NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
455679 | 2kuc | 16731 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 25.043 -2.364 14.341 2 HA ALA 1 HA ALA 1 23.370 -0.678 14.086 3 HB1 ALA 1 HB1 ALA 1 23.688 -2.343 11.592 4 HB2 ALA 1 HB2 ALA 1 23.266 -0.632 11.658 5 HB3 ALA 1 HB3 ALA 1 24.857 -1.170 12.199 6 H GLN 2 H GLN 2 21.261 -0.108 13.916 7 HA GLN 2 HA GLN 2 19.320 -2.159 13.170 8 HB2 GLN 2 HB2 GLN 2 19.443 -2.404 15.569 9 HB3 GLN 2 HB3 GLN 2 19.286 -0.668 15.799 10 HG2 GLN 2 HG2 GLN 2 17.219 -1.936 16.290 11 HG3 GLN 2 HG3 GLN 2 17.016 -0.703 15.047 12 HE21 GLN 2 HE21 GLN 2 15.226 -1.671 14.156 13 HE22 GLN 2 HE22 GLN 2 15.312 -3.140 13.237 14 H ALA 3 H ALA 3 18.248 -1.292 11.578 15 HA ALA 3 HA ALA 3 17.008 1.322 11.918 16 HB1 ALA 3 HB1 ALA 3 18.663 0.604 9.494 17 HB2 ALA 3 HB2 ALA 3 17.669 2.051 9.670 18 HB3 ALA 3 HB3 ALA 3 19.074 1.814 10.712 19 H ASP 4 H ASP 4 14.941 1.281 11.231 20 HA ASP 4 HA ASP 4 14.136 -1.005 9.547 21 HB2 ASP 4 HB2 ASP 4 13.329 -0.756 12.057 22 HB3 ASP 4 HB3 ASP 4 12.175 0.368 11.342 23 H GLY 5 H GLY 5 11.530 -0.141 8.980 24 HA2 GLY 5 HA2 GLY 5 11.833 2.464 7.708 25 HA3 GLY 5 HA3 GLY 5 11.757 1.086 6.628 26 H ILE 6 H ILE 6 9.878 1.139 5.705 27 HA ILE 6 HA ILE 6 7.543 2.305 6.742 28 HB ILE 6 HB ILE 6 7.676 0.209 4.570 29 HG12 ILE 6 HG12 ILE 6 7.913 3.216 4.313 30 HG13 ILE 6 HG13 ILE 6 9.256 2.090 4.167 31 HG21 ILE 6 HG21 ILE 6 5.685 2.408 5.129 32 HG22 ILE 6 HG22 ILE 6 5.645 1.318 3.743 33 HG23 ILE 6 HG23 ILE 6 5.425 0.681 5.373 34 HD11 ILE 6 HD11 ILE 6 8.218 1.090 2.210 35 HD12 ILE 6 HD12 ILE 6 6.848 2.190 2.366 36 HD13 ILE 6 HD13 ILE 6 8.449 2.824 1.992 37 H ALA 7 H ALA 7 6.120 1.566 8.166 38 HA ALA 7 HA ALA 7 5.736 -1.335 8.431 39 HB1 ALA 7 HB1 ALA 7 7.053 -0.548 10.344 40 HB2 ALA 7 HB2 ALA 7 5.810 0.649 10.709 41 HB3 ALA 7 HB3 ALA 7 5.445 -1.071 10.848 42 H PHE 8 H PHE 8 3.753 -1.736 7.716 43 HA PHE 8 HA PHE 8 1.756 0.345 7.610 44 HB2 PHE 8 HB2 PHE 8 1.471 -2.585 6.905 45 HB3 PHE 8 HB3 PHE 8 0.435 -1.265 6.394 46 HD1 PHE 8 HD1 PHE 8 1.381 0.486 4.841 47 HD2 PHE 8 HD2 PHE 8 3.356 -3.188 5.674 48 HE1 PHE 8 HE1 PHE 8 2.730 0.751 2.801 49 HE2 PHE 8 HE2 PHE 8 4.710 -2.930 3.640 50 HZ PHE 8 HZ PHE 8 4.401 -0.960 2.198 51 H ARG 9 H ARG 9 -0.008 0.556 8.886 52 HA ARG 9 HA ARG 9 -0.228 -1.128 11.242 53 HB2 ARG 9 HB2 ARG 9 -1.950 1.192 10.346 54 HB3 ARG 9 HB3 ARG 9 -1.979 0.435 11.932 55 HG2 ARG 9 HG2 ARG 9 0.284 1.192 12.363 56 HG3 ARG 9 HG3 ARG 9 0.369 1.899 10.748 57 HD2 ARG 9 HD2 ARG 9 -1.568 3.330 11.347 58 HD3 ARG 9 HD3 ARG 9 -1.474 2.705 12.988 59 HE ARG 9 HE ARG 9 1.006 3.645 12.621 60 HH11 ARG 9 HH11 ARG 9 -2.117 5.004 11.939 61 HH12 ARG 9 HH12 ARG 9 -1.612 6.656 12.164 62 HH21 ARG 9 HH21 ARG 9 1.712 5.823 12.934 63 HH22 ARG 9 HH22 ARG 9 0.559 7.111 12.744 64 H GLU 10 H GLU 10 -2.415 -2.023 11.839 65 HA GLU 10 HA GLU 10 -3.886 -2.843 9.427 66 HB2 GLU 10 HB2 GLU 10 -2.473 -4.697 10.182 67 HB3 GLU 10 HB3 GLU 10 -3.209 -4.614 11.779 68 HG2 GLU 10 HG2 GLU 10 -5.365 -5.212 10.840 69 HG3 GLU 10 HG3 GLU 10 -4.666 -5.235 9.222 70 H LEU 11 H LEU 11 -5.793 -1.911 9.538 71 HA LEU 11 HA LEU 11 -7.439 -2.463 11.859 72 HB2 LEU 11 HB2 LEU 11 -8.378 -0.040 11.497 73 HB3 LEU 11 HB3 LEU 11 -7.000 -0.341 12.531 74 HG LEU 11 HG LEU 11 -5.508 0.309 10.623 75 HD11 LEU 11 HD11 LEU 11 -7.057 -0.063 8.789 76 HD12 LEU 11 HD12 LEU 11 -8.098 1.228 9.390 77 HD13 LEU 11 HD13 LEU 11 -6.480 1.602 8.797 78 HD21 LEU 11 HD21 LEU 11 -5.870 2.704 10.914 79 HD22 LEU 11 HD22 LEU 11 -7.470 2.387 11.585 80 HD23 LEU 11 HD23 LEU 11 -6.030 1.842 12.447 81 H SER 12 H SER 12 -9.784 -1.952 11.364 82 HA SER 12 HA SER 12 -10.441 -3.430 9.037 83 HB2 SER 12 HB2 SER 12 -12.800 -2.337 10.049 84 HB3 SER 12 HB3 SER 12 -12.098 -3.903 10.464 85 HG SER 12 HG SER 12 -12.323 -1.668 11.981 86 H PHE 13 H PHE 13 -12.234 -2.733 7.548 87 HA PHE 13 HA PHE 13 -11.303 -0.747 5.867 88 HB2 PHE 13 HB2 PHE 13 -12.940 -2.688 5.433 89 HB3 PHE 13 HB3 PHE 13 -14.194 -1.571 5.930 90 HD1 PHE 13 HD1 PHE 13 -14.793 0.331 4.569 91 HD2 PHE 13 HD2 PHE 13 -11.777 -2.406 3.346 92 HE1 PHE 13 HE1 PHE 13 -14.932 1.213 2.277 93 HE2 PHE 13 HE2 PHE 13 -11.909 -1.533 1.051 94 HZ PHE 13 HZ PHE 13 -13.486 0.277 0.513 95 HA PRO 14 HA PRO 14 -14.823 2.279 7.491 96 HB2 PRO 14 HB2 PRO 14 -15.135 1.233 10.252 97 HB3 PRO 14 HB3 PRO 14 -16.359 1.868 9.146 98 HG2 PRO 14 HG2 PRO 14 -16.189 -0.743 9.645 99 HG3 PRO 14 HG3 PRO 14 -16.575 -0.144 8.021 100 HD2 PRO 14 HD2 PRO 14 -13.996 -1.222 9.082 101 HD3 PRO 14 HD3 PRO 14 -14.755 -1.460 7.503 102 H GLU 15 H GLU 15 -12.701 0.860 9.939 103 HA GLU 15 HA GLU 15 -11.983 3.239 11.240 104 HB2 GLU 15 HB2 GLU 15 -10.792 0.502 11.050 105 HB3 GLU 15 HB3 GLU 15 -9.858 1.792 11.790 106 HG2 GLU 15 HG2 GLU 15 -11.080 0.447 13.436 107 HG3 GLU 15 HG3 GLU 15 -11.576 2.137 13.454 108 H ALA 16 H ALA 16 -10.695 1.615 8.417 109 HA ALA 16 HA ALA 16 -8.245 2.957 8.240 110 HB1 ALA 16 HB1 ALA 16 -9.912 1.840 5.988 111 HB2 ALA 16 HB2 ALA 16 -8.189 2.203 5.929 112 HB3 ALA 16 HB3 ALA 16 -8.783 0.919 6.979 113 H LEU 17 H LEU 17 -11.303 3.606 6.526 114 HA LEU 17 HA LEU 17 -10.428 5.916 5.202 115 HB2 LEU 17 HB2 LEU 17 -13.202 5.080 6.035 116 HB3 LEU 17 HB3 LEU 17 -12.867 6.446 4.988 117 HG LEU 17 HG LEU 17 -12.200 3.563 4.382 118 HD11 LEU 17 HD11 LEU 17 -13.928 3.740 2.683 119 HD12 LEU 17 HD12 LEU 17 -14.597 4.044 4.287 120 HD13 LEU 17 HD13 LEU 17 -14.280 5.391 3.192 121 HD21 LEU 17 HD21 LEU 17 -10.567 5.091 3.411 122 HD22 LEU 17 HD22 LEU 17 -11.597 4.398 2.158 123 HD23 LEU 17 HD23 LEU 17 -11.868 6.052 2.706 124 H LYS 18 H LYS 18 -12.106 5.545 8.302 125 HA LYS 18 HA LYS 18 -12.405 8.253 8.890 126 HB2 LYS 18 HB2 LYS 18 -13.573 6.434 10.056 127 HB3 LYS 18 HB3 LYS 18 -12.050 5.914 10.766 128 HG2 LYS 18 HG2 LYS 18 -11.917 7.778 12.141 129 HG3 LYS 18 HG3 LYS 18 -13.091 8.684 11.187 130 HD2 LYS 18 HD2 LYS 18 -14.502 8.070 12.815 131 HD3 LYS 18 HD3 LYS 18 -14.592 6.575 11.901 132 HE2 LYS 18 HE2 LYS 18 -12.669 7.040 14.175 133 HE3 LYS 18 HE3 LYS 18 -14.249 6.285 14.366 134 HZ1 LYS 18 HZ1 LYS 18 -13.483 4.633 12.654 135 HZ2 LYS 18 HZ2 LYS 18 -11.917 5.262 12.858 136 HZ3 LYS 18 HZ3 LYS 18 -12.723 4.546 14.166 137 H ARG 19 H ARG 19 -9.752 6.011 9.624 138 HA ARG 19 HA ARG 19 -8.304 7.816 11.223 139 HB2 ARG 19 HB2 ARG 19 -8.006 5.392 11.374 140 HB3 ARG 19 HB3 ARG 19 -7.386 5.357 9.727 141 HG2 ARG 19 HG2 ARG 19 -5.543 5.270 11.241 142 HG3 ARG 19 HG3 ARG 19 -5.574 6.839 10.432 143 HD2 ARG 19 HD2 ARG 19 -6.799 7.741 12.424 144 HD3 ARG 19 HD3 ARG 19 -6.480 6.205 13.227 145 HE ARG 19 HE ARG 19 -4.082 7.381 12.244 146 HH11 ARG 19 HH11 ARG 19 -6.432 7.594 14.839 147 HH12 ARG 19 HH12 ARG 19 -5.301 8.292 15.970 148 HH21 ARG 19 HH21 ARG 19 -2.617 8.317 13.700 149 HH22 ARG 19 HH22 ARG 19 -3.127 8.686 15.331 150 H ALA 20 H ALA 20 -8.197 6.984 7.778 151 HA ALA 20 HA ALA 20 -5.926 8.439 7.047 152 HB1 ALA 20 HB1 ALA 20 -7.074 6.916 5.524 153 HB2 ALA 20 HB2 ALA 20 -8.456 8.010 5.460 154 HB3 ALA 20 HB3 ALA 20 -6.900 8.518 4.801 155 H GLU 21 H GLU 21 -9.303 9.458 7.247 156 HA GLU 21 HA GLU 21 -8.907 12.101 6.377 157 HB2 GLU 21 HB2 GLU 21 -11.090 10.982 6.394 158 HB3 GLU 21 HB3 GLU 21 -11.070 10.954 8.152 159 HG2 GLU 21 HG2 GLU 21 -12.503 12.719 7.252 160 HG3 GLU 21 HG3 GLU 21 -11.185 13.357 8.234 161 H VAL 22 H VAL 22 -8.937 10.687 9.640 162 HA VAL 22 HA VAL 22 -8.803 13.278 10.870 163 HB VAL 22 HB VAL 22 -9.977 11.401 11.956 164 HG11 VAL 22 HG11 VAL 22 -8.462 9.590 11.387 165 HG12 VAL 22 HG12 VAL 22 -7.222 10.283 12.431 166 HG13 VAL 22 HG13 VAL 22 -8.722 9.671 13.129 167 HG21 VAL 22 HG21 VAL 22 -7.700 12.533 13.576 168 HG22 VAL 22 HG22 VAL 22 -9.253 13.313 13.280 169 HG23 VAL 22 HG23 VAL 22 -9.179 11.827 14.226 170 H GLU 23 H GLU 23 -6.440 10.766 10.087 171 HA GLU 23 HA GLU 23 -4.413 11.956 11.749 172 HB2 GLU 23 HB2 GLU 23 -4.461 9.532 11.317 173 HB3 GLU 23 HB3 GLU 23 -4.146 9.834 9.613 174 HG2 GLU 23 HG2 GLU 23 -1.974 10.679 10.086 175 HG3 GLU 23 HG3 GLU 23 -2.288 10.681 11.821 176 H ASP 24 H ASP 24 -5.205 11.950 8.309 177 HA ASP 24 HA ASP 24 -4.120 14.498 7.928 178 HB2 ASP 24 HB2 ASP 24 -1.952 13.290 8.062 179 HB3 ASP 24 HB3 ASP 24 -2.448 12.336 6.666 180 H LYS 25 H LYS 25 -3.915 11.794 5.814 181 HA LYS 25 HA LYS 25 -6.233 12.100 4.322 182 HB2 LYS 25 HB2 LYS 25 -5.407 14.361 3.825 183 HB3 LYS 25 HB3 LYS 25 -3.886 13.684 3.241 184 HG2 LYS 25 HG2 LYS 25 -5.218 12.475 1.490 185 HG3 LYS 25 HG3 LYS 25 -6.611 13.427 2.003 186 HD2 LYS 25 HD2 LYS 25 -4.007 14.654 1.134 187 HD3 LYS 25 HD3 LYS 25 -5.329 14.316 0.021 188 HE2 LYS 25 HE2 LYS 25 -6.801 15.716 1.484 189 HE3 LYS 25 HE3 LYS 25 -5.364 16.157 2.406 190 HZ1 LYS 25 HZ1 LYS 25 -4.408 17.043 0.332 191 HZ2 LYS 25 HZ2 LYS 25 -5.867 16.711 -0.469 192 HZ3 LYS 25 HZ3 LYS 25 -5.824 17.849 0.790 193 H LEU 26 H LEU 26 -6.309 10.664 2.594 194 HA LEU 26 HA LEU 26 -5.676 9.183 1.007 195 HB2 LEU 26 HB2 LEU 26 -2.861 10.065 1.632 196 HB3 LEU 26 HB3 LEU 26 -3.327 9.043 0.286 197 HG LEU 26 HG LEU 26 -4.219 11.900 0.681 198 HD11 LEU 26 HD11 LEU 26 -2.754 12.398 -1.203 199 HD12 LEU 26 HD12 LEU 26 -1.847 11.750 0.164 200 HD13 LEU 26 HD13 LEU 26 -2.206 10.721 -1.223 201 HD21 LEU 26 HD21 LEU 26 -5.076 11.705 -1.593 202 HD22 LEU 26 HD22 LEU 26 -4.609 10.005 -1.630 203 HD23 LEU 26 HD23 LEU 26 -5.861 10.551 -0.513 204 H LEU 27 H LEU 27 -5.301 7.049 0.900 205 HA LEU 27 HA LEU 27 -4.169 5.799 3.312 206 HB2 LEU 27 HB2 LEU 27 -6.695 5.685 3.043 207 HB3 LEU 27 HB3 LEU 27 -6.411 4.681 1.641 208 HG LEU 27 HG LEU 27 -5.255 3.031 3.086 209 HD11 LEU 27 HD11 LEU 27 -5.483 3.191 5.504 210 HD12 LEU 27 HD12 LEU 27 -4.550 4.544 4.869 211 HD13 LEU 27 HD13 LEU 27 -6.232 4.778 5.339 212 HD21 LEU 27 HD21 LEU 27 -7.276 2.160 4.117 213 HD22 LEU 27 HD22 LEU 27 -8.058 3.730 3.935 214 HD23 LEU 27 HD23 LEU 27 -7.617 2.794 2.506 215 H PHE 28 H PHE 28 -2.442 4.614 2.878 216 HA PHE 28 HA PHE 28 -2.019 3.646 0.145 217 HB2 PHE 28 HB2 PHE 28 -0.175 4.898 1.219 218 HB3 PHE 28 HB3 PHE 28 -0.124 3.703 2.510 219 HD1 PHE 28 HD1 PHE 28 -0.286 3.462 -1.213 220 HD2 PHE 28 HD2 PHE 28 1.777 2.441 2.365 221 HE1 PHE 28 HE1 PHE 28 1.313 2.123 -2.520 222 HE2 PHE 28 HE2 PHE 28 3.377 1.102 1.063 223 HZ PHE 28 HZ PHE 28 3.144 0.943 -1.382 224 H VAL 29 H VAL 29 -3.076 1.799 -0.149 225 HA VAL 29 HA VAL 29 -3.349 -0.076 2.070 226 HB VAL 29 HB VAL 29 -4.652 -0.168 -0.658 227 HG11 VAL 29 HG11 VAL 29 -5.273 -1.642 1.898 228 HG12 VAL 29 HG12 VAL 29 -6.218 -1.723 0.409 229 HG13 VAL 29 HG13 VAL 29 -4.565 -2.337 0.441 230 HG21 VAL 29 HG21 VAL 29 -6.655 0.677 0.484 231 HG22 VAL 29 HG22 VAL 29 -5.714 0.884 1.962 232 HG23 VAL 29 HG23 VAL 29 -5.327 1.837 0.529 233 H ASP 30 H ASP 30 -1.661 -1.371 2.281 234 HA ASP 30 HA ASP 30 -0.285 -2.459 -0.032 235 HB2 ASP 30 HB2 ASP 30 1.043 -1.825 1.928 236 HB3 ASP 30 HB3 ASP 30 0.117 -2.937 2.933 237 H CYS 31 H CYS 31 -1.461 -3.940 -1.087 238 HA CYS 31 HA CYS 31 -2.855 -6.013 0.448 239 HB2 CYS 31 HB2 CYS 31 -2.964 -5.399 -2.515 240 HB3 CYS 31 HB3 CYS 31 -3.964 -6.572 -1.664 241 HG CYS 31 HG CYS 31 -4.044 -3.283 -0.794 242 H PHE 32 H PHE 32 -1.877 -7.888 0.740 243 HA PHE 32 HA PHE 32 0.194 -8.698 -1.186 244 HB2 PHE 32 HB2 PHE 32 1.416 -9.717 0.733 245 HB3 PHE 32 HB3 PHE 32 1.307 -7.965 0.830 246 HD1 PHE 32 HD1 PHE 32 -0.145 -6.902 2.491 247 HD2 PHE 32 HD2 PHE 32 0.336 -11.129 2.343 248 HE1 PHE 32 HE1 PHE 32 -1.100 -7.086 4.749 249 HE2 PHE 32 HE2 PHE 32 -0.621 -11.318 4.601 250 HZ PHE 32 HZ PHE 32 -1.341 -9.296 5.805 251 H THR 33 H THR 33 0.518 -10.959 -1.409 252 HA THR 33 HA THR 33 -1.881 -12.538 -0.836 253 HB THR 33 HB THR 33 0.490 -13.056 -2.658 254 HG1 THR 33 HG1 THR 33 -1.127 -11.417 -3.250 255 HG21 THR 33 HG21 THR 33 -0.412 -15.181 -1.851 256 HG22 THR 33 HG22 THR 33 -2.037 -14.684 -2.326 257 HG23 THR 33 HG23 THR 33 -0.796 -14.943 -3.554 258 H THR 34 H THR 34 -1.736 -14.569 0.210 259 HA THR 34 HA THR 34 -0.189 -14.726 2.493 260 HB THR 34 HB THR 34 -1.133 -17.229 1.143 261 HG1 THR 34 HG1 THR 34 -3.274 -16.514 2.146 262 HG21 THR 34 HG21 THR 34 -1.334 -16.191 3.969 263 HG22 THR 34 HG22 THR 34 -1.872 -17.774 3.415 264 HG23 THR 34 HG23 THR 34 -0.158 -17.364 3.384 265 H TRP 35 H TRP 35 0.604 -15.563 -0.722 266 HA TRP 35 HA TRP 35 2.577 -17.473 -0.538 267 HB2 TRP 35 HB2 TRP 35 1.622 -16.578 -2.623 268 HB3 TRP 35 HB3 TRP 35 2.464 -15.058 -2.350 269 HD1 TRP 35 HD1 TRP 35 4.522 -14.881 -3.834 270 HE1 TRP 35 HE1 TRP 35 6.266 -16.520 -4.796 271 HE3 TRP 35 HE3 TRP 35 2.770 -19.159 -1.741 272 HZ2 TRP 35 HZ2 TRP 35 6.806 -19.294 -4.650 273 HZ3 TRP 35 HZ3 TRP 35 3.948 -21.280 -2.186 274 HH2 TRP 35 HH2 TRP 35 5.932 -21.340 -3.610 275 H CYS 36 H CYS 36 2.707 -14.077 0.223 276 HA CYS 36 HA CYS 36 4.265 -12.728 1.088 277 HB2 CYS 36 HB2 CYS 36 4.715 -14.410 2.771 278 HB3 CYS 36 HB3 CYS 36 5.767 -15.281 1.662 279 HG CYS 36 HG CYS 36 7.920 -14.119 2.388 280 H GLY 37 H GLY 37 6.774 -14.962 0.050 281 HA2 GLY 37 HA2 GLY 37 8.383 -14.804 -1.572 282 HA3 GLY 37 HA3 GLY 37 7.096 -14.189 -2.595 283 HA PRO 38 HA PRO 38 9.706 -10.636 -3.120 284 HB2 PRO 38 HB2 PRO 38 7.123 -9.366 -3.851 285 HB3 PRO 38 HB3 PRO 38 8.642 -9.434 -4.751 286 HG2 PRO 38 HG2 PRO 38 6.567 -10.952 -5.456 287 HG3 PRO 38 HG3 PRO 38 8.228 -11.565 -5.551 288 HD2 PRO 38 HD2 PRO 38 6.102 -12.149 -3.541 289 HD3 PRO 38 HD3 PRO 38 7.342 -13.222 -4.218 290 H CYS 39 H CYS 39 6.804 -10.622 -1.168 291 HA CYS 39 HA CYS 39 6.761 -8.032 -0.212 292 HB2 CYS 39 HB2 CYS 39 5.010 -9.685 0.255 293 HB3 CYS 39 HB3 CYS 39 6.112 -10.573 1.300 294 HG CYS 39 HG CYS 39 4.848 -7.440 1.882 295 H LYS 40 H LYS 40 8.735 -10.760 0.929 296 HA LYS 40 HA LYS 40 9.800 -9.212 3.094 297 HB2 LYS 40 HB2 LYS 40 11.133 -11.134 3.610 298 HB3 LYS 40 HB3 LYS 40 9.488 -11.638 3.289 299 HG2 LYS 40 HG2 LYS 40 10.171 -12.387 1.059 300 HG3 LYS 40 HG3 LYS 40 11.831 -11.896 1.413 301 HD2 LYS 40 HD2 LYS 40 10.215 -14.021 2.821 302 HD3 LYS 40 HD3 LYS 40 11.633 -14.262 1.795 303 HE2 LYS 40 HE2 LYS 40 13.059 -13.210 3.380 304 HE3 LYS 40 HE3 LYS 40 11.689 -12.636 4.328 305 HZ1 LYS 40 HZ1 LYS 40 12.630 -14.497 5.427 306 HZ2 LYS 40 HZ2 LYS 40 11.150 -15.002 4.773 307 HZ3 LYS 40 HZ3 LYS 40 12.606 -15.439 4.021 308 H ARG 41 H ARG 41 10.663 -9.797 -0.201 309 HA ARG 41 HA ARG 41 13.388 -9.042 -0.078 310 HB2 ARG 41 HB2 ARG 41 12.407 -10.094 -2.083 311 HB3 ARG 41 HB3 ARG 41 11.424 -8.660 -2.354 312 HG2 ARG 41 HG2 ARG 41 13.700 -7.420 -2.389 313 HG3 ARG 41 HG3 ARG 41 14.363 -9.026 -2.692 314 HD2 ARG 41 HD2 ARG 41 12.179 -7.743 -4.316 315 HD3 ARG 41 HD3 ARG 41 13.885 -7.722 -4.747 316 HE ARG 41 HE ARG 41 12.271 -10.192 -4.543 317 HH11 ARG 41 HH11 ARG 41 14.877 -8.323 -5.962 318 HH12 ARG 41 HH12 ARG 41 15.149 -9.450 -7.263 319 HH21 ARG 41 HH21 ARG 41 12.652 -11.689 -6.221 320 HH22 ARG 41 HH22 ARG 41 13.887 -11.378 -7.409 321 H LEU 42 H LEU 42 10.439 -7.180 -0.784 322 HA LEU 42 HA LEU 42 11.662 -4.648 -0.904 323 HB2 LEU 42 HB2 LEU 42 8.856 -5.554 -0.323 324 HB3 LEU 42 HB3 LEU 42 9.287 -3.863 -0.178 325 HG LEU 42 HG LEU 42 9.971 -3.871 -2.566 326 HD11 LEU 42 HD11 LEU 42 10.480 -6.232 -2.833 327 HD12 LEU 42 HD12 LEU 42 8.784 -6.640 -2.575 328 HD13 LEU 42 HD13 LEU 42 9.262 -5.720 -4.001 329 HD21 LEU 42 HD21 LEU 42 7.771 -3.094 -1.910 330 HD22 LEU 42 HD22 LEU 42 7.689 -3.929 -3.461 331 HD23 LEU 42 HD23 LEU 42 7.145 -4.740 -1.992 332 H SER 43 H SER 43 10.351 -6.527 1.750 333 HA SER 43 HA SER 43 10.583 -4.611 3.783 334 HB2 SER 43 HB2 SER 43 9.380 -6.868 3.845 335 HB3 SER 43 HB3 SER 43 10.960 -7.582 4.159 336 HG SER 43 HG SER 43 10.807 -6.960 6.154 337 H LYS 44 H LYS 44 12.930 -6.665 2.235 338 HA LYS 44 HA LYS 44 14.978 -6.397 4.204 339 HB2 LYS 44 HB2 LYS 44 15.027 -8.284 2.703 340 HB3 LYS 44 HB3 LYS 44 15.060 -7.226 1.299 341 HG2 LYS 44 HG2 LYS 44 17.255 -8.046 1.586 342 HG3 LYS 44 HG3 LYS 44 17.272 -6.368 2.127 343 HD2 LYS 44 HD2 LYS 44 18.476 -7.494 3.774 344 HD3 LYS 44 HD3 LYS 44 16.861 -7.332 4.469 345 HE2 LYS 44 HE2 LYS 44 17.685 -9.568 4.852 346 HE3 LYS 44 HE3 LYS 44 16.340 -9.622 3.711 347 HZ1 LYS 44 HZ1 LYS 44 17.855 -9.895 1.907 348 HZ2 LYS 44 HZ2 LYS 44 19.199 -9.633 2.908 349 HZ3 LYS 44 HZ3 LYS 44 18.259 -11.035 3.092 350 H VAL 45 H VAL 45 14.522 -4.921 0.977 351 HA VAL 45 HA VAL 45 16.865 -3.254 1.432 352 HB VAL 45 HB VAL 45 15.110 -3.429 -1.021 353 HG11 VAL 45 HG11 VAL 45 16.994 -2.399 -2.180 354 HG12 VAL 45 HG12 VAL 45 16.409 -1.358 -0.882 355 HG13 VAL 45 HG13 VAL 45 17.884 -2.299 -0.662 356 HG21 VAL 45 HG21 VAL 45 16.857 -4.876 -1.945 357 HG22 VAL 45 HG22 VAL 45 17.712 -4.827 -0.404 358 HG23 VAL 45 HG23 VAL 45 16.125 -5.588 -0.507 359 H VAL 46 H VAL 46 13.432 -2.743 0.599 360 HA VAL 46 HA VAL 46 13.700 0.090 0.515 361 HB VAL 46 HB VAL 46 11.166 -1.535 0.733 362 HG11 VAL 46 HG11 VAL 46 10.837 0.830 1.224 363 HG12 VAL 46 HG12 VAL 46 11.635 1.263 -0.288 364 HG13 VAL 46 HG13 VAL 46 10.100 0.398 -0.319 365 HG21 VAL 46 HG21 VAL 46 12.641 -0.599 -1.722 366 HG22 VAL 46 HG22 VAL 46 12.508 -2.265 -1.163 367 HG23 VAL 46 HG23 VAL 46 11.070 -1.400 -1.703 368 H PHE 47 H PHE 47 12.628 -2.218 2.939 369 HA PHE 47 HA PHE 47 11.626 -0.165 4.700 370 HB2 PHE 47 HB2 PHE 47 12.004 -3.142 