 HZ3 TRP 35 7.609 10.211 -11.215 310 HH2 TRP 35 HH2 TRP 35 8.112 8.310 -12.676 311 H LEU 36 H LEU 36 -0.429 9.154 -8.895 312 HA LEU 36 HA LEU 36 -2.022 7.597 -10.952 313 HB2 LEU 36 1HB LEU 36 -2.255 5.767 -9.363 314 HB3 LEU 36 2HB LEU 36 -0.723 5.950 -10.168 315 HG LEU 36 HG LEU 36 -0.941 7.110 -7.348 316 HD11 LEU 36 1HD1 LEU 36 -0.559 4.093 -7.947 317 HD12 LEU 36 2HD1 LEU 36 -0.447 4.874 -6.357 318 HD13 LEU 36 3HD1 LEU 36 -1.996 4.812 -7.202 319 HD21 LEU 36 3HD2 LEU 36 1.468 6.640 -7.346 320 HD22 LEU 36 1HD2 LEU 36 1.341 5.521 -8.725 321 HD23 LEU 36 2HD2 LEU 36 1.104 7.245 -8.980 322 HA PRO 37 HA PRO 37 -5.311 9.862 -8.750 323 HB2 PRO 37 1HB PRO 37 -7.611 8.906 -10.005 324 HB3 PRO 37 2HB PRO 37 -6.424 9.991 -10.753 325 HG2 PRO 37 1HG PRO 37 -6.513 6.918 -11.003 326 HG3 PRO 37 2HG PRO 37 -6.469 8.111 -12.331 327 HD2 PRO 37 1HD PRO 37 -4.148 6.929 -11.458 328 HD3 PRO 37 2HD PRO 37 -4.140 8.675 -11.882 329 H HIS 38 H HIS 38 -4.955 6.523 -8.226 330 HA HIS 38 HA HIS 38 -6.557 6.831 -5.610 331 HB2 HIS 38 1HB HIS 38 -7.632 5.272 -7.321 332 HB3 HIS 38 2HB HIS 38 -6.185 4.287 -7.350 333 HD1 HIS 38 HD1 HIS 38 -5.578 2.833 -5.111 334 HD2 HIS 38 HD2 HIS 38 -9.353 4.895 -5.077 335 HE1 HIS 38 HE1 HIS 38 -7.075 1.888 -3.234 336 HE2 HIS 38 HE2 HIS 38 -9.359 3.098 -3.106 337 H SER 39 H SER 39 -4.597 7.609 -4.642 338 HA SER 39 HA SER 39 -2.261 5.907 -4.270 339 HB2 SER 39 1HB SER 39 -1.657 7.313 -2.404 340 HB3 SER 39 2HB SER 39 -2.212 8.321 -3.733 341 HG SER 39 HG SER 39 -3.971 7.448 -1.673 342 H GLY 40 H GLY 40 -2.511 3.933 -3.626 343 HA2 GLY 40 1HA GLY 40 -2.687 2.808 -1.153 344 HA3 GLY 40 2HA GLY 40 -4.418 3.028 -1.418 345 H ALA 41 H ALA 41 -1.533 1.460 -2.616 346 HA ALA 41 HA ALA 41 -3.243 -0.442 -4.343 347 HB1 ALA 41 3HB ALA 41 -1.743 0.988 -5.663 348 HB2 ALA 41 1HB ALA 41 -0.313 0.412 -4.780 349 HB3 ALA 41 2HB ALA 41 -1.258 -0.709 -5.785 350 H THR 42 H THR 42 -3.520 -2.307 -3.447 351 HA THR 42 HA THR 42 -1.595 -3.572 -1.505 352 HB THR 42 HB THR 42 -3.840 -3.582 -0.870 353 HG1 THR 42 HG1 THR 42 -3.442 -6.248 -1.561 354 HG21 THR 42 3HG2 THR 42 -5.608 -4.999 -1.804 355 HG22 THR 42 1HG2 THR 42 -5.186 -3.760 -2.992 356 HG23 THR 42 2HG2 THR 42 -4.629 -5.423 -3.223 357 H TRP 43 H TRP 43 0.157 -4.357 -2.453 358 HA TRP 43 HA TRP 43 -0.132 -6.323 -4.804 359 HB2 TRP 43 1HB TRP 43 1.526 -4.401 -5.002 360 HB3 TRP 43 2HB TRP 43 2.510 -5.188 -3.763 361 HD1 TRP 43 HD1 TRP 43 2.298 -8.371 -4.911 362 HE1 TRP 43 HE1 TRP 43 3.574 -9.078 -7.072 363 HE3 TRP 43 HE3 TRP 43 2.903 -3.647 -6.857 364 HZ2 TRP 43 HZ2 TRP 43 4.787 -7.664 -9.198 365 HZ3 TRP 43 HZ3 TRP 43 4.263 -3.407 -8.938 366 HH2 TRP 43 HH2 TRP 43 5.217 -5.381 -10.053 367 H SER 44 H SER 44 -0.739 -8.228 -3.827 368 HA SER 44 HA SER 44 0.758 -9.292 -1.410 369 HB2 SER 44 1HB SER 44 -0.980 -10.995 -1.285 370 HB3 SER 44 2HB SER 44 -1.619 -9.347 -1.241 371 HG SER 44 HG SER 44 -2.798 -10.812 -2.616 372 H GLY 45 H GLY 45 2.739 -9.866 -2.151 373 HA2 GLY 45 1HA GLY 45 3.285 -12.525 -2.877 374 HA3 GLY 45 2HA GLY 45 3.066 -11.822 -4.467 375 H ARG 46 H ARG 46 4.360 -9.863 -4.861 376 HA ARG 46 HA ARG 46 7.270 -10.461 -4.409 377 HB2 ARG 46 1HB ARG 46 6.296 -9.894 -6.607 378 HB3 ARG 46 2HB ARG 46 5.723 -8.341 -6.031 379 HG2 ARG 46 1HG ARG 46 8.743 -8.864 -6.018 380 HG3 ARG 46 2HG ARG 46 7.904 -8.671 -7.542 381 HD2 ARG 46 1HD ARG 46 6.964 -6.433 -6.824 382 HD3 ARG 46 2HD ARG 46 7.720 -6.598 -5.266 383 HE ARG 46 HE ARG 46 9.905 -6.139 -6.175 384 HH11 ARG 46 2HH2 ARG 46 7.625 -6.449 -8.782 385 HH12 ARG 46 1HH2 ARG 46 8.768 -5.654 -9.968 386 HH21 ARG 46 2HH1 ARG 46 11.173 -5.251 -7.538 387 HH22 ARG 46 1HH1 ARG 46 10.677 -5.017 -9.269 388 H GLY 47 H GLY 47 8.791 -8.944 -3.633 389 HA2 GLY 47 1HA GLY 47 8.106 -7.456 -1.156 390 HA3 GLY 47 2HA GLY 47 9.665 -7.467 -1.938 391 H LYS 48 H LYS 48 6.469 -6.156 -2.464 392 HA LYS 48 HA LYS 48 7.503 -3.683 -3.788 393 HB2 LYS 48 1HB LYS 48 5.574 -4.893 -4.598 394 HB3 LYS 48 2HB LYS 48 4.690 -4.723 -3.103 395 HG2 LYS 48 1HG LYS 48 5.547 -2.141 -4.545 396 HG3 LYS 48 2HG LYS 48 4.365 -3.157 -5.318 397 HD2 LYS 48 1HD LYS 48 2.993 -3.126 -3.083 398 HD3 LYS 48 2HD LYS 48 4.142 -1.918 -2.520 399 HE2 LYS 48 1HE LYS 48 3.487 -0.523 -4.654 400 HE3 LYS 48 2HE LYS 48 2.199 -1.705 -4.918 401 HZ1 LYS 48 3HZ LYS 48 1.689 0.400 -3.365 402 HZ2 LYS 48 1HZ LYS 48 1.096 -1.053 -2.890 403 HZ3 LYS 48 2HZ LYS 48 2.458 -0.454 -2.197 404 H ILE 49 H ILE 49 8.643 -2.488 -2.257 405 HA ILE 49 HA ILE 49 6.858 -0.966 -0.275 406 HB ILE 49 HB ILE 49 9.917 -1.195 0.021 407 HG12 ILE 49 1HG1 ILE 49 9.391 -2.455 2.206 408 HG13 ILE 49 2HG1 ILE 49 7.802 -2.820 1.564 409 HG21 ILE 49 1HG2 ILE 49 9.468 -0.134 2.239 410 HG22 ILE 49 2HG2 ILE 49 8.662 0.853 1.012 411 HG23 ILE 49 3HG2 ILE 49 7.700 -0.253 1.999 412 HD11 ILE 49 3HD1 ILE 49 9.530 -4.671 1.313 413 HD12 ILE 49 1HD1 ILE 49 8.924 -4.197 -0.277 414 HD13 ILE 49 2HD1 ILE 49 10.513 -3.625 0.269 415 HA PRO 50 HA PRO 50 8.494 2.239 -3.357 416 HB2 PRO 50 1HB PRO 50 6.371 4.009 -3.321 417 HB3 PRO 50 2HB PRO 50 6.299 2.452 -4.172 418 HG2 PRO 50 1HG PRO 50 5.296 3.046 -1.306 419 HG3 PRO 50 2HG PRO 50 4.338 2.365 -2.644 420 HD2 PRO 50 1HD PRO 50 5.577 0.749 -0.770 421 HD3 PRO 50 2HD PRO 50 5.486 0.214 -2.470 422 H LYS 51 H LYS 51 9.574 1.980 -0.961 423 HA LYS 51 HA LYS 51 9.743 4.683 0.385 424 HB2 LYS 51 1HB LYS 51 10.655 2.008 1.174 425 HB3 LYS 51 2HB LYS 51 12.050 3.015 1.059 426 HG2 LYS 51 1HG LYS 51 11.419 3.188 3.243 427 HG3 LYS 51 2HG LYS 51 10.983 4.742 2.596 428 HD2 LYS 51 1HD LYS 51 8.971 2.406 3.072 429 HD3 LYS 51 2HD LYS 51 9.461 3.534 4.289 430 HE2 LYS 51 1HE LYS 51 7.683 4.760 3.793 431 HE3 LYS 51 2HE LYS 51 8.618 5.422 2.466 432 HZ1 LYS 51 3HZ LYS 51 6.688 3.079 2.240 433 HZ2 LYS 51 1HZ LYS 51 6.389 4.594 1.728 434 HZ3 LYS 51 2HZ LYS 51 7.531 3.689 0.971 435 HA PRO 52 HA PRO 52 13.688 5.374 -2.318 436 HB2 PRO 52 1HB PRO 52 14.186 3.785 -4.555 437 HB3 PRO 52 2HB PRO 52 14.846 3.492 -2.934 438 HG2 PRO 52 1HG PRO 52 12.315 2.218 -4.150 439 HG3 PRO 52 2HG PRO 52 13.702 1.373 -3.411 440 HD2 PRO 52 1HD PRO 52 11.444 1.881 -1.954 441 HD3 PRO 52 2HD PRO 52 13.041 2.058 -1.169 442 H PHE 53 H PHE 53 10.633 4.414 -3.643 443 HA PHE 53 HA PHE 53 10.627 6.491 -5.843 444 HB2 PHE 53 1HB PHE 53 9.372 4.445 -6.253 445 HB3 PHE 53 2HB PHE 53 8.420 4.635 -4.797 446 HD1 PHE 53 HD2 PHE 53 9.171 6.361 -8.102 447 HD2 PHE 53 HD1 PHE 53 6.387 5.964 -4.844 448 HE1 PHE 53 HE2 PHE 53 7.475 7.612 -9.387 449 HE2 PHE 53 HE1 PHE 53 4.736 7.271 -6.101 450 HZ PHE 53 HZ PHE 53 5.246 8.041 -8.413 451 H GLU 54 H GLU 54 8.745 6.097 -2.741 452 HA GLU 54 HA GLU 54 7.824 8.887 -2.825 453 HB2 GLU 54 1HB GLU 54 6.676 6.912 -1.712 454 HB3 GLU 54 2HB GLU 54 7.838 7.003 -0.393 455 HG2 GLU 54 1HG GLU 54 7.075 9.279 0.197 456 HG3 GLU 54 2HG GLU 54 6.076 9.375 -1.282 457 H ALA 55 H ALA 55 10.765 7.585 -1.648 458 HA ALA 55 HA ALA 55 11.703 10.015 -0.145 459 HB1 ALA 55 3HB ALA 55 13.932 8.889 -0.285 460 HB2 ALA 55 1HB ALA 55 12.711 7.829 0.433 461 HB3 ALA 55 2HB ALA 55 13.245 7.572 -1.248 462 H TRP 56 H TRP 56 12.407 8.629 -3.458 463 HA TRP 56 HA TRP 56 13.876 11.056 -4.306 464 HB2 TRP 56 1HB TRP 56 13.835 8.579 -5.340 465 HB3 TRP 56 2HB TRP 56 12.479 9.153 -6.288 466 HD1 TRP 56 HD1 TRP 56 13.359 11.882 -7.608 467 HE1 TRP 56 HE1 TRP 56 15.549 12.290 -9.005 468 HE3 TRP 56 HE3 TRP 56 15.994 7.807 -5.870 469 HZ2 TRP 56 HZ2 TRP 56 18.003 10.889 -9.278 470 HZ3 TRP 56 HZ3 TRP 56 18.262 7.397 -6.784 471 HH2 TRP 56 HH2 TRP 56 19.248 8.903 -8.450 472 H ILE 57 H ILE 57 10.484 10.062 -4.697 473 HA ILE 57 HA ILE 57 9.514 12.653 -5.830 474 HB ILE 57 HB ILE 57 8.229 10.216 -4.516 475 HG12 ILE 57 1HG1 ILE 57 8.992 9.839 -6.765 476 HG13 ILE 57 2HG1 ILE 57 7.265 9.727 -6.601 477 HG21 ILE 57 1HG2 ILE 57 6.473 12.489 -5.483 478 HG22 ILE 57 2HG2 ILE 57 6.059 10.867 -4.814 479 HG23 ILE 57 3HG2 ILE 57 6.774 12.070 -3.785 480 HD11 ILE 57 3HD1 ILE 57 7.034 12.055 -7.692 481 HD12 ILE 57 1HD1 ILE 57 8.798 12.075 -7.913 482 HD13 ILE 57 2HD1 ILE 57 7.813 10.838 -8.715 483 H GLY 58 H GLY 58 10.891 12.230 -2.802 484 HA2 GLY 58 1HA GLY 58 9.648 14.895 -1.964 485 HA3 GLY 58 2HA GLY 58 9.912 13.673 -0.738 486 H THR 59 H THR 59 12.667 13.284 -2.462 487 HA THR 59 HA THR 59 14.385 14.888 -0.774 488 HB THR 59 HB THR 59 14.986 13.832 -3.620 489 HG1 THR 59 HG1 THR 59 14.385 12.507 -1.520 490 HG21 THR 59 3HG2 THR 59 16.831 15.397 -2.844 491 HG22 THR 59 1HG2 THR 59 16.952 14.488 -1.318 492 HG23 THR 59 2HG2 THR 59 17.366 13.706 -2.862 493 H ALA 60 H ALA 60 13.303 15.652 -4.028 494 HA ALA 60 HA ALA 60 13.792 18.633 -3.475 495 HB1 ALA 60 3HB ALA 60 14.464 18.992 -5.867 496 HB2 ALA 60 1HB ALA 60 15.559 17.853 -5.065 497 HB3 ALA 60 2HB ALA 60 14.329 17.247 -6.197 498 H ALA 61 H ALA 61 11.711 16.278 -5.095 499 HA ALA 61 HA ALA 61 9.807 18.198 -6.217 500 HB1 ALA 61 3HB ALA 61 8.304 16.128 -6.370 501 HB2 ALA 61 1HB ALA 61 9.922 15.937 -7.082 502 HB3 ALA 61 2HB ALA 61 9.554 15.226 -5.498 503 H TYR 62 H TYR 62 10.038 17.048 -2.992 504 HA TYR 62 HA TYR 62 7.367 17.444 -1.962 505 HB2 TYR 62 1HB TYR 62 9.370 16.553 -0.636 506 HB3 TYR 62 2HB TYR 62 9.945 18.191 -0.455 507 HD1 TYR 62 HD1 TYR 62 6.730 16.186 0.041 508 HD2 TYR 62 HD2 TYR 62 9.399 19.142 1.687 509 HE1 TYR 62 HE1 TYR 62 5.351 16.312 2.085 510 HE2 TYR 62 HE2 TYR 62 8.003 19.228 3.726 511 HH TYR 62 HH TYR 62 5.049 17.256 4.060 512 H THR 63 H THR 63 9.761 20.057 -2.505 513 HA THR 63 HA THR 63 8.017 22.178 -1.410 514 HB THR 63 HB THR 63 10.438 22.432 -1.571 515 HG1 THR 63 HG1 THR 63 10.125 24.615 -2.691 516 HG21 THR 63 3HG2 THR 63 10.073 23.106 -4.565 517 HG22 THR 63 1HG2 THR 63 11.552 23.279 -3.589 518 HG23 THR 63 2HG2 THR 63 10.925 21.672 -3.968 519 H ALA 64 H ALA 64 8.186 20.740 -4.603 520 HA ALA 64 HA ALA 64 6.213 22.702 -5.828 521 HB1 ALA 64 3HB ALA 64 6.441 21.298 -7.873 522 HB2 ALA 64 1HB ALA 64 8.036 21.774 -7.271 523 HB3 ALA 64 2HB ALA 64 7.449 20.116 -7.000 524 H TRP 65 H TRP 65 6.298 19.320 -4.712 525 HA TRP 65 HA TRP 65 3.485 18.660 -5.133 526 HB2 TRP 65 1HB TRP 65 5.791 17.296 -4.189 527 HB3 TRP 65 2HB TRP 65 4.852 17.433 -2.722 528 HD1 TRP 65 HD1 TRP 65 4.929 15.640 -6.142 529 HE1 TRP 65 HE1 TRP 65 2.977 13.947 -6.476 530 HE3 TRP 65 HE3 TRP 65 2.252 16.976 -1.960 531 HZ2 TRP 65 HZ2 TRP 65 0.468 13.532 -5.120 532 HZ3 TRP 65 HZ3 TRP 65 0.083 15.853 -1.542 533 HH2 TRP 65 HH2 TRP 65 -0.814 14.191 -3.134 534 H LYS 66 H LYS 66 5.036 20.143 -2.290 535 HA LYS 66 HA LYS 66 2.565 20.406 -0.686 536 HB2 LYS 66 1HB LYS 66 5.338 21.754 -0.586 537 HB3 LYS 66 2HB LYS 66 4.088 22.208 0.537 538 HG2 LYS 66 1HG LYS 66 5.043 19.287 0.191 539 HG3 LYS 66 2HG LYS 66 5.815 20.389 1.283 540 HD2 LYS 66 1HD LYS 66 2.816 19.643 1.406 541 HD3 LYS 66 2HD LYS 66 4.063 18.774 2.254 542 HE2 LYS 66 1HE LYS 66 4.719 20.765 3.599 543 HE3 LYS 66 2HE LYS 66 3.580 21.802 2.716 544 HZ1 LYS 66 3HZ LYS 66 1.755 20.212 3.420 545 HZ2 LYS 66 1HZ LYS 66 2.809 19.386 4.344 546 HZ3 LYS 66 2HZ LYS 66 2.440 20.945 4.751 547 H ALA 67 H ALA 67 4.058 22.612 -3.044 548 HA ALA 67 HA ALA 67 1.965 24.714 -2.771 549 HB1 ALA 67 3HB ALA 67 3.827 24.024 -5.141 550 HB2 ALA 67 1HB ALA 67 2.838 25.493 -4.985 551 HB3 ALA 67 2HB ALA 67 4.150 25.190 -3.837 552 H LYS 68 H LYS 68 2.198 21.819 -4.964 553 HA LYS 68 HA LYS 68 -0.472 22.323 -6.142 554 HB2 LYS 68 1HB LYS 68 1.333 19.827 -6.037 555 HB3 LYS 68 2HB LYS 68 -0.151 19.876 -6.973 556 HG2 LYS 68 1HG LYS 68 0.625 21.422 -8.567 557 HG3 LYS 68 2HG LYS 68 1.833 22.140 -7.505 558 HD2 LYS 68 1HD LYS 68 3.223 20.083 -7.549 559 HD3 LYS 68 2HD LYS 68 2.052 19.266 -8.585 560 HE2 LYS 68 1HE LYS 68 2.432 21.146 -10.362 561 HE3 LYS 68 2HE LYS 68 3.657 21.836 -9.293 562 HZ1 LYS 68 3HZ LYS 68 4.846 20.344 -10.794 563 HZ2 LYS 68 1HZ LYS 68 4.758 19.487 -9.392 564 HZ3 LYS 68 2HZ LYS 68 3.759 19.132 -10.649 565 H HIS 69 H HIS 69 0.411 20.307 -3.325 566 HA HIS 69 HA HIS 69 -2.553 20.001 -2.684 567 HB2 HIS 69 1HB HIS 69 -0.607 17.778 -3.466 568 HB3 HIS 69 2HB HIS 69 -1.449 17.456 -1.985 569 HD1 HIS 69 HD1 HIS 69 -3.414 15.936 -2.371 570 HD2 HIS 69 HD2 HIS 69 -2.640 18.530 -5.682 571 HE1 HIS 69 HE1 HIS 69 -5.133 15.517 -4.145 572 HE2 HIS 69 HE2 HIS 69 -4.742 17.002 -6.264 573 HA PRO 70 HA PRO 70 -1.293 21.330 1.158 574 HB2 PRO 70 1HB PRO 70 -3.169 20.460 3.033 575 HB3 PRO 70 2HB PRO 70 -3.515 21.520 1.654 576 HG2 PRO 70 1HG PRO 70 -3.819 18.437 1.691 577 HG3 PRO 70 2HG PRO 70 -5.079 19.647 1.299 578 HD2 PRO 70 1HD PRO 70 -3.634 18.491 -0.728 579 HD3 PRO 70 2HD PRO 70 -3.959 20.255 -0.794 580 H ASP 71 H ASP 71 -2.034 18.354 3.029 581 HA ASP 71 HA ASP 71 0.812 17.476 2.481 582 HB2 ASP 71 1HB ASP 71 0.539 18.672 4.848 583 HB3 ASP 71 2HB ASP 71 -0.277 17.212 5.350 584 H GLU 72 H GLU 72 -0.954 16.570 1.004 585 HA GLU 72 HA GLU 72 -2.217 14.085 1.941 586 HB2 GLU 72 1HB GLU 72 -2.669 15.477 -0.329 587 HB3 GLU 72 2HB GLU 72 -1.511 14.364 -1.011 588 HG2 GLU 72 1HG GLU 72 -3.066 12.489 0.250 589 HG3 GLU 72 2HG GLU 72 -4.251 13.759 0.220 590 H LYS 73 H LYS 73 0.831 14.574 0.283 591 HA LYS 73 HA LYS 73 1.678 11.686 0.135 592 HB2 LYS 73 1HB LYS 73 2.128 13.144 -1.667 593 HB3 LYS 73 2HB LYS 73 2.827 14.407 -0.676 594 HG2 LYS 73 1HG LYS 73 4.195 11.664 -0.870 595 HG3 LYS 73 2HG LYS 73 4.281 12.824 -2.191 596 HD2 LYS 73 1HD LYS 73 5.087 14.647 -0.603 597 HD3 LYS 73 2HD LYS 73 5.181 13.495 0.700 598 HE2 LYS 73 1HE LYS 73 6.771 13.298 -1.959 599 HE3 LYS 73 2HE LYS 73 7.379 14.026 -0.479 600 HZ1 LYS 73 3HZ LYS 73 6.461 11.174 -0.656 601 HZ2 LYS 73 1HZ LYS 73 8.045 11.580 -0.569 602 HZ3 LYS 73 2HZ LYS 73 6.969 11.862 0.704 603 H PHE 74 H PHE 74 3.358 10.753 1.362 604 HA PHE 74 HA PHE 74 3.484 11.769 4.172 605 HB2 PHE 74 1HB PHE 74 3.230 9.273 3.402 606 HB3 PHE 74 2HB PHE 74 4.925 9.293 3.016 607 HD1 PHE 74 HD1 PHE 74 2.396 9.512 5.753 608 HD2 PHE 74 HD2 PHE 74 6.619 9.330 4.909 609 HE1 PHE 74 HE1 PHE 74 2.855 9.026 8.120 610 HE2 PHE 74 HE2 PHE 74 7.060 8.831 7.283 611 HZ PHE 74 HZ PHE 74 5.183 8.689 8.894 612 HA PRO 75 HA PRO 75 7.439 13.909 3.212 613 HB2 PRO 75 1HB PRO 75 8.159 14.863 5.709 614 HB3 PRO 75 2HB PRO 75 6.757 15.435 4.785 615 HG2 PRO 75 1HG PRO 75 6.738 13.312 7.014 616 HG3 PRO 75 2HG PRO 75 5.723 14.778 6.900 617 HD2 PRO 75 1HD PRO 75 4.812 12.316 6.039 618 HD3 PRO 75 2HD PRO 75 4.354 13.804 5.147 619 H ALA 76 H ALA 76 7.990 11.612 2.755 620 HA ALA 76 HA ALA 76 10.148 10.390 4.332 621 HB1 ALA 76 3HB ALA 76 9.236 9.774 1.441 622 HB2 ALA 76 1HB ALA 76 10.182 8.711 2.497 623 HB3 ALA 76 2HB ALA 76 8.505 9.109 2.928 624 H PHE 77 H PHE 77 12.216 10.586 4.234 625 HA PHE 77 HA PHE 77 13.612 12.286 2.126 626 HB2 PHE 77 1HB PHE 77 15.260 12.794 3.768 627 HB3 PHE 77 2HB PHE 77 13.743 12.930 4.570 628 HD1 PHE 77 HD2 PHE 77 13.086 11.203 6.350 629 HD2 PHE 77 HD1 PHE 77 16.909 11.005 4.366 630 HE1 PHE 77 HE2 PHE 77 13.903 9.612 8.049 631 HE2 PHE 77 HE1 PHE 77 17.714 9.444 6.076 632 HZ PHE 77 HZ PHE 77 16.216 8.734 7.924 633 HA PRO 78 HA PRO 78 15.831 8.541 0.660 634 HB2 PRO 78 1HB PRO 78 18.131 9.508 -0.448 635 HB3 PRO 78 2HB PRO 78 16.519 9.986 -1.026 636 HG2 PRO 78 1HG PRO 78 18.319 11.545 0.923 637 HG3 PRO 78 2HG PRO 78 17.553 12.157 -0.569 638 HD2 PRO 78 1HD PRO 78 16.448 12.439 1.990 639 HD3 PRO 78 2HD PRO 78 15.416 12.359 0.531 640 H GLY 79 H GLY 79 16.019 7.401 2.494 641 HA2 GLY 79 1HA GLY 79 18.781 7.261 3.865 642 HA3 GLY 79 2HA GLY 79 17.270 7.270 4.785 Start of MODEL 14 1 H1 PHE 1 1H PHE 1 -12.349 8.602 -3.539 2 H2 PHE 1 2H PHE 1 -11.589 8.971 -4.940 3 HA PHE 1 HA PHE 1 -12.238 10.944 -3.797 4 HB2 PHE 1 1HB PHE 1 -11.412 9.427 -1.463 5 HB3 PHE 1 2HB PHE 1 -10.234 10.689 -1.555 6 HD1 PHE 1 HD1 PHE 1 -10.946 13.126 -1.322 7 HD2 PHE 1 HD2 PHE 1 -13.803 9.914 -0.998 8 HE1 PHE 1 HE1 PHE 1 -12.568 14.659 -0.279 9 HE2 PHE 1 HE2 PHE 1 -15.406 11.457 0.051 10 HZ PHE 1 HZ PHE 1 -14.800 13.831 0.407 11 H ASN 2 H ASN 2 -11.116 12.813 -4.289 12 HA ASN 2 HA ASN 2 -8.506 12.502 -5.709 13 HB2 ASN 2 1HB ASN 2 -10.329 14.120 -6.473 14 HB3 ASN 2 2HB ASN 2 -9.944 15.156 -5.108 15 HD21 ASN 2 1HD2 ASN 2 -8.773 13.921 -8.186 16 HD22 ASN 2 2HD2 ASN 2 -7.367 15.106 -8.274 17 H VAL 3 H VAL 3 -9.426 14.157 -2.648 18 HA VAL 3 HA VAL 3 -6.446 14.168 -1.933 19 HB VAL 3 HB VAL 3 -7.520 16.380 -2.017 20 HG11 VAL 3 1HG1 VAL 3 -9.761 15.946 -0.923 21 HG12 VAL 3 2HG1 VAL 3 -8.949 15.671 0.629 22 HG13 VAL 3 3HG1 VAL 3 -8.852 17.261 -0.156 23 HG21 VAL 3 3HG2 VAL 3 -6.255 15.565 0.676 24 HG22 VAL 3 1HG2 VAL 3 -5.398 15.970 -0.834 25 HG23 VAL 3 2HG2 VAL 3 -6.345 17.211 0.010 26 H LYS 4 H LYS 4 -5.907 12.404 -0.894 27 HA LYS 4 HA LYS 4 -7.445 11.631 1.608 28 HB2 LYS 4 1HB LYS 4 -8.389 10.285 -0.336 29 HB3 LYS 4 2HB LYS 4 -6.815 9.529 -0.570 30 HG2 LYS 4 1HG LYS 4 -6.941 8.586 1.803 31 HG3 LYS 4 2HG LYS 4 -8.493 9.404 2.034 32 HD2 LYS 4 1HD LYS 4 -9.450 8.066 0.048 33 HD3 LYS 4 2HD LYS 4 -7.887 7.291 -0.141 34 HE2 LYS 4 1HE LYS 4 -9.176 5.689 1.037 35 HE3 LYS 4 2HE LYS 4 -8.060 6.340 2.235 36 HZ1 LYS 4 3HZ LYS 4 -10.366 6.276 3.164 37 HZ2 LYS 4 1HZ LYS 4 -9.943 7.855 3.003 38 HZ3 LYS 4 2HZ LYS 4 -10.964 7.172 1.922 39 H GLN 5 H GLN 5 -6.025 11.481 3.183 40 HA GLN 5 HA GLN 5 -3.132 11.211 2.825 41 HB2 GLN 5 1HB GLN 5 -4.972 11.718 5.095 42 HB3 GLN 5 2HB GLN 5 -3.831 10.510 5.584 43 HG2 GLN 5 1HG GLN 5 -3.092 13.239 4.346 44 HG3 GLN 5 2HG GLN 5 -3.172 12.887 6.059 45 HE21 GLN 5 1HE2 GLN 5 -0.908 13.849 4.579 46 HE22 GLN 5 2HE2 GLN 5 0.396 12.586 4.801 47 H LYS 6 H LYS 6 -1.923 9.569 4.290 48 HA LYS 6 HA LYS 6 -2.109 7.305 2.334 49 HB2 LYS 6 1HB LYS 6 0.166 8.008 4.289 50 HB3 LYS 6 2HB LYS 6 0.291 6.893 2.953 51 HG2 LYS 6 1HG LYS 6 0.062 9.941 2.876 52 HG3 LYS 6 2HG LYS 6 1.423 8.906 2.503 53 HD2 LYS 6 1HD LYS 6 0.836 9.740 0.546 54 HD3 LYS 6 2HD LYS 6 0.330 8.099 0.428 55 HE2 LYS 6 1HE LYS 6 -2.050 8.663 0.455 56 HE3 LYS 6 2HE LYS 6 -1.773 10.237 1.146 57 HZ1 LYS 6 3HZ LYS 6 -0.894 11.083 -0.857 58 HZ2 LYS 6 1HZ LYS 6 -0.400 9.642 -1.441 59 HZ3 LYS 6 2HZ LYS 6 -2.009 10.104 -1.490 60 H SER 7 H SER 7 -1.739 5.151 2.779 61 HA SER 7 HA SER 7 -2.350 4.151 5.619 62 HB2 SER 7 1HB SER 7 -3.500 2.997 2.987 63 HB3 SER 7 2HB SER 7 -3.556 2.192 4.563 64 HG SER 7 HG SER 7 -5.451 3.344 4.264 65 H GLU 8 H GLU 8 -0.464 3.248 6.221 66 HA GLU 8 HA GLU 8 1.049 1.363 4.289 67 HB2 GLU 8 1HB GLU 8 2.128 2.985 6.691 68 HB3 GLU 8 2HB GLU 8 3.004 1.680 5.911 69 HG2 GLU 8 1HG GLU 8 3.034 2.946 3.722 70 HG3 GLU 8 2HG GLU 8 2.128 4.265 4.456 71 H ILE 9 H ILE 9 -0.010 -0.531 4.709 72 HA ILE 9 HA ILE 9 -0.321 -1.399 7.655 73 HB ILE 9 HB ILE 9 -2.130 -2.051 5.282 74 HG12 ILE 9 1HG1 ILE 9 -2.653 0.116 6.226 75 HG13 ILE 9 2HG1 ILE 9 -3.933 -1.045 6.483 76 HG21 ILE 9 1HG2 ILE 9 -2.231 -3.363 8.051 77 HG22 ILE 9 2HG2 ILE 9 -3.536 -3.419 6.835 78 HG23 ILE 9 3HG2 ILE 9 -1.965 -4.150 6.480 79 HD11 ILE 9 3HD1 ILE 9 -3.208 -1.294 8.931 80 HD12 ILE 9 1HD1 ILE 9 -1.948 -0.067 8.651 81 HD13 ILE 9 2HD1 ILE 9 -3.662 0.363 8.487 82 H THR 10 H THR 10 0.451 -3.208 8.278 83 HA THR 10 HA THR 10 2.579 -4.541 6.911 84 HB THR 10 HB THR 10 0.975 -5.219 9.465 85 HG1 THR 10 HG1 THR 10 2.893 -4.172 10.375 86 HG21 THR 10 3HG2 THR 10 3.059 -6.245 10.384 87 HG22 THR 10 1HG2 THR 10 2.489 -7.182 9.004 88 HG23 THR 10 2HG2 THR 10 3.875 -6.078 8.813 89 H ALA 11 H ALA 11 2.892 -6.771 6.474 90 HA ALA 11 HA ALA 11 0.974 -7.848 4.685 91 HB1 ALA 11 3HB ALA 11 2.580 -9.851 4.569 92 HB2 ALA 11 1HB ALA 11 3.360 -8.272 4.410 93 HB3 ALA 11 2HB ALA 11 3.463 -9.176 5.953 94 H LEU 12 H LEU 12 -0.204 -9.691 4.558 95 HA LEU 12 HA LEU 12 -1.189 -10.915 7.177 96 HB2 LEU 12 1HB LEU 12 -2.637 -8.935 6.128 97 HB3 LEU 12 2HB LEU 12 -3.033 -10.082 4.850 98 HG LEU 12 HG LEU 12 -3.979 -11.655 6.713 99 HD11 LEU 12 1HD1 LEU 12 -3.671 -9.073 8.426 100 HD12 LEU 12 2HD1 LEU 12 -4.571 -10.533 8.894 101 HD13 LEU 12 3HD1 LEU 12 -2.813 -10.596 8.723 102 HD21 LEU 12 3HD2 LEU 12 -6.091 -10.323 6.901 103 HD22 LEU 12 1HD2 LEU 12 -5.257 -8.856 6.342 104 HD23 LEU 12 2HD2 LEU 12 -5.449 -10.256 5.254 105 H VAL 13 H VAL 13 -1.925 -12.992 7.016 106 HA VAL 13 HA VAL 13 -0.746 -14.751 5.045 107 HB VAL 13 HB VAL 13 -2.136 -16.574 6.077 108 HG11 VAL 13 1HG1 VAL 13 -0.584 -14.879 8.127 109 HG12 VAL 13 2HG1 VAL 13 -0.957 -16.612 8.242 110 HG13 VAL 13 3HG1 VAL 13 0.127 -16.023 6.966 111 HG21 VAL 13 3HG2 VAL 13 -3.203 -14.472 8.081 112 HG22 VAL 13 1HG2 VAL 13 -4.179 -15.250 6.825 113 HG23 VAL 13 2HG2 VAL 13 -3.461 -16.226 8.125 114 H LYS 14 H LYS 14 -1.489 -15.851 3.319 115 HA LYS 14 HA LYS 14 -3.170 -14.179 1.730 116 HB2 LYS 14 1HB LYS 14 -1.130 -15.832 1.108 117 HB3 LYS 14 2HB LYS 14 -2.392 -16.985 0.764 118 HG2 LYS 14 1HG LYS 14 -3.373 -14.770 -0.630 119 HG3 LYS 14 2HG LYS 14 -1.730 -14.292 -0.550 120 HD2 LYS 14 1HD LYS 14 -1.825 -15.355 -2.615 121 HD3 LYS 14 2HD LYS 14 -1.101 -16.595 -1.619 122 HE2 LYS 14 1HE LYS 14 -2.751 -17.679 -3.011 123 HE3 LYS 14 2HE LYS 14 -3.378 -17.724 -1.364 124 HZ1 LYS 14 3HZ LYS 14 -4.504 -16.233 -3.671 125 HZ2 LYS 14 1HZ LYS 14 -5.266 -16.809 -2.291 126 HZ3 LYS 14 2HZ LYS 14 -4.531 -15.355 -2.295 127 H GLU 15 H GLU 15 -5.072 -14.405 0.602 128 HA GLU 15 HA GLU 15 -7.290 -15.798 1.834 129 HB2 GLU 15 1HB GLU 15 -8.676 -14.874 0.119 130 HB3 GLU 15 2HB GLU 15 -7.623 -13.689 0.848 131 HG2 GLU 15 1HG GLU 15 -7.265 -14.880 -1.986 132 HG3 GLU 15 2HG GLU 15 -7.996 -13.345 -1.585 133 H VAL 16 H VAL 16 -7.991 -17.769 1.611 134 HA VAL 16 HA VAL 16 -7.497 -19.501 -0.809 135 HB VAL 16 HB VAL 16 -6.400 -20.317 1.982 136 HG11 VAL 16 1HG1 VAL 16 -5.521 -22.375 0.813 137 HG12 VAL 16 2HG1 VAL 16 -7.277 -22.324 0.855 138 HG13 VAL 16 3HG1 VAL 16 -6.421 -21.935 -0.663 139 HG21 VAL 16 3HG2 VAL 16 -4.757 -18.786 0.819 140 HG22 VAL 16 1HG2 VAL 16 -4.146 -20.439 0.910 141 HG23 VAL 16 2HG2 VAL 16 -4.801 -19.816 -0.632 142 H THR 17 H THR 17 -9.250 -20.815 -1.080 143 HA THR 17 HA THR 17 -11.549 -20.596 0.764 144 HB THR 17 HB THR 17 -11.311 -22.336 -1.762 145 HG1 THR 17 HG1 THR 17 -12.555 -19.841 -1.576 146 HG21 THR 17 3HG2 THR 17 -13.803 -21.177 -0.334 147 HG22 THR 17 1HG2 THR 17 -13.778 -22.043 -1.887 148 HG23 THR 17 2HG2 THR 17 -13.362 -22.893 -0.393 149 HA PRO 18 HA PRO 18 -10.902 -25.164 2.152 150 HB2 PRO 18 1HB PRO 18 -8.647 -26.649 1.463 151 HB3 PRO 18 2HB PRO 18 -10.091 -26.532 0.435 152 HG2 PRO 18 1HG PRO 18 -7.519 -24.850 0.225 153 HG3 PRO 18 2HG PRO 18 -8.304 -25.782 -1.081 154 HD2 PRO 18 1HD PRO 18 -8.745 -23.082 -0.757 155 HD3 PRO 18 2HD PRO 18 -10.067 -24.125 -1.305 156 HA PRO 19 HA PRO 19 -8.507 -23.699 5.609 157 HB2 PRO 19 1HB PRO 19 -8.326 -25.827 7.373 158 HB3 PRO 19 2HB PRO 19 -9.859 -25.091 6.858 159 HG2 PRO 19 1HG PRO 19 -8.508 -27.580 5.627 160 HG3 PRO 19 2HG PRO 19 -10.166 -27.478 6.283 161 HD2 PRO 19 1HD PRO 19 -9.728 -27.151 3.589 162 HD3 PRO 19 2HD PRO 19 -10.916 -26.097 4.420 163 H ARG 20 H ARG 20 -6.731 -23.442 4.021 164 HA ARG 20 HA ARG 20 -4.103 -24.370 5.268 165 HB2 ARG 20 1HB ARG 20 -4.990 -25.873 3.282 166 HB3 ARG 20 2HB ARG 20 -4.639 -24.522 2.218 167 HG2 ARG 20 1HG ARG 20 -2.164 -24.647 3.011 168 HG3 ARG 20 2HG ARG 20 -2.627 -25.959 4.091 169 HD2 ARG 20 1HD ARG 20 -1.787 -27.185 2.280 170 HD3 ARG 20 2HD ARG 20 -3.495 -27.257 1.994 171 HE ARG 20 HE ARG 20 -3.322 -25.682 0.114 172 HH11 ARG 20 2HH2 ARG 20 -0.203 -26.270 1.536 173 HH12 ARG 20 1HH2 ARG 20 0.669 -25.667 0.047 174 HH21 ARG 20 2HH1 ARG 20 -2.306 -25.006 -1.551 175 HH22 ARG 20 1HH1 ARG 20 -0.489 -24.977 -1.598 176 H LYS 21 H LYS 21 -2.512 -22.805 5.210 177 HA LYS 21 HA LYS 21 -3.223 -20.131 3.861 178 HB2 LYS 21 1HB LYS 21 -2.036 -20.704 6.642 179 HB3 LYS 21 2HB LYS 21 -1.957 -19.117 5.908 180 HG2 LYS 21 1HG LYS 21 -4.597 -20.642 6.414 181 HG3 LYS 21 2HG LYS 21 -3.886 -19.502 7.528 182 HD2 LYS 21 1HD LYS 21 -4.647 -17.676 6.446 183 HD3 LYS 21 2HD LYS 21 -4.024 -18.175 4.890 184 HE2 LYS 21 1HE LYS 21 -6.052 -19.697 4.550 185 HE3 LYS 21 2HE LYS 21 -6.708 -19.157 6.103 186 HZ1 LYS 21 3HZ LYS 21 -6.008 -17.324 3.789 187 HZ2 LYS 21 1HZ LYS 21 -7.562 -17.731 4.230 188 HZ3 LYS 21 2HZ LYS 21 -6.625 -16.800 5.216 189 H ALA 22 H ALA 22 -1.849 -19.331 2.520 190 HA ALA 22 HA ALA 22 1.035 -20.275 2.392 191 HB1 ALA 22 3HB ALA 22 -0.287 -20.297 0.293 192 HB2 ALA 22 1HB ALA 22 -0.594 -18.547 0.419 193 HB3 ALA 22 2HB ALA 22 1.058 -19.148 0.170 194 HA PRO 23 HA PRO 23 2.163 -16.267 4.373 195 HB2 PRO 23 1HB PRO 23 4.887 -16.505 4.524 196 HB3 PRO 23 2HB PRO 23 3.783 -17.615 5.368 197 HG2 PRO 23 1HG PRO 23 5.123 -18.083 2.621 198 HG3 PRO 23 2HG PRO 23 5.207 -19.153 4.049 199 HD2 PRO 23 1HD PRO 23 3.327 -19.552 2.045 200 HD3 PRO 23 2HD PRO 23 2.924 -19.880 3.763 201 H SER 24 H SER 24 1.214 -15.298 2.420 202 HA SER 24 HA SER 24 2.831 -14.390 0.181 203 HB2 SER 24 1HB SER 24 0.458 -14.727 0.012 204 HB3 SER 24 2HB SER 24 0.085 -13.395 1.133 205 HG SER 24 HG SER 24 1.131 -11.994 -0.399 206 H LYS 25 H LYS 25 3.883 -12.573 -0.233 207 HA LYS 25 HA LYS 25 4.526 -10.633 1.992 208 HB2 LYS 25 1HB LYS 25 5.691 -10.973 -0.838 209 HB3 LYS 25 2HB LYS 25 6.023 -9.567 0.135 210 HG2 LYS 25 1HG LYS 25 7.840 -10.904 0.621 211 HG3 LYS 25 2HG LYS 25 6.834 -11.028 2.047 212 HD2 LYS 25 1HD LYS 25 5.983 -13.266 0.467 213 HD3 LYS 25 2HD LYS 25 7.646 -13.126 0.007 214 HE2 LYS 25 1HE LYS 25 6.576 -13.358 2.922 215 HE3 LYS 25 2HE LYS 25 7.067 -14.720 1.932 216 HZ1 LYS 25 3HZ LYS 25 9.373 -13.774 1.821 217 HZ2 LYS 25 1HZ LYS 25 8.941 -12.477 2.722 218 HZ3 LYS 25 2HZ LYS 25 8.946 -13.978 3.394 219 H ALA 26 H ALA 26 2.715 -9.590 2.351 220 HA ALA 26 HA ALA 26 1.239 -8.114 0.171 221 HB1 ALA 26 3HB ALA 26 -0.610 -8.111 1.890 222 HB2 ALA 26 1HB ALA 26 -0.013 -9.739 1.512 223 HB3 ALA 26 2HB ALA 26 0.476 -8.969 3.006 224 H LYS 27 H LYS 27 1.673 -6.051 -0.130 225 HA LYS 27 HA LYS 27 2.075 -4.242 2.334 226 HB2 LYS 27 1HB LYS 27 3.704 -4.193 -0.276 227 HB3 LYS 27 2HB LYS 27 3.486 -2.760 0.691 228 HG2 LYS 27 1HG LYS 27 5.331 -3.387 1.754 229 HG3 LYS 27 2HG LYS 27 4.233 -4.280 2.771 230 HD2 LYS 27 1HD LYS 27 4.700 -6.269 0.945 231 HD3 LYS 27 2HD LYS 27 6.090 -5.285 0.534 232 HE2 LYS 27 1HE LYS 27 5.383 -6.528 3.284 233 HE3 LYS 27 2HE LYS 27 6.638 -7.090 2.179 234 HZ1 LYS 27 3HZ LYS 27 7.822 -4.882 2.537 235 HZ2 LYS 27 1HZ LYS 27 6.667 -4.408 3.580 236 HZ3 LYS 27 2HZ LYS 27 7.642 -5.669 3.977 237 H ARG 28 H ARG 28 0.581 -2.871 2.596 238 HA ARG 28 HA ARG 28 -1.216 -1.946 0.276 239 HB2 ARG 28 1HB ARG 28 -1.721 -2.198 3.300 240 HB3 ARG 28 2HB ARG 28 -2.851 -1.442 2.188 241 HG2 ARG 28 1HG ARG 28 -3.265 -3.538 1.025 242 HG3 ARG 28 2HG ARG 28 -1.991 -4.396 1.868 243 HD2 ARG 28 1HD ARG 28 -3.213 -4.244 4.047 244 HD3 ARG 28 2HD ARG 28 -4.391 -3.156 3.357 245 HE ARG 28 HE ARG 28 -5.463 -4.941 2.106 246 HH11 ARG 28 2HH2 ARG 28 -2.663 -6.230 3.746 247 HH12 ARG 28 1HH2 ARG 28 -3.267 -7.941 3.505 248 HH21 ARG 28 2HH1 ARG 28 -6.072 -6.904 1.858 249 HH22 ARG 28 1HH1 ARG 28 -5.081 -8.272 2.514 250 H GLU 29 H GLU 29 -0.249 -0.055 -0.295 251 HA GLU 29 HA GLU 29 0.932 1.834 1.777 252 HB2 GLU 29 1HB GLU 29 2.736 0.469 -0.302 253 HB3 GLU 29 2HB GLU 29 3.118 2.000 0.489 254 HG2 GLU 29 1HG GLU 29 2.918 0.885 2.771 255 HG3 GLU 29 2HG GLU 29 2.654 -0.664 1.988 256 H ALA 30 H ALA 30 0.037 3.680 1.249 257 HA ALA 30 HA ALA 30 -0.691 4.482 -1.538 258 HB1 ALA 30 3HB ALA 30 -0.787 5.885 1.191 259 HB2 ALA 30 1HB ALA 30 -1.435 6.594 -0.269 260 HB3 ALA 30 2HB ALA 30 -2.143 5.084 0.347 261 HA PRO 31 HA PRO 31 3.050 7.261 -1.891 262 HB2 PRO 31 1HB PRO 31 3.615 6.992 -4.492 263 HB3 PRO 31 2HB PRO 31 3.783 5.633 -3.374 264 HG2 PRO 31 1HG PRO 31 1.389 6.179 -5.253 265 HG3 PRO 31 2HG PRO 31 2.316 4.672 -5.129 266 HD2 PRO 31 1HD PRO 31 -0.078 5.207 -3.720 267 HD3 PRO 31 2HD PRO 31 1.164 4.060 -3.136 268 H ILE 32 H ILE 32 1.776 8.118 -4.963 269 HA ILE 32 HA ILE 32 0.908 10.816 -3.813 270 HB ILE 32 HB ILE 32 1.936 11.862 -5.908 271 HG12 ILE 32 1HG1 ILE 32 3.428 9.194 -6.201 272 HG13 ILE 