5.048 371 HB3 PHE 47 HB3 PHE 47 11.380 -2.099 6.320 372 HD1 PHE 47 HD1 PHE 47 10.379 -1.124 3.007 373 HD2 PHE 47 HD2 PHE 47 9.442 -3.704 6.259 374 HE1 PHE 47 HE1 PHE 47 8.104 -1.414 2.119 375 HE2 PHE 47 HE2 PHE 47 7.166 -3.996 5.376 376 HZ PHE 47 HZ PHE 47 6.494 -2.851 3.302 377 H LYS 48 H LYS 48 14.439 -0.004 3.933 378 HA LYS 48 HA LYS 48 15.528 0.094 6.664 379 HB2 LYS 48 HB2 LYS 48 16.585 -1.637 5.101 380 HB3 LYS 48 HB3 LYS 48 17.223 -0.272 4.200 381 HG2 LYS 48 HG2 LYS 48 18.315 0.509 6.305 382 HG3 LYS 48 HG3 LYS 48 17.803 -1.001 7.059 383 HD2 LYS 48 HD2 LYS 48 19.640 -0.697 4.686 384 HD3 LYS 48 HD3 LYS 48 20.090 -1.198 6.316 385 HE2 LYS 48 HE2 LYS 48 18.680 -3.191 6.081 386 HE3 LYS 48 HE3 LYS 48 18.263 -2.695 4.440 387 HZ1 LYS 48 HZ1 LYS 48 19.986 -4.264 4.255 388 HZ2 LYS 48 HZ2 LYS 48 20.710 -2.757 3.968 389 HZ3 LYS 48 HZ3 LYS 48 20.912 -3.532 5.469 390 H ASP 49 H ASP 49 14.728 1.717 3.793 391 HA ASP 49 HA ASP 49 16.618 3.889 4.179 392 HB2 ASP 49 HB2 ASP 49 16.004 3.035 1.894 393 HB3 ASP 49 HB3 ASP 49 14.389 3.688 2.150 394 H SER 50 H SER 50 16.191 5.592 5.388 395 HA SER 50 HA SER 50 13.730 5.870 6.760 396 HB2 SER 50 HB2 SER 50 15.908 7.947 6.546 397 HB3 SER 50 HB3 SER 50 14.741 7.739 7.851 398 HG SER 50 HG SER 50 15.741 5.677 8.261 399 H LEU 51 H LEU 51 15.109 7.475 3.936 400 HA LEU 51 HA LEU 51 13.310 9.682 3.959 401 HB2 LEU 51 HB2 LEU 51 15.574 9.551 2.816 402 HB3 LEU 51 HB3 LEU 51 14.795 8.610 1.565 403 HG LEU 51 HG LEU 51 13.772 11.347 2.267 404 HD11 LEU 51 HD11 LEU 51 16.148 11.626 1.850 405 HD12 LEU 51 HD12 LEU 51 16.012 10.698 0.357 406 HD13 LEU 51 HD13 LEU 51 15.209 12.261 0.500 407 HD21 LEU 51 HD21 LEU 51 13.032 11.326 -0.064 408 HD22 LEU 51 HD22 LEU 51 13.748 9.728 -0.281 409 HD23 LEU 51 HD23 LEU 51 12.387 9.941 0.820 410 H VAL 52 H VAL 52 13.451 6.703 1.998 411 HA VAL 52 HA VAL 52 11.086 7.197 0.557 412 HB VAL 52 HB VAL 52 12.305 4.515 1.273 413 HG11 VAL 52 HG11 VAL 52 10.319 5.254 -0.879 414 HG12 VAL 52 HG12 VAL 52 11.098 3.682 -0.704 415 HG13 VAL 52 HG13 VAL 52 9.997 4.265 0.546 416 HG21 VAL 52 HG21 VAL 52 13.870 5.952 0.084 417 HG22 VAL 52 HG22 VAL 52 13.326 4.635 -0.956 418 HG23 VAL 52 HG23 VAL 52 12.664 6.256 -1.167 419 H ALA 53 H ALA 53 11.671 5.556 3.622 420 HA ALA 53 HA ALA 53 9.035 4.662 4.070 421 HB1 ALA 53 HB1 ALA 53 10.997 3.835 5.305 422 HB2 ALA 53 HB2 ALA 53 11.120 5.394 6.121 423 HB3 ALA 53 HB3 ALA 53 9.704 4.374 6.376 424 H ASP 54 H ASP 54 10.741 7.596 5.090 425 HA ASP 54 HA ASP 54 8.711 8.726 6.641 426 HB2 ASP 54 HB2 ASP 54 11.008 9.557 6.666 427 HB3 ASP 54 HB3 ASP 54 10.840 10.119 5.007 428 H TYR 55 H TYR 55 9.430 9.106 3.194 429 HA TYR 55 HA TYR 55 7.529 11.068 2.616 430 HB2 TYR 55 HB2 TYR 55 9.390 10.199 1.109 431 HB3 TYR 55 HB3 TYR 55 8.319 8.857 0.721 432 HD1 TYR 55 HD1 TYR 55 8.579 12.549 0.617 433 HD2 TYR 55 HD2 TYR 55 6.673 9.087 -0.956 434 HE1 TYR 55 HE1 TYR 55 7.523 13.928 -1.118 435 HE2 TYR 55 HE2 TYR 55 5.612 10.459 -2.701 436 HH TYR 55 HH TYR 55 6.557 13.708 -3.293 437 H PHE 56 H PHE 56 7.262 7.538 2.592 438 HA PHE 56 HA PHE 56 4.567 7.465 1.706 439 HB2 PHE 56 HB2 PHE 56 6.399 5.473 3.012 440 HB3 PHE 56 HB3 PHE 56 4.703 5.096 2.754 441 HD1 PHE 56 HD1 PHE 56 6.921 7.026 0.491 442 HD2 PHE 56 HD2 PHE 56 4.842 3.379 1.187 443 HE1 PHE 56 HE1 PHE 56 7.432 6.300 -1.803 444 HE2 PHE 56 HE2 PHE 56 5.351 2.648 -1.105 445 HZ PHE 56 HZ PHE 56 6.648 4.108 -2.603 446 H ASN 57 H ASN 57 6.043 7.115 4.927 447 HA ASN 57 HA ASN 57 3.615 6.578 6.260 448 HB2 ASN 57 HB2 ASN 57 6.251 7.587 7.338 449 HB3 ASN 57 HB3 ASN 57 4.914 7.033 8.332 450 HD21 ASN 57 HD21 ASN 57 7.605 6.029 8.190 451 HD22 ASN 57 HD22 ASN 57 7.485 4.363 7.730 452 H ARG 58 H ARG 58 5.245 9.574 5.471 453 HA ARG 58 HA ARG 58 3.594 11.064 7.338 454 HB2 ARG 58 HB2 ARG 58 6.020 11.597 6.929 455 HB3 ARG 58 HB3 ARG 58 5.550 12.184 5.338 456 HG2 ARG 58 HG2 ARG 58 4.072 13.830 6.393 457 HG3 ARG 58 HG3 ARG 58 4.585 13.254 7.982 458 HD2 ARG 58 HD2 ARG 58 6.939 13.818 7.303 459 HD3 ARG 58 HD3 ARG 58 6.260 14.605 5.879 460 HE ARG 58 HE ARG 58 5.301 15.441 8.516 461 HH11 ARG 58 HH11 ARG 58 7.108 16.158 5.611 462 HH12 ARG 58 HH12 ARG 58 7.324 17.834 5.998 463 HH21 ARG 58 HH21 ARG 58 5.572 17.621 9.044 464 HH22 ARG 58 HH22 ARG 58 6.441 18.678 7.970 465 H HIS 59 H HIS 59 3.933 10.728 3.817 466 HA HIS 59 HA HIS 59 2.008 12.844 3.365 467 HB2 HIS 59 HB2 HIS 59 3.577 11.076 1.499 468 HB3 HIS 59 HB3 HIS 59 2.337 12.181 0.919 469 HD1 HIS 59 HD1 HIS 59 3.089 14.500 0.413 470 HD2 HIS 59 HD2 HIS 59 5.744 12.494 2.913 471 HE1 HIS 59 HE1 HIS 59 5.070 16.026 0.670 472 HE2 HIS 59 HE2 HIS 59 6.720 14.738 2.071 473 H PHE 60 H PHE 60 1.785 9.566 4.003 474 HA PHE 60 HA PHE 60 -0.995 9.547 3.056 475 HB2 PHE 60 HB2 PHE 60 0.920 7.218 2.666 476 HB3 PHE 60 HB3 PHE 60 -0.778 7.255 2.218 477 HD1 PHE 60 HD1 PHE 60 2.597 8.347 1.339 478 HD2 PHE 60 HD2 PHE 60 -1.512 8.419 0.235 479 HE1 PHE 60 HE1 PHE 60 3.218 9.115 -0.915 480 HE2 PHE 60 HE2 PHE 60 -0.897 9.178 -2.022 481 HZ PHE 60 HZ PHE 60 1.471 9.530 -2.597 482 H VAL 61 H VAL 61 -2.213 7.721 4.136 483 HA VAL 61 HA VAL 61 -1.047 7.014 6.739 484 HB VAL 61 HB VAL 61 -3.921 6.906 5.789 485 HG11 VAL 61 HG11 VAL 61 -3.489 5.073 7.326 486 HG12 VAL 61 HG12 VAL 61 -2.767 6.191 8.484 487 HG13 VAL 61 HG13 VAL 61 -4.484 6.303 8.102 488 HG21 VAL 61 HG21 VAL 61 -2.490 8.696 7.752 489 HG22 VAL 61 HG22 VAL 61 -3.210 9.165 6.211 490 HG23 VAL 61 HG23 VAL 61 -4.238 8.644 7.545 491 H ASN 62 H ASN 62 -0.315 4.977 7.025 492 HA ASN 62 HA ASN 62 -0.463 3.230 4.715 493 HB2 ASN 62 HB2 ASN 62 1.257 1.891 5.963 494 HB3 ASN 62 HB3 ASN 62 1.730 3.546 5.604 495 HD21 ASN 62 HD21 ASN 62 2.010 4.995 7.251 496 HD22 ASN 62 HD22 ASN 62 2.043 4.532 8.917 497 H LEU 63 H LEU 63 -1.265 1.205 4.654 498 HA LEU 63 HA LEU 63 -2.401 -0.004 7.040 499 HB2 LEU 63 HB2 LEU 63 -4.262 1.296 6.316 500 HB3 LEU 63 HB3 LEU 63 -4.006 0.853 4.640 501 HG LEU 63 HG LEU 63 -4.629 -1.493 5.214 502 HD11 LEU 63 HD11 LEU 63 -5.776 -1.915 7.332 503 HD12 LEU 63 HD12 LEU 63 -4.093 -1.449 7.585 504 HD13 LEU 63 HD13 LEU 63 -5.383 -0.281 7.868 505 HD21 LEU 63 HD21 LEU 63 -6.690 0.610 5.856 506 HD22 LEU 63 HD22 LEU 63 -6.254 0.042 4.244 507 HD23 LEU 63 HD23 LEU 63 -7.024 -1.056 5.389 508 H LYS 64 H LYS 64 -1.874 -2.105 7.001 509 HA LYS 64 HA LYS 64 -1.345 -3.391 4.434 510 HB2 LYS 64 HB2 LYS 64 -0.678 -5.358 5.826 511 HB3 LYS 64 HB3 LYS 64 0.259 -3.910 6.159 512 HG2 LYS 64 HG2 LYS 64 -0.882 -3.534 8.201 513 HG3 LYS 64 HG3 LYS 64 -2.097 -4.756 7.820 514 HD2 LYS 64 HD2 LYS 64 -0.544 -5.653 9.429 515 HD3 LYS 64 HD3 LYS 64 -0.330 -6.481 7.887 516 HE2 LYS 64 HE2 LYS 64 1.615 -5.086 7.402 517 HE3 LYS 64 HE3 LYS 64 1.391 -4.232 8.929 518 HZ1 LYS 64 HZ1 LYS 64 2.111 -7.087 8.556 519 HZ2 LYS 64 HZ2 LYS 64 3.060 -5.871 9.265 520 HZ3 LYS 64 HZ3 LYS 64 1.661 -6.428 10.047 521 H MET 65 H MET 65 -2.941 -4.356 3.375 522 HA MET 65 HA MET 65 -5.387 -4.951 4.884 523 HB2 MET 65 HB2 MET 65 -5.663 -3.338 3.067 524 HB3 MET 65 HB3 MET 65 -5.010 -4.501 1.921 525 HG2 MET 65 HG2 MET 65 -7.436 -4.386 1.792 526 HG3 MET 65 HG3 MET 65 -6.891 -5.982 2.312 527 HE1 MET 65 HE1 MET 65 -9.862 -5.282 2.616 528 HE2 MET 65 HE2 MET 65 -9.178 -6.760 3.294 529 HE3 MET 65 HE3 MET 65 -10.214 -5.731 4.285 530 H ASP 66 H ASP 66 -6.148 -6.943 5.036 531 HA ASP 66 HA ASP 66 -4.543 -9.136 4.165 532 HB2 ASP 66 HB2 ASP 66 -6.421 -8.852 6.143 533 HB3 ASP 66 HB3 ASP 66 -7.290 -9.755 4.898 534 H MET 67 H MET 67 -5.273 -10.848 2.862 535 HA MET 67 HA MET 67 -7.207 -10.074 0.787 536 HB2 MET 67 HB2 MET 67 -4.462 -11.233 0.599 537 HB3 MET 67 HB3 MET 67 -5.595 -11.360 -0.746 538 HG2 MET 67 HG2 MET 67 -4.827 -8.734 0.500 539 HG3 MET 67 HG3 MET 67 -3.896 -9.464 -0.803 540 HE1 MET 67 HE1 MET 67 -4.631 -9.623 -3.252 541 HE2 MET 67 HE2 MET 67 -5.909 -10.724 -2.739 542 HE3 MET 67 HE3 MET 67 -6.283 -9.377 -3.816 543 H GLU 68 H GLU 68 -6.377 -12.200 3.179 544 HA GLU 68 HA GLU 68 -7.755 -14.452 1.880 545 HB2 GLU 68 HB2 GLU 68 -5.325 -14.793 2.491 546 HB3 GLU 68 HB3 GLU 68 -5.797 -14.620 4.174 547 HG2 GLU 68 HG2 GLU 68 -7.167 -16.578 4.055 548 HG3 GLU 68 HG3 GLU 68 -6.909 -16.702 2.315 549 H LYS 69 H LYS 69 -7.390 -12.462 4.723 550 HA LYS 69 HA LYS 69 -9.995 -13.458 5.696 551 HB2 LYS 69 HB2 LYS 69 -7.604 -12.440 7.232 552 HB3 LYS 69 HB3 LYS 69 -9.200 -12.589 7.948 553 HG2 LYS 69 HG2 LYS 69 -9.178 -14.983 7.572 554 HG3 LYS 69 HG3 LYS 69 -7.606 -14.859 6.773 555 HD2 LYS 69 HD2 LYS 69 -6.539 -14.192 8.783 556 HD3 LYS 69 HD3 LYS 69 -8.082 -13.928 9.595 557 HE2 LYS 69 HE2 LYS 69 -7.029 -16.598 8.670 558 HE3 LYS 69 HE3 LYS 69 -6.977 -15.999 10.329 559 HZ1 LYS 69 HZ1 LYS 69 -9.300 -16.862 8.739 560 HZ2 LYS 69 HZ2 LYS 69 -8.867 -17.282 10.326 561 HZ3 LYS 69 HZ3 LYS 69 -9.515 -15.749 9.998 562 H GLY 70 H GLY 70 -11.051 -11.722 7.160 563 HA2 GLY 70 HA2 GLY 70 -11.842 -9.612 7.555 564 HA3 GLY 70 HA3 GLY 70 -10.256 -9.035 7.077 565 H GLU 71 H GLU 71 -12.808 -10.677 5.204 566 HA GLU 71 HA GLU 71 -14.075 -10.032 3.431 567 HB2 GLU 71 HB2 GLU 71 -13.396 -7.194 4.224 568 HB3 GLU 71 HB3 GLU 71 -14.740 -7.710 3.219 569 HG2 GLU 71 HG2 GLU 71 -14.379 -8.335 6.142 570 HG3 GLU 71 HG3 GLU 71 -15.468 -7.130 5.462 571 H GLY 72 H GLY 72 -11.032 -10.214 3.323 572 HA2 GLY 72 HA2 GLY 72 -9.979 -8.404 1.474 573 HA3 GLY 72 HA3 GLY 72 -9.374 -10.029 1.757 574 H VAL 73 H VAL 73 -11.911 -11.268 0.985 575 HA VAL 73 HA VAL 73 -11.326 -11.868 -1.652 576 HB VAL 73 HB VAL 73 -13.634 -12.838 -1.785 577 HG11 VAL 73 HG11 VAL 73 -11.745 -14.139 -0.971 578 HG12 VAL 73 HG12 VAL 73 -12.011 -13.529 0.662 579 HG13 VAL 73 HG13 VAL 73 -13.218 -14.564 -0.102 580 HG21 VAL 73 HG21 VAL 73 -14.982 -12.898 0.264 581 HG22 VAL 73 HG22 VAL 73 -13.853 -11.782 1.034 582 HG23 VAL 73 HG23 VAL 73 -14.805 -11.254 -0.355 583 H GLU 74 H GLU 74 -13.488 -9.344 -0.428 584 HA GLU 74 HA GLU 74 -14.718 -8.849 -2.946 585 HB2 GLU 74 HB2 GLU 74 -14.550 -7.236 -0.414 586 HB3 GLU 74 HB3 GLU 74 -15.347 -6.622 -1.858 587 HG2 GLU 74 HG2 GLU 74 -16.766 -8.699 -1.816 588 HG3 GLU 74 HG3 GLU 74 -16.090 -9.027 -0.220 589 H LEU 75 H LEU 75 -12.048 -7.244 -1.218 590 HA LEU 75 HA LEU 75 -11.615 -5.303 -3.241 591 HB2 LEU 75 HB2 LEU 75 -9.685 -6.362 -1.172 592 HB3 LEU 75 HB3 LEU 75 -9.447 -4.919 -2.138 593 HG LEU 75 HG LEU 75 -11.532 -5.342 0.004 594 HD11 LEU 75 HD11 LEU 75 -9.289 -4.868 0.828 595 HD12 LEU 75 HD12 LEU 75 -9.199 -3.446 -0.207 596 HD13 LEU 75 HD13 LEU 75 -10.368 -3.502 1.112 597 HD21 LEU 75 HD21 LEU 75 -12.497 -4.075 -1.842 598 HD22 LEU 75 HD22 LEU 75 -12.226 -3.040 -0.442 599 HD23 LEU 75 HD23 LEU 75 -11.122 -2.972 -1.816 600 H ARG 76 H ARG 76 -10.387 -8.517 -2.642 601 HA ARG 76 HA ARG 76 -8.333 -8.649 -4.525 602 HB2 ARG 76 HB2 ARG 76 -8.867 -10.341 -2.776 603 HB3 ARG 76 HB3 ARG 76 -10.246 -10.851 -3.728 604 HG2 ARG 76 HG2 ARG 76 -8.803 -11.567 -5.520 605 HG3 ARG 76 HG3 ARG 76 -7.388 -10.965 -4.658 606 HD2 ARG 76 HD2 ARG 76 -7.531 -13.349 -4.381 607 HD3 ARG 76 HD3 ARG 76 -7.866 -12.566 -2.837 608 HE ARG 76 HE ARG 76 -10.275 -13.070 -4.243 609 HH11 ARG 76 HH11 ARG 76 -7.753 -14.708 -2.441 610 HH12 ARG 76 HH12 ARG 76 -8.801 -15.993 -1.909 611 HH21 ARG 76 HH21 ARG 76 -11.656 -14.738 -3.527 612 HH22 ARG 76 HH22 ARG 76 -11.022 -16.015 -2.523 613 H LYS 77 H LYS 77 -11.764 -9.407 -4.846 614 HA LYS 77 HA LYS 77 -11.543 -10.182 -7.593 615 HB2 LYS 77 HB2 LYS 77 -13.171 -11.191 -6.061 616 HB3 LYS 77 HB3 LYS 77 -13.955 -9.633 -5.860 617 HG2 LYS 77 HG2 LYS 77 -14.538 -9.653 -8.255 618 HG3 LYS 77 HG3 LYS 77 -13.816 -11.262 -8.385 619 HD2 LYS 77 HD2 LYS 77 -15.386 -12.090 -6.695 620 HD3 LYS 77 HD3 LYS 77 -16.117 -10.490 -6.593 621 HE2 LYS 77 HE2 LYS 77 -16.708 -10.659 -8.989 622 HE3 LYS 77 HE3 LYS 77 -16.068 -12.303 -8.999 623 HZ1 LYS 77 HZ1 LYS 77 -17.698 -12.867 -7.264 624 HZ2 LYS 77 HZ2 LYS 77 -18.352 -11.305 -7.382 625 HZ3 LYS 77 HZ3 LYS 77 -18.432 -12.363 -8.703 626 H LYS 78 H LYS 78 -12.509 -7.300 -5.835 627 HA LYS 78 HA LYS 78 -13.787 -6.136 -8.145 628 HB2 LYS 78 HB2 LYS 78 -14.703 -5.720 -5.936 629 HB3 LYS 78 HB3 LYS 78 -13.201 -4.966 -5.428 630 HG2 LYS 78 HG2 LYS 78 -13.571 -3.064 -6.693 631 HG3 LYS 78 HG3 LYS 78 -14.716 -3.874 -7.759 632 HD2 LYS 78 HD2 LYS 78 -15.883 -2.342 -6.290 633 HD3 LYS 78 HD3 LYS 78 -16.325 -4.006 -5.907 634 HE2 LYS 78 HE2 LYS 78 -14.709 -3.972 -4.045 635 HE3 LYS 78 HE3 LYS 78 -14.353 -2.283 -4.410 636 HZ1 LYS 78 HZ1 LYS 78 -16.983 -3.382 -3.572 637 HZ2 LYS 78 HZ2 LYS 78 -15.950 -2.423 -2.627 638 HZ3 LYS 78 HZ3 LYS 78 -16.697 -1.763 -3.998 639 H TYR 79 H TYR 79 -10.699 -5.810 -6.536 640 HA TYR 79 HA TYR 79 -10.035 -3.548 -8.266 641 HB2 TYR 79 HB2 TYR 79 -8.770 -4.639 -5.766 642 HB3 TYR 79 HB3 TYR 79 -7.940 -3.466 -6.792 643 HD1 TYR 79 HD1 TYR 79 -10.892 -4.001 -4.632 644 HD2 TYR 79 HD2 TYR 79 -8.617 -1.189 -6.868 645 HE1 TYR 79 HE1 TYR 79 -12.169 -2.162 -3.613 646 HE2 TYR 79 HE2 TYR 79 -9.881 0.651 -5.851 647 HH TYR 79 HH TYR 79 -11.885 0.264 -3.159 648 H GLY 80 H GLY 80 -9.889 -6.788 -8.455 649 HA2 GLY 80 HA2 GLY 80 -8.970 -8.138 -10.051 650 HA3 GLY 80 HA3 GLY 80 -8.436 -6.677 -10.857 651 H VAL 81 H VAL 81 -7.596 -8.867 -8.203 652 HA VAL 81 HA VAL 81 -4.827 -8.102 -8.268 653 HB VAL 81 HB VAL 81 -5.993 -9.053 -6.239 654 HG11 VAL 81 HG11 VAL 81 -5.702 -11.637 -7.759 655 HG12 VAL 81 HG12 VAL 81 -6.120 -11.502 -6.051 656 HG13 VAL 81 HG13 VAL 81 -7.211 -10.862 -7.279 657 HG21 VAL 81 HG21 VAL 81 -4.047 -10.347 -5.491 658 HG22 VAL 81 HG22 VAL 81 -3.470 -10.422 -7.157 659 HG23 VAL 81 HG23 VAL 81 -3.579 -8.868 -6.330 660 H HIS 82 H HIS 82 -3.112 -9.232 -9.209 661 HA HIS 82 HA HIS 82 -3.889 -11.369 -11.090 662 HB2 HIS 82 HB2 HIS 82 -2.033 -9.042 -11.622 663 HB3 HIS 82 HB3 HIS 82 -2.195 -10.436 -12.683 664 HD1 HIS 82 HD1 HIS 82 -4.631 -10.776 -13.751 665 HD2 HIS 82 HD2 HIS 82 -3.876 -7.064 -12.039 666 HE1 HIS 82 HE1 HIS 82 -6.403 -9.236 -14.657 667 HE2 HIS 82 HE2 HIS 82 -5.791 -6.953 -13.775 668 H ALA 83 H ALA 83 -1.464 -10.013 -8.973 669 HA ALA 83 HA ALA 83 -0.042 -12.583 -9.061 670 HB1 ALA 83 HB1 ALA 83 1.305 -9.886 -8.983 671 HB2 ALA 83 HB2 ALA 83 2.107 -11.457 -8.966 672 HB3 ALA 83 HB3 ALA 83 1.210 -10.937 -10.394 673 H TYR 84 H TYR 84 1.931 -11.291 -7.140 674 HA TYR 84 HA TYR 84 0.354 -12.071 -4.820 675 HB2 TYR 84 HB2 TYR 84 3.325 -11.578 -4.902 676 HB3 TYR 84 HB3 TYR 84 2.416 -12.485 -3.700 677 HD1 TYR 84 HD1 TYR 84 0.955 -14.486 -4.856 678 HD2 TYR 84 HD2 TYR 84 4.566 -12.821 -6.363 679 HE1 TYR 84 HE1 TYR 84 1.386 -16.560 -6.102 680 HE2 TYR 84 HE2 TYR 84 5.005 -14.886 -7.618 681 HH TYR 84 HH TYR 84 2.689 -17.229 -8.168 682 HA PRO 85 HA PRO 85 1.661 -7.834 -3.271 683 HB2 PRO 85 HB2 PRO 85 3.633 -6.422 -4.552 684 HB3 PRO 85 HB3 PRO 85 3.930 -7.640 -3.312 685 HG2 PRO 85 HG2 PRO 85 4.563 -7.753 -6.120 686 HG3 PRO 85 HG3 PRO 85 4.941 -8.934 -4.858 687 HD2 PRO 85 HD2 PRO 85 2.749 -8.936 -6.832 688 HD3 PRO 85 HD3 PRO 85 3.449 -10.287 -5.915 689 H THR 86 H THR 86 0.096 -6.371 -3.516 690 HA THR 86 HA THR 86 -0.068 -4.865 -6.042 691 HB THR 86 HB THR 86 -2.501 -5.826 -4.520 692 HG1 THR 86 HG1 THR 86 -1.136 -7.480 -5.648 693 HG21 THR 86 HG21 THR 86 -2.836 -3.794 -5.853 694 HG22 THR 86 HG22 THR 86 -2.191 -4.615 -7.275 695 HG23 THR 86 HG23 THR 86 -3.704 -5.161 -6.552 696 H LEU 87 H LEU 87 -0.055 -2.710 -5.680 697 HA LEU 87 HA LEU 87 -0.593 -1.791 -2.936 698 HB2 LEU 87 HB2 LEU 87 1.054 -0.518 -5.119 699 HB3 LEU 87 HB3 LEU 87 0.749 0.203 -3.550 700 HG LEU 87 HG LEU 87 2.267 -2.361 -4.049 701 HD11 LEU 87 HD11 LEU 87 3.516 -0.382 -4.720 702 HD12 LEU 87 HD12 LEU 87 3.205 0.360 -3.151 703 HD13 LEU 87 HD13 LEU 87 4.201 -1.092 -3.258 704 HD21 LEU 87 HD21 LEU 87 1.730 -0.877 -1.481 705 HD22 LEU 87 HD22 LEU 87 1.035 -2.432 -1.945 706 HD23 LEU 87 HD23 LEU 87 2.770 -2.288 -1.662 707 H LEU 88 H LEU 88 -2.333 -0.604 -2.574 708 HA LEU 88 HA LEU 88 -3.698 0.560 -4.909 709 HB2 LEU 88 HB2 LEU 88 -4.873 -0.229 -2.242 710 HB3 LEU 88 HB3 LEU 88 -5.763 0.430 -3.599 711 HG LEU 88 HG LEU 88 -4.389 -2.253 -3.501 712 HD11 LEU 88 HD11 LEU 88 -7.304 -1.489 -3.617 713 HD12 LEU 88 HD12 LEU 88 -6.665 -3.132 -3.667 714 HD13 LEU 88 HD13 LEU 88 -6.460 -2.148 -2.216 715 HD21 LEU 88 HD21 LEU 88 -5.356 -2.626 -5.708 716 HD22 LEU 88 HD22 LEU 88 -5.982 -0.979 -5.720 717 HD23 LEU 88 HD23 LEU 88 -4.240 -1.258 -5.730 718 H PHE 89 H PHE 89 -3.586 2.674 -5.079 719 HA PHE 89 HA PHE 89 -3.120 4.311 -2.694 720 HB2 PHE 89 HB2 PHE 89 -3.142 5.162 -5.603 721 HB3 PHE 89 HB3 PHE 89 -2.564 6.104 -4.233 722 HD1 PHE 89 HD1 PHE 89 -0.491 5.402 -3.054 723 HD2 PHE 89 HD2 PHE 89 -1.765 3.582 -6.682 724 HE1 PHE 89 HE1 PHE 89 1.771 4.491 -3.390 725 HE2 PHE 89 HE2 PHE 89 0.491 2.670 -7.024 726 HZ PHE 89 HZ PHE 89 2.262 3.123 -5.376 727 H ILE 90 H ILE 90 -4.960 4.888 -1.672 728 HA ILE 90 HA ILE 90 -7.283 5.513 -3.363 729 HB ILE 90 HB ILE 90 -7.517 3.275 -2.371 730 HG12 ILE 90 HG12 ILE 90 -9.411 5.263 -1.111 731 HG13 ILE 90 HG13 ILE 90 -9.519 4.676 -2.767 732 HG21 ILE 90 HG21 ILE 90 -7.840 3.033 0.053 733 HG22 ILE 90 HG22 ILE 90 -6.203 3.535 -0.373 734 HG23 ILE 90 HG23 ILE 90 -7.350 4.714 0.266 735 HD11 ILE 90 HD11 ILE 90 -9.883 2.417 -1.963 736 HD12 ILE 90 HD12 ILE 90 -9.732 2.976 -0.298 737 HD13 ILE 90 HD13 ILE 90 -11.079 3.527 -1.292 738 H ASN 91 H ASN 91 -8.507 7.229 -2.792 739 HA ASN 91 HA ASN 91 -7.385 9.118 -0.932 740 HB2 ASN 91 HB2 ASN 91 -9.963 9.222 -2.521 741 HB3 ASN 91 HB3 ASN 91 -9.279 10.562 -1.610 742 HD21 ASN 91 HD21 ASN 91 -9.894 10.379 -4.433 743 HD22 ASN 91 HD22 ASN 91 -8.417 10.688 -5.275 744 H SER 92 H SER 92 -8.908 10.235 0.657 745 HA SER 92 HA SER 92 -9.795 8.310 2.533 746 HB2 SER 92 HB2 SER 92 -10.369 11.280 2.488 747 HB3 SER 92 HB3 SER 92 -10.421 10.217 3.897 748 HG SER 92 HG SER 92 -8.455 11.422 3.744 749 H SER 93 H SER 93 -11.312 9.890 -0.097 750 HA SER 93 HA SER 93 -14.017 9.641 0.731 751 HB2 SER 93 HB2 SER 93 -13.012 9.675 -2.116 752 HB3 SER 93 HB3 SER 93 -14.572 10.234 -1.512 753 HG SER 93 HG SER 93 -13.129 11.966 -1.911 754 H GLY 94 H GLY 94 -11.697 7.367 -0.262 755 HA2 GLY 94 HA2 GLY 94 -12.020 5.044 -0.205 756 HA3 GLY 94 HA3 GLY 94 -13.747 5.296 -0.380 757 H GLU 95 H GLU 95 -11.752 7.044 -2.543 758 HA GLU 95 HA GLU 95 -12.298 5.078 -4.666 759 HB2 GLU 95 HB2 GLU 95 -12.259 6.964 -6.253 760 HB3 GLU 95 HB3 GLU 95 -13.513 7.159 -5.036 761 HG2 GLU 95 HG2 GLU 95 -12.164 8.758 -3.841 762 HG3 GLU 95 HG3 GLU 95 -10.821 8.504 -4.954 763 H VAL 96 H VAL 96 -10.613 4.399 -5.938 764 HA VAL 96 HA VAL 96 -7.962 5.090 -4.960 765 HB VAL 96 HB VAL 96 -7.129 3.304 -6.439 766 HG11 VAL 96 HG11 VAL 96 -7.729 2.709 -4.192 767 HG12 VAL 96 HG12 VAL 96 -9.419 2.507 -4.654 768 HG13 VAL 96 HG13 VAL 96 -8.197 1.401 -5.280 769 HG21 VAL 96 HG21 VAL 96 -10.028 2.916 -7.168 770 HG22 VAL 96 HG22 VAL 96 -8.742 3.467 -8.241 771 HG23 VAL 96 HG23 VAL 96 -8.711 1.826 -7.598 772 H VAL 97 H VAL 97 -6.358 6.042 -6.150 773 HA VAL 97 HA VAL 97 -7.259 7.448 -8.559 774 HB VAL 97 HB VAL 97 -5.240 8.823 -8.322 775 HG11 VAL 97 HG11 VAL 97 -6.849 8.576 -5.783 776 HG12 VAL 97 HG12 VAL 97 -5.849 9.960 -6.225 777 HG13 VAL 97 HG13 VAL 97 -7.261 9.545 -7.198 778 HG21 VAL 97 HG21 VAL 97 -4.691 7.184 -5.849 779 HG22 VAL 97 HG22 VAL 97 -3.748 7.157 -7.339 780 HG23 VAL 97 HG23 VAL 97 -3.803 8.621 -6.356 781 H TYR 98 H TYR 98 -5.246 4.882 -7.512 782 HA TYR 98 HA TYR 98 -4.580 4.114 -10.178 783 HB2 TYR 98 HB2 TYR 98 -2.918 5.912 -9.804 784 HB3 TYR 98 HB3 TYR 98 -2.340 5.070 -8.375 785 HD1 TYR 98 HD1 TYR 98 -2.758 4.633 -12.050 786 HD2 TYR 98 HD2 TYR 98 -0.587 3.551 -8.558 787 HE1 TYR 98 HE1 TYR 98 -1.135 3.421 -13.443 788 HE2 TYR 98 HE2 TYR 98 1.041 2.334 -9.938 789 HH TYR 98 HH TYR 98 1.225 2.681 -13.300 790 H ARG 99 H ARG 99 -4.272 1.970 -10.243 791 HA ARG 99 HA ARG 99 -3.759 0.564 -7.706 792 HB2 ARG 99 HB2 ARG 99 -5.112 -0.308 -10.255 793 HB3 ARG 99 HB3 ARG 99 -4.596 -1.452 -9.025 794 HG2 ARG 99 HG2 ARG 99 -6.058 -0.439 -7.406 795 HG3 ARG 99 HG3 ARG 99 -6.519 0.813 -8.562 796 HD2 ARG 99 HD2 ARG 99 -6.970 -2.140 -8.991 797 HD3 ARG 99 HD3 ARG 99 -8.184 -1.041 -8.334 798 HE ARG 99 HE ARG 99 -7.879 0.218 -10.515 799 HH11 ARG 99 HH11 ARG 99 -7.461 -3.248 -10.230 800 HH12 ARG 99 HH12 ARG 99 -7.807 -3.548 -11.908 801 HH21 ARG 99 HH21 ARG 99 -8.346 -0.180 -12.711 802 HH22 ARG 99 HH22 ARG 99 -8.311 -1.810 -13.313 803 H LEU 100 H LEU 100 -1.725 -0.033 -7.459 804 HA LEU 100 HA LEU 100 -0.041 -0.356 -9.821 805 HB2 LEU 100 HB2 LEU 100 0.792 1.030 -7.971 806 HB3 LEU 100 HB3 LEU 100 0.682 -0.347 -6.888 807 HG LEU 100 HG LEU 100 2.405 -1.516 -8.194 808 HD11 LEU 100 HD11 LEU 100 1.963 -0.513 -10.375 809 HD12 LEU 100 HD12 LEU 100 2.544 1.046 -9.785 810 HD13 LEU 100 HD13 LEU 100 3.656 -0.316 -9.920 811 HD21 LEU 100 HD21 LEU 100 3.190 1.263 -7.322 812 HD22 LEU 100 HD22 LEU 100 3.051 -0.154 -6.280 813 HD23 LEU 100 HD23 LEU 100 4.288 -0.100 -7.535 814 H VAL 101 H VAL 101 -0.174 -2.271 -10.719 815 HA VAL 101 HA VAL 101 -0.490 -4.653 -9.043 816 HB VAL 101 HB VAL 101 -0.664 -4.383 -12.053 817 HG11 VAL 101 HG11 VAL 101 -1.668 -6.623 -11.989 818 HG12 VAL 101 HG12 VAL 101 -0.010 -6.629 -11.385 819 HG13 VAL 101 HG13 VAL 101 -1.362 -6.701 -10.254 820 HG21 VAL 101 HG21 VAL 101 -2.465 -3.185 -10.948 821 HG22 VAL 101 HG22 VAL 101 -3.083 -4.636 -11.735 822 HG23 VAL 101 HG23 VAL 101 -2.848 -4.613 -9.990 823 H GLY 102 H GLY 102 1.430 -5.284 -8.295 824 HA2 GLY 102 HA2 GLY 102 3.288 -6.764 -8.926 825 HA3 GLY 102 HA3 GLY 102 3.591 -5.674 -10.272 826 H ALA 103 H ALA 103 5.706 -6.176 -8.785 827 HA ALA 103 HA ALA 103 6.061 -3.681 -7.288 828 HB1 ALA 103 HB1 ALA 103 7.372 -4.836 -5.579 829 HB2 ALA 103 HB2 ALA 103 5.722 -5.454 -5.632 830 HB3 ALA 103 HB3 ALA 103 7.036 -6.385 -6.352 831 H GLU 104 H GLU 104 7.839 -2.623 -7.818 832 HA GLU 104 HA GLU 104 9.916 -4.042 -9.339 833 HB2 GLU 104 HB2 GLU 104 9.019 -1.165 -9.660 834 HB3 GLU 104 HB3 GLU 104 10.309 -1.943 -10.571 835 HG2 GLU 104 HG2 GLU 104 8.683 -3.513 -11.514 836 HG3 GLU 104 HG3 GLU 104 7.396 -2.709 -10.620 837 H ASP 105 H ASP 105 11.961 -2.302 -9.304 838 HA ASP 105 HA ASP 105 12.867 -2.641 -6.627 839 HB2 ASP 105 HB2 ASP 105 14.237 -2.678 -8.814 840 HB3 ASP 105 HB3 ASP 105 14.261 -0.922 -8.668 841 H ALA 106 H ALA 106 13.792 -0.895 -5.273 842 HA ALA 106 HA ALA 106 11.802 0.653 -4.289 843 HB1 ALA 106 HB1 ALA 106 13.887 0.118 -3.111 844 HB2 ALA 106 HB2 ALA 106 14.719 1.354 -4.058 845 HB3 ALA 106 HB3 ALA 106 13.424 1.813 -2.950 846 HA PRO 107 HA PRO 107 13.375 4.758 -6.432 847 HB2 PRO 107 HB2 PRO 107 14.643 4.324 -8.849 848 HB3 PRO 107 HB3 PRO 107 15.464 4.701 -7.334 849 HG2 PRO 107 HG2 PRO 107 15.029 2.054 -8.645 850 HG3 PRO 107 HG3 PRO 107 16.467 2.669 -7.808 851 HD2 PRO 107 HD2 PRO 107 14.799 0.939 -6.623 852 HD3 PRO 107 HD3 PRO 107 15.574 2.250 -5.706 853 H GLU 108 H GLU 108 12.724 1.978 -8.513 854 HA GLU 108 HA GLU 108 11.073 3.355 -10.375 855 HB2 GLU 108 HB2 GLU 108 12.241 1.207 -10.835 856 HB3 GLU 108 HB3 GLU 108 11.166 0.405 -9.699 857 HG2 GLU 108 HG2 GLU 108 10.271 -0.064 -11.795 858 HG3 GLU 108 HG3 GLU 108 9.263 1.235 -11.162 859 H LEU 109 H LEU 109 10.487 1.470 -7.457 860 HA LEU 109 HA LEU 109 7.680 1.370 -7.590 861 HB2 LEU 109 HB2 LEU 109 9.416 0.162 -6.033 862 HB3 LEU 109 HB3 LEU 109 9.157 1.540 -4.984 863 HG LEU 109 HG LEU 109 7.798 -0.441 -4.372 864 HD11 LEU 109 HD11 LEU 109 5.671 0.722 -4.104 865 HD12 LEU 109 HD12 LEU 109 7.035 1.775 -3.730 866 HD13 LEU 109 HD13 LEU 109 6.188 1.942 -5.269 867 HD21 LEU 109 HD21 LEU 109 5.905 -1.081 -5.762 868 HD22 LEU 109 HD22 LEU 109 6.409 0.070 -6.999 869 HD23 LEU 109 HD23 LEU 109 7.428 -1.320 -6.619 870 H LEU 110 H LEU 110 9.847 3.612 -5.876 871 HA LEU 110 HA LEU 110 7.903 5.338 -4.845 872 HB2 LEU 110 HB2 LEU 110 10.259 5.369 -4.167 873 HB3 LEU 110 HB3 LEU 110 10.717 5.958 -5.751 874 HG LEU 110 HG LEU 110 9.420 8.039 -5.307 875 HD11 LEU 110 HD11 LEU 110 9.188 6.895 -2.530 876 HD12 LEU 110 HD12 LEU 110 8.746 8.532 -3.015 877 HD13 LEU 110 HD13 LEU 110 7.864 7.150 -3.666 878 HD21 LEU 110 HD21 LEU 110 11.054 9.005 -3.778 879 HD22 LEU 110 HD22 LEU 110 11.569 7.389 -3.291 880 HD23 LEU 110 HD23 LEU 110 11.834 7.939 -4.946 881 H LYS 111 H LYS 111 9.489 5.224 -7.961 882 HA LYS 111 HA LYS 111 8.515 7.634 -9.040 883 HB2 LYS 111 HB2 LYS 111 10.399 6.263 -9.940 884 HB3 LYS 111 HB3 LYS 111 9.226 5.077 -10.489 885 HG2 LYS 111 HG2 LYS 111 8.243 6.730 -11.988 886 HG3 LYS 111 HG3 LYS 111 9.412 7.932 -11.429 887 HD2 LYS 111 HD2 LYS 111 11.239 6.449 -12.188 888 HD3 LYS 111 HD3 LYS 111 10.034 5.338 -12.837 889 HE2 LYS 111 HE2 LYS 111 9.228 7.101 -14.332 890 HE3 LYS 111 HE3 LYS 111 10.445 8.201 -13.684 891 HZ1 LYS 111 HZ1 LYS 111 12.171 6.707 -14.491 892 HZ2 LYS 111 HZ2 LYS 111 10.998 5.660 -15.122 893 HZ3 LYS 111 HZ3 LYS 111 11.171 7.218 -15.766 894 H LYS 112 H LYS 112 7.320 4.289 -9.264 895 HA LYS 112 HA LYS 112 5.071 4.814 -10.854 896 HB2 LYS 112 HB2 LYS 112 5.689 2.626 -8.881 897 HB3 LYS 112 HB3 LYS 112 4.176 2.662 -9.772 898 HG2 LYS 112 HG2 LYS 112 6.959 2.405 -10.883 899 HG3 LYS 112 HG3 LYS 112 5.656 1.216 -10.931 900 HD2 LYS 112 HD2 LYS 112 4.342 2.904 -12.284 901 HD3 LYS 112 HD3 LYS 112 5.837 3.830 -12.414 902 HE2 LYS 112 HE2 LYS 112 5.304 1.046 -13.430 903 HE3 LYS 112 HE3 LYS 112 5.609 2.496 -14.383 904 HZ1 LYS 112 HZ1 LYS 112 7.861 2.559 -13.397 905 HZ2 LYS 112 HZ2 LYS 112 7.537 1.078 -12.630 906 HZ3 LYS 112 HZ3 LYS 112 7.575 1.169 -14.319 907 H VAL 113 H VAL 113 5.550 5.013 -7.379 908 HA VAL 113 HA VAL 113 2.879 5.355 -6.594 909 HB VAL 113 HB VAL 113 5.393 6.524 -5.379 910 HG11 VAL 113 HG11 VAL 113 4.091 6.857 -3.344 911 HG12 VAL 113 HG12 VAL 113 3.416 7.794 -4.676 912 HG13 VAL 113 HG13 VAL 113 2.635 6.297 -4.166 913 HG21 VAL 113 HG21 VAL 113 5.200 4.680 -3.789 914 HG22 VAL 113 HG22 VAL 113 3.779 4.084 -4.645 915 HG23 VAL 113 HG23 VAL 113 5.352 4.086 -5.441 916 H LYS 114 H LYS 114 5.337 7.782 -7.470 917 HA LYS 114 HA LYS 114 3.635 10.009 -7.113 918 HB2 LYS 114 HB2 LYS 114 6.061 10.228 -7.113 919 HB3 LYS 114 HB3 LYS 114 6.116 9.759 -8.809 920 HG2 LYS 114 HG2 LYS 114 5.165 11.761 -9.513 921 HG3 LYS 114 HG3 LYS 114 4.524 12.133 -7.916 922 HD2 LYS 114 HD2 LYS 114 7.450 11.996 -8.558 923 HD3 LYS 114 HD3 LYS 114 6.504 13.483 -8.632 924 HE2 LYS 114 HE2 LYS 114 6.845 11.736 -6.204 925 HE3 LYS 114 HE3 LYS 114 7.697 13.241 -6.518 926 HZ1 LYS 114 HZ1 LYS 114 5.835 13.620 -5.051 927 HZ2 LYS 114 HZ2 LYS 114 5.560 14.398 -6.529 928 HZ3 LYS 114 HZ3 LYS 114 4.763 12.948 -6.172 929 H LEU 115 H LEU 115 4.524 8.150 -10.004 930 HA LEU 115 HA LEU 115 3.094 9.758 -11.833 931 HB2 LEU 115 HB2 LEU 115 4.241 7.010 -11.887 932 HB3 LEU 115 HB3 LEU 115 3.092 7.448 -13.136 933 HG LEU 115 HG LEU 115 4.538 9.318 -13.816 934 HD11 LEU 115 HD11 LEU 115 6.443 8.264 -11.736 935 HD12 LEU 115 HD12 LEU 115 6.803 9.514 -12.926 936 HD13 LEU 115 HD13 LEU 115 5.590 9.807 -11.678 937 HD21 LEU 115 HD21 LEU 115 6.343 7.985 -14.778 938 HD22 LEU 115 HD22 LEU 115 5.956 6.666 -13.675 939 HD23 LEU 115 HD23 LEU 115 4.791 7.158 -14.904 940 H GLY 116 H GLY 116 2.088 7.253 -9.656 941 HA2 GLY 116 HA2 GLY 116 -0.420 6.757 -10.978 942 HA3 GLY 116 HA3 GLY 116 0.056 6.182 -9.386 943 H VAL 117 H VAL 117 0.631 8.681 -8.197 944 HA VAL 117 HA VAL 117 -2.068 9.486 -7.580 945 HB VAL 117 HB VAL 117 0.535 10.586 -6.505 946 HG11 VAL 117 HG11 VAL 117 -2.282 10.808 -5.456 947 HG12 VAL 117 HG12 VAL 117 -0.833 11.395 -4.640 948 HG13 VAL 117 HG13 VAL 117 -1.333 12.110 -6.174 949 HG21 VAL 117 HG21 VAL 117 0.137 9.137 -4.571 950 HG22 VAL 117 HG22 VAL 117 -1.279 8.457 -5.372 951 HG23 VAL 117 HG23 VAL 117 0.327 8.198 -6.052 952 H GLU 118 H GLU 118 0.773 10.904 -9.112 953 HA GLU 118 HA GLU 118 -0.935 13.081 -10.116 954 HB2 GLU 118 HB2 GLU 118 0.645 13.825 -8.305 955 HB3 GLU 118 HB3 GLU 118 1.978 13.360 -9.352 956 HG2 GLU 118 HG2 GLU 118 1.254 14.992 -11.011 957 HG3 GLU 118 HG3 GLU 118 -0.095 15.447 -9.969 958 H SER 119 H SER 119 -1.252 11.942 -12.036 959 HA SER 119 HA SER 119 0.953 10.860 -13.512 960 HB2 SER 119 HB2 SER 119 -1.911 11.254 -14.404 961 HB3 SER 119 HB3 SER 119 -0.722 10.163 -15.112 962 HG SER 119 HG SER 119 -0.667 9.223 -12.871 963 H GLU 120 H GLU 120 2.292 12.064 -14.678 964 HA GLU 120 HA GLU 120 1.359 14.552 -15.874 965 HB2 GLU 120 HB2 GLU 120 3.725 14.910 -16.476 966 HB3 GLU 120 HB3 GLU 120 3.515 14.641 -14.752 967 HG2 GLU 120 HG2 GLU 120 4.270 12.341 -15.006 968 HG3 GLU 120 HG3 GLU 120 4.456 12.586 -16.742 969 H GLY 121 H GLY 121 1.951 14.964 -18.194 970 HA2 GLY 121 HA2 GLY 121 2.058 12.535 -19.822 971 HA3 GLY 121 HA3 GLY 121 0.647 13.567 -20.000 Start of MODEL 2 1 H ALA 1 H ALA 1 22.155 5.617 11.874 2 HA ALA 1 HA ALA 1 20.607 7.028 13.966 3 HB1 ALA 1 HB1 ALA 1 19.995 6.556 11.048 4 HB2 ALA 1 HB2 ALA 1 18.912 7.308 12.219 5 HB3 ALA 1 HB3 ALA 1 20.425 8.102 11.782 6 H GLN 2 H GLN 2 18.305 5.998 13.944 7 HA GLN 2 HA GLN 2 18.723 3.124 14.302 8 HB2 GLN 2 HB2 GLN 2 16.463 4.917 15.214 9 HB3 GLN 2 HB3 GLN 2 16.618 3.204 15.590 10 HG2 GLN 2 HG2 GLN 2 18.640 3.619 16.834 11 HG3 GLN 2 HG3 GLN 2 18.602 5.321 16.385 12 HE21 GLN 2 HE21 GLN 2 15.721 3.540 17.209 13 HE22 GLN 2 HE22 GLN 2 15.434 4.329 18.725 14 H ALA 3 H ALA 3 17.964 1.705 12.891 15 HA ALA 3 HA ALA 3 16.018 2.629 10.896 16 HB1 ALA 3 HB1 ALA 3 18.117 1.722 10.025 17 HB2 ALA 3 HB2 ALA 3 17.803 0.198 10.853 18 HB3 ALA 3 HB3 ALA 3 16.738 0.728 9.551 19 H ASP 4 H ASP 4 14.044 2.339 11.736 20 HA ASP 4 HA ASP 4 13.399 -0.266 12.923 21 HB2 ASP 4 HB2 ASP 4 11.367 0.776 13.774 22 HB3 ASP 4 HB3 ASP 4 12.767 1.734 14.237 23 H GLY 5 H GLY 5 13.174 1.505 10.069 24 HA2 GLY 5 HA2 GLY 5 12.509 0.712 8.007 25 HA3 GLY 5 HA3 GLY 5 11.852 -0.712 8.800 26 H ILE 6 H ILE 6 9.978 -0.702 7.615 27 HA ILE 6 HA ILE 6 8.283 1.648 7.564 28 HB ILE 6 HB ILE 6 7.700 -1.128 6.517 29 HG12 ILE 6 HG12 ILE 6 9.783 -0.117 5.555 30 HG13 ILE 6 HG13 ILE 6 8.519 -0.416 4.371 31 HG21 ILE 6 HG21 ILE 6 5.738 0.296 6.791 32 HG22 ILE 6 HG22 ILE 6 6.504 1.548 5.813 33 HG23 ILE 6 HG23 ILE 6 6.079 -0.003 5.087 34 HD11 ILE 6 HD11 ILE 6 7.920 1.956 4.428 35 HD12 ILE 6 HD12 ILE 6 9.200 2.241 5.610 36 HD13 ILE 6 HD13 ILE 6 9.609 1.714 3.976 37 H ALA 7 H ALA 7 6.420 1.917 8.695 38 HA ALA 7 HA ALA 7 5.720 -0.177 10.650 39 HB1 ALA 7 HB1 ALA 7 4.946 1.597 12.134 40 HB2 ALA 7 HB2 ALA 7 6.644 1.827 11.715 41 HB3 ALA 7 HB3 ALA 7 5.403 2.810 10.938 42 H PHE 8 H PHE 8 3.958 -1.184 9.955 43 HA PHE 8 HA PHE 8 1.931 0.324 8.476 44 HB2 PHE 8 HB2 PHE 8 2.578 -2.600 8.711 45 HB3 PHE 8 HB3 PHE 8 1.028 -2.063 8.094 46 HD1 PHE 8 HD1 PHE 8 1.115 -0.376 6.119 47 HD2 PHE 8 HD2 PHE 8 4.348 -2.889 7.266 48 HE1 PHE 8 HE1 PHE 8 2.082 -0.148 3.870 49 HE2 PHE 8 HE2 PHE 8 5.325 -2.663 5.018 50 HZ PHE 8 HZ PHE 8 4.192 -1.291 3.318 51 H ARG 9 H ARG 9 -0.192 0.384 9.082 52 HA ARG 9 HA ARG 9 -0.837 -0.662 11.759 53 HB2 ARG 9 HB2 ARG 9 -2.710 1.002 11.716 54 HB3 ARG 9 HB3 ARG 9 -1.111 1.733 11.676 55 HG2 ARG 9 HG2 ARG 9 -1.906 1.323 8.999 56 HG3 ARG 9 HG3 ARG 9 -3.272 2.046 9.851 57 HD2 ARG 9 HD2 ARG 9 -0.477 3.136 10.057 58 HD3 ARG 9 HD3 ARG 9 -1.595 3.638 8.791 59 HE ARG 9 HE ARG 9 -3.036 4.033 11.041 60 HH11 ARG 9 HH11 ARG 9 0.224 4.972 10.148 61 HH12 ARG 9 HH12 ARG 9 0.155 6.487 11.008 62 HH21 ARG 9 HH21 ARG 9 -3.118 6.034 12.160 63 HH22 ARG 9 HH22 ARG 9 -1.729 7.075 12.152 64 H GLU 10 H GLU 10 -2.783 -1.834 12.035 65 HA GLU 10 HA GLU 10 -3.971 -2.792 9.510 66 HB2 GLU 10 HB2 GLU 10 -3.346 -4.365 12.011 67 HB3 GLU 10 HB3 GLU 10 -4.339 -4.977 10.693 68 HG2 GLU 10 HG2 GLU 10 -2.470 -4.797 9.163 69 HG3 GLU 10 HG3 GLU 10 -1.473 -4.097 10.437 70 H LEU 11 H LEU 11 -5.752 -1.523 9.514 71 HA LEU 11 HA LEU 11 -7.689 -1.957 11.673 72 HB2 LEU 11 HB2 LEU 11 -6.929 0.571 10.253 73 HB3 LEU 11 HB3 LEU 11 -8.540 0.377 10.891 74 HG LEU 11 HG LEU 11 -7.331 1.601 12.506 75 HD11 LEU 11 HD11 LEU 11 -7.385 -1.268 13.415 76 HD12 LEU 11 HD12 LEU 11 -7.334 0.152 14.460 77 HD13 LEU 11 HD13 LEU 11 -8.745 -0.145 13.442 78 HD21 LEU 11 HD21 LEU 11 -5.181 -0.503 12.354 79 HD22 LEU 11 HD22 LEU 11 -5.079 1.135 11.707 80 HD23 LEU 11 HD23 LEU 11 -5.199 0.879 13.449 81 H SER 12 H SER 12 -9.963 -1.522 10.920 82 HA SER 12 HA SER 12 -10.474 -2.945 8.490 83 HB2 SER 12 HB2 SER 12 -12.433 -1.452 10.254 84 HB3 SER 12 HB3 SER 12 -12.821 -2.696 9.066 85 HG SER 12 HG SER 12 -11.231 -3.068 11.401 86 H PHE 13 H PHE 13 -11.868 -2.141 6.754 87 HA PHE 13 HA PHE 13 -10.833 0.080 5.475 88 HB2 PHE 13 HB2 PHE 13 -12.037 -1.653 4.286 89 HB3 PHE 13 HB3 PHE 13 -13.537 -1.209 5.078 90 HD1 PHE 13 HD1 PHE 13 -10.932 0.073 2.770 91 HD2 PHE 13 HD2 PHE 13 -14.945 0.397 4.153 92 HE1 PHE 13 HE1 PHE 13 -11.431 1.655 0.954 93 HE2 PHE 13 HE2 PHE 13 -15.446 1.978 2.338 94 HZ PHE 13 HZ PHE 13 -13.688 2.607 0.736 95 HA PRO 14 HA PRO 14 -14.851 2.658 6.944 96 HB2 PRO 14 HB2 PRO 14 -14.955 1.310 9.601 97 HB3 PRO 14 HB3 PRO 14 -16.261 2.037 8.658 98 HG2 PRO 14 HG2 PRO 14 -15.934 -0.615 8.766 99 HG3 PRO 14 HG3 PRO 14 -16.478 0.194 7.287 100 HD2 PRO 14 HD2 PRO 14 -13.848 -1.026 7.910 101 HD3 PRO 14 HD3 PRO 14 -14.659 -0.802 6.353 102 H GLU 15 H GLU 15 -12.711 1.380 9.493 103 HA GLU 15 HA GLU 15 -12.189 3.825 10.750 104 HB2 GLU 15 HB2 GLU 15 -10.683 1.227 10.622 105 HB3 GLU 15 HB3 GLU 15 -10.059 2.606 11.513 106 HG2 GLU 15 HG2 GLU 15 -12.683 1.212 11.996 107 HG3 GLU 15 HG3 GLU 15 -11.227 1.070 12.981 108 H ALA 16 H ALA 16 -10.396 2.104 8.220 109 HA ALA 16 HA ALA 16 -8.165 3.760 8.091 110 HB1 ALA 16 HB1 ALA 16 -7.808 2.842 5.858 111 HB2 ALA 16 HB2 ALA 16 -8.296 1.585 6.996 112 HB3 ALA 16 HB3 ALA 16 -9.464 2.230 5.841 113 H LEU 17 H LEU 17 -11.250 4.035 6.402 114 HA LEU 17 HA LEU 17 -10.509 6.247 4.780 115 HB2 LEU 17 HB2 LEU 17 -12.426 4.708 4.354 116 HB3 LEU 17 HB3 LEU 17 -13.259 5.423 5.715 117 HG LEU 17 HG LEU 17 -13.283 7.597 4.550 118 HD11 LEU 17 HD11 LEU 17 -12.114 6.056 2.240 119 HD12 LEU 17 HD12 LEU 17 -12.663 7.731 2.204 120 HD13 LEU 17 HD13 LEU 17 -11.271 7.280 3.190 121 HD21 LEU 17 HD21 LEU 17 -15.189 6.097 4.344 122 HD22 LEU 17 HD22 LEU 17 -14.933 6.990 2.844 123 HD23 LEU 17 HD23 LEU 17 -14.430 5.303 2.965 124 H LYS 18 H LYS 18 -12.433 5.970 7.708 125 HA LYS 18 HA LYS 18 -13.019 8.653 8.121 126 HB2 LYS 18 HB2 LYS 18 -14.079 6.729 9.261 127 HB3 LYS 18 HB3 LYS 18 -12.612 6.497 10.195 128 HG2 LYS 18 HG2 LYS 18 -12.922 8.576 11.328 129 HG3 LYS 18 HG3 LYS 18 -14.281 8.996 