32 2HG1 ILE 32 2.244 9.840 -7.316 273 HG21 ILE 32 1HG2 ILE 32 2.850 12.010 -3.594 274 HG22 ILE 32 2HG2 ILE 32 3.948 10.641 -3.927 275 HG23 ILE 32 3HG2 ILE 32 4.066 12.166 -4.838 276 HD11 ILE 32 3HD1 ILE 32 4.480 10.310 -8.213 277 HD12 ILE 32 1HD1 ILE 32 3.863 11.895 -7.660 278 HD13 ILE 32 2HD1 ILE 32 5.035 10.969 -6.723 279 H LYS 33 H LYS 33 -0.705 11.915 -4.783 280 HA LYS 33 HA LYS 33 -2.444 10.543 -6.790 281 HB2 LYS 33 1HB LYS 33 -3.116 12.219 -4.774 282 HB3 LYS 33 2HB LYS 33 -2.724 13.485 -5.883 283 HG2 LYS 33 1HG LYS 33 -5.102 13.150 -5.987 284 HG3 LYS 33 2HG LYS 33 -4.434 12.644 -7.517 285 HD2 LYS 33 1HD LYS 33 -6.015 11.033 -7.101 286 HD3 LYS 33 2HD LYS 33 -4.537 10.199 -6.764 287 HE2 LYS 33 1HE LYS 33 -6.768 11.077 -4.899 288 HE3 LYS 33 2HE LYS 33 -6.152 9.484 -5.192 289 HZ1 LYS 33 3HZ LYS 33 -4.064 10.182 -3.864 290 HZ2 LYS 33 1HZ LYS 33 -4.754 11.639 -3.520 291 HZ3 LYS 33 2HZ LYS 33 -5.458 10.288 -2.969 292 H TYR 34 H TYR 34 -0.021 12.968 -7.049 293 HA TYR 34 HA TYR 34 -0.836 14.147 -9.636 294 HB2 TYR 34 1HB TYR 34 0.787 15.090 -7.823 295 HB3 TYR 34 2HB TYR 34 2.014 14.006 -8.443 296 HD1 TYR 34 HD1 TYR 34 -0.307 16.831 -9.407 297 HD2 TYR 34 HD2 TYR 34 3.342 14.748 -10.359 298 HE1 TYR 34 HE1 TYR 34 0.293 18.600 -11.010 299 HE2 TYR 34 HE2 TYR 34 3.940 16.518 -11.937 300 HH TYR 34 HH TYR 34 3.115 18.314 -13.083 301 H TRP 35 H TRP 35 1.108 11.319 -8.940 302 HA TRP 35 HA TRP 35 1.564 10.816 -11.927 303 HB2 TRP 35 1HB TRP 35 3.447 10.708 -10.134 304 HB3 TRP 35 2HB TRP 35 2.757 9.173 -9.611 305 HD1 TRP 35 HD1 TRP 35 4.290 10.967 -12.791 306 HE1 TRP 35 HE1 TRP 35 5.864 9.339 -14.125 307 HE3 TRP 35 HE3 TRP 35 3.256 6.725 -10.077 308 HZ2 TRP 35 HZ2 TRP 35 6.498 6.584 -13.892 309 HZ3 TRP 35 HZ3 TRP 35 4.450 4.635 -10.653 310 HH2 TRP 35 HH2 TRP 35 6.042 4.562 -12.520 311 H LEU 36 H LEU 36 -0.152 9.229 -9.113 312 HA LEU 36 HA LEU 36 -1.568 7.531 -11.174 313 HB2 LEU 36 1HB LEU 36 -1.864 5.752 -9.564 314 HB3 LEU 36 2HB LEU 36 -0.264 5.948 -10.240 315 HG LEU 36 HG LEU 36 -0.813 7.148 -7.478 316 HD11 LEU 36 1HD1 LEU 36 -0.216 4.158 -8.001 317 HD12 LEU 36 2HD1 LEU 36 -0.253 4.961 -6.411 318 HD13 LEU 36 3HD1 LEU 36 -1.737 4.823 -7.364 319 HD21 LEU 36 3HD2 LEU 36 1.591 6.953 -7.250 320 HD22 LEU 36 1HD2 LEU 36 1.712 5.665 -8.480 321 HD23 LEU 36 2HD2 LEU 36 1.392 7.333 -8.966 322 HA PRO 37 HA PRO 37 -5.087 9.716 -9.327 323 HB2 PRO 37 1HB PRO 37 -7.259 8.449 -10.540 324 HB3 PRO 37 2HB PRO 37 -6.121 9.538 -11.358 325 HG2 PRO 37 1HG PRO 37 -5.982 6.461 -11.276 326 HG3 PRO 37 2HG PRO 37 -5.964 7.501 -12.723 327 HD2 PRO 37 1HD PRO 37 -3.612 6.584 -11.633 328 HD3 PRO 37 2HD PRO 37 -3.694 8.263 -12.255 329 H HIS 38 H HIS 38 -4.665 6.394 -8.520 330 HA HIS 38 HA HIS 38 -6.429 6.858 -6.022 331 HB2 HIS 38 1HB HIS 38 -7.317 5.176 -7.743 332 HB3 HIS 38 2HB HIS 38 -5.893 4.188 -7.490 333 HD1 HIS 38 HD1 HIS 38 -5.631 3.005 -4.981 334 HD2 HIS 38 HD2 HIS 38 -9.320 5.056 -5.798 335 HE1 HIS 38 HE1 HIS 38 -7.412 2.308 -3.263 336 HE2 HIS 38 HE2 HIS 38 -9.686 3.480 -3.679 337 H SER 39 H SER 39 -4.839 7.544 -4.646 338 HA SER 39 HA SER 39 -2.243 6.098 -4.328 339 HB2 SER 39 1HB SER 39 -3.305 8.125 -2.279 340 HB3 SER 39 2HB SER 39 -1.653 7.645 -2.652 341 HG SER 39 HG SER 39 -1.956 8.638 -4.758 342 H GLY 40 H GLY 40 -2.410 4.083 -3.535 343 HA2 GLY 40 1HA GLY 40 -2.555 2.955 -1.113 344 HA3 GLY 40 2HA GLY 40 -4.235 3.450 -1.137 345 H ALA 41 H ALA 41 -1.898 1.362 -2.517 346 HA ALA 41 HA ALA 41 -4.100 -0.378 -3.790 347 HB1 ALA 41 3HB ALA 41 -2.766 0.770 -5.539 348 HB2 ALA 41 1HB ALA 41 -1.246 0.105 -4.892 349 HB3 ALA 41 2HB ALA 41 -2.470 -0.976 -5.588 350 H THR 42 H THR 42 -4.110 -2.463 -3.292 351 HA THR 42 HA THR 42 -2.155 -3.554 -1.250 352 HB THR 42 HB THR 42 -4.484 -3.678 -0.728 353 HG1 THR 42 HG1 THR 42 -3.628 -6.289 -1.286 354 HG21 THR 42 3HG2 THR 42 -6.055 -5.304 -1.700 355 HG22 THR 42 1HG2 THR 42 -5.651 -4.103 -2.931 356 HG23 THR 42 2HG2 THR 42 -4.933 -5.719 -3.009 357 H TRP 43 H TRP 43 -0.339 -4.415 -2.072 358 HA TRP 43 HA TRP 43 -0.576 -6.253 -4.532 359 HB2 TRP 43 1HB TRP 43 1.058 -4.273 -4.632 360 HB3 TRP 43 2HB TRP 43 2.074 -5.150 -3.482 361 HD1 TRP 43 HD1 TRP 43 1.698 -8.263 -4.885 362 HE1 TRP 43 HE1 TRP 43 2.723 -8.842 -7.216 363 HE3 TRP 43 HE3 TRP 43 2.331 -3.431 -6.519 364 HZ2 TRP 43 HZ2 TRP 43 3.945 -7.305 -9.259 365 HZ3 TRP 43 HZ3 TRP 43 3.549 -3.068 -8.666 366 HH2 TRP 43 HH2 TRP 43 4.367 -4.982 -9.986 367 H SER 44 H SER 44 -1.160 -8.142 -3.617 368 HA SER 44 HA SER 44 0.477 -9.383 -1.355 369 HB2 SER 44 1HB SER 44 -1.275 -11.030 -1.169 370 HB3 SER 44 2HB SER 44 -2.005 -9.425 -1.171 371 HG SER 44 HG SER 44 -1.706 -11.025 -3.515 372 H GLY 45 H GLY 45 2.412 -9.924 -2.373 373 HA2 GLY 45 1HA GLY 45 2.810 -12.525 -3.379 374 HA3 GLY 45 2HA GLY 45 2.414 -11.682 -4.865 375 H ARG 46 H ARG 46 3.735 -9.758 -5.323 376 HA ARG 46 HA ARG 46 6.687 -10.258 -4.832 377 HB2 ARG 46 1HB ARG 46 6.169 -9.936 -7.087 378 HB3 ARG 46 2HB ARG 46 5.136 -8.558 -6.848 379 HG2 ARG 46 1HG ARG 46 8.135 -8.353 -6.203 380 HG3 ARG 46 2HG ARG 46 7.554 -8.281 -7.860 381 HD2 ARG 46 1HD ARG 46 6.231 -6.328 -7.542 382 HD3 ARG 46 2HD ARG 46 6.308 -6.382 -5.779 383 HE ARG 46 HE ARG 46 9.004 -6.142 -6.305 384 HH11 ARG 46 2HH2 ARG 46 6.347 -4.335 -7.638 385 HH12 ARG 46 1HH2 ARG 46 7.347 -2.805 -7.708 386 HH21 ARG 46 2HH1 ARG 46 10.090 -4.403 -6.394 387 HH22 ARG 46 1HH1 ARG 46 9.363 -2.864 -7.028 388 H GLY 47 H GLY 47 7.958 -8.914 -3.734 389 HA2 GLY 47 1HA GLY 47 6.930 -7.221 -1.554 390 HA3 GLY 47 2HA GLY 47 8.608 -7.371 -2.018 391 H LYS 48 H LYS 48 5.658 -5.795 -2.943 392 HA LYS 48 HA LYS 48 7.035 -3.406 -4.151 393 HB2 LYS 48 1HB LYS 48 5.060 -4.163 -5.146 394 HB3 LYS 48 2HB LYS 48 4.147 -4.269 -3.677 395 HG2 LYS 48 1HG LYS 48 5.086 -1.476 -4.591 396 HG3 LYS 48 2HG LYS 48 3.835 -2.289 -5.483 397 HD2 LYS 48 1HD LYS 48 2.846 -2.695 -2.903 398 HD3 LYS 48 2HD LYS 48 3.806 -1.254 -2.631 399 HE2 LYS 48 1HE LYS 48 2.456 -0.135 -4.595 400 HE3 LYS 48 2HE LYS 48 1.481 -1.615 -4.643 401 HZ1 LYS 48 3HZ LYS 48 1.227 -1.227 -2.075 402 HZ2 LYS 48 1HZ LYS 48 1.662 0.339 -2.342 403 HZ3 LYS 48 2HZ LYS 48 0.311 -0.301 -3.029 404 H ILE 49 H ILE 49 8.308 -2.487 -2.530 405 HA ILE 49 HA ILE 49 6.734 -0.950 -0.389 406 HB ILE 49 HB ILE 49 9.783 -1.397 -0.285 407 HG12 ILE 49 1HG1 ILE 49 9.022 -2.772 1.898 408 HG13 ILE 49 2HG1 ILE 49 7.497 -3.004 1.046 409 HG21 ILE 49 1HG2 ILE 49 7.743 -0.357 1.808 410 HG22 ILE 49 2HG2 ILE 49 9.513 -0.504 2.025 411 HG23 ILE 49 3HG2 ILE 49 8.852 0.642 0.852 412 HD11 ILE 49 3HD1 ILE 49 10.299 -3.834 -0.021 413 HD12 ILE 49 1HD1 ILE 49 9.158 -4.931 0.776 414 HD13 ILE 49 2HD1 ILE 49 8.756 -4.235 -0.796 415 HA PRO 50 HA PRO 50 8.261 2.298 -3.424 416 HB2 PRO 50 1HB PRO 50 6.210 4.126 -3.237 417 HB3 PRO 50 2HB PRO 50 5.966 2.532 -3.986 418 HG2 PRO 50 1HG PRO 50 5.327 3.335 -1.071 419 HG3 PRO 50 2HG PRO 50 4.208 2.586 -2.238 420 HD2 PRO 50 1HD PRO 50 5.712 1.140 -0.367 421 HD3 PRO 50 2HD PRO 50 5.233 0.413 -1.927 422 H LYS 51 H LYS 51 9.493 1.997 -1.090 423 HA LYS 51 HA LYS 51 9.851 4.641 0.290 424 HB2 LYS 51 1HB LYS 51 11.317 1.967 0.473 425 HB3 LYS 51 2HB LYS 51 12.084 3.384 1.130 426 HG2 LYS 51 1HG LYS 51 9.249 2.456 1.958 427 HG3 LYS 51 2HG LYS 51 10.734 1.900 2.686 428 HD2 LYS 51 1HD LYS 51 10.333 3.480 4.213 429 HD3 LYS 51 2HD LYS 51 11.242 4.492 3.129 430 HE2 LYS 51 1HE LYS 51 9.366 5.759 3.854 431 HE3 LYS 51 2HE LYS 51 9.041 5.418 2.167 432 HZ1 LYS 51 3HZ LYS 51 7.460 3.565 2.947 433 HZ2 LYS 51 1HZ LYS 51 7.770 3.913 4.497 434 HZ3 LYS 51 2HZ LYS 51 7.015 4.987 3.575 435 HA PRO 52 HA PRO 52 13.619 5.503 -2.562 436 HB2 PRO 52 1HB PRO 52 14.123 3.988 -4.851 437 HB3 PRO 52 2HB PRO 52 14.799 3.632 -3.249 438 HG2 PRO 52 1HG PRO 52 12.266 2.401 -4.502 439 HG3 PRO 52 2HG PRO 52 13.658 1.528 -3.810 440 HD2 PRO 52 1HD PRO 52 11.386 1.985 -2.335 441 HD3 PRO 52 2HD PRO 52 12.987 2.083 -1.539 442 H PHE 53 H PHE 53 10.543 4.573 -3.771 443 HA PHE 53 HA PHE 53 10.499 6.635 -5.990 444 HB2 PHE 53 1HB PHE 53 9.280 4.552 -6.395 445 HB3 PHE 53 2HB PHE 53 8.311 4.751 -4.949 446 HD1 PHE 53 HD2 PHE 53 9.130 6.531 -8.215 447 HD2 PHE 53 HD1 PHE 53 6.259 6.038 -5.049 448 HE1 PHE 53 HE2 PHE 53 7.458 7.792 -9.526 449 HE2 PHE 53 HE1 PHE 53 4.653 7.392 -6.302 450 HZ PHE 53 HZ PHE 53 5.211 8.201 -8.593 451 H GLU 54 H GLU 54 8.618 6.205 -2.855 452 HA GLU 54 HA GLU 54 7.670 9.005 -3.123 453 HB2 GLU 54 1HB GLU 54 6.424 6.968 -1.947 454 HB3 GLU 54 2HB GLU 54 7.368 7.410 -0.541 455 HG2 GLU 54 1HG GLU 54 6.369 9.929 -1.410 456 HG3 GLU 54 2HG GLU 54 5.101 8.883 -1.959 457 H ALA 55 H ALA 55 10.462 7.669 -1.673 458 HA ALA 55 HA ALA 55 11.214 10.064 -0.013 459 HB1 ALA 55 3HB ALA 55 13.434 8.956 0.116 460 HB2 ALA 55 1HB ALA 55 12.158 7.836 0.606 461 HB3 ALA 55 2HB ALA 55 12.925 7.686 -0.998 462 H TRP 56 H TRP 56 12.151 8.780 -3.303 463 HA TRP 56 HA TRP 56 13.740 11.251 -3.871 464 HB2 TRP 56 1HB TRP 56 14.177 8.916 -4.903 465 HB3 TRP 56 2HB TRP 56 12.795 9.190 -5.958 466 HD1 TRP 56 HD1 TRP 56 16.399 10.617 -5.134 467 HE1 TRP 56 HE1 TRP 56 17.361 12.076 -7.099 468 HE3 TRP 56 HE3 TRP 56 12.156 10.621 -8.041 469 HZ2 TRP 56 HZ2 TRP 56 16.285 13.037 -9.546 470 HZ3 TRP 56 HZ3 TRP 56 12.202 11.859 -10.195 471 HH2 TRP 56 HH2 TRP 56 14.221 13.043 -10.931 472 H ILE 57 H ILE 57 10.432 10.187 -4.702 473 HA ILE 57 HA ILE 57 9.595 12.847 -5.808 474 HB ILE 57 HB ILE 57 8.142 10.420 -4.647 475 HG12 ILE 57 1HG1 ILE 57 9.069 10.006 -6.832 476 HG13 ILE 57 2HG1 ILE 57 7.331 9.948 -6.807 477 HG21 ILE 57 1HG2 ILE 57 6.444 12.591 -5.876 478 HG22 ILE 57 2HG2 ILE 57 6.057 11.098 -4.946 479 HG23 ILE 57 3HG2 ILE 57 6.709 12.485 -4.140 480 HD11 ILE 57 3HD1 ILE 57 7.232 12.235 -7.952 481 HD12 ILE 57 1HD1 ILE 57 9.010 12.279 -7.971 482 HD13 ILE 57 2HD1 ILE 57 8.137 11.023 -8.876 483 H GLY 58 H GLY 58 10.766 12.275 -2.780 484 HA2 GLY 58 1HA GLY 58 9.372 14.780 -1.707 485 HA3 GLY 58 2HA GLY 58 9.972 13.547 -0.625 486 H THR 59 H THR 59 12.566 13.173 -2.039 487 HA THR 59 HA THR 59 14.221 14.767 -0.547 488 HB THR 59 HB THR 59 14.989 13.939 -3.425 489 HG1 THR 59 HG1 THR 59 15.742 12.060 -2.311 490 HG21 THR 59 3HG2 THR 59 17.277 13.572 -2.465 491 HG22 THR 59 1HG2 THR 59 16.822 15.264 -2.243 492 HG23 THR 59 2HG2 THR 59 16.736 14.144 -0.870 493 H ALA 60 H ALA 60 13.265 15.728 -3.729 494 HA ALA 60 HA ALA 60 13.802 18.658 -3.064 495 HB1 ALA 60 3HB ALA 60 14.494 19.174 -5.424 496 HB2 ALA 60 1HB ALA 60 15.597 17.989 -4.702 497 HB3 ALA 60 2HB ALA 60 14.364 17.458 -5.871 498 H ALA 61 H ALA 61 11.781 16.381 -4.865 499 HA ALA 61 HA ALA 61 9.915 18.326 -5.960 500 HB1 ALA 61 3HB ALA 61 9.643 15.335 -5.378 501 HB2 ALA 61 1HB ALA 61 8.443 16.270 -6.289 502 HB3 ALA 61 2HB ALA 61 10.106 16.105 -6.904 503 H TYR 62 H TYR 62 9.993 17.082 -2.768 504 HA TYR 62 HA TYR 62 7.292 17.470 -1.861 505 HB2 TYR 62 1HB TYR 62 9.213 16.543 -0.491 506 HB3 TYR 62 2HB TYR 62 9.835 18.150 -0.264 507 HD1 TYR 62 HD1 TYR 62 6.543 16.224 0.164 508 HD2 TYR 62 HD2 TYR 62 9.255 19.117 1.851 509 HE1 TYR 62 HE1 TYR 62 5.163 16.349 2.202 510 HE2 TYR 62 HE2 TYR 62 7.876 19.208 3.882 511 HH TYR 62 HH TYR 62 4.933 17.243 4.244 512 H THR 63 H THR 63 9.695 20.100 -2.228 513 HA THR 63 HA THR 63 7.864 22.177 -1.163 514 HB THR 63 HB THR 63 10.277 22.439 -1.109 515 HG1 THR 63 HG1 THR 63 10.105 24.660 -2.075 516 HG21 THR 63 3HG2 THR 63 10.179 23.223 -4.098 517 HG22 THR 63 1HG2 THR 63 11.557 23.370 -2.981 518 HG23 THR 63 2HG2 THR 63 10.984 21.772 -3.469 519 H ALA 64 H ALA 64 8.195 20.813 -4.354 520 HA ALA 64 HA ALA 64 6.305 22.818 -5.645 521 HB1 ALA 64 3HB ALA 64 6.607 21.417 -7.699 522 HB2 ALA 64 1HB ALA 64 8.176 21.904 -7.038 523 HB3 ALA 64 2HB ALA 64 7.588 20.243 -6.792 524 H TRP 65 H TRP 65 6.335 19.425 -4.581 525 HA TRP 65 HA TRP 65 3.549 18.780 -5.144 526 HB2 TRP 65 1HB TRP 65 5.788 17.367 -4.234 527 HB3 TRP 65 2HB TRP 65 4.899 17.503 -2.736 528 HD1 TRP 65 HD1 TRP 65 4.902 15.752 -6.162 529 HE1 TRP 65 HE1 TRP 65 2.960 14.023 -6.455 530 HE3 TRP 65 HE3 TRP 65 2.295 17.044 -1.918 531 HZ2 TRP 65 HZ2 TRP 65 0.596 13.463 -4.970 532 HZ3 TRP 65 HZ3 TRP 65 0.166 15.851 -1.437 533 HH2 TRP 65 HH2 TRP 65 -0.647 14.071 -2.954 534 H LYS 66 H LYS 66 4.962 20.179 -2.199 535 HA LYS 66 HA LYS 66 2.459 20.348 -0.652 536 HB2 LYS 66 1HB LYS 66 5.162 21.829 -0.505 537 HB3 LYS 66 2HB LYS 66 3.878 22.216 0.608 538 HG2 LYS 66 1HG LYS 66 4.945 19.336 0.259 539 HG3 LYS 66 2HG LYS 66 5.691 20.453 1.351 540 HD2 LYS 66 1HD LYS 66 2.710 19.658 1.471 541 HD3 LYS 66 2HD LYS 66 3.965 18.783 2.302 542 HE2 LYS 66 1HE LYS 66 4.596 20.790 3.673 543 HE3 LYS 66 2HE LYS 66 3.404 21.788 2.818 544 HZ1 LYS 66 3HZ LYS 66 2.736 19.303 4.391 545 HZ2 LYS 66 1HZ LYS 66 2.324 20.831 4.856 546 HZ3 LYS 66 2HZ LYS 66 1.658 20.129 3.501 547 H ALA 67 H ALA 67 3.816 22.643 -2.999 548 HA ALA 67 HA ALA 67 1.577 24.603 -2.699 549 HB1 ALA 67 3HB ALA 67 3.754 25.252 -3.728 550 HB2 ALA 67 1HB ALA 67 3.497 24.108 -5.071 551 HB3 ALA 67 2HB ALA 67 2.421 25.510 -4.868 552 H LYS 68 H LYS 68 2.055 21.715 -4.849 553 HA LYS 68 HA LYS 68 -0.539 22.090 -6.212 554 HB2 LYS 68 1HB LYS 68 1.328 19.658 -5.932 555 HB3 LYS 68 2HB LYS 68 -0.052 19.686 -7.018 556 HG2 LYS 68 1HG LYS 68 0.872 21.324 -8.488 557 HG3 LYS 68 2HG LYS 68 2.037 21.927 -7.311 558 HD2 LYS 68 1HD LYS 68 3.258 19.775 -7.284 559 HD3 LYS 68 2HD LYS 68 2.182 19.079 -8.484 560 HE2 LYS 68 1HE LYS 68 4.035 21.548 -8.860 561 HE3 LYS 68 2HE LYS 68 4.441 19.904 -9.345 562 HZ1 LYS 68 3HZ LYS 68 2.040 21.339 -10.490 563 HZ2 LYS 68 1HZ LYS 68 3.506 21.334 -11.232 564 HZ3 LYS 68 2HZ LYS 68 2.678 19.931 -11.049 565 H HIS 69 H HIS 69 0.308 19.978 -3.424 566 HA HIS 69 HA HIS 69 -2.655 19.769 -2.788 567 HB2 HIS 69 1HB HIS 69 -0.881 17.423 -3.563 568 HB3 HIS 69 2HB HIS 69 -1.657 17.194 -2.024 569 HD1 HIS 69 HD1 HIS 69 -3.516 15.479 -2.466 570 HD2 HIS 69 HD2 HIS 69 -3.266 18.534 -5.496 571 HE1 HIS 69 HE1 HIS 69 -5.526 15.329 -4.019 572 HE2 HIS 69 HE2 HIS 69 -5.459 17.047 -5.921 573 HA PRO 70 HA PRO 70 -1.370 21.231 0.969 574 HB2 PRO 70 1HB PRO 70 -3.231 20.413 2.912 575 HB3 PRO 70 2HB PRO 70 -3.588 21.449 1.515 576 HG2 PRO 70 1HG PRO 70 -3.891 18.363 1.627 577 HG3 PRO 70 2HG PRO 70 -5.159 19.559 1.222 578 HD2 PRO 70 1HD PRO 70 -3.775 18.376 -0.800 579 HD3 PRO 70 2HD PRO 70 -4.042 20.150 -0.882 580 H ASP 71 H ASP 71 -2.114 18.344 2.977 581 HA ASP 71 HA ASP 71 0.721 17.441 2.447 582 HB2 ASP 71 1HB ASP 71 0.465 18.598 4.827 583 HB3 ASP 71 2HB ASP 71 -0.426 17.172 5.288 584 H GLU 72 H GLU 72 -0.858 16.490 0.914 585 HA GLU 72 HA GLU 72 -2.216 14.014 1.868 586 HB2 GLU 72 1HB GLU 72 -2.732 15.423 -0.335 587 HB3 GLU 72 2HB GLU 72 -1.458 14.486 -1.045 588 HG2 GLU 72 1HG GLU 72 -2.901 12.406 0.096 589 HG3 GLU 72 2HG GLU 72 -4.186 13.564 -0.088 590 H LYS 73 H LYS 73 0.832 14.481 0.103 591 HA LYS 73 HA LYS 73 1.673 11.616 0.239 592 HB2 LYS 73 1HB LYS 73 2.363 13.283 -1.599 593 HB3 LYS 73 2HB LYS 73 3.359 14.107 -0.411 594 HG2 LYS 73 1HG LYS 73 4.343 11.539 -0.074 595 HG3 LYS 73 2HG LYS 73 3.584 11.284 -1.601 596 HD2 LYS 73 1HD LYS 73 5.712 11.840 -2.306 597 HD3 LYS 73 2HD LYS 73 4.982 13.420 -2.416 598 HE2 LYS 73 1HE LYS 73 7.044 13.845 -1.365 599 HE3 LYS 73 2HE LYS 73 5.892 13.909 -0.020 600 HZ1 LYS 73 3HZ LYS 73 6.557 11.550 0.563 601 HZ2 LYS 73 1HZ LYS 73 7.686 11.508 -0.640 602 HZ3 LYS 73 2HZ LYS 73 7.844 12.537 0.622 603 H PHE 74 H PHE 74 3.159 10.752 1.700 604 HA PHE 74 HA PHE 74 3.262 11.984 4.415 605 HB2 PHE 74 1HB PHE 74 3.019 9.465 3.873 606 HB3 PHE 74 2HB PHE 74 4.682 9.445 3.350 607 HD1 PHE 74 HD1 PHE 74 2.373 9.915 6.270 608 HD2 PHE 74 HD2 PHE 74 6.496 9.483 5.091 609 HE1 PHE 74 HE1 PHE 74 3.021 9.595 8.623 610 HE2 PHE 74 HE2 PHE 74 7.128 9.163 7.452 611 HZ PHE 74 HZ PHE 74 5.396 9.227 9.223 612 HA PRO 75 HA PRO 75 7.303 14.011 3.490 613 HB2 PRO 75 1HB PRO 75 8.075 14.911 5.997 614 HB3 PRO 75 2HB PRO 75 6.702 15.557 5.079 615 HG2 PRO 75 1HG PRO 75 6.605 13.411 7.286 616 HG3 PRO 75 2HG PRO 75 5.644 14.913 7.199 617 HD2 PRO 75 1HD PRO 75 4.633 12.499 6.321 618 HD3 PRO 75 2HD PRO 75 4.220 14.001 5.443 619 H ALA 76 H ALA 76 7.752 11.667 3.016 620 HA ALA 76 HA ALA 76 9.878 10.377 4.572 621 HB1 ALA 76 3HB ALA 76 8.903 9.836 1.679 622 HB2 ALA 76 1HB ALA 76 9.861 8.724 2.682 623 HB3 ALA 76 2HB ALA 76 8.202 9.151 3.163 624 H PHE 77 H PHE 77 11.954 10.496 4.474 625 HA PHE 77 HA PHE 77 13.427 12.061 2.302 626 HB2 PHE 77 1HB PHE 77 15.144 12.523 3.866 627 HB3 PHE 77 2HB PHE 77 13.662 12.837 4.699 628 HD1 PHE 77 HD2 PHE 77 12.878 11.177 6.542 629 HD2 PHE 77 HD1 PHE 77 16.701 10.744 4.595 630 HE1 PHE 77 HE2 PHE 77 13.635 9.656 8.333 631 HE2 PHE 77 HE1 PHE 77 17.431 9.217 6.369 632 HZ PHE 77 HZ PHE 77 15.906 8.667 8.249 633 HA PRO 78 HA PRO 78 15.335 8.085 1.036 634 HB2 PRO 78 1HB PRO 78 17.676 8.848 -0.207 635 HB3 PRO 78 2HB PRO 78 16.058 9.266 -0.823 636 HG2 PRO 78 1HG PRO 78 17.891 11.027 0.930 637 HG3 PRO 78 2HG PRO 78 17.147 11.478 -0.625 638 HD2 PRO 78 1HD PRO 78 15.984 12.148 1.796 639 HD3 PRO 78 2HD PRO 78 14.952 11.713 0.400 640 H GLY 79 H GLY 79 15.675 6.969 2.848 641 HA2 GLY 79 1HA GLY 79 18.460 7.000 4.174 642 HA3 GLY 79 2HA GLY 79 16.972 7.017 5.128 Start of MODEL 15 1 H1 PHE 1 1H PHE 1 -10.859 8.667 -2.773 2 H2 PHE 1 2H PHE 1 -12.424 8.674 -3.239 3 HA PHE 1 HA PHE 1 -12.170 10.736 -4.437 4 HB2 PHE 1 1HB PHE 1 -11.627 10.519 -1.407 5 HB3 PHE 1 2HB PHE 1 -11.567 12.100 -2.117 6 HD1 PHE 1 HD1 PHE 1 -13.572 13.040 -3.431 7 HD2 PHE 1 HD2 PHE 1 -13.861 9.450 -1.059 8 HE1 PHE 1 HE1 PHE 1 -16.025 13.235 -3.421 9 HE2 PHE 1 HE2 PHE 1 -16.315 9.667 -1.055 10 HZ PHE 1 HZ PHE 1 -17.402 11.553 -2.236 11 H ASN 2 H ASN 2 -10.951 12.839 -4.286 12 HA ASN 2 HA ASN 2 -8.371 12.350 -5.677 13 HB2 ASN 2 1HB ASN 2 -10.079 14.081 -6.404 14 HB3 ASN 2 2HB ASN 2 -9.700 15.041 -4.991 15 HD21 ASN 2 1HD2 ASN 2 -8.536 13.996 -8.115 16 HD22 ASN 2 2HD2 ASN 2 -7.139 15.185 -8.130 17 H VAL 3 H VAL 3 -9.142 14.124 -2.641 18 HA VAL 3 HA VAL 3 -6.166 13.966 -1.944 19 HB VAL 3 HB VAL 3 -7.096 16.228 -2.027 20 HG11 VAL 3 1HG1 VAL 3 -8.601 15.624 0.602 21 HG12 VAL 3 2HG1 VAL 3 -8.413 17.197 -0.201 22 HG13 VAL 3 3HG1 VAL 3 -9.381 15.923 -0.963 23 HG21 VAL 3 3HG2 VAL 3 -5.944 15.352 0.700 24 HG22 VAL 3 1HG2 VAL 3 -5.026 15.694 -0.790 25 HG23 VAL 3 2HG2 VAL 3 -5.918 16.996 0.022 26 H LYS 4 H LYS 4 -5.738 12.129 -0.963 27 HA LYS 4 HA LYS 4 -7.261 11.522 1.606 28 HB2 LYS 4 1HB LYS 4 -8.146 10.090 -0.355 29 HB3 LYS 4 2HB LYS 4 -6.584 9.272 -0.400 30 HG2 LYS 4 1HG LYS 4 -6.916 8.666 2.101 31 HG3 LYS 4 2HG LYS 4 -8.488 9.475 2.044 32 HD2 LYS 4 1HD LYS 4 -9.150 7.867 0.123 33 HD3 LYS 4 2HD LYS 4 -7.648 6.992 0.386 34 HE2 LYS 4 1HE LYS 4 -9.900 7.444 2.485 35 HE3 LYS 4 2HE LYS 4 -9.727 5.996 1.499 36 HZ1 LYS 4 3HZ LYS 4 -7.498 5.587 2.596 37 HZ2 LYS 4 1HZ LYS 4 -7.666 6.929 3.512 38 HZ3 LYS 4 2HZ LYS 4 -8.684 5.661 3.734 39 H GLN 5 H GLN 5 -5.826 11.644 3.132 40 HA GLN 5 HA GLN 5 -3.003 11.399 2.980 41 HB2 GLN 5 1HB GLN 5 -4.998 11.156 5.333 42 HB3 GLN 5 2HB GLN 5 -3.282 11.009 5.608 43 HG2 GLN 5 1HG GLN 5 -3.866 13.249 6.090 44 HG3 GLN 5 2HG GLN 5 -2.775 13.213 4.722 45 HE21 GLN 5 1HE2 GLN 5 -3.347 15.181 3.893 46 HE22 GLN 5 2HE2 GLN 5 -5.067 15.577 3.329 47 H LYS 6 H LYS 6 -1.574 9.976 4.117 48 HA LYS 6 HA LYS 6 -1.720 7.487 2.634 49 HB2 LYS 6 1HB LYS 6 0.443 8.312 4.661 50 HB3 LYS 6 2HB LYS 6 0.614 7.083 3.429 51 HG2 LYS 6 1HG LYS 6 0.524 10.121 3.072 52 HG3 LYS 6 2HG LYS 6 1.827 8.993 2.817 53 HD2 LYS 6 1HD LYS 6 1.305 9.546 0.716 54 HD3 LYS 6 2HD LYS 6 0.642 7.981 0.867 55 HE2 LYS 6 1HE LYS 6 -1.631 8.669 0.710 56 HE3 LYS 6 2HE LYS 6 -1.335 10.263 1.313 57 HZ1 LYS 6 3HZ LYS 6 -0.462 10.984 -0.760 58 HZ2 LYS 6 1HZ LYS 6 0.046 9.502 -1.240 59 HZ3 LYS 6 2HZ LYS 6 -1.567 9.946 -1.292 60 H SER 7 H SER 7 -1.262 5.361 3.273 61 HA SER 7 HA SER 7 -1.981 4.513 6.100 62 HB2 SER 7 1HB SER 7 -3.752 3.664 3.708 63 HB3 SER 7 2HB SER 7 -3.840 3.008 5.341 64 HG SER 7 HG SER 7 -3.855 5.755 5.331 65 H GLU 8 H GLU 8 -0.234 3.312 6.444 66 HA GLU 8 HA GLU 8 0.776 1.386 4.289 67 HB2 GLU 8 1HB GLU 8 2.367 2.691 6.567 68 HB3 GLU 8 2HB GLU 8 2.960 1.480 5.438 69 HG2 GLU 8 1HG GLU 8 2.307 3.147 3.499 70 HG3 GLU 8 2HG GLU 8 2.033 4.346 4.753 71 H ILE 9 H ILE 9 -0.019 -0.608 4.667 72 HA ILE 9 HA ILE 9 -0.305 -1.570 7.576 73 HB ILE 9 HB ILE 9 -2.019 -2.438 5.183 74 HG12 ILE 9 1HG1 ILE 9 -3.859 -1.361 6.953 75 HG13 ILE 9 2HG1 ILE 9 -2.503 -0.337 7.359 76 HG21 ILE 9 1HG2 ILE 9 -1.798 -4.286 6.811 77 HG22 ILE 9 2HG2 ILE 9 -2.298 -3.220 8.143 78 HG23 ILE 9 3HG2 ILE 9 -3.430 -3.633 6.817 79 HD11 ILE 9 3HD1 ILE 9 -3.763 -0.693 4.546 80 HD12 ILE 9 1HD1 ILE 9 -3.942 0.700 5.626 81 HD13 ILE 9 2HD1 ILE 9 -2.371 0.364 4.873 82 H THR 10 H THR 10 0.290 -3.572 8.057 83 HA THR 10 HA THR 10 2.603 -4.713 6.626 84 HB THR 10 HB THR 10 1.002 -5.516 9.163 85 HG1 THR 10 HG1 THR 10 2.349 -3.439 8.789 86 HG21 THR 10 3HG2 THR 10 3.875 -6.409 8.460 87 HG22 THR 10 1HG2 THR 10 3.076 -6.574 10.038 88 HG23 THR 10 2HG2 THR 10 2.452 -7.475 8.652 89 H ALA 11 H ALA 11 2.898 -6.956 6.199 90 HA ALA 11 HA ALA 11 1.032 -8.040 4.348 91 HB1 ALA 11 3HB ALA 11 2.635 -10.039 4.333 92 HB2 ALA 11 1HB ALA 11 3.463 -8.481 4.244 93 HB3 ALA 11 2HB ALA 11 3.425 -9.390 5.784 94 H LEU 12 H LEU 12 -0.004 -10.003 4.209 95 HA LEU 12 HA LEU 12 -1.135 -11.178 6.773 96 HB2 LEU 12 1HB LEU 12 -2.596 -9.278 5.622 97 HB3 LEU 12 2HB LEU 12 -2.857 -10.445 4.319 98 HG LEU 12 HG LEU 12 -3.953 -12.008 6.052 99 HD11 LEU 12 1HD1 LEU 12 -3.646 -9.519 7.898 100 HD12 LEU 12 2HD1 LEU 12 -4.661 -10.934 8.244 101 HD13 LEU 12 3HD1 LEU 12 -2.904 -11.102 8.184 102 HD21 LEU 12 3HD2 LEU 12 -5.287 -10.477 4.574 103 HD22 LEU 12 1HD2 LEU 12 -6.043 -10.636 6.168 104 HD23 LEU 12 2HD2 LEU 12 -5.140 -9.159 5.770 105 H VAL 13 H VAL 13 -1.968 -13.265 6.512 106 HA VAL 13 HA VAL 13 -0.498 -15.013 4.675 107 HB VAL 13 HB VAL 13 -1.897 -16.851 5.605 108 HG11 VAL 13 1HG1 VAL 13 0.264 -16.260 6.665 109 HG12 VAL 13 2HG1 VAL 13 -0.549 -15.128 7.768 110 HG13 VAL 13 3HG1 VAL 13 -0.894 -16.869 7.860 111 HG21 VAL 13 3HG2 VAL 13 -3.391 -16.594 7.522 112 HG22 VAL 13 1HG2 VAL 13 -3.181 -14.831 7.556 113 HG23 VAL 13 2HG2 VAL 13 -4.033 -15.593 6.205 114 H LYS 14 H LYS 14 -1.067 -16.105 2.934 115 HA LYS 14 HA LYS 14 -2.597 -14.573 1.216 116 HB2 LYS 14 1HB LYS 14 -1.569 -15.470 -0.443 117 HB3 LYS 14 2HB LYS 14 -0.545 -16.145 0.774 118 HG2 LYS 14 1HG LYS 14 -1.350 -18.370 0.460 119 HG3 LYS 14 2HG LYS 14 -2.853 -17.894 -0.245 120 HD2 LYS 14 1HD LYS 14 -0.359 -17.039 -1.783 121 HD3 LYS 14 2HD LYS 14 -0.711 -18.746 -1.715 122 HE2 LYS 14 1HE LYS 14 -1.629 -17.678 -3.756 123 HE3 LYS 14 2HE LYS 14 -2.819 -18.580 -2.822 124 HZ1 LYS 14 3HZ LYS 14 -3.717 -16.406 -3.605 125 HZ2 LYS 14 1HZ LYS 14 -3.796 -16.524 -2.000 126 HZ3 LYS 14 2HZ LYS 14 -2.650 -15.552 -2.669 127 H GLU 15 H GLU 15 -4.175 -14.775 -0.256 128 HA GLU 15 HA GLU 15 -6.700 -15.744 0.599 129 HB2 GLU 15 1HB GLU 15 -5.870 -14.742 -2.215 130 HB3 GLU 15 2HB GLU 15 -7.493 -14.785 -1.561 131 HG2 GLU 15 1HG GLU 15 -6.826 -12.533 -1.436 132 HG3 GLU 15 2HG GLU 15 -6.792 -13.074 0.227 133 H VAL 16 H VAL 16 -7.446 -17.785 0.488 134 HA VAL 16 HA VAL 16 -7.080 -19.534 -1.955 135 HB VAL 16 HB VAL 16 -6.304 -20.662 0.833 136 HG11 VAL 16 1HG1 VAL 16 -7.076 -22.448 -0.624 137 HG12 VAL 16 2HG1 VAL 16 -6.125 -21.861 -2.024 138 HG13 VAL 16 3HG1 VAL 16 -5.326 -22.567 -0.604 139 HG21 VAL 16 3HG2 VAL 16 -4.360 -19.741 -1.385 140 HG22 VAL 16 1HG2 VAL 16 -4.475 -19.181 0.310 141 HG23 VAL 16 2HG2 VAL 16 -3.918 -20.817 -0.029 142 H THR 17 H THR 17 -8.816 -21.002 -2.194 143 HA THR 17 HA THR 17 -11.244 -20.441 -0.551 144 HB THR 17 HB THR 17 -10.864 -22.285 -2.975 145 HG1 THR 17 HG1 THR 17 -12.406 -19.981 -2.855 146 HG21 THR 17 3HG2 THR 17 -12.865 -23.076 -1.678 147 HG22 THR 17 1HG2 THR 17 -13.482 -21.416 -1.564 148 HG23 THR 17 2HG2 THR 17 -13.353 -22.223 -3.148 149 HA PRO 18 HA PRO 18 -10.698 -24.795 1.390 150 HB2 PRO 18 1HB PRO 18 -8.526 -26.451 0.802 151 HB3 PRO 18 2HB PRO 18 -10.040 -26.428 -0.126 152 HG2 PRO 18 1HG PRO 18 -7.435 -24.923 -0.785 153 HG3 PRO 18 2HG PRO 18 -8.377 -25.981 -1.870 154 HD2 PRO 18 1HD PRO 18 -8.676 -23.232 -1.909 155 HD3 PRO 18 2HD PRO 18 -10.080 -24.263 -2.186 156 HA PRO 19 HA PRO 19 -8.209 -22.906 4.511 157 HB2 PRO 19 1HB PRO 19 -8.094 -24.717 6.604 158 HB3 PRO 19 2HB PRO 19 -9.597 -23.992 5.988 159 HG2 PRO 19 1HG PRO 19 -8.404 -26.724 5.183 160 HG3 PRO 19 2HG PRO 19 -10.046 -26.415 5.816 161 HD2 PRO 19 1HD PRO 19 -9.613 -26.576 3.102 162 HD3 PRO 19 2HD PRO 19 -10.736 -25.330 3.740 163 H ARG 20 H ARG 20 -6.436 -22.871 3.046 164 HA ARG 20 HA ARG 20 -3.852 -24.060 4.206 165 HB2 ARG 20 1HB ARG 20 -4.931 -25.172 2.112 166 HB3 ARG 20 2HB ARG 20 -4.595 -23.695 1.220 167 HG2 ARG 20 1HG ARG 20 -2.080 -24.042 1.739 168 HG3 ARG 20 2HG ARG 20 -2.517 -25.520 2.616 169 HD2 ARG 20 1HD ARG 20 -3.648 -26.376 0.441 170 HD3 ARG 20 2HD ARG 20 -2.977 -24.952 -0.398 171 HE ARG 20 HE ARG 20 -0.773 -26.249 0.997 172 HH11 ARG 20 2HH2 ARG 20 -2.915 -26.994 -1.641 173 HH12 ARG 20 1HH2 ARG 20 -1.744 -28.210 -2.341 174 HH21 ARG 20 2HH1 ARG 20 0.524 -27.641 0.183 175 HH22 ARG 20 1HH1 ARG 20 0.104 -28.540 -1.342 176 H LYS 21 H LYS 21 -2.350 -22.550 4.642 177 HA LYS 21 HA LYS 21 -2.677 -19.716 3.493 178 HB2 LYS 21 1HB LYS 21 -2.116 -20.597 6.396 179 HB3 LYS 21 2HB LYS 21 -1.998 -18.955 5.848 180 HG2 LYS 21 1HG LYS 21 -4.554 -20.664 5.956 181 HG3 LYS 21 2HG LYS 21 -4.100 -19.333 7.016 182 HD2 LYS 21 1HD LYS 21 -4.180 -17.738 5.004 183 HD3 LYS 21 2HD LYS 21 -4.710 -19.080 3.989 184 HE2 LYS 21 1HE LYS 21 -6.775 -19.407 5.377 185 HE3 LYS 21 2HE LYS 21 -6.292 -18.091 6.461 186 HZ1 LYS 21 3HZ LYS 21 -6.615 -17.736 3.473 187 HZ2 LYS 21 1HZ LYS 21 -7.784 -17.293 4.556 188 HZ3 LYS 21 2HZ LYS 21 -6.315 -16.536 4.522 189 H ALA 22 H ALA 22 -1.004 -18.867 2.604 190 HA ALA 22 HA ALA 22 1.802 -19.986 3.106 191 HB1 ALA 22 3HB ALA 22 0.828 -18.363 0.658 192 HB2 ALA 22 1HB ALA 22 2.357 -19.220 0.831 193 HB3 ALA 22 2HB ALA 22 0.845 -20.146 0.723 194 HA PRO 23 HA PRO 23 2.920 -15.707 4.502 195 HB2 PRO 23 1HB PRO 23 5.660 -15.854 4.586 196 HB3 PRO 23 2HB PRO 23 4.617 -16.823 5.652 197 HG2 PRO 23 1HG PRO 23 5.883 -17.729 2.981 198 HG3 PRO 23 2HG PRO 23 6.024 -18.542 4.566 199 HD2 PRO 23 1HD PRO 23 4.105 -19.301 2.703 200 HD3 PRO 23 2HD PRO 23 3.749 -19.351 4.460 201 H SER 24 H SER 24 1.886 -15.214 2.379 202 HA SER 24 HA SER 24 3.440 -14.359 0.057 203 HB2 SER 24 1HB SER 24 1.314 -13.157 -0.608 204 HB3 SER 24 2HB SER 24 1.114 -14.857 -0.206 205 HG SER 24 HG SER 24 0.677 -12.834 1.756 206 H LYS 25 H LYS 25 4.496 -12.546 -0.390 207 HA LYS 25 HA LYS 25 4.978 -10.481 1.685 208 HB2 LYS 25 1HB LYS 25 5.866 -10.293 -1.242 209 HB3 LYS 25 2HB LYS 25 6.434 -9.338 0.104 210 HG2 LYS 25 1HG LYS 25 6.908 -12.335 -0.375 211 HG3 LYS 25 2HG LYS 25 8.055 -11.018 -0.572 212 HD2 LYS 25 1HD LYS 25 7.915 -10.563 1.955 213 HD3 LYS 25 2HD LYS 25 6.809 -11.940 2.107 214 HE2 LYS 25 1HE LYS 25 8.584 -13.488 1.134 215 HE3 LYS 25 2HE LYS 25 9.710 -12.131 1.003 216 HZ1 LYS 25 3HZ LYS 25 10.049 -13.359 3.146 217 HZ2 LYS 25 1HZ LYS 25 9.530 -11.839 3.491 218 HZ3 LYS 25 2HZ LYS 25 8.492 -13.105 3.599 219 H ALA 26 H ALA 26 2.953 -9.779 2.059 220 HA ALA 26 HA ALA 26 1.405 -8.305 -0.019 221 HB1 ALA 26 3HB ALA 26 -0.450 -8.525 1.724 222 HB2 ALA 26 1HB ALA 26 0.267 -10.057 1.196 223 HB3 ALA 26 2HB ALA 26 0.720 -9.393 2.752 224 H LYS 27 H LYS 27 1.317 -6.266 -0.188 225 HA LYS 27 HA LYS 27 1.990 -4.393 2.163 226 HB2 LYS 27 1HB LYS 27 3.321 -4.649 -0.606 227 HB3 LYS 27 2HB LYS 27 3.093 -3.057 0.035 228 HG2 LYS 27 1HG LYS 27 5.071 -3.324 0.981 229 HG3 LYS 27 2HG LYS 27 4.136 -3.962 2.290 230 HD2 LYS 27 1HD LYS 27 4.575 -6.286 0.678 231 HD3 LYS 27 2HD LYS 27 6.005 -5.341 0.331 232 HE2 LYS 27 1HE LYS 27 4.962 -6.255 3.107 233 HE3 LYS 27 2HE LYS 27 6.289 -7.002 2.215 234 HZ1 LYS 27 3HZ LYS 27 7.121 -5.354 3.959 235 HZ2 LYS 27 1HZ LYS 27 7.584 -4.869 2.448 236 HZ3 LYS 27 2HZ LYS 27 6.326 -4.138 3.188 237 H ARG 28 H ARG 28 0.861 -2.604 2.356 238 HA ARG 28 HA ARG 28 -1.260 -1.902 0.273 239 HB2 ARG 28 1HB ARG 28 -1.963 -1.895 3.235 240 HB3 ARG 28 2HB ARG 28 -3.010 -1.588 1.877 241 HG2 ARG 28 1HG ARG 28 -2.801 -4.008 1.160 242 HG3 ARG 28 2HG ARG 28 -1.728 -4.332 2.502 243 HD2 ARG 28 1HD ARG 28 -3.567 -3.762 4.169 244 HD3 ARG 28 2HD ARG 28 -4.622 -3.313 2.853 245 HE ARG 28 HE ARG 28 -4.978 -5.630 2.265 246 HH11 ARG 28 2HH2 ARG 28 -2.298 -5.492 4.495 247 HH12 ARG 28 1HH2 ARG 28 -2.266 -7.298 4.680 248 HH21 ARG 28 2HH1 ARG 28 -4.915 -7.674 2.496 249 HH22 ARG 28 1HH1 ARG 28 -3.698 -8.460 3.592 250 H GLU 29 H GLU 29 -0.551 0.098 -0.261 251 HA GLU 29 HA GLU 29 0.312 2.063 1.818 252 HB2 GLU 29 1HB GLU 29 2.414 1.401 -0.329 253 HB3 GLU 29 2HB GLU 29 2.452 2.708 0.825 254 HG2 GLU 29 1HG GLU 29 3.855 1.307 1.924 255 HG3 GLU 29 2HG GLU 29 2.377 0.809 2.712 256 H ALA 30 H ALA 30 -0.076 4.046 1.195 257 HA ALA 30 HA ALA 30 -0.950 4.721 -1.643 258 HB1 ALA 30 3HB ALA 30 -2.302 5.472 0.309 259 HB2 ALA 30 1HB ALA 30 -0.904 6.357 0.946 260 HB3 ALA 30 2HB ALA 30 -1.654 6.842 -0.586 261 HA PRO 31 HA PRO 31 3.089 7.022 -2.089 262 HB2 PRO 31 1HB PRO 31 3.490 6.802 -4.761 263 HB3 PRO 31 2HB PRO 31 3.689 5.453 -3.648 264 HG2 PRO 31 1HG PRO 31 1.237 6.063 -5.413 265 HG3 PRO 31 2HG PRO 31 2.105 4.513 -5.281 266 HD2 PRO 31 1HD PRO 31 -0.217 5.143 -3.814 267 HD3 PRO 31 2HD PRO 31 1.010 3.985 -3.220 268 H ILE 32 H ILE 32 1.713 8.038 -5.064 269 HA ILE 32 HA ILE 32 0.856 10.687 -3.802 270 HB ILE 32 HB ILE 32 1.945 11.869 -5.808 271 HG12 ILE 32 1HG1 ILE 32 3.832 9.465 -5.899 272 HG13 ILE 32 2HG1 ILE 32 2.576 9.687 -7.097 273 HG21 ILE 32 1HG2 ILE 32 2.705 11.882 -3.363 274 HG22 ILE 32 2HG2 ILE 32 3.933 10.659 -3.793 275 HG23 ILE 32 3HG2 ILE 32 3.952 12.271 -4.531 276 HD11 ILE 32 3HD1 ILE 32 3.616 11.767 -7.934 277 HD12 ILE 32 1HD1 ILE 32 4.700 11.872 -6.575 278 HD13 ILE 32 2HD1 ILE 32 4.929 10.566 -7.725 279 H LYS 33 H LYS 33 -0.828 11.684 -4.687 280 HA LYS 33 HA LYS 33 -2.460 10.342 -6.793 281 HB2 LYS 33 1HB LYS 33 -3.427 11.572 -4.795 282 HB3 LYS 33 2HB LYS 33 -2.843 13.082 -5.436 283 HG2 LYS 33 1HG LYS 33 -5.169 12.938 -5.929 284 HG3 LYS 33 2HG LYS 33 -4.327 12.865 -7.448 285 HD2 LYS 33 1HD LYS 33 -6.144 11.357 -7.550 286 HD3 LYS 33 2HD LYS 33 -4.699 10.384 -7.612 287 HE2 LYS 33 1HE LYS 33 -5.029 9.340 -5.565 288 HE3 LYS 33 2HE LYS 33 -5.786 10.722 -4.790 289 HZ1 LYS 33 3HZ LYS 33 -7.772 10.351 -6.307 290 HZ2 LYS 33 1HZ LYS 33 -7.127 8.943 -6.841 291 HZ3 LYS 33 2HZ LYS 33 -7.605 9.174 -5.231 292 H TYR 34 H TYR 34 -0.117 12.877 -6.905 293 HA TYR 34 HA TYR 34 -0.908 14.057 -9.521 294 HB2 TYR 34 1HB TYR 34 0.639 15.104 -7.715 295 HB3 TYR 34 2HB TYR 34 1.913 14.039 -8.269 296 HD1 TYR 34 HD1 TYR 34 -0.297 16.917 -9.212 297 HD2 TYR 34 HD2 TYR 34 3.068 14.515 -10.435 298 HE1 TYR 34 HE1 TYR 34 0.266 18.568 -10.951 299 HE2 TYR 34 HE2 TYR 34 3.611 16.167 -12.167 300 HH TYR 34 HH TYR 34 2.706 17.987 -13.351 301 H TRP 35 H TRP 35 1.219 11.347 -8.735 302 HA TRP 35 HA TRP 35 1.804 10.822 -11.679 303 HB2 TRP 35 1HB TRP 35 3.566 10.570 -9.820 304 HB3 TRP 35 2HB TRP 35 2.719 9.125 -9.271 305 HD1 TRP 35 HD1 TRP 35 3.084 6.849 -10.854 306 HE1 TRP 35 HE1 TRP 35 4.883 6.179 -12.648 307 HE3 TRP 35 HE3 TRP 35 4.853 11.590 -11.754 308 HZ2 TRP 35 HZ2 TRP 35 6.806 7.640 -14.149 309 HZ3 TRP 35 HZ3 TRP 35 6.727 11.866 -13.362 310 HH2 TRP 35 HH2 TRP 35 7.683 9.934 -14.534 311 H LEU 36 H LEU 36 -0.000 9.168 -8.973 312 HA LEU 36 HA LEU 36 -1.216 7.322 -11.097 313 HB2 LEU 36 1HB LEU 36 -0.850 6.810 -8.082 314 HB3 LEU 36 2HB LEU 36 -1.623 5.710 -9.218 315 HG LEU 36 HG LEU 36 1.355 6.521 -9.232 316 HD11 LEU 36 1HD1 LEU 36 1.734 4.202 -8.456 317 HD12 LEU 36 2HD1 LEU 36 0.627 5.024 -7.341 318 HD13 LEU 36 3HD1 LEU 36 -0.013 3.843 -8.503 319 HD21 LEU 36 3HD2 LEU 36 0.643 6.006 -11.583 320 HD22 LEU 36 1HD2 LEU 36 1.625 4.681 -10.950 321 HD23 LEU 36 2HD2 LEU 36 -0.142 4.500 -11.056 322 HA PRO 37 HA PRO 37 -5.130 9.338 -9.825 323 HB2 PRO 37 1HB PRO 37 -7.022 7.697 -11.052 324 HB3 PRO 37 2HB PRO 37 -5.955 8.824 -11.910 325 HG2 PRO 37 1HG PRO 37 -5.465 5.814 -11.457 326 HG3 PRO 37 2HG PRO 37 -5.451 6.687 -13.013 327 HD2 PRO 37 1HD PRO 37 -3.104 6.196 -11.660 328 HD3 PRO 37 2HD PRO 37 -3.330 7.769 -12.493 329 H HIS 38 H HIS 38 -4.239 6.343 -8.522 330 HA HIS 38 HA HIS 38 -6.283 6.720 -6.269 331 HB2 HIS 38 1HB HIS 38 -6.792 4.808 -7.967 332 HB3 HIS 38 2HB HIS 38 -5.320 4.017 -7.452 333 HD1 HIS 38 HD1 HIS 38 -5.360 2.811 -4.984 334 HD2 HIS 38 HD2 HIS 38 -8.938 4.883 -6.178 335 HE1 HIS 38 HE1 HIS 38 -7.296 2.147 -3.445 336 HE2 HIS 38 HE2 HIS 38 -9.518 3.312 -4.089 337 H SER 39 H SER 39 -5.119 7.310 -4.535 338 HA SER 39 HA SER 39 -2.282 6.296 -4.100 339 HB2 SER 39 1HB SER 39 -3.720 8.346 -2.337 340 HB3 SER 39 2HB SER 39 -1.995 7.955 -2.464 341 HG SER 39 HG SER 39 -2.645 9.879 -3.620 342 H GLY 40 H GLY 40 -2.678 4.194 -3.583 343 HA2 GLY 40 1HA GLY 40 -2.806 3.146 -1.035 344 HA3 GLY 40 2HA GLY 40 -4.527 3.405 -1.292 345 H ALA 41 H ALA 41 -1.720 1.618 -2.410 346 HA ALA 41 HA ALA 41 -3.534 -0.231 -4.078 347 HB1 ALA 41 3HB ALA 41 -1.759 0.952 -5.334 348 HB2 ALA 41 1HB ALA 41 -0.493 0.272 -4.279 349 HB3 ALA 41 2HB ALA 41 -1.457 -0.798 -5.323 350 H THR 42 H THR 42 -4.019 -2.081 -3.159 351 HA THR 42 HA THR 42 -2.198 -3.480 -1.183 352 HB THR 42 HB THR 42 -4.445 -3.324 -0.503 353 HG1 THR 42 HG1 THR 42 -4.045 -5.999 -1.264 354 HG21 THR 42 3HG2 THR 42 -5.838 -3.418 -2.594 355 HG22 THR 42 1HG2 THR 42 -5.362 -5.102 -2.862 356 HG23 THR 42 2HG2 THR 42 -6.298 -4.661 -1.424 357 H TRP 43 H TRP 43 -0.630 -4.618 -2.025 358 HA TRP 43 HA TRP 43 -1.150 -6.413 -4.489 359 HB2 TRP 43 1HB TRP 43 0.509 -4.465 -4.815 360 HB3 TRP 43 2HB TRP 43 1.603 -5.276 -3.689 361 HD1 TRP 43 HD1 TRP 43 1.073 -8.418 -5.049 362 HE1 TRP 43 HE1 TRP 43 2.274 -9.006 -7.299 363 HE3 TRP 43 HE3 TRP 43 1.947 -3.577 -6.604 364 HZ2 TRP 43 HZ2 TRP 43 3.465 -7.477 -9.365 365 HZ3 TRP 43 HZ3 TRP 43 3.207 -3.235 -8.706 366 HH2 TRP 43 HH2 TRP 43 3.976 -5.151 -10.050 367 H SER 44 H SER 44 -1.621 -8.345 -3.552 368 HA SER 44 HA SER 44 -0.004 -9.405 -1.191 369 HB2 SER 44 1HB SER 44 -2.546 -9.399 -1.163 370 HB3 SER 44 2HB SER 44 -2.532 -10.600 -2.460 371 HG SER 44 HG SER 44 -2.589 -11.572 -0.431 372 H GLY 45 H GLY 45 1.959 -9.931 -2.182 373 HA2 GLY 45 1HA GLY 45 2.468 -12.545 -3.096 374 HA3 GLY 45 2HA GLY 45 2.018 -11.772 -4.603 375 H ARG 46 H ARG 46 3.231 -9.704 -5.035 376 HA ARG 46 HA ARG 46 6.201 -10.341 -4.914 377 HB2 ARG 46 1HB ARG 46 5.037 -9.840 -7.079 378 HB3 ARG 46 2HB ARG 46 4.643 -8.227 -6.529 379 HG2 ARG 46 1HG ARG 46 7.587 -9.143 -6.739 380 HG3 ARG 46 2HG ARG 46 6.633 -8.726 -8.154 381 HD2 ARG 46 1HD ARG 46 6.103 -6.431 -7.072 382 HD3 ARG 46 2HD ARG 46 7.269 -6.837 -5.802 383 HE ARG 46 HE ARG 46 8.330 -7.155 -8.607 384 HH11 ARG 46 2HH2 ARG 46 8.101 -4.974 -5.906 385 HH12 ARG 46 1HH2 ARG 46 9.291 -3.814 -6.670 386 HH21 ARG 46 2HH1 ARG 46 9.700 -5.835 -9.408 387 HH22 ARG 46 1HH1 ARG 46 10.141 -4.300 -8.542 388 H GLY 47 H GLY 47 7.671 -9.006 -4.008 389 HA2 GLY 47 1HA GLY 47 6.864 -7.280 -1.689 390 HA3 GLY 47 2HA GLY 47 8.502 -7.619 -2.193 391 H LYS 48 H LYS 48 5.691 -5.778 -3.311 392 HA LYS 48 HA LYS 48 7.420 -3.469 -4.198 393 HB2 LYS 48 1HB LYS 48 5.469 -2.396 -4.972 394 HB3 LYS 48 2HB LYS 48 5.361 -4.077 -5.391 395 HG2 LYS 48 1HG LYS 48 3.232 -3.895 -4.705 396 HG3 LYS 48 2HG LYS 48 3.877 -4.261 -3.123 397 HD2 LYS 48 1HD LYS 48 4.068 -1.695 -2.717 398 HD3 LYS 48 2HD LYS 48 3.247 -1.440 -4.256 399 HE2 LYS 48 1HE LYS 48 1.175 -2.498 -3.465 400 HE3 LYS 48 2HE LYS 48 1.975 -3.234 -2.088 401 HZ1 LYS 48 3HZ LYS 48 1.844 -0.237 -2.336 402 HZ2 LYS 48 1HZ LYS 48 0.681 -1.134 -1.578 403 HZ3 LYS 48 2HZ LYS 48 2.228 -1.108 -1.007 404 H ILE 49 H ILE 49 8.374 -2.153 -2.696 405 HA ILE 49 HA ILE 49 6.586 -1.064 -0.451 406 HB ILE 49 HB ILE 49 9.668 -1.149 -0.256 407 HG12 ILE 49 1HG1 ILE 49 9.088 -2.721 1.814 408 HG13 ILE 49 2HG1 ILE 49 7.578 -3.072 0.967 409 HG21 ILE 49 1HG2 ILE 49 9.252 -0.423 2.089 410 HG22 ILE 49 2HG2 ILE 49 8.492 0.719 0.983 411 HG23 ILE 49 3HG2 ILE 49 7.484 -0.461 1.837 412 HD11 ILE 49 3HD1 ILE 49 9.441 -4.780 0.609 413 HD12 ILE 49 1HD1 ILE 49 8.929 -4.093 -0.936 414 HD13 ILE 49 2HD1 ILE 49 10.433 -3.537 -0.175 415 HA PRO 50 HA PRO 50 7.847 2.430 -3.276 416 HB2 PRO 50 1HB PRO 50 5.646 4.070 -3.064 417 HB3 PRO 50 2HB PRO 50 5.529 2.458 -3.807 418 HG2 PRO 50 1HG PRO 50 4.864 3.209 -0.886 419 HG3 PRO 50 2HG PRO 50 3.803 2.363 -2.041 420 HD2 PRO 50 1HD PRO 50 5.445 1.030 -0.185 421 HD3 PRO 50 2HD PRO 50 5.000 0.293 -1.755 422 H LYS 51 H LYS 51 8.936 2.207 -0.757 423 HA LYS 51 HA LYS 51 9.102 4.966 0.445 424 HB2 LYS 51 1HB LYS 51 10.389 2.295 1.178 425 HB3 LYS 51 2HB LYS 51 11.153 3.748 1.757 426 HG2 LYS 51 1HG LYS 51 8.137 3.200 2.163 427 HG3 LYS 51 2HG LYS 51 9.365 2.646 3.286 428 HD2 LYS 51 1HD LYS 51 10.073 4.863 3.899 429 HD3 LYS 51 2HD LYS 51 9.257 5.656 2.576 430 HE2 LYS 51 1HE LYS 51 7.724 4.143 4.816 431 HE3 LYS 51 2HE LYS 51 8.171 5.841 4.919 432 HZ1 LYS 51 3HZ LYS 51 6.767 6.252 2.827 433 HZ2 LYS 51 1HZ LYS 51 6.413 4.654 2.769 434 HZ3 LYS 51 2HZ LYS 51 5.881 5.511 3.998 435 HA PRO 52 HA PRO 52 13.263 5.535 -1.898 436 HB2 PRO 52 1HB PRO 52 13.876 3.959 -4.109 437 HB3 PRO 52 2HB PRO 52 14.406 3.609 -2.453 438 HG2 PRO 52 1HG PRO 52 11.951 2.437 -3.893 439 HG3 PRO 52 2HG PRO 52 13.232 1.540 -3.040 440 HD2 PRO 52 1HD PRO 52 10.839 2.148 -1.837 441 HD3 PRO 52 2HD PRO 52 12.340 2.159 -0.869 442 H PHE 53 H PHE 53 10.272 4.659 -3.373 443 HA PHE 53 HA PHE 53 10.427 6.740 -5.563 444 HB2 PHE 53 1HB PHE 53 9.178 4.671 -6.023 445 HB3 PHE 53 2HB PHE 53 8.106 4.942 -4.665 446 HD1 PHE 53 HD2 PHE 53 9.234 6.541 -7.929 447 HD2 PHE 53 HD1 PHE 53 6.143 6.337 -4.944 448 HE1 PHE 53 HE2 PHE 53 7.691 7.757 -9.434 449 HE2 PHE 53 HE1 PHE 53 4.632 7.571 -6.435 450 HZ PHE 53 HZ PHE 53 5.391 8.266 -8.699 451 H GLU 54 H GLU 54 8.331 6.346 -2.576 452 HA GLU 54 HA GLU 54 7.466 9.129 -2.594 453 HB2 GLU 54 1HB GLU 54 6.364 7.219 -1.334 454 HB3 GLU 54 2HB GLU 54 7.670 7.247 -0.153 455 HG2 GLU 54 1HG GLU 54 7.057 9.643 0.445 456 HG3 GLU 54 2HG GLU 54 5.799 9.626 -0.791 457 H ALA 55 H ALA 55 10.422 7.792 -1.355 458 HA ALA 55 HA ALA 55 11.366 10.232 0.104 459 HB1 ALA 55 3HB ALA 55 12.890 7.732 -0.875 460 HB2 ALA 55 1HB ALA 55 13.547 9.004 0.167 461 HB3 ALA 55 2HB ALA 55 12.211 7.995 0.745 462 H TRP 56 H TRP 56 12.110 8.807 -3.139 463 HA TRP 56 HA TRP 56 13.734 11.182 -3.948 464 HB2 TRP 56 1HB TRP 56 13.783 8.700 -4.922 465 HB3 TRP 56 2HB TRP 56 12.452 9.208 -5.943 466 HD1 TRP 56 HD1 TRP 56 13.195 11.712 -7.509 467 HE1 TRP 56 HE1 TRP 56 15.451 12.262 -8.747 468 HE3 TRP 56 HE3 TRP 56 16.144 8.331 -4.980 469 HZ2 TRP 56 HZ2 TRP 56 18.107 11.276 -8.533 470 HZ3 TRP 56 HZ3 TRP 56 18.552 8.193 -5.569 471 HH2 TRP 56 HH2 TRP 56 19.514 9.634 -7.306 472 H ILE 57 H ILE 57 10.331 10.242 -4.437 473 HA ILE 57 HA ILE 57 9.536 12.872 -5.663 474 HB ILE 57 HB ILE 57 8.036 10.494 -4.436 475 HG12 ILE 57 1HG1 ILE 57 8.976 9.994 -6.615 476 HG13 ILE 57 2HG1 ILE 57 7.238 9.978 -6.601 477 HG21 ILE 57 1HG2 ILE 57 6.482 12.775 -5.683 478 HG22 ILE 57 2HG2 ILE 57 5.946 11.222 -4.954 479 HG23 ILE 57 3HG2 ILE 57 6.628 12.487 -3.956 480 HD11 ILE 57 3HD1 ILE 57 7.193 12.242 -7.788 481 HD12 ILE 57 1HD1 ILE 57 8.972 12.246 -7.807 482 HD13 ILE 57 2HD1 ILE 57 8.073 10.997 -8.692 483 H GLY 58 H GLY 58 10.799 12.429 -2.679 484 HA2 GLY 58 1HA GLY 58 9.476 15.017 -1.716 485 HA3 GLY 58 2HA GLY 58 10.046 13.833 -0.562 486 H THR 59 H THR 59 12.602 13.299 -1.997 487 HA THR 59 HA THR 59 14.375 14.849 -0.608 488 HB THR 59 HB THR 59 14.893 13.926 -3.509 489 HG1 THR 59 HG1 THR 59 15.724 12.093 -2.392 490 HG21 THR 59 3HG2 THR 59 16.860 15.273 -2.634 491 HG22 THR 59 1HG2 THR 59 16.910 14.256 -1.181 492 HG23 THR 59 2HG2 THR 59 17.260 13.559 -2.780 493 H ALA 60 H ALA 60 13.317 15.839 -3.722 494 HA ALA 60 HA ALA 60 13.817 18.753 -3.016 495 HB1 ALA 60 3HB ALA 60 14.518 19.367 -5.343 496 HB2 ALA 60 1HB ALA 60 15.647 18.184 -4.662 497 HB3 ALA 60 2HB ALA 60 14.438 17.666 -5.857 498 H ALA 61 H ALA 61 11.896 16.470 -4.911 499 HA ALA 61 HA ALA 61 9.986 18.307 -6.036 500 HB1 ALA 61 3HB ALA 61 9.728 15.355 -5.243 501 HB2 ALA 61 1HB ALA 61 8.550 16.210 -6.256 502 HB3 ALA 61 2HB ALA 61 10.225 16.004 -6.817 503 H TYR 62 H TYR 62 10.036 17.226 -2.784 504 HA TYR 62 HA TYR 62 7.286 17.608 -1.951 505 HB2 TYR 62 1HB TYR 62 9.214 16.719 -0.490 506 HB3 TYR 62 2HB TYR 62 9.760 18.355 -0.282 507 HD1 TYR 62 HD1 TYR 62 6.373 16.525 -0.056 508 HD2 TYR 62 HD2 TYR 62 9.195 19.140 1.919 509 HE1 TYR 62 HE1 TYR 62 4.892 16.685 1.915 510 HE2 TYR 62 HE2 TYR 62 7.729 19.217 3.872 511 HH TYR 62 HH TYR 62 4.608 17.591 4.015 512 H THR 63 H THR 63 9.697 20.196 -2.418 513 HA THR 63 HA THR 63 7.922 22.332 -1.388 514 HB THR 63 HB THR 63 10.352 22.565 -1.463 515 HG1 THR 63 HG1 THR 63 10.157 24.766 -2.375 516 HG21 THR 63 3HG2 THR 63 11.539 23.425 -3.421 517 HG22 THR 63 1HG2 THR 63 10.911 21.833 -3.856 518 HG23 THR 63 2HG2 THR 63 10.102 23.290 -4.454 519 H ALA 64 H ALA 64 8.189 20.864 -4.546 520 HA ALA 64 HA ALA 64 6.231 22.805 -5.840 521 HB1 ALA 64 3HB ALA 64 6.555 21.362 -7.878 522 HB2 ALA 64 1HB ALA 64 8.091 21.985 -7.254 523 HB3 ALA 64 2HB ALA 64 7.642 20.289 -6.961 524 H TRP 65 H TRP 65 6.371 19.436 -4.692 525 HA TRP 65 HA TRP 65 3.605 18.708 -5.253 526 HB2 TRP 65 1HB TRP 65 5.863 17.364 -4.286 527 HB3 TRP 65 2HB TRP 65 4.951 17.522 -2.801 528 HD1 TRP 65 HD1 TRP 65 4.949 15.730 -6.235 529 HE1 TRP 65 HE1 TRP 65 3.020 13.978 -6.481 530 HE3 TRP 65 HE3 TRP 65 2.452 16.959 -1.907 531 HZ2 TRP 65 HZ2 TRP 65 0.665 13.409 -4.948 532 HZ3 TRP 65 HZ3 TRP 65 0.356 15.743 -1.370 533 HH2 TRP 65 HH2 TRP 65 -0.493 13.968 -2.891 534 H LYS 66 H LYS 66 4.965 20.238 -2.340 535 HA LYS 66 HA LYS 66 2.454 20.466 -0.832 536 HB2 LYS 66 1HB LYS 66 5.142 21.984 -0.805 537 HB3 LYS 66 2HB LYS 66 3.855 22.501 0.236 538 HG2 LYS 66 1HG LYS 66 4.916 19.598 0.220 539 HG3 LYS 66 2HG LYS 66 5.612 20.822 1.221 540 HD2 LYS 66 1HD LYS 66 2.684 19.873 1.302 541 HD3 LYS 66 2HD LYS 66 3.946 19.322 2.366 542 HE2 LYS 66 1HE LYS 66 4.235 21.637 3.348 543 HE3 LYS 66 2HE LYS 66 2.976 22.266 2.268 544 HZ1 LYS 66 3HZ LYS 66 1.468 20.427 3.201 545 HZ2 LYS 66 1HZ LYS 66 2.569 20.089 4.320 546 HZ3 LYS 66 2HZ LYS 66 1.843 21.546 4.368 547 H ALA 67 H ALA 67 3.791 22.650 -3.304 548 HA ALA 67 HA ALA 67 1.547 24.600 -3.163 549 HB1 ALA 67 3HB ALA 67 3.716 25.137 -4.272 550 HB2 ALA 67 1HB ALA 67 3.433 23.893 -5.511 551 HB3 ALA 67 2HB ALA 67 2.372 25.315 -5.410 552 H LYS 68 H LYS 68 1.941 21.527 -5.018 553 HA LYS 68 HA LYS 68 -0.694 21.837 -6.382 554 HB2 LYS 68 1HB LYS 68 1.137 19.389 -6.017 555 HB3 LYS 68 2HB LYS 68 -0.278 19.398 -7.051 556 HG2 LYS 68 1HG LYS 68 0.637 20.771 -8.701 557 HG3 LYS 68 2HG LYS 68 1.718 21.636 -7.615 558 HD2 LYS 68 1HD LYS 68 3.195 19.676 -7.344 559 HD3 LYS 68 2HD LYS 68 2.142 18.679 -8.351 560 HE2 LYS 68 1HE LYS 68 2.536 20.370 -10.299 561 HE3 LYS 68 2HE LYS 68 3.665 21.243 -9.251 562 HZ1 LYS 68 3HZ LYS 68 4.988 19.090 -9.077 563 HZ2 LYS 68 1HZ LYS 68 3.939 18.362 -10.114 564 HZ3 LYS 68 2HZ LYS 68 4.883 19.594 -10.643 565 H HIS 69 H HIS 69 0.285 19.879 -3.525 566 HA HIS 69 HA HIS 69 -2.656 19.565 -2.820 567 HB2 HIS 69 1HB HIS 69 -0.784 17.321 -3.642 568 HB3 HIS 69 2HB HIS 69 -1.459 17.058 -2.064 569 HD1 HIS 69 HD1 HIS 69 -3.045 15.096 -2.595 570 HD2 HIS 69 HD2 HIS 69 -3.566 18.474 -5.216 571 HE1 HIS 69 HE1 HIS 69 -5.177 14.823 -3.917 572 HE2 HIS 69 HE2 HIS 69 -5.665 16.777 -5.492 573 HA PRO 70 HA PRO 70 -1.365 21.050 0.964 574 HB2 PRO 70 1HB PRO 70 -3.278 20.268 2.843 575 HB3 PRO 70 2HB PRO 70 -3.614 21.262 1.412 576 HG2 PRO 70 1HG PRO 70 -3.882 18.174 1.592 577 HG3 PRO 70 2HG PRO 70 -5.166 19.346 1.147 578 HD2 PRO 70 1HD PRO 70 -3.714 18.133 -0.826 579 HD3 PRO 70 2HD PRO 70 -4.056 19.891 -0.961 580 H ASP 71 H ASP 71 -2.166 18.290 3.127 581 HA ASP 71 HA ASP 71 0.676 17.242 2.740 582 HB2 ASP 71 1HB ASP 71 -0.877 17.937 5.306 583 HB3 ASP 71 2HB ASP 71 0.048 16.477 5.316 584 H GLU 72 H GLU 72 -0.887 16.344 1.062 585 HA GLU 72 HA GLU 72 -2.190 13.803 1.904 586 HB2 GLU 72 1HB GLU 72 -2.551 15.137 -0.369 587 HB3 GLU 72 2HB GLU 72 -1.170 14.263 -0.925 588 HG2 GLU 72 1HG GLU 72 -2.539 12.096 0.054 589 HG3 GLU 72 2HG GLU 72 -3.893 13.164 -0.110 590 H LYS 73 H LYS 73 0.903 14.307 0.175 591 HA LYS 73 HA LYS 73 1.816 11.507 0.572 592 HB2 LYS 73 1HB LYS 73 2.338 12.990 -1.445 593 HB3 LYS 73 2HB LYS 73 3.398 13.940 -0.430 594 HG2 LYS 73 1HG LYS 73 4.431 11.361 0.038 595 HG3 LYS 73 2HG LYS 73 3.634 11.075 -1.471 596 HD2 LYS 73 1HD LYS 73 5.830 11.600 -2.096 597 HD3 LYS 73 2HD LYS 73 4.945 13.065 -2.464 598 HE2 LYS 73 1HE LYS 73 6.897 13.893 -1.520 599 HE3 LYS 73 2HE LYS 73 5.770 14.024 -0.168 600 HZ1 LYS 73 3HZ LYS 73 7.728 11.703 -0.502 601 HZ2 LYS 73 1HZ LYS 73 7.978 12.991 0.468 602 HZ3 LYS 73 2HZ LYS 73 6.743 11.989 0.822 603 H PHE 74 H PHE 74 3.370 10.745 1.989 604 HA PHE 74 HA PHE 74 3.627 12.179 4.592 605 HB2 PHE 74 1HB PHE 74 3.315 9.650 4.288 606 HB3 PHE 74 2HB PHE 74 4.927 9.541 3.629 607 HD1 PHE 74 HD1 PHE 74 2.896 10.163 6.689 608 HD2 PHE 74 HD2 PHE 74 6.909 9.741 5.180 609 HE1 PHE 74 HE1 PHE 74 3.754 10.004 8.994 610 HE2 PHE 74 HE2 PHE 74 7.749 9.548 7.489 611 HZ PHE 74 HZ PHE 74 6.176 9.684 9.401 612 HA PRO 75 HA PRO 75 7.562 14.143 3.235 613 HB2 PRO 75 1HB PRO 75 8.456 15.290 5.582 614 HB3 PRO 75 2HB PRO 75 6.987 15.801 4.729 615 HG2 PRO 75 1HG PRO 75 7.146 13.833 7.095 616 HG3 PRO 75 2HG PRO 75 6.138 15.303 6.986 617 HD2 PRO 75 1HD PRO 75 5.121 12.811 6.356 618 HD3 PRO 75 2HD PRO 75 4.616 14.242 5.403 619 H ALA 76 H ALA 76 7.989 11.757 2.975 620 HA ALA 76 HA ALA 76 10.121 10.540 4.503 621 HB1 ALA 76 3HB ALA 76 9.231 9.939 1.600 622 HB2 ALA 76 1HB ALA 76 10.123 8.837 2.666 623 HB3 ALA 76 2HB ALA 76 8.456 9.303 3.071 624 H PHE 77 H PHE 77 12.223 10.529 4.352 625 HA PHE 77 HA PHE 77 13.685 12.204 2.256 626 HB2 PHE 77 1HB PHE 77 15.390 12.655 3.885 627 HB3 PHE 77 2HB PHE 77 13.853 13.034 4.586 628 HD1 PHE 77 HD2 PHE 77 12.948 11.624 6.504 629 HD2 PHE 77 HD1 PHE 77 16.794 10.763 4.756 630 HE1 PHE 77 HE2 PHE 77 13.525 10.212 8.440 631 HE2 PHE 77 HE1 PHE 77 17.351 9.353 6.692 632 HZ PHE 77 HZ PHE 77 15.721 9.070 8.540 633 HA PRO 78 HA PRO 78 15.690 8.338 0.919 634 HB2 PRO 78 1HB PRO 78 17.976 9.186 -0.346 635 HB3 PRO 78 2HB PRO 78 16.339 9.625 -0.898 636 HG2 PRO 78 1HG PRO 78 18.202 11.310 0.900 637 HG3 PRO 78 2HG PRO 78 17.434 11.828 -0.624 638 HD2 PRO 78 1HD PRO 78 16.299 12.374 1.845 639 HD3 PRO 78 2HD PRO 78 15.252 12.005 0.444 640 H GLY 79 H GLY 79 15.881 7.465 2.974 641 HA2 GLY 79 1HA GLY 79 18.414 7.764 4.600 642 HA3 GLY 79 2HA GLY 79 16.979 6.859 5.059 Start of MODEL 16 1 H1 PHE 1 1H PHE 1 -10.710 8.676 -2.136 2 H2 PHE 1 2H PHE 1 -12.350 8.711 -2.118 3 HA PHE 1 HA PHE 1 -12.406 10.897 -3.112 4 HB2 PHE 1 1HB PHE 1 -11.189 10.289 -0.384 5 HB3 PHE 1 2HB PHE 1 -10.989 11.931 -0.903 6 HD1 PHE 1 HD1 PHE 1 -12.979 13.410 -1.391 7 HD2 PHE 1 HD2 PHE 1 -13.459 9.463 0.278 8 HE1 PHE 1 HE1 PHE 1 -15.230 14.009 -0.599 9 HE2 PHE 1 HE2 PHE 1 -15.706 10.086 1.071 10 HZ PHE 1 HZ PHE 1 -16.596 12.356 0.640 11 H ASN 2 H ASN 2 -11.412 12.711 -3.794 12 HA ASN 2 HA ASN 2 -8.903 12.291 -5.290 13 HB2 ASN 2 1HB ASN 2 -11.000 13.769 -5.933 14 HB3 ASN 2 2HB ASN 2 -10.262 15.039 -4.980 15 HD21 ASN 2 1HD2 ASN 2 -7.800 15.329 -5.702 16 HD22 ASN 2 2HD2 ASN 2 -7.573 15.225 -7.531 17 H VAL 3 H VAL 3 -9.619 14.265 -2.411 18 HA VAL 3 HA VAL 3 -6.611 14.350 -1.865 19 HB VAL 3 HB VAL 3 -7.754 16.523 -1.650 20 HG11 VAL 3 1HG1 VAL 3 -9.016 15.458 0.966 21 HG12 VAL 3 2HG1 VAL 3 -9.023 17.131 0.367 22 HG13 VAL 3 3HG1 VAL 3 -9.921 15.876 -0.505 23 HG21 VAL 3 3HG2 VAL 3 -6.354 15.487 0.895 24 HG22 VAL 3 1HG2 VAL 3 -5.555 16.040 -0.596 25 HG23 VAL 3 2HG2 VAL 3 -6.502 17.178 0.386 26 H LYS 4 H LYS 4 -5.840 12.676 -0.786 27 HA LYS 4 HA LYS 4 -7.426 11.467 1.473 28 HB2 LYS 4 1HB LYS 4 -7.467 10.136 -1.119 29 HB3 LYS 4 2HB LYS 4 -6.455 9.141 -0.108 30 HG2 LYS 4 1HG LYS 4 -9.261 10.170 0.665 31 HG3 LYS 4 2HG LYS 4 -8.972 8.651 -0.184 32 HD2 LYS 4 1HD LYS 4 -7.639 7.763 1.757 33 HD3 LYS 4 2HD LYS 4 -7.824 9.290 2.623 34 HE2 LYS 4 1HE LYS 4 -10.370 9.013 2.579 35 HE3 LYS 4 2HE LYS 4 -10.186 7.474 1.729 36 HZ1 LYS 4 3HZ LYS 4 -9.057 8.058 4.477 37 HZ2 LYS 4 1HZ LYS 4 -10.362 7.108 4.185 38 HZ3 LYS 4 2HZ LYS 4 -8.866 6.635 3.695 39 H GLN 5 H GLN 5 -6.087 11.584 3.067 40 HA GLN 5 HA GLN 5 -3.177 11.514 2.939 41 HB2 GLN 5 1HB GLN 5 -5.167 11.153 5.284 42 HB3 GLN 5 2HB GLN 5 -3.451 11.129 5.526 43 HG2 GLN 5 1HG GLN 5 -4.026 13.554 3.940 44 HG3 GLN 5 2HG GLN 5 -5.225 13.435 5.201 45 HE21 GLN 5 1HE2 GLN 5 -1.842 14.013 4.567 46 HE22 GLN 5 2HE2 GLN 5 -1.488 14.472 6.279 47 H LYS 6 H LYS 6 -1.796 10.111 4.152 48 HA LYS 6 HA LYS 6 -1.779 7.609 2.698 49 HB2 LYS 6 1HB LYS 6 0.154 9.178 4.403 50 HB3 LYS 6 2HB LYS 6 0.400 7.474 4.519 51 HG2 LYS 6 1HG LYS 6 1.795 8.132 2.815 52 HG3 LYS 6 2HG LYS 6 0.562 7.195 2.076 53 HD2 LYS 6 1HD LYS 6 0.681 10.283 2.066 54 HD3 LYS 6 2HD LYS 6 1.439 9.247 0.863 55 HE2 LYS 6 1HE LYS 6 -0.868 8.294 0.246 56 HE3 LYS 6 2HE LYS 6 -1.624 9.468 1.316 57 HZ1 LYS 6 3HZ LYS 6 0.132 10.142 -1.027 58 HZ2 LYS 6 1HZ LYS 6 -1.496 10.472 -0.921 59 HZ3 LYS 6 2HZ LYS 6 -0.463 11.259 0.075 60 H SER 7 H SER 7 -1.202 5.509 3.407 61 HA SER 7 HA SER 7 -2.448 4.563 5.996 62 HB2 SER 7 1HB SER 7 -3.752 3.858 3.280 63 HB3 SER 7 2HB SER 7 -4.131 3.068 4.826 64 HG SER 7 HG SER 7 -4.241 5.881 4.597 65 H GLU 8 H GLU 8 -0.924 3.211 6.631 66 HA GLU 8 HA GLU 8 0.494 1.354 4.629 67 HB2 GLU 8 1HB GLU 8 1.623 2.486 7.253 68 HB3 GLU 8 2HB GLU 8 2.397 1.324 6.180 69 HG2 GLU 8 1HG GLU 8 2.168 3.121 4.271 70 HG3 GLU 8 2HG GLU 8 1.723 4.266 5.533 71 H ILE 9 H ILE 9 -0.480 -0.587 4.785 72 HA ILE 9 HA ILE 9 -1.257 -1.637 7.567 73 HB ILE 9 HB ILE 9 -2.433 -2.361 4.849 74 HG12 ILE 9 1HG1 ILE 9 -3.279 -0.198 5.533 75 HG13 ILE 9 2HG1 ILE 9 -4.544 -1.394 5.652 76 HG21 ILE 9 1HG2 ILE 9 -2.462 -4.400 6.194 77 HG22 ILE 9 2HG2 ILE 9 -3.243 -3.561 7.551 78 HG23 ILE 9 3HG2 ILE 9 -4.090 -3.758 5.988 79 HD11 ILE 9 3HD1 ILE 9 -4.233 -1.444 8.204 80 HD12 ILE 9 1HD1 ILE 9 -2.983 -0.192 8.043 81 HD13 ILE 9 2HD1 ILE 9 -4.649 0.163 7.571 82 H THR 10 H THR 10 -0.750 -3.581 8.154 83 HA THR 10 HA THR 10 1.893 -4.613 7.374 84 HB THR 10 HB THR 10 -0.243 -5.434 9.448 85 HG1 THR 10 HG1 THR 10 1.090 -3.387 9.428 86 HG21 THR 10 3HG2 THR 10 1.506 -6.563 10.752 87 HG22 THR 10 1HG2 THR 10 1.225 -7.446 9.241 88 HG23 THR 10 2HG2 THR 10 2.676 -6.419 9.417 89 H ALA 11 H ALA 11 2.445 -6.747 6.833 90 HA ALA 11 HA ALA 11 1.136 -7.718 4.551 91 HB1 ALA 11 3HB ALA 11 3.202 -9.228 6.284 92 HB2 ALA 11 1HB ALA 11 2.938 -9.419 4.533 93 HB3 ALA 11 2HB ALA 11 3.586 -7.902 5.158 94 H LEU 12 H LEU 12 -0.502 -8.907 4.194 95 HA LEU 12 HA LEU 12 -1.647 -10.863 6.234 96 HB2 LEU 12 1HB LEU 12 -2.976 -8.717 5.203 97 HB3 LEU 12 2HB LEU 12 -3.074 -9.712 3.763 98 HG LEU 12 HG LEU 12 -4.267 -11.509 5.259 99 HD11 LEU 12 1HD1 LEU 12 -4.410 -9.105 7.225 100 HD12 LEU 12 2HD1 LEU 12 -5.273 -10.642 7.387 101 HD13 LEU 12 3HD1 LEU 12 -3.515 -10.604 7.529 102 HD21 LEU 12 3HD2 LEU 12 -5.478 -9.969 3.675 103 HD22 LEU 12 1HD2 LEU 12 -6.426 -10.333 5.124 104 HD23 LEU 12 2HD2 LEU 12 -5.626 -8.750 4.980 105 H VAL 13 H VAL 13 -2.725 -12.703 5.101 106 HA VAL 13 HA VAL 13 -0.979 -14.289 3.356 107 HB VAL 13 HB VAL 13 -3.021 -15.791 3.074 108 HG11 VAL 13 1HG1 VAL 13 -2.994 -16.663 5.374 109 HG12 VAL 13 2HG1 VAL 13 -1.362 -16.197 4.866 110 HG13 VAL 13 3HG1 VAL 13 -2.269 -15.163 5.989 111 HG21 VAL 13 3HG2 VAL 13 -5.034 -15.486 4.454 112 HG22 VAL 13 1HG2 VAL 13 -4.480 -13.920 5.052 113 HG23 VAL 13 2HG2 VAL 13 -4.880 -14.121 3.333 114 H LYS 14 H LYS 14 -1.494 -15.134 1.276 115 HA LYS 14 HA LYS 14 -2.256 -13.093 -0.775 116 HB2 LYS 14 1HB LYS 14 -0.506 -14.763 -1.174 117 HB3 LYS 14 2HB LYS 14 -1.602 -16.105 -0.930 118 HG2 LYS 14 1HG LYS 14 -2.887 -15.418 -3.013 119 HG3 LYS 14 2HG LYS 14 -1.812 -14.032 -3.222 120 HD2 LYS 14 1HD LYS 14 0.163 -15.581 -3.493 121 HD3 LYS 14 2HD LYS 14 -0.873 -16.984 -3.176 122 HE2 LYS 14 1HE LYS 14 -2.303 -16.388 -5.211 123 HE3 LYS 14 2HE LYS 14 -1.258 -15.003 -5.539 124 HZ1 LYS 14 3HZ LYS 14 0.671 -16.626 -5.733 125 HZ2 LYS 14 1HZ LYS 14 -0.350 -17.890 -5.515 126 HZ3 LYS 14 2HZ LYS 14 -0.482 -16.950 -6.856 127 H GLU 15 H GLU 15 -4.104 -12.917 -1.898 128 HA GLU 15 HA GLU 15 -6.641 -14.058 -1.022 129 HB2 GLU 15 1HB GLU 15 -6.007 -12.728 -3.732 130 HB3 GLU 15 2HB GLU 15 -7.608 -13.011 -3.066 131 HG2 GLU 15 1HG GLU 15 -5.502 -11.075 -1.899 132 HG3 GLU 15 2HG GLU 15 -6.908 -10.656 -2.857 133 H VAL 16 H VAL 16 -7.397 -16.021 -1.395 134 HA VAL 16 HA VAL 16 -6.591 -17.659 -3.864 135 HB VAL 16 HB VAL 16 -6.586 -18.754 -0.962 136 HG11 VAL 16 1HG1 VAL 16 -5.584 -20.815 -1.979 137 HG12 VAL 16 2HG1 VAL 16 -7.211 -20.541 -2.578 138 HG13 VAL 16 3HG1 VAL 16 -5.811 -20.159 -3.618 139 HG21 VAL 16 3HG2 VAL 16 -4.119 -19.079 -1.244 140 HG22 VAL 16 1HG2 VAL 16 -4.154 -18.269 -2.838 141 HG23 VAL 16 2HG2 VAL 16 -4.507 -17.361 -1.357 142 H THR 17 H THR 17 -8.280 -18.700 -4.790 143 HA THR 17 HA THR 17 -11.019 -18.288 -3.731 144 HB THR 17 HB THR 17 -10.195 -19.840 -6.256 145 HG1 THR 17 HG1 THR 17 -11.026 -17.156 -5.940 146 HG21 THR 17 3HG2 THR 17 -12.465 -19.241 -7.060 147 HG22 THR 17 1HG2 THR 17 -12.621 -20.224 -5.592 148 HG23 THR 17 2HG2 THR 17 -12.872 -18.470 -5.510 149 HA PRO 18 HA PRO 18 -11.351 -22.961 -2.722 150 HB2 PRO 18 1HB PRO 18 -9.232 -24.751 -2.951 151 HB3 PRO 18 2HB PRO 18 -10.254 -24.281 -4.323 152 HG2 PRO 18 1HG PRO 18 -7.533 -23.060 -3.534 153 HG3 PRO 18 2HG PRO 18 -7.984 -23.737 -5.124 154 HD2 PRO 18 1HD PRO 18 -8.154 -21.027 -4.604 155 HD3 PRO 18 2HD PRO 18 -9.367 -21.801 -5.642 156 HA PRO 19 HA PRO 19 -9.831 -22.366 1.468 157 HB2 PRO 19 1HB PRO 19 -10.261 -24.761 2.801 158 HB3 PRO 19 2HB PRO 19 -11.552 -23.727 2.148 159 HG2 PRO 19 1HG PRO 19 -10.261 -26.160 0.750 160 HG3 PRO 19 2HG PRO 19 -12.000 -25.903 1.067 161 HD2 PRO 19 1HD PRO 19 -10.937 -25.223 -1.369 162 HD3 PRO 19 2HD PRO 19 -12.131 -24.124 -0.608 163 H ARG 20 H ARG 20 -7.731 -22.035 0.508 164 HA ARG 20 HA ARG 20 -5.547 -23.635 1.918 165 HB2 ARG 20 1HB ARG 20 -6.223 -23.880 -0.887 166 HB3 ARG 20 2HB ARG 20 -4.914 -22.751 -0.915 167 HG2 ARG 20 1HG ARG 20 -3.952 -24.851 -1.227 168 HG3 ARG 20 2HG ARG 20 -3.469 -24.424 0.405 169 HD2 ARG 20 1HD ARG 20 -5.237 -25.976 1.373 170 HD3 ARG 20 2HD ARG 20 -5.964 -26.167 -0.195 171 HE ARG 20 HE ARG 20 -4.254 -27.688 -0.928 172 HH11 ARG 20 2HH2 ARG 20 -3.389 -26.430 2.191 173 HH12 ARG 20 1HH2 ARG 20 -2.133 -27.737 2.445 174 HH21 ARG 20 2HH1 ARG 20 -2.840 -29.146 -0.614 175 HH22 ARG 20 1HH1 ARG 20 -1.852 -29.190 0.911 176 H LYS 21 H LYS 21 -3.878 -22.385 2.684 177 HA LYS 21 HA LYS 21 -3.942 -19.380 2.018 178 HB2 LYS 21 1HB LYS 21 -3.256 -20.664 4.728 179 HB3 LYS 21 2HB LYS 21 -3.100 -18.965 4.341 180 HG2 LYS 21 1HG LYS 21 -5.727 -20.565 4.501 181 HG3 LYS 21 2HG LYS 21 -5.098 -19.401 5.656 182 HD2 LYS 21 1HD LYS 21 -5.221 -17.605 3.768 183 HD3 LYS 21 2HD LYS 21 -6.044 -18.807 2.772 184 HE2 LYS 21 1HE LYS 21 -7.860 -19.050 4.522 185 HE3 LYS 21 2HE LYS 21 -7.061 -17.842 5.543 186 HZ1 LYS 21 3HZ LYS 21 -7.401 -16.150 3.786 187 HZ2 LYS 21 1HZ LYS 21 -7.934 -17.258 2.705 188 HZ3 LYS 21 2HZ LYS 21 -8.861 -16.876 4.004 189 H ALA 22 H ALA 22 -2.289 -18.819 0.879 190 HA ALA 22 HA ALA 22 0.408 -20.174 1.161 191 HB1 ALA 22 3HB ALA 22 0.992 -18.973 -0.916 192 HB2 ALA 22 1HB ALA 22 -0.514 -19.876 -1.101 193 HB3 ALA 22 2HB ALA 22 -0.558 -18.106 -0.899 194 HA PRO 23 HA PRO 23 1.566 -16.549 