10.278 130 HD2 LYS 18 HD2 LYS 18 -15.540 7.086 11.131 131 HD3 LYS 18 HD3 LYS 18 -14.181 6.640 12.163 132 HE2 LYS 18 HE2 LYS 18 -14.406 8.752 13.367 133 HE3 LYS 18 HE3 LYS 18 -15.761 9.202 12.331 134 HZ1 LYS 18 HZ1 LYS 18 -17.021 7.356 13.171 135 HZ2 LYS 18 HZ2 LYS 18 -15.704 6.813 14.094 136 HZ3 LYS 18 HZ3 LYS 18 -16.467 8.281 14.481 137 H ARG 19 H ARG 19 -10.318 6.750 9.466 138 HA ARG 19 HA ARG 19 -9.233 8.860 10.992 139 HB2 ARG 19 HB2 ARG 19 -7.942 6.356 9.917 140 HB3 ARG 19 HB3 ARG 19 -7.192 7.440 11.069 141 HG2 ARG 19 HG2 ARG 19 -9.675 5.807 11.476 142 HG3 ARG 19 HG3 ARG 19 -8.102 5.573 12.235 143 HD2 ARG 19 HD2 ARG 19 -9.826 8.021 12.578 144 HD3 ARG 19 HD3 ARG 19 -9.779 6.671 13.703 145 HE ARG 19 HE ARG 19 -7.245 7.997 13.142 146 HH11 ARG 19 HH11 ARG 19 -10.005 7.646 15.278 147 HH12 ARG 19 HH12 ARG 19 -9.186 8.325 16.652 148 HH21 ARG 19 HH21 ARG 19 -6.180 8.898 14.933 149 HH22 ARG 19 HH22 ARG 19 -7.004 9.020 16.457 150 H ALA 20 H ALA 20 -8.570 7.739 7.703 151 HA ALA 20 HA ALA 20 -6.291 9.377 7.291 152 HB1 ALA 20 HB1 ALA 20 -6.813 7.419 5.904 153 HB2 ALA 20 HB2 ALA 20 -8.186 8.288 5.220 154 HB3 ALA 20 HB3 ALA 20 -6.546 8.875 4.944 155 H GLU 21 H GLU 21 -9.744 9.922 6.895 156 HA GLU 21 HA GLU 21 -9.504 12.346 5.454 157 HB2 GLU 21 HB2 GLU 21 -11.593 10.996 5.588 158 HB3 GLU 21 HB3 GLU 21 -11.763 11.485 7.269 159 HG2 GLU 21 HG2 GLU 21 -11.826 13.851 6.504 160 HG3 GLU 21 HG3 GLU 21 -11.849 13.261 4.844 161 H VAL 22 H VAL 22 -9.654 11.599 8.913 162 HA VAL 22 HA VAL 22 -9.771 14.412 9.585 163 HB VAL 22 HB VAL 22 -9.823 13.681 11.937 164 HG11 VAL 22 HG11 VAL 22 -12.009 12.569 11.846 165 HG12 VAL 22 HG12 VAL 22 -11.901 13.916 10.713 166 HG13 VAL 22 HG13 VAL 22 -11.768 12.258 10.128 167 HG21 VAL 22 HG21 VAL 22 -9.698 10.889 10.797 168 HG22 VAL 22 HG22 VAL 22 -8.448 11.672 11.763 169 HG23 VAL 22 HG23 VAL 22 -10.015 11.301 12.483 170 H GLU 23 H GLU 23 -7.321 11.868 9.584 171 HA GLU 23 HA GLU 23 -5.484 13.717 10.957 172 HB2 GLU 23 HB2 GLU 23 -5.329 10.722 10.635 173 HB3 GLU 23 HB3 GLU 23 -4.105 11.709 11.417 174 HG2 GLU 23 HG2 GLU 23 -5.839 12.428 13.052 175 HG3 GLU 23 HG3 GLU 23 -6.930 11.248 12.322 176 H ASP 24 H ASP 24 -5.830 11.835 7.983 177 HA ASP 24 HA ASP 24 -3.027 12.491 7.381 178 HB2 ASP 24 HB2 ASP 24 -3.562 10.070 7.936 179 HB3 ASP 24 HB3 ASP 24 -4.437 10.014 6.409 180 H LYS 25 H LYS 25 -3.523 11.017 4.778 181 HA LYS 25 HA LYS 25 -4.459 13.409 3.334 182 HB2 LYS 25 HB2 LYS 25 -1.950 13.163 3.712 183 HB3 LYS 25 HB3 LYS 25 -2.026 11.763 2.652 184 HG2 LYS 25 HG2 LYS 25 -2.495 13.066 0.777 185 HG3 LYS 25 HG3 LYS 25 -2.980 14.459 1.754 186 HD2 LYS 25 HD2 LYS 25 -0.643 14.593 2.603 187 HD3 LYS 25 HD3 LYS 25 -0.201 13.319 1.468 188 HE2 LYS 25 HE2 LYS 25 -1.519 15.843 0.536 189 HE3 LYS 25 HE3 LYS 25 0.221 15.766 0.799 190 HZ1 LYS 25 HZ1 LYS 25 0.353 13.957 -0.793 191 HZ2 LYS 25 HZ2 LYS 25 -1.325 14.013 -1.043 192 HZ3 LYS 25 HZ3 LYS 25 -0.353 15.322 -1.503 193 H LEU 26 H LEU 26 -3.452 10.012 2.975 194 HA LEU 26 HA LEU 26 -5.781 9.483 1.312 195 HB2 LEU 26 HB2 LEU 26 -2.959 9.181 0.321 196 HB3 LEU 26 HB3 LEU 26 -4.281 8.254 -0.354 197 HG LEU 26 HG LEU 26 -4.052 11.266 -0.385 198 HD11 LEU 26 HD11 LEU 26 -2.470 10.161 -1.878 199 HD12 LEU 26 HD12 LEU 26 -3.785 9.229 -2.592 200 HD13 LEU 26 HD13 LEU 26 -3.740 10.981 -2.787 201 HD21 LEU 26 HD21 LEU 26 -6.000 11.157 -1.881 202 HD22 LEU 26 HD22 LEU 26 -6.119 9.423 -1.581 203 HD23 LEU 26 HD23 LEU 26 -6.370 10.566 -0.260 204 H LEU 27 H LEU 27 -6.204 7.249 0.989 205 HA LEU 27 HA LEU 27 -5.233 5.552 3.135 206 HB2 LEU 27 HB2 LEU 27 -7.377 5.249 1.037 207 HB3 LEU 27 HB3 LEU 27 -6.876 3.898 2.031 208 HG LEU 27 HG LEU 27 -7.511 5.299 4.047 209 HD11 LEU 27 HD11 LEU 27 -8.948 6.950 1.978 210 HD12 LEU 27 HD12 LEU 27 -9.028 7.133 3.734 211 HD13 LEU 27 HD13 LEU 27 -7.522 7.472 2.877 212 HD21 LEU 27 HD21 LEU 27 -8.876 3.462 3.222 213 HD22 LEU 27 HD22 LEU 27 -9.884 4.780 3.816 214 HD23 LEU 27 HD23 LEU 27 -9.667 4.549 2.082 215 H PHE 28 H PHE 28 -3.339 4.529 2.805 216 HA PHE 28 HA PHE 28 -2.806 3.438 0.122 217 HB2 PHE 28 HB2 PHE 28 -1.089 4.990 0.805 218 HB3 PHE 28 HB3 PHE 28 -0.918 4.192 2.362 219 HD1 PHE 28 HD1 PHE 28 -0.489 3.638 -1.287 220 HD2 PHE 28 HD2 PHE 28 0.652 2.520 2.657 221 HE1 PHE 28 HE1 PHE 28 1.300 2.223 -2.209 222 HE2 PHE 28 HE2 PHE 28 2.443 1.106 1.743 223 HZ PHE 28 HZ PHE 28 2.767 0.953 -0.694 224 H VAL 29 H VAL 29 -3.230 1.338 -0.048 225 HA VAL 29 HA VAL 29 -2.993 -0.342 2.358 226 HB VAL 29 HB VAL 29 -4.585 -0.830 -0.165 227 HG11 VAL 29 HG11 VAL 29 -4.352 -2.517 2.326 228 HG12 VAL 29 HG12 VAL 29 -5.475 -2.803 0.996 229 HG13 VAL 29 HG13 VAL 29 -3.736 -2.928 0.725 230 HG21 VAL 29 HG21 VAL 29 -5.566 0.861 1.285 231 HG22 VAL 29 HG22 VAL 29 -6.533 -0.614 1.291 232 HG23 VAL 29 HG23 VAL 29 -5.475 -0.249 2.656 233 H ASP 30 H ASP 30 -1.294 -1.582 2.475 234 HA ASP 30 HA ASP 30 0.160 -2.412 0.097 235 HB2 ASP 30 HB2 ASP 30 1.428 -1.731 2.103 236 HB3 ASP 30 HB3 ASP 30 0.645 -3.005 3.031 237 H CYS 31 H CYS 31 -0.691 -4.044 -1.002 238 HA CYS 31 HA CYS 31 -1.901 -6.263 0.509 239 HB2 CYS 31 HB2 CYS 31 -3.526 -5.043 -0.883 240 HB3 CYS 31 HB3 CYS 31 -2.527 -5.325 -2.303 241 HG CYS 31 HG CYS 31 -4.826 -7.267 -0.935 242 H PHE 32 H PHE 32 -0.589 -7.959 0.557 243 HA PHE 32 HA PHE 32 0.961 -8.590 -1.865 244 HB2 PHE 32 HB2 PHE 32 2.777 -9.402 -0.494 245 HB3 PHE 32 HB3 PHE 32 2.394 -7.764 0.015 246 HD1 PHE 32 HD1 PHE 32 0.868 -7.502 2.077 247 HD2 PHE 32 HD2 PHE 32 2.864 -11.121 1.058 248 HE1 PHE 32 HE1 PHE 32 0.624 -8.289 4.392 249 HE2 PHE 32 HE2 PHE 32 2.618 -11.912 3.374 250 HZ PHE 32 HZ PHE 32 1.495 -10.496 5.043 251 H THR 33 H THR 33 1.397 -10.879 -2.162 252 HA THR 33 HA THR 33 -0.752 -12.539 -1.071 253 HB THR 33 HB THR 33 1.179 -13.341 -3.253 254 HG1 THR 33 HG1 THR 33 -0.901 -11.497 -3.324 255 HG21 THR 33 HG21 THR 33 -1.667 -14.161 -2.651 256 HG22 THR 33 HG22 THR 33 -0.655 -14.795 -3.949 257 HG23 THR 33 HG23 THR 33 -0.228 -15.104 -2.264 258 H THR 34 H THR 34 -0.217 -14.706 -0.300 259 HA THR 34 HA THR 34 1.753 -14.609 1.689 260 HB THR 34 HB THR 34 0.468 -17.139 0.658 261 HG1 THR 34 HG1 THR 34 -1.254 -15.797 0.983 262 HG21 THR 34 HG21 THR 34 0.575 -17.814 3.021 263 HG22 THR 34 HG22 THR 34 2.180 -17.445 2.385 264 HG23 THR 34 HG23 THR 34 1.352 -16.280 3.420 265 H TRP 35 H TRP 35 2.052 -15.464 -1.608 266 HA TRP 35 HA TRP 35 4.084 -17.390 -1.523 267 HB2 TRP 35 HB2 TRP 35 3.425 -15.298 -3.598 268 HB3 TRP 35 HB3 TRP 35 4.648 -16.544 -3.835 269 HD1 TRP 35 HD1 TRP 35 0.867 -16.074 -3.568 270 HE1 TRP 35 HE1 TRP 35 -0.305 -18.176 -4.475 271 HE3 TRP 35 HE3 TRP 35 4.970 -19.031 -4.206 272 HZ2 TRP 35 HZ2 TRP 35 0.441 -20.769 -5.349 273 HZ3 TRP 35 HZ3 TRP 35 4.662 -21.304 -5.074 274 HH2 TRP 35 HH2 TRP 35 2.446 -22.158 -5.634 275 H CYS 36 H CYS 36 6.207 -17.302 -1.203 276 HA CYS 36 HA CYS 36 7.338 -14.867 -0.168 277 HB2 CYS 36 HB2 CYS 36 8.671 -17.538 -0.648 278 HB3 CYS 36 HB3 CYS 36 9.266 -16.237 0.375 279 HG CYS 36 HG CYS 36 6.569 -16.586 1.799 280 H GLY 37 H GLY 37 7.905 -13.349 -1.610 281 HA2 GLY 37 HA2 GLY 37 9.946 -14.041 -3.567 282 HA3 GLY 37 HA3 GLY 37 8.444 -13.410 -4.224 283 HA PRO 38 HA PRO 38 10.659 -9.522 -4.119 284 HB2 PRO 38 HB2 PRO 38 8.304 -8.051 -4.506 285 HB3 PRO 38 HB3 PRO 38 9.401 -8.618 -5.767 286 HG2 PRO 38 HG2 PRO 38 6.836 -9.786 -4.810 287 HG3 PRO 38 HG3 PRO 38 7.527 -9.770 -6.442 288 HD2 PRO 38 HD2 PRO 38 7.553 -11.980 -4.930 289 HD3 PRO 38 HD3 PRO 38 8.906 -11.585 -6.009 290 H CYS 39 H CYS 39 7.644 -10.094 -2.378 291 HA CYS 39 HA CYS 39 7.605 -7.918 -0.667 292 HB2 CYS 39 HB2 CYS 39 6.380 -9.566 0.887 293 HB3 CYS 39 HB3 CYS 39 5.696 -9.299 -0.715 294 HG CYS 39 HG CYS 39 5.984 -12.110 0.513 295 H LYS 40 H LYS 40 9.436 -10.917 -0.433 296 HA LYS 40 HA LYS 40 10.260 -10.488 2.274 297 HB2 LYS 40 HB2 LYS 40 11.390 -12.347 0.175 298 HB3 LYS 40 HB3 LYS 40 11.759 -12.402 1.892 299 HG2 LYS 40 HG2 LYS 40 9.074 -12.905 0.620 300 HG3 LYS 40 HG3 LYS 40 10.149 -14.110 1.328 301 HD2 LYS 40 HD2 LYS 40 8.909 -11.819 2.851 302 HD3 LYS 40 HD3 LYS 40 8.263 -13.459 2.813 303 HE2 LYS 40 HE2 LYS 40 11.022 -12.720 3.781 304 HE3 LYS 40 HE3 LYS 40 9.627 -12.961 4.830 305 HZ1 LYS 40 HZ1 LYS 40 9.475 -15.250 3.881 306 HZ2 LYS 40 HZ2 LYS 40 10.971 -14.985 3.120 307 HZ3 LYS 40 HZ3 LYS 40 10.855 -14.964 4.815 308 H ARG 41 H ARG 41 11.660 -9.866 -0.901 309 HA ARG 41 HA ARG 41 14.199 -9.034 0.095 310 HB2 ARG 41 HB2 ARG 41 13.845 -9.769 -2.247 311 HB3 ARG 41 HB3 ARG 41 12.877 -8.329 -2.534 312 HG2 ARG 41 HG2 ARG 41 14.806 -6.919 -2.086 313 HG3 ARG 41 HG3 ARG 41 15.786 -8.349 -1.753 314 HD2 ARG 41 HD2 ARG 41 15.348 -9.124 -4.066 315 HD3 ARG 41 HD3 ARG 41 14.487 -7.617 -4.374 316 HE ARG 41 HE ARG 41 16.907 -6.780 -3.492 317 HH11 ARG 41 HH11 ARG 41 15.888 -8.969 -6.022 318 HH12 ARG 41 HH12 ARG 41 17.285 -8.672 -7.010 319 HH21 ARG 41 HH21 ARG 41 18.754 -6.398 -4.789 320 HH22 ARG 41 HH22 ARG 41 18.899 -7.222 -6.320 321 H LEU 42 H LEU 42 11.212 -7.365 -0.801 322 HA LEU 42 HA LEU 42 12.028 -4.730 -0.416 323 HB2 LEU 42 HB2 LEU 42 9.340 -5.960 0.225 324 HB3 LEU 42 HB3 LEU 42 9.654 -4.243 0.080 325 HG LEU 42 HG LEU 42 9.918 -6.251 -2.160 326 HD11 LEU 42 HD11 LEU 42 7.925 -5.186 -3.067 327 HD12 LEU 42 HD12 LEU 42 7.602 -5.908 -1.490 328 HD13 LEU 42 HD13 LEU 42 7.812 -4.162 -1.634 329 HD21 LEU 42 HD21 LEU 42 10.098 -3.241 -2.186 330 HD22 LEU 42 HD22 LEU 42 11.451 -4.355 -2.380 331 HD23 LEU 42 HD23 LEU 42 10.172 -4.302 -3.595 332 H SER 43 H SER 43 10.867 -7.121 1.895 333 HA SER 43 HA SER 43 10.751 -5.507 4.166 334 HB2 SER 43 HB2 SER 43 11.367 -8.463 3.968 335 HB3 SER 43 HB3 SER 43 10.868 -7.619 5.433 336 HG SER 43 HG SER 43 9.363 -7.926 3.036 337 H LYS 44 H LYS 44 13.490 -6.922 2.550 338 HA LYS 44 HA LYS 44 15.231 -6.614 4.841 339 HB2 LYS 44 HB2 LYS 44 15.499 -8.514 3.300 340 HB3 LYS 44 HB3 LYS 44 15.865 -7.397 1.993 341 HG2 LYS 44 HG2 LYS 44 17.881 -6.682 3.124 342 HG3 LYS 44 HG3 LYS 44 17.499 -7.718 4.503 343 HD2 LYS 44 HD2 LYS 44 17.656 -9.688 3.074 344 HD3 LYS 44 HD3 LYS 44 18.012 -8.662 1.683 345 HE2 LYS 44 HE2 LYS 44 20.062 -7.905 2.745 346 HE3 LYS 44 HE3 LYS 44 19.695 -8.870 4.176 347 HZ1 LYS 44 HZ1 LYS 44 20.106 -9.992 1.454 348 HZ2 LYS 44 HZ2 LYS 44 21.294 -9.945 2.665 349 HZ3 LYS 44 HZ3 LYS 44 19.892 -10.868 2.893 350 H VAL 45 H VAL 45 14.874 -5.084 1.635 351 HA VAL 45 HA VAL 45 16.992 -3.196 2.350 352 HB VAL 45 HB VAL 45 17.188 -4.240 0.191 353 HG11 VAL 45 HG11 VAL 45 15.642 -3.883 -1.635 354 HG12 VAL 45 HG12 VAL 45 14.854 -4.705 -0.288 355 HG13 VAL 45 HG13 VAL 45 14.570 -2.985 -0.561 356 HG21 VAL 45 HG21 VAL 45 17.409 -2.244 -1.233 357 HG22 VAL 45 HG22 VAL 45 16.507 -1.322 -0.031 358 HG23 VAL 45 HG23 VAL 45 18.077 -2.012 0.382 359 H VAL 46 H VAL 46 13.707 -3.095 1.066 360 HA VAL 46 HA VAL 46 13.440 -0.277 1.189 361 HB VAL 46 HB VAL 46 11.266 -2.377 1.108 362 HG11 VAL 46 HG11 VAL 46 11.178 0.558 0.414 363 HG12 VAL 46 HG12 VAL 46 9.865 -0.595 0.174 364 HG13 VAL 46 HG13 VAL 46 10.410 -0.204 1.806 365 HG21 VAL 46 HG21 VAL 46 11.270 -1.957 -1.318 366 HG22 VAL 46 HG22 VAL 46 12.660 -0.891 -1.116 367 HG23 VAL 46 HG23 VAL 46 12.807 -2.609 -0.749 368 H PHE 47 H PHE 47 12.433 -2.879 3.355 369 HA PHE 47 HA PHE 47 11.216 -1.061 5.239 370 HB2 PHE 47 HB2 PHE 47 11.745 -4.031 5.284 371 HB3 PHE 47 HB3 PHE 47 11.059 -3.178 6.659 372 HD1 PHE 47 HD1 PHE 47 10.428 -3.090 2.973 373 HD2 PHE 47 HD2 PHE 47 8.838 -3.621 6.882 374 HE1 PHE 47 HE1 PHE 47 8.181 -3.364 2.013 375 HE2 PHE 47 HE2 PHE 47 6.587 -3.900 5.931 376 HZ PHE 47 HZ PHE 47 6.256 -3.772 3.493 377 H LYS 48 H LYS 48 14.079 -0.749 4.609 378 HA LYS 48 HA LYS 48 15.029 -0.742 7.388 379 HB2 LYS 48 HB2 LYS 48 16.135 -2.579 6.127 380 HB3 LYS 48 HB3 LYS 48 16.749 -1.392 4.986 381 HG2 LYS 48 HG2 LYS 48 17.904 -0.277 6.915 382 HG3 LYS 48 HG3 LYS 48 17.442 -1.666 7.900 383 HD2 LYS 48 HD2 LYS 48 19.675 -2.026 7.125 384 HD3 LYS 48 HD3 LYS 48 18.613 -3.128 6.249 385 HE2 LYS 48 HE2 LYS 48 20.225 -2.133 4.733 386 HE3 LYS 48 HE3 LYS 48 18.597 -1.584 4.342 387 HZ1 LYS 48 HZ1 LYS 48 20.512 -0.020 5.990 388 HZ2 LYS 48 HZ2 LYS 48 20.319 0.189 4.319 389 HZ3 LYS 48 HZ3 LYS 48 19.028 0.506 5.365 390 H ASP 49 H ASP 49 14.896 0.748 4.245 391 HA ASP 49 HA ASP 49 16.837 2.772 4.747 392 HB2 ASP 49 HB2 ASP 49 16.254 2.015 2.469 393 HB3 ASP 49 HB3 ASP 49 14.644 2.704 2.668 394 H SER 50 H SER 50 16.636 4.721 5.632 395 HA SER 50 HA SER 50 14.335 5.304 7.194 396 HB2 SER 50 HB2 SER 50 16.691 7.096 6.561 397 HB3 SER 50 HB3 SER 50 15.567 7.272 7.909 398 HG SER 50 HG SER 50 17.436 5.174 7.463 399 H LEU 51 H LEU 51 15.619 6.583 4.155 400 HA LEU 51 HA LEU 51 13.953 8.847 3.966 401 HB2 LEU 51 HB2 LEU 51 15.519 7.238 1.992 402 HB3 LEU 51 HB3 LEU 51 14.391 8.441 1.409 403 HG LEU 51 HG LEU 51 16.625 9.360 1.466 404 HD11 LEU 51 HD11 LEU 51 14.894 10.494 3.654 405 HD12 LEU 51 HD12 LEU 51 16.233 11.331 2.865 406 HD13 LEU 51 HD13 LEU 51 14.801 10.882 1.935 407 HD21 LEU 51 HD21 LEU 51 17.856 9.637 3.558 408 HD22 LEU 51 HD22 LEU 51 16.609 8.731 4.413 409 HD23 LEU 51 HD23 LEU 51 17.593 7.934 3.186 410 H VAL 52 H VAL 52 13.661 5.626 2.507 411 HA VAL 52 HA VAL 52 11.166 6.006 1.286 412 HB VAL 52 HB VAL 52 12.360 3.443 2.368 413 HG11 VAL 52 HG11 VAL 52 10.161 3.845 0.344 414 HG12 VAL 52 HG12 VAL 52 10.873 2.298 0.804 415 HG13 VAL 52 HG13 VAL 52 9.956 3.234 1.985 416 HG21 VAL 52 HG21 VAL 52 13.115 3.079 0.073 417 HG22 VAL 52 HG22 VAL 52 12.438 4.635 -0.403 418 HG23 VAL 52 HG23 VAL 52 13.788 4.571 0.727 419 H ALA 53 H ALA 53 11.988 4.776 4.504 420 HA ALA 53 HA ALA 53 9.410 4.044 5.314 421 HB1 ALA 53 HB1 ALA 53 10.287 4.107 7.586 422 HB2 ALA 53 HB2 ALA 53 11.442 3.351 6.486 423 HB3 ALA 53 HB3 ALA 53 11.695 5.011 7.025 424 H ASP 54 H ASP 54 11.196 7.065 5.870 425 HA ASP 54 HA ASP 54 9.184 8.297 7.411 426 HB2 ASP 54 HB2 ASP 54 11.569 8.999 7.377 427 HB3 ASP 54 HB3 ASP 54 11.335 9.628 5.750 428 H TYR 55 H TYR 55 9.875 8.317 3.949 429 HA TYR 55 HA TYR 55 8.042 10.310 3.200 430 HB2 TYR 55 HB2 TYR 55 9.777 9.498 1.682 431 HB3 TYR 55 HB3 TYR 55 9.018 7.911 1.639 432 HD1 TYR 55 HD1 TYR 55 8.345 11.491 0.837 433 HD2 TYR 55 HD2 TYR 55 7.465 7.418 -0.025 434 HE1 TYR 55 HE1 TYR 55 6.992 12.197 -1.090 435 HE2 TYR 55 HE2 TYR 55 6.110 8.114 -1.958 436 HH TYR 55 HH TYR 55 4.886 10.072 -2.740 437 H PHE 56 H PHE 56 7.675 6.757 3.055 438 HA PHE 56 HA PHE 56 4.994 6.823 2.229 439 HB2 PHE 56 HB2 PHE 56 6.747 4.720 3.436 440 HB3 PHE 56 HB3 PHE 56 5.026 4.413 3.249 441 HD1 PHE 56 HD1 PHE 56 8.132 5.212 1.411 442 HD2 PHE 56 HD2 PHE 56 4.101 3.872 1.154 443 HE1 PHE 56 HE1 PHE 56 8.497 4.561 -0.932 444 HE2 PHE 56 HE2 PHE 56 4.462 3.220 -1.189 445 HZ PHE 56 HZ PHE 56 6.664 3.564 -2.235 446 H ASN 57 H ASN 57 6.405 6.540 5.471 447 HA ASN 57 HA ASN 57 3.924 5.934 6.727 448 HB2 ASN 57 HB2 ASN 57 6.080 5.244 7.672 449 HB3 ASN 57 HB3 ASN 57 6.501 6.931 7.948 450 HD21 ASN 57 HD21 ASN 57 6.727 6.640 10.143 451 HD22 ASN 57 HD22 ASN 57 5.367 6.394 11.192 452 H ARG 58 H ARG 58 5.837 8.934 6.523 453 HA ARG 58 HA ARG 58 4.073 10.255 8.377 454 HB2 ARG 58 HB2 ARG 58 6.370 11.318 6.743 455 HB3 ARG 58 HB3 ARG 58 5.525 12.220 7.987 456 HG2 ARG 58 HG2 ARG 58 7.017 9.648 8.429 457 HG3 ARG 58 HG3 ARG 58 7.670 11.260 8.732 458 HD2 ARG 58 HD2 ARG 58 5.160 10.207 10.014 459 HD3 ARG 58 HD3 ARG 58 6.760 10.069 10.728 460 HE ARG 58 HE ARG 58 6.623 12.692 10.275 461 HH11 ARG 58 HH11 ARG 58 4.270 10.521 11.686 462 HH12 ARG 58 HH12 ARG 58 3.653 11.704 12.805 463 HH21 ARG 58 HH21 ARG 58 5.810 14.267 11.700 464 HH22 ARG 58 HH22 ARG 58 4.517 13.860 12.790 465 H HIS 59 H HIS 59 4.239 9.961 4.928 466 HA HIS 59 HA HIS 59 2.671 12.403 4.589 467 HB2 HIS 59 HB2 HIS 59 3.969 10.599 2.544 468 HB3 HIS 59 HB3 HIS 59 3.023 12.030 2.149 469 HD1 HIS 59 HD1 HIS 59 4.206 14.253 2.213 470 HD2 HIS 59 HD2 HIS 59 6.426 11.193 3.956 471 HE1 HIS 59 HE1 HIS 59 6.497 15.215 2.623 472 HE2 HIS 59 HE2 HIS 59 7.847 13.324 3.614 473 H PHE 60 H PHE 60 2.215 8.951 4.563 474 HA PHE 60 HA PHE 60 -0.612 9.377 3.925 475 HB2 PHE 60 HB2 PHE 60 1.093 7.305 2.519 476 HB3 PHE 60 HB3 PHE 60 -0.653 7.456 2.373 477 HD1 PHE 60 HD1 PHE 60 -1.582 9.597 1.385 478 HD2 PHE 60 HD2 PHE 60 2.521 8.510 1.137 479 HE1 PHE 60 HE1 PHE 60 -1.290 11.150 -0.498 480 HE2 PHE 60 HE2 PHE 60 2.824 10.065 -0.747 481 HZ PHE 60 HZ PHE 60 0.916 11.386 -1.567 482 H VAL 61 H VAL 61 -1.970 7.472 4.470 483 HA VAL 61 HA VAL 61 -1.080 6.217 6.907 484 HB VAL 61 HB VAL 61 -3.610 5.751 5.314 485 HG11 VAL 61 HG11 VAL 61 -3.070 3.830 6.702 486 HG12 VAL 61 HG12 VAL 61 -2.873 4.879 8.107 487 HG13 VAL 61 HG13 VAL 61 -4.461 4.695 7.359 488 HG21 VAL 61 HG21 VAL 61 -3.515 8.013 6.146 489 HG22 VAL 61 HG22 VAL 61 -4.672 7.086 7.105 490 HG23 VAL 61 HG23 VAL 61 -3.069 7.438 7.753 491 H ASN 62 H ASN 62 0.137 4.453 6.977 492 HA ASN 62 HA ASN 62 0.296 2.700 4.652 493 HB2 ASN 62 HB2 ASN 62 1.820 2.736 7.266 494 HB3 ASN 62 HB3 ASN 62 2.069 1.533 6.009 495 HD21 ASN 62 HD21 ASN 62 1.392 4.898 5.365 496 HD22 ASN 62 HD22 ASN 62 2.956 5.296 4.743 497 H LEU 63 H LEU 63 -1.590 1.531 4.589 498 HA LEU 63 HA LEU 63 -2.407 0.114 7.018 499 HB2 LEU 63 HB2 LEU 63 -4.110 