3.786 195 HB2 PRO 23 1HB PRO 23 4.039 -17.346 4.677 196 HB3 PRO 23 2HB PRO 23 2.530 -18.179 5.114 197 HG2 PRO 23 1HG PRO 23 4.480 -18.962 2.855 198 HG3 PRO 23 2HG PRO 23 3.894 -20.009 4.179 199 HD2 PRO 23 1HD PRO 23 2.669 -19.995 1.689 200 HD3 PRO 23 2HD PRO 23 1.697 -20.198 3.185 201 H SER 24 H SER 24 1.447 -15.271 1.886 202 HA SER 24 HA SER 24 3.827 -14.642 0.246 203 HB2 SER 24 1HB SER 24 1.551 -14.951 -0.591 204 HB3 SER 24 2HB SER 24 0.976 -13.498 0.274 205 HG SER 24 HG SER 24 1.489 -12.880 -1.787 206 H LYS 25 H LYS 25 4.515 -12.452 -0.260 207 HA LYS 25 HA LYS 25 4.777 -10.605 2.146 208 HB2 LYS 25 1HB LYS 25 6.249 -10.816 -0.539 209 HB3 LYS 25 2HB LYS 25 6.158 -9.260 0.240 210 HG2 LYS 25 1HG LYS 25 8.184 -10.175 0.936 211 HG3 LYS 25 2HG LYS 25 7.127 -10.114 2.348 212 HD2 LYS 25 1HD LYS 25 6.652 -12.634 1.984 213 HD3 LYS 25 2HD LYS 25 7.840 -12.617 0.676 214 HE2 LYS 25 1HE LYS 25 9.647 -11.879 2.306 215 HE3 LYS 25 2HE LYS 25 8.455 -11.772 3.608 216 HZ1 LYS 25 3HZ LYS 25 8.005 -14.219 3.312 217 HZ2 LYS 25 1HZ LYS 25 9.142 -14.326 2.140 218 HZ3 LYS 25 2HZ LYS 25 9.588 -13.976 3.684 219 H ALA 26 H ALA 26 3.008 -9.430 2.450 220 HA ALA 26 HA ALA 26 1.641 -8.032 0.092 221 HB1 ALA 26 3HB ALA 26 -0.387 -8.026 1.650 222 HB2 ALA 26 1HB ALA 26 0.166 -9.668 1.255 223 HB3 ALA 26 2HB ALA 26 0.570 -8.992 2.804 224 H LYS 27 H LYS 27 1.703 -5.892 0.066 225 HA LYS 27 HA LYS 27 1.878 -4.330 2.680 226 HB2 LYS 27 1HB LYS 27 3.788 -3.827 0.292 227 HB3 LYS 27 2HB LYS 27 3.377 -2.625 1.489 228 HG2 LYS 27 1HG LYS 27 5.283 -3.332 2.430 229 HG3 LYS 27 2HG LYS 27 4.120 -4.264 3.348 230 HD2 LYS 27 1HD LYS 27 4.687 -6.095 1.308 231 HD3 LYS 27 2HD LYS 27 6.156 -5.179 1.236 232 HE2 LYS 27 1HE LYS 27 4.960 -6.535 3.771 233 HE3 LYS 27 2HE LYS 27 6.175 -7.270 2.745 234 HZ1 LYS 27 3HZ LYS 27 7.733 -5.378 3.313 235 HZ2 LYS 27 1HZ LYS 27 6.585 -4.654 4.217 236 HZ3 LYS 27 2HZ LYS 27 7.230 -6.082 4.715 237 H ARG 28 H ARG 28 0.433 -2.801 2.824 238 HA ARG 28 HA ARG 28 -1.017 -1.838 0.295 239 HB2 ARG 28 1HB ARG 28 -2.338 -1.475 2.991 240 HB3 ARG 28 2HB ARG 28 -2.997 -1.435 1.382 241 HG2 ARG 28 1HG ARG 28 -2.485 -4.002 1.238 242 HG3 ARG 28 2HG ARG 28 -2.108 -3.946 2.948 243 HD2 ARG 28 1HD ARG 28 -4.403 -3.204 3.541 244 HD3 ARG 28 2HD ARG 28 -4.829 -3.007 1.818 245 HE ARG 28 HE ARG 28 -3.802 -5.734 2.276 246 HH11 ARG 28 2HH2 ARG 28 -6.687 -3.849 2.746 247 HH12 ARG 28 1HH2 ARG 28 -7.748 -5.337 2.633 248 HH21 ARG 28 2HH1 ARG 28 -5.020 -7.383 2.194 249 HH22 ARG 28 1HH1 ARG 28 -6.825 -7.241 2.327 250 H GLU 29 H GLU 29 -0.344 0.181 -0.123 251 HA GLU 29 HA GLU 29 0.720 2.061 2.010 252 HB2 GLU 29 1HB GLU 29 2.614 0.681 -0.017 253 HB3 GLU 29 2HB GLU 29 2.975 2.254 0.706 254 HG2 GLU 29 1HG GLU 29 2.970 1.291 3.009 255 HG3 GLU 29 2HG GLU 29 2.462 -0.286 2.414 256 H ALA 30 H ALA 30 -0.047 3.942 1.361 257 HA ALA 30 HA ALA 30 -0.953 4.424 -1.468 258 HB1 ALA 30 3HB ALA 30 -1.291 5.935 1.200 259 HB2 ALA 30 1HB ALA 30 -2.109 6.379 -0.301 260 HB3 ALA 30 2HB ALA 30 -2.457 4.817 0.441 261 HA PRO 31 HA PRO 31 2.786 7.205 -1.836 262 HB2 PRO 31 1HB PRO 31 3.401 6.959 -4.440 263 HB3 PRO 31 2HB PRO 31 3.525 5.605 -3.304 264 HG2 PRO 31 1HG PRO 31 1.149 6.178 -5.207 265 HG3 PRO 31 2HG PRO 31 2.092 4.666 -5.091 266 HD2 PRO 31 1HD PRO 31 -0.283 5.040 -3.682 267 HD3 PRO 31 2HD PRO 31 1.064 4.078 -3.002 268 H ILE 32 H ILE 32 1.633 8.151 -4.932 269 HA ILE 32 HA ILE 32 0.793 10.862 -3.784 270 HB ILE 32 HB ILE 32 1.951 11.941 -5.759 271 HG12 ILE 32 1HG1 ILE 32 3.763 9.464 -5.824 272 HG13 ILE 32 2HG1 ILE 32 2.505 9.698 -7.017 273 HG21 ILE 32 1HG2 ILE 32 2.675 11.934 -3.313 274 HG22 ILE 32 2HG2 ILE 32 3.857 10.659 -3.691 275 HG23 ILE 32 3HG2 ILE 32 3.970 12.256 -4.460 276 HD11 ILE 32 3HD1 ILE 32 3.567 11.760 -7.879 277 HD12 ILE 32 1HD1 ILE 32 4.691 11.836 -6.538 278 HD13 ILE 32 2HD1 ILE 32 4.852 10.532 -7.698 279 H LYS 33 H LYS 33 -0.903 11.790 -4.589 280 HA LYS 33 HA LYS 33 -2.616 10.566 -6.642 281 HB2 LYS 33 1HB LYS 33 -3.198 12.086 -4.507 282 HB3 LYS 33 2HB LYS 33 -2.862 13.441 -5.542 283 HG2 LYS 33 1HG LYS 33 -5.209 13.115 -5.552 284 HG3 LYS 33 2HG LYS 33 -4.680 12.650 -7.146 285 HD2 LYS 33 1HD LYS 33 -6.400 11.087 -6.329 286 HD3 LYS 33 2HD LYS 33 -4.904 10.281 -6.692 287 HE2 LYS 33 1HE LYS 33 -5.811 9.271 -4.747 288 HE3 LYS 33 2HE LYS 33 -4.314 10.079 -4.278 289 HZ1 LYS 33 3HZ LYS 33 -5.594 11.086 -2.651 290 HZ2 LYS 33 1HZ LYS 33 -6.228 12.019 -3.805 291 HZ3 LYS 33 2HZ LYS 33 -7.060 10.692 -3.369 292 H TYR 34 H TYR 34 -0.196 12.938 -6.886 293 HA TYR 34 HA TYR 34 -0.939 14.235 -9.482 294 HB2 TYR 34 1HB TYR 34 0.657 15.169 -7.749 295 HB3 TYR 34 2HB TYR 34 1.785 13.872 -8.081 296 HD1 TYR 34 HD1 TYR 34 0.211 16.967 -9.515 297 HD2 TYR 34 HD2 TYR 34 3.303 14.002 -10.007 298 HE1 TYR 34 HE1 TYR 34 1.358 18.414 -11.153 299 HE2 TYR 34 HE2 TYR 34 4.433 15.455 -11.627 300 HH TYR 34 HH TYR 34 4.305 17.365 -12.806 301 H TRP 35 H TRP 35 1.016 11.375 -8.707 302 HA TRP 35 HA TRP 35 1.464 10.775 -11.663 303 HB2 TRP 35 1HB TRP 35 3.306 10.606 -9.827 304 HB3 TRP 35 2HB TRP 35 2.502 9.147 -9.257 305 HD1 TRP 35 HD1 TRP 35 2.973 6.868 -10.778 306 HE1 TRP 35 HE1 TRP 35 4.672 6.265 -12.693 307 HE3 TRP 35 HE3 TRP 35 4.334 11.686 -11.940 308 HZ2 TRP 35 HZ2 TRP 35 6.395 7.805 -14.353 309 HZ3 TRP 35 HZ3 TRP 35 6.067 12.040 -13.686 310 HH2 TRP 35 HH2 TRP 35 7.078 10.141 -14.867 311 H LEU 36 H LEU 36 -0.208 9.236 -8.807 312 HA LEU 36 HA LEU 36 -1.568 7.338 -10.795 313 HB2 LEU 36 1HB LEU 36 -0.913 6.792 -7.847 314 HB3 LEU 36 2HB LEU 36 -1.729 5.694 -8.955 315 HG LEU 36 HG LEU 36 1.202 6.640 -9.174 316 HD11 LEU 36 1HD1 LEU 36 1.696 4.239 -8.560 317 HD12 LEU 36 2HD1 LEU 36 0.811 5.100 -7.283 318 HD13 LEU 36 3HD1 LEU 36 -0.048 3.942 -8.328 319 HD21 LEU 36 3HD2 LEU 36 1.453 4.899 -10.961 320 HD22 LEU 36 1HD2 LEU 36 -0.292 4.575 -10.940 321 HD23 LEU 36 2HD2 LEU 36 0.328 6.152 -11.475 322 HA PRO 37 HA PRO 37 -5.142 9.719 -9.274 323 HB2 PRO 37 1HB PRO 37 -7.257 8.415 -10.556 324 HB3 PRO 37 2HB PRO 37 -6.080 9.483 -11.345 325 HG2 PRO 37 1HG PRO 37 -5.946 6.408 -11.181 326 HG3 PRO 37 2HG PRO 37 -5.839 7.418 -12.646 327 HD2 PRO 37 1HD PRO 37 -3.561 6.520 -11.405 328 HD3 PRO 37 2HD PRO 37 -3.597 8.191 -12.062 329 H HIS 38 H HIS 38 -4.931 6.372 -8.494 330 HA HIS 38 HA HIS 38 -6.569 6.914 -5.941 331 HB2 HIS 38 1HB HIS 38 -7.571 5.221 -7.586 332 HB3 HIS 38 2HB HIS 38 -6.190 4.178 -7.329 333 HD1 HIS 38 HD1 HIS 38 -9.588 4.273 -6.278 334 HD2 HIS 38 HD2 HIS 38 -5.847 3.897 -4.209 335 HE1 HIS 38 HE1 HIS 38 -9.950 3.070 -4.019 336 HE2 HIS 38 HE2 HIS 38 -7.717 2.716 -2.743 337 H SER 39 H SER 39 -4.993 7.429 -4.527 338 HA SER 39 HA SER 39 -2.367 5.920 -4.377 339 HB2 SER 39 1HB SER 39 -3.339 8.143 -2.481 340 HB3 SER 39 2HB SER 39 -1.723 7.455 -2.603 341 HG SER 39 HG SER 39 -1.735 8.221 -4.854 342 H GLY 40 H GLY 40 -2.595 3.946 -3.521 343 HA2 GLY 40 1HA GLY 40 -2.871 2.929 -1.052 344 HA3 GLY 40 2HA GLY 40 -4.557 3.389 -1.222 345 H ALA 41 H ALA 41 -2.038 1.348 -2.468 346 HA ALA 41 HA ALA 41 -4.144 -0.568 -3.633 347 HB1 ALA 41 3HB ALA 41 -2.922 0.752 -5.411 348 HB2 ALA 41 1HB ALA 41 -1.374 0.064 -4.868 349 HB3 ALA 41 2HB ALA 41 -2.640 -0.987 -5.541 350 H THR 42 H THR 42 -3.950 -2.628 -3.115 351 HA THR 42 HA THR 42 -1.772 -3.566 -1.223 352 HB THR 42 HB THR 42 -4.025 -3.879 -0.480 353 HG1 THR 42 HG1 THR 42 -3.117 -6.435 -1.164 354 HG21 THR 42 3HG2 THR 42 -5.384 -4.319 -2.538 355 HG22 THR 42 1HG2 THR 42 -4.544 -5.858 -2.797 356 HG23 THR 42 2HG2 THR 42 -5.545 -5.619 -1.348 357 H TRP 43 H TRP 43 -0.102 -4.723 -1.961 358 HA TRP 43 HA TRP 43 -0.473 -6.473 -4.480 359 HB2 TRP 43 1HB TRP 43 0.950 -4.330 -4.738 360 HB3 TRP 43 2HB TRP 43 2.155 -5.076 -3.690 361 HD1 TRP 43 HD1 TRP 43 1.765 -8.205 -5.285 362 HE1 TRP 43 HE1 TRP 43 2.919 -8.541 -7.607 363 HE3 TRP 43 HE3 TRP 43 2.389 -3.219 -6.411 364 HZ2 TRP 43 HZ2 TRP 43 4.056 -6.787 -9.516 365 HZ3 TRP 43 HZ3 TRP 43 3.624 -2.635 -8.498 366 HH2 TRP 43 HH2 TRP 43 4.456 -4.388 -10.002 367 H SER 44 H SER 44 -0.834 -8.399 -3.515 368 HA SER 44 HA SER 44 1.089 -9.477 -1.402 369 HB2 SER 44 1HB SER 44 -0.519 -11.150 -0.919 370 HB3 SER 44 2HB SER 44 -1.397 -9.638 -1.028 371 HG SER 44 HG SER 44 -1.113 -11.231 -3.349 372 H GLY 45 H GLY 45 2.923 -10.002 -2.512 373 HA2 GLY 45 1HA GLY 45 3.430 -12.535 -3.502 374 HA3 GLY 45 2HA GLY 45 2.837 -11.813 -4.990 375 H ARG 46 H ARG 46 3.958 -9.847 -5.679 376 HA ARG 46 HA ARG 46 6.957 -10.017 -5.345 377 HB2 ARG 46 1HB ARG 46 6.030 -9.741 -7.596 378 HB3 ARG 46 2HB ARG 46 5.181 -8.280 -7.169 379 HG2 ARG 46 1HG ARG 46 8.261 -8.465 -7.127 380 HG3 ARG 46 2HG ARG 46 7.295 -8.150 -8.563 381 HD2 ARG 46 1HD ARG 46 6.225 -6.124 -7.209 382 HD3 ARG 46 2HD ARG 46 7.554 -6.373 -6.067 383 HE ARG 46 HE ARG 46 8.474 -6.178 -8.913 384 HH11 ARG 46 2HH2 ARG 46 7.827 -4.338 -6.036 385 HH12 ARG 46 1HH2 ARG 46 8.608 -2.842 -6.741 386 HH21 ARG 46 2HH1 ARG 46 9.400 -4.488 -9.649 387 HH22 ARG 46 1HH1 ARG 46 9.463 -2.950 -8.683 388 H GLY 47 H GLY 47 8.125 -8.499 -4.341 389 HA2 GLY 47 1HA GLY 47 6.898 -7.125 -1.996 390 HA3 GLY 47 2HA GLY 47 8.592 -7.107 -2.408 391 H LYS 48 H LYS 48 5.527 -5.535 -3.054 392 HA LYS 48 HA LYS 48 6.895 -3.083 -4.180 393 HB2 LYS 48 1HB LYS 48 4.820 -3.932 -5.131 394 HB3 LYS 48 2HB LYS 48 3.961 -3.774 -3.615 395 HG2 LYS 48 1HG LYS 48 5.298 -1.302 -4.879 396 HG3 LYS 48 2HG LYS 48 3.870 -1.919 -5.631 397 HD2 LYS 48 1HD LYS 48 4.054 -1.056 -2.699 398 HD3 LYS 48 2HD LYS 48 3.532 -0.031 -4.030 399 HE2 LYS 48 1HE LYS 48 1.498 -1.361 -4.404 400 HE3 LYS 48 2HE LYS 48 2.034 -2.631 -3.305 401 HZ1 LYS 48 3HZ LYS 48 1.561 0.197 -2.352 402 HZ2 LYS 48 1HZ LYS 48 0.463 -1.027 -2.213 403 HZ3 LYS 48 2HZ LYS 48 1.908 -1.113 -1.422 404 H ILE 49 H ILE 49 8.192 -2.459 -2.435 405 HA ILE 49 HA ILE 49 6.667 -1.004 -0.208 406 HB ILE 49 HB ILE 49 9.708 -1.521 -0.166 407 HG12 ILE 49 1HG1 ILE 49 9.018 -2.996 1.932 408 HG13 ILE 49 2HG1 ILE 49 7.434 -3.136 1.162 409 HG21 ILE 49 1HG2 ILE 49 9.464 -0.727 2.203 410 HG22 ILE 49 2HG2 ILE 49 8.847 0.493 1.097 411 HG23 ILE 49 3HG2 ILE 49 7.690 -0.511 1.987 412 HD11 ILE 49 3HD1 ILE 49 10.171 -4.002 -0.043 413 HD12 ILE 49 1HD1 ILE 49 8.949 -5.090 0.648 414 HD13 ILE 49 2HD1 ILE 49 8.623 -4.237 -0.861 415 HA PRO 50 HA PRO 50 8.246 2.274 -3.178 416 HB2 PRO 50 1HB PRO 50 6.212 4.124 -2.985 417 HB3 PRO 50 2HB PRO 50 5.980 2.543 -3.759 418 HG2 PRO 50 1HG PRO 50 5.181 3.368 -0.903 419 HG3 PRO 50 2HG PRO 50 4.203 2.480 -2.098 420 HD2 PRO 50 1HD PRO 50 5.810 1.328 -0.028 421 HD3 PRO 50 2HD PRO 50 5.203 0.403 -1.428 422 H LYS 51 H LYS 51 9.440 1.924 -0.804 423 HA LYS 51 HA LYS 51 9.843 4.573 0.569 424 HB2 LYS 51 1HB LYS 51 10.826 1.806 1.083 425 HB3 LYS 51 2HB LYS 51 12.153 2.913 1.086 426 HG2 LYS 51 1HG LYS 51 11.516 2.822 3.284 427 HG3 LYS 51 2HG LYS 51 10.967 4.400 2.782 428 HD2 LYS 51 1HD LYS 51 9.241 1.859 3.165 429 HD3 LYS 51 2HD LYS 51 9.467 3.139 4.337 430 HE2 LYS 51 1HE LYS 51 8.324 4.814 2.826 431 HE3 LYS 51 2HE LYS 51 8.086 3.571 1.600 432 HZ1 LYS 51 3HZ LYS 51 6.870 3.407 4.365 433 HZ2 LYS 51 1HZ LYS 51 6.079 3.693 2.996 434 HZ3 LYS 51 2HZ LYS 51 6.730 2.249 3.226 435 HA PRO 52 HA PRO 52 13.559 5.319 -2.358 436 HB2 PRO 52 1HB PRO 52 13.930 3.786 -4.655 437 HB3 PRO 52 2HB PRO 52 14.666 3.435 -3.075 438 HG2 PRO 52 1HG PRO 52 12.064 2.225 -4.206 439 HG3 PRO 52 2HG PRO 52 13.472 1.338 -3.564 440 HD2 PRO 52 1HD PRO 52 11.292 1.839 -1.987 441 HD3 PRO 52 2HD PRO 52 12.927 1.958 -1.269 442 H PHE 53 H PHE 53 10.416 4.399 -3.593 443 HA PHE 53 HA PHE 53 10.412 6.498 -5.771 444 HB2 PHE 53 1HB PHE 53 9.123 4.461 -6.184 445 HB3 PHE 53 2HB PHE 53 8.159 4.693 -4.738 446 HD1 PHE 53 HD2 PHE 53 9.026 6.440 -8.020 447 HD2 PHE 53 HD1 PHE 53 6.156 6.041 -4.842 448 HE1 PHE 53 HE2 PHE 53 7.403 7.786 -9.309 449 HE2 PHE 53 HE1 PHE 53 4.540 7.371 -6.152 450 HZ PHE 53 HZ PHE 53 5.149 8.214 -8.402 451 H GLU 54 H GLU 54 8.574 6.109 -2.640 452 HA GLU 54 HA GLU 54 7.650 8.923 -2.771 453 HB2 GLU 54 1HB GLU 54 6.371 7.049 -1.714 454 HB3 GLU 54 2HB GLU 54 7.529 6.968 -0.392 455 HG2 GLU 54 1HG GLU 54 6.946 9.236 0.357 456 HG3 GLU 54 2HG GLU 54 6.029 9.548 -1.145 457 H ALA 55 H ALA 55 10.593 7.564 -1.640 458 HA ALA 55 HA ALA 55 11.503 9.983 -0.095 459 HB1 ALA 55 3HB ALA 55 12.453 7.786 0.510 460 HB2 ALA 55 1HB ALA 55 13.085 7.545 -1.138 461 HB3 ALA 55 2HB ALA 55 13.718 8.852 -0.130 462 H TRP 56 H TRP 56 12.230 8.624 -3.444 463 HA TRP 56 HA TRP 56 13.744 11.098 -4.124 464 HB2 TRP 56 1HB TRP 56 13.848 8.643 -5.298 465 HB3 TRP 56 2HB TRP 56 12.633 9.331 -6.366 466 HD1 TRP 56 HD1 TRP 56 16.380 9.599 -5.329 467 HE1 TRP 56 HE1 TRP 56 17.776 11.271 -6.798 468 HE3 TRP 56 HE3 TRP 56 12.422 11.581 -7.955 469 HZ2 TRP 56 HZ2 TRP 56 17.097 13.211 -8.754 470 HZ3 TRP 56 HZ3 TRP 56 12.884 13.400 -9.582 471 HH2 TRP 56 HH2 TRP 56 15.169 14.204 -9.967 472 H ILE 57 H ILE 57 10.386 10.078 -4.653 473 HA ILE 57 HA ILE 57 9.504 12.730 -5.730 474 HB ILE 57 HB ILE 57 8.115 10.243 -4.620 475 HG12 ILE 57 1HG1 ILE 57 8.949 10.013 -6.876 476 HG13 ILE 57 2HG1 ILE 57 7.219 9.910 -6.762 477 HG21 ILE 57 1HG2 ILE 57 6.483 12.671 -5.398 478 HG22 ILE 57 2HG2 ILE 57 5.953 10.987 -5.060 479 HG23 ILE 57 3HG2 ILE 57 6.653 11.957 -3.781 480 HD11 ILE 57 3HD1 ILE 57 7.044 12.322 -7.665 481 HD12 ILE 57 1HD1 ILE 57 8.809 12.308 -7.889 482 HD13 ILE 57 2HD1 ILE 57 7.791 11.148 -8.772 483 H GLY 58 H GLY 58 10.832 12.218 -2.771 484 HA2 GLY 58 1HA GLY 58 9.489 14.784 -1.753 485 HA3 GLY 58 2HA GLY 58 10.035 13.561 -0.622 486 H THR 59 H THR 59 12.618 13.086 -2.022 487 HA THR 59 HA THR 59 14.300 14.687 -0.509 488 HB THR 59 HB THR 59 14.991 13.631 -3.327 489 HG1 THR 59 HG1 THR 59 15.207 11.764 -2.382 490 HG21 THR 59 3HG2 THR 59 17.309 13.299 -2.407 491 HG22 THR 59 1HG2 THR 59 16.908 15.026 -2.446 492 HG23 THR 59 2HG2 THR 59 16.860 14.138 -0.905 493 H ALA 60 H ALA 60 13.348 15.580 -3.726 494 HA ALA 60 HA ALA 60 13.922 18.511 -3.116 495 HB1 ALA 60 3HB ALA 60 15.692 17.792 -4.768 496 HB2 ALA 60 1HB ALA 60 14.440 17.256 -5.912 497 HB3 ALA 60 2HB ALA 60 14.595 18.979 -5.493 498 H ALA 61 H ALA 61 11.842 16.218 -4.815 499 HA ALA 61 HA ALA 61 9.987 18.152 -5.967 500 HB1 ALA 61 3HB ALA 61 10.161 15.871 -6.816 501 HB2 ALA 61 1HB ALA 61 9.702 15.185 -5.244 502 HB3 ALA 61 2HB ALA 61 8.505 16.083 -6.196 503 H TYR 62 H TYR 62 10.091 17.017 -2.722 504 HA TYR 62 HA TYR 62 7.378 17.376 -1.814 505 HB2 TYR 62 1HB TYR 62 9.296 16.523 -0.409 506 HB3 TYR 62 2HB TYR 62 9.938 18.143 -0.291 507 HD1 TYR 62 HD1 TYR 62 6.543 16.434 0.241 508 HD2 TYR 62 HD2 TYR 62 9.513 19.104 1.854 509 HE1 TYR 62 HE1 TYR 62 5.188 16.731 2.281 510 HE2 TYR 62 HE2 TYR 62 8.163 19.377 3.877 511 HH TYR 62 HH TYR 62 6.335 18.668 5.004 512 H THR 63 H THR 63 9.758 20.009 -2.213 513 HA THR 63 HA THR 63 7.903 22.124 -1.269 514 HB THR 63 HB THR 63 10.307 22.391 -1.149 515 HG1 THR 63 HG1 THR 63 10.172 24.570 -2.250 516 HG21 THR 63 3HG2 THR 63 11.665 23.229 -3.023 517 HG22 THR 63 1HG2 THR 63 11.118 21.595 -3.419 518 HG23 THR 63 2HG2 THR 63 10.334 22.996 -4.182 519 H ALA 64 H ALA 64 8.314 20.651 -4.394 520 HA ALA 64 HA ALA 64 6.487 22.616 -5.829 521 HB1 ALA 64 3HB ALA 64 6.770 20.941 -7.761 522 HB2 ALA 64 1HB ALA 64 8.298 21.643 -7.192 523 HB3 ALA 64 2HB ALA 64 7.853 19.976 -6.732 524 H TRP 65 H TRP 65 6.394 19.300 -4.559 525 HA TRP 65 HA TRP 65 3.631 18.672 -5.256 526 HB2 TRP 65 1HB TRP 65 5.800 17.262 -4.215 527 HB3 TRP 65 2HB TRP 65 4.870 17.467 -2.744 528 HD1 TRP 65 HD1 TRP 65 4.902 15.612 -6.127 529 HE1 TRP 65 HE1 TRP 65 2.914 13.944 -6.427 530 HE3 TRP 65 HE3 TRP 65 2.254 17.067 -1.966 531 HZ2 TRP 65 HZ2 TRP 65 0.461 13.525 -5.017 532 HZ3 TRP 65 HZ3 TRP 65 0.096 15.955 -1.489 533 HH2 TRP 65 HH2 TRP 65 -0.799 14.219 -3.011 534 H LYS 66 H LYS 66 4.898 20.180 -2.307 535 HA LYS 66 HA LYS 66 2.349 20.390 -0.845 536 HB2 LYS 66 1HB LYS 66 4.994 21.974 -0.729 537 HB3 LYS 66 2HB LYS 66 3.670 22.358 0.338 538 HG2 LYS 66 1HG LYS 66 4.936 19.540 0.159 539 HG3 LYS 66 2HG LYS 66 5.528 20.772 1.231 540 HD2 LYS 66 1HD LYS 66 2.664 19.629 1.279 541 HD3 LYS 66 2HD LYS 66 4.001 19.027 2.236 542 HE2 LYS 66 1HE LYS 66 4.243 21.268 3.409 543 HE3 LYS 66 2HE LYS 66 2.876 21.904 2.459 544 HZ1 LYS 66 3HZ LYS 66 2.076 20.939 4.651 545 HZ2 LYS 66 1HZ LYS 66 1.445 20.138 3.353 546 HZ3 LYS 66 2HZ LYS 66 2.648 19.461 4.220 547 H ALA 67 H ALA 67 3.733 22.607 -3.275 548 HA ALA 67 HA ALA 67 1.487 24.557 -3.130 549 HB1 ALA 67 3HB ALA 67 3.417 23.919 -5.459 550 HB2 ALA 67 1HB ALA 67 2.354 25.342 -5.330 551 HB3 ALA 67 2HB ALA 67 3.677 25.126 -4.175 552 H LYS 68 H LYS 68 1.856 21.492 -4.953 553 HA LYS 68 HA LYS 68 -0.753 21.912 -6.432 554 HB2 LYS 68 1HB LYS 68 0.934 19.351 -6.121 555 HB3 LYS 68 2HB LYS 68 -0.529 19.457 -7.071 556 HG2 LYS 68 1HG LYS 68 0.493 20.321 -8.878 557 HG3 LYS 68 2HG LYS 68 1.129 21.671 -7.972 558 HD2 LYS 68 1HD LYS 68 2.966 19.897 -7.090 559 HD3 LYS 68 2HD LYS 68 2.391 18.895 -8.389 560 HE2 LYS 68 1HE LYS 68 4.293 20.029 -9.281 561 HE3 LYS 68 2HE LYS 68 2.926 20.830 -10.052 562 HZ1 LYS 68 3HZ LYS 68 4.663 22.425 -8.942 563 HZ2 LYS 68 1HZ LYS 68 3.120 22.680 -8.433 564 HZ3 LYS 68 2HZ LYS 68 4.140 21.848 -7.471 565 H HIS 69 H HIS 69 0.160 20.003 -3.541 566 HA HIS 69 HA HIS 69 -2.800 19.787 -2.868 567 HB2 HIS 69 1HB HIS 69 -1.015 17.485 -3.658 568 HB3 HIS 69 2HB HIS 69 -1.622 17.269 -2.044 569 HD1 HIS 69 HD1 HIS 69 -3.433 15.441 -2.327 570 HD2 HIS 69 HD2 HIS 69 -3.638 18.563 -5.287 571 HE1 HIS 69 HE1 HIS 69 -5.534 15.188 -3.693 572 HE2 HIS 69 HE2 HIS 69 -5.753 16.986 -5.564 573 HA PRO 70 HA PRO 70 -1.567 21.475 0.806 574 HB2 PRO 70 1HB PRO 70 -3.415 20.682 2.766 575 HB3 PRO 70 2HB PRO 70 -3.788 21.671 1.340 576 HG2 PRO 70 1HG PRO 70 -4.056 18.582 1.538 577 HG3 PRO 70 2HG PRO 70 -5.337 19.758 1.100 578 HD2 PRO 70 1HD PRO 70 -3.928 18.524 -0.881 579 HD3 PRO 70 2HD PRO 70 -4.226 20.289 -1.029 580 H ASP 71 H ASP 71 -2.295 18.519 2.659 581 HA ASP 71 HA ASP 71 0.719 17.986 2.849 582 HB2 ASP 71 1HB ASP 71 -0.341 19.176 4.930 583 HB3 ASP 71 2HB ASP 71 -1.254 17.705 5.214 584 H GLU 72 H GLU 72 -1.172 16.820 1.066 585 HA GLU 72 HA GLU 72 -2.095 14.290 2.067 586 HB2 GLU 72 1HB GLU 72 -2.725 15.606 -0.202 587 HB3 GLU 72 2HB GLU 72 -1.494 14.609 -0.919 588 HG2 GLU 72 1HG GLU 72 -2.859 12.601 0.393 589 HG3 GLU 72 2HG GLU 72 -4.164 13.750 0.280 590 H LYS 73 H LYS 73 1.004 14.888 0.561 591 HA LYS 73 HA LYS 73 1.742 11.942 0.231 592 HB2 LYS 73 1HB LYS 73 2.200 13.383 -1.602 593 HB3 LYS 73 2HB LYS 73 2.978 14.617 -0.632 594 HG2 LYS 73 1HG LYS 73 4.229 11.817 -0.859 595 HG3 LYS 73 2HG LYS 73 4.336 12.978 -2.181 596 HD2 LYS 73 1HD LYS 73 5.277 14.746 -0.734 597 HD3 LYS 73 2HD LYS 73 5.289 13.705 0.675 598 HE2 LYS 73 1HE LYS 73 6.861 13.153 -1.936 599 HE3 LYS 73 2HE LYS 73 7.526 13.983 -0.542 600 HZ1 LYS 73 3HZ LYS 73 7.980 11.452 -0.471 601 HZ2 LYS 73 1HZ LYS 73 7.074 11.971 0.853 602 HZ3 LYS 73 2HZ LYS 73 6.356 11.224 -0.364 603 H PHE 74 H PHE 74 3.390 10.962 1.468 604 HA PHE 74 HA PHE 74 3.532 12.086 4.221 605 HB2 PHE 74 1HB PHE 74 3.125 9.617 3.535 606 HB3 PHE 74 2HB PHE 74 4.828 9.476 3.206 607 HD1 PHE 74 HD1 PHE 74 2.219 9.985 5.812 608 HD2 PHE 74 HD2 PHE 74 6.449 9.486 5.174 609 HE1 PHE 74 HE1 PHE 74 2.543 9.571 8.226 610 HE2 PHE 74 HE2 PHE 74 6.755 9.067 7.583 611 HZ PHE 74 HZ PHE 74 4.808 9.106 9.112 612 HA PRO 75 HA PRO 75 7.595 13.999 3.391 613 HB2 PRO 75 1HB PRO 75 8.295 14.900 5.910 614 HB3 PRO 75 2HB PRO 75 6.909 15.523 4.984 615 HG2 PRO 75 1HG PRO 75 6.834 13.312 7.143 616 HG3 PRO 75 2HG PRO 75 5.873 14.820 7.114 617 HD2 PRO 75 1HD PRO 75 4.819 12.466 6.117 618 HD3 PRO 75 2HD PRO 75 4.497 14.010 5.262 619 H ALA 76 H ALA 76 8.075 11.702 2.902 620 HA ALA 76 HA ALA 76 10.074 10.311 4.548 621 HB1 ALA 76 3HB ALA 76 9.112 9.784 1.654 622 HB2 ALA 76 1HB ALA 76 10.015 8.641 2.667 623 HB3 ALA 76 2HB ALA 76 8.379 9.137 3.151 624 H PHE 77 H PHE 77 12.172 10.158 4.386 625 HA PHE 77 HA PHE 77 13.744 11.809 2.348 626 HB2 PHE 77 1HB PHE 77 15.451 12.082 3.992 627 HB3 PHE 77 2HB PHE 77 13.959 12.401 4.803 628 HD1 PHE 77 HD2 PHE 77 13.066 10.688 6.529 629 HD2 PHE 77 HD1 PHE 77 16.889 10.152 4.609 630 HE1 PHE 77 HE2 PHE 77 13.659 8.946 8.167 631 HE2 PHE 77 HE1 PHE 77 17.462 8.412 6.235 632 HZ PHE 77 HZ PHE 77 15.850 7.799 8.029 633 HA PRO 78 HA PRO 78 15.545 7.859 0.845 634 HB2 PRO 78 1HB PRO 78 17.941 8.615 -0.274 635 HB3 PRO 78 2HB PRO 78 16.360 9.144 -0.891 636 HG2 PRO 78 1HG PRO 78 18.255 10.701 0.967 637 HG3 PRO 78 2HG PRO 78 17.478 11.294 -0.526 638 HD2 PRO 78 1HD PRO 78 16.448 11.749 2.037 639 HD3 PRO 78 2HD PRO 78 15.377 11.634 0.612 640 H GLY 79 H GLY 79 15.884 6.470 2.422 641 HA2 GLY 79 1HA GLY 79 18.610 6.129 3.694 642 HA3 GLY 79 2HA GLY 79 17.311 6.580 4.812 Start of MODEL 17 1 H1 PHE 1 1H PHE 1 -14.425 13.697 -1.095 2 H2 PHE 1 2H PHE 1 -14.323 15.214 -0.489 3 HA PHE 1 HA PHE 1 -12.169 15.566 -1.507 4 HB2 PHE 1 1HB PHE 1 -12.787 13.700 0.740 5 HB3 PHE 1 2HB PHE 1 -11.327 13.185 -0.027 6 HD1 PHE 1 HD1 PHE 1 -9.520 15.082 -0.576 7 HD2 PHE 1 HD2 PHE 1 -12.553 15.393 2.458 8 HE1 PHE 1 HE1 PHE 1 -8.067 16.603 0.731 9 HE2 PHE 1 HE2 PHE 1 -11.112 16.927 3.734 10 HZ PHE 1 HZ PHE 1 -8.865 17.530 2.877 11 H ASN 2 H ASN 2 -11.322 15.174 -3.422 12 HA ASN 2 HA ASN 2 -11.190 12.482 -4.731 13 HB2 ASN 2 1HB ASN 2 -11.082 14.824 -5.921 14 HB3 ASN 2 2HB ASN 2 -9.436 14.952 -5.386 15 HD21 ASN 2 1HD2 ASN 2 -7.973 14.099 -6.859 16 HD22 ASN 2 2HD2 ASN 2 -8.481 12.947 -8.199 17 H VAL 3 H VAL 3 -8.929 14.403 -2.828 18 HA VAL 3 HA VAL 3 -6.760 12.305 -3.037 19 HB VAL 3 HB VAL 3 -6.375 14.769 -3.612 20 HG11 VAL 3 1HG1 VAL 3 -7.444 15.978 -1.785 21 HG12 VAL 3 2HG1 VAL 3 -6.479 15.157 -0.562 22 HG13 VAL 3 3HG1 VAL 3 -5.699 16.283 -1.671 23 HG21 VAL 3 3HG2 VAL 3 -4.491 13.422 -3.569 24 HG22 VAL 3 1HG2 VAL 3 -4.043 14.740 -2.482 25 HG23 VAL 3 2HG2 VAL 3 -4.506 13.166 -1.834 26 H LYS 4 H LYS 4 -5.574 11.707 -0.971 27 HA LYS 4 HA LYS 4 -6.994 12.023 1.573 28 HB2 LYS 4 1HB LYS 4 -8.246 10.121 0.058 29 HB3 LYS 4 2HB LYS 4 -6.966 9.073 0.649 30 HG2 LYS 4 1HG LYS 4 -7.713 9.622 3.050 31 HG3 LYS 4 2HG LYS 4 -8.897 10.761 2.394 32 HD2 LYS 4 1HD LYS 4 -9.845 8.731 0.982 33 HD3 LYS 4 2HD LYS 4 -8.768 7.714 1.915 34 HE2 LYS 4 1HE LYS 4 -10.881 7.500 2.993 35 HE3 LYS 4 2HE LYS 4 -9.943 8.519 4.083 36 HZ1 LYS 4 3HZ LYS 4 -12.251 9.452 3.623 37 HZ2 LYS 4 1HZ LYS 4 -11.101 10.512 3.120 38 HZ3 LYS 4 2HZ LYS 4 -11.898 9.597 2.026 39 H GLN 5 H GLN 5 -5.770 11.549 3.318 40 HA GLN 5 HA GLN 5 -3.019 11.269 3.290 41 HB2 GLN 5 1HB GLN 5 -5.141 10.715 5.453 42 HB3 GLN 5 2HB GLN 5 -3.502 10.323 5.843 43 HG2 GLN 5 1HG GLN 5 -3.832 12.470 6.685 44 HG3 GLN 5 2HG GLN 5 -2.696 12.624 5.359 45 HE21 GLN 5 1HE2 GLN 5 -3.103 14.725 4.751 46 HE22 GLN 5 2HE2 GLN 5 -4.757 15.203 4.110 47 H LYS 6 H LYS 6 -1.738 9.701 4.703 48 HA LYS 6 HA LYS 6 -1.363 7.405 2.865 49 HB2 LYS 6 1HB LYS 6 0.382 8.903 4.769 50 HB3 LYS 6 2HB LYS 6 0.635 7.192 4.876 51 HG2 LYS 6 1HG LYS 6 2.189 7.882 3.311 52 HG3 LYS 6 2HG LYS 6 1.004 7.008 2.403 53 HD2 LYS 6 1HD LYS 6 1.358 10.064 2.509 54 HD3 LYS 6 2HD LYS 6 1.963 8.970 1.275 55 HE2 LYS 6 1HE LYS 6 -0.527 8.266 0.826 56 HE3 LYS 6 2HE LYS 6 -1.006 9.626 1.840 57 HZ1 LYS 6 3HZ LYS 6 -0.885 10.340 -0.496 58 HZ2 LYS 6 1HZ LYS 6 0.255 11.114 0.412 59 HZ3 LYS 6 2HZ LYS 6 0.712 9.870 -0.612 60 H SER 7 H SER 7 -1.756 5.374 3.109 61 HA SER 7 HA SER 7 -3.017 4.368 5.740 62 HB2 SER 7 1HB SER 7 -3.825 3.790 2.814 63 HB3 SER 7 2HB SER 7 -4.423 2.888 4.209 64 HG SER 7 HG SER 7 -5.829 4.578 3.736 65 H GLU 8 H GLU 8 -1.356 3.244 6.579 66 HA GLU 8 HA GLU 8 0.219 1.238 4.874 67 HB2 GLU 8 1HB GLU 8 0.909 2.617 7.539 68 HB3 GLU 8 2HB GLU 8 1.857 1.329 6.812 69 HG2 GLU 8 1HG GLU 8 2.103 2.764 4.678 70 HG3 GLU 8 2HG GLU 8 1.249 4.061 5.483 71 H ILE 9 H ILE 9 -0.933 -0.655 4.877 72 HA ILE 9 HA ILE 9 -1.909 -1.734 7.587 73 HB ILE 9 HB ILE 9 -3.351 -2.056 4.883 74 HG12 ILE 9 1HG1 ILE 9 -5.291 -1.167 6.619 75 HG13 ILE 9 2HG1 ILE 9 -3.914 -0.399 7.386 76 HG21 ILE 9 1HG2 ILE 9 -3.490 -4.216 6.145 77 HG22 ILE 9 2HG2 ILE 9 -4.028 -3.354 7.601 78 HG23 ILE 9 3HG2 ILE 9 -5.049 -3.399 6.137 79 HD11 ILE 9 3HD1 ILE 9 -4.966 1.130 5.770 80 HD12 ILE 9 1HD1 ILE 9 -3.384 0.703 5.089 81 HD13 ILE 9 2HD1 ILE 9 -4.857 -0.058 4.452 82 H THR 10 H THR 10 -1.570 -3.758 8.020 83 HA THR 10 HA THR 10 0.907 -4.838 7.227 84 HB THR 10 HB THR 10 -0.240 -4.955 9.466 85 HG1 THR 10 HG1 THR 10 0.518 -7.262 9.721 86 HG21 THR 10 3HG2 THR 10 -1.574 -7.547 8.427 87 HG22 THR 10 1HG2 THR 10 -1.575 -6.932 10.099 88 HG23 THR 10 2HG2 THR 10 -2.454 -6.056 8.827 89 H ALA 11 H ALA 11 1.474 -7.063 6.839 90 HA ALA 11 HA ALA 11 0.520 -8.026 4.265 91 HB1 ALA 11 3HB ALA 11 2.471 -9.392 6.232 92 HB2 ALA 11 1HB ALA 11 2.362 -9.658 4.474 93 HB3 ALA 11 2HB ALA 11 2.913 -8.109 5.092 94 H LEU 12 H LEU 12 -0.873 -9.580 3.765 95 HA LEU 12 HA LEU 12 -2.185 -11.241 5.962 96 HB2 LEU 12 1HB LEU 12 -3.443 -9.424 3.937 97 HB3 LEU 12 2HB LEU 12 -3.942 -11.054 3.646 98 HG LEU 12 HG LEU 12 -4.662 -11.285 6.081 99 HD11 LEU 12 1HD1 LEU 12 -3.272 -9.415 7.105 100 HD12 LEU 12 2HD1 LEU 12 -4.200 -8.212 6.186 101 HD13 LEU 12 3HD1 LEU 12 -5.000 -9.210 7.422 102 HD21 LEU 12 3HD2 LEU 12 -6.001 -9.000 4.471 103 HD22 LEU 12 1HD2 LEU 12 -6.265 -10.744 4.216 104 HD23 LEU 12 2HD2 LEU 12 -6.752 -9.990 5.740 105 H VAL 13 H VAL 13 -2.693 -13.291 5.439 106 HA VAL 13 HA VAL 13 -1.026 -14.815 3.554 107 HB VAL 13 HB VAL 13 -2.569 -16.740 4.095 108 HG11 VAL 13 1HG1 VAL 13 -1.704 -17.078 6.386 109 HG12 VAL 13 2HG1 VAL 13 -0.460 -16.374 5.339 110 HG13 VAL 13 3HG1 VAL 13 -1.295 -15.354 6.529 111 HG21 VAL 13 3HG2 VAL 13 -3.924 -14.883 6.164 112 HG22 VAL 13 1HG2 VAL 13 -4.699 -15.524 4.706 113 HG23 VAL 13 2HG2 VAL 13 -4.159 -16.627 5.992 114 H LYS 14 H LYS 14 -1.520 -15.806 1.671 115 HA LYS 14 HA LYS 14 -3.386 -14.421 -0.133 116 HB2 LYS 14 1HB LYS 14 -1.196 -15.314 -0.800 117 HB3 LYS 14 2HB LYS 14 -1.693 -16.977 -0.507 118 HG2 LYS 14 1HG LYS 14 -3.470 -16.690 -2.337 119 HG3 LYS 14 2HG LYS 14 -2.888 -15.055 -2.632 120 HD2 LYS 14 1HD LYS 14 -0.626 -15.961 -3.277 121 HD3 LYS 14 2HD LYS 14 -1.110 -17.594 -2.851 122 HE2 LYS 14 1HE LYS 14 -2.396 -15.867 -5.088 123 HE3 LYS 14 2HE LYS 14 -1.155 -17.091 -5.339 124 HZ1 LYS 14 3HZ LYS 14 -2.750 -18.807 -4.420 125 HZ2 LYS 14 1HZ LYS 14 -3.913 -17.685 -4.207 126 HZ3 LYS 14 2HZ LYS 14 -3.420 -18.069 -5.725 127 H GLU 15 H GLU 15 -5.274 -14.960 -0.980 128 HA GLU 15 HA GLU 15 -7.167 -16.759 0.086 129 HB2 GLU 15 1HB GLU 15 -6.954 -15.558 -2.762 130 HB3 GLU 15 2HB GLU 15 -8.400 -16.289 -2.096 131 HG2 GLU 15 1HG GLU 15 -8.745 -13.971 -1.875 132 HG3 GLU 15 2HG GLU 15 -8.437 -14.514 -0.246 133 H VAL 16 H VAL 16 -7.293 -18.870 0.008 134 HA VAL 16 HA VAL 16 -6.271 -20.543 -2.342 135 HB VAL 16 HB VAL 16 -5.638 -21.188 0.628 136 HG11 VAL 16 1HG1 VAL 16 -5.928 -23.281 -0.713 137 HG12 VAL 16 2HG1 VAL 16 -4.782 -22.695 -1.948 138 HG13 VAL 16 3HG1 VAL 16 -4.237 -23.051 -0.292 139 HG21 VAL 16 3HG2 VAL 16 -4.089 -19.363 -0.223 140 HG22 VAL 16 1HG2 VAL 16 -3.226 -20.881 0.038 141 HG23 VAL 16 2HG2 VAL 16 -3.653 -20.365 -1.618 142 H THR 17 H THR 17 -7.671 -22.172 -2.825 143 HA THR 17 HA THR 17 -10.343 -22.219 -1.442 144 HB THR 17 HB THR 17 -9.480 -23.777 -3.947 145 HG1 THR 17 HG1 THR 17 -9.761 -21.271 -3.633 146 HG21 THR 17 3HG2 THR 17 -11.925 -23.928 -4.373 147 HG22 THR 17 1HG2 THR 17 -11.585 -24.742 -2.831 148 HG23 THR 17 2HG2 THR 17 -12.292 -23.110 -2.845 149 HA PRO 18 HA PRO 18 -9.243 -26.647 0.001 150 HB2 PRO 18 1HB PRO 18 -6.722 -27.789 -0.330 151 HB3 PRO 18 2HB PRO 18 -8.000 -27.851 -1.561 152 HG2 PRO 18 1HG PRO 18 -5.693 -25.813 -1.385 153 HG3 PRO 18 2HG PRO 18 -6.120 -26.834 -2.788 154 HD2 PRO 18 1HD PRO 18 -7.009 -24.232 -2.572 155 HD3 PRO 18 2HD PRO 18 -8.084 -25.465 -3.275 156 HA PRO 19 HA PRO 19 -7.689 -24.966 3.812 157 HB2 PRO 19 1HB PRO 19 -7.500 -27.108 5.554 158 HB3 PRO 19 2HB PRO 19 -9.017 -26.585 4.787 159 HG2 PRO 19 1HG PRO 19 -7.124 -28.813 3.786 160 HG3 PRO 19 2HG PRO 19 -8.868 -28.971 4.145 161 HD2 PRO 19 1HD PRO 19 -8.036 -28.483 1.570 162 HD3 PRO 19 2HD PRO 19 -9.490 -27.649 2.204 163 H ARG 20 H ARG 20 -5.724 -24.377 2.594 164 HA ARG 20 HA ARG 20 -3.201 -25.111 4.153 165 HB2 ARG 20 1HB ARG 20 -3.663 -26.578 2.049 166 HB3 ARG 20 2HB ARG 20 -3.437 -25.172 1.057 167 HG2 ARG 20 1HG ARG 20 -1.176 -25.758 3.044 168 HG3 ARG 20 2HG ARG 20 -1.563 -27.071 1.977 169 HD2 ARG 20 1HD ARG 20 -1.402 -24.974 0.110 170 HD3 ARG 20 2HD ARG 20 -0.293 -24.374 1.311 171 HE ARG 20 HE ARG 20 0.020 -26.806 -0.451 172 HH11 ARG 20 2HH2 ARG 20 1.256 -25.342 2.447 173 HH12 ARG 20 1HH2 ARG 20 2.752 -26.397 2.418 174 HH21 ARG 20 2HH1 ARG 20 1.709 -27.974 -0.458 175 HH22 ARG 20 1HH1 ARG 20 2.973 -27.810 0.836 176 H LYS 21 H LYS 21 -1.767 -23.438 4.379 177 HA LYS 21 HA LYS 21 -2.554 -20.747 3.139 178 HB2 LYS 21 1HB LYS 21 -1.180 -21.359 5.818 179 HB3 LYS 21 2HB LYS 21 -1.392 -19.745 5.184 180 HG2 LYS 21 1HG LYS 21 -3.723 -21.658 5.899 181 HG3 LYS 21 2HG LYS 21 -3.017 -20.452 6.938 182 HD2 LYS 21 1HD LYS 21 -4.743 -19.194 6.241 183 HD3 LYS 21 2HD LYS 21 -3.587 -18.700 5.017 184 HE2 LYS 21 1HE LYS 21 -4.669 -20.457 3.407 185 HE3 LYS 21 2HE LYS 21 -5.811 -20.846 4.679 186 HZ1 LYS 21 3HZ LYS 21 -5.483 -18.121 3.388 187 HZ2 LYS 21 1HZ LYS 21 -6.761 -19.123 3.186 188 HZ3 LYS 21 2HZ LYS 21 -6.512 -18.408 4.639 189 H ALA 22 H ALA 22 -1.260 -19.694 1.919 190 HA ALA 22 HA ALA 22 1.682 -20.472 1.645 191 HB1 ALA 22 3HB ALA 22 1.548 -19.326 -0.556 192 HB2 ALA 22 1HB ALA 22 0.301 -20.575 -0.421 193 HB3 ALA 22 2HB ALA 22 -0.137 -18.858 -0.257 194 HA PRO 23 HA PRO 23 2.350 -16.418 3.799 195 HB2 PRO 23 1HB PRO 23 5.082 -16.440 4.086 196 HB3 PRO 23 2HB PRO 23 4.012 -17.583 4.922 197 HG2 PRO 23 1HG PRO 23 5.542 -18.073 2.290 198 HG3 PRO 23 2HG PRO 23 5.579 -19.091 3.754 199 HD2 PRO 23 1HD PRO 23 3.879 -19.654 1.633 200 HD3 PRO 23 2HD PRO 23 3.363 -19.956 3.327 201 H SER 24 H SER 24 1.463 -15.412 1.902 202 HA SER 24 HA SER 24 3.211 -14.272 -0.193 203 HB2 SER 24 1HB SER 24 0.894 -14.947 -0.563 204 HB3 SER 24 2HB SER 24 0.285 -13.617 0.464 205 HG SER 24 HG SER 24 0.352 -13.056 -1.769 206 H LYS 25 H LYS 25 4.310 -12.418 -0.164 207 HA LYS 25 HA LYS 25 4.301 -10.647 2.232 208 HB2 LYS 25 1HB LYS 25 6.187 -9.505 1.227 209 HB3 LYS 25 2HB LYS 25 6.388 -11.222 1.375 210 HG2 LYS 25 1HG LYS 25 5.405 -10.782 -1.345 211 HG3 LYS 25 2HG LYS 25 6.458 -9.459 -1.007 212 HD2 LYS 25 1HD LYS 25 7.822 -11.063 -2.015 213 HD3 LYS 25 2HD LYS 25 8.299 -11.104 -0.311 214 HE2 LYS 25 1HE LYS 25 6.834 -13.192 0.014 215 HE3 LYS 25 2HE LYS 25 6.336 -13.090 -1.682 216 HZ1 LYS 25 3HZ LYS 25 9.208 -13.433 -0.795 217 HZ2 LYS 25 1HZ LYS 25 8.278 -14.639 -1.414 218 HZ3 LYS 25 2HZ LYS 25 8.708 -13.364 -2.355 219 H ALA 26 H ALA 26 2.488 -9.455 2.406 220 HA ALA 26 HA ALA 26 1.567 -7.757 0.045 221 HB1 ALA 26 3HB ALA 26 -0.657 -7.784 1.235 222 HB2 ALA 26 1HB ALA 26 -0.069 -9.413 0.835 223 HB3 ALA 26 2HB ALA 26 0.033 -8.851 2.468 224 H LYS 27 H LYS 27 1.829 -5.693 0.117 225 HA LYS 27 HA LYS 27 1.877 -4.209 2.817 226 HB2 LYS 27 1HB LYS 27 3.905 -3.761 0.524 227 HB3 LYS 27 2HB LYS 27 3.515 -2.548 1.719 228 HG2 LYS 27 1HG LYS 27 5.338 -3.446 2.727 229 HG3 LYS 27 2HG LYS 27 4.050 -4.252 3.581 230 HD2 LYS 27 1HD LYS 27 4.579 -6.058 1.429 231 HD3 LYS 27 2HD LYS 27 6.145 -5.359 1.671 232 HE2 LYS 27 1HE LYS 27 4.378 -6.703 3.856 233 HE3 LYS 27 2HE LYS 27 5.644 -7.531 2.966 234 HZ1 LYS 27 3HZ LYS 27 7.316 -5.945 3.956 235 HZ2 LYS 27 1HZ LYS 27 6.137 -5.130 4.740 236 HZ3 LYS 27 2HZ LYS 27 6.487 -6.672 5.178 237 H ARG 28 H ARG 28 0.303 -2.832 2.915 238 HA ARG 28 HA ARG 28 -1.118 -1.881 0.372 239 HB2 ARG 28 1HB ARG 28 -2.066 -2.146 3.274 240 HB3 ARG 28 2HB ARG 28 -3.019 -1.384 1.993 241 HG2 ARG 28 1HG ARG 28 -3.100 -3.536 0.741 242 HG3 ARG 28 2HG ARG 28 -2.099 -4.338 1.936 243 HD2 ARG 28 1HD ARG 28 -3.890 -3.932 3.713 244 HD3 ARG 28 2HD ARG 28 -4.865 -3.086 2.535 245 HE ARG 28 HE ARG 28 -5.446 -5.173 1.434 246 HH11 ARG 28 2HH2 ARG 28 -2.913 -5.817 3.771 247 HH12 ARG 28 1HH2 ARG 28 -3.194 -7.603 3.647 248 HH21 ARG 28 2HH1 ARG 28 -5.716 -7.221 1.337 249 HH22 ARG 28 1HH1 ARG 28 -4.679 -8.346 2.309 250 H GLU 29 H GLU 29 -0.452 0.136 -0.054 251 HA GLU 29 HA GLU 29 0.489 2.092 2.048 252 HB2 GLU 29 1HB GLU 29 2.508 0.891 0.034 253 HB3 GLU 29 2HB GLU 29 2.731 2.460 0.787 254 HG2 GLU 29 1HG GLU 29 2.736 1.466 3.062 255 HG3 GLU 29 2HG GLU 29 2.441 -0.152 2.407 256 H ALA 30 H ALA 30 -0.248 3.969 1.398 257 HA ALA 30 HA ALA 30 -0.906 4.617 -1.488 258 HB1 ALA 30 3HB ALA 30 -1.432 5.974 1.207 259 HB2 ALA 30 1HB ALA 30 -1.759 6.787 -0.296 260 HB3 ALA 30 2HB ALA 30 -2.588 5.259 0.067 261 HA PRO 31 HA PRO 31 3.073 7.091 -1.555 262 HB2 PRO 31 1HB PRO 31 3.769 6.856 -4.141 263 HB3 PRO 31 2HB PRO 31 3.834 5.509 -3.007 264 HG2 PRO 31 1HG PRO 31 1.609 6.063 -5.072 265 HG3 PRO 31 2HG PRO 31 2.443 4.522 -4.766 266 HD2 PRO 31 1HD PRO 31 -0.033 5.234 -3.615 267 HD3 PRO 31 2HD PRO 31 1.097 4.058 -2.880 268 H ILE 32 H ILE 32 1.797 7.996 -4.661 269 HA ILE 32 HA ILE 32 0.933 10.709 -3.543 270 HB ILE 32 HB ILE 32 1.984 11.874 -5.463 271 HG12 ILE 32 1HG1 ILE 32 3.858 9.451 -5.766 272 HG13 ILE 32 2HG1 ILE 32 2.562 9.752 -6.893 273 HG21 ILE 32 1HG2 ILE 32 2.836 11.768 -3.056 274 HG22 ILE 32 2HG2 ILE 32 4.074 10.604 -3.587 275 HG23 ILE 32 3HG2 ILE 32 4.033 12.247 -4.259 276 HD11 ILE 32 3HD1 ILE 32 3.583 11.823 -7.713 277 HD12 ILE 32 1HD1 ILE 32 4.667 11.947 -6.354 278 HD13 ILE 32 2HD1 ILE 32 4.927 10.658 -7.512 279 H LYS 33 H LYS 33 -0.828 11.588 -4.479 280 HA LYS 33 HA LYS 33 -2.359 10.033 -6.555 281 HB2 LYS 33 1HB LYS 33 -3.370 11.104 -4.458 282 HB3 LYS 33 2HB LYS 33 -3.024 12.685 -5.149 283 HG2 LYS 33 1HG LYS 33 -5.332 12.295 -5.555 284 HG3 LYS 33 2HG LYS 33 -4.569 12.138 -7.103 285 HD2 LYS 33 1HD LYS 33 -5.574 10.191 -7.397 286 HD3 LYS 33 2HD LYS 33 -4.518 9.435 -6.252 287 HE2 LYS 33 1HE LYS 33 -7.302 10.675 -5.684 288 HE3 LYS 33 2HE LYS 33 -6.958 8.969 -5.892 289 HZ1 LYS 33 3HZ LYS 33 -7.056 9.519 -3.489 290 HZ2 LYS 33 1HZ LYS 33 -5.463 9.136 -3.791 291 HZ3 LYS 33 2HZ LYS 33 -5.920 10.683 -3.641 292 H TYR 34 H TYR 34 -0.050 12.464 -6.742 293 HA TYR 34 HA TYR 34 -0.952 13.760 -9.296 294 HB2 TYR 34 1HB TYR 34 0.616 14.753 -7.480 295 HB3 TYR 34 2HB TYR 34 1.867 13.665 -8.036 296 HD1 TYR 34 HD1 TYR 34 -0.425 16.460 -9.144 297 HD2 TYR 34 HD2 TYR 34 3.289 14.391 -9.881 298 HE1 TYR 34 HE1 TYR 34 0.251 18.216 -10.709 299 HE2 TYR 34 HE2 TYR 34 3.959 16.170 -11.425 300 HH TYR 34 HH TYR 34 3.194 17.915 -12.622 301 H TRP 35 H TRP 35 1.361 11.130 -8.562 302 HA TRP 35 HA TRP 35 1.877 10.587 -11.496 303 HB2 TRP 35 1HB TRP 35 3.481 10.200 -9.290 304 HB3 TRP 35 2HB TRP 35 2.754 8.617 -9.315 305 HD1 TRP 35 HD1 TRP 35 5.056 11.074 -11.312 306 HE1 TRP 35 HE1 TRP 35 6.786 9.773 -12.805 307 HE3 TRP 35 HE3 TRP 35 3.032 6.399 -10.679 308 HZ2 TRP 35 HZ2 TRP 35 7.151 7.035 -13.460 309 HZ3 TRP 35 HZ3 TRP 35 4.177 4.460 -11.734 310 HH2 TRP 35 HH2 TRP 35 6.194 4.773 -13.092 311 H LEU 36 H LEU 36 0.020 9.035 -8.836 312 HA LEU 36 HA LEU 36 -1.161 7.089 -10.888 313 HB2 LEU 36 1HB LEU 36 -0.877 6.739 -7.838 314 HB3 LEU 36 2HB LEU 36 -1.640 5.579 -8.926 315 HG LEU 36 HG LEU 36 1.346 6.378 -8.976 316 HD11 LEU 36 1HD1 LEU 36 1.720 4.117 -8.005 317 HD12 LEU 36 2HD1 LEU 36 0.664 5.068 -6.950 318 HD13 LEU 36 3HD1 LEU 36 -0.035 3.792 -7.976 319 HD21 LEU 36 3HD2 LEU 36 0.594 5.637 -11.270 320 HD22 LEU 36 1HD2 LEU 36 1.602 4.394 -10.525 321 HD23 LEU 36 2HD2 LEU 36 -0.162 4.182 -10.583 322 HA PRO 37 HA PRO 37 -5.081 9.200 -9.712 323 HB2 PRO 37 1HB PRO 37 -6.937 7.611 -11.063 324 HB3 PRO 37 2HB PRO 37 -5.858 8.794 -11.825 325 HG2 PRO 37 1HG PRO 37 -5.374 5.767 -11.578 326 HG3 PRO 37 2HG PRO 37 -5.290 6.771 -13.049 327 HD2 PRO 37 1HD PRO 37 -3.008 6.154 -11.636 328 HD3 PRO 37 2HD PRO 37 -3.192 7.779 -12.372 329 H HIS 38 H HIS 38 -4.433 5.912 -8.697 330 HA HIS 38 HA HIS 38 -6.327 6.454 -6.325 331 HB2 HIS 38 1HB HIS 38 -7.012 4.588 -7.971 332 HB3 HIS 38 2HB HIS 38 -5.595 3.679 -7.483 333 HD1 HIS 38 HD1 HIS 38 -5.550 2.869 -4.774 334 HD2 HIS 38 HD2 HIS 38 -9.207 4.553 -6.293 335 HE1 HIS 38 HE1 HIS 38 -7.490 2.308 -3.193 336 HE2 HIS 38 HE2 HIS 38 -9.745 3.272 -4.018 337 H SER 39 H SER 39 -4.802 7.354 -4.978 338 HA SER 39 HA SER 39 -2.304 5.951 -4.159 339 HB2 SER 39 1HB SER 39 -2.200 7.568 -2.296 340 HB3 SER 39 2HB SER 39 -2.330 8.318 -3.874 341 HG SER 39 HG SER 39 -4.248 8.134 -1.805 342 H GLY 40 H GLY 40 -2.536 4.007 -3.358 343 HA2 GLY 40 1HA GLY 40 -2.851 2.955 -0.954 344 HA3 GLY 40 2HA GLY 40 -4.550 3.382 -1.102 345 H ALA 41 H ALA 41 -1.993 1.421 -2.404 346 HA ALA 41 HA ALA 41 -4.026 -0.399 -3.832 347 HB1 ALA 41 3HB ALA 41 -2.512 0.826 -5.378 348 HB2 ALA 41 1HB ALA 41 -1.072 0.172 -4.556 349 HB3 ALA 41 2HB ALA 41 -2.180 -0.911 -5.430 350 H THR 42 H THR 42 -4.066 -2.478 -3.336 351 HA THR 42 HA THR 42 -2.123 -3.663 -1.332 352 HB THR 42 HB THR 42 -4.480 -3.917 -0.838 353 HG1 THR 42 HG1 THR 42 -3.608 -6.468 -1.563 354 HG21 THR 42 3HG2 THR 42 -5.952 -5.514 -1.972 355 HG22 THR 42 1HG2 THR 42 -5.572 -4.201 -3.095 356 HG23 THR 42 2HG2 THR 42 -4.789 -5.775 -3.288 357 H TRP 43 H TRP 43 -0.484 -4.850 -2.011 358 HA TRP 43 HA TRP 43 -0.713 -6.454 -4.612 359 HB2 TRP 43 1HB TRP 43 0.618 -4.300 -4.985 360 HB3 TRP 43 2HB TRP 43 1.827 -4.916 -3.850 361 HD1 TRP 43 HD1 TRP 43 1.549 -8.140 -5.405 362 HE1 TRP 43 HE1 TRP 43 3.027 -8.500 -7.526 363 HE3 TRP 43 HE3 TRP 43 2.356 -3.153 -6.505 364 HZ2 TRP 43 HZ2 TRP 43 4.399 -6.775 -9.302 365 HZ3 TRP 43 HZ3 TRP 43 3.867 -2.611 -8.388 366 HH2 TRP 43 HH2 TRP 43 4.874 -4.382 -9.756 367 H SER 44 H SER 44 -0.945 -8.361 -3.650 368 HA SER 44 HA SER 44 0.963 -9.277 -1.449 369 HB2 SER 44 1HB SER 44 -0.678 -10.990 -0.970 370 HB3 SER 44 2HB SER 44 -1.523 -9.450 -1.083 371 HG SER 44 HG SER 44 -1.242 -11.141 -3.346 372 H GLY 45 H GLY 45 2.813 -9.837 -2.555 373 HA2 GLY 45 1HA GLY 45 3.267 -12.457 -3.433 374 HA3 GLY 45 2HA GLY 45 2.725 -11.744 -4.943 375 H ARG 46 H ARG 46 3.876 -9.561 -5.353 376 HA ARG 46 HA ARG 46 6.892 -9.864 -4.997 377 HB2 ARG 46 1HB ARG 46 6.020 -9.470 -7.289 378 HB3 ARG 46 2HB ARG 46 5.273 -7.971 -6.806 379 HG2 ARG 46 1HG ARG 46 8.322 -8.373 -6.536 380 HG3 ARG 46 2HG ARG 46 7.542 -8.058 -8.075 381 HD2 ARG 46 1HD ARG 46 6.391 -5.978 -6.706 382 HD3 ARG 46 2HD ARG 46 7.790 -6.218 -5.637 383 HE ARG 46 HE ARG 46 8.638 -6.140 -8.483 384 HH11 ARG 46 2HH2 ARG 46 7.682 -4.036 -5.915 385 HH12 ARG 46 1HH2 ARG 46 8.337 -2.555 -6.776 386 HH21 ARG 46 2HH1 ARG 46 9.367 -4.465 -9.445 387 HH22 ARG 46 1HH1 ARG 46 9.241 -2.819 -8.688 388 H GLY 47 H GLY 47 7.950 -8.443 -3.747 389 HA2 GLY 47 1HA GLY 47 6.320 -7.190 -1.521 390 HA3 GLY 47 2HA GLY 47 8.046 -7.434 -1.502 391 H LYS 48 H LYS 48 5.518 -5.440 -2.839 392 HA LYS 48 HA LYS 48 7.392 -3.227 -3.551 393 HB2 LYS 48 1HB LYS 48 5.650 -2.093 -4.545 394 HB3 LYS 48 2HB LYS 48 5.463 -3.782 -4.904 395 HG2 LYS 48 1HG LYS 48 3.319 -3.440 -4.513 396 HG3 LYS 48 2HG LYS 48 3.692 -3.718 -2.827 397 HD2 LYS 48 1HD LYS 48 3.834 -1.238 -2.432 398 HD3 LYS 48 2HD LYS 48 3.599 -0.905 -4.138 399 HE2 LYS 48 1HE LYS 48 1.319 -1.377 -4.145 400 HE3 LYS 48 2HE LYS 48 1.430 -2.676 -2.963 401 HZ1 LYS 48 3HZ LYS 48 0.304 -0.772 -1.999 402 HZ2 LYS 48 1HZ LYS 48 1.664 -1.112 -1.162 403 HZ3 LYS 48 2HZ LYS 48 1.634 0.224 -2.142 404 H ILE 49 H ILE 49 8.423 -2.344 -1.863 405 HA ILE 49 HA ILE 49 6.694 -0.704 0.073 406 HB ILE 49 HB ILE 49 9.705 -1.287 0.463 407 HG12 ILE 49 1HG1 ILE 49 8.695 -2.474 2.645 408 HG13 ILE 49 2HG1 ILE 49 7.205 -2.621 1.723 409 HG21 ILE 49 1HG2 ILE 49 9.248 -0.247 2.715 410 HG22 ILE 49 2HG2 ILE 49 8.911 0.857 1.376 411 HG23 ILE 49 3HG2 ILE 49 7.553 0.073 2.228 412 HD11 ILE 49 3HD1 ILE 49 8.636 -4.697 1.683 413 HD12 ILE 49 1HD1 ILE 49 8.461 -4.086 0.032 414 HD13 ILE 49 2HD1 ILE 49 9.969 -3.805 0.929 415 HA PRO 50 HA PRO 50 8.443 2.261 -3.091 416 HB2 PRO 50 1HB PRO 50 6.470 4.192 -3.071 417 HB3 PRO 50 2HB PRO 50 6.131 2.543 -3.640 418 HG2 PRO 50 1HG PRO 50 5.594 3.689 -0.824 419 HG3 PRO 50 2HG PRO 50 4.422 2.859 -1.877 420 HD2 PRO 50 1HD PRO 50 5.942 1.582 0.120 421 HD3 PRO 50 2HD PRO 50 5.345 0.697 -1.318 422 H LYS 51 H LYS 51 9.697 2.168 -0.735 423 HA LYS 51 HA LYS 51 9.999 4.926 0.393 424 HB2 LYS 51 1HB LYS 51 11.018 2.231 1.206 425 HB3 LYS 51 2HB LYS 51 12.217 3.473 1.385 426 HG2 LYS 51 1HG LYS 51 11.063 3.415 3.466 427 HG3 LYS 51 2HG LYS 51 10.604 4.926 2.696 428 HD2 LYS 51 1HD LYS 51 8.440 3.653 1.846 429 HD3 LYS 51 2HD LYS 51 8.949 2.332 2.900 430 HE2 LYS 51 1HE LYS 51 8.757 3.746 4.927 431 HE3 LYS 51 2HE LYS 51 8.360 5.168 3.956 432 HZ1 LYS 51 3HZ LYS 51 6.651 2.664 3.756 433 HZ2 LYS 51 1HZ LYS 51 6.299 3.829 4.835 434 HZ3 LYS 51 2HZ LYS 51 6.267 4.129 3.237 435 HA PRO 52 HA PRO 52 13.831 5.622 -2.388 436 HB2 PRO 52 1HB PRO 52 14.252 4.079 -4.665 437 HB3 PRO 52 2HB PRO 52 14.973 3.747 -3.079 438 HG2 PRO 52 1HG PRO 52 12.422 2.487 -4.248 439 HG3 PRO 52 2HG PRO 52 13.828 1.641 -3.551 440 HD2 PRO 52 1HD PRO 52 11.575 2.129 -2.045 441 HD3 PRO 52 2HD PRO 52 13.191 2.239 -1.287 442 H PHE 53 H PHE 53 10.726 4.614 -3.647 443 HA PHE 53 HA PHE 53 10.654 6.668 -5.860 444 HB2 PHE 53 1HB PHE 53 9.376 4.626 -6.207 445 HB3 PHE 53 2HB PHE 53 8.474 4.833 -4.721 446 HD1 PHE 53 HD2 PHE 53 9.104 6.561 -8.064 447 HD2 PHE 53 HD1 PHE 53 6.416 6.122 -4.729 448 HE1 PHE 53 HE2 PHE 53 7.344 7.778 -9.306 449 HE2 PHE 53 HE1 PHE 53 4.674 7.323 -5.982 450 HZ PHE 53 HZ PHE 53 5.128 8.137 -8.281 451 H GLU 54 H GLU 54 8.864 6.330 -2.701 452 HA GLU 54 HA GLU 54 7.964 9.138 -2.850 453 HB2 GLU 54 1HB GLU 54 6.712 7.237 -1.784 454 HB3 GLU 54 2HB GLU 54 7.824 7.248 -0.427 455 HG2 GLU 54 1HG GLU 54 7.120 9.490 0.241 456 HG3 GLU 54 2HG GLU 54 6.314 9.773 -1.334 457 H ALA 55 H ALA 55 10.919 7.843 -1.744 458 HA ALA 55 HA ALA 55 11.846 10.246 -0.183 459 HB1 ALA 55 3HB ALA 55 14.118 9.191 -0.490 460 HB2 ALA 55 1HB ALA 55 12.978 8.114 0.311 461 HB3 ALA 55 2HB ALA 55 13.392 7.864 -1.405 462 H TRP 56 H TRP 56 12.496 8.979 -3.558 463 HA TRP 56 HA TRP 56 13.853 11.552 -4.248 464 HB2 TRP 56 1HB TRP 56 14.333 9.161 -5.285 465 HB3 TRP 56 2HB TRP 56 12.985 9.500 -6.364 466 HD1 TRP 56 HD1 TRP 56 16.462 11.109 -5.223 467 HE1 TRP 56 HE1 TRP 56 17.521 12.597 -7.116 468 HE3 TRP 56 HE3 TRP 56 12.593 10.684 -8.585 469 HZ2 TRP 56 HZ2 TRP 56 16.633 13.450 -9.674 470 HZ3 TRP 56 HZ3 TRP 56 12.776 11.890 -10.750 471 HH2 TRP 56 HH2 TRP 56 14.747 13.248 -11.280 472 H ILE 57 H ILE 57 10.578 10.280 -4.799 473 HA ILE 57 HA ILE 57 9.522 12.862 -5.903 474 HB ILE 57 HB ILE 57 8.288 10.345 -4.681 475 HG12 ILE 57 1HG1 ILE 57 9.039 10.082 -6.958 476 HG13 ILE 57 2HG1 ILE 57 7.315 9.929 -6.780 477 HG21 ILE 57 1HG2 ILE 57 6.546 12.692 -5.459 478 HG22 ILE 57 2HG2 ILE 57 6.083 10.999 -5.053 479 HG23 ILE 57 3HG2 ILE 57 6.795 12.034 -3.828 480 HD11 ILE 57 3HD1 ILE 57 7.001 12.273 -7.758 481 HD12 ILE 57 1HD1 ILE 57 8.763 12.377 -7.994 482 HD13 ILE 57 2HD1 ILE 57 7.821 11.131 -8.848 483 H GLY 58 H GLY 58 10.961 12.451 -2.951 484 HA2 GLY 58 1HA GLY 58 9.591 15.027 -2.001 485 HA3 GLY 58 2HA GLY 58 10.213 13.883 -0.830 486 H THR 59 H THR 59 12.767 13.461 -2.473 487 HA THR 59 HA THR 59 14.466 15.209 -1.199 488 HB THR 59 HB THR 59 15.013 14.251 -4.093 489 HG1 THR 59 HG1 THR 59 16.075 12.553 -2.826 490 HG21 THR 59 3HG2 THR 59 16.963 14.800 -1.744 491 HG22 THR 59 1HG2 THR 59 17.408 14.089 -3.307 492 HG23 THR 59 2HG2 THR 59 16.858 15.760 -3.222 493 H ALA 60 H ALA 60 13.139 15.945 -4.327 494 HA ALA 60 HA ALA 60 13.630 18.926 -3.882 495 HB1 ALA 60 3HB ALA 60 14.060 19.323 -6.310 496 HB2 ALA 60 1HB ALA 60 15.260 18.189 -5.652 497 HB3 ALA 60 2HB ALA 60 13.925 17.579 -6.660 498 H ALA 61 H ALA 61 11.516 16.484 -5.316 499 HA ALA 61 HA ALA 61 9.475 18.304 -6.332 500 HB1 ALA 61 3HB ALA 61 9.365 15.353 -5.519 501 HB2 ALA 61 1HB ALA 61 8.059 16.187 -6.384 502 HB3 ALA 61 2HB ALA 61 9.662 16.001 -7.142 503 H TYR 62 H TYR 62 9.942 17.270 -3.094 504 HA TYR 62 HA TYR 62 7.323 17.595 -1.928 505 HB2 TYR 62 1HB TYR 62 9.425 16.850 -0.718 506 HB3 TYR 62 2HB TYR 62 9.990 18.500 -0.686 507 HD1 TYR 62 HD1 TYR 62 6.881 16.489 0.265 508 HD2 TYR 62 HD2 TYR 62 9.591 19.643 1.396 509 HE1 TYR 62 HE1 TYR 62 5.801 16.656 2.480 510 HE2 TYR 62 HE2 TYR 62 8.499 19.781 3.590 511 HH TYR 62 HH TYR 62 5.707 17.747 4.460 512 H THR 63 H THR 63 9.597 20.280 -2.655 513 HA THR 63 HA THR 63 7.801 22.373 -1.590 514 HB THR 63 HB THR 63 10.199 22.716 -1.805 515 HG1 THR 63 HG1 THR 63 9.804 24.852 -2.945 516 HG21 THR 63 3HG2 THR 63 11.231 23.562 -3.882 517 HG22 THR 63 1HG2 THR 63 10.717 21.893 -4.150 518 HG23 THR 63 2HG2 THR 63 9.762 23.223 -4.825 519 H ALA 64 H ALA 64 7.862 20.795 -4.683 520 HA ALA 64 HA ALA 64 5.823 22.667 -5.934 521 HB1 ALA 64 3HB ALA 64 5.940 21.097 -7.887 522 HB2 ALA 64 1HB ALA 64 7.558 21.661 -7.435 523 HB3 ALA 64 2HB ALA 64 7.034 20.019 -6.992 524 H TRP 65 H TRP 65 6.010 19.373 -4.600 525 HA TRP 65 HA TRP 65 3.197 18.681 -4.938 526 HB2 TRP 65 1HB TRP 65 5.503 17.308 -4.139 527 HB3 TRP 65 2HB TRP 65 4.712 17.471 -2.586 528 HD1 TRP 65 HD1 TRP 65 4.542 15.577 -5.914 529 HE1 TRP 65 HE1 TRP 65 2.625 13.820 -6.043 530 HE3 TRP 65 HE3 TRP 65 2.026 17.091 -1.687 531 HZ2 TRP 65 HZ2 TRP 65 0.270 13.342 -4.486 532 HZ3 TRP 65 HZ3 TRP 65 -0.040 15.896 -1.049 533 HH2 TRP 65 HH2 TRP 65 -0.901 14.037 -2.416 534 H LYS 66 H LYS 66 4.803 20.260 -2.146 535 HA LYS 66 HA LYS 66 2.304 20.484 -0.548 536 HB2 LYS 66 1HB LYS 66 4.890 22.121 -0.311 537 HB3 LYS 66 2HB LYS 66 3.572 22.107 0.842 538 HG2 LYS 66 1HG LYS 66 5.516 19.794 0.251 539 HG3 LYS 66 2HG LYS 66 5.448 20.794 1.626 540 HD2 LYS 66 1HD LYS 66 4.423 19.035 2.538 541 HD3 LYS 66 2HD LYS 66 2.954 19.796 1.962 542 HE2 LYS 66 1HE LYS 66 2.958 18.327 -0.095 543 HE3 LYS 66 2HE LYS 66 4.539 17.672 0.324 544 HZ1 LYS 66 3HZ LYS 66 3.075 16.064 1.398 545 HZ2 LYS 66 1HZ LYS 66 3.244 17.135 2.621 546 HZ3 LYS 66 2HZ LYS 66 1.926 17.243 1.686 547 H ALA 67 H ALA 67 3.734 22.632 -3.000 548 HA ALA 67 HA ALA 67 1.608 24.712 -2.738 549 HB1 ALA 67 3HB ALA 67 3.788 25.180 -3.849 550 HB2 ALA 67 1HB ALA 67 3.433 23.999 -5.133 551 HB3 ALA 67 2HB ALA 67 2.444 25.472 -4.967 552 H LYS 68 H LYS 68 1.902 21.813 -4.915 553 HA LYS 68 HA LYS 68 -0.773 22.272 -6.130 554 HB2 LYS 68 1HB LYS 68 1.094 19.821 -6.040 555 HB3 LYS 68 2HB LYS 68 -0.363 19.870 -7.025 556 HG2 LYS 68 1HG LYS 68 0.443 21.505 -8.533 557 HG3 LYS 68 2HG LYS 68 1.651 22.146 -7.425 558 HD2 LYS 68 1HD LYS 68 2.979 20.084 -7.492 559 HD3 LYS 68 2HD LYS 68 1.856 19.286 -8.566 560 HE2 LYS 68 1HE LYS 68 3.369 21.925 -9.239 561 HE3 LYS 68 2HE LYS 68 4.022 20.327 -9.593 562 HZ1 LYS 68 3HZ LYS 68 1.338 21.159 -10.683 563 HZ2 LYS 68 1HZ LYS 68 2.728 21.384 -11.527 564 HZ3 LYS 68 2HZ LYS 68 2.244 19.863 -11.149 565 H HIS 69 H HIS 69 0.122 20.428 -3.273 566 HA HIS 69 HA HIS 69 -2.786 19.872 -2.616 567 HB2 HIS 69 1HB HIS 69 -0.578 17.742 -3.056 568 HB3 HIS 69 2HB HIS 69 -1.900 17.378 -1.979 569 HD1 HIS 69 HD1 HIS 69 -4.421 17.215 -3.061 570 HD2 HIS 69 HD2 HIS 69 -1.025 17.251 -5.682 571 HE1 HIS 69 HE1 HIS 69 -5.012 16.013 -5.274 572 HE2 HIS 69 HE2 HIS 69 -3.062 16.111 -6.982 573 HA PRO 70 HA PRO 70 -1.008 20.846 1.409 574 HB2 PRO 70 1HB PRO 70 -2.883 19.994 3.238 575 HB3 PRO 70 2HB PRO 70 -3.301 21.076 1.901 576 HG2 PRO 70 1HG PRO 70 -3.554 17.989 1.925 577 HG3 PRO 70 2HG PRO 70 -4.888 19.157 1.653 578 HD2 PRO 70 1HD PRO 70 -3.492 18.029 -0.452 579 HD3 PRO 70 2HD PRO 70 -4.060 19.730 -0.554 580 H ASP 71 H ASP 71 -1.577 18.690 3.725 581 HA ASP 71 HA ASP 71 1.015 17.226 3.215 582 HB2 ASP 71 1HB ASP 71 0.792 18.744 5.344 583 HB3 ASP 71 2HB ASP 71 0.003 17.327 6.041 584 H GLU 72 H GLU 72 -0.735 16.355 1.795 585 HA GLU 72 HA GLU 72 -1.700 13.760 2.804 586 HB2 GLU 72 1HB GLU 72 -2.060 15.344 0.350 587 HB3 GLU 72 2HB GLU 72 -1.534 13.785 -0.150 588 HG2 GLU 72 1HG GLU 72 -3.689 13.132 0.042 589 HG3 GLU 72 2HG GLU 72 -3.403 12.960 1.722 590 H LYS 73 H LYS 73 0.909 14.556 0.555 591 HA LYS 73 HA LYS 73 2.099 11.813 0.406 592 HB2 LYS 73 1HB LYS 73 2.279 13.329 -1.411 593 HB3 LYS 73 2HB LYS 73 3.000 14.608 -0.461 594 HG2 LYS 73 1HG LYS 73 4.439 11.921 -0.846 595 HG3 LYS 73 2HG LYS 73 4.384 13.134 -2.123 596 HD2 LYS 73 1HD LYS 73 5.354 14.899 -0.689 597 HD3 LYS 73 2HD LYS 73 5.481 13.834 0.694 598 HE2 LYS 73 1HE LYS 73 6.932 13.370 -2.000 599 HE3 LYS 73 2HE LYS 73 7.635 14.213 -0.627 600 HZ1 LYS 73 3HZ LYS 73 7.294 12.175 0.759 601 HZ2 LYS 73 1HZ LYS 73 6.574 11.415 -0.443 602 HZ3 LYS 73 2HZ LYS 73 8.184 11.701 -0.593 603 H PHE 74 H PHE 74 3.658 10.918 1.594 604 HA PHE 74 HA PHE 74 3.979 11.947 4.340 605 HB2 PHE 74 1HB PHE 74 3.771 9.469 3.444 606 HB3 PHE 74 2HB PHE 74 5.455 9.562 3.034 607 HD1 PHE 74 HD1 PHE 74 2.960 9.566 5.814 608 HD2 PHE 74 HD2 PHE 74 7.173 9.532 4.900 609 HE1 PHE 74 HE1 PHE 74 3.467 8.960 8.142 610 HE2 PHE 74 HE2 PHE 74 7.663 8.927 7.238 611 HZ PHE 74 HZ PHE 74 5.815 8.633 8.862 612 HA PRO 75 HA PRO 75 7.884 14.182 3.386 613 HB2 PRO 75 1HB PRO 75 8.651 15.018 5.908 614 HB3 PRO 75 2HB PRO 75 7.214 15.621 5.057 615 HG2 PRO 75 1HG PRO 75 7.311 13.350 7.145 616 HG3 PRO 75 2HG PRO 75 6.269 14.802 7.188 617 HD2 PRO 75 1HD PRO 75 5.305 12.416 6.167 618 HD3 PRO 75 2HD PRO 75 4.864 13.964 5.375 619 H ALA 76 H ALA 76 8.453 11.972 2.758 620 HA ALA 76 HA ALA 76 10.618 10.608 4.262 621 HB1 ALA 76 3HB ALA 76 9.493 10.102 1.426 622 HB2 ALA 76 1HB ALA 76 10.550 9.001 2.329 623 HB3 ALA 76 2HB ALA 76 8.920 9.353 2.939 624 H PHE 77 H PHE 77 12.713 10.667 3.969 625 HA PHE 77 HA PHE 77 13.969 12.536 1.898 626 HB2 PHE 77 1HB PHE 77 15.723 12.962 3.460 627 HB3 PHE 77 2HB PHE 77 14.251 13.088 4.357 628 HD1 PHE 77 HD2 PHE 77 13.670 11.252 6.093 629 HD2 PHE 77 HD1 PHE 77 17.399 11.187 3.928 630 HE1 PHE 77 HE2 PHE 77 14.571 9.583 7.667 631 HE2 PHE 77 HE1 PHE 77 18.274 9.510 5.485 632 HZ PHE 77 HZ PHE 77 16.875 8.717 7.382 633 HA PRO 78 HA PRO 78 16.174 8.888 0.173 634 HB2 PRO 78 1HB PRO 78 18.452 9.974 -0.948 635 HB3 PRO 78 2HB PRO 78 16.812 10.331 -1.541 636 HG2 PRO 78 1HG PRO 78 18.474 12.025 0.437 637 HG3 PRO 78 2HG PRO 78 17.723 12.590 -1.075 638 HD2 PRO 78 1HD PRO 78 16.468 12.890 1.367 639 HD3 PRO 78 2HD PRO 78 15.495 12.523 -0.086 640 H GLY 79 H GLY 79 16.751 7.481 1.689 641 HA2 GLY 79 1HA GLY 79 19.556 7.552 2.866 642 HA3 GLY 79 2HA GLY 79 18.218 7.589 4.020 Start of MODEL 18 1 H1 PHE 1 1H PHE 1 -10.605 7.838 -3.944 2 H2 PHE 1 2H PHE 1 -10.127 7.961 -2.385 3 HA PHE 1 HA PHE 1 -12.134 9.672 -3.743 4 HB2 PHE 1 1HB PHE 1 -11.140 9.630 -0.813 5 HB3 PHE 1 2HB PHE 1 -11.883 11.055 -1.492 6 HD1 PHE 1 HD1 PHE 1 -14.288 10.956 -2.423 7 HD2 PHE 1 HD2 PHE 1 -12.586 7.724 -0.132 8 HE1 PHE 1 HE1 PHE 1 -16.539 10.059 -1.999 9 HE2 PHE 1 HE2 PHE 1 -14.848 6.847 0.290 10 HZ PHE 1 HZ PHE 1 -16.828 8.005 -0.646 11 H ASN 2 H ASN 2 -11.430 12.042 -3.567 12 HA ASN 2 HA ASN 2 -9.004 12.145 -5.261 13 HB2 ASN 2 1HB ASN 2 -11.266 13.542 -5.415 14 HB3 ASN 2 2HB ASN 2 -10.512 14.641 -4.288 15 HD21 ASN 2 1HD2 ASN 2 -8.000 15.001 -5.255 16 HD22 ASN 2 2HD2 ASN 2 -8.115 15.496 -7.024 17 H VAL 3 H VAL 3 -9.591 13.355 -1.961 18 HA VAL 3 HA VAL 3 -6.555 13.810 -1.762 19 HB VAL 3 HB VAL 3 -7.875 15.881 -1.726 20 HG11 VAL 3 1HG1 VAL 3 -8.834 15.178 1.124 21 HG12 VAL 3 2HG1 VAL 3 -9.082 16.690 0.228 22 HG13 VAL 3 3HG1 VAL 3 -9.882 15.202 -0.308 23 HG21 VAL 3 3HG2 VAL 3 -6.219 15.354 0.827 24 HG22 VAL 3 1HG2 VAL 3 -5.578 15.771 -0.781 25 HG23 VAL 3 2HG2 VAL 3 -6.570 16.942 0.105 26 H LYS 4 H LYS 4 -5.749 11.997 -0.901 27 HA LYS 4 HA LYS 4 -6.930 11.048 1.740 28 HB2 LYS 4 1HB LYS 4 -6.632 9.338 -0.763 29 HB3 LYS 4 2HB LYS 4 -6.251 8.577 0.761 30 HG2 LYS 4 1HG LYS 4 -8.937 9.927 0.087 31 HG3 LYS 4 2HG LYS 4 -8.599 8.210 0.107 32 HD2 LYS 4 1HD LYS 4 -9.166 8.078 2.290 33 HD3 LYS 4 2HD LYS 4 -7.720 8.956 2.695 34 HE2 LYS 4 1HE LYS 4 -9.490 11.089 2.007 35 HE3 LYS 4 2HE LYS 4 -10.626 9.877 2.550 36 HZ1 LYS 4 3HZ LYS 4 -8.293 10.979 4.139 37 HZ2 LYS 4 1HZ LYS 4 -9.875 11.216 4.472 38 HZ3 LYS 4 2HZ LYS 4 -9.206 9.728 4.686 39 H GLN 5 H GLN 5 -5.536 11.345 3.156 40 HA GLN 5 HA GLN 5 -2.691 11.311 2.976 41 HB2 GLN 5 1HB GLN 5 -4.607 11.006 5.397 42 HB3 GLN 5 2HB GLN 5 -2.879 11.217 5.573 43 HG2 GLN 5 1HG GLN 5 -3.756 13.342 5.913 44 HG3 GLN 5 2HG GLN 5 -2.922 13.398 4.369 45 HE21 GLN 5 1HE2 GLN 5 -4.126 15.333 4.059 46 HE22 GLN 5 2HE2 GLN 5 -5.899 15.247 3.553 47 H LYS 6 H LYS 6 -1.212 10.056 4.245 48 HA LYS 6 HA LYS 6 -1.195 7.572 2.830 49 HB2 LYS 6 1HB LYS 6 0.818 9.242 4.288 50 HB3 LYS 6 2HB LYS 6 1.188 7.550 4.357 51 HG2 LYS 6 1HG LYS 6 2.280 8.315 2.452 52 HG3 LYS 6 2HG LYS 6 1.000 7.285 1.919 53 HD2 LYS 6 1HD LYS 6 0.853 10.370 1.939 54 HD3 LYS 6 2HD LYS 6 1.585 9.434 0.630 55 HE2 LYS 6 1HE LYS 6 -0.651 8.286 0.207 56 HE3 LYS 6 2HE LYS 6 -1.417 9.328 1.394 57 HZ1 LYS 6 3HZ LYS 6 -0.617 11.276 0.080 58 HZ2 LYS 6 1HZ LYS 6 -0.036 10.245 -1.108 59 HZ3 LYS 6 2HZ LYS 6 -1.658 10.375 -0.793 60 H SER 7 H SER 7 -0.972 5.505 3.270 61 HA SER 7 HA SER 7 -1.933 4.524 6.022 62 HB2 SER 7 1HB SER 7 -3.334 3.926 3.309 63 HB3 SER 7 2HB SER 7 -3.741 3.197 4.852 64 HG SER 7 HG SER 7 -3.703 6.026 4.504 65 H GLU 8 H GLU 8 -0.360 3.157 6.528 66 HA GLU 8 HA GLU 8 0.909 1.300 4.425 67 HB2 GLU 8 1HB GLU 8 2.090 2.472 7.015 68 HB3 GLU 8 2HB GLU 8 2.889 1.315 5.966 69 HG2 GLU 8 1HG GLU 8 2.883 2.960 4.053 70 HG3 GLU 8 2HG GLU 8 1.986 4.111 5.010 71 H ILE 9 H ILE 9 -0.180 -0.598 4.610 72 HA ILE 9 HA ILE 9 -0.834 -1.656 7.407 73 HB ILE 9 HB ILE 9 -2.125 -2.433 4.739 74 HG12 ILE 9 1HG1 ILE 9 -4.216 -1.516 6.248 75 HG13 ILE 9 2HG1 ILE 9 -2.975 -0.611 7.082 76 HG21 ILE 9 1HG2 ILE 9 -2.101 -4.406 6.233 77 HG22 ILE 9 2HG2 ILE 9 -2.804 -3.451 7.560 78 HG23 ILE 9 3HG2 ILE 9 -3.728 -3.762 6.058 79 HD11 ILE 9 3HD1 ILE 9 -2.381 0.495 4.801 80 HD12 ILE 9 1HD1 ILE 9 -3.700 -0.445 4.073 81 HD13 ILE 9 2HD1 ILE 9 -4.046 0.754 5.332 82 H THR 10 H THR 10 -0.267 -3.561 8.063 83 HA THR 10 HA THR 10 2.246 -4.759 7.080 84 HB THR 10 HB THR 10 0.346 -5.335 9.444 85 HG1 THR 10 HG1 THR 10 1.704 -3.378 9.214 86 HG21 THR 10 3HG2 THR 10 2.170 -6.545 10.564 87 HG22 THR 10 1HG2 THR 10 1.665 -7.446 9.126 88 HG23 THR 10 2HG2 THR 10 3.178 -6.502 9.102 89 H ALA 11 H ALA 11 2.627 -6.867 6.509 90 HA ALA 11 HA ALA 11 1.062 -7.795 4.432 91 HB1 ALA 11 3HB ALA 11 3.209 -9.444 5.913 92 HB2 ALA 11 1HB ALA 11 2.766 -9.543 4.188 93 HB3 ALA 11 2HB ALA 11 3.546 -8.095 4.800 94 H LEU 12 H LEU 12 -0.743 -8.877 4.248 95 HA LEU 12 HA LEU 12 -1.744 -10.765 6.391 96 HB2 LEU 12 1HB LEU 12 -2.970 -9.046 4.151 97 HB3 LEU 12 2HB LEU 12 -3.812 -10.497 4.523 98 HG LEU 12 HG LEU 12 -3.076 -8.482 6.741 99 HD11 LEU 12 1HD1 LEU 12 -5.655 -8.672 5.031 100 HD12 LEU 12 2HD1 LEU 12 -5.455 -7.660 6.484 101 HD13 LEU 12 3HD1 LEU 12 -4.477 -7.334 5.043 102 HD21 LEU 12 3HD2 LEU 12 -5.199 -10.753 6.599 103 HD22 LEU 12 1HD2 LEU 12 -3.716 -10.795 7.575 104 HD23 LEU 12 2HD2 LEU 12 -4.982 -9.625 7.954 105 H VAL 13 H VAL 13 -2.752 -12.616 5.764 106 HA VAL 13 HA VAL 13 -1.589 -14.493 3.816 107 HB VAL 13 HB VAL 13 -3.718 -15.837 4.259 108 HG11 VAL 13 1HG1 VAL 13 -1.629 -16.311 5.494 109 HG12 VAL 13 2HG1 VAL 13 -2.039 -15.103 6.736 110 HG13 VAL 13 3HG1 VAL 13 -3.044 -16.557 6.532 111 HG21 VAL 13 3HG2 VAL 13 -5.285 -13.970 4.984 112 HG22 VAL 13 1HG2 VAL 13 -5.179 -15.294 6.171 113 HG23 VAL 13 2HG2 VAL 13 -4.340 -13.763 6.470 114 H LYS 14 H LYS 14 -2.382 -15.204 1.872 115 HA LYS 14 HA LYS 14 -3.377 -13.046 0.152 116 HB2 LYS 14 1HB LYS 14 -1.637 -14.696 -0.468 117 HB3 LYS 14 2HB LYS 14 -2.763 -16.016 -0.370 118 HG2 LYS 14 1HG LYS 14 -2.545 -15.647 -2.659 119 HG3 LYS 14 2HG LYS 14 -4.121 -14.957 -2.293 120 HD2 LYS 14 1HD LYS 14 -3.063 -12.651 -2.155 121 HD3 LYS 14 2HD LYS 14 -1.502 -13.313 -2.596 122 HE2 LYS 14 1HE LYS 14 -4.075 -13.413 -4.346 123 HE3 LYS 14 2HE LYS 14 -2.806 -12.186 -4.454 124 HZ1 LYS 14 3HZ LYS 14 -1.165 -14.003 -4.960 125 HZ2 LYS 14 1HZ LYS 14 -2.366 -15.127 -4.990 126 HZ3 LYS 14 2HZ LYS 14 -2.331 -13.929 -6.120 127 H GLU 15 H GLU 15 -5.400 -12.475 -0.076 128 HA GLU 15 HA GLU 15 -7.731 -14.190 0.312 129 HB2 GLU 15 1HB GLU 15 -7.653 -11.385 -0.975 130 HB3 GLU 15 2HB GLU 15 -9.033 -12.211 -0.285 131 HG2 GLU 15 1HG GLU 15 -8.586 -10.900 1.525 132 HG3 GLU 15 2HG GLU 15 -7.519 -12.209 1.994 133 H VAL 16 H VAL 16 -8.855 -15.337 -1.112 134 HA VAL 16 HA VAL 16 -8.438 -15.030 -4.118 135 HB VAL 16 HB VAL 16 -8.433 -17.875 -2.952 136 HG11 VAL 16 1HG1 VAL 16 -8.568 -17.482 -5.518 137 HG12 VAL 16 2HG1 VAL 16 -7.021 -16.632 -5.439 138 HG13 VAL 16 3HG1 VAL 16 -7.121 -18.365 -5.043 139 HG21 VAL 16 3HG2 VAL 16 -6.481 -16.880 -1.720 140 HG22 VAL 16 1HG2 VAL 16 -5.951 -18.017 -2.960 141 HG23 VAL 16 2HG2 VAL 16 -5.811 -16.258 -3.243 142 H THR 17 H THR 17 -10.055 -16.069 -5.427 143 HA THR 17 HA THR 17 -12.722 -15.484 -4.514 144 HB THR 17 HB THR 17 -11.934 -17.061 -7.027 145 HG1 THR 17 HG1 THR 17 -12.433 -14.306 -6.802 146 HG21 THR 17 3HG2 THR 17 -14.433 -17.076 -6.673 147 HG22 THR 17 1HG2 THR 17 -14.420 -15.310 -6.471 148 HG23 THR 17 2HG2 THR 17 -13.970 -16.040 -8.025 149 HA PRO 18 HA PRO 18 -13.929 -19.999 -3.517 150 HB2 PRO 18 1HB PRO 18 -12.215 -22.146 -3.715 151 HB3 PRO 18 2HB PRO 18 -13.058 -21.480 -5.124 152 HG2 PRO 18 1HG PRO 18 -10.158 -20.949 -4.258 153 HG3 PRO 18 2HG PRO 18 -10.749 -21.355 -5.891 154 HD2 PRO 18 1HD PRO 18 -10.266 -18.746 -4.881 155 HD3 PRO 18 2HD PRO 18 -11.301 -19.059 -6.304 156 HA PRO 19 HA PRO 19 -12.209 -19.437 0.618 157 HB2 PRO 19 1HB PRO 19 -13.255 -21.504 2.133 158 HB3 PRO 19 2HB PRO 19 -14.236 -20.229 1.369 159 HG2 PRO 19 1HG PRO 19 -13.640 -23.034 0.224 160 HG3 PRO 19 2HG PRO 19 -15.245 -22.297 0.478 161 HD2 PRO 19 1HD PRO 19 -14.022 -22.156 -1.991 162 HD3 PRO 19 2HD PRO 19 -14.931 -20.741 -1.365 163 H ARG 20 H ARG 20 -10.113 -19.775 -0.378 164 HA ARG 20 HA ARG 20 -8.480 -21.780 1.225 165 HB2 ARG 20 1HB ARG 20 -9.145 -22.140 -1.515 166 HB3 ARG 20 2HB ARG 20 -7.597 -21.384 -1.672 167 HG2 ARG 20 1HG ARG 20 -6.430 -23.255 -0.836 168 HG3 ARG 20 2HG ARG 20 -7.593 -23.572 0.419 169 HD2 ARG 20 1HD ARG 20 -7.869 -25.442 -0.857 170 HD3 ARG 20 2HD ARG 20 -9.251 -24.457 -1.357 171 HE ARG 20 HE ARG 20 -6.931 -23.988 -3.152 172 HH11 ARG 20 2HH2 ARG 20 -9.419 -26.337 -2.524 173 HH12 ARG 20 1HH2 ARG 20 -9.182 -27.136 -4.151 174 HH21 ARG 20 2HH1 ARG 20 -6.659 -24.946 -4.977 175 HH22 ARG 20 1HH1 ARG 20 -7.685 -26.368 -5.455 176 H LYS 21 H LYS 21 -6.674 -21.005 2.066 177 HA LYS 21 HA LYS 21 -5.892 -18.086 1.443 178 HB2 LYS 21 1HB LYS 21 -6.360 -19.570 4.099 179 HB3 LYS 21 2HB LYS 21 -5.375 -18.140 4.050 180 HG2 LYS 21 1HG LYS 21 -8.008 -17.792 2.586 181 HG3 LYS 21 2HG LYS 21 -8.204 -18.235 4.271 182 HD2 LYS 21 1HD LYS 21 -6.958 -16.308 5.079 183 HD3 LYS 21 2HD LYS 21 -6.253 -15.982 3.503 184 HE2 LYS 21 1HE LYS 21 -7.873 -14.280 3.916 185 HE3 LYS 21 2HE LYS 21 -8.413 -15.255 2.552 186 HZ1 LYS 21 3HZ LYS 21 -9.458 -15.579 5.384 187 HZ2 LYS 21 1HZ LYS 21 -10.281 -14.828 4.171 188 HZ3 LYS 21 2HZ LYS 21 -9.982 -16.442 4.096 189 H ALA 22 H ALA 22 -3.938 -17.955 0.694 190 HA ALA 22 HA ALA 22 -1.783 -19.983 1.470 191 HB1 ALA 22 3HB ALA 22 -0.699 -19.306 -0.684 192 HB2 ALA 22 1HB ALA 22 -2.363 -19.851 -0.939 193 HB3 ALA 22 2HB ALA 22 -1.978 -18.114 -0.987 194 HA PRO 23 HA PRO 23 0.544 -16.509 3.420 195 HB2 PRO 23 1HB PRO 23 3.016 -17.652 3.813 196 HB3 PRO 23 2HB PRO 23 1.547 -18.204 4.649 197 HG2 PRO 23 1HG PRO 23 2.805 -19.426 2.113 198 HG3 PRO 23 2HG PRO 23 2.355 -20.281 3.612 199 HD2 PRO 23 1HD PRO 23 0.665 -20.167 1.396 200 HD3 PRO 23 2HD PRO 23 0.009 -20.199 3.067 201 H SER 24 H SER 24 0.708 -14.825 2.027 202 HA SER 24 HA SER 24 2.947 -14.814 -0.053 203 HB2 SER 24 1HB SER 24 0.497 -15.290 -0.944 204 HB3 SER 24 2HB SER 24 0.261 -13.544 -0.738 205 HG SER 24 HG SER 24 2.239 -14.916 -2.267 206 H LYS 25 H LYS 25 3.944 -12.803 -0.444 207 HA LYS 25 HA LYS 25 3.927 -10.983 1.879 208 HB2 LYS 25 1HB LYS 25 5.391 -10.652 -0.810 209 HB3 LYS 25 2HB LYS 25 5.631 -9.642 0.593 210 HG2 LYS 25 1HG LYS 25 6.360 -12.610 0.323 211 HG3 LYS 25 2HG LYS 25 7.431 -11.215 0.346 212 HD2 LYS 25 1HD LYS 25 6.542 -10.724 2.765 213 HD3 LYS 25 2HD LYS 25 5.720 -12.289 2.684 214 HE2 LYS 25 1HE LYS 25 7.960 -13.446 2.255 215 HE3 LYS 25 2HE LYS 25 8.785 -11.886 2.336 216 HZ1 LYS 25 3HZ LYS 25 7.931 -11.645 4.693 217 HZ2 LYS 25 1HZ LYS 25 7.193 -13.106 4.609 218 HZ3 LYS 25 2HZ LYS 25 8.831 -13.010 4.556 219 H ALA 26 H ALA 26 2.284 -9.644 2.197 220 HA ALA 26 HA ALA 26 1.206 -7.901 -0.067 221 HB1 ALA 26 3HB ALA 26 -0.707 -7.498 1.512 222 HB2 ALA 26 1HB ALA 26 -0.490 -9.234 1.215 223 HB3 ALA 26 2HB ALA 26 0.073 -8.537 2.718 224 H LYS 27 H LYS 27 1.645 -5.837 -0.088 225 HA LYS 27 HA LYS 27 2.125 -4.355 2.526 226 HB2 LYS 27 1HB LYS 27 4.075 -4.086 0.133 227 HB3 LYS 27 2HB LYS 27 3.765 -2.753 1.228 228 HG2 LYS 27 1HG LYS 27 5.559 -3.574 2.306 229 HG3 LYS 27 2HG LYS 27 4.300 -4.377 3.206 230 HD2 LYS 27 1HD LYS 27 4.736 -6.338 1.304 231 HD3 LYS 27 2HD LYS 27 6.278 -5.536 1.151 232 HE2 LYS 27 1HE LYS 27 5.029 -6.625 3.787 233 HE3 LYS 27 2HE LYS 27 6.147 -7.534 2.788 234 HZ1 LYS 27 3HZ LYS 27 7.875 -5.738 3.188 235 HZ2 LYS 27 1HZ LYS 27 6.827 -4.894 4.110 236 HZ3 LYS 27 2HZ LYS 27 7.377 -6.346 4.634 237 H ARG 28 H ARG 28 0.633 -2.846 2.668 238 HA ARG 28 HA ARG 28 -0.774 -1.885 0.101 239 HB2 ARG 28 1HB ARG 28 -2.024 -1.617 2.863 240 HB3 ARG 28 2HB ARG 28 -2.739 -1.405 1.292 241 HG2 ARG 28 1HG ARG 28 -2.424 -3.893 0.843 242 HG3 ARG 28 2HG ARG 28 -1.818 -4.111 2.474 243 HD2 ARG 28 1HD ARG 28 -3.924 -3.503 3.525 244 HD3 ARG 28 2HD ARG 28 -4.622 -2.895 2.005 245 HE ARG 28 HE ARG 28 -3.950 -5.464 1.200 246 HH11 ARG 28 2HH2 ARG 28 -5.895 -4.377 3.876 247 HH12 ARG 28 1HH2 ARG 28 -6.805 -5.967 3.901 248 HH21 ARG 28 2HH1 ARG 28 -4.871 -7.237 1.359 249 HH22 ARG 28 1HH1 ARG 28 -6.206 -7.588 2.496 250 H GLU 29 H GLU 29 0.123 0.017 -0.399 251 HA GLU 29 HA GLU 29 0.732 2.079 1.772 252 HB2 GLU 29 1HB GLU 29 2.825 1.297 -0.355 253 HB3 GLU 29 2HB GLU 29 2.838 2.758 0.614 254 HG2 GLU 29 1HG GLU 29 2.717 1.185 2.741 255 HG3 GLU 29 2HG GLU 29 3.122 -0.121 1.670 256 H ALA 30 H ALA 30 0.095 4.023 1.219 257 HA ALA 30 HA ALA 30 -1.011 4.581 -1.543 258 HB1 ALA 30 3HB ALA 30 -1.196 6.028 1.168 259 HB2 ALA 30 1HB ALA 30 -1.977 6.600 -0.288 260 HB3 ALA 30 2HB ALA 30 -2.440 5.031 0.367 261 HA PRO 31 HA PRO 31 2.795 7.233 -2.067 262 HB2 PRO 31 1HB PRO 31 3.314 6.912 -4.706 263 HB3 PRO 31 2HB PRO 31 3.549 5.630 -3.514 264 HG2 PRO 31 1HG PRO 31 1.064 6.005 -5.328 265 HG3 PRO 31 2HG PRO 31 2.083 4.546 -5.195 266 HD2 PRO 31 1HD PRO 31 -0.229 4.826 -3.692 267 HD3 PRO 31 2HD PRO 31 1.218 4.021 -3.010 268 H ILE 32 H ILE 32 1.674 8.105 -5.138 269 HA ILE 32 HA ILE 32 0.932 10.865 -4.044 270 HB ILE 32 HB ILE 32 2.001 11.789 -6.190 271 HG12 ILE 32 1HG1 ILE 32 3.327 9.008 -6.289 272 HG13 ILE 32 2HG1 ILE 32 2.322 9.753 -7.507 273 HG21 ILE 32 1HG2 ILE 32 2.845 12.014 -3.839 274 HG22 ILE 32 2HG2 ILE 32 3.895 10.587 -4.072 275 HG23 ILE 32 3HG2 ILE 32 4.116 12.065 -5.040 276 HD11 ILE 32 3HD1 ILE 32 4.288 11.648 -7.538 277 HD12 ILE 32 1HD1 ILE 32 5.203 10.362 -6.736 278 HD13 ILE 32 2HD1 ILE 32 4.550 10.067 -8.326 279 H LYS 33 H LYS 33 -0.920 11.631 -4.556 280 HA LYS 33 HA LYS 33 -2.673 10.476 -6.653 281 HB2 LYS 33 1HB LYS 33 -3.383 11.273 -4.357 282 HB3 LYS 33 2HB LYS 33 -3.017 12.912 -4.814 283 HG2 LYS 33 1HG LYS 33 -5.321 12.633 -4.912 284 HG3 LYS 33 2HG LYS 33 -4.810 12.874 -6.561 285 HD2 LYS 33 1HD LYS 33 -6.548 11.259 -6.546 286 HD3 LYS 33 2HD LYS 33 -5.093 10.428 -7.058 287 HE2 LYS 33 1HE LYS 33 -4.869 9.158 -5.074 288 HE3 LYS 33 2HE LYS 33 -5.764 10.293 -4.058 289 HZ1 LYS 33 3HZ LYS 33 -7.131 8.805 -6.299 290 HZ2 LYS 33 1HZ LYS 33 -7.132 8.250 -4.721 291 HZ3 LYS 33 2HZ LYS 33 -7.845 9.654 -5.045 292 H TYR 34 H TYR 34 -0.405 13.004 -6.755 293 HA TYR 34 HA TYR 34 -1.664 14.524 -9.061 294 HB2 TYR 34 1HB TYR 34 -0.154 15.660 -7.405 295 HB3 TYR 34 2HB TYR 34 1.192 14.667 -7.914 296 HD1 TYR 34 HD1 TYR 34 -1.331 17.177 -9.257 297 HD2 TYR 34 HD2 TYR 34 2.582 15.430 -9.745 298 HE1 TYR 34 HE1 TYR 34 -0.802 18.830 -10.992 299 HE2 TYR 34 HE2 TYR 34 3.097 17.102 -11.476 300 HH TYR 34 HH TYR 34 0.684 19.375 -12.644 301 H TRP 35 H TRP 35 0.844 12.033 -8.722 302 HA TRP 35 HA TRP 35 1.160 11.763 -11.721 303 HB2 TRP 35 1HB TRP 35 2.973 11.390 -9.701 304 HB3 TRP 35 2HB TRP 35 2.358 9.752 -9.747 305 HD1 TRP 35 HD1 TRP 35 4.908 12.014 -11.272 306 HE1 TRP 35 HE1 TRP 35 6.283 10.865 -13.193 307 HE3 TRP 35 HE3 TRP 35 1.723 8.050 -12.041 308 HZ2 TRP 35 HZ2 TRP 35 5.935 8.493 -14.714 309 HZ3 TRP 35 HZ3 TRP 35 2.346 6.344 -13.724 310 HH2 TRP 35 HH2 TRP 35 4.411 6.556 -15.034 311 H LEU 36 H LEU 36 -0.200 9.708 -9.020 312 HA LEU 36 HA LEU 36 -1.437 7.894 -11.157 313 HB2 LEU 36 1HB LEU 36 -0.684 7.342 -8.217 314 HB3 LEU 36 2HB LEU 36 -1.547 6.199 -9.227 315 HG LEU 36 HG LEU 36 1.280 7.226 -9.913 316 HD11 LEU 36 1HD1 LEU 36 0.441 4.640 -8.448 317 HD12 LEU 36 2HD1 LEU 36 2.084 5.039 -9.005 318 HD13 LEU 36 3HD1 LEU 36 1.317 6.019 -7.748 319 HD21 LEU 36 3HD2 LEU 36 1.347 5.237 -11.429 320 HD22 LEU 36 1HD2 LEU 36 -0.320 4.797 -10.992 321 HD23 LEU 36 2HD2 LEU 36 0.010 6.287 -11.894 322 HA PRO 37 HA PRO 37 -5.316 9.655 -9.441 323 HB2 PRO 37 1HB PRO 37 -7.244 8.083 -10.736 324 HB3 PRO 37 2HB PRO 37 -6.290 9.380 -11.488 325 HG2 PRO 37 1HG PRO 37 -5.658 6.365 -11.526 326 HG3 PRO 37 2HG PRO 37 -5.758 7.472 -12.922 327 HD2 PRO 37 1HD PRO 37 -3.330 6.857 -11.786 328 HD3 PRO 37 2HD PRO 37 -3.641 8.532 -12.349 329 H HIS 38 H HIS 38 -4.292 6.580 -8.561 330 HA HIS 38 HA HIS 38 -6.234 6.546 -6.191 331 HB2 HIS 38 1HB HIS 38 -6.731 4.833 -8.085 332 HB3 HIS 38 2HB HIS 38 -5.193 4.072 -7.746 333 HD1 HIS 38 HD1 HIS 38 -5.010 2.605 -5.434 334 HD2 HIS 38 HD2 HIS 38 -8.799 4.485 -6.223 335 HE1 HIS 38 HE1 HIS 38 -6.810 1.624 -3.879 336 HE2 HIS 38 HE2 HIS 38 -9.143 2.673 -4.293 337 H SER 39 H SER 39 -5.056 6.983 -4.451 338 HA SER 39 HA SER 39 -2.208 5.976 -4.120 339 HB2 SER 39 1HB SER 39 -2.056 7.450 -2.224 340 HB3 SER 39 2HB SER 39 -2.672 8.366 -3.583 341 HG SER 39 HG SER 39 -4.357 7.143 -1.636 342 H GLY 40 H GLY 40 -2.414 3.845 -3.685 343 HA2 GLY 40 1HA GLY 40 -2.567 2.677 -1.242 344 HA3 GLY 40 2HA GLY 40 -4.303 2.773 -1.529 345 H ALA 41 H ALA 41 -1.322 1.312 -2.569 346 HA ALA 41 HA ALA 41 -2.810 -0.542 -4.518 347 HB1 ALA 41 3HB ALA 41 0.168 0.210 -4.334 348 HB2 ALA 41 1HB ALA 41 -0.543 -0.928 -5.506 349 HB3 ALA 41 2HB ALA 41 -1.023 0.779 -5.521 350 H THR 42 H THR 42 -3.520 -2.232 -3.397 351 HA THR 42 HA THR 42 -1.818 -3.709 -1.388 352 HB THR 42 HB THR 42 -4.068 -3.407 -0.799 353 HG1 THR 42 HG1 THR 42 -3.807 -6.117 -1.526 354 HG21 THR 42 3HG2 THR 42 -6.009 -4.508 -1.768 355 HG22 THR 42 1HG2 THR 42 -5.320 -3.478 -3.037 356 HG23 THR 42 2HG2 THR 42 -5.065 -5.230 -3.078 357 H TRP 43 H TRP 43 -0.109 -4.418 -2.582 358 HA TRP 43 HA TRP 43 -0.616 -6.440 -4.850 359 HB2 TRP 43 1HB TRP 43 1.012 -4.542 -5.237 360 HB3 TRP 43 2HB TRP 43 2.059 -5.221 -3.981 361 HD1 TRP 43 HD1 TRP 43 1.563 -8.494 -5.233 362 HE1 TRP 43 HE1 TRP 43 3.023 -9.226 -7.279 363 HE3 TRP 43 HE3 TRP 43 2.810 -3.759 -6.909 364 HZ2 TRP 43 HZ2 TRP 43 4.677 -7.864 -9.096 365 HZ3 TRP 43 HZ3 TRP 43 4.446 -3.588 -8.762 366 HH2 TRP 43 HH2 TRP 43 5.393 -5.610 -9.805 367 H SER 44 H SER 44 -1.326 -8.170 -3.660 368 HA SER 44 HA SER 44 0.420 -9.365 -1.485 369 HB2 SER 44 1HB SER 44 -1.429 -10.925 -1.098 370 HB3 SER 44 2HB SER 44 -1.872 -9.226 -0.950 371 HG SER 44 HG SER 44 -3.477 -10.147 -2.098 372 H GLY 45 H GLY 45 2.188 -10.031 -2.492 373 HA2 GLY 45 1HA GLY 45 2.463 -12.605 -3.754 374 HA3 GLY 45 2HA GLY 45 2.245 -11.515 -5.099 375 H ARG 46 H ARG 46 3.780 -9.791 -5.299 376 HA ARG 46 HA ARG 46 6.603 -10.485 -4.380 377 HB2 ARG 46 1HB ARG 46 6.284 -10.152 -6.777 378 HB3 ARG 46 2HB ARG 46 5.581 -8.567 -6.565 379 HG2 ARG 46 1HG ARG 46 8.416 -9.088 -5.496 380 HG3 ARG 46 2HG ARG 46 8.159 -8.991 -7.234 381 HD2 ARG 46 1HD ARG 46 7.208 -6.730 -7.103 382 HD3 ARG 46 2HD ARG 46 7.274 -6.726 -5.326 383 HE ARG 46 HE ARG 46 9.950 -7.306 -5.993 384 HH11 ARG 46 2HH2 ARG 46 7.841 -4.750 -7.042 385 HH12 ARG 46 1HH2 ARG 46 9.237 -3.574 -7.186 386 HH21 ARG 46 2HH1 ARG 46 11.493 -5.952 -6.161 387 HH22 ARG 46 1HH1 ARG 46 11.194 -4.244 -6.695 388 H GLY 47 H GLY 47 7.601 -9.235 -2.959 389 HA2 GLY 47 1HA GLY 47 6.023 -7.451 -1.148 390 HA3 GLY 47 2HA GLY 47 7.714 -7.859 -0.960 391 H LYS 48 H LYS 48 5.595 -5.862 -2.875 392 HA LYS 48 HA LYS 48 7.712 -3.905 -3.536 393 HB2 LYS 48 1HB LYS 48 6.205 -2.766 -4.866 394 HB3 LYS 48 2HB LYS 48 5.857 -4.461 -5.027 395 HG2 LYS 48 1HG LYS 48 3.695 -3.913 -4.804 396 HG3 LYS 48 2HG LYS 48 3.975 -3.865 -3.091 397 HD2 LYS 48 1HD LYS 48 4.703 -1.236 -3.741 398 HD3 LYS 48 2HD LYS 48 3.729 -1.600 -5.139 399 HE2 LYS 48 1HE LYS 48 2.205 -0.577 -3.618 400 HE3 LYS 48 2HE LYS 48 1.783 -2.286 -3.540 401 HZ1 LYS 48 3HZ LYS 48 3.812 -1.958 -1.619 402 HZ2 LYS 48 1HZ LYS 48 2.856 -0.619 -1.399 403 HZ3 LYS 48 2HZ LYS 48 2.189 -2.133 -1.285 404 H ILE 49 H ILE 49 8.633 -2.869 -1.853 405 HA ILE 49 HA ILE 49 6.896 -1.174 0.010 406 HB ILE 49 HB ILE 49 9.939 -1.525 0.298 407 HG12 ILE 49 1HG1 ILE 49 9.067 -2.886 2.464 408 HG13 ILE 49 2HG1 ILE 49 7.666 -3.243 1.472 409 HG21 ILE 49 1HG2 ILE 49 9.506 -0.604 2.570 410 HG22 ILE 49 2HG2 ILE 49 8.894 0.513 1.347 411 HG23 ILE 49 3HG2 ILE 49 7.751 -0.502 2.248 412 HD11 ILE 49 3HD1 ILE 49 9.255 -4.305 -0.256 413 HD12 ILE 49 1HD1 ILE 49 10.625 -3.862 0.772 414 HD13 ILE 49 2HD1 ILE 49 9.429 -5.042 1.340 415 HA PRO 50 HA PRO 50 8.551 2.027 -3.029 416 HB2 PRO 50 1HB PRO 50 6.391 3.753 -3.132 417 HB3 PRO 50 2HB PRO 50 6.372 2.149 -3.898 418 HG2 PRO 50 1HG PRO 50 5.278 2.885 -1.100 419 HG3 PRO 50 2HG PRO 50 4.381 2.092 -2.421 420 HD2 PRO 50 1HD PRO 50 5.622 0.640 -0.398 421 HD3 PRO 50 2HD PRO 50 5.551 -0.001 -2.063 422 H LYS 51 H LYS 51 9.488 1.884 -0.544 423 HA LYS 51 HA LYS 51 9.618 4.601 0.728 424 HB2 LYS 51 1HB LYS 51 10.862 1.920 1.355 425 HB3 LYS 51 2HB LYS 51 11.956 3.251 1.599 426 HG2 LYS 51 1HG LYS 51 10.849 2.919 3.691 427 HG3 LYS 51 2HG LYS 51 10.345 4.467 3.029 428 HD2 LYS 51 1HD LYS 51 8.268 3.017 2.037 429 HD3 LYS 51 2HD LYS 51 8.731 1.853 3.264 430 HE2 LYS 51 1HE LYS 51 8.230 3.336 5.104 431 HE3 LYS 51 2HE LYS 51 8.309 4.790 4.106 432 HZ1 LYS 51 3HZ LYS 51 5.933 4.046 4.467 433 HZ2 LYS 51 1HZ LYS 51 6.287 3.983 2.857 434 HZ3 LYS 51 2HZ LYS 51 6.215 2.642 3.705 435 HA PRO 52 HA PRO 52 13.585 5.422 -1.914 436 HB2 PRO 52 1HB PRO 52 14.130 3.811 -4.142 437 HB3 PRO 52 2HB PRO 52 14.815 3.575 -2.519 438 HG2 PRO 52 1HG PRO 52 12.330 2.186 -3.699 439 HG3 PRO 52 2HG PRO 52 13.745 1.408 -2.940 440 HD2 PRO 52 1HD PRO 52 11.467 1.862 -1.503 441 HD3 PRO 52 2HD PRO 52 13.048 2.123 -0.714 442 H PHE 53 H PHE 53 10.535 4.454 -3.183 443 HA PHE 53 HA PHE 53 10.572 6.444 -5.465 444 HB2 PHE 53 1HB PHE 53 9.335 4.335 -5.788 445 HB3 PHE 53 2HB PHE 53 8.304 4.666 -4.411 446 HD1 PHE 53 HD2 PHE 53 9.346 6.139 -7.753 447 HD2 PHE 53 HD1 PHE 53 6.318 6.047 -4.703 448 HE1 PHE 53 HE2 PHE 53 7.784 7.311 -9.266 449 HE2 PHE 53 HE1 PHE 53 4.793 7.279 -6.195 450 HZ PHE 53 HZ PHE 53 5.499 7.869 -8.495 451 H GLU 54 H GLU 54 8.598 6.135 -2.398 452 HA GLU 54 HA GLU 54 7.645 8.906 -2.501 453 HB2 GLU 54 1HB GLU 54 6.696 6.934 -1.116 454 HB3 GLU 54 2HB GLU 54 8.024 7.150 0.001 455 HG2 GLU 54 1HG GLU 54 6.552 8.471 1.139 456 HG3 GLU 54 2HG GLU 54 7.029 9.752 0.061 457 H ALA 55 H ALA 55 10.620 7.613 -1.239 458 HA ALA 55 HA ALA 55 11.627 10.055 0.177 459 HB1 ALA 55 3HB ALA 55 13.110 7.562 -0.889 460 HB2 ALA 55 1HB ALA 55 13.776 8.798 0.190 461 HB3 ALA 55 2HB ALA 55 12.447 7.776 0.748 462 H TRP 56 H TRP 56 12.284 8.645 -3.101 463 HA TRP 56 HA TRP 56 13.887 11.054 -3.893 464 HB2 TRP 56 1HB TRP 56 14.111 8.598 -4.863 465 HB3 TRP 56 2HB TRP 56 12.742 8.996 -5.887 466 HD1 TRP 56 HD1 TRP 56 13.239 11.192 -7.745 467 HE1 TRP 56 HE1 TRP 56 15.439 12.171 -8.804 468 HE3 TRP 56 HE3 TRP 56 16.538 9.008 -4.459 469 HZ2 TRP 56 HZ2 TRP 56 18.207 11.925 -8.181 470 HZ3 TRP 56 HZ3 TRP 56 18.964 9.451 -4.748 471 HH2 TRP 56 HH2 TRP 56 19.781 10.879 -6.567 472 H ILE 57 H ILE 57 10.500 9.999 -4.400 473 HA ILE 57 HA ILE 57 9.683 12.596 -5.685 474 HB ILE 57 HB ILE 57 8.160 10.270 -4.381 475 HG12 ILE 57 1HG1 ILE 57 9.165 9.599 -6.474 476 HG13 ILE 57 2HG1 ILE 57 7.432 9.609 -6.540 477 HG21 ILE 57 1HG2 ILE 57 6.615 12.382 -5.930 478 HG22 ILE 57 2HG2 ILE 57 6.094 10.972 -4.958 479 HG23 ILE 57 3HG2 ILE 57 6.728 12.379 -4.171 480 HD11 ILE 57 3HD1 ILE 57 7.493 11.773 -7.912 481 HD12 ILE 57 1HD1 ILE 57 9.270 11.749 -7.826 482 HD13 ILE 57 2HD1 ILE 57 8.396 10.445 -8.656 483 H GLY 58 H GLY 58 10.896 12.175 -2.646 484 HA2 GLY 58 1HA GLY 58 9.500 14.734 -1.676 485 HA3 GLY 58 2HA GLY 58 10.098 13.522 -0.557 486 H THR 59 H THR 59 12.690 13.173 -1.965 487 HA THR 59 HA THR 59 14.355 14.914 -0.596 488 HB THR 59 HB THR 59 14.967 13.834 -3.429 489 HG1 THR 59 HG1 THR 59 15.598 12.619 -0.967 490 HG21 THR 59 3HG2 THR 59 16.846 15.290 -2.735 491 HG22 THR 59 1HG2 THR 59 16.872 14.599 -1.109 492 HG23 THR 59 2HG2 THR 59 17.344 13.608 -2.516 493 H ALA 60 H ALA 60 13.219 15.647 -3.779 494 HA ALA 60 HA ALA 60 13.741 18.625 -3.309 495 HB1 ALA 60 3HB ALA 60 14.253 17.214 -6.037 496 HB2 ALA 60 1HB ALA 60 14.353 18.967 -5.742 497 HB3 ALA 60 2HB ALA 60 15.498 17.871 -4.948 498 H ALA 61 H ALA 61 11.689 16.225 -4.883 499 HA ALA 61 HA ALA 61 9.794 18.087 -6.063 500 HB1 ALA 61 3HB ALA 61 9.593 15.135 -5.287 501 HB2 ALA 61 1HB ALA 61 8.315 15.986 -6.181 502 HB3 ALA 61 2HB ALA 61 9.949 15.830 -6.875 503 H TYR 62 H TYR 62 9.943 17.072 -2.787 504 HA TYR 62 HA TYR 62 7.223 17.533 -1.878 505 HB2 TYR 62 1HB TYR 62 9.184 16.665 -0.467 506 HB3 TYR 62 2HB TYR 62 9.779 18.291 -0.346 507 HD1 TYR 62 HD1 TYR 62 6.402 16.487 0.207 508 HD2 TYR 62 HD2 TYR 62 9.259 19.341 1.733 509 HE1 TYR 62 HE1 TYR 62 5.063 16.753 2.235 510 HE2 TYR 62 HE2 TYR 62 7.889 19.593 3.757 511 HH TYR 62 HH TYR 62 4.871 17.761 4.224 512 H THR 63 H THR 63 9.684 20.094 -2.390 513 HA THR 63 HA THR 63 7.864 22.264 -1.522 514 HB THR 63 HB THR 63 10.259 22.524 -1.437 515 HG1 THR 63 HG1 THR 63 10.143 24.649 -2.606 516 HG21 THR 63 3HG2 THR 63 10.263 22.934 -4.502 517 HG22 THR 63 1HG2 THR 63 11.594 23.287 -3.376 518 HG23 THR 63 2HG2 THR 63 11.080 21.619 -3.641 519 H ALA 64 H ALA 64 8.232 20.675 -4.593 520 HA ALA 64 HA ALA 64 6.409 22.606 -6.073 521 HB1 ALA 64 3HB ALA 64 6.721 20.959 -7.990 522 HB2 ALA 64 1HB ALA 64 8.268 21.561 -7.361 523 HB3 ALA 64 2HB ALA 64 7.708 19.926 -6.939 524 H TRP 65 H TRP 65 6.294 19.357 -4.692 525 HA TRP 65 HA TRP 65 3.503 18.722 -5.333 526 HB2 TRP 65 1HB TRP 65 5.698 17.328 -4.284 527 HB3 TRP 65 2HB TRP 65 4.767 17.558 -2.822 528 HD1 TRP 65 HD1 TRP 65 4.787 15.713 -6.236 529 HE1 TRP 65 HE1 TRP 65 2.844 13.982 -6.490 530 HE3 TRP 65 HE3 TRP 65 2.216 17.066 -1.994 531 HZ2 TRP 65 HZ2 TRP 65 0.458 13.474 -5.010 532 HZ3 TRP 65 HZ3 TRP 65 0.088 15.917 -1.492 533 HH2 TRP 65 HH2 TRP 65 -0.790 14.151 -2.992 534 H LYS 66 H LYS 66 4.860 20.311 -2.465 535 HA LYS 66 HA LYS 66 2.349 20.484 -0.942 536 HB2 LYS 66 1HB LYS 66 5.020 22.024 -0.858 537 HB3 LYS 66 2HB LYS 66 3.724 22.454 0.223 538 HG2 LYS 66 1HG LYS 66 4.826 19.570 0.045 539 HG3 LYS 66 2HG LYS 66 5.554 20.760 1.073 540 HD2 LYS 66 1HD LYS 66 2.594 19.891 1.225 541 HD3 LYS 66 2HD LYS 66 3.879 19.157 2.149 542 HE2 LYS 66 1HE LYS 66 4.383 21.252 3.377 543 HE3 LYS 66 2HE LYS 66 3.218 22.176 2.404 544 HZ1 LYS 66 3HZ LYS 66 2.059 21.371 4.458 545 HZ2 LYS 66 1HZ LYS 66 1.458 20.539 3.139 546 HZ3 LYS 66 2HZ LYS 66 2.520 19.812 4.138 547 H ALA 67 H ALA 67 3.657 22.761 -3.362 548 HA ALA 67 HA ALA 67 1.372 24.649 -3.183 549 HB1 ALA 67 3HB ALA 67 3.500 25.242 -4.335 550 HB2 ALA 67 1HB ALA 67 3.224 23.991 -5.572 551 HB3 ALA 67 2HB ALA 67 2.131 25.389 -5.445 552 H LYS 68 H LYS 68 1.768 21.580 -5.040 553 HA LYS 68 HA LYS 68 -0.873 21.878 -6.410 554 HB2 LYS 68 1HB LYS 68 1.008 19.469 -6.030 555 HB3 LYS 68 2HB LYS 68 -0.438 19.389 -7.013 556 HG2 LYS 68 1HG LYS 68 0.384 20.663 -8.764 557 HG3 LYS 68 2HG LYS 68 1.335 21.723 -7.738 558 HD2 LYS 68 1HD LYS 68 2.944 19.727 -7.291 559 HD3 LYS 68 2HD LYS 68 2.046 18.822 -8.478 560 HE2 LYS 68 1HE LYS 68 4.000 19.685 -9.592 561 HE3 LYS 68 2HE LYS 68 2.639 20.580 -10.262 562 HZ1 LYS 68 3HZ LYS 68 4.148 21.644 -7.875 563 HZ2 LYS 68 1HZ LYS 68 4.691 21.992 -9.412 564 HZ3 LYS 68 2HZ LYS 68 3.216 22.508 -8.899 565 H HIS 69 H HIS 69 0.078 20.009 -3.498 566 HA HIS 69 HA HIS 69 -2.871 19.713 -2.813 567 HB2 HIS 69 1HB HIS 69 -0.994 17.439 -3.532 568 HB3 HIS 69 2HB HIS 69 -1.726 17.217 -1.970 569 HD1 HIS 69 HD1 HIS 69 -3.562 15.443 -2.320 570 HD2 HIS 69 HD2 HIS 69 -3.310 18.271 -5.521 571 HE1 HIS 69 HE1 HIS 69 -5.486 15.069 -3.898 572 HE2 HIS 69 HE2 HIS 69 -5.395 16.674 -5.948 573 HA PRO 70 HA PRO 70 -1.599 21.398 0.845 574 HB2 PRO 70 1HB PRO 70 -3.400 20.598 2.858 575 HB3 PRO 70 2HB PRO 70 -3.786 21.606 1.448 576 HG2 PRO 70 1HG PRO 70 -4.090 18.529 1.644 577 HG3 PRO 70 2HG PRO 70 -5.350 19.718 1.198 578 HD2 PRO 70 1HD PRO 70 -3.971 18.445 -0.780 579 HD3 PRO 70 2HD PRO 70 -4.243 20.213 -0.936 580 H ASP 71 H ASP 71 -2.207 18.580 3.000 581 HA ASP 71 HA ASP 71 0.632 17.730 2.391 582 HB2 ASP 71 1HB ASP 71 0.384 18.962 4.758 583 HB3 ASP 71 2HB ASP 71 -0.353 17.466 5.287 584 H GLU 72 H GLU 72 -0.976 16.707 0.959 585 HA GLU 72 HA GLU 72 -2.273 14.249 1.970 586 HB2 GLU 72 1HB GLU 72 -2.791 15.595 -0.264 587 HB3 GLU 72 2HB GLU 72 -1.524 14.637 -0.958 588 HG2 GLU 72 1HG GLU 72 -2.982 12.599 0.284 589 HG3 GLU 72 2HG GLU 72 -4.257 13.746 -0.008 590 H LYS 73 H LYS 73 0.846 14.740 0.373 591 HA LYS 73 HA LYS 73 1.557 11.782 0.361 592 HB2 LYS 73 1HB LYS 73 2.075 13.296 -1.629 593 HB3 LYS 73 2HB LYS 73 3.179 14.196 -0.606 594 HG2 LYS 73 1HG LYS 73 4.207 11.596 -0.273 595 HG3 LYS 73 2HG LYS 73 3.355 11.352 -1.753 596 HD2 LYS 73 1HD LYS 73 5.541 11.936 -2.386 597 HD3 LYS 73 2HD LYS 73 4.639 13.426 -2.690 598 HE2 LYS 73 1HE LYS 73 5.448 13.936 -0.064 599 HE3 LYS 73 2HE LYS 73 6.643 12.705 -0.442 600 HZ1 LYS 73 3HZ LYS 73 7.369 14.075 -2.415 601 HZ2 LYS 73 1HZ LYS 73 6.160 15.150 -2.163 602 HZ3 LYS 73 2HZ LYS 73 7.399 15.029 -1.074 603 H PHE 74 H PHE 74 3.385 10.995 1.559 604 HA PHE 74 HA PHE 74 3.565 12.186 4.253 605 HB2 PHE 74 1HB PHE 74 3.634 9.640 3.508 606 HB3 PHE 74 2HB PHE 74 5.310 9.888 3.132 607 HD1 PHE 74 HD1 PHE 74 2.731 9.729 5.789 608 HD2 PHE 74 HD2 PHE 74 6.947 10.289 5.098 609 HE1 PHE 74 HE1 PHE 74 3.172 9.430 8.195 610 HE2 PHE 74 HE2 PHE 74 7.372 9.994 7.507 611 HZ PHE 74 HZ PHE 74 5.489 9.570 9.061 612 HA PRO 75 HA PRO 75 7.431 14.602 3.371 613 HB2 PRO 75 1HB PRO 75 8.131 15.337 5.949 614 HB3 PRO 75 2HB PRO 75 6.741 16.002 5.068 615 HG2 PRO 75 1HG PRO 75 6.706 13.694 7.108 616 HG3 PRO 75 2HG PRO 75 5.685 15.158 7.115 617 HD2 PRO 75 1HD PRO 75 4.787 12.768 6.043 618 HD3 PRO 75 2HD PRO 75 4.319 14.313 5.274 619 H ALA 76 H ALA 76 8.101 12.500 2.624 620 HA ALA 76 HA ALA 76 9.930 10.865 4.280 621 HB1 ALA 76 3HB ALA 76 9.114 10.659 1.311 622 HB2 ALA 76 1HB ALA 76 9.957 9.400 2.232 623 HB3 ALA 76 2HB ALA 76 8.307 9.871 2.691 624 H PHE 77 H PHE 77 12.008 10.917 4.384 625 HA PHE 77 HA PHE 77 13.646 12.789 2.674 626 HB2 PHE 77 1HB PHE 77 15.205 12.876 4.470 627 HB3 PHE 77 2HB PHE 77 13.645 12.945 5.202 628 HD1 PHE 77 HD2 PHE 77 12.784 10.899 6.539 629 HD2 PHE 77 HD1 PHE 77 16.747 10.970 4.841 630 HE1 PHE 77 HE2 PHE 77 13.446 9.000 7.967 631 HE2 PHE 77 HE1 PHE 77 17.384 9.067 6.248 632 HZ PHE 77 HZ PHE 77 15.742 8.080 7.830 633 HA PRO 78 HA PRO 78 15.852 9.327 0.589 634 HB2 PRO 78 1HB PRO 78 18.309 10.384 -0.006 635 HB3 PRO 78 2HB PRO 78 16.796 10.943 -0.745 636 HG2 PRO 78 1HG PRO 78 18.261 12.169 1.683 637 HG3 PRO 78 2HG PRO 78 17.763 13.032 0.218 638 HD2 PRO 78 1HD PRO 78 16.230 13.009 2.527 639 HD3 PRO 78 2HD PRO 78 15.416 13.021 0.939 640 H GLY 79 H GLY 79 15.945 7.759 2.091 641 HA2 GLY 79 1HA GLY 79 18.591 7.254 3.535 642 HA3 GLY 79 2HA GLY 79 17.123 7.393 4.512 Start of MODEL 19 1 H1 PHE 1 1H PHE 1 -13.250 11.520 -0.037 2 H2 PHE 1 2H PHE 1 -14.603 12.376 -0.356 3 HA PHE 1 HA PHE 1 -13.637 13.305 -2.369 4 HB2 PHE 1 1HB PHE 1 -12.170 13.739 0.326 5 HB3 PHE 1 2HB PHE 1 -11.855 14.745 -1.061 6 HD1 PHE 1 HD1 PHE 1 -13.926 15.909 -2.249 7 HD2 PHE 1 HD2 PHE 1 -13.971 14.466 1.810 8 HE1 PHE 1 HE1 PHE 1 -15.777 17.449 -1.713 9 HE2 PHE 1 HE2 PHE 1 -15.807 16.019 2.334 10 HZ PHE 1 HZ PHE 1 -16.716 17.513 0.578 11 H ASN 2 H ASN 2 -11.670 13.886 -3.457 12 HA ASN 2 HA ASN 2 -9.970 11.538 -4.097 13 HB2 ASN 2 1HB ASN 2 -10.696 13.333 -5.771 14 HB3 ASN 2 2HB ASN 2 -9.596 14.467 -4.996 15 HD21 ASN 2 1HD2 ASN 2 -7.501 14.423 -5.843 16 HD22 ASN 2 2HD2 ASN 2 -6.885 13.072 -6.936 17 H VAL 3 H VAL 3 -9.342 14.451 -2.196 18 HA VAL 3 HA VAL 3 -6.447 13.862 -1.793 19 HB VAL 3 HB VAL 3 -7.289 16.143 -1.766 20 HG11 VAL 3 1HG1 VAL 3 -8.386 17.189 0.178 21 HG12 VAL 3 2HG1 VAL 3 -9.453 15.927 -0.458 22 HG13 VAL 3 3HG1 VAL 3 -8.529 15.637 1.026 23 HG21 VAL 3 3HG2 VAL 3 -5.889 15.366 0.872 24 HG22 VAL 3 1HG2 VAL 3 -5.110 15.597 -0.712 25 HG23 VAL 3 2HG2 VAL 3 -5.890 16.966 0.106 26 H LYS 4 H LYS 4 -5.796 12.111 -0.745 27 HA LYS 4 HA LYS 4 -7.266 11.202 1.795 28 HB2 LYS 4 1HB LYS 4 -6.633 9.268 -0.523 29 HB3 LYS 4 2HB LYS 4 -7.248 8.848 1.073 30 HG2 LYS 4 1HG LYS 4 -9.268 10.513 0.527 31 HG3 LYS 4 2HG LYS 4 -8.666 10.503 -1.100 32 HD2 LYS 4 1HD LYS 4 -10.438 8.990 -1.042 33 HD3 LYS 4 2HD LYS 4 -8.999 7.999 -1.254 34 HE2 LYS 4 1HE LYS 4 -9.048 7.285 1.142 35 HE3 LYS 4 2HE LYS 4 -10.277 8.489 1.538 36 HZ1 LYS 4 3HZ LYS 4 -11.878 7.334 0.068 37 HZ2 LYS 4 1HZ LYS 4 -10.761 6.249 -0.437 38 HZ3 LYS 4 2HZ LYS 4 -11.295 6.217 1.119 39 H GLN 5 H GLN 5 -5.888 11.044 3.336 40 HA GLN 5 HA GLN 5 -3.009 11.138 3.004 41 HB2 GLN 5 1HB GLN 5 -4.930 10.861 5.392 42 HB3 GLN 5 2HB GLN 5 -3.231 10.622 5.693 43 HG2 GLN 5 1HG GLN 5 -4.274 13.175 4.324 44 HG3 GLN 5 2HG GLN 5 -4.124 12.963 6.065 45 HE21 GLN 5 1HE2 GLN 5 -2.688 14.808 5.877 46 HE22 GLN 5 2HE2 GLN 5 -0.986 14.545 5.223 47 H LYS 6 H LYS 6 -1.491 9.870 4.235 48 HA LYS 6 HA LYS 6 -1.255 7.453 2.695 49 HB2 LYS 6 1HB LYS 6 0.563 9.067 4.418 50 HB3 LYS 6 2HB LYS 6 0.914 7.373 4.537 51 HG2 LYS 6 1HG LYS 6 2.267 8.150 2.822 52 HG3 LYS 6 2HG LYS 6 1.107 7.116 2.091 53 HD2 LYS 6 1HD LYS 6 1.017 10.205 2.092 54 HD3 LYS 6 2HD LYS 6 1.803 9.222 0.863 55 HE2 LYS 6 1HE LYS 6 -0.479 8.163 0.304 56 HE3 LYS 6 2HE LYS 6 -1.254 9.323 1.376 57 HZ1 LYS 6 3HZ LYS 6 -0.274 11.131 0.053 58 HZ2 LYS 6 1HZ LYS 6 0.432 10.038 -1.011 59 HZ3 LYS 6 2HZ LYS 6 -1.221 10.222 -0.912 60 H SER 7 H SER 7 -1.405 5.397 2.998 61 HA SER 7 HA SER 7 -2.589 4.384 5.665 62 HB2 SER 7 1HB SER 7 -3.596 3.754 2.803 63 HB3 SER 7 2HB SER 7 -4.215 3.054 4.294 64 HG SER 7 HG SER 7 -4.118 5.874 3.879 65 H GLU 8 H GLU 8 -0.810 3.240 6.309 66 HA GLU 8 HA GLU 8 0.530 1.240 4.406 67 HB2 GLU 8 1HB GLU 8 1.493 2.657 6.970 68 HB3 GLU 8 2HB GLU 8 2.373 1.339 6.216 69 HG2 GLU 8 1HG GLU 8 2.665 2.621 4.096 70 HG3 GLU 8 2HG GLU 8 1.652 3.931 4.689 71 H ILE 9 H ILE 9 -0.676 -0.626 4.574 72 HA ILE 9 HA ILE 9 -1.373 -1.651 7.379 73 HB ILE 9 HB ILE 9 -2.684 -2.418 4.724 74 HG12 ILE 9 1HG1 ILE 9 -4.759 -1.349 6.198 75 HG13 ILE 9 2HG1 ILE 9 -3.467 -0.414 6.916 76 HG21 ILE 9 1HG2 ILE 9 -2.780 -4.327 6.301 77 HG22 ILE 9 2HG2 ILE 9 -3.453 -3.285 7.576 78 HG23 ILE 9 3HG2 ILE 9 -4.376 -3.620 6.076 79 HD11 ILE 9 3HD1 ILE 9 -2.881 0.441 4.536 80 HD12 ILE 9 1HD1 ILE 9 -4.245 -0.517 3.915 81 HD13 ILE 9 2HD1 ILE 9 -4.534 0.807 5.056 82 H THR 10 H THR 10 -0.782 -3.512 8.053 83 HA THR 10 HA THR 10 