1.373 5.754 500 HB3 LEU 63 HB3 LEU 63 -3.796 0.375 4.349 501 HG LEU 63 HG LEU 63 -4.567 -1.611 5.629 502 HD11 LEU 63 HD11 LEU 63 -4.097 -0.795 7.875 503 HD12 LEU 63 HD12 LEU 63 -5.349 0.437 7.697 504 HD13 LEU 63 HD13 LEU 63 -5.788 -1.272 7.710 505 HD21 LEU 63 HD21 LEU 63 -6.536 0.662 5.468 506 HD22 LEU 63 HD22 LEU 63 -6.085 -0.413 4.143 507 HD23 LEU 63 HD23 LEU 63 -6.938 -1.054 5.548 508 H LYS 64 H LYS 64 -1.948 -1.939 7.311 509 HA LYS 64 HA LYS 64 -0.861 -3.490 5.067 510 HB2 LYS 64 HB2 LYS 64 0.381 -3.194 7.297 511 HB3 LYS 64 HB3 LYS 64 -0.834 -4.263 7.983 512 HG2 LYS 64 HG2 LYS 64 1.109 -5.543 7.457 513 HG3 LYS 64 HG3 LYS 64 -0.177 -5.991 6.337 514 HD2 LYS 64 HD2 LYS 64 0.799 -4.634 4.600 515 HD3 LYS 64 HD3 LYS 64 2.012 -4.008 5.717 516 HE2 LYS 64 HE2 LYS 64 2.933 -6.264 5.970 517 HE3 LYS 64 HE3 LYS 64 1.724 -6.883 4.847 518 HZ1 LYS 64 HZ1 LYS 64 3.822 -4.884 4.197 519 HZ2 LYS 64 HZ2 LYS 64 3.836 -6.514 3.749 520 HZ3 LYS 64 HZ3 LYS 64 2.660 -5.470 3.114 521 H MET 65 H MET 65 -2.136 -4.964 4.120 522 HA MET 65 HA MET 65 -4.287 -6.154 5.732 523 HB2 MET 65 HB2 MET 65 -4.536 -4.664 3.179 524 HB3 MET 65 HB3 MET 65 -5.537 -6.096 3.376 525 HG2 MET 65 HG2 MET 65 -6.450 -5.163 5.447 526 HG3 MET 65 HG3 MET 65 -5.458 -3.722 5.226 527 HE1 MET 65 HE1 MET 65 -7.960 -2.556 5.627 528 HE2 MET 65 HE2 MET 65 -9.289 -2.769 4.485 529 HE3 MET 65 HE3 MET 65 -8.787 -4.111 5.514 530 H ASP 66 H ASP 66 -5.097 -8.140 4.982 531 HA ASP 66 HA ASP 66 -3.159 -9.703 3.441 532 HB2 ASP 66 HB2 ASP 66 -5.314 -10.434 5.423 533 HB3 ASP 66 HB3 ASP 66 -4.573 -11.636 4.379 534 H MET 67 H MET 67 -4.017 -11.212 1.826 535 HA MET 67 HA MET 67 -6.058 -9.915 0.254 536 HB2 MET 67 HB2 MET 67 -4.578 -12.501 -0.269 537 HB3 MET 67 HB3 MET 67 -5.611 -11.663 -1.420 538 HG2 MET 67 HG2 MET 67 -4.054 -9.679 -1.138 539 HG3 MET 67 HG3 MET 67 -2.962 -10.792 -0.320 540 HE1 MET 67 HE1 MET 67 -4.185 -10.980 -4.755 541 HE2 MET 67 HE2 MET 67 -5.347 -11.198 -3.446 542 HE3 MET 67 HE3 MET 67 -4.544 -9.642 -3.661 543 H GLU 68 H GLU 68 -5.921 -12.414 2.553 544 HA GLU 68 HA GLU 68 -8.772 -12.847 2.260 545 HB2 GLU 68 HB2 GLU 68 -6.724 -15.073 2.379 546 HB3 GLU 68 HB3 GLU 68 -8.442 -15.311 2.680 547 HG2 GLU 68 HG2 GLU 68 -8.925 -14.450 0.420 548 HG3 GLU 68 HG3 GLU 68 -7.194 -14.321 0.126 549 H LYS 69 H LYS 69 -9.774 -12.966 4.137 550 HA LYS 69 HA LYS 69 -10.223 -12.700 6.331 551 HB2 LYS 69 HB2 LYS 69 -7.356 -13.560 6.725 552 HB3 LYS 69 HB3 LYS 69 -8.433 -13.136 8.042 553 HG2 LYS 69 HG2 LYS 69 -9.958 -14.934 7.359 554 HG3 LYS 69 HG3 LYS 69 -8.831 -15.377 6.079 555 HD2 LYS 69 HD2 LYS 69 -7.994 -15.282 8.963 556 HD3 LYS 69 HD3 LYS 69 -8.749 -16.713 8.263 557 HE2 LYS 69 HE2 LYS 69 -6.425 -17.076 8.126 558 HE3 LYS 69 HE3 LYS 69 -6.942 -16.652 6.499 559 HZ1 LYS 69 HZ1 LYS 69 -5.569 -14.872 8.445 560 HZ2 LYS 69 HZ2 LYS 69 -4.915 -15.519 7.018 561 HZ3 LYS 69 HZ3 LYS 69 -6.159 -14.370 6.939 562 H GLY 70 H GLY 70 -10.693 -10.702 6.795 563 HA2 GLY 70 HA2 GLY 70 -10.092 -8.611 7.804 564 HA3 GLY 70 HA3 GLY 70 -8.507 -8.749 7.053 565 H GLU 71 H GLU 71 -11.737 -9.154 5.674 566 HA GLU 71 HA GLU 71 -12.902 -8.071 4.066 567 HB2 GLU 71 HB2 GLU 71 -11.058 -5.745 4.634 568 HB3 GLU 71 HB3 GLU 71 -12.571 -5.665 3.740 569 HG2 GLU 71 HG2 GLU 71 -13.776 -6.395 5.757 570 HG3 GLU 71 HG3 GLU 71 -12.253 -6.396 6.645 571 H GLY 72 H GLY 72 -10.148 -9.386 3.605 572 HA2 GLY 72 HA2 GLY 72 -9.048 -8.105 1.305 573 HA3 GLY 72 HA3 GLY 72 -8.650 -9.713 1.885 574 H VAL 73 H VAL 73 -11.323 -10.742 1.797 575 HA VAL 73 HA VAL 73 -11.403 -11.704 -0.839 576 HB VAL 73 HB VAL 73 -12.386 -12.940 1.021 577 HG11 VAL 73 HG11 VAL 73 -14.497 -10.789 1.066 578 HG12 VAL 73 HG12 VAL 73 -14.575 -12.314 1.950 579 HG13 VAL 73 HG13 VAL 73 -13.317 -11.138 2.330 580 HG21 VAL 73 HG21 VAL 73 -14.466 -13.657 -0.065 581 HG22 VAL 73 HG22 VAL 73 -14.396 -12.236 -1.108 582 HG23 VAL 73 HG23 VAL 73 -13.140 -13.471 -1.215 583 H GLU 74 H GLU 74 -13.095 -9.029 0.701 584 HA GLU 74 HA GLU 74 -14.879 -8.481 -1.430 585 HB2 GLU 74 HB2 GLU 74 -14.586 -7.536 1.117 586 HB3 GLU 74 HB3 GLU 74 -13.955 -6.186 0.186 587 HG2 GLU 74 HG2 GLU 74 -16.670 -7.437 -0.174 588 HG3 GLU 74 HG3 GLU 74 -16.338 -5.950 0.706 589 H LEU 75 H LEU 75 -11.745 -7.117 -0.480 590 HA LEU 75 HA LEU 75 -11.493 -5.273 -2.565 591 HB2 LEU 75 HB2 LEU 75 -9.330 -6.732 -1.049 592 HB3 LEU 75 HB3 LEU 75 -9.077 -5.314 -2.051 593 HG LEU 75 HG LEU 75 -10.741 -5.409 0.469 594 HD11 LEU 75 HD11 LEU 75 -8.966 -3.999 1.401 595 HD12 LEU 75 HD12 LEU 75 -8.361 -5.585 0.927 596 HD13 LEU 75 HD13 LEU 75 -8.044 -4.180 -0.091 597 HD21 LEU 75 HD21 LEU 75 -10.844 -2.970 0.212 598 HD22 LEU 75 HD22 LEU 75 -10.023 -3.108 -1.342 599 HD23 LEU 75 HD23 LEU 75 -11.627 -3.807 -1.129 600 H ARG 76 H ARG 76 -10.587 -8.691 -2.401 601 HA ARG 76 HA ARG 76 -9.122 -8.812 -4.791 602 HB2 ARG 76 HB2 ARG 76 -9.046 -10.658 -3.225 603 HB3 ARG 76 HB3 ARG 76 -10.769 -10.951 -3.433 604 HG2 ARG 76 HG2 ARG 76 -10.332 -11.480 -5.821 605 HG3 ARG 76 HG3 ARG 76 -8.606 -11.327 -5.496 606 HD2 ARG 76 HD2 ARG 76 -10.332 -13.186 -3.913 607 HD3 ARG 76 HD3 ARG 76 -9.668 -13.668 -5.468 608 HE ARG 76 HE ARG 76 -7.470 -12.853 -4.191 609 HH11 ARG 76 HH11 ARG 76 -10.096 -14.905 -3.137 610 HH12 ARG 76 HH12 ARG 76 -9.092 -15.913 -2.145 611 HH21 ARG 76 HH21 ARG 76 -6.125 -14.176 -2.892 612 HH22 ARG 76 HH22 ARG 76 -6.834 -15.474 -1.968 613 H LYS 77 H LYS 77 -12.570 -9.432 -4.191 614 HA LYS 77 HA LYS 77 -13.164 -9.976 -6.936 615 HB2 LYS 77 HB2 LYS 77 -14.463 -10.740 -4.869 616 HB3 LYS 77 HB3 LYS 77 -15.123 -9.112 -4.806 617 HG2 LYS 77 HG2 LYS 77 -16.728 -10.437 -5.905 618 HG3 LYS 77 HG3 LYS 77 -15.940 -9.480 -7.163 619 HD2 LYS 77 HD2 LYS 77 -16.200 -11.771 -7.913 620 HD3 LYS 77 HD3 LYS 77 -14.489 -11.408 -7.682 621 HE2 LYS 77 HE2 LYS 77 -14.987 -13.601 -6.797 622 HE3 LYS 77 HE3 LYS 77 -14.574 -12.506 -5.481 623 HZ1 LYS 77 HZ1 LYS 77 -17.132 -12.185 -5.362 624 HZ2 LYS 77 HZ2 LYS 77 -17.185 -13.672 -6.179 625 HZ3 LYS 77 HZ3 LYS 77 -16.424 -13.559 -4.673 626 H LYS 78 H LYS 78 -12.973 -7.186 -4.949 627 HA LYS 78 HA LYS 78 -14.696 -5.431 -6.314 628 HB2 LYS 78 HB2 LYS 78 -13.550 -5.330 -3.963 629 HB3 LYS 78 HB3 LYS 78 -12.264 -4.511 -4.830 630 HG2 LYS 78 HG2 LYS 78 -13.802 -2.776 -5.527 631 HG3 LYS 78 HG3 LYS 78 -15.135 -3.619 -4.730 632 HD2 LYS 78 HD2 LYS 78 -13.709 -3.479 -2.609 633 HD3 LYS 78 HD3 LYS 78 -12.745 -2.290 -3.486 634 HE2 LYS 78 HE2 LYS 78 -14.389 -1.157 -2.133 635 HE3 LYS 78 HE3 LYS 78 -14.785 -0.946 -3.837 636 HZ1 LYS 78 HZ1 LYS 78 -16.507 -2.540 -3.677 637 HZ2 LYS 78 HZ2 LYS 78 -16.022 -3.036 -2.128 638 HZ3 LYS 78 HZ3 LYS 78 -16.699 -1.493 -2.355 639 H TYR 79 H TYR 79 -11.163 -5.891 -6.519 640 HA TYR 79 HA TYR 79 -11.131 -3.956 -8.734 641 HB2 TYR 79 HB2 TYR 79 -8.799 -4.934 -7.078 642 HB3 TYR 79 HB3 TYR 79 -8.774 -3.634 -8.266 643 HD1 TYR 79 HD1 TYR 79 -11.134 -2.072 -7.650 644 HD2 TYR 79 HD2 TYR 79 -8.417 -3.982 -4.991 645 HE1 TYR 79 HE1 TYR 79 -11.725 -0.459 -5.895 646 HE2 TYR 79 HE2 TYR 79 -9.010 -2.377 -3.226 647 HH TYR 79 HH TYR 79 -9.940 -0.094 -3.047 648 H GLY 80 H GLY 80 -10.423 -7.263 -7.928 649 HA2 GLY 80 HA2 GLY 80 -10.028 -9.067 -9.301 650 HA3 GLY 80 HA3 GLY 80 -10.286 -8.007 -10.676 651 H VAL 81 H VAL 81 -7.875 -8.046 -8.067 652 HA VAL 81 HA VAL 81 -5.754 -7.440 -9.900 653 HB VAL 81 HB VAL 81 -4.296 -7.643 -7.915 654 HG11 VAL 81 HG11 VAL 81 -5.357 -5.517 -8.415 655 HG12 VAL 81 HG12 VAL 81 -6.781 -5.994 -7.492 656 HG13 VAL 81 HG13 VAL 81 -5.240 -5.753 -6.671 657 HG21 VAL 81 HG21 VAL 81 -5.445 -9.422 -6.730 658 HG22 VAL 81 HG22 VAL 81 -5.308 -7.997 -5.699 659 HG23 VAL 81 HG23 VAL 81 -6.845 -8.377 -6.481 660 H HIS 82 H HIS 82 -3.818 -8.781 -10.175 661 HA HIS 82 HA HIS 82 -4.199 -11.641 -9.712 662 HB2 HIS 82 HB2 HIS 82 -3.856 -10.387 -12.434 663 HB3 HIS 82 HB3 HIS 82 -3.482 -12.078 -12.123 664 HD1 HIS 82 HD1 HIS 82 -6.151 -9.963 -13.221 665 HD2 HIS 82 HD2 HIS 82 -5.898 -13.477 -11.007 666 HE1 HIS 82 HE1 HIS 82 -8.451 -10.982 -13.295 667 HE2 HIS 82 HE2 HIS 82 -8.223 -13.194 -12.105 668 H ALA 83 H ALA 83 -2.327 -9.359 -8.913 669 HA ALA 83 HA ALA 83 0.215 -10.584 -9.769 670 HB1 ALA 83 HB1 ALA 83 1.267 -8.474 -9.103 671 HB2 ALA 83 HB2 ALA 83 -0.003 -8.199 -10.295 672 HB3 ALA 83 HB3 ALA 83 -0.300 -7.847 -8.594 673 H TYR 84 H TYR 84 1.947 -10.077 -7.858 674 HA TYR 84 HA TYR 84 0.818 -11.395 -5.505 675 HB2 TYR 84 HB2 TYR 84 3.701 -10.784 -6.173 676 HB3 TYR 84 HB3 TYR 84 3.153 -11.670 -4.756 677 HD1 TYR 84 HD1 TYR 84 2.119 -13.925 -5.034 678 HD2 TYR 84 HD2 TYR 84 3.875 -11.840 -8.302 679 HE1 TYR 84 HE1 TYR 84 2.210 -16.020 -6.314 680 HE2 TYR 84 HE2 TYR 84 3.974 -13.932 -9.589 681 HH TYR 84 HH TYR 84 4.013 -16.352 -9.174 682 HA PRO 85 HA PRO 85 2.068 -7.347 -3.532 683 HB2 PRO 85 HB2 PRO 85 4.011 -5.773 -4.622 684 HB3 PRO 85 HB3 PRO 85 4.348 -7.171 -3.600 685 HG2 PRO 85 HG2 PRO 85 4.866 -6.835 -6.428 686 HG3 PRO 85 HG3 PRO 85 5.343 -8.172 -5.369 687 HD2 PRO 85 HD2 PRO 85 3.063 -7.970 -7.222 688 HD3 PRO 85 HD3 PRO 85 3.824 -9.413 -6.522 689 H THR 86 H THR 86 0.403 -5.942 -3.648 690 HA THR 86 HA THR 86 0.104 -4.310 -6.087 691 HB THR 86 HB THR 86 -2.202 -5.407 -4.471 692 HG1 THR 86 HG1 THR 86 -1.460 -7.202 -5.428 693 HG21 THR 86 HG21 THR 86 -2.674 -3.366 -5.757 694 HG22 THR 86 HG22 THR 86 -2.085 -4.155 -7.221 695 HG23 THR 86 HG23 THR 86 -3.535 -4.758 -6.417 696 H LEU 87 H LEU 87 -0.398 -2.178 -5.778 697 HA LEU 87 HA LEU 87 -0.599 -1.290 -2.980 698 HB2 LEU 87 HB2 LEU 87 0.290 0.296 -5.392 699 HB3 LEU 87 HB3 LEU 87 0.263 0.862 -3.732 700 HG LEU 87 HG LEU 87 2.042 -1.307 -4.848 701 HD11 LEU 87 HD11 LEU 87 2.663 1.455 -3.815 702 HD12 LEU 87 HD12 LEU 87 3.840 0.262 -4.363 703 HD13 LEU 87 HD13 LEU 87 2.686 0.950 -5.504 704 HD21 LEU 87 HD21 LEU 87 1.410 -1.837 -2.561 705 HD22 LEU 87 HD22 LEU 87 3.095 -1.312 -2.628 706 HD23 LEU 87 HD23 LEU 87 1.847 -0.210 -2.044 707 H LEU 88 H LEU 88 -2.583 -0.799 -2.407 708 HA LEU 88 HA LEU 88 -4.502 0.025 -4.468 709 HB2 LEU 88 HB2 LEU 88 -4.969 -0.892 -1.626 710 HB3 LEU 88 HB3 LEU 88 -6.222 -0.511 -2.792 711 HG LEU 88 HG LEU 88 -4.231 -2.773 -3.026 712 HD11 LEU 88 HD11 LEU 88 -5.897 -3.183 -1.305 713 HD12 LEU 88 HD12 LEU 88 -7.188 -2.786 -2.439 714 HD13 LEU 88 HD13 LEU 88 -6.186 -4.213 -2.707 715 HD21 LEU 88 HD21 LEU 88 -6.558 -2.035 -4.798 716 HD22 LEU 88 HD22 LEU 88 -4.853 -1.850 -5.206 717 HD23 LEU 88 HD23 LEU 88 -5.533 -3.461 -4.970 718 H PHE 89 H PHE 89 -5.000 2.085 -4.663 719 HA PHE 89 HA PHE 89 -4.468 3.891 -2.401 720 HB2 PHE 89 HB2 PHE 89 -4.584 4.517 -5.360 721 HB3 PHE 89 HB3 PHE 89 -4.254 5.677 -4.080 722 HD1 PHE 89 HD1 PHE 89 -2.131 5.613 -2.868 723 HD2 PHE 89 HD2 PHE 89 -2.913 3.004 -6.137 724 HE1 PHE 89 HE1 PHE 89 0.274 5.133 -3.053 725 HE2 PHE 89 HE2 PHE 89 -0.508 2.522 -6.331 726 HZ PHE 89 HZ PHE 89 1.088 3.586 -4.789 727 H ILE 90 H ILE 90 -6.149 4.879 -1.493 728 HA ILE 90 HA ILE 90 -8.599 5.252 -3.076 729 HB ILE 90 HB ILE 90 -8.441 4.224 -0.236 730 HG12 ILE 90 HG12 ILE 90 -9.671 3.069 -2.751 731 HG13 ILE 90 HG13 ILE 90 -8.180 2.524 -1.993 732 HG21 ILE 90 HG21 ILE 90 -10.872 5.122 -1.783 733 HG22 ILE 90 HG22 ILE 90 -10.900 4.292 -0.227 734 HG23 ILE 90 HG23 ILE 90 -10.192 5.903 -0.355 735 HD11 ILE 90 HD11 ILE 90 -9.419 1.800 -0.038 736 HD12 ILE 90 HD12 ILE 90 -10.917 2.396 -0.752 737 HD13 ILE 90 HD13 ILE 90 -10.058 1.050 -1.501 738 H ASN 91 H ASN 91 -9.562 7.220 -2.836 739 HA ASN 91 HA ASN 91 -8.028 9.159 -1.278 740 HB2 ASN 91 HB2 ASN 91 -8.896 10.867 -2.674 741 HB3 ASN 91 HB3 ASN 91 -8.512 9.530 -3.740 742 HD21 ASN 91 HD21 ASN 91 -10.171 8.412 -4.759 743 HD22 ASN 91 HD22 ASN 91 -11.785 9.037 -4.825 744 H SER 92 H SER 92 -9.626 11.119 -0.641 745 HA SER 92 HA SER 92 -10.836 10.148 1.695 746 HB2 SER 92 HB2 SER 92 -11.279 12.873 0.472 747 HB3 SER 92 HB3 SER 92 -11.349 12.431 2.178 748 HG SER 92 HG SER 92 -9.309 12.925 2.235 749 H SER 93 H SER 93 -12.138 10.567 -1.479 750 HA SER 93 HA SER 93 -14.855 10.810 -0.666 751 HB2 SER 93 HB2 SER 93 -13.735 9.923 -3.325 752 HB3 SER 93 HB3 SER 93 -15.401 10.412 -3.019 753 HG SER 93 HG SER 93 -14.437 12.474 -2.289 754 H GLY 94 H GLY 94 -12.686 8.248 -0.607 755 HA2 GLY 94 HA2 GLY 94 -13.110 6.104 0.214 756 HA3 GLY 94 HA3 GLY 94 -14.832 6.386 0.005 757 H GLU 95 H GLU 95 -12.704 7.040 -2.633 758 HA GLU 95 HA GLU 95 -13.525 4.526 -3.918 759 HB2 GLU 95 HB2 GLU 95 -13.400 7.247 -5.228 760 HB3 GLU 95 HB3 GLU 95 -13.783 5.736 -6.039 761 HG2 GLU 95 HG2 GLU 95 -15.796 5.514 -4.677 762 HG3 GLU 95 HG3 GLU 95 -15.410 7.034 -3.866 763 H VAL 96 H VAL 96 -12.120 3.722 -5.518 764 HA VAL 96 HA VAL 96 -9.351 4.581 -5.234 765 HB VAL 96 HB VAL 96 -9.735 2.188 -5.091 766 HG11 VAL 96 HG11 VAL 96 -10.955 2.419 -7.836 767 HG12 VAL 96 HG12 VAL 96 -10.586 0.905 -7.016 768 HG13 VAL 96 HG13 VAL 96 -11.793 1.999 -6.343 769 HG21 VAL 96 HG21 VAL 96 -8.424 2.892 -7.714 770 HG22 VAL 96 HG22 VAL 96 -7.646 2.898 -6.131 771 HG23 VAL 96 HG23 VAL 96 -8.214 1.381 -6.829 772 H VAL 97 H VAL 97 -8.348 5.811 -6.696 773 HA VAL 97 HA VAL 97 -9.772 6.514 -9.149 774 HB VAL 97 HB VAL 97 -7.205 7.669 -8.037 775 HG11 VAL 97 HG11 VAL 97 -7.681 9.545 -9.563 776 HG12 VAL 97 HG12 VAL 97 -7.405 8.028 -10.419 777 HG13 VAL 97 HG13 VAL 97 -9.046 8.642 -10.219 778 HG21 VAL 97 HG21 VAL 97 -9.044 8.064 -6.498 779 HG22 VAL 97 HG22 VAL 97 -8.585 9.563 -7.304 780 HG23 VAL 97 HG23 VAL 97 -10.034 8.697 -7.814 781 H TYR 98 H TYR 98 -6.607 5.299 -8.104 782 HA TYR 98 HA TYR 98 -6.291 4.070 -10.748 783 HB2 TYR 98 HB2 TYR 98 -4.966 6.114 -10.778 784 HB3 TYR 98 HB3 TYR 98 -4.181 5.659 -9.272 785 HD1 TYR 98 HD1 TYR 98 -4.594 4.612 -12.816 786 HD2 TYR 98 HD2 TYR 98 -2.215 4.398 -9.295 787 HE1 TYR 98 HE1 TYR 98 -2.826 3.474 -14.087 788 HE2 TYR 98 HE2 TYR 98 -0.439 3.264 -10.559 789 HH TYR 98 HH TYR 98 -0.256 1.870 -12.639 790 H ARG 99 H ARG 99 -5.531 2.040 -10.719 791 HA ARG 99 HA ARG 99 -4.813 0.876 -8.123 792 HB2 ARG 99 HB2 ARG 99 -6.671 -0.210 -9.275 793 HB3 ARG 99 HB3 ARG 99 -5.694 -0.411 -10.721 794 HG2 ARG 99 HG2 ARG 99 -4.165 -1.871 -9.378 795 HG3 ARG 99 HG3 ARG 99 -5.345 -1.786 -8.069 796 HD2 ARG 99 HD2 ARG 99 -5.704 -3.807 -9.342 797 HD3 ARG 99 HD3 ARG 99 -7.057 -2.707 -9.593 798 HE ARG 99 HE ARG 99 -5.333 -2.181 -11.660 799 HH11 ARG 99 HH11 ARG 99 -6.975 -5.049 -10.480 800 HH12 ARG 99 HH12 ARG 99 -7.109 -5.771 -12.053 801 HH21 ARG 99 HH21 ARG 99 -5.544 -3.140 -13.740 802 HH22 ARG 99 HH22 ARG 99 -6.308 -4.697 -13.879 803 H LEU 100 H LEU 100 -2.720 0.392 -7.732 804 HA LEU 100 HA LEU 100 -0.892 0.293 -10.032 805 HB2 LEU 100 HB2 LEU 100 -0.524 1.958 -8.140 806 HB3 LEU 100 HB3 LEU 100 -0.142 0.579 -7.119 807 HG LEU 100 HG LEU 100 1.829 1.851 -8.054 808 HD11 LEU 100 HD11 LEU 100 1.665 -1.073 -8.750 809 HD12 LEU 100 HD12 LEU 100 3.144 -0.133 -8.552 810 HD13 LEU 100 HD13 LEU 100 2.079 -0.404 -7.173 811 HD21 LEU 100 HD21 LEU 100 0.892 0.579 -10.618 812 HD22 LEU 100 HD22 LEU 100 1.049 2.302 -10.275 813 HD23 LEU 100 HD23 LEU 100 2.487 1.288 -10.373 814 H VAL 101 H VAL 101 -0.665 -1.730 -10.728 815 HA VAL 101 HA VAL 101 -0.536 -3.889 -8.741 816 HB VAL 101 HB VAL 101 -0.848 -5.439 -10.676 817 HG11 VAL 101 HG11 VAL 101 -2.740 -4.835 -9.307 818 HG12 VAL 101 HG12 VAL 101 -2.984 -3.360 -10.241 819 HG13 VAL 101 HG13 VAL 101 -3.242 -4.931 -10.996 820 HG21 VAL 101 HG21 VAL 101 -1.658 -4.547 -12.797 821 HG22 VAL 101 HG22 VAL 101 -1.398 -2.905 -12.214 822 HG23 VAL 101 HG23 VAL 101 -0.023 -3.982 -12.456 823 H GLY 102 H GLY 102 1.234 -5.092 -8.477 824 HA2 GLY 102 HA2 GLY 102 3.308 -6.021 -8.960 825 HA3 GLY 102 HA3 GLY 102 3.383 -5.061 -10.420 826 H ALA 103 H ALA 103 4.760 -5.518 -7.564 827 HA ALA 103 HA ALA 103 5.468 -2.707 -7.132 828 HB1 ALA 103 HB1 ALA 103 5.991 -5.087 -5.357 829 HB2 ALA 103 HB2 ALA 103 6.338 -3.402 -4.971 830 HB3 ALA 103 HB3 ALA 103 4.669 -3.936 -5.165 831 H GLU 104 H GLU 104 7.606 -2.059 -7.078 832 HA GLU 104 HA GLU 104 9.506 -3.890 -8.389 833 HB2 GLU 104 HB2 GLU 104 9.677 -0.893 -8.569 834 HB3 GLU 104 HB3 GLU 104 10.394 -2.097 -9.627 835 HG2 GLU 104 HG2 GLU 104 7.453 -1.500 -9.450 836 HG3 GLU 104 HG3 GLU 104 8.548 -0.831 -10.655 837 H ASP 105 H ASP 105 11.836 -2.765 -8.060 838 HA ASP 105 HA ASP 105 12.497 -2.700 -5.331 839 HB2 ASP 105 HB2 ASP 105 13.968 -1.460 -7.677 840 HB3 ASP 105 HB3 ASP 105 14.648 -1.705 -6.070 841 H ALA 106 H ALA 106 13.333 -0.770 -4.139 842 HA ALA 106 HA ALA 106 11.275 0.912 -3.590 843 HB1 ALA 106 HB1 ALA 106 14.153 1.676 -3.154 844 HB2 ALA 106 HB2 ALA 106 12.747 2.238 -2.254 845 HB3 ALA 106 HB3 ALA 106 13.249 0.553 -2.146 846 HA PRO 107 HA PRO 107 13.056 4.638 -6.112 847 HB2 PRO 107 HB2 PRO 107 14.753 3.353 -8.160 848 HB3 PRO 107 HB3 PRO 107 15.053 4.802 -7.197 849 HG2 PRO 107 HG2 PRO 107 16.374 2.536 -6.709 850 HG3 PRO 107 HG3 PRO 107 15.847 3.593 -5.384 851 HD2 PRO 107 HD2 PRO 107 14.604 1.056 -6.393 852 HD3 PRO 107 HD3 PRO 107 14.882 1.583 -4.723 853 H GLU 108 H GLU 108 12.750 1.604 -7.926 854 HA GLU 108 HA GLU 108 11.539 2.795 -10.206 855 HB2 GLU 108 HB2 GLU 108 12.793 0.637 -10.210 856 HB3 GLU 108 HB3 GLU 108 11.468 -0.093 -9.316 857 HG2 GLU 108 HG2 GLU 108 11.347 -0.637 -11.673 858 HG3 GLU 108 HG3 GLU 108 9.961 0.328 -11.170 859 H LEU 109 H LEU 109 10.314 1.174 -7.309 860 HA LEU 109 HA LEU 109 7.587 1.140 -8.044 861 HB2 LEU 109 HB2 LEU 109 8.584 -0.122 -6.139 862 HB3 LEU 109 HB3 LEU 109 8.749 1.383 -5.270 863 HG LEU 109 HG LEU 109 6.323 1.674 -5.248 864 HD11 LEU 109 HD11 LEU 109 5.756 0.560 -7.326 865 HD12 LEU 109 HD12 LEU 109 6.243 -0.995 -6.650 866 HD13 LEU 109 HD13 LEU 109 4.848 -0.142 -5.987 867 HD21 LEU 109 HD21 LEU 109 7.232 -1.022 -4.254 868 HD22 LEU 109 HD22 LEU 109 7.364 0.511 -3.395 869 HD23 LEU 109 HD23 LEU 109 5.776 -0.175 -3.731 870 H LEU 110 H LEU 110 9.527 3.425 -6.185 871 HA LEU 110 HA LEU 110 7.626 5.336 -5.587 872 HB2 LEU 110 HB2 LEU 110 10.537 5.641 -6.284 873 HB3 LEU 110 HB3 LEU 110 9.550 6.994 -5.766 874 HG LEU 110 HG LEU 110 10.093 4.508 -4.139 875 HD11 LEU 110 HD11 LEU 110 11.163 7.313 -3.866 876 HD12 LEU 110 HD12 LEU 110 11.445 5.986 -2.738 877 HD13 LEU 110 HD13 LEU 110 12.078 5.897 -4.381 878 HD21 LEU 110 HD21 LEU 110 8.688 7.071 -3.394 879 HD22 LEU 110 HD22 LEU 110 7.901 5.519 -3.687 880 HD23 LEU 110 HD23 LEU 110 9.006 5.704 -2.325 881 H LYS 111 H LYS 111 9.384 4.884 -8.621 882 HA LYS 111 HA LYS 111 8.478 7.196 -9.936 883 HB2 LYS 111 HB2 LYS 111 9.143 4.501 -11.143 884 HB3 LYS 111 HB3 LYS 111 9.024 6.016 -12.024 885 HG2 LYS 111 HG2 LYS 111 11.047 5.360 -9.891 886 HG3 LYS 111 HG3 LYS 111 11.341 5.418 -11.630 887 HD2 LYS 111 HD2 LYS 111 10.789 7.798 -11.647 888 HD3 LYS 111 HD3 LYS 111 10.474 7.742 -9.911 889 HE2 LYS 111 HE2 LYS 111 12.682 8.640 -10.306 890 HE3 LYS 111 HE3 LYS 111 12.814 7.061 -9.537 891 HZ1 LYS 111 HZ1 LYS 111 14.405 7.276 -11.329 892 HZ2 LYS 111 HZ2 LYS 111 13.260 6.090 -11.724 893 HZ3 LYS 111 HZ3 LYS 111 13.170 7.627 -12.436 894 H LYS 112 H LYS 112 7.155 3.901 -9.847 895 HA LYS 112 HA LYS 112 4.964 4.383 -11.559 896 HB2 LYS 112 HB2 LYS 112 5.186 2.317 -9.362 897 HB3 LYS 112 HB3 LYS 112 4.053 2.287 -10.706 898 HG2 LYS 112 HG2 LYS 112 5.869 2.035 -12.279 899 HG3 LYS 112 HG3 LYS 112 7.048 2.160 -10.972 900 HD2 LYS 112 HD2 LYS 112 6.819 -0.146 -11.461 901 HD3 LYS 112 HD3 LYS 112 5.960 0.136 -9.947 902 HE2 LYS 112 HE2 LYS 112 3.840 0.160 -11.121 903 HE3 LYS 112 HE3 LYS 112 4.668 -0.017 -12.667 904 HZ1 LYS 112 HZ1 LYS 112 5.604 -2.156 -11.642 905 HZ2 LYS 112 HZ2 LYS 112 4.350 -2.010 -10.506 906 HZ3 LYS 112 HZ3 LYS 112 3.987 -2.158 -12.156 907 H VAL 113 H VAL 113 5.320 4.579 -8.051 908 HA VAL 113 HA VAL 113 2.577 5.032 -7.478 909 HB VAL 113 HB VAL 113 5.022 5.808 -5.870 910 HG11 VAL 113 HG11 VAL 113 2.132 5.613 -5.020 911 HG12 VAL 113 HG12 VAL 113 3.501 5.911 -3.949 912 HG13 VAL 113 HG13 VAL 113 3.069 7.100 -5.180 913 HG21 VAL 113 HG21 VAL 113 3.219 3.399 -5.682 914 HG22 VAL 113 HG22 VAL 113 4.875 3.410 -6.287 915 HG23 VAL 113 HG23 VAL 113 4.552 3.774 -4.591 916 H LYS 114 H LYS 114 5.332 7.230 -7.891 917 HA LYS 114 HA LYS 114 3.920 9.618 -7.391 918 HB2 LYS 114 HB2 LYS 114 6.390 9.392 -7.341 919 HB3 LYS 114 HB3 LYS 114 6.390 9.199 -9.088 920 HG2 LYS 114 HG2 LYS 114 7.031 11.451 -8.452 921 HG3 LYS 114 HG3 LYS 114 5.513 11.458 -9.348 922 HD2 LYS 114 HD2 LYS 114 5.407 12.986 -7.458 923 HD3 LYS 114 HD3 LYS 114 4.276 11.650 -7.244 924 HE2 LYS 114 HE2 LYS 114 5.811 10.553 -5.720 925 HE3 LYS 114 HE3 LYS 114 7.011 11.820 -5.984 926 HZ1 LYS 114 HZ1 LYS 114 5.532 13.419 -4.983 927 HZ2 LYS 114 HZ2 LYS 114 4.324 12.248 -4.789 928 HZ3 LYS 114 HZ3 LYS 114 5.768 12.126 -3.913 929 H LEU 115 H LEU 115 4.535 7.787 -10.334 930 HA LEU 115 HA LEU 115 3.317 9.728 -12.062 931 HB2 LEU 115 HB2 LEU 115 5.148 8.096 -12.671 932 HB3 LEU 115 HB3 LEU 115 3.943 6.830 -12.624 933 HG LEU 115 HG LEU 115 4.640 7.830 -14.901 934 HD11 LEU 115 HD11 LEU 115 1.737 7.535 -14.164 935 HD12 LEU 115 HD12 LEU 115 2.390 7.495 -15.800 936 HD13 LEU 115 HD13 LEU 115 2.835 6.241 -14.642 937 HD21 LEU 115 HD21 LEU 115 3.329 9.750 -15.620 938 HD22 LEU 115 HD22 LEU 115 2.672 9.924 -13.990 939 HD23 LEU 115 HD23 LEU 115 4.396 10.174 -14.280 940 H GLY 116 H GLY 116 2.217 7.121 -10.109 941 HA2 GLY 116 HA2 GLY 116 -0.212 6.675 -11.628 942 HA3 GLY 116 HA3 GLY 116 0.254 5.872 -10.143 943 H VAL 117 H VAL 117 0.678 8.242 -8.583 944 HA VAL 117 HA VAL 117 -2.089 8.746 -7.912 945 HB VAL 117 HB VAL 117 0.401 9.836 -6.590 946 HG11 VAL 117 HG11 VAL 117 -1.603 11.142 -6.100 947 HG12 VAL 117 HG12 VAL 117 -2.449 9.673 -5.611 948 HG13 VAL 117 HG13 VAL 117 -1.068 10.249 -4.677 949 HG21 VAL 117 HG21 VAL 117 0.362 7.400 -6.533 950 HG22 VAL 117 HG22 VAL 117 0.064 8.070 -4.927 951 HG23 VAL 117 HG23 VAL 117 -1.277 7.432 -5.881 952 H GLU 118 H GLU 118 0.705 10.721 -8.909 953 HA GLU 118 HA GLU 118 -0.875 13.113 -9.042 954 HB2 GLU 118 HB2 GLU 118 1.951 12.403 -9.606 955 HB3 GLU 118 HB3 GLU 118 1.300 13.819 -10.419 956 HG2 GLU 118 HG2 GLU 118 2.363 14.520 -8.411 957 HG3 GLU 118 HG3 GLU 118 0.629 14.719 -8.213 958 H SER 119 H SER 119 -1.627 14.175 -10.851 959 HA SER 119 HA SER 119 -2.626 12.490 -12.891 960 HB2 SER 119 HB2 SER 119 -3.757 14.554 -12.008 961 HB3 SER 119 HB3 SER 119 -2.560 15.519 -12.866 962 HG SER 119 HG SER 119 -3.798 15.339 -14.542 963 H GLU 120 H GLU 120 -0.075 14.947 -12.831 964 HA GLU 120 HA GLU 120 0.995 13.759 -15.300 965 HB2 GLU 120 HB2 GLU 120 0.768 16.708 -14.678 966 HB3 GLU 120 HB3 GLU 120 1.686 16.046 -16.022 967 HG2 GLU 120 HG2 GLU 120 -0.287 15.219 -17.065 968 HG3 GLU 120 HG3 GLU 120 -1.262 15.595 -15.644 969 H GLY 121 H GLY 121 1.965 16.347 -13.048 970 HA2 GLY 121 HA2 GLY 121 3.973 14.972 -11.707 971 HA3 GLY 121 HA3 GLY 121 4.702 15.659 -13.154 Start of MODEL 3 1 H ALA 1 H ALA 1 12.866 10.490 13.281 2 HA ALA 1 HA ALA 1 14.672 10.397 10.935 3 HB1 ALA 1 HB1 ALA 1 16.473 10.556 12.590 4 HB2 ALA 1 HB2 ALA 1 15.433 11.979 12.612 5 HB3 ALA 1 HB3 ALA 1 15.275 10.751 13.869 6 H GLN 2 H GLN 2 13.850 8.864 14.067 7 HA GLN 2 HA GLN 2 15.052 6.374 13.162 8 HB2 GLN 2 HB2 GLN 2 15.286 7.183 15.534 9 HB3 GLN 2 HB3 GLN 2 13.562 6.906 15.741 10 HG2 GLN 2 HG2 GLN 2 14.779 5.046 16.640 11 HG3 GLN 2 HG3 GLN 2 13.903 4.529 15.200 12 HE21 GLN 2 HE21 GLN 2 15.237 2.801 14.764 13 HE22 GLN 2 HE22 GLN 2 16.876 2.995 14.221 14 H ALA 3 H ALA 3 13.937 5.020 11.946 15 HA ALA 3 HA ALA 3 11.023 4.841 12.360 16 HB1 ALA 3 HB1 ALA 3 11.470 6.080 10.312 17 HB2 ALA 3 HB2 ALA 3 12.480 4.761 9.719 18 HB3 ALA 3 HB3 ALA 3 10.749 4.512 9.947 19 H ASP 4 H ASP 4 13.995 3.224 11.398 20 HA ASP 4 HA ASP 4 14.616 1.047 11.258 21 HB2 ASP 4 HB2 ASP 4 12.302 0.807 13.160 22 HB3 ASP 4 HB3 ASP 4 13.111 -0.637 12.560 23 H GLY 5 H GLY 5 12.550 2.309 9.472 24 HA2 GLY 5 HA2 GLY 5 12.139 1.084 7.348 25 HA3 GLY 5 HA3 GLY 5 11.433 -0.176 8.350 26 H ILE 6 H ILE 6 9.616 0.257 6.812 27 HA ILE 6 HA ILE 6 8.142 2.708 7.290 28 HB ILE 6 HB ILE 6 7.301 0.314 5.644 29 HG12 ILE 6 HG12 ILE 6 8.659 2.873 4.761 30 HG13 ILE 6 HG13 ILE 6 9.420 1.287 4.822 31 HG21 ILE 6 HG21 ILE 6 5.470 1.799 6.328 32 HG22 ILE 6 HG22 ILE 6 6.335 3.174 5.641 33 HG23 ILE 6 HG23 ILE 6 5.757 1.882 4.590 34 HD11 ILE 6 HD11 ILE 6 8.768 1.902 2.556 35 HD12 ILE 6 HD12 ILE 6 7.893 0.477 3.115 36 HD13 ILE 6 HD13 ILE 6 7.087 2.046 3.078 37 H ALA 7 H ALA 7 6.755 2.927 8.895 38 HA ALA 7 HA ALA 7 5.929 0.675 10.471 39 HB1 ALA 7 HB1 ALA 7 6.448 2.826 11.510 40 HB2 ALA 7 HB2 ALA 7 5.096 3.568 10.653 41 HB3 ALA 7 HB3 ALA 7 4.795 2.322 11.864 42 H PHE 8 H PHE 8 4.696 -0.592 9.068 43 HA PHE 8 HA PHE 8 2.224 0.448 8.004 44 HB2 PHE 8 HB2 PHE 8 3.442 -2.309 8.105 45 HB3 PHE 8 HB3 PHE 8 1.821 -2.021 7.495 46 HD1 PHE 8 HD1 PHE 8 1.527 -0.509 5.511 47 HD2 PHE 8 HD2 PHE 8 5.325 -1.959 6.765 48 HE1 PHE 8 HE1 PHE 8 2.445 -0.019 3.281 49 HE2 PHE 8 HE2 PHE 8 6.252 -1.473 4.540 50 HZ PHE 8 HZ PHE 8 4.811 -0.501 2.794 51 H ARG 9 H ARG 9 0.367 0.538 9.051 52 HA ARG 9 HA ARG 9 0.133 -0.746 11.668 53 HB2 ARG 9 HB2 ARG 9 -1.849 1.090 10.307 54 HB3 ARG 9 HB3 ARG 9 -1.796 0.654 12.008 55 HG2 ARG 9 HG2 ARG 9 0.393 1.825 12.181 56 HG3 ARG 9 HG3 ARG 9 0.179 2.369 10.516 57 HD2 ARG 9 HD2 ARG 9 -0.534 4.131 11.970 58 HD3 ARG 9 HD3 ARG 9 -1.967 3.432 11.212 59 HE ARG 9 HE ARG 9 -1.647 2.078 13.594 60 HH11 ARG 9 HH11 ARG 9 -2.205 5.408 12.617 61 HH12 ARG 9 HH12 ARG 9 -2.972 5.841 14.117 62 HH21 ARG 9 HH21 ARG 9 -2.656 2.652 15.546 63 HH22 ARG 9 HH22 ARG 9 -3.237 4.273 15.770 64 H GLU 10 H GLU 10 -1.853 -1.963 12.171 65 HA GLU 10 HA GLU 10 -3.106 -3.129 9.776 66 HB2 GLU 10 HB2 GLU 10 -1.477 -4.679 10.947 67 HB3 GLU 10 HB3 GLU 10 -2.554 -4.643 12.334 68 HG2 GLU 10 HG2 GLU 10 -4.311 -5.673 11.075 69 HG3 GLU 10 HG3 GLU 10 -3.372 -5.560 9.588 70 H LEU 11 H LEU 11 -4.906 -1.908 9.833 71 HA LEU 11 HA LEU 11 -6.592 -2.033 12.228 72 HB2 LEU 11 HB2 LEU 11 -6.237 0.251 10.287 73 HB3 LEU 11 HB3 LEU 11 -7.379 0.214 11.603 74 HG LEU 11 HG LEU 11 -4.380 0.172 11.918 75 HD11 LEU 11 HD11 LEU 11 -4.629 2.450 12.741 76 HD12 LEU 11 HD12 LEU 11 -5.206 2.317 11.078 77 HD13 LEU 11 HD13 LEU 11 -6.361 2.390 12.410 78 HD21 LEU 11 HD21 LEU 11 -6.581 0.402 13.966 79 HD22 LEU 11 HD22 LEU 11 -5.525 -0.990 13.726 80 HD23 LEU 11 HD23 LEU 11 -4.854 0.541 14.287 81 H SER 12 H SER 12 -8.891 -1.815 11.773 82 HA SER 12 HA SER 12 -9.753 -3.317 9.524 83 HB2 SER 12 HB2 SER 12 -11.390 -1.606 11.411 84 HB3 SER 12 HB3 SER 12 -12.008 -2.873 10.349 85 HG SER 12 HG SER 12 -10.017 -3.389 12.295 86 H PHE 13 H PHE 13 -11.425 -2.528 7.987 87 HA PHE 13 HA PHE 13 -10.360 -0.503 6.387 88 HB2 PHE 13 HB2 PHE 13 -11.767 -2.378 5.595 89 HB3 PHE 13 HB3 PHE 13 -13.167 -1.617 6.313 90 HD1 PHE 13 HD1 PHE 13 -10.427 -0.803 3.924 91 HD2 PHE 13 HD2 PHE 13 -14.530 -0.368 4.964 92 HE1 PHE 13 HE1 PHE 13 -10.824 0.417 1.827 93 HE2 PHE 13 HE2 PHE 13 -14.933 0.856 2.867 94 HZ PHE 13 HZ PHE 13 -13.079 1.247 1.296 95 HA PRO 14 HA PRO 14 -14.032 2.414 7.975 96 HB2 PRO 14 HB2 PRO 14 -14.292 1.292 10.702 97 HB3 PRO 14 HB3 PRO 14 -15.536 1.937 9.627 98 HG2 PRO 14 HG2 PRO 14 -15.258 -0.700 10.088 99 HG3 PRO 14 HG3 PRO 14 -15.814 -0.060 8.533 100 HD2 PRO 14 HD2 PRO 14 -13.184 -1.231 9.263 101 HD3 PRO 14 HD3 PRO 14 -14.035 -1.219 7.712 102 H GLU 15 H GLU 15 -11.906 0.955 10.414 103 HA GLU 15 HA GLU 15 -11.300 3.187 11.898 104 HB2 GLU 15 HB2 GLU 15 -10.816 0.686 12.282 105 HB3 GLU 15 HB3 GLU 15 -9.370 0.954 11.317 106 HG2 GLU 15 HG2 GLU 15 -8.457 1.351 13.297 107 HG3 GLU 15 HG3 GLU 15 -9.138 2.954 13.047 108 H ALA 16 H ALA 16 -9.460 1.715 9.237 109 HA ALA 16 HA ALA 16 -7.342 3.533 9.222 110 HB1 ALA 16 HB1 ALA 16 -6.803 2.656 7.027 111 HB2 ALA 16 HB2 ALA 16 -7.285 1.348 8.109 112 HB3 ALA 16 HB3 ALA 16 -8.413 1.949 6.893 113 H LEU 17 H LEU 17 -10.300 3.505 7.235 114 HA LEU 17 HA LEU 17 -9.640 5.741 5.668 115 HB2 LEU 17 HB2 LEU 17 -12.377 4.744 6.456 116 HB3 LEU 17 HB3 LEU 17 -12.055 5.908 5.188 117 HG LEU 17 HG LEU 17 -11.354 2.981 5.217 118 HD11 LEU 17 HD11 LEU 17 -12.750 2.937 3.222 119 HD12 LEU 17 HD12 LEU 17 -13.644 3.553 4.612 120 HD13 LEU 17 HD13 LEU 17 -13.043 4.670 3.384 121 HD21 LEU 17 HD21 LEU 17 -9.465 4.235 4.293 122 HD22 LEU 17 HD22 LEU 17 -10.307 3.317 3.045 123 HD23 LEU 17 HD23 LEU 17 -10.558 5.057 3.179 124 H LYS 18 H LYS 18 -11.683 5.517 8.578 125 HA LYS 18 HA LYS 18 -12.368 8.253 8.570 126 HB2 LYS 18 HB2 LYS 18 -13.735 6.586 9.703 127 HB3 LYS 18 HB3 LYS 18 -12.432 6.263 10.840 128 HG2 LYS 18 HG2 LYS 18 -12.606 8.460 11.765 129 HG3 LYS 18 HG3 LYS 18 -13.776 8.937 10.532 130 HD2 LYS 18 HD2 LYS 18 -15.345 7.250 11.401 131 HD3 LYS 18 HD3 LYS 18 -14.181 6.838 12.663 132 HE2 LYS 18 HE2 LYS 18 -15.859 8.345 13.539 133 HE3 LYS 18 HE3 LYS 18 -14.290 9.144 13.496 134 HZ1 LYS 18 HZ1 LYS 18 -16.484 9.496 11.519 135 HZ2 LYS 18 HZ2 LYS 18 -16.029 10.613 12.712 136 HZ3 LYS 18 HZ3 LYS 18 -14.970 10.250 11.436 137 H ARG 19 H ARG 19 -9.834 6.471 10.325 138 HA ARG 19 HA ARG 19 -9.000 8.577 11.945 139 HB2 ARG 19 HB2 ARG 19 -8.332 6.253 12.321 140 HB3 ARG 19 HB3 ARG 19 -7.424 6.254 10.814 141 HG2 ARG 19 HG2 ARG 19 -5.875 6.542 12.584 142 HG3 ARG 19 HG3 ARG 19 -6.052 8.078 11.735 143 HD2 ARG 19 HD2 ARG 19 -7.744 8.729 13.483 144 HD3 ARG 19 HD3 ARG 19 -7.246 7.298 14.382 145 HE ARG 19 HE ARG 19 -5.030 8.978 13.695 146 HH11 ARG 19 HH11 ARG 19 -7.588 8.412 16.019 147 HH12 ARG 19 HH12 ARG 19 -6.869 9.410 17.248 148 HH21 ARG 19 HH21 ARG 19 -4.072 10.292 15.314 149 HH22 ARG 19 HH22 ARG 19 -4.869 10.475 16.846 150 H ALA 20 H ALA 20 -8.127 7.614 8.669 151 HA ALA 20 HA ALA 20 -6.060 9.536 8.327 152 HB1 ALA 20 HB1 ALA 20 -6.229 7.516 6.939 153 HB2 ALA 20 HB2 ALA 20 -7.711 8.144 6.218 154 HB3 ALA 20 HB3 ALA 20 -6.181 8.984 5.961 155 H GLU 21 H GLU 21 -9.507 9.476 7.544 156 HA GLU 21 HA GLU 21 -9.669 11.885 6.145 157 HB2 GLU 21 HB2 GLU 21 -11.481 10.229 6.248 158 HB3 GLU 21 HB3 GLU 21 -11.731 10.606 7.946 159 HG2 GLU 21 HG2 GLU 21 -12.415 12.857 7.370 160 HG3 GLU 21 HG3 GLU 21 -12.103 12.532 5.666 161 H VAL 22 H VAL 22 -9.604 11.251 9.597 162 HA VAL 22 HA VAL 22 -10.300 13.991 10.234 163 HB VAL 22 HB VAL 22 -9.554 11.731 12.098 164 HG11 VAL 22 HG11 VAL 22 -10.563 13.125 13.841 165 HG12 VAL 22 HG12 VAL 22 -9.187 13.933 13.086 166 HG13 VAL 22 HG13 VAL 22 -10.831 14.406 12.659 167 HG21 VAL 22 HG21 VAL 22 -11.595 11.255 10.827 168 HG22 VAL 22 HG22 VAL 22 -11.949 11.546 12.530 169 HG23 VAL 22 HG23 VAL 22 -12.272 12.803 11.336 170 H GLU 23 H GLU 23 -7.483 11.854 10.827 171 HA GLU 23 HA GLU 23 -6.025 14.255 11.702 172 HB2 GLU 23 HB2 GLU 23 -5.483 11.341 12.273 173 HB3 GLU 23 HB3 GLU 23 -4.474 12.675 12.818 174 HG2 GLU 23 HG2 GLU 23 -7.338 12.161 13.586 175 HG3 GLU 23 HG3 GLU 23 -5.916 11.935 14.603 176 H ASP 24 H ASP 24 -5.906 11.644 9.376 177 HA ASP 24 HA ASP 24 -3.130 12.356 8.711 178 HB2 ASP 24 HB2 ASP 24 -4.762 9.907 8.004 179 HB3 ASP 24 HB3 ASP 24 -3.116 10.200 7.453 180 H LYS 25 H LYS 25 -3.233 11.225 6.040 181 HA LYS 25 HA LYS 25 -4.939 13.231 4.742 182 HB2 LYS 25 HB2 LYS 25 -2.477 13.725 4.642 183 HB3 LYS 25 HB3 LYS 25 -2.287 12.265 3.669 184 HG2 LYS 25 HG2 LYS 25 -2.402 14.023 2.126 185 HG3 LYS 25 HG3 LYS 25 -4.006 13.286 2.096 186 HD2 LYS 25 HD2 LYS 25 -4.703 15.032 3.780 187 HD3 LYS 25 HD3 LYS 25 -3.160 15.824 3.467 188 HE2 LYS 25 HE2 LYS 25 -4.653 16.924 2.049 189 HE3 LYS 25 HE3 LYS 25 -3.846 15.759 1.000 190 HZ1 LYS 25 HZ1 LYS 25 -6.092 15.544 0.481 191 HZ2 LYS 25 HZ2 LYS 25 -5.825 14.253 1.548 192 HZ3 LYS 25 HZ3 LYS 25 -6.586 15.663 2.097 193 H LEU 26 H LEU 26 -3.005 10.732 3.155 194 HA LEU 26 HA LEU 26 -5.483 9.889 1.821 195 HB2 LEU 26 HB2 LEU 26 -2.600 9.766 0.950 196 HB3 LEU 26 HB3 LEU 26 -3.914 9.025 0.057 197 HG LEU 26 HG LEU 26 -3.728 11.981 0.642 198 HD11 LEU 26 HD11 LEU 26 -3.045 10.478 -1.882 199 HD12 LEU 26 HD12 LEU 26 -3.067 12.232 -1.689 200 HD13 LEU 26 HD13 LEU 26 -1.892 11.262 -0.800 201 HD21 LEU 26 HD21 LEU 26 -5.998 11.145 0.277 202 HD22 LEU 26 HD22 LEU 26 -5.463 12.169 -1.054 203 HD23 LEU 26 HD23 LEU 26 -5.484 10.416 -1.243 204 H LEU 27 H LEU 27 -5.600 7.632 1.101 205 HA LEU 27 HA LEU 27 -4.717 5.850 3.246 206 HB2 LEU 27 HB2 LEU 27 -6.828 5.581 1.108 207 HB3 LEU 27 HB3 LEU 27 -6.349 4.245 2.129 208 HG LEU 27 HG LEU 27 -8.375 5.136 2.995 209 HD11 LEU 27 HD11 LEU 27 -6.777 4.451 4.666 210 HD12 LEU 27 HD12 LEU 27 -6.075 6.069 4.693 211 HD13 LEU 27 HD13 LEU 27 -7.731 5.816 5.248 212 HD21 LEU 27 HD21 LEU 27 -7.038 7.837 3.038 213 HD22 LEU 27 HD22 LEU 27 -8.347 7.328 1.970 214 HD23 LEU 27 HD23 LEU 27 -8.628 7.462 3.705 215 H PHE 28 H PHE 28 -3.046 4.528 2.934 216 HA PHE 28 HA PHE 28 -2.426 3.688 0.179 217 HB2 PHE 28 HB2 PHE 28 -0.583 4.965 1.146 218 HB3 PHE 28 HB3 PHE 28 -0.573 3.927 2.568 219 HD1 PHE 28 HD1 PHE 28 -0.097 3.859 -1.119 220 HD2 PHE 28 HD2 PHE 28 0.791 2.051 2.629 221 HE1 PHE 28 HE1 PHE 28 1.525 2.376 -2.223 222 HE2 PHE 28 HE2 PHE 28 2.413 0.563 1.532 223 HZ PHE 28 HZ PHE 28 2.781 0.725 -0.897 224 H VAL 29 H VAL 29 -3.306 1.759 -0.129 225 HA VAL 29 HA VAL 29 -3.457 -0.104 2.134 226 HB VAL 29 HB VAL 29 -4.870 -0.330 -0.528 227 HG11 VAL 29 HG11 VAL 29 -5.317 -1.707 2.119 228 HG12 VAL 29 HG12 VAL 29 -6.335 -1.889 0.690 229 HG13 VAL 29 HG13 VAL 29 -4.660 -2.439 0.656 230 HG21 VAL 29 HG21 VAL 29 -6.867 0.504 0.629 231 HG22 VAL 29 HG22 VAL 29 -5.900 0.800 2.073 232 HG23 VAL 29 HG23 VAL 29 -5.581 1.710 0.595 233 H ASP 30 H ASP 30 -1.816 -1.452 2.252 234 HA ASP 30 HA ASP 30 -0.475 -2.370 -0.171 235 HB2 ASP 30 HB2 ASP 30 0.996 -1.637 1.585 236 HB3 ASP 30 HB3 ASP 30 0.186 -2.664 2.764 237 H CYS 31 H CYS 31 -1.687 -3.914 -1.113 238 HA CYS 31 HA CYS 31 -2.563 -6.174 0.550 239 HB2 CYS 31 HB2 CYS 31 -3.457 -5.307 -2.209 240 HB3 CYS 31 HB3 CYS 31 -4.012 -6.766 -1.396 241 HG CYS 31 HG CYS 31 -6.133 -5.230 -0.968 242 H PHE 32 H PHE 32 -1.183 -7.806 0.557 243 HA PHE 32 HA PHE 32 0.183 -8.499 -1.958 244 HB2 PHE 32 HB2 PHE 32 2.130 -9.226 -0.634 245 HB3 PHE 32 HB3 PHE 32 1.793 -7.516 -0.389 246 HD1 PHE 32 HD1 PHE 32 0.742 -6.757 1.728 247 HD2 PHE 32 HD2 PHE 32 2.039 -10.772 1.160 248 HE1 PHE 32 HE1 PHE 32 0.685 -7.118 4.160 249 HE2 PHE 32 HE2 PHE 32 1.978 -11.136 3.590 250 HZ PHE 32 HZ PHE 32 1.303 -9.309 5.092 251 H THR 33 H THR 33 0.695 -10.780 -2.200 252 HA THR 33 HA THR 33 -1.254 -12.455 -0.804 253 HB THR 33 HB THR 33 -0.686 -14.165 -2.536 254 HG1 THR 33 HG1 THR 33 0.470 -13.333 -4.398 255 HG21 THR 33 HG21 THR 33 -2.610 -12.685 -2.823 256 HG22 THR 33 HG22 THR 33 -1.579 -11.488 -3.606 257 HG23 THR 33 HG23 THR 33 -1.855 -13.052 -4.374 258 H THR 34 H THR 34 -0.653 -14.560 -0.093 259 HA THR 34 HA THR 34 1.914 -14.566 1.282 260 HB THR 34 HB THR 34 0.949 -16.575 2.440 261 HG1 THR 34 HG1 THR 34 -1.623 -16.221 1.812 262 HG21 THR 34 HG21 THR 34 -0.716 -15.319 3.725 263 HG22 THR 34 HG22 THR 34 0.702 -14.327 3.387 264 HG23 THR 34 HG23 THR 34 -0.779 -14.097 2.454 265 H TRP 35 H TRP 35 1.437 -15.114 -1.659 266 HA TRP 35 HA TRP 35 1.493 -17.783 -2.336 267 HB2 TRP 35 HB2 TRP 35 1.156 -15.664 -3.748 268 HB3 TRP 35 HB3 TRP 35 2.910 -15.639 -3.887 269 HD1 TRP 35 HD1 TRP 35 3.968 -17.169 -5.665 270 HE1 TRP 35 HE1 TRP 35 3.031 -18.862 -7.384 271 HE3 TRP 35 HE3 TRP 35 -0.788 -17.473 -3.923 272 HZ2 TRP 35 HZ2 TRP 35 0.562 -20.142 -7.904 273 HZ3 TRP 35 HZ3 TRP 35 -2.395 -18.943 -5.072 274 HH2 TRP 35 HH2 TRP 35 -1.729 -20.253 -7.022 275 H CYS 36 H CYS 36 4.319 -15.630 -2.599 276 HA CYS 36 HA CYS 36 5.989 -17.924 -1.855 277 HB2 CYS 36 HB2 CYS 36 7.744 -16.852 -3.371 278 HB3 CYS 36 HB3 CYS 36 6.376 -17.624 -4.165 279 HG CYS 36 HG CYS 36 7.305 -15.117 -5.360 280 H GLY 37 H GLY 37 6.694 -14.482 -2.421 281 HA2 GLY 37 HA2 GLY 37 6.636 -13.620 0.213 282 HA3 GLY 37 HA3 GLY 37 8.253 -14.246 -0.055 283 HA PRO 38 HA PRO 38 8.156 -10.528 -3.110 284 HB2 PRO 38 HB2 PRO 38 5.388 -9.513 -2.985 285 HB3 PRO 38 HB3 PRO 38 6.415 -9.803 -4.391 286 HG2 PRO 38 HG2 PRO 38 4.337 -11.391 -3.842 287 HG3 PRO 38 HG3 PRO 38 5.845 -12.040 -4.514 288 HD2 PRO 38 HD2 PRO 38 4.856 -12.087 -1.687 289 HD3 PRO 38 HD3 PRO 38 5.650 -13.371 -2.624 290 H CYS 39 H CYS 39 5.891 -10.309 -0.387 291 HA CYS 39 HA CYS 39 6.501 -7.644 0.327 292 HB2 CYS 39 HB2 CYS 39 4.509 -8.890 1.143 293 HB3 CYS 39 HB3 CYS 39 5.567 -9.900 2.121 294 HG CYS 39 HG CYS 39 4.692 -6.653 2.575 295 H LYS 40 H LYS 40 8.016 -10.725 0.994 296 HA LYS 40 HA LYS 40 9.760 -9.755 3.031 297 HB2 LYS 40 HB2 LYS 40 9.093 -12.174 2.641 298 HB3 LYS 40 HB3 LYS 40 10.219 -12.176 1.290 299 HG2 LYS 40 HG2 LYS 40 11.225 -13.135 3.275 300 HG3 LYS 40 HG3 LYS 40 12.052 -11.649 2.809 301 HD2 LYS 40 HD2 LYS 40 11.732 -11.731 5.223 302 HD3 LYS 40 HD3 LYS 40 10.789 -10.418 4.516 303 HE2 LYS 40 HE2 LYS 40 8.802 -11.930 4.537 304 HE3 LYS 40 HE3 LYS 40 9.772 -13.114 5.412 305 HZ1 LYS 40 HZ1 LYS 40 8.460 -11.845 6.949 306 HZ2 LYS 40 HZ2 LYS 40 10.095 -11.446 7.166 307 HZ3 LYS 40 HZ3 LYS 40 9.061 -10.384 6.339 308 H ARG 41 H ARG 41 9.899 -10.025 -0.459 309 HA ARG 41 HA ARG 41 12.588 -9.349 -0.866 310 HB2 ARG 41 HB2 ARG 41 10.131 -8.734 -2.514 311 HB3 ARG 41 HB3 ARG 41 11.770 -8.427 -3.057 312 HG2 ARG 41 HG2 ARG 41 10.679 -11.127 -2.319 313 HG3 ARG 41 HG3 ARG 41 10.833 -10.500 -3.962 314 HD2 ARG 41 HD2 ARG 41 13.290 -10.209 -3.507 315 HD3 ARG 41 HD3 ARG 41 13.042 -11.101 -2.005 316 HE ARG 41 HE ARG 41 11.971 -12.681 -3.988 317 HH11 ARG 41 HH11 ARG 41 15.109 -11.278 -3.308 318 HH12 ARG 41 HH12 ARG 41 15.997 -12.568 -4.067 319 HH21 ARG 41 HH21 ARG 41 13.127 -14.363 -4.996 320 HH22 ARG 41 HH22 ARG 41 14.865 -14.323 -5.049 321 H LEU 42 H LEU 42 9.696 -7.312 -0.623 322 HA LEU 42 HA LEU 42 11.036 -4.835 -0.874 323 HB2 LEU 42 HB2 LEU 42 8.407 -5.421 0.495 324 HB3 LEU 42 HB3 LEU 42 8.965 -3.844 -0.034 325 HG LEU 42 HG LEU 42 8.343 -6.163 -1.869 326 HD11 LEU 42 HD11 LEU 42 6.777 -3.659 -1.268 327 HD12 LEU 42 HD12 LEU 42 6.381 -4.849 -2.507 328 HD13 LEU 42 HD13 LEU 42 6.335 -5.301 -0.803 329 HD21 LEU 42 HD21 LEU 42 8.549 -4.525 -3.657 330 HD22 LEU 42 HD22 LEU 42 8.976 -3.278 -2.486 331 HD23 LEU 42 HD23 LEU 42 10.056 -4.646 -2.751 332 H SER 43 H SER 43 10.679 -7.031 1.733 333 HA SER 43 HA SER 43 10.960 -5.260 3.902 334 HB2 SER 43 HB2 SER 43 10.163 -7.570 4.177 335 HB3 SER 43 HB3 SER 43 11.755 -8.175 3.719 336 HG SER 43 HG SER 43 12.162 -6.448 5.659 337 H LYS 44 H LYS 44 13.261 -6.614 1.671 338 HA LYS 44 HA LYS 44 15.589 -6.468 3.208 339 HB2 LYS 44 HB2 LYS 44 15.561 -7.659 1.113 340 HB3 LYS 44 HB3 LYS 44 15.201 -6.186 0.227 341 HG2 LYS 44 HG2 LYS 44 17.536 -6.876 -0.020 342 HG3 LYS 44 HG3 LYS 44 17.390 -5.296 0.748 343 HD2 LYS 44 HD2 LYS 44 17.732 -6.334 2.938 344 HD3 LYS 44 HD3 LYS 44 17.874 -7.915 2.167 345 HE2 LYS 44 HE2 LYS 44 20.069 -6.973 2.693 346 HE3 LYS 44 HE3 LYS 44 19.848 -7.163 0.955 347 HZ1 LYS 44 HZ1 LYS 44 19.469 -4.840 0.723 348 HZ2 LYS 44 HZ2 LYS 44 19.421 -4.601 2.401 349 HZ3 LYS 44 HZ3 LYS 44 20.876 -5.020 1.647 350 H VAL 45 H VAL 45 14.636 -4.102 0.682 351 HA VAL 45 HA VAL 45 16.298 -2.129 2.105 352 HB VAL 45 HB VAL 45 15.427 -2.107 -0.789 353 HG11 VAL 45 HG11 VAL 45 17.344 -0.323 0.708 354 HG12 VAL 45 HG12 VAL 45 17.044 -0.280 -1.028 355 HG13 VAL 45 HG13 VAL 45 15.754 0.132 0.099 356 HG21 VAL 45 HG21 VAL 45 17.793 -2.582 -1.280 357 HG22 VAL 45 HG22 VAL 45 18.091 -2.791 0.445 358 HG23 VAL 45 HG23 VAL 45 17.007 -3.893 -0.402 359 H VAL 46 H VAL 46 13.255 -2.473 0.306 360 HA VAL 46 HA VAL 46 12.410 0.171 0.454 361 HB VAL 46 HB VAL 46 10.593 -2.242 0.461 362 HG11 VAL 46 HG11 VAL 46 10.192 0.575 -0.534 363 HG12 VAL 46 HG12 VAL 46 9.065 -0.757 -0.779 364 HG13 VAL 46 HG13 VAL 46 9.400 -0.177 0.852 365 HG21 VAL 46 HG21 VAL 46 11.912 -0.847 -1.864 366 HG22 VAL 46 HG22 VAL 46 12.249 -2.482 -1.294 367 HG23 VAL 46 HG23 VAL 46 10.674 -2.098 -1.990 368 H PHE 47 H PHE 47 11.608 -2.520 2.646 369 HA PHE 47 HA PHE 47 10.108 -0.733 4.365 370 HB2 PHE 47 HB2 PHE 47 10.739 -3.674 4.631 371 HB3 PHE 47 HB3 PHE 47 9.707 -2.775 5.730 372 HD1 PHE 47 HD1 PHE 47 8.749 -1.174 3.020 373 HD2 PHE 47 HD2 PHE 47 8.727 -5.180 4.454 374 HE1 PHE 47 HE1 PHE 47 6.803 -1.668 1.597 375 HE2 PHE 47 HE2 PHE 47 6.783 -5.682 3.033 376 HZ PHE 47 HZ PHE 47 5.820 -3.927 1.602 377 H LYS 48 H LYS 48 13.203 -0.692 4.027 378 HA LYS 48 HA LYS 48 13.711 -0.558 6.927 379 HB2 LYS 48 HB2 LYS 48 15.562 -1.662 4.812 380 HB3 LYS 48 HB3 LYS 48 16.068 -1.275 6.450 381 HG2 LYS 48 HG2 LYS 48 13.974 -3.303 5.693 382 HG3 LYS 48 HG3 LYS 48 15.636 -3.658 6.164 383 HD2 LYS 48 HD2 LYS 48 13.607 -2.260 7.904 384 HD3 LYS 48 HD3 LYS 48 14.015 -3.972 8.007 385 HE2 LYS 48 HE2 LYS 48 15.878 -1.648 8.492 386 HE3 LYS 48 HE3 LYS 48 15.195 -2.719 9.715 387 HZ1 LYS 48 HZ1 LYS 48 17.234 -3.331 7.665 388 HZ2 LYS 48 HZ2 LYS 48 17.322 -3.537 9.348 389 HZ3 LYS 48 HZ3 LYS 48 16.345 -4.566 8.419 390 H ASP 49 H ASP 49 13.481 1.175 4.162 391 HA ASP 49 HA ASP 49 15.774 2.901 4.580 392 HB2 ASP 49 HB2 ASP 49 14.857 2.347 2.291 393 HB3 ASP 49 HB3 ASP 49 13.457 3.339 2.691 394 H SER 50 H SER 50 15.770 4.585 5.922 395 HA SER 50 HA SER 50 13.466 5.266 7.434 396 HB2 SER 50 HB2 SER 50 16.083 6.769 7.229 397 HB3 SER 50 HB3 SER 50 14.898 6.889 8.529 398 HG SER 50 HG SER 50 16.922 5.315 8.506 399 H LEU 51 H LEU 51 15.170 6.865 4.768 400 HA LEU 51 HA LEU 51 13.812 9.336 4.973 401 HB2 LEU 51 HB2 LEU 51 15.961 9.048 3.804 402 HB3 LEU 51 HB3 LEU 51 15.157 8.098 2.571 403 HG LEU 51 HG LEU 51 13.817 10.077 1.945 404 HD11 LEU 51 HD11 LEU 51 15.577 11.536 3.912 405 HD12 LEU 51 HD12 LEU 51 14.420 12.275 2.803 406 HD13 LEU 51 HD13 LEU 51 13.851 11.227 4.103 407 HD21 LEU 51 HD21 LEU 51 15.628 11.302 0.860 408 HD22 LEU 51 HD22 LEU 51 16.800 10.524 1.923 409 HD23 LEU 51 HD23 LEU 51 15.889 9.561 0.760 410 H VAL 52 H VAL 52 13.310 6.522 2.859 411 HA VAL 52 HA VAL 52 11.106 7.648 1.482 412 HB VAL 52 HB VAL 52 11.807 4.727 1.852 413 HG11 VAL 52 HG11 VAL 52 9.498 5.014 1.131 414 HG12 VAL 52 HG12 VAL 52 10.027 6.060 -0.187 415 HG13 VAL 52 HG13 VAL 52 10.483 4.355 -0.176 416 HG21 VAL 52 HG21 VAL 52 12.526 6.676 -0.336 417 HG22 VAL 52 HG22 VAL 52 13.631 5.949 0.832 418 HG23 VAL 52 HG23 VAL 52 12.838 4.940 -0.379 419 H ALA 53 H ALA 53 11.384 5.723 4.412 420 HA ALA 53 HA ALA 53 8.686 5.089 4.802 421 HB1 ALA 53 HB1 ALA 53 9.265 4.786 7.153 422 HB2 ALA 53 HB2 ALA 53 10.501 4.087 6.103 423 HB3 ALA 53 HB3 ALA 53 10.788 5.637 6.896 424 H ASP 54 H ASP 54 10.566 7.905 5.863 425 HA ASP 54 HA ASP 54 8.540 9.262 7.237 426 HB2 ASP 54 HB2 ASP 54 10.797 10.040 7.447 427 HB3 ASP 54 HB3 ASP 54 10.939 10.286 5.710 428 H TYR 55 H TYR 55 9.433 9.280 3.827 429 HA TYR 55 HA TYR 55 7.694 11.313 2.962 430 HB2 TYR 55 HB2 TYR 55 9.618 10.323 1.667 431 HB3 TYR 55 HB3 TYR 55 8.607 8.915 1.359 432 HD1 TYR 55 HD1 TYR 55 8.919 12.547 0.778 433 HD2 TYR 55 HD2 TYR 55 6.990 8.940 -0.380 434 HE1 TYR 55 HE1 TYR 55 7.999 13.685 -1.195 435 HE2 TYR 55 HE2 TYR 55 6.066 10.063 -2.362 436 HH TYR 55 HH TYR 55 7.140 13.138 -3.405 437 H PHE 56 H PHE 56 7.280 7.783 3.104 438 HA PHE 56 HA PHE 56 4.651 7.765 2.068 439 HB2 PHE 56 HB2 PHE 56 6.370 5.813 3.505 440 HB3 PHE 56 HB3 PHE 56 4.636 5.512 3.498 441 HD1 PHE 56 HD1 PHE 56 7.627 5.855 1.384 442 HD2 PHE 56 HD2 PHE 56 3.499 4.835 1.528 443 HE1 PHE 56 HE1 PHE 56 7.790 4.883 -0.871 444 HE2 PHE 56 HE2 PHE 56 3.653 3.861 -0.723 445 HZ PHE 56 HZ PHE 56 5.803 3.884 -1.929 446 H ASN 57 H ASN 57 5.865 7.752 5.419 447 HA ASN 57 HA ASN 57 3.354 7.589 6.685 448 HB2 ASN 57 HB2 ASN 57 6.051 8.589 7.545 449 HB3 ASN 57 HB3 ASN 57 4.658 8.837 8.582 450 HD21 ASN 57 HD21 ASN 57 5.179 6.026 6.541 451 HD22 ASN 57 HD22 ASN 57 5.378 4.909 7.838 452 H ARG 58 H ARG 58 5.088 10.263 5.301 453 HA ARG 58 HA ARG 58 3.556 12.316 6.581 454 HB2 ARG 58 HB2 ARG 58 5.914 12.553 5.732 455 HB3 ARG 58 HB3 ARG 58 5.267 12.524 4.100 456 HG2 ARG 58 HG2 ARG 58 3.974 14.546 4.582 457 HG3 ARG 58 HG3 ARG 58 4.647 14.576 6.215 458 HD2 ARG 58 HD2 ARG 58 6.145 14.871 3.614 459 HD3 ARG 58 HD3 ARG 58 5.886 16.110 4.841 460 HE ARG 58 HE ARG 58 7.545 13.701 5.264 461 HH11 ARG 58 HH11 ARG 58 6.910 17.116 5.729 462 HH12 ARG 58 HH12 ARG 58 8.315 17.365 6.722 463 HH21 ARG 58 HH21 ARG 58 9.410 14.022 6.495 464 HH22 ARG 58 HH22 ARG 58 9.764 15.609 7.135 465 H HIS 59 H HIS 59 3.478 10.711 3.426 466 HA HIS 59 HA HIS 59 1.453 12.536 2.441 467 HB2 HIS 59 HB2 HIS 59 3.037 10.308 1.233 468 HB3 HIS 59 HB3 HIS 59 1.570 10.857 0.434 469 HD1 HIS 59 HD1 HIS 59 2.073 12.464 -1.354 470 HD2 HIS 59 HD2 HIS 59 4.728 12.821 1.836 471 HE1 HIS 59 HE1 HIS 59 3.679 14.294 -1.998 472 HE2 HIS 59 HE2 HIS 59 5.174 14.604 0.008 473 H PHE 60 H PHE 60 1.631 9.132 3.434 474 HA PHE 60 HA PHE 60 -1.303 9.017 3.184 475 HB2 PHE 60 HB2 PHE 60 0.349 6.580 2.586 476 HB3 PHE 60 HB3 PHE 60 -1.294 6.954 2.090 477 HD1 PHE 60 HD1 PHE 60 -1.694 8.438 0.168 478 HD2 PHE 60 HD2 PHE 60 2.229 7.238 1.297 479 HE1 PHE 60 HE1 PHE 60 -0.854 9.123 -2.040 480 HE2 PHE 60 HE2 PHE 60 3.077 7.915 -0.910 481 HZ PHE 60 HZ PHE 60 1.534 8.861 -2.582 482 H VAL 61 H VAL 61 -2.173 7.035 4.357 483 HA VAL 61 HA VAL 61 -0.622 6.448 6.765 484 HB VAL 61 HB VAL 61 -2.624 5.170 7.506 485 HG11 VAL 61 HG11 VAL 61 -4.048 7.120 7.905 486 HG12 VAL 61 HG12 VAL 61 -2.343 7.471 8.182 487 HG13 VAL 61 HG13 VAL 61 -3.128 8.023 6.703 488 HG21 VAL 61 HG21 VAL 61 -3.541 4.580 5.322 489 HG22 VAL 61 HG22 VAL 61 -4.734 5.426 6.306 490 HG23 VAL 61 HG23 VAL 61 -3.901 6.278 5.008 491 H ASN 62 H ASN 62 0.553 4.664 6.931 492 HA ASN 62 HA ASN 62 0.589 2.854 4.671 493 HB2 ASN 62 HB2 ASN 62 2.365 3.161 7.087 494 HB3 ASN 62 HB3 ASN 62 2.562 1.850 5.926 495 HD21 ASN 62 HD21 ASN 62 2.704 5.312 6.393 496 HD22 ASN 62 HD22 ASN 62 3.626 5.652 4.971 497 H LEU 63 H LEU 63 -1.073 1.513 4.705 498 HA LEU 63 HA LEU 63 -1.530 -0.064 7.152 499 HB2 LEU 63 HB2 LEU 63 -3.437 1.311 6.699 500 HB3 LEU 63 HB3 LEU 63 -3.436 0.858 5.005 501 HG LEU 63 HG LEU 63 -3.994 -1.485 5.718 502 HD11 LEU 63 HD11 LEU 63 -3.200 -1.334 8.022 503 HD12 LEU 63 HD12 LEU 63 -4.470 -0.167 8.383 504 HD13 LEU 63 HD13 LEU 63 -4.892 -1.823 7.948 505 HD21 LEU 63 HD21 LEU 63 -5.917 0.709 6.455 506 HD22 LEU 63 HD22 LEU 63 -5.688 0.006 4.854 507 HD23 LEU 63 HD23 LEU 63 -6.351 -0.975 6.161 508 H LYS 64 H LYS 64 -1.064 -2.158 6.985 509 HA LYS 64 HA LYS 64 -0.807 -3.347 4.330 510 HB2 LYS 64 HB2 LYS 64 0.170 -5.286 5.524 511 HB3 LYS 64 HB3 LYS 64 1.034 -3.792 5.858 512 HG2 LYS 64 HG2 LYS 64 0.645 -3.946 8.036 513 HG3 LYS 64 HG3 LYS 64 -1.072 -4.266 7.783 514 HD2 LYS 64 HD2 LYS 64 1.160 -6.292 7.617 515 HD3 LYS 64 HD3 LYS 64 0.008 -6.121 8.942 516 HE2 LYS 64 HE2 LYS 64 -1.820 -6.535 7.239 517 HE3 LYS 64 HE3 LYS 64 -0.546 -6.983 6.107 518 HZ1 LYS 64 HZ1 LYS 64 -1.463 -8.935 7.184 519 HZ2 LYS 64 HZ2 LYS 64 0.155 -8.718 7.662 520 HZ3 LYS 64 HZ3 LYS 64 -1.112 -8.291 8.712 521 H MET 65 H MET 65 -2.265 -4.767 3.536 522 HA MET 65 HA MET 65 -4.341 -5.750 5.373 523 HB2 MET 65 HB2 MET 65 -5.228 -3.782 4.187 524 HB3 MET 65 HB3 MET 65 -4.847 -4.539 2.646 525 HG2 MET 65 HG2 MET 65 -7.205 -4.755 3.146 526 HG3 MET 65 HG3 MET 65 -6.424 -6.337 3.138 527 HE1 MET 65 HE1 MET 65 -9.139 -6.844 5.877 528 HE2 MET 65 HE2 MET 65 -9.280 -5.962 4.355 529 HE3 MET 65 HE3 MET 65 -8.402 -7.492 4.411 530 H ASP 66 H ASP 66 -4.257 -7.901 5.320 531 HA ASP 66 HA ASP 66 -3.114 -9.334 3.146 532 HB2 ASP 66 HB2 ASP 66 -4.681 -10.217 5.561 533 HB3 ASP 66 HB3 ASP 66 -4.159 -11.337 4.306 534 H MET 67 H MET 67 -4.089 -10.540 1.588 535 HA MET 67 HA MET 67 -6.708 -9.491 0.845 536 HB2 MET 67 HB2 MET 67 -4.468 -9.584 -0.555 537 HB3 MET 67 HB3 MET 67 -5.070 -11.183 -0.971 538 HG2 MET 67 HG2 MET 67 -7.133 -10.221 -1.816 539 HG3 MET 67 HG3 MET 67 -6.580 -8.609 -1.363 540 HE1 MET 67 HE1 MET 67 -5.899 -11.719 -3.675 541 HE2 MET 67 HE2 MET 67 -4.455 -11.184 -4.533 542 HE3 MET 67 HE3 MET 67 -4.388 -11.478 -2.799 543 H GLU 68 H GLU 68 -5.726 -12.014 2.546 544 HA GLU 68 HA GLU 68 -7.870 -13.743 1.508 545 HB2 GLU 68 HB2 GLU 68 -6.632 -15.648 2.529 546 HB3 GLU 68 HB3 GLU 68 -5.768 -14.869 1.211 547 HG2 GLU 68 HG2 GLU 68 -4.417 -13.637 2.856 548 HG3 GLU 68 HG3 GLU 68 -5.255 -14.491 4.153 549 H LYS 69 H LYS 69 -7.416 -11.542 3.725 550 HA LYS 69 HA LYS 69 -8.834 -13.012 5.850 551 HB2 LYS 69 HB2 LYS 69 -6.870 -10.742 6.231 552 HB3 LYS 69 HB3 LYS 69 -7.724 -11.599 7.506 553 HG2 LYS 69 HG2 LYS 69 -6.513 -13.633 6.990 554 HG3 LYS 69 HG3 LYS 69 -5.702 -12.829 5.643 555 HD2 LYS 69 HD2 LYS 69 -4.772 -11.189 7.274 556 HD3 LYS 69 HD3 LYS 69 -5.464 -12.162 8.573 557 HE2 LYS 69 HE2 LYS 69 -4.087 -14.031 7.994 558 HE3 LYS 69 HE3 LYS 69 -3.518 -13.220 6.534 559 HZ1 LYS 69 HZ1 LYS 69 -1.862 -13.076 8.258 560 HZ2 LYS 69 HZ2 LYS 69 -2.483 -11.526 7.952 561 HZ3 LYS 69 HZ3 LYS 69 -2.973 -12.380 9.334 562 H GLY 70 H GLY 70 -10.430 -11.840 6.981 563 HA2 GLY 70 HA2 GLY 70 -12.148 -10.334 7.188 564 HA3 GLY 70 HA3 GLY 70 -10.988 -9.119 6.680 565 H GLU 71 H GLU 71 -11.927 -7.917 5.176 566 HA GLU 71 HA GLU 71 -13.589 -9.184 3.137 567 HB2 GLU 71 HB2 GLU 71 -14.078 -6.873 2.399 568 HB3 GLU 71 HB3 GLU 71 -14.485 -7.146 4.086 569 HG2 GLU 71 HG2 GLU 71 -11.863 -5.931 3.308 570 HG3 GLU 71 HG3 GLU 71 -13.324 -4.951 3.418 571 H GLY 72 H GLY 72 -10.467 -9.067 3.523 572 HA2 GLY 72 HA2 GLY 72 -9.373 -7.821 1.257 573 HA3 GLY 72 HA3 GLY 72 -8.646 -9.159 2.135 574 H VAL 73 H VAL 73 -10.828 -10.994 1.672 575 HA VAL 73 HA VAL 73 -10.077 -12.016 -0.860 576 HB VAL 73 HB VAL 73 -10.870 -13.499 0.911 577 HG11 VAL 73 HG11 VAL 73 -13.252 -13.641 1.485 578 HG12 VAL 73 HG12 VAL 73 -12.544 -12.091 1.947 579 HG13 VAL 73 HG13 VAL 73 -13.562 -12.203 0.508 580 HG21 VAL 73 HG21 VAL 73 -12.661 -13.559 -1.515 581 HG22 VAL 73 HG22 VAL 73 -11.049 -14.262 -1.393 582 HG23 VAL 73 HG23 VAL 73 -12.367 -14.906 -0.414 583 H GLU 74 H GLU 74 -12.796 -10.101 0.276 584 HA GLU 74 HA GLU 74 -14.240 -10.056 -2.151 585 HB2 GLU 74 HB2 GLU 74 -14.150 -8.100 0.150 586 HB3 GLU 74 HB3 GLU 74 -15.268 -7.966 -1.200 587 HG2 GLU 74 HG2 GLU 74 -15.100 -10.264 0.733 588 HG3 GLU 74 HG3 GLU 74 -16.325 -8.995 0.733 589 H LEU 75 H LEU 75 -11.779 -7.927 -0.761 590 HA LEU 75 HA LEU 75 -11.631 -6.022 -2.797 591 HB2 LEU 75 HB2 LEU 75 -9.336 -7.105 -1.150 592 HB3 LEU 75 HB3 LEU 75 -9.368 -5.572 -2.002 593 HG LEU 75 HG LEU 75 -11.145 -6.286 0.335 594 HD11 LEU 75 HD11 LEU 75 -8.837 -6.052 1.033 595 HD12 LEU 75 HD12 LEU 75 -8.708 -4.517 0.172 596 HD13 LEU 75 HD13 LEU 75 -9.778 -4.657 1.567 597 HD21 LEU 75 HD21 LEU 75 -10.759 -3.685 -1.142 598 HD22 LEU 75 HD22 LEU 75 -12.191 -4.711 -1.205 599 HD23 LEU 75 HD23 LEU 75 -11.742 -3.916 0.305 600 H ARG 76 H ARG 76 -10.186 -9.207 -2.518 601 HA ARG 76 HA ARG 76 -8.479 -9.184 -4.721 602 HB2 ARG 76 HB2 ARG 76 -8.603 -10.983 -3.003 603 HB3 ARG 76 HB3 ARG 76 -10.133 -11.505 -3.695 604 HG2 ARG 76 HG2 ARG 76 -8.981 -11.995 -5.813 605 HG3 ARG 76 HG3 ARG 76 -7.451 -11.534 -5.062 606 HD2 ARG 76 HD2 ARG 76 -9.260 -13.804 -4.238 607 HD3 ARG 76 HD3 ARG 76 -7.694 -13.943 -5.030 608 HE ARG 76 HE ARG 76 -7.976 -12.787 -2.333 609 HH11 ARG 76 HH11 ARG 76 -6.456 -15.022 -4.560 610 HH12 ARG 76 HH12 ARG 76 -5.280 -15.575 -3.408 611 HH21 ARG 76 HH21 ARG 76 -6.459 -13.538 -0.800 612 HH22 ARG 76 HH22 ARG 76 -5.315 -14.772 -1.247 613 H LYS 77 H LYS 77 -11.929 -9.940 -4.499 614 HA LYS 77 HA LYS 77 -12.216 -10.417 -7.319 615 HB2 LYS 77 HB2 LYS 77 -14.138 -10.142 -5.028 616 HB3 LYS 77 HB3 LYS 77 -14.730 -10.131 -6.680 617 HG2 LYS 77 HG2 LYS 77 -14.932 -12.339 -5.778 618 HG3 LYS 77 HG3 LYS 77 -13.699 -12.343 -7.036 619 HD2 LYS 77 HD2 LYS 77 -11.946 -12.354 -5.385 620 HD3 LYS 77 HD3 LYS 77 -13.118 -12.153 -4.082 621 HE2 LYS 77 HE2 LYS 77 -12.365 -14.465 -4.241 622 HE3 LYS 77 HE3 LYS 77 -14.085 -14.328 -4.599 623 HZ1 LYS 77 HZ1 LYS 77 -13.038 -15.803 -6.159 624 HZ2 LYS 77 HZ2 LYS 77 -13.524 -14.399 -6.976 625 HZ3 LYS 77 HZ3 LYS 77 -11.892 -14.630 -6.581 626 H LYS 78 H LYS 78 -12.386 -7.655 -5.234 627 HA LYS 78 HA LYS 78 -13.999 -6.042 -6.939 628 HB2 LYS 78 HB2 LYS 78 -12.275 -5.419 -4.551 629 HB3 LYS 78 HB3 LYS 78 -13.174 -4.186 -5.414 630 HG2 LYS 78 HG2 LYS 78 -15.263 -5.319 -4.896 631 HG3 LYS 78 HG3 LYS 78 -14.363 -6.591 -4.068 632 HD2 LYS 78 HD2 LYS 78 -13.548 -5.002 -2.437 633 HD3 LYS 78 HD3 LYS 78 -14.345 -3.678 -3.288 634 HE2 LYS 78 HE2 LYS 78 -15.765 -6.044 -2.074 635 HE3 LYS 78 HE3 LYS 78 -15.590 -4.475 -1.292 636 HZ1 LYS 78 HZ1 LYS 78 -17.039 -5.054 -3.823 637 HZ2 LYS 78 HZ2 LYS 78 -17.720 -4.588 -2.338 638 HZ3 LYS 78 HZ3 LYS 78 -16.765 -3.494 -3.216 639 H TYR 79 H TYR 79 -10.506 -6.167 -6.267 640 HA TYR 79 HA TYR 79 -10.130 -4.040 -8.251 641 HB2 TYR 79 HB2 TYR 79 -8.313 -5.063 -6.067 642 HB3 TYR 79 HB3 TYR 79 -7.853 -3.827 -7.236 643 HD1 TYR 79 HD1 TYR 79 -9.986 -4.584 -4.343 644 HD2 TYR 79 HD2 TYR 79 -8.769 -1.594 -7.114 645 HE1 TYR 79 HE1 TYR 79 -11.036 -2.863 -2.936 646 HE2 TYR 79 HE2 TYR 79 -9.812 0.136 -5.715 647 HH TYR 79 HH TYR 79 -11.700 0.224 -3.974 648 H GLY 80 H GLY 80 -10.098 -7.302 -8.215 649 HA2 GLY 80 HA2 GLY 80 -9.342 -8.875 -9.703 650 HA3 GLY 80 HA3 GLY 80 -9.138 -7.532 -10.815 651 H VAL 81 H VAL 81 -7.547 -9.096 -8.058 652 HA VAL 81 HA VAL 81 -4.996 -8.019 -8.485 653 HB VAL 81 HB VAL 81 -5.650 -9.149 -6.393 654 HG11 VAL 81 HG11 VAL 81 -6.910 -11.005 -7.324 655 HG12 VAL 81 HG12 VAL 81 -5.433 -11.688 -8.005 656 HG13 VAL 81 HG13 VAL 81 -5.636 -11.594 -6.256 657 HG21 VAL 81 HG21 VAL 81 -3.287 -8.818 -6.887 658 HG22 VAL 81 HG22 VAL 81 -3.530 -10.320 -5.996 659 HG23 VAL 81 HG23 VAL 81 -3.231 -10.363 -7.732 660 H HIS 82 H HIS 82 -3.292 -8.604 -9.731 661 HA HIS 82 HA HIS 82 -3.655 -10.928 -11.501 662 HB2 HIS 82 HB2 HIS 82 -2.493 -8.220 -12.170 663 HB3 HIS 82 HB3 HIS 82 -2.259 -9.638 -13.185 664 HD1 HIS 82 HD1 HIS 82 -3.800 -7.022 -14.079 665 HD2 HIS 82 HD2 HIS 82 -5.544 -10.567 -12.768 666 HE1 HIS 82 HE1 HIS 82 -6.130 -7.022 -15.016 667 HE2 HIS 82 HE2 HIS 82 -7.214 -9.101 -14.093 668 H ALA 83 H ALA 83 -1.242 -8.767 -10.043 669 HA ALA 83 HA ALA 83 0.826 -10.795 -10.312 670 HB1 ALA 83 HB1 ALA 83 1.408 -8.483 -10.798 671 HB2 ALA 83 HB2 ALA 83 0.917 -7.999 -9.176 672 HB3 ALA 83 HB3 ALA 83 2.309 -9.057 -9.396 673 H TYR 84 H TYR 84 2.271 -10.154 -7.945 674 HA TYR 84 HA TYR 84 0.684 -11.634 -5.999 675 HB2 TYR 84 HB2 TYR 84 3.567 -10.770 -5.758 676 HB3 TYR 84 HB3 TYR 84 2.733 -11.966 -4.775 677 HD1 TYR 84 HD1 TYR 84 1.715 -13.991 -6.173 678 HD2 TYR 84 HD2 TYR 84 4.928 -11.519 -7.457 679 HE1 TYR 84 HE1 TYR 84 2.470 -15.770 -7.690 680 HE2 TYR 84 HE2 TYR 84 5.695 -13.294 -8.975 681 HH TYR 84 HH TYR 84 3.786 -16.004 -9.734 682 HA PRO 85 HA PRO 85 1.243 -7.604 -3.619 683 HB2 PRO 85 HB2 PRO 85 3.027 -5.723 -4.764 684 HB3 PRO 85 HB3 PRO 85 3.320 -6.746 -3.358 685 HG2 PRO 85 HG2 PRO 85 4.649 -6.925 -5.801 686 HG3 PRO 85 HG3 PRO 85 4.615 -8.178 -4.548 687 HD2 PRO 85 HD2 PRO 85 2.982 -7.944 -7.045 688 HD3 PRO 85 HD3 PRO 85 3.670 -9.392 -6.274 689 H THR 86 H THR 86 -0.260 -6.001 -3.707 690 HA THR 86 HA THR 86 -0.702 -4.639 -6.275 691 HB THR 86 HB THR 86 -2.911 -5.711 -4.502 692 HG1 THR 86 HG1 THR 86 -1.700 -7.277 -5.822 693 HG21 THR 86 HG21 THR 86 -3.044 -4.367 -7.207 694 HG22 THR 86 HG22 THR 86 -4.412 -4.994 -6.285 695 HG23 THR 86 HG23 THR 86 -3.490 -3.623 -5.672 696 H LEU 87 H LEU 87 -0.233 -2.589 -5.873 697 HA LEU 87 HA LEU 87 -0.617 -1.444 -3.241 698 HB2 LEU 87 HB2 LEU 87 0.482 -0.311 -5.817 699 HB3 LEU 87 HB3 LEU 87 0.293 0.640 -4.358 700 HG LEU 87 HG LEU 87 1.822 -1.065 -3.226 701 HD11 LEU 87 HD11 LEU 87 2.441 -1.768 -6.091 702 HD12 LEU 87 HD12 LEU 87 3.316 -2.324 -4.662 703 HD13 LEU 87 HD13 LEU 87 1.644 -2.820 -4.923 704 HD21 LEU 87 HD21 LEU 87 3.842 0.021 -4.107 705 HD22 LEU 87 HD22 LEU 87 2.892 0.683 -5.436 706 HD23 LEU 87 HD23 LEU 87 2.551 1.174 -3.778 707 H LEU 88 H LEU 88 -2.401 -0.443 -2.628 708 HA LEU 88 HA LEU 88 -4.267 0.441 -4.732 709 HB2 LEU 88 HB2 LEU 88 -4.868 -0.609 -1.971 710 HB3 LEU 88 HB3 LEU 88 -6.068 0.088 -3.043 711 HG LEU 88 HG LEU 88 -4.483 -2.434 -3.546 712 HD11 LEU 88 HD11 LEU 88 -6.664 -3.525 -3.362 713 HD12 LEU 88 HD12 LEU 88 -6.219 -2.702 -1.869 714 HD13 LEU 88 HD13 LEU 88 -7.402 -1.976 -2.957 715 HD21 LEU 88 HD21 LEU 88 -4.900 -1.220 -5.624 716 HD22 LEU 88 HD22 LEU 88 -5.878 -2.686 -5.534 717 HD23 LEU 88 HD23 LEU 88 -6.614 -1.113 -5.225 718 H PHE 89 H PHE 89 -5.073 2.444 -4.675 719 HA PHE 89 HA PHE 89 -4.166 4.193 -2.488 720 HB2 PHE 89 HB2 PHE 89 -4.442 4.962 -5.402 721 HB3 PHE 89 HB3 PHE 89 -3.791 5.960 -4.104 722 HD1 PHE 89 HD1 PHE 89 -1.687 5.117 -2.920 723 HD2 PHE 89 HD2 PHE 89 -3.045 3.599 -6.656 724 HE1 PHE 89 HE1 PHE 89 0.560 4.227 -3.374 725 HE2 PHE 89 HE2 PHE 89 -0.801 2.705 -7.115 726 HZ PHE 89 HZ PHE 89 1.005 3.019 -5.472 727 H ILE 90 H ILE 90 -5.881 4.705 -1.335 728 HA ILE 90 HA ILE 90 -8.437 5.210 -2.705 729 HB ILE 90 HB ILE 90 -7.916 4.497 0.193 730 HG12 ILE 90 HG12 ILE 90 -9.208 2.904 -2.032 731 HG13 ILE 90 HG13 ILE 90 -7.609 2.609 -1.360 732 HG21 ILE 90 HG21 ILE 90 -10.515 4.989 -1.253 733 HG22 ILE 90 HG22 ILE 90 -10.372 4.328 0.376 734 HG23 ILE 90 HG23 ILE 90 -9.822 5.970 0.040 735 HD11 ILE 90 HD11 ILE 90 -8.598 2.048 0.787 736 HD12 ILE 90 HD12 ILE 90 -10.206 2.389 0.147 737 HD13 ILE 90 HD13 ILE 90 -9.268 1.043 -0.499 738 H ASN 91 H ASN 91 -9.279 7.222 -2.639 739 HA ASN 91 HA ASN 91 -7.804 9.243 -1.136 740 HB2 ASN 91 HB2 ASN 91 -8.828 10.890 -2.535 741 HB3 ASN 91 HB3 ASN 91 -8.305 9.580 -3.579 742 HD21 ASN 91 HD21 ASN 91 -10.230 11.562 -4.185 743 HD22 ASN 91 HD22 ASN 91 -11.735 10.753 -4.468 744 H SER 92 H SER 92 -9.420 11.128 -0.422 745 HA SER 92 HA SER 92 -10.717 10.163 1.855 746 HB2 SER 92 HB2 SER 92 -11.406 12.802 0.584 747 HB3 SER 92 HB3 SER 92 -11.278 12.400 2.296 748 HG SER 92 HG SER 92 -9.453 13.532 0.878 749 H SER 93 H SER 93 -11.878 10.726 -1.379 750 HA SER 93 HA SER 93 -14.651 10.735 -0.626 751 HB2 SER 93 HB2 SER 93 -13.726 12.058 -2.540 752 HB3 SER 93 HB3 SER 93 -13.456 10.540 -3.395 753 HG SER 93 HG SER 93 -15.416 10.898 -4.080 754 H GLY 94 H GLY 94 -12.353 8.322 -1.169 755 HA2 GLY 94 HA2 GLY 94 -12.616 6.027 -1.054 756 HA3 GLY 94 HA3 GLY 94 -14.357 6.265 -0.972 757 H GLU 95 H GLU 95 -12.529 7.705 -3.528 758 HA GLU 95 HA GLU 95 -13.811 5.893 -5.443 759 HB2 GLU 95 HB2 GLU 95 -12.560 8.623 -5.783 760 HB3 GLU 95 HB3 GLU 95 -13.151 7.646 -7.120 761 HG2 GLU 95 HG2 GLU 95 -15.387 7.767 -6.321 762 HG3 GLU 95 HG3 GLU 95 -14.868 8.508 -4.809 763 H VAL 96 H VAL 96 -12.591 4.964 -7.153 764 HA VAL 96 HA VAL 96 -9.972 4.142 -6.273 765 HB VAL 96 HB VAL 96 -11.377 3.480 -8.871 766 HG11 VAL 96 HG11 VAL 96 -8.973 3.066 -8.939 767 HG12 VAL 96 HG12 VAL 96 -9.087 2.119 -7.455 768 HG13 VAL 96 HG13 VAL 96 -9.874 1.549 -8.925 769 HG21 VAL 96 HG21 VAL 96 -11.993 1.366 -7.741 770 HG22 VAL 96 HG22 VAL 96 -11.371 2.030 -6.230 771 HG23 VAL 96 HG23 VAL 96 -12.755 2.785 -7.022 772 H VAL 97 H VAL 97 -8.455 5.681 -6.443 773 HA VAL 97 HA VAL 97 -8.359 7.523 -8.638 774 HB VAL 97 HB VAL 97 -6.296 6.997 -6.492 775 HG11 VAL 97 HG11 VAL 97 -5.482 9.255 -7.049 776 HG12 VAL 97 HG12 VAL 97 -5.319 8.127 -8.395 777 HG13 VAL 97 HG13 VAL 97 -6.622 9.315 -8.393 778 HG21 VAL 97 HG21 VAL 97 -8.411 7.667 -5.516 779 HG22 VAL 97 HG22 VAL 97 -7.243 8.984 -5.391 780 HG23 VAL 97 HG23 VAL 97 -8.510 9.041 -6.618 781 H TYR 98 H TYR 98 -6.141 4.982 -7.490 782 HA TYR 98 HA TYR 98 -5.424 4.384 -10.249 783 HB2 TYR 98 HB2 TYR 98 -3.842 6.156 -9.387 784 HB3 TYR 98 HB3 TYR 98 -3.309 5.000 -8.174 785 HD1 TYR 98 HD1 TYR 98 -3.578 5.476 -11.856 786 HD2 TYR 98 HD2 TYR 98 -1.562 3.520 -8.661 787 HE1 TYR 98 HE1 TYR 98 -1.912 4.614 -13.442 788 HE2 TYR 98 HE2 TYR 98 0.114 2.658 -10.242 789 HH TYR 98 HH TYR 98 0.352 2.185 -12.609 790 H ARG 99 H ARG 99 -4.802 2.280 -10.558 791 HA ARG 99 HA ARG 99 -4.571 0.604 -8.142 792 HB2 ARG 99 HB2 ARG 99 -5.577 -1.247 -9.406 793 HB3 ARG 99 HB3 ARG 99 -6.674 0.124 -9.314 794 HG2 ARG 99 HG2 ARG 99 -5.831 0.781 -11.601 795 HG3 ARG 99 HG3 ARG 99 -5.057 -0.803 -11.663 796 HD2 ARG 99 HD2 ARG 99 -8.001 -0.363 -11.190 797 HD3 ARG 99 HD3 ARG 99 -7.293 -0.705 -12.765 798 HE ARG 99 HE ARG 99 -7.124 -2.591 -10.496 799 HH11 ARG 99 HH11 ARG 99 -7.701 -1.862 -13.857 800 HH12 ARG 99 HH12 ARG 99 -8.026 -3.509 -14.306 801 HH21 ARG 99 HH21 ARG 99 -7.571 -4.784 -11.051 802 HH22 ARG 99 HH22 ARG 99 -7.946 -5.180 -12.706 803 H LEU 100 H LEU 100 -2.771 -0.619 -7.997 804 HA LEU 100 HA LEU 100 -1.005 -0.718 -10.350 805 HB2 LEU 100 HB2 LEU 100 -0.519 1.065 -8.503 806 HB3 LEU 100 HB3 LEU 100 0.062 -0.308 -7.571 807 HG LEU 100 HG LEU 100 1.147 0.426 -10.293 808 HD11 LEU 100 HD11 LEU 100 2.199 1.150 -7.561 809 HD12 LEU 100 HD12 LEU 100 3.040 1.415 -9.090 810 HD13 LEU 100 HD13 LEU 100 1.532 2.266 -8.753 811 HD21 LEU 100 HD21 LEU 100 2.228 -1.341 -8.095 812 HD22 LEU 100 HD22 LEU 100 1.525 -1.896 -9.615 813 HD23 LEU 100 HD23 LEU 100 3.032 -0.979 -9.623 814 H VAL 101 H VAL 101 -0.863 -2.816 -10.842 815 HA VAL 101 HA VAL 101 -0.625 -4.759 -8.655 816 HB VAL 101 HB VAL 101 -1.009 -6.488 -10.458 817 HG11 VAL 101 HG11 VAL 101 -2.767 -5.796 -8.919 818 HG12 VAL 101 HG12 VAL 101 -3.207 -4.475 -10.002 819 HG13 VAL 101 HG13 VAL 101 -3.421 -6.148 -10.516 820 HG21 VAL 101 HG21 VAL 101 -1.802 -4.070 -12.079 821 HG22 VAL 101 HG22 VAL 101 -0.430 -5.130 -12.400 822 HG23 VAL 101 HG23 VAL 101 -2.075 -5.753 -12.532 823 H GLY 102 H GLY 102 1.312 -5.501 -8.173 824 HA2 GLY 102 HA2 GLY 102 3.325 -6.651 -8.964 825 HA3 GLY 102 HA3 GLY 102 3.386 -5.483 -10.277 826 H ALA 103 H ALA 103 5.551 -5.968 -8.578 827 HA ALA 103 HA ALA 103 5.769 -3.341 -7.287 828 HB1 ALA 103 HB1 ALA 103 5.320 -4.943 -5.503 829 HB2 ALA 103 HB2 ALA 103 6.682 -5.928 -6.034 830 HB3 ALA 103 HB3 ALA 103 6.963 -4.312 -5.387 831 H GLU 104 H GLU 104 7.584 -2.307 -7.763 832 HA GLU 104 HA GLU 104 9.589 -3.690 -9.372 833 HB2 GLU 104 HB2 GLU 104 9.341 -0.746 -8.727 834 HB3 GLU 104 HB3 GLU 104 10.426 -1.464 -9.905 835 HG2 GLU 104 HG2 GLU 104 7.425 -1.403 -10.042 836 HG3 GLU 104 HG3 GLU 104 8.541 -0.434 -10.998 837 H ASP 105 H ASP 105 11.888 -2.547 -8.942 838 HA ASP 105 HA ASP 105 12.804 -3.343 -6.379 839 HB2 ASP 105 HB2 ASP 105 13.945 -2.418 -8.845 840 HB3 ASP 105 HB3 ASP 105 14.647 -1.506 -7.515 841 H ALA 106 H ALA 106 13.998 -1.804 -4.880 842 HA ALA 106 HA ALA 106 12.256 -0.063 -3.691 843 HB1 ALA 106 HB1 ALA 106 15.257 0.155 -3.580 844 HB2 ALA 106 HB2 ALA 106 14.114 0.819 -2.415 845 HB3 ALA 106 HB3 ALA 106 14.263 -0.928 -2.607 846 HA PRO 107 HA PRO 107 14.295 3.815 -5.857 847 HB2 PRO 107 HB2 PRO 107 15.235 2.631 -8.400 848 HB3 PRO 107 HB3 PRO 107 16.005 3.841 -7.370 849 HG2 PRO 107 HG2 PRO 107 16.923 1.333 -7.498 850 HG3 PRO 107 HG3 PRO 107 16.948 2.254 -5.985 851 HD2 PRO 107 HD2 PRO 107 15.078 0.095 -6.862 852 HD3 PRO 107 HD3 PRO 107 15.772 0.405 -5.259 853 H GLU 108 H GLU 108 13.147 1.276 -8.066 854 HA GLU 108 HA GLU 108 11.677 3.093 -9.688 855 HB2 GLU 108 HB2 GLU 108 11.651 0.082 -9.527 856 HB3 GLU 108 HB3 GLU 108 10.790 1.016 -10.736 857 HG2 GLU 108 HG2 GLU 108 12.953 1.972 -11.472 858 HG3 GLU 108 HG3 GLU 108 13.765 0.893 -10.336 859 H LEU 109 H LEU 109 10.948 1.175 -6.873 860 HA LEU 109 HA LEU 109 8.171 1.045 -6.981 861 HB2 LEU 109 HB2 LEU 109 9.973 0.237 -5.193 862 HB3 LEU 109 HB3 LEU 109 9.505 1.721 -4.391 863 HG LEU 109 HG LEU 109 8.301 -0.203 -3.489 864 HD11 LEU 109 HD11 LEU 109 7.144 1.927 -3.426 865 HD12 LEU 109 HD12 LEU 109 6.490 1.642 -5.038 866 HD13 LEU 109 HD13 LEU 109 5.997 0.612 -3.694 867 HD21 LEU 109 HD21 LEU 109 7.230 -0.533 -6.283 868 HD22 LEU 109 HD22 LEU 109 8.306 -1.637 -5.427 869 HD23 LEU 109 HD23 LEU 109 6.654 -1.401 -4.859 870 H LEU 110 H LEU 110 10.287 3.610 -5.791 871 HA LEU 110 HA LEU 110 8.239 5.360 -4.941 872 HB2 LEU 110 HB2 LEU 110 10.556 5.491 -4.141 873 HB3 LEU 110 HB3 LEU 110 11.087 5.963 -5.744 874 HG LEU 110 HG LEU 110 9.742 8.036 -5.550 875 HD11 LEU 110 HD11 LEU 110 8.860 8.686 -3.366 876 HD12 LEU 110 HD12 LEU 110 8.061 7.234 -3.974 877 HD13 LEU 110 HD13 LEU 110 9.293 7.103 -2.719 878 HD21 LEU 110 HD21 LEU 110 11.220 9.156 -3.969 879 HD22 LEU 110 HD22 LEU 110 11.711 7.596 -3.310 880 HD23 LEU 110 HD23 LEU 110 12.121 8.018 -4.973 881 H LYS 111 H LYS 111 10.050 5.095 -7.985 882 HA LYS 111 HA LYS 111 8.928 7.442 -9.129 883 HB2 LYS 111 HB2 LYS 111 10.391 5.089 -10.284 884 HB3 LYS 111 HB3 LYS 111 9.688 6.318 -11.325 885 HG2 LYS 111 HG2 LYS 111 11.021 8.018 -10.042 886 HG3 LYS 111 HG3 LYS 111 11.854 6.664 -9.272 887 HD2 LYS 111 HD2 LYS 111 12.700 5.895 -11.358 888 HD3 LYS 111 HD3 LYS 111 11.672 7.011 -12.256 889 HE2 LYS 111 HE2 LYS 111 12.906 8.898 -11.241 890 HE3 LYS 111 HE3 LYS 111 13.971 7.737 -10.447 891 HZ1 LYS 111 HZ1 LYS 111 14.701 6.950 -12.595 892 HZ2 LYS 111 HZ2 LYS 111 13.623 7.994 -13.391 893 HZ3 LYS 111 HZ3 LYS 111 14.920 8.628 -12.502 894 H LYS 112 H LYS 112 8.063 4.026 -9.262 895 HA LYS 112 HA LYS 112 6.140 4.216 -11.310 896 HB2 LYS 112 HB2 LYS 112 7.268 2.135 -10.198 897 HB3 LYS 112 HB3 LYS 112 5.910 2.219 -9.083 898 HG2 LYS 112 HG2 LYS 112 4.389 2.123 -11.063 899 HG3 LYS 112 HG3 LYS 112 5.813 1.808 -12.057 900 HD2 LYS 112 HD2 LYS 112 6.304 -0.141 -10.545 901 HD3 LYS 112 HD3 LYS 112 4.716 0.117 -9.821 902 HE2 LYS 112 HE2 LYS 112 4.391 -1.554 -11.438 903 HE3 LYS 112 HE3 LYS 112 3.781 -0.072 -12.175 904 HZ1 LYS 112 HZ1 LYS 112 5.070 -1.184 -13.791 905 HZ2 LYS 112 HZ2 LYS 112 6.012 0.131 -13.271 906 HZ3 LYS 112 HZ3 LYS 112 6.359 -1.436 -12.718 907 H VAL 113 H VAL 113 5.832 4.397 -7.770 908 HA VAL 113 HA VAL 113 3.000 4.696 -7.825 909 HB VAL 113 HB VAL 113 4.099 3.856 -5.817 910 HG11 VAL 113 HG11 VAL 113 5.283 6.613 -5.550 911 HG12 VAL 113 HG12 VAL 113 5.351 5.345 -4.324 912 HG13 VAL 113 HG13 VAL 113 6.162 5.119 -5.874 913 HG21 VAL 113 HG21 VAL 113 2.705 6.485 -5.342 914 HG22 VAL 113 HG22 VAL 113 1.930 4.915 -5.569 915 HG23 VAL 113 HG23 VAL 113 2.933 5.208 -4.147 916 H LYS 114 H LYS 114 5.710 6.951 -7.765 917 HA LYS 114 HA LYS 114 4.209 9.293 -7.291 918 HB2 LYS 114 HB2 LYS 114 6.640 9.163 -6.997 919 HB3 LYS 114 HB3 LYS 114 6.848 8.944 -8.728 920 HG2 LYS 114 HG2 LYS 114 7.377 11.187 -8.191 921 HG3 LYS 114 HG3 LYS 114 5.825 11.200 -9.033 922 HD2 LYS 114 HD2 LYS 114 4.673 11.831 -7.191 923 HD3 LYS 114 HD3 LYS 114 5.753 10.971 -6.089 924 HE2 LYS 114 HE2 LYS 114 5.916 13.380 -5.819 925 HE3 LYS 114 HE3 LYS 114 7.436 12.688 -6.359 926 HZ1 LYS 114 HZ1 LYS 114 7.094 13.505 -8.535 927 HZ2 LYS 114 HZ2 LYS 114 5.482 13.923 -8.222 928 HZ3 LYS 114 HZ3 LYS 114 6.739 14.799 -7.499 929 H LEU 115 H LEU 115 5.461 7.900 -10.316 930 HA LEU 115 HA LEU 115 4.237 9.836 -11.996 931 HB2 LEU 115 HB2 LEU 115 6.210 8.470 -12.616 932 HB3 LEU 115 HB3 LEU 115 5.185 7.051 -12.676 933 HG LEU 115 HG LEU 115 3.892 8.108 -14.516 934 HD11 LEU 115 HD11 LEU 115 4.343 10.440 -14.019 935 HD12 LEU 115 HD12 LEU 115 6.056 10.203 -14.370 936 HD13 LEU 115 HD13 LEU 115 4.862 10.051 -15.659 937 HD21 LEU 115 HD21 LEU 115 6.859 7.841 -14.993 938 HD22 LEU 115 HD22 LEU 115 5.684 6.526 -14.993 939 HD23 LEU 115 HD23 LEU 115 5.604 7.778 -16.231 940 H GLY 116 H GLY 116 3.165 6.862 -10.574 941 HA2 GLY 116 HA2 GLY 116 0.932 6.461 -12.326 942 HA3 GLY 116 HA3 GLY 116 1.226 5.642 -10.799 943 H VAL 117 H VAL 117 1.284 7.745 -9.023 944 HA VAL 117 HA VAL 117 -1.516 8.225 -8.730 945 HB VAL 117 HB VAL 117 0.824 9.257 -7.113 946 HG11 VAL 117 HG11 VAL 117 -1.106 10.749 -6.886 947 HG12 VAL 117 HG12 VAL 117 -2.123 9.370 -6.469 948 HG13 VAL 117 HG13 VAL 117 -0.807 9.852 -5.396 949 HG21 VAL 117 HG21 VAL 117 -1.147 7.033 -6.593 950 HG22 VAL 117 HG22 VAL 117 0.550 6.836 -7.030 951 HG23 VAL 117 HG23 VAL 117 0.117 7.566 -5.484 952 H GLU 118 H GLU 118 1.234 10.195 -9.744 953 HA GLU 118 HA GLU 118 -0.383 12.585 -9.876 954 HB2 GLU 118 HB2 GLU 118 2.405 12.045 -10.906 955 HB3 GLU 118 HB3 GLU 118 1.612 13.612 -10.928 956 HG2 GLU 118 HG2 GLU 118 1.453 13.483 -8.447 957 HG3 GLU 118 HG3 GLU 118 2.428 12.015 -8.517 958 H SER 119 H SER 119 -2.047 12.122 -11.294 959 HA SER 119 HA SER 119 -1.252 11.697 -14.089 960 HB2 SER 119 HB2 SER 119 -4.000 11.468 -12.833 961 HB3 SER 119 HB3 SER 119 -3.576 11.061 -14.498 962 HG SER 119 HG SER 119 -3.136 9.659 -12.144 963 H GLU 120 H GLU 120 -0.916 13.558 -15.093 964 HA GLU 120 HA GLU 120 -2.231 15.982 -14.194 965 HB2 GLU 120 HB2 GLU 120 -0.217 15.545 -16.403 966 HB3 GLU 120 HB3 GLU 120 -0.746 17.104 -15.785 967 HG2 GLU 120 HG2 GLU 120 0.286 16.731 -13.690 968 HG3 GLU 120 HG3 GLU 120 0.580 15.032 -14.066 969 H GLY 121 H GLY 121 -3.522 17.306 -15.455 970 HA2 GLY 121 HA2 GLY 121 -4.246 16.609 -18.141 971 HA3 GLY 121 HA3 GLY 121 -5.506 16.204 -16.981 Start of MODEL 4 1 H ALA 1 H ALA 1 5.298 0.857 17.756 2 HA ALA 1 HA ALA 1 5.748 -0.236 15.041 3 HB1 ALA 1 HB1 ALA 1 3.998 1.488 15.132 4 HB2 ALA 1 HB2 ALA 1 5.138 2.584 15.911 5 HB3 ALA 1 HB3 ALA 1 5.431 2.037 14.261 6 H GLN 2 H GLN 2 7.587 0.808 13.961 7 HA GLN 2 HA