1.566 -4.834 7.159 84 HB THR 10 HB THR 10 -0.641 -5.610 9.177 85 HG1 THR 10 HG1 THR 10 0.929 -4.669 10.626 86 HG21 THR 10 3HG2 THR 10 0.892 -7.596 8.985 87 HG22 THR 10 1HG2 THR 10 2.310 -6.542 9.221 88 HG23 THR 10 2HG2 THR 10 1.119 -6.766 10.521 89 H ALA 11 H ALA 11 2.016 -6.908 6.491 90 HA ALA 11 HA ALA 11 0.508 -8.060 4.428 91 HB1 ALA 11 3HB ALA 11 2.679 -9.474 6.121 92 HB2 ALA 11 1HB ALA 11 2.286 -9.800 4.417 93 HB3 ALA 11 2HB ALA 11 3.009 -8.262 4.860 94 H LEU 12 H LEU 12 -0.767 -9.786 4.095 95 HA LEU 12 HA LEU 12 -1.983 -11.188 6.521 96 HB2 LEU 12 1HB LEU 12 -3.331 -9.167 5.460 97 HB3 LEU 12 2HB LEU 12 -3.560 -10.213 4.057 98 HG LEU 12 HG LEU 12 -4.717 -11.918 5.656 99 HD11 LEU 12 1HD1 LEU 12 -4.626 -9.506 7.610 100 HD12 LEU 12 2HD1 LEU 12 -5.571 -10.990 7.836 101 HD13 LEU 12 3HD1 LEU 12 -3.807 -11.055 7.869 102 HD21 LEU 12 3HD2 LEU 12 -6.843 -10.654 5.699 103 HD22 LEU 12 1HD2 LEU 12 -6.002 -9.119 5.427 104 HD23 LEU 12 2HD2 LEU 12 -6.014 -10.383 4.161 105 H VAL 13 H VAL 13 -2.877 -13.198 6.099 106 HA VAL 13 HA VAL 13 -1.468 -14.966 4.282 107 HB VAL 13 HB VAL 13 -3.157 -16.698 4.896 108 HG11 VAL 13 1HG1 VAL 13 -1.121 -16.437 6.269 109 HG12 VAL 13 2HG1 VAL 13 -1.939 -15.267 7.328 110 HG13 VAL 13 3HG1 VAL 13 -2.499 -16.950 7.260 111 HG21 VAL 13 3HG2 VAL 13 -4.864 -16.340 6.648 112 HG22 VAL 13 1HG2 VAL 13 -4.477 -14.614 6.763 113 HG23 VAL 13 2HG2 VAL 13 -5.215 -15.256 5.286 114 H LYS 14 H LYS 14 -2.042 -16.044 2.446 115 HA LYS 14 HA LYS 14 -3.479 -14.343 0.560 116 HB2 LYS 14 1HB LYS 14 -1.341 -15.697 0.213 117 HB3 LYS 14 2HB LYS 14 -2.301 -17.156 0.055 118 HG2 LYS 14 1HG LYS 14 -3.473 -16.156 -1.979 119 HG3 LYS 14 2HG LYS 14 -2.670 -14.624 -1.688 120 HD2 LYS 14 1HD LYS 14 -0.447 -16.355 -1.903 121 HD3 LYS 14 2HD LYS 14 -1.628 -17.233 -2.860 122 HE2 LYS 14 1HE LYS 14 -2.054 -15.076 -4.232 123 HE3 LYS 14 2HE LYS 14 -0.855 -14.236 -3.235 124 HZ1 LYS 14 3HZ LYS 14 0.231 -15.087 -5.273 125 HZ2 LYS 14 1HZ LYS 14 0.841 -15.928 -3.998 126 HZ3 LYS 14 2HZ LYS 14 -0.266 -16.631 -4.987 127 H GLU 15 H GLU 15 -5.160 -14.633 -0.714 128 HA GLU 15 HA GLU 15 -7.516 -16.028 0.125 129 HB2 GLU 15 1HB GLU 15 -6.859 -14.747 -2.620 130 HB3 GLU 15 2HB GLU 15 -8.454 -15.064 -1.970 131 HG2 GLU 15 1HG GLU 15 -8.185 -12.770 -1.679 132 HG3 GLU 15 2HG GLU 15 -7.961 -13.387 -0.060 133 H VAL 16 H VAL 16 -7.754 -18.183 -0.025 134 HA VAL 16 HA VAL 16 -6.849 -19.747 -2.508 135 HB VAL 16 HB VAL 16 -6.372 -20.639 0.425 136 HG11 VAL 16 1HG1 VAL 16 -6.770 -22.617 -1.050 137 HG12 VAL 16 2HG1 VAL 16 -5.544 -22.044 -2.215 138 HG13 VAL 16 3HG1 VAL 16 -5.081 -22.540 -0.569 139 HG21 VAL 16 3HG2 VAL 16 -4.663 -18.895 -0.228 140 HG22 VAL 16 1HG2 VAL 16 -3.921 -20.494 -0.092 141 HG23 VAL 16 2HG2 VAL 16 -4.265 -19.804 -1.701 142 H THR 17 H THR 17 -8.286 -21.292 -3.145 143 HA THR 17 HA THR 17 -11.038 -21.293 -1.907 144 HB THR 17 HB THR 17 -10.082 -22.697 -4.463 145 HG1 THR 17 HG1 THR 17 -10.240 -20.260 -4.067 146 HG21 THR 17 3HG2 THR 17 -12.490 -22.787 -5.039 147 HG22 THR 17 1HG2 THR 17 -12.231 -23.744 -3.567 148 HG23 THR 17 2HG2 THR 17 -12.947 -22.124 -3.454 149 HA PRO 18 HA PRO 18 -10.234 -25.869 -0.707 150 HB2 PRO 18 1HB PRO 18 -7.809 -27.172 -1.094 151 HB3 PRO 18 2HB PRO 18 -9.044 -27.018 -2.362 152 HG2 PRO 18 1HG PRO 18 -6.596 -25.186 -1.935 153 HG3 PRO 18 2HG PRO 18 -7.043 -26.048 -3.437 154 HD2 PRO 18 1HD PRO 18 -7.754 -23.417 -3.011 155 HD3 PRO 18 2HD PRO 18 -8.873 -24.508 -3.867 156 HA PRO 19 HA PRO 19 -8.581 -24.599 3.227 157 HB2 PRO 19 1HB PRO 19 -8.471 -26.875 4.804 158 HB3 PRO 19 2HB PRO 19 -9.967 -26.182 4.137 159 HG2 PRO 19 1HG PRO 19 -8.273 -28.460 2.924 160 HG3 PRO 19 2HG PRO 19 -10.019 -28.507 3.301 161 HD2 PRO 19 1HD PRO 19 -9.171 -27.910 0.751 162 HD3 PRO 19 2HD PRO 19 -10.557 -27.015 1.453 163 H ARG 20 H ARG 20 -6.630 -23.985 2.074 164 HA ARG 20 HA ARG 20 -4.190 -24.843 3.702 165 HB2 ARG 20 1HB ARG 20 -4.531 -25.841 1.126 166 HB3 ARG 20 2HB ARG 20 -3.854 -24.306 0.689 167 HG2 ARG 20 1HG ARG 20 -1.860 -25.449 0.876 168 HG3 ARG 20 2HG ARG 20 -1.951 -24.969 2.550 169 HD2 ARG 20 1HD ARG 20 -1.519 -27.299 2.765 170 HD3 ARG 20 2HD ARG 20 -3.249 -27.250 2.973 171 HE ARG 20 HE ARG 20 -3.611 -28.189 0.733 172 HH11 ARG 20 2HH2 ARG 20 -0.212 -27.806 1.354 173 HH12 ARG 20 1HH2 ARG 20 0.239 -28.769 -0.134 174 HH21 ARG 20 2HH1 ARG 20 -3.067 -29.248 -0.957 175 HH22 ARG 20 1HH1 ARG 20 -1.320 -29.524 -1.369 176 H LYS 21 H LYS 21 -2.998 -23.106 4.366 177 HA LYS 21 HA LYS 21 -3.654 -20.329 3.198 178 HB2 LYS 21 1HB LYS 21 -2.806 -21.162 6.025 179 HB3 LYS 21 2HB LYS 21 -2.728 -19.506 5.478 180 HG2 LYS 21 1HG LYS 21 -5.327 -21.189 5.567 181 HG3 LYS 21 2HG LYS 21 -4.763 -20.086 6.794 182 HD2 LYS 21 1HD LYS 21 -6.042 -18.535 5.813 183 HD3 LYS 21 2HD LYS 21 -4.691 -18.299 4.725 184 HE2 LYS 21 1HE LYS 21 -5.839 -20.007 3.089 185 HE3 LYS 21 2HE LYS 21 -7.189 -20.064 4.213 186 HZ1 LYS 21 3HZ LYS 21 -6.219 -17.668 2.633 187 HZ2 LYS 21 1HZ LYS 21 -7.738 -18.304 2.673 188 HZ3 LYS 21 2HZ LYS 21 -7.175 -17.454 3.960 189 H ALA 22 H ALA 22 -2.211 -19.792 1.778 190 HA ALA 22 HA ALA 22 0.722 -20.367 2.095 191 HB1 ALA 22 3HB ALA 22 0.931 -19.282 -0.132 192 HB2 ALA 22 1HB ALA 22 -0.317 -20.535 -0.139 193 HB3 ALA 22 2HB ALA 22 -0.781 -18.819 -0.108 194 HA PRO 23 HA PRO 23 1.075 -16.206 4.154 195 HB2 PRO 23 1HB PRO 23 3.642 -16.346 5.113 196 HB3 PRO 23 2HB PRO 23 2.319 -17.365 5.726 197 HG2 PRO 23 1HG PRO 23 4.413 -18.139 3.595 198 HG3 PRO 23 2HG PRO 23 4.021 -19.038 5.091 199 HD2 PRO 23 1HD PRO 23 2.863 -19.676 2.646 200 HD3 PRO 23 2HD PRO 23 1.933 -19.837 4.170 201 H SER 24 H SER 24 0.726 -15.303 2.055 202 HA SER 24 HA SER 24 2.932 -14.632 0.245 203 HB2 SER 24 1HB SER 24 0.639 -15.092 -0.458 204 HB3 SER 24 2HB SER 24 0.044 -13.580 0.256 205 HG SER 24 HG SER 24 1.024 -12.478 -1.320 206 H LYS 25 H LYS 25 3.784 -12.660 -0.292 207 HA LYS 25 HA LYS 25 4.215 -10.752 2.017 208 HB2 LYS 25 1HB LYS 25 5.534 -11.002 -0.754 209 HB3 LYS 25 2HB LYS 25 5.748 -9.574 0.213 210 HG2 LYS 25 1HG LYS 25 7.624 -10.900 0.597 211 HG3 LYS 25 2HG LYS 25 6.716 -10.801 2.097 212 HD2 LYS 25 1HD LYS 25 5.763 -13.138 1.642 213 HD3 LYS 25 2HD LYS 25 6.722 -13.251 0.182 214 HE2 LYS 25 1HE LYS 25 7.884 -12.829 3.041 215 HE3 LYS 25 2HE LYS 25 7.579 -14.412 2.341 216 HZ1 LYS 25 3HZ LYS 25 9.434 -12.401 1.054 217 HZ2 LYS 25 1HZ LYS 25 9.950 -13.665 1.970 218 HZ3 LYS 25 2HZ LYS 25 9.192 -13.936 0.539 219 H ALA 26 H ALA 26 2.285 -9.720 2.267 220 HA ALA 26 HA ALA 26 1.158 -8.052 -0.011 221 HB1 ALA 26 3HB ALA 26 -0.923 -8.051 1.335 222 HB2 ALA 26 1HB ALA 26 -0.345 -9.710 1.066 223 HB3 ALA 26 2HB ALA 26 -0.125 -8.950 2.628 224 H LYS 27 H LYS 27 1.616 -6.004 -0.064 225 HA LYS 27 HA LYS 27 1.785 -4.392 2.557 226 HB2 LYS 27 1HB LYS 27 3.688 -4.085 0.128 227 HB3 LYS 27 2HB LYS 27 3.370 -2.812 1.276 228 HG2 LYS 27 1HG LYS 27 5.254 -3.641 2.192 229 HG3 LYS 27 2HG LYS 27 4.021 -4.353 3.197 230 HD2 LYS 27 1HD LYS 27 4.410 -6.331 1.152 231 HD3 LYS 27 2HD LYS 27 6.007 -5.657 1.306 232 HE2 LYS 27 1HE LYS 27 4.269 -6.778 3.631 233 HE3 LYS 27 2HE LYS 27 5.468 -7.718 2.761 234 HZ1 LYS 27 3HZ LYS 27 7.233 -6.121 3.548 235 HZ2 LYS 27 1HZ LYS 27 6.120 -5.198 4.307 236 HZ3 LYS 27 2HZ LYS 27 6.439 -6.711 4.866 237 H ARG 28 H ARG 28 0.299 -2.887 2.669 238 HA ARG 28 HA ARG 28 -1.183 -2.034 0.118 239 HB2 ARG 28 1HB ARG 28 -2.508 -1.658 2.793 240 HB3 ARG 28 2HB ARG 28 -3.186 -1.824 1.203 241 HG2 ARG 28 1HG ARG 28 -2.525 -4.372 1.323 242 HG3 ARG 28 2HG ARG 28 -2.009 -4.066 2.971 243 HD2 ARG 28 1HD ARG 28 -4.388 -3.207 3.513 244 HD3 ARG 28 2HD ARG 28 -4.907 -3.673 1.921 245 HE ARG 28 HE ARG 28 -3.903 -5.549 4.149 246 HH11 ARG 28 2HH2 ARG 28 -5.295 -5.373 0.964 247 HH12 ARG 28 1HH2 ARG 28 -5.842 -7.115 1.043 248 HH21 ARG 28 2HH1 ARG 28 -4.498 -7.504 4.176 249 HH22 ARG 28 1HH1 ARG 28 -5.371 -8.252 2.766 250 H GLU 29 H GLU 29 -0.413 -0.075 -0.416 251 HA GLU 29 HA GLU 29 0.411 1.944 1.746 252 HB2 GLU 29 1HB GLU 29 2.304 0.940 -0.458 253 HB3 GLU 29 2HB GLU 29 2.626 2.299 0.597 254 HG2 GLU 29 1HG GLU 29 2.903 0.962 2.570 255 HG3 GLU 29 2HG GLU 29 2.101 -0.434 1.904 256 H ALA 30 H ALA 30 -0.033 3.976 1.154 257 HA ALA 30 HA ALA 30 -0.855 4.593 -1.712 258 HB1 ALA 30 3HB ALA 30 -2.452 5.103 0.095 259 HB2 ALA 30 1HB ALA 30 -1.257 6.161 0.892 260 HB3 ALA 30 2HB ALA 30 -1.924 6.596 -0.665 261 HA PRO 31 HA PRO 31 3.073 7.106 -1.858 262 HB2 PRO 31 1HB PRO 31 3.689 6.913 -4.489 263 HB3 PRO 31 2HB PRO 31 3.878 5.583 -3.343 264 HG2 PRO 31 1HG PRO 31 1.491 6.043 -5.258 265 HG3 PRO 31 2HG PRO 31 2.456 4.553 -5.100 266 HD2 PRO 31 1HD PRO 31 0.061 4.898 -3.749 267 HD3 PRO 31 2HD PRO 31 1.411 3.984 -3.012 268 H ILE 32 H ILE 32 1.664 7.999 -4.926 269 HA ILE 32 HA ILE 32 1.011 10.763 -3.784 270 HB ILE 32 HB ILE 32 1.986 11.756 -5.955 271 HG12 ILE 32 1HG1 ILE 32 3.455 9.067 -6.107 272 HG13 ILE 32 2HG1 ILE 32 2.313 9.694 -7.262 273 HG21 ILE 32 1HG2 ILE 32 2.913 11.964 -3.613 274 HG22 ILE 32 2HG2 ILE 32 4.034 10.619 -3.965 275 HG23 ILE 32 3HG2 ILE 32 4.099 12.137 -4.891 276 HD11 ILE 32 3HD1 ILE 32 4.056 11.732 -7.547 277 HD12 ILE 32 1HD1 ILE 32 5.165 10.653 -6.697 278 HD13 ILE 32 2HD1 ILE 32 4.500 10.141 -8.212 279 H LYS 33 H LYS 33 -0.820 11.622 -4.404 280 HA LYS 33 HA LYS 33 -2.559 10.316 -6.454 281 HB2 LYS 33 1HB LYS 33 -3.125 11.511 -4.055 282 HB3 LYS 33 2HB LYS 33 -3.264 12.941 -5.030 283 HG2 LYS 33 1HG LYS 33 -5.420 11.974 -4.674 284 HG3 LYS 33 2HG LYS 33 -5.088 11.767 -6.400 285 HD2 LYS 33 1HD LYS 33 -4.861 9.434 -6.259 286 HD3 LYS 33 2HD LYS 33 -4.164 9.487 -4.655 287 HE2 LYS 33 1HE LYS 33 -6.154 8.395 -4.240 288 HE3 LYS 33 2HE LYS 33 -6.447 10.010 -3.643 289 HZ1 LYS 33 3HZ LYS 33 -8.329 9.137 -5.114 290 HZ2 LYS 33 1HZ LYS 33 -7.707 10.482 -5.809 291 HZ3 LYS 33 2HZ LYS 33 -7.281 9.012 -6.393 292 H TYR 34 H TYR 34 -0.329 12.759 -6.704 293 HA TYR 34 HA TYR 34 -1.515 14.247 -9.056 294 HB2 TYR 34 1HB TYR 34 0.137 15.259 -7.420 295 HB3 TYR 34 2HB TYR 34 1.368 14.147 -7.963 296 HD1 TYR 34 HD1 TYR 34 -0.887 16.950 -9.162 297 HD2 TYR 34 HD2 TYR 34 2.761 14.752 -9.874 298 HE1 TYR 34 HE1 TYR 34 -0.173 18.634 -10.800 299 HE2 TYR 34 HE2 TYR 34 3.457 16.450 -11.493 300 HH TYR 34 HH TYR 34 2.790 18.268 -12.682 301 H TRP 35 H TRP 35 1.008 11.719 -8.735 302 HA TRP 35 HA TRP 35 1.105 11.280 -11.727 303 HB2 TRP 35 1HB TRP 35 3.149 11.190 -10.259 304 HB3 TRP 35 2HB TRP 35 2.478 9.797 -9.412 305 HD1 TRP 35 HD1 TRP 35 3.187 7.423 -10.319 306 HE1 TRP 35 HE1 TRP 35 4.519 6.457 -12.366 307 HE3 TRP 35 HE3 TRP 35 3.518 11.816 -12.967 308 HZ2 TRP 35 HZ2 TRP 35 5.585 7.601 -14.731 309 HZ3 TRP 35 HZ3 TRP 35 4.788 11.808 -15.103 310 HH2 TRP 35 HH2 TRP 35 5.800 9.747 -15.966 311 H LEU 36 H LEU 36 -0.166 9.391 -8.863 312 HA LEU 36 HA LEU 36 -1.427 7.458 -10.879 313 HB2 LEU 36 1HB LEU 36 -0.797 6.977 -7.909 314 HB3 LEU 36 2HB LEU 36 -1.583 5.834 -8.987 315 HG LEU 36 HG LEU 36 1.310 6.862 -9.241 316 HD11 LEU 36 1HD1 LEU 36 0.947 5.347 -7.309 317 HD12 LEU 36 2HD1 LEU 36 0.190 4.122 -8.350 318 HD13 LEU 36 3HD1 LEU 36 1.914 4.529 -8.545 319 HD21 LEU 36 3HD2 LEU 36 1.607 5.059 -10.981 320 HD22 LEU 36 1HD2 LEU 36 -0.136 4.716 -10.950 321 HD23 LEU 36 2HD2 LEU 36 0.467 6.290 -11.526 322 HA PRO 37 HA PRO 37 -5.262 9.440 -9.319 323 HB2 PRO 37 1HB PRO 37 -7.205 7.938 -10.643 324 HB3 PRO 37 2HB PRO 37 -6.160 9.146 -11.412 325 HG2 PRO 37 1HG PRO 37 -5.691 6.103 -11.295 326 HG3 PRO 37 2HG PRO 37 -5.704 7.141 -12.745 327 HD2 PRO 37 1HD PRO 37 -3.335 6.467 -11.500 328 HD3 PRO 37 2HD PRO 37 -3.536 8.116 -12.181 329 H HIS 38 H HIS 38 -4.586 6.092 -8.647 330 HA HIS 38 HA HIS 38 -6.243 6.379 -6.057 331 HB2 HIS 38 1HB HIS 38 -7.108 4.729 -7.820 332 HB3 HIS 38 2HB HIS 38 -5.654 3.771 -7.605 333 HD1 HIS 38 HD1 HIS 38 -9.098 3.823 -6.484 334 HD2 HIS 38 HD2 HIS 38 -5.295 3.084 -4.646 335 HE1 HIS 38 HE1 HIS 38 -9.425 2.449 -4.318 336 HE2 HIS 38 HE2 HIS 38 -7.148 1.907 -3.166 337 H SER 39 H SER 39 -4.415 7.345 -5.037 338 HA SER 39 HA SER 39 -2.049 5.706 -4.325 339 HB2 SER 39 1HB SER 39 -1.577 7.328 -2.645 340 HB3 SER 39 2HB SER 39 -2.085 8.181 -4.089 341 HG SER 39 HG SER 39 -3.914 7.472 -2.029 342 H GLY 40 H GLY 40 -2.464 3.758 -3.562 343 HA2 GLY 40 1HA GLY 40 -2.736 2.962 -0.989 344 HA3 GLY 40 2HA GLY 40 -4.449 3.224 -1.288 345 H ALA 41 H ALA 41 -1.628 1.409 -2.338 346 HA ALA 41 HA ALA 41 -3.426 -0.524 -3.924 347 HB1 ALA 41 3HB ALA 41 -0.508 0.340 -4.446 348 HB2 ALA 41 1HB ALA 41 -1.445 -0.800 -5.425 349 HB3 ALA 41 2HB ALA 41 -1.970 0.879 -5.308 350 H THR 42 H THR 42 -3.647 -2.436 -3.110 351 HA THR 42 HA THR 42 -1.621 -3.745 -1.290 352 HB THR 42 HB THR 42 -3.895 -3.808 -0.566 353 HG1 THR 42 HG1 THR 42 -3.236 -6.396 -1.436 354 HG21 THR 42 3HG2 THR 42 -4.655 -5.585 -2.982 355 HG22 THR 42 1HG2 THR 42 -5.628 -5.246 -1.534 356 HG23 THR 42 2HG2 THR 42 -5.263 -3.946 -2.664 357 H TRP 43 H TRP 43 0.027 -4.701 -2.267 358 HA TRP 43 HA TRP 43 -0.481 -6.492 -4.733 359 HB2 TRP 43 1HB TRP 43 1.117 -4.546 -5.040 360 HB3 TRP 43 2HB TRP 43 2.233 -5.321 -3.904 361 HD1 TRP 43 HD1 TRP 43 1.820 -8.488 -5.214 362 HE1 TRP 43 HE1 TRP 43 3.066 -9.095 -7.422 363 HE3 TRP 43 HE3 TRP 43 2.549 -3.659 -6.913 364 HZ2 TRP 43 HZ2 TRP 43 4.281 -7.607 -9.469 365 HZ3 TRP 43 HZ3 TRP 43 3.895 -3.355 -8.969 366 HH2 TRP 43 HH2 TRP 43 4.767 -5.293 -10.210 367 H SER 44 H SER 44 -0.922 -8.426 -3.875 368 HA SER 44 HA SER 44 0.657 -9.542 -1.504 369 HB2 SER 44 1HB SER 44 -1.843 -9.499 -1.426 370 HB3 SER 44 2HB SER 44 -1.917 -10.599 -2.814 371 HG SER 44 HG SER 44 -2.017 -11.673 -0.796 372 H GLY 45 H GLY 45 2.585 -10.018 -2.506 373 HA2 GLY 45 1HA GLY 45 3.135 -12.638 -3.425 374 HA3 GLY 45 2HA GLY 45 2.723 -11.841 -4.939 375 H ARG 46 H ARG 46 3.965 -9.857 -5.407 376 HA ARG 46 HA ARG 46 6.924 -10.145 -4.775 377 HB2 ARG 46 1HB ARG 46 6.347 -9.823 -7.095 378 HB3 ARG 46 2HB ARG 46 5.399 -8.395 -6.788 379 HG2 ARG 46 1HG ARG 46 8.394 -8.353 -6.075 380 HG3 ARG 46 2HG ARG 46 7.881 -8.340 -7.753 381 HD2 ARG 46 1HD ARG 46 6.338 -6.317 -7.180 382 HD3 ARG 46 2HD ARG 46 7.127 -6.208 -5.629 383 HE ARG 46 HE ARG 46 8.363 -5.720 -8.388 384 HH11 ARG 46 2HH2 ARG 46 8.976 -5.693 -4.930 385 HH12 ARG 46 1HH2 ARG 46 10.490 -4.718 -5.181 386 HH21 ARG 46 2HH1 ARG 46 10.074 -4.607 -8.582 387 HH22 ARG 46 1HH1 ARG 46 11.061 -4.141 -7.131 388 H GLY 47 H GLY 47 7.908 -8.843 -3.433 389 HA2 GLY 47 1HA GLY 47 6.348 -7.197 -1.453 390 HA3 GLY 47 2HA GLY 47 8.071 -7.495 -1.402 391 H LYS 48 H LYS 48 5.643 -5.622 -3.074 392 HA LYS 48 HA LYS 48 7.609 -3.491 -3.868 393 HB2 LYS 48 1HB LYS 48 5.987 -2.429 -5.067 394 HB3 LYS 48 2HB LYS 48 5.665 -4.117 -5.263 395 HG2 LYS 48 1HG LYS 48 3.506 -3.573 -4.905 396 HG3 LYS 48 2HG LYS 48 3.887 -3.648 -3.204 397 HD2 LYS 48 1HD LYS 48 4.490 -1.051 -3.428 398 HD3 LYS 48 2HD LYS 48 3.829 -1.162 -5.043 399 HE2 LYS 48 1HE LYS 48 2.022 -0.321 -3.767 400 HE3 LYS 48 2HE LYS 48 1.586 -2.018 -3.987 401 HZ1 LYS 48 3HZ LYS 48 1.339 -1.404 -1.614 402 HZ2 LYS 48 1HZ LYS 48 2.583 -2.452 -1.710 403 HZ3 LYS 48 2HZ LYS 48 2.920 -0.902 -1.489 404 H ILE 49 H ILE 49 8.515 -2.346 -2.277 405 HA ILE 49 HA ILE 49 6.690 -0.889 -0.275 406 HB ILE 49 HB ILE 49 9.724 -1.379 0.101 407 HG12 ILE 49 1HG1 ILE 49 8.776 -2.643 2.255 408 HG13 ILE 49 2HG1 ILE 49 7.265 -2.789 1.368 409 HG21 ILE 49 1HG2 ILE 49 8.847 0.742 1.111 410 HG22 ILE 49 2HG2 ILE 49 7.593 -0.157 1.986 411 HG23 ILE 49 3HG2 ILE 49 9.319 -0.411 2.369 412 HD11 ILE 49 3HD1 ILE 49 8.772 -4.831 1.277 413 HD12 ILE 49 1HD1 ILE 49 8.442 -4.227 -0.350 414 HD13 ILE 49 2HD1 ILE 49 10.007 -3.900 0.413 415 HA PRO 50 HA PRO 50 8.383 2.389 -3.177 416 HB2 PRO 50 1HB PRO 50 6.395 4.284 -2.970 417 HB3 PRO 50 2HB PRO 50 6.102 2.702 -3.725 418 HG2 PRO 50 1HG PRO 50 5.477 3.511 -0.811 419 HG3 PRO 50 2HG PRO 50 4.348 2.786 -1.983 420 HD2 PRO 50 1HD PRO 50 5.812 1.298 -0.109 421 HD3 PRO 50 2HD PRO 50 5.310 0.603 -1.683 422 H LYS 51 H LYS 51 9.639 2.050 -0.855 423 HA LYS 51 HA LYS 51 9.961 4.635 0.602 424 HB2 LYS 51 1HB LYS 51 11.368 1.939 0.779 425 HB3 LYS 51 2HB LYS 51 12.212 3.308 1.433 426 HG2 LYS 51 1HG LYS 51 9.331 2.567 2.275 427 HG3 LYS 51 2HG LYS 51 10.772 1.899 2.994 428 HD2 LYS 51 1HD LYS 51 10.246 3.521 4.511 429 HD3 LYS 51 2HD LYS 51 11.557 4.244 3.624 430 HE2 LYS 51 1HE LYS 51 9.900 5.918 4.146 431 HE3 LYS 51 2HE LYS 51 9.977 5.773 2.408 432 HZ1 LYS 51 3HZ LYS 51 7.593 5.796 3.133 433 HZ2 LYS 51 1HZ LYS 51 7.897 4.293 2.558 434 HZ3 LYS 51 2HZ LYS 51 7.816 4.540 4.164 435 HA PRO 52 HA PRO 52 13.765 5.678 -2.116 436 HB2 PRO 52 1HB PRO 52 14.387 4.255 -4.413 437 HB3 PRO 52 2HB PRO 52 14.986 3.827 -2.799 438 HG2 PRO 52 1HG PRO 52 12.543 2.637 -4.244 439 HG3 PRO 52 2HG PRO 52 13.901 1.749 -3.508 440 HD2 PRO 52 1HD PRO 52 11.515 2.161 -2.174 441 HD3 PRO 52 2HD PRO 52 13.059 2.135 -1.268 442 H PHE 53 H PHE 53 10.721 4.695 -3.387 443 HA PHE 53 HA PHE 53 10.671 6.727 -5.624 444 HB2 PHE 53 1HB PHE 53 9.486 4.592 -5.945 445 HB3 PHE 53 2HB PHE 53 8.476 4.869 -4.541 446 HD1 PHE 53 HD2 PHE 53 9.378 6.393 -7.897 447 HD2 PHE 53 HD1 PHE 53 6.446 6.200 -4.759 448 HE1 PHE 53 HE2 PHE 53 7.750 7.537 -9.350 449 HE2 PHE 53 HE1 PHE 53 4.854 7.415 -6.182 450 HZ PHE 53 HZ PHE 53 5.475 8.038 -8.507 451 H GLU 54 H GLU 54 8.781 6.350 -2.508 452 HA GLU 54 HA GLU 54 7.786 9.134 -2.686 453 HB2 GLU 54 1HB GLU 54 6.609 7.243 -1.495 454 HB3 GLU 54 2HB GLU 54 7.831 7.276 -0.231 455 HG2 GLU 54 1HG GLU 54 7.184 9.661 0.331 456 HG3 GLU 54 2HG GLU 54 6.020 9.672 -1.000 457 H ALA 55 H ALA 55 10.734 7.868 -1.484 458 HA ALA 55 HA ALA 55 11.620 10.288 0.059 459 HB1 ALA 55 3HB ALA 55 13.863 9.175 -0.035 460 HB2 ALA 55 1HB ALA 55 12.635 8.126 0.670 461 HB3 ALA 55 2HB ALA 55 13.195 7.850 -1.000 462 H TRP 56 H TRP 56 12.374 8.951 -3.266 463 HA TRP 56 HA TRP 56 13.890 11.433 -3.958 464 HB2 TRP 56 1HB TRP 56 14.124 8.976 -4.987 465 HB3 TRP 56 2HB TRP 56 12.876 9.493 -6.105 466 HD1 TRP 56 HD1 TRP 56 14.111 12.672 -6.629 467 HE1 TRP 56 HE1 TRP 56 16.338 13.037 -7.942 468 HE3 TRP 56 HE3 TRP 56 15.951 7.877 -6.110 469 HZ2 TRP 56 HZ2 TRP 56 18.530 11.374 -8.613 470 HZ3 TRP 56 HZ3 TRP 56 18.137 7.349 -7.158 471 HH2 TRP 56 HH2 TRP 56 19.400 9.058 -8.381 472 H ILE 57 H ILE 57 10.551 10.288 -4.589 473 HA ILE 57 HA ILE 57 9.647 12.889 -5.774 474 HB ILE 57 HB ILE 57 8.208 10.513 -4.472 475 HG12 ILE 57 1HG1 ILE 57 9.164 9.898 -6.597 476 HG13 ILE 57 2HG1 ILE 57 7.430 9.882 -6.626 477 HG21 ILE 57 1HG2 ILE 57 6.556 12.588 -5.945 478 HG22 ILE 57 2HG2 ILE 57 6.123 11.175 -4.939 479 HG23 ILE 57 3HG2 ILE 57 6.749 12.619 -4.199 480 HD11 ILE 57 3HD1 ILE 57 7.421 12.070 -7.950 481 HD12 ILE 57 1HD1 ILE 57 9.200 12.081 -7.904 482 HD13 ILE 57 2HD1 ILE 57 8.335 10.776 -8.744 483 H GLY 58 H GLY 58 10.890 12.457 -2.761 484 HA2 GLY 58 1HA GLY 58 9.518 15.014 -1.789 485 HA3 GLY 58 2HA GLY 58 10.227 13.885 -0.657 486 H THR 59 H THR 59 12.707 13.394 -2.065 487 HA THR 59 HA THR 59 14.434 15.060 -0.794 488 HB THR 59 HB THR 59 14.990 14.021 -3.654 489 HG1 THR 59 HG1 THR 59 15.889 12.275 -2.416 490 HG21 THR 59 3HG2 THR 59 17.365 13.746 -2.863 491 HG22 THR 59 1HG2 THR 59 16.912 15.453 -2.841 492 HG23 THR 59 2HG2 THR 59 16.966 14.542 -1.322 493 H ALA 60 H ALA 60 13.334 15.905 -3.953 494 HA ALA 60 HA ALA 60 13.837 18.851 -3.381 495 HB1 ALA 60 3HB ALA 60 15.619 18.183 -5.039 496 HB2 ALA 60 1HB ALA 60 14.369 17.648 -6.188 497 HB3 ALA 60 2HB ALA 60 14.495 19.364 -5.729 498 H ALA 61 H ALA 61 11.795 16.475 -4.975 499 HA ALA 61 HA ALA 61 9.864 18.350 -6.143 500 HB1 ALA 61 3HB ALA 61 9.715 15.371 -5.440 501 HB2 ALA 61 1HB ALA 61 8.445 16.227 -6.332 502 HB3 ALA 61 2HB ALA 61 10.083 16.094 -7.019 503 H TYR 62 H TYR 62 10.088 17.206 -2.898 504 HA TYR 62 HA TYR 62 7.404 17.455 -1.919 505 HB2 TYR 62 1HB TYR 62 9.395 16.754 -0.535 506 HB3 TYR 62 2HB TYR 62 9.956 18.397 -0.482 507 HD1 TYR 62 HD1 TYR 62 6.649 16.546 0.227 508 HD2 TYR 62 HD2 TYR 62 9.564 19.407 1.643 509 HE1 TYR 62 HE1 TYR 62 5.408 16.822 2.343 510 HE2 TYR 62 HE2 TYR 62 8.327 19.614 3.733 511 HH TYR 62 HH TYR 62 5.267 17.881 4.295 512 H THR 63 H THR 63 9.657 20.212 -2.314 513 HA THR 63 HA THR 63 7.689 22.223 -1.403 514 HB THR 63 HB THR 63 10.084 22.615 -1.276 515 HG1 THR 63 HG1 THR 63 9.872 24.779 -2.366 516 HG21 THR 63 3HG2 THR 63 10.090 23.188 -4.316 517 HG22 THR 63 1HG2 THR 63 11.410 23.484 -3.162 518 HG23 THR 63 2HG2 THR 63 10.927 21.828 -3.545 519 H ALA 64 H ALA 64 8.203 20.816 -4.539 520 HA ALA 64 HA ALA 64 6.312 22.701 -5.981 521 HB1 ALA 64 3HB ALA 64 6.671 21.131 -7.930 522 HB2 ALA 64 1HB ALA 64 8.207 21.720 -7.276 523 HB3 ALA 64 2HB ALA 64 7.660 20.070 -6.908 524 H TRP 65 H TRP 65 6.295 19.429 -4.634 525 HA TRP 65 HA TRP 65 3.497 18.763 -5.225 526 HB2 TRP 65 1HB TRP 65 5.760 17.386 -4.274 527 HB3 TRP 65 2HB TRP 65 4.847 17.542 -2.790 528 HD1 TRP 65 HD1 TRP 65 4.841 15.796 -6.266 529 HE1 TRP 65 HE1 TRP 65 2.935 14.019 -6.521 530 HE3 TRP 65 HE3 TRP 65 2.397 16.943 -1.948 531 HZ2 TRP 65 HZ2 TRP 65 0.622 13.371 -4.950 532 HZ3 TRP 65 HZ3 TRP 65 0.293 15.708 -1.367 533 HH2 TRP 65 HH2 TRP 65 -0.555 13.939 -2.851 534 H LYS 66 H LYS 66 4.900 20.356 -2.361 535 HA LYS 66 HA LYS 66 2.327 20.654 -0.928 536 HB2 LYS 66 1HB LYS 66 4.899 22.279 -0.618 537 HB3 LYS 66 2HB LYS 66 3.534 22.320 0.484 538 HG2 LYS 66 1HG LYS 66 5.372 19.877 0.016 539 HG3 LYS 66 2HG LYS 66 5.453 20.981 1.309 540 HD2 LYS 66 1HD LYS 66 4.365 19.392 2.387 541 HD3 LYS 66 2HD LYS 66 2.941 20.216 1.881 542 HE2 LYS 66 1HE LYS 66 4.169 17.930 0.149 543 HE3 LYS 66 2HE LYS 66 3.326 17.552 1.648 544 HZ1 LYS 66 3HZ LYS 66 2.079 18.877 -0.746 545 HZ2 LYS 66 1HZ LYS 66 1.573 17.523 0.052 546 HZ3 LYS 66 2HZ LYS 66 1.420 19.020 0.735 547 H ALA 67 H ALA 67 3.649 22.687 -3.464 548 HA ALA 67 HA ALA 67 1.395 24.642 -3.267 549 HB1 ALA 67 3HB ALA 67 3.180 23.895 -5.673 550 HB2 ALA 67 1HB ALA 67 2.093 25.300 -5.564 551 HB3 ALA 67 2HB ALA 67 3.488 25.183 -4.482 552 H LYS 68 H LYS 68 1.749 21.494 -4.998 553 HA LYS 68 HA LYS 68 -0.923 21.797 -6.348 554 HB2 LYS 68 1HB LYS 68 0.935 19.351 -6.071 555 HB3 LYS 68 2HB LYS 68 -0.526 19.341 -7.030 556 HG2 LYS 68 1HG LYS 68 0.328 20.538 -8.785 557 HG3 LYS 68 2HG LYS 68 1.185 21.675 -7.767 558 HD2 LYS 68 1HD LYS 68 2.891 19.761 -7.229 559 HD3 LYS 68 2HD LYS 68 2.090 18.807 -8.446 560 HE2 LYS 68 1HE LYS 68 4.010 19.774 -9.514 561 HE3 LYS 68 2HE LYS 68 2.625 20.626 -10.201 562 HZ1 LYS 68 3HZ LYS 68 3.097 22.552 -8.792 563 HZ2 LYS 68 1HZ LYS 68 4.045 21.711 -7.764 564 HZ3 LYS 68 2HZ LYS 68 4.601 22.104 -9.284 565 H HIS 69 H HIS 69 0.112 19.894 -3.519 566 HA HIS 69 HA HIS 69 -2.816 19.507 -2.774 567 HB2 HIS 69 1HB HIS 69 -0.835 17.288 -3.431 568 HB3 HIS 69 2HB HIS 69 -1.562 17.095 -1.867 569 HD1 HIS 69 HD1 HIS 69 -3.157 15.124 -2.254 570 HD2 HIS 69 HD2 HIS 69 -3.422 18.171 -5.284 571 HE1 HIS 69 HE1 HIS 69 -5.113 14.634 -3.770 572 HE2 HIS 69 HE2 HIS 69 -5.321 16.369 -5.716 573 HA PRO 70 HA PRO 70 -1.529 21.250 0.944 574 HB2 PRO 70 1HB PRO 70 -3.173 20.241 2.982 575 HB3 PRO 70 2HB PRO 70 -3.697 21.279 1.647 576 HG2 PRO 70 1HG PRO 70 -3.815 18.202 1.756 577 HG3 PRO 70 2HG PRO 70 -5.145 19.323 1.361 578 HD2 PRO 70 1HD PRO 70 -3.725 18.134 -0.656 579 HD3 PRO 70 2HD PRO 70 -4.183 19.858 -0.810 580 H ASP 71 H ASP 71 -1.835 18.424 3.132 581 HA ASP 71 HA ASP 71 1.077 17.777 2.493 582 HB2 ASP 71 1HB ASP 71 0.726 19.060 4.725 583 HB3 ASP 71 2HB ASP 71 0.018 17.573 5.352 584 H GLU 72 H GLU 72 -1.008 16.638 1.229 585 HA GLU 72 HA GLU 72 -1.831 14.114 2.258 586 HB2 GLU 72 1HB GLU 72 -2.564 15.481 0.035 587 HB3 GLU 72 2HB GLU 72 -1.357 14.526 -0.746 588 HG2 GLU 72 1HG GLU 72 -2.774 12.504 0.653 589 HG3 GLU 72 2HG GLU 72 -4.037 13.659 0.344 590 H LYS 73 H LYS 73 1.213 14.662 0.616 591 HA LYS 73 HA LYS 73 1.867 11.685 0.393 592 HB2 LYS 73 1HB LYS 73 2.454 13.221 -1.559 593 HB3 LYS 73 2HB LYS 73 3.534 14.113 -0.510 594 HG2 LYS 73 1HG LYS 73 4.563 11.542 -0.120 595 HG3 LYS 73 2HG LYS 73 3.700 11.249 -1.591 596 HD2 LYS 73 1HD LYS 73 5.861 11.766 -2.326 597 HD3 LYS 73 2HD LYS 73 4.989 13.250 -2.641 598 HE2 LYS 73 1HE LYS 73 7.015 14.017 -1.743 599 HE3 LYS 73 2HE LYS 73 5.921 14.171 -0.374 600 HZ1 LYS 73 3HZ LYS 73 6.815 12.078 0.572 601 HZ2 LYS 73 1HZ LYS 73 7.816 11.800 -0.731 602 HZ3 LYS 73 2HZ LYS 73 8.074 13.060 0.268 603 H PHE 74 H PHE 74 3.517 10.804 1.710 604 HA PHE 74 HA PHE 74 3.717 12.034 4.382 605 HB2 PHE 74 1HB PHE 74 3.652 9.483 3.697 606 HB3 PHE 74 2HB PHE 74 5.337 9.621 3.321 607 HD1 PHE 74 HD1 PHE 74 2.771 9.672 5.998 608 HD2 PHE 74 HD2 PHE 74 7.003 9.930 5.229 609 HE1 PHE 74 HE1 PHE 74 3.234 9.365 8.400 610 HE2 PHE 74 HE2 PHE 74 7.451 9.612 7.631 611 HZ PHE 74 HZ PHE 74 5.571 9.332 9.222 612 HA PRO 75 HA PRO 75 7.577 14.354 3.407 613 HB2 PRO 75 1HB PRO 75 8.310 15.230 5.930 614 HB3 PRO 75 2HB PRO 75 6.878 15.807 5.045 615 HG2 PRO 75 1HG PRO 75 6.961 13.588 7.183 616 HG3 PRO 75 2HG PRO 75 5.898 15.025 7.165 617 HD2 PRO 75 1HD PRO 75 5.012 12.587 6.194 618 HD3 PRO 75 2HD PRO 75 4.528 14.104 5.380 619 H ALA 76 H ALA 76 8.115 12.083 2.876 620 HA ALA 76 HA ALA 76 10.215 10.732 4.401 621 HB1 ALA 76 3HB ALA 76 9.257 10.294 1.497 622 HB2 ALA 76 1HB ALA 76 10.215 9.151 2.448 623 HB3 ALA 76 2HB ALA 76 8.558 9.549 2.960 624 H PHE 77 H PHE 77 12.265 10.981 4.390 625 HA PHE 77 HA PHE 77 13.755 12.625 2.315 626 HB2 PHE 77 1HB PHE 77 15.479 12.908 3.992 627 HB3 PHE 77 2HB PHE 77 13.949 13.257 4.725 628 HD1 PHE 77 HD2 PHE 77 13.002 11.675 6.506 629 HD2 PHE 77 HD1 PHE 77 16.842 10.927 4.694 630 HE1 PHE 77 HE2 PHE 77 13.523 10.028 8.264 631 HE2 PHE 77 HE1 PHE 77 17.348 9.293 6.454 632 HZ PHE 77 HZ PHE 77 15.690 8.826 8.239 633 HA PRO 78 HA PRO 78 15.826 8.807 0.788 634 HB2 PRO 78 1HB PRO 78 18.229 9.728 -0.216 635 HB3 PRO 78 2HB PRO 78 16.648 10.149 -0.915 636 HG2 PRO 78 1HG PRO 78 18.287 11.812 1.101 637 HG3 PRO 78 2HG PRO 78 17.647 12.369 -0.466 638 HD2 PRO 78 1HD PRO 78 16.294 12.813 1.905 639 HD3 PRO 78 2HD PRO 78 15.374 12.461 0.412 640 H GLY 79 H GLY 79 16.075 7.542 2.490 641 HA2 GLY 79 1HA GLY 79 18.723 7.566 4.083 642 HA3 GLY 79 2HA GLY 79 17.150 7.309 4.844 Start of MODEL 20 1 H1 PHE 1 1H PHE 1 -10.991 8.722 -4.782 2 H2 PHE 1 2H PHE 1 -10.216 8.552 -3.355 3 HA PHE 1 HA PHE 1 -11.930 10.831 -4.169 4 HB2 PHE 1 1HB PHE 1 -10.611 10.112 -1.473 5 HB3 PHE 1 2HB PHE 1 -10.717 11.790 -1.896 6 HD1 PHE 1 HD1 PHE 1 -12.899 12.966 -2.151 7 HD2 PHE 1 HD2 PHE 1 -12.765 8.802 -1.045 8 HE1 PHE 1 HE1 PHE 1 -15.262 13.062 -1.475 9 HE2 PHE 1 HE2 PHE 1 -15.133 8.919 -0.362 10 HZ PHE 1 HZ PHE 1 -16.387 11.044 -0.584 11 H ASN 2 H ASN 2 -10.861 12.793 -4.463 12 HA ASN 2 HA ASN 2 -8.185 12.608 -5.786 13 HB2 ASN 2 1HB ASN 2 -10.063 14.111 -6.619 14 HB3 ASN 2 2HB ASN 2 -9.854 15.137 -5.217 15 HD21 ASN 2 1HD2 ASN 2 -8.478 14.182 -8.270 16 HD22 ASN 2 2HD2 ASN 2 -7.213 15.516 -8.267 17 H VAL 3 H VAL 3 -9.332 14.298 -2.787 18 HA VAL 3 HA VAL 3 -6.400 14.435 -1.922 19 HB VAL 3 HB VAL 3 -7.582 16.590 -2.020 20 HG11 VAL 3 1HG1 VAL 3 -9.850 16.005 -1.037 21 HG12 VAL 3 2HG1 VAL 3 -9.094 15.765 0.545 22 HG13 VAL 3 3HG1 VAL 3 -9.052 17.364 -0.223 23 HG21 VAL 3 3HG2 VAL 3 -6.438 15.806 0.736 24 HG22 VAL 3 1HG2 VAL 3 -5.502 16.243 -0.717 25 HG23 VAL 3 2HG2 VAL 3 -6.551 17.446 0.059 26 H LYS 4 H LYS 4 -5.896 12.567 -1.023 27 HA LYS 4 HA LYS 4 -7.510 11.676 1.398 28 HB2 LYS 4 1HB LYS 4 -8.235 10.437 -0.826 29 HB3 LYS 4 2HB LYS 4 -6.702 9.581 -0.714 30 HG2 LYS 4 1HG LYS 4 -7.425 8.913 1.735 31 HG3 LYS 4 2HG LYS 4 -8.980 9.683 1.390 32 HD2 LYS 4 1HD LYS 4 -9.210 8.119 -0.660 33 HD3 LYS 4 2HD LYS 4 -7.746 7.289 -0.152 34 HE2 LYS 4 1HE LYS 4 -10.364 7.547 1.510 35 HE3 LYS 4 2HE LYS 4 -9.940 6.158 0.513 36 HZ1 LYS 4 3HZ LYS 4 -8.263 7.084 2.857 37 HZ2 LYS 4 1HZ LYS 4 -9.296 5.807 2.922 38 HZ3 LYS 4 2HZ LYS 4 -7.957 5.752 1.964 39 H GLN 5 H GLN 5 -6.144 11.620 2.992 40 HA GLN 5 HA GLN 5 -3.285 11.325 2.959 41 HB2 GLN 5 1HB GLN 5 -5.413 10.856 5.148 42 HB3 GLN 5 2HB GLN 5 -3.727 10.656 5.499 43 HG2 GLN 5 1HG GLN 5 -4.177 13.298 4.139 44 HG3 GLN 5 2HG GLN 5 -5.228 13.084 5.509 45 HE21 GLN 5 1HE2 GLN 5 -1.826 12.966 4.586 46 HE22 GLN 5 2HE2 GLN 5 -1.287 13.591 6.187 47 H LYS 6 H LYS 6 -2.077 9.673 4.229 48 HA LYS 6 HA LYS 6 -2.203 7.331 2.399 49 HB2 LYS 6 1HB LYS 6 0.025 8.022 4.405 50 HB3 LYS 6 2HB LYS 6 0.164 6.949 3.038 51 HG2 LYS 6 1HG LYS 6 -0.039 9.998 3.020 52 HG3 LYS 6 2HG LYS 6 1.331 8.971 2.690 53 HD2 LYS 6 1HD LYS 6 0.797 9.855 0.705 54 HD3 LYS 6 2HD LYS 6 0.323 8.202 0.544 55 HE2 LYS 6 1HE LYS 6 -2.105 8.779 0.652 56 HE3 LYS 6 2HE LYS 6 -1.766 10.373 1.263 57 HZ1 LYS 6 3HZ LYS 6 -1.021 11.124 -0.821 58 HZ2 LYS 6 1HZ LYS 6 -0.500 9.662 -1.350 59 HZ3 LYS 6 2HZ LYS 6 -2.127 10.069 -1.345 60 H SER 7 H SER 7 -1.428 5.187 3.073 61 HA SER 7 HA SER 7 -1.933 4.270 5.875 62 HB2 SER 7 1HB SER 7 -3.868 3.335 3.639 63 HB3 SER 7 2HB SER 7 -3.708 2.547 5.207 64 HG SER 7 HG SER 7 -3.999 5.297 5.388 65 H GLU 8 H GLU 8 -0.234 2.941 6.173 66 HA GLU 8 HA GLU 8 0.730 1.130 3.889 67 HB2 GLU 8 1HB GLU 8 2.476 2.231 6.152 68 HB3 GLU 8 2HB GLU 8 2.941 1.056 4.933 69 HG2 GLU 8 1HG GLU 8 2.512 2.714 3.086 70 HG3 GLU 8 2HG GLU 8 2.004 3.917 4.283 71 H ILE 9 H ILE 9 -0.133 -0.880 4.261 72 HA ILE 9 HA ILE 9 -0.578 -1.767 7.164 73 HB ILE 9 HB ILE 9 -1.876 -2.961 4.671 74 HG12 ILE 9 1HG1 ILE 9 -2.743 -0.711 4.763 75 HG13 ILE 9 2HG1 ILE 9 -3.988 -1.844 5.230 76 HG21 ILE 9 1HG2 ILE 9 -1.844 -4.558 6.544 77 HG22 ILE 9 2HG2 ILE 9 -2.644 -3.394 7.613 78 HG23 ILE 9 3HG2 ILE 9 -3.484 -4.035 6.166 79 HD11 ILE 9 3HD1 ILE 9 -2.379 -0.060 7.190 80 HD12 ILE 9 1HD1 ILE 9 -4.037 0.218 6.632 81 HD13 ILE 9 2HD1 ILE 9 -3.679 -1.171 7.676 82 H THR 10 H THR 10 0.340 -3.540 7.922 83 HA THR 10 HA THR 10 2.602 -4.735 6.580 84 HB THR 10 HB THR 10 1.102 -5.514 9.182 85 HG1 THR 10 HG1 THR 10 3.376 -3.879 9.148 86 HG21 THR 10 3HG2 THR 10 3.349 -6.124 10.129 87 HG22 THR 10 1HG2 THR 10 2.948 -7.189 8.782 88 HG23 THR 10 2HG2 THR 10 4.124 -5.871 8.551 89 H ALA 11 H ALA 11 3.053 -6.887 6.159 90 HA ALA 11 HA ALA 11 1.288 -8.159 4.484 91 HB1 ALA 11 3HB ALA 11 3.676 -9.598 5.752 92 HB2 ALA 11 1HB ALA 11 2.884 -9.885 4.170 93 HB3 ALA 11 2HB ALA 11 3.768 -8.383 4.446 94 H LEU 12 H LEU 12 -0.463 -9.211 4.697 95 HA LEU 12 HA LEU 12 -1.001 -11.145 6.969 96 HB2 LEU 12 1HB LEU 12 -2.572 -9.148 6.244 97 HB3 LEU 12 2HB LEU 12 -2.926 -10.091 4.802 98 HG LEU 12 HG LEU 12 -3.832 -11.967 6.349 99 HD11 LEU 12 1HD1 LEU 12 -3.472 -9.763 8.518 100 HD12 LEU 12 2HD1 LEU 12 -4.408 -11.258 8.718 101 HD13 LEU 12 3HD1 LEU 12 -2.656 -11.336 8.508 102 HD21 LEU 12 3HD2 LEU 12 -5.317 -10.347 5.199 103 HD22 LEU 12 1HD2 LEU 12 -5.951 -10.668 6.820 104 HD23 LEU 12 2HD2 LEU 12 -5.094 -9.139 6.493 105 H VAL 13 H VAL 13 -1.481 -13.186 6.576 106 HA VAL 13 HA VAL 13 -0.532 -14.581 4.146 107 HB VAL 13 HB VAL 13 -1.439 -16.670 5.374 108 HG11 VAL 13 1HG1 VAL 13 0.727 -14.962 6.767 109 HG12 VAL 13 2HG1 VAL 13 0.506 -16.717 6.955 110 HG13 VAL 13 3HG1 VAL 13 0.976 -16.047 5.380 111 HG21 VAL 13 3HG2 VAL 13 -3.069 -15.597 6.964 112 HG22 VAL 13 1HG2 VAL 13 -1.822 -16.549 7.815 113 HG23 VAL 13 2HG2 VAL 13 -1.740 -14.784 7.805 114 H LYS 14 H LYS 14 -1.619 -15.597 2.610 115 HA LYS 14 HA LYS 14 -3.563 -14.017 1.517 116 HB2 LYS 14 1HB LYS 14 -2.185 -15.125 0.096 117 HB3 LYS 14 2HB LYS 14 -2.467 -16.727 0.751 118 HG2 LYS 14 1HG LYS 14 -4.640 -16.920 -0.354 119 HG3 LYS 14 2HG LYS 14 -4.617 -15.247 -0.896 120 HD2 LYS 14 1HD LYS 14 -2.710 -15.658 -2.407 121 HD3 LYS 14 2HD LYS 14 -2.468 -17.292 -1.782 122 HE2 LYS 14 1HE LYS 14 -4.725 -18.024 -2.590 123 HE3 LYS 14 2HE LYS 14 -5.103 -16.391 -3.148 124 HZ1 LYS 14 3HZ LYS 14 -2.767 -18.007 -4.210 125 HZ2 LYS 14 1HZ LYS 14 -4.204 -17.862 -4.991 126 HZ3 LYS 14 2HZ LYS 14 -3.247 -16.545 -4.779 127 H GLU 15 H GLU 15 -5.585 -13.691 1.428 128 HA GLU 15 HA GLU 15 -7.662 -15.137 2.747 129 HB2 GLU 15 1HB GLU 15 -7.897 -13.043 0.479 130 HB3 GLU 15 2HB GLU 15 -9.145 -13.492 1.625 131 HG2 GLU 15 1HG GLU 15 -8.419 -11.510 2.531 132 HG3 GLU 15 2HG GLU 15 -7.535 -12.641 3.534 133 H VAL 16 H VAL 16 -9.076 -16.640 2.088 134 HA VAL 16 HA VAL 16 -9.538 -17.370 -0.762 135 HB VAL 16 HB VAL 16 -8.760 -19.853 0.841 136 HG11 VAL 16 1HG1 VAL 16 -8.148 -20.712 -1.402 137 HG12 VAL 16 2HG1 VAL 16 -9.698 -19.886 -1.597 138 HG13 VAL 16 3HG1 VAL 16 -8.217 -19.085 -2.121 139 HG21 VAL 16 3HG2 VAL 16 -6.388 -19.872 0.098 140 HG22 VAL 16 1HG2 VAL 16 -6.524 -18.187 -0.477 141 HG23 VAL 16 2HG2 VAL 16 -6.662 -18.556 1.251 142 H THR 17 H THR 17 -11.460 -18.646 -1.029 143 HA THR 17 HA THR 17 -13.494 -18.233 1.003 144 HB THR 17 HB THR 17 -13.661 -20.030 -1.488 145 HG1 THR 17 HG1 THR 17 -14.740 -17.480 -1.251 146 HG21 THR 17 3HG2 THR 17 -15.908 -18.705 0.189 147 HG22 THR 17 1HG2 THR 17 -16.109 -19.486 -1.401 148 HG23 THR 17 2HG2 THR 17 -15.636 -20.447 0.006 149 HA PRO 18 HA PRO 18 -13.258 -22.728 2.675 150 HB2 PRO 18 1HB PRO 18 -11.397 -24.584 1.836 151 HB3 PRO 18 2HB PRO 18 -12.872 -24.247 0.900 152 HG2 PRO 18 1HG PRO 18 -10.067 -23.057 0.429 153 HG3 PRO 18 2HG PRO 18 -11.110 -23.864 -0.775 154 HD2 PRO 18 1HD PRO 18 -10.997 -21.103 -0.384 155 HD3 PRO 18 2HD PRO 18 -12.471 -21.877 -1.016 156 HA PRO 19 HA PRO 19 -10.179 -21.222 5.545 157 HB2 PRO 19 1HB PRO 19 -10.104 -23.075 7.597 158 HB3 PRO 19 2HB PRO 19 -11.543 -22.133 7.148 159 HG2 PRO 19 1HG PRO 19 -10.855 -24.997 6.231 160 HG3 PRO 19 2HG PRO 19 -12.364 -24.450 7.016 161 HD2 PRO 19 1HD PRO 19 -12.197 -24.647 4.263 162 HD3 PRO 19 2HD PRO 19 -13.104 -23.294 5.015 163 H ARG 20 H ARG 20 -8.664 -21.530 3.737 164 HA ARG 20 HA ARG 20 -6.130 -22.993 4.661 165 HB2 ARG 20 1HB ARG 20 -7.700 -23.201 2.131 166 HB3 ARG 20 2HB ARG 20 -6.165 -22.513 1.743 167 HG2 ARG 20 1HG ARG 20 -5.805 -24.795 1.486 168 HG3 ARG 20 2HG ARG 20 -5.012 -24.456 3.021 169 HD2 ARG 20 1HD ARG 20 -7.120 -25.306 4.245 170 HD3 ARG 20 2HD ARG 20 -7.863 -25.630 2.663 171 HE ARG 20 HE ARG 20 -5.230 -26.977 2.857 172 HH11 ARG 20 2HH2 ARG 20 -8.501 -27.299 3.993 173 HH12 ARG 20 1HH2 ARG 20 -8.342 -29.111 4.166 174 HH21 ARG 20 2HH1 ARG 20 -5.074 -29.032 3.081 175 HH22 ARG 20 1HH1 ARG 20 -6.477 -30.019 3.676 176 H LYS 21 H LYS 21 -4.173 -22.023 4.409 177 HA LYS 21 HA LYS 21 -4.089 -19.107 3.471 178 HB2 LYS 21 1HB LYS 21 -3.183 -20.282 6.155 179 HB3 LYS 21 2HB LYS 21 -2.154 -19.083 5.424 180 HG2 LYS 21 1HG LYS 21 -3.483 -17.848 6.818 181 HG3 LYS 21 2HG LYS 21 -4.024 -17.454 5.203 182 HD2 LYS 21 1HD LYS 21 -5.830 -19.551 6.058 183 HD3 LYS 21 2HD LYS 21 -5.391 -18.775 7.543 184 HE2 LYS 21 1HE LYS 21 -7.339 -17.642 6.854 185 HE3 LYS 21 2HE LYS 21 -6.064 -16.482 6.515 186 HZ1 LYS 21 3HZ LYS 21 -6.905 -18.387 4.334 187 HZ2 LYS 21 1HZ LYS 21 -7.830 -17.041 4.606 188 HZ3 LYS 21 2HZ LYS 21 -6.244 -16.936 4.129 189 H ALA 22 H ALA 22 -2.568 -18.607 2.168 190 HA ALA 22 HA ALA 22 -0.172 -20.449 1.662 191 HB1 ALA 22 3HB ALA 22 -1.306 -18.288 -0.223 192 HB2 ALA 22 1HB ALA 22 -0.030 -19.440 -0.597 193 HB3 ALA 22 2HB ALA 22 -1.688 -20.019 -0.350 194 HA PRO 23 HA PRO 23 2.224 -17.190 3.582 195 HB2 PRO 23 1HB PRO 23 4.818 -17.719 2.789 196 HB3 PRO 23 2HB PRO 23 3.815 -18.854 3.713 197 HG2 PRO 23 1HG PRO 23 4.221 -18.841 0.645 198 HG3 PRO 23 2HG PRO 23 4.487 -20.199 1.777 199 HD2 PRO 23 1HD PRO 23 2.086 -19.932 0.424 200 HD3 PRO 23 2HD PRO 23 2.129 -20.528 2.115 201 H SER 24 H SER 24 0.890 -15.756 1.974 202 HA SER 24 HA SER 24 2.365 -14.351 -0.120 203 HB2 SER 24 1HB SER 24 0.370 -13.074 -0.501 204 HB3 SER 24 2HB SER 24 -0.025 -14.763 -0.208 205 HG SER 24 HG SER 24 -0.101 -12.863 1.933 206 H LYS 25 H LYS 25 3.540 -12.581 -0.103 207 HA LYS 25 HA LYS 25 3.762 -10.786 2.340 208 HB2 LYS 25 1HB LYS 25 5.372 -10.920 -0.267 209 HB3 LYS 25 2HB LYS 25 5.416 -9.518 0.727 210 HG2 LYS 25 1HG LYS 25 7.285 -10.824 1.275 211 HG3 LYS 25 2HG LYS 25 6.267 -10.754 2.692 212 HD2 LYS 25 1HD LYS 25 5.873 -13.167 0.844 213 HD3 LYS 25 2HD LYS 25 7.450 -13.031 1.581 214 HE2 LYS 25 1HE LYS 25 6.486 -12.983 3.887 215 HE3 LYS 25 2HE LYS 25 4.834 -12.983 3.255 216 HZ1 LYS 25 3HZ LYS 25 6.804 -15.166 2.563 217 HZ2 LYS 25 1HZ LYS 25 5.762 -15.309 3.830 218 HZ3 LYS 25 2HZ LYS 25 5.180 -15.195 2.288 219 H ALA 26 H ALA 26 1.758 -9.910 2.420 220 HA ALA 26 HA ALA 26 0.554 -8.299 0.218 221 HB1 ALA 26 3HB ALA 26 -1.208 -7.849 1.979 222 HB2 ALA 26 1HB ALA 26 -0.860 -9.586 1.776 223 HB3 ALA 26 2HB ALA 26 -0.200 -8.706 3.152 224 H LYS 27 H LYS 27 1.310 -6.401 -0.297 225 HA LYS 27 HA LYS 27 2.372 -4.460 1.862 226 HB2 LYS 27 1HB LYS 27 3.286 -4.482 -1.055 227 HB3 LYS 27 2HB LYS 27 3.965 -3.632 0.307 228 HG2 LYS 27 1HG LYS 27 3.979 -6.714 0.096 229 HG3 LYS 27 2HG LYS 27 5.141 -5.669 -0.669 230 HD2 LYS 27 1HD LYS 27 6.353 -5.394 1.125 231 HD3 LYS 27 2HD LYS 27 5.017 -4.711 2.048 232 HE2 LYS 27 1HE LYS 27 4.299 -7.190 2.577 233 HE3 LYS 27 2HE LYS 27 5.820 -7.693 1.825 234 HZ1 LYS 27 3HZ LYS 27 7.026 -6.166 3.407 235 HZ2 LYS 27 1HZ LYS 27 5.621 -5.743 4.121 236 HZ3 LYS 27 2HZ LYS 27 6.191 -7.288 4.271 237 H ARG 28 H ARG 28 0.793 -3.056 2.217 238 HA ARG 28 HA ARG 28 -1.014 -2.124 -0.103 239 HB2 ARG 28 1HB ARG 28 -1.983 -2.165 2.772 240 HB3 ARG 28 2HB ARG 28 -2.892 -1.927 1.308 241 HG2 ARG 28 1HG ARG 28 -2.456 -4.363 0.672 242 HG3 ARG 28 2HG ARG 28 -1.563 -4.579 2.177 243 HD2 ARG 28 1HD ARG 28 -3.604 -4.014 3.538 244 HD3 ARG 28 2HD ARG 28 -4.538 -3.716 2.050 245 HE ARG 28 HE ARG 28 -3.209 -6.363 1.908 246 HH11 ARG 28 2HH2 ARG 28 -5.994 -4.870 3.374 247 HH12 ARG 28 1HH2 ARG 28 -6.844 -6.487 3.491 248 HH21 ARG 28 2HH1 ARG 28 -4.197 -8.153 2.092 249 HH22 ARG 28 1HH1 ARG 28 -5.849 -8.254 2.790 250 H GLU 29 H GLU 29 -0.261 -0.174 -0.614 251 HA GLU 29 HA GLU 29 0.500 1.810 1.593 252 HB2 GLU 29 1HB GLU 29 2.501 1.121 -0.642 253 HB3 GLU 29 2HB GLU 29 2.599 2.390 0.553 254 HG2 GLU 29 1HG GLU 29 3.840 1.022 1.765 255 HG3 GLU 29 2HG GLU 29 2.347 0.332 2.328 256 H ALA 30 H ALA 30 -0.138 3.798 1.151 257 HA ALA 30 HA ALA 30 -1.075 4.629 -1.585 258 HB1 ALA 30 3HB ALA 30 -1.002 5.927 1.188 259 HB2 ALA 30 1HB ALA 30 -1.579 6.800 -0.205 260 HB3 ALA 30 2HB ALA 30 -2.421 5.313 0.291 261 HA PRO 31 HA PRO 31 2.760 7.214 -2.171 262 HB2 PRO 31 1HB PRO 31 3.193 6.895 -4.811 263 HB3 PRO 31 2HB PRO 31 3.369 5.550 -3.680 264 HG2 PRO 31 1HG PRO 31 0.905 6.147 -5.443 265 HG3 PRO 31 2HG PRO 31 1.814 4.615 -5.340 266 HD2 PRO 31 1HD PRO 31 -0.484 5.161 -3.803 267 HD3 PRO 31 2HD PRO 31 0.801 4.042 -3.265 268 H ILE 32 H ILE 32 1.680 8.252 -5.161 269 HA ILE 32 HA ILE 32 0.733 10.873 -3.891 270 HB ILE 32 HB ILE 32 1.945 12.026 -5.791 271 HG12 ILE 32 1HG1 ILE 32 3.553 9.425 -6.090 272 HG13 ILE 32 2HG1 ILE 32 2.334 9.911 -7.249 273 HG21 ILE 32 1HG2 ILE 32 2.693 11.833 -3.371 274 HG22 ILE 32 2HG2 ILE 32 3.813 10.528 -3.851 275 HG23 ILE 32 3HG2 ILE 32 3.987 12.161 -4.513 276 HD11 ILE 32 3HD1 ILE 32 4.788 10.518 -7.822 277 HD12 ILE 32 1HD1 ILE 32 3.671 11.907 -7.926 278 HD13 ILE 32 2HD1 ILE 32 4.713 11.743 -6.575 279 H LYS 33 H LYS 33 -0.899 11.948 -4.689 280 HA LYS 33 HA LYS 33 -2.581 10.923 -6.898 281 HB2 LYS 33 1HB LYS 33 -3.228 12.556 -4.781 282 HB3 LYS 33 2HB LYS 33 -2.809 13.810 -5.879 283 HG2 LYS 33 1HG LYS 33 -5.203 13.437 -5.961 284 HG3 LYS 33 2HG LYS 33 -4.512 13.093 -7.518 285 HD2 LYS 33 1HD LYS 33 -6.236 11.508 -7.078 286 HD3 LYS 33 2HD LYS 33 -4.730 10.672 -7.244 287 HE2 LYS 33 1HE LYS 33 -6.283 11.144 -4.608 288 HE3 LYS 33 2HE LYS 33 -6.190 9.676 -5.539 289 HZ1 LYS 33 3HZ LYS 33 -4.528 9.566 -3.687 290 HZ2 LYS 33 1HZ LYS 33 -3.684 9.713 -5.108 291 HZ3 LYS 33 2HZ LYS 33 -3.890 11.006 -4.116 292 H TYR 34 H TYR 34 0.011 13.128 -6.893 293 HA TYR 34 HA TYR 34 -0.519 14.420 -9.532 294 HB2 TYR 34 1HB TYR 34 1.093 15.244 -7.616 295 HB3 TYR 34 2HB TYR 34 2.255 14.081 -8.225 296 HD1 TYR 34 HD1 TYR 34 0.079 17.004 -9.308 297 HD2 TYR 34 HD2 TYR 34 3.666 14.740 -10.090 298 HE1 TYR 34 HE1 TYR 34 0.848 18.735 -10.884 299 HE2 TYR 34 HE2 TYR 34 4.414 16.478 -11.644 300 HH TYR 34 HH TYR 34 3.876 18.394 -12.692 301 H TRP 35 H TRP 35 0.975 11.361 -8.719 302 HA TRP 35 HA TRP 35 1.507 10.861 -11.700 303 HB2 TRP 35 1HB TRP 35 3.444 10.503 -10.043 304 HB3 TRP 35 2HB TRP 35 2.572 9.114 -9.402 305 HD1 TRP 35 HD1 TRP 35 3.636 10.343 -13.093 306 HE1 TRP 35 HE1 TRP 35 4.928 8.437 -14.358 307 HE3 TRP 35 HE3 TRP 35 3.314 6.777 -9.392 308 HZ2 TRP 35 HZ2 TRP 35 5.661 5.777 -13.702 309 HZ3 TRP 35 HZ3 TRP 35 4.391 4.583 -9.773 310 HH2 TRP 35 HH2 TRP 35 5.550 4.090 -11.884 311 H LEU 36 H LEU 36 -0.177 9.291 -8.850 312 HA LEU 36 HA LEU 36 -1.608 7.520 -10.911 313 HB2 LEU 36 1HB LEU 36 -1.060 6.857 -7.961 314 HB3 LEU 36 2HB LEU 36 -1.893 5.832 -9.121 315 HG LEU 36 HG LEU 36 1.061 6.681 -9.260 316 HD11 LEU 36 1HD1 LEU 36 0.447 5.050 -7.401 317 HD12 LEU 36 2HD1 LEU 36 -0.113 3.898 -8.628 318 HD13 LEU 36 3HD1 LEU 36 1.596 4.398 -8.574 319 HD21 LEU 36 3HD2 LEU 36 1.302 4.950 -11.066 320 HD22 LEU 36 1HD2 LEU 36 -0.456 4.687 -11.084 321 HD23 LEU 36 2HD2 LEU 36 0.233 6.248 -11.584 322 HA PRO 37 HA PRO 37 -5.221 9.853 -9.403 323 HB2 PRO 37 1HB PRO 37 -7.321 8.479 -10.598 324 HB3 PRO 37 2HB PRO 37 -6.146 9.487 -11.468 325 HG2 PRO 37 1HG PRO 37 -6.022 6.428 -11.100 326 HG3 PRO 37 2HG PRO 37 -5.934 7.339 -12.631 327 HD2 PRO 37 1HD PRO 37 -3.650 6.510 -11.329 328 HD3 PRO 37 2HD PRO 37 -3.675 8.103 -12.153 329 H HIS 38 H HIS 38 -4.766 6.621 -8.378 330 HA HIS 38 HA HIS 38 -6.636 7.086 -5.971 331 HB2 HIS 38 1HB HIS 38 -7.465 5.476 -7.826 332 HB3 HIS 38 2HB HIS 38 -6.111 4.423 -7.482 333 HD1 HIS 38 HD1 HIS 38 -6.254 2.975 -5.156 334 HD2 HIS 38 HD2 HIS 38 -9.607 5.467 -6.172 335 HE1 HIS 38 HE1 HIS 38 -8.349 2.214 -3.842 336 HE2 HIS 38 HE2 HIS 38 -10.426 3.658 -4.399 337 H SER 39 H SER 39 -5.278 7.366 -4.268 338 HA SER 39 HA SER 39 -2.533 6.085 -4.191 339 HB2 SER 39 1HB SER 39 -2.108 7.463 -2.205 340 HB3 SER 39 2HB SER 39 -2.477 8.397 -3.636 341 HG SER 39 HG SER 39 -4.366 7.695 -1.606 342 H GLY 40 H GLY 40 -2.736 4.038 -3.615 343 HA2 GLY 40 1HA GLY 40 -2.792 2.947 -1.081 344 HA3 GLY 40 2HA GLY 40 -4.529 3.039 -1.370 345 H ALA 41 H ALA 41 -1.533 1.646 -2.406 346 HA ALA 41 HA ALA 41 -2.905 -0.174 -4.457 347 HB1 ALA 41 3HB ALA 41 -1.134 1.256 -5.348 348 HB2 ALA 41 1HB ALA 41 0.017 0.777 -4.082 349 HB3 ALA 41 2HB ALA 41 -0.497 -0.400 -5.307 350 H THR 42 H THR 42 -3.401 -2.108 -3.665 351 HA THR 42 HA THR 42 -1.758 -3.507 -1.541 352 HB THR 42 HB THR 42 -4.011 -3.406 -1.062 353 HG1 THR 42 HG1 THR 42 -3.863 -6.001 -2.038 354 HG21 THR 42 3HG2 THR 42 -5.822 -4.592 -2.279 355 HG22 THR 42 1HG2 THR 42 -5.248 -3.211 -3.223 356 HG23 THR 42 2HG2 THR 42 -4.771 -4.847 -3.698 357 H TRP 43 H TRP 43 0.055 -4.324 -2.374 358 HA TRP 43 HA TRP 43 -0.117 -6.197 -4.791 359 HB2 TRP 43 1HB TRP 43 1.772 -4.457 -4.628 360 HB3 TRP 43 2HB TRP 43 2.490 -5.446 -3.353 361 HD1 TRP 43 HD1 TRP 43 1.945 -8.492 -4.772 362 HE1 TRP 43 HE1 TRP 43 3.352 -9.264 -6.834 363 HE3 TRP 43 HE3 TRP 43 3.336 -3.811 -6.383 364 HZ2 TRP 43 HZ2 TRP 43 4.988 -7.930 -8.702 365 HZ3 TRP 43 HZ3 TRP 43 4.932 -3.653 -8.289 366 HH2 TRP 43 HH2 TRP 43 5.768 -5.689 -9.398 367 H SER 44 H SER 44 -1.102 -8.018 -3.975 368 HA SER 44 HA SER 44 -0.087 -9.380 -1.463 369 HB2 SER 44 1HB SER 44 -1.962 -10.930 -1.772 370 HB3 SER 44 2HB SER 44 -2.446 -9.236 -1.646 371 HG SER 44 HG SER 44 -3.540 -10.394 -3.324 372 H GLY 45 H GLY 45 1.988 -9.960 -2.041 373 HA2 GLY 45 1HA GLY 45 2.537 -12.574 -3.029 374 HA3 GLY 45 2HA GLY 45 2.515 -11.629 -4.503 375 H ARG 46 H ARG 46 3.899 -9.617 -4.384 376 HA ARG 46 HA ARG 46 6.704 -10.535 -3.577 377 HB2 ARG 46 1HB ARG 46 6.216 -10.312 -5.950 378 HB3 ARG 46 2HB ARG 46 5.646 -8.671 -5.786 379 HG2 ARG 46 1HG ARG 46 8.546 -9.275 -5.022 380 HG3 ARG 46 2HG ARG 46 8.073 -9.311 -6.717 381 HD2 ARG 46 1HD ARG 46 7.307 -7.020 -6.747 382 HD3 ARG 46 2HD ARG 46 7.418 -6.851 -4.985 383 HE ARG 46 HE ARG 46 10.061 -7.620 -5.787 384 HH11 ARG 46 2HH2 ARG 46 7.972 -4.962 -6.557 385 HH12 ARG 46 1HH2 ARG 46 9.383 -3.806 -6.722 386 HH21 ARG 46 2HH1 ARG 46 11.630 -6.299 -5.968 387 HH22 ARG 46 1HH1 ARG 46 11.351 -4.555 -6.390 388 H GLY 47 H GLY 47 8.098 -9.185 -2.515 389 HA2 GLY 47 1HA GLY 47 7.133 -7.023 -0.707 390 HA3 GLY 47 2HA GLY 47 8.797 -7.455 -0.945 391 H LYS 48 H LYS 48 6.206 -5.929 -2.664 392 HA LYS 48 HA LYS 48 7.858 -3.638 -3.723 393 HB2 LYS 48 1HB LYS 48 6.099 -4.197 -5.068 394 HB3 LYS 48 2HB LYS 48 4.947 -4.506 -3.813 395 HG2 LYS 48 1HG LYS 48 5.845 -1.602 -4.375 396 HG3 LYS 48 2HG LYS 48 4.681 -2.432 -5.380 397 HD2 LYS 48 1HD LYS 48 3.554 -3.060 -2.953 398 HD3 LYS 48 2HD LYS 48 4.485 -1.676 -2.430 399 HE2 LYS 48 1HE LYS 48 3.259 -0.269 -4.258 400 HE3 LYS 48 2HE LYS 48 2.293 -1.709 -4.629 401 HZ1 LYS 48 3HZ LYS 48 1.043 -0.718 -2.749 402 HZ2 LYS 48 1HZ LYS 48 1.982 -1.809 -2.027 403 HZ3 LYS 48 2HZ LYS 48 2.460 -0.290 -1.967 404 H ILE 49 H ILE 49 8.728 -2.343 -2.244 405 HA ILE 49 HA ILE 49 6.977 -1.131 -0.020 406 HB ILE 49 HB ILE 49 10.046 -1.490 -0.077 407 HG12 ILE 49 1HG1 ILE 49 8.905 -3.698 0.208 408 HG13 ILE 49 2HG1 ILE 49 9.871 -3.215 1.582 409 HG21 ILE 49 1HG2 ILE 49 9.412 0.504 1.239 410 HG22 ILE 49 2HG2 ILE 49 8.279 -0.435 2.227 411 HG23 ILE 49 3HG2 ILE 49 10.030 -0.780 2.289 412 HD11 ILE 49 3HD1 ILE 49 7.717 -2.604 2.832 413 HD12 ILE 49 1HD1 ILE 49 6.798 -3.121 1.407 414 HD13 ILE 49 2HD1 ILE 49 7.811 -4.286 2.301 415 HA PRO 50 HA PRO 50 8.125 2.301 -2.927 416 HB2 PRO 50 1HB PRO 50 5.972 3.997 -2.619 417 HB3 PRO 50 2HB PRO 50 5.799 2.370 -3.318 418 HG2 PRO 50 1HG PRO 50 5.302 3.173 -0.378 419 HG3 PRO 50 2HG PRO 50 4.173 2.353 -1.478 420 HD2 PRO 50 1HD PRO 50 5.850 0.964 0.303 421 HD3 PRO 50 2HD PRO 50 5.354 0.248 -1.260 422 H LYS 51 H LYS 51 9.439 2.115 -0.601 423 HA LYS 51 HA LYS 51 9.882 4.835 0.591 424 HB2 LYS 51 1HB LYS 51 11.001 2.071 1.068 425 HB3 LYS 51 2HB LYS 51 12.230 3.277 1.135 426 HG2 LYS 51 1HG LYS 51 11.300 2.868 3.359 427 HG3 LYS 51 2HG LYS 51 11.130 4.549 2.883 428 HD2 LYS 51 1HD LYS 51 8.650 3.868 2.115 429 HD3 LYS 51 2HD LYS 51 8.929 2.366 2.964 430 HE2 LYS 51 1HE LYS 51 9.130 3.525 5.131 431 HE3 LYS 51 2HE LYS 51 9.298 5.116 4.374 432 HZ1 LYS 51 3HZ LYS 51 6.802 3.410 4.045 433 HZ2 LYS 51 1HZ LYS 51 6.863 4.546 5.178 434 HZ3 LYS 51 2HZ LYS 51 6.895 4.931 3.598 435 HA PRO 52 HA PRO 52 13.541 5.472 -2.415 436 HB2 PRO 52 1HB PRO 52 13.931 3.793 -4.622 437 HB3 PRO 52 2HB PRO 52 14.681 3.561 -3.028 438 HG2 PRO 52 1HG PRO 52 12.101 2.234 -4.065 439 HG3 PRO 52 2HG PRO 52 13.523 1.424 -3.358 440 HD2 PRO 52 1HD PRO 52 11.314 2.003 -1.842 441 HD3 PRO 52 2HD PRO 52 12.941 2.170 -1.118 442 H PHE 53 H PHE 53 10.373 4.601 -3.413 443 HA PHE 53 HA PHE 53 10.376 6.552 -5.734 444 HB2 PHE 53 1HB PHE 53 9.124 4.469 -6.047 445 HB3 PHE 53 2HB PHE 53 8.110 4.792 -4.652 446 HD1 PHE 53 HD2 PHE 53 9.161 6.356 -7.971 447 HD2 PHE 53 HD1 PHE 53 6.134 6.155 -4.924 448 HE1 PHE 53 HE2 PHE 53 7.644 7.685 -9.392 449 HE2 PHE 53 HE1 PHE 53 4.596 7.439 -6.386 450 HZ PHE 53 HZ PHE 53 5.369 8.234 -8.600 451 H GLU 54 H GLU 54 8.490 6.308 -2.578 452 HA GLU 54 HA GLU 54 7.612 9.117 -2.889 453 HB2 GLU 54 1HB GLU 54 6.356 7.317 -1.616 454 HB3 GLU 54 2HB GLU 54 7.504 7.484 -0.295 455 HG2 GLU 54 1HG GLU 54 6.848 9.939 -0.061 456 HG3 GLU 54 2HG GLU 54 5.765 9.782 -1.443 457 H ALA 55 H ALA 55 10.501 7.779 -1.539 458 HA ALA 55 HA ALA 55 11.485 10.263 -0.183 459 HB1 ALA 55 3HB ALA 55 13.691 9.057 -0.201 460 HB2 ALA 55 1HB ALA 55 12.416 8.076 0.526 461 HB3 ALA 55 2HB ALA 55 12.984 7.730 -1.128 462 H TRP 56 H TRP 56 12.163 8.746 -3.434 463 HA TRP 56 HA TRP 56 13.750 11.135 -4.300 464 HB2 TRP 56 1HB TRP 56 13.798 8.607 -5.235 465 HB3 TRP 56 2HB TRP 56 12.509 9.144 -6.291 466 HD1 TRP 56 HD1 TRP 56 13.463 11.857 -7.607 467 HE1 TRP 56 HE1 TRP 56 15.708 12.208 -8.924 468 HE3 TRP 56 HE3 TRP 56 16.004 7.826 -5.630 469 HZ2 TRP 56 HZ2 TRP 56 18.173 10.806 -9.032 470 HZ3 TRP 56 HZ3 TRP 56 18.308 7.384 -6.436 471 HH2 TRP 56 HH2 TRP 56 19.369 8.838 -8.100 472 H ILE 57 H ILE 57 10.358 10.134 -4.679 473 HA ILE 57 HA ILE 57 9.499 12.746 -5.905 474 HB ILE 57 HB ILE 57 8.085 10.345 -4.643 475 HG12 ILE 57 1HG1 ILE 57 8.893 9.912 -6.858 476 HG13 ILE 57 2HG1 ILE 57 7.155 9.907 -6.775 477 HG21 ILE 57 1HG2 ILE 57 6.394 12.629 -5.682 478 HG22 ILE 57 2HG2 ILE 57 5.964 11.014 -5.050 479 HG23 ILE 57 3HG2 ILE 57 6.635 12.213 -3.970 480 HD11 ILE 57 3HD1 ILE 57 7.081 12.210 -7.881 481 HD12 ILE 57 1HD1 ILE 57 8.856 12.199 -7.977 482 HD13 ILE 57 2HD1 ILE 57 7.914 10.988 -8.862 483 H GLY 58 H GLY 58 10.894 12.362 -2.988 484 HA2 GLY 58 1HA GLY 58 9.570 14.932 -1.976 485 HA3 GLY 58 2HA GLY 58 10.177 13.728 -0.853 486 H THR 59 H THR 59 12.708 13.254 -2.305 487 HA THR 59 HA THR 59 14.448 14.867 -0.929 488 HB THR 59 HB THR 59 15.062 13.919 -3.805 489 HG1 THR 59 HG1 THR 59 15.818 12.066 -2.679 490 HG21 THR 59 3HG2 THR 59 16.979 15.259 -2.818 491 HG22 THR 59 1HG2 THR 59 16.938 14.251 -1.360 492 HG23 THR 59 2HG2 THR 59 17.395 13.545 -2.927 493 H ALA 60 H ALA 60 13.318 15.790 -4.058 494 HA ALA 60 HA ALA 60 13.847 18.710 -3.396 495 HB1 ALA 60 3HB ALA 60 14.457 19.313 -5.741 496 HB2 ALA 60 1HB ALA 60 15.604 18.123 -5.102 497 HB3 ALA 60 2HB ALA 60 14.346 17.612 -6.253 498 H ALA 61 H ALA 61 11.757 16.409 -5.096 499 HA ALA 61 HA ALA 61 9.884 18.374 -6.148 500 HB1 ALA 61 3HB ALA 61 10.120 16.008 -6.968 501 HB2 ALA 61 1HB ALA 61 9.369 15.426 -5.468 502 HB3 ALA 61 2HB ALA 61 8.433 16.433 -6.590 503 H TYR 62 H TYR 62 10.066 17.167 -2.956 504 HA TYR 62 HA TYR 62 7.374 17.481 -1.924 505 HB2 TYR 62 1HB TYR 62 9.372 16.602 -0.621 506 HB3 TYR 62 2HB TYR 62 10.003 18.217 -0.502 507 HD1 TYR 62 HD1 TYR 62 6.744 16.335 0.232 508 HD2 TYR 62 HD2 TYR 62 9.564 19.296 1.600 509 HE1 TYR 62 HE1 TYR 62 5.527 16.532 2.356 510 HE2 TYR 62 HE2 TYR 62 8.328 19.488 3.706 511 HH TYR 62 HH TYR 62 6.629 18.643 4.958 512 H THR 63 H THR 63 9.746 20.111 -2.366 513 HA THR 63 HA THR 63 7.985 22.209 -1.232 514 HB THR 63 HB THR 63 10.419 22.420 -1.295 515 HG1 THR 63 HG1 THR 63 10.228 24.650 -2.282 516 HG21 THR 63 3HG2 THR 63 11.613 23.329 -3.254 517 HG22 THR 63 1HG2 THR 63 11.003 21.722 -3.662 518 HG23 THR 63 2HG2 THR 63 10.177 23.156 -4.292 519 H ALA 64 H ALA 64 8.209 20.881 -4.436 520 HA ALA 64 HA ALA 64 6.259 22.865 -5.651 521 HB1 ALA 64 3HB ALA 64 6.471 21.380 -7.699 522 HB2 ALA 64 1HB ALA 64 8.054 21.923 -7.119 523 HB3 ALA 64 2HB ALA 64 7.507 20.265 -6.790 524 H TRP 65 H TRP 65 6.319 19.492 -4.547 525 HA TRP 65 HA TRP 65 3.553 18.777 -5.067 526 HB2 TRP 65 1HB TRP 65 5.831 17.443 -4.137 527 HB3 TRP 65 2HB TRP 65 4.951 17.601 -2.629 528 HD1 TRP 65 HD1 TRP 65 5.050 15.626 -5.905 529 HE1 TRP 65 HE1 TRP 65 3.128 13.864 -6.124 530 HE3 TRP 65 HE3 TRP 65 2.297 17.182 -1.843 531 HZ2 TRP 65 HZ2 TRP 65 0.558 13.611 -4.889 532 HZ3 TRP 65 HZ3 TRP 65 0.117 16.097 -1.414 533 HH2 TRP 65 HH2 TRP 65 -0.764 14.371 -2.960 534 H LYS 66 H LYS 66 4.944 20.223 -2.133 535 HA LYS 66 HA LYS 66 2.460 20.313 -0.539 536 HB2 LYS 66 1HB LYS 66 5.120 21.875 -0.443 537 HB3 LYS 66 2HB LYS 66 3.850 22.215 0.703 538 HG2 LYS 66 1HG LYS 66 5.099 19.418 0.319 539 HG3 LYS 66 2HG LYS 66 5.720 20.582 1.440 540 HD2 LYS 66 1HD LYS 66 2.843 19.435 1.507 541 HD3 LYS 66 2HD LYS 66 4.193 18.766 2.391 542 HE2 LYS 66 1HE LYS 66 4.480 20.840 3.749 543 HE3 LYS 66 2HE LYS 66 3.216 21.667 2.815 544 HZ1 LYS 66 3HZ LYS 66 1.606 19.941 3.504 545 HZ2 LYS 66 1HZ LYS 66 2.729 19.110 4.361 546 HZ3 LYS 66 2HZ LYS 66 2.247 20.592 4.884 547 H ALA 67 H ALA 67 3.729 22.623 -2.913 548 HA ALA 67 HA ALA 67 1.548 24.622 -2.460 549 HB1 ALA 67 3HB ALA 67 3.422 24.202 -4.885 550 HB2 ALA 67 1HB ALA 67 2.386 25.619 -4.592 551 HB3 ALA 67 2HB ALA 67 3.726 25.265 -3.490 552 H LYS 68 H LYS 68 1.893 21.800 -4.678 553 HA LYS 68 HA LYS 68 -0.744 22.311 -6.004 554 HB2 LYS 68 1HB LYS 68 1.004 19.775 -5.892 555 HB3 LYS 68 2HB LYS 68 -0.437 19.920 -6.878 556 HG2 LYS 68 1HG LYS 68 0.508 21.250 -8.496 557 HG3 LYS 68 2HG LYS 68 1.505 22.168 -7.375 558 HD2 LYS 68 1HD LYS 68 3.088 20.230 -7.107 559 HD3 LYS 68 2HD LYS 68 2.100 19.243 -8.151 560 HE2 LYS 68 1HE LYS 68 3.967 20.011 -9.467 561 HE3 LYS 68 2HE LYS 68 2.526 20.785 -10.110 562 HZ1 LYS 68 3HZ LYS 68 3.121 22.847 -8.850 563 HZ2 LYS 68 1HZ LYS 68 4.400 22.131 -8.141 564 HZ3 LYS 68 2HZ LYS 68 4.418 22.431 -9.769 565 H HIS 69 H HIS 69 0.212 20.072 -3.345 566 HA HIS 69 HA HIS 69 -2.722 19.814 -2.630 567 HB2 HIS 69 1HB HIS 69 -1.009 17.557 -3.695 568 HB3 HIS 69 2HB HIS 69 -1.669 17.196 -2.123 569 HD1 HIS 69 HD1 HIS 69 -3.482 15.489 -2.606 570 HD2 HIS 69 HD2 HIS 69 -3.681 18.946 -5.171 571 HE1 HIS 69 HE1 HIS 69 -5.681 15.511 -3.869 572 HE2 HIS 69 HE2 HIS 69 -5.909 17.460 -5.496 573 HA PRO 70 HA PRO 70 -1.312 21.202 1.013 574 HB2 PRO 70 1HB PRO 70 -3.199 20.552 2.963 575 HB3 PRO 70 2HB PRO 70 -3.547 21.495 1.496 576 HG2 PRO 70 1HG PRO 70 -3.878 18.415 1.803 577 HG3 PRO 70 2HG PRO 70 -5.150 19.591 1.357 578 HD2 PRO 70 1HD PRO 70 -3.774 18.285 -0.612 579 HD3 PRO 70 2HD PRO 70 -4.071 20.048 -0.804 580 H ASP 71 H ASP 71 -2.224 18.403 2.987 581 HA ASP 71 HA ASP 71 0.663 17.463 2.883 582 HB2 ASP 71 1HB ASP 71 0.076 18.749 5.107 583 HB3 ASP 71 2HB ASP 71 -0.971 17.400 5.506 584 H GLU 72 H GLU 72 -0.720 16.478 1.154 585 HA GLU 72 HA GLU 72 -2.208 14.016 2.049 586 HB2 GLU 72 1HB GLU 72 -2.636 15.423 -0.188 587 HB3 GLU 72 2HB GLU 72 -1.311 14.506 -0.840 588 HG2 GLU 72 1HG GLU 72 -2.722 12.371 0.133 589 HG3 GLU 72 2HG GLU 72 -4.041 13.493 0.073 590 H LYS 73 H LYS 73 0.839 14.543 0.324 591 HA LYS 73 HA LYS 73 1.756 11.698 0.266 592 HB2 LYS 73 1HB LYS 73 2.145 13.406 -1.482 593 HB3 LYS 73 2HB LYS 73 3.083 14.409 -0.385 594 HG2 LYS 73 1HG LYS 73 3.845 11.552 -1.290 595 HG3 LYS 73 2HG LYS 73 4.242 13.019 -2.158 596 HD2 LYS 73 1HD LYS 73 5.236 13.618 0.450 597 HD3 LYS 73 2HD LYS 73 5.347 11.879 0.371 598 HE2 LYS 73 1HE LYS 73 7.491 12.724 -0.291 599 HE3 LYS 73 2HE LYS 73 6.765 12.001 -1.712 600 HZ1 LYS 73 3HZ LYS 73 7.385 14.133 -2.548 601 HZ2 LYS 73 1HZ LYS 73 5.835 14.473 -2.068 602 HZ3 LYS 73 2HZ LYS 73 7.096 14.916 -1.108 603 H PHE 74 H PHE 74 3.452 10.819 1.546 604 HA PHE 74 HA PHE 74 3.465 11.852 4.385 605 HB2 PHE 74 1HB PHE 74 3.173 9.371 3.782 606 HB3 PHE 74 2HB PHE 74 4.823 9.326 3.226 607 HD1 PHE 74 HD1 PHE 74 2.602 9.714 6.215 608 HD2 PHE 74 HD2 PHE 74 6.698 9.389 4.915 609 HE1 PHE 74 HE1 PHE 74 3.335 9.492 8.553 610 HE2 PHE 74 HE2 PHE 74 7.414 9.145 7.261 611 HZ PHE 74 HZ PHE 74 5.741 9.236 9.087 612 HA PRO 75 HA PRO 75 7.335 14.056 3.287 613 HB2 PRO 75 1HB PRO 75 8.171 15.036 5.733 614 HB3 PRO 75 2HB PRO 75 6.705 15.570 4.878 615 HG2 PRO 75 1HG PRO 75 6.856 13.454 7.111 616 HG3 PRO 75 2HG PRO 75 5.805 14.900 7.056 617 HD2 PRO 75 1HD PRO 75 4.883 12.427 6.242 618 HD3 PRO 75 2HD PRO 75 4.368 13.900 5.358 619 H ALA 76 H ALA 76 7.994 11.885 2.713 620 HA ALA 76 HA ALA 76 10.092 10.538 4.243 621 HB1 ALA 76 3HB ALA 76 9.166 10.091 1.326 622 HB2 ALA 76 1HB ALA 76 10.051 8.935 2.342 623 HB3 ALA 76 2HB ALA 76 8.390 9.401 2.771 624 H PHE 77 H PHE 77 12.162 10.667 4.149 625 HA PHE 77 HA PHE 77 13.644 12.298 2.032 626 HB2 PHE 77 1HB PHE 77 15.350 12.727 3.671 627 HB3 PHE 77 2HB PHE 77 13.818 13.107 4.386 628 HD1 PHE 77 HD2 PHE 77 12.889 11.624 6.267 629 HD2 PHE 77 HD1 PHE 77 16.756 10.851 4.524 630 HE1 PHE 77 HE2 PHE 77 13.448 10.128 8.144 631 HE2 PHE 77 HE1 PHE 77 17.303 9.373 6.408 632 HZ PHE 77 HZ PHE 77 15.651 8.994 8.219 633 HA PRO 78 HA PRO 78 15.635 8.362 0.784 634 HB2 PRO 78 1HB PRO 78 17.968 9.170 -0.441 635 HB3 PRO 78 2HB PRO 78 16.348 9.565 -1.069 636 HG2 PRO 78 1HG PRO 78 18.148 11.350 0.687 637 HG3 PRO 78 2HG PRO 78 17.388 11.790 -0.862 638 HD2 PRO 78 1HD PRO 78 16.236 12.421 1.589 639 HD3 PRO 78 2HD PRO 78 15.206 12.023 0.179 640 H GLY 79 H GLY 79 15.910 7.356 2.688 641 HA2 GLY 79 1HA GLY 79 18.602 7.566 4.187 642 HA3 GLY 79 2HA GLY 79 17.050 7.229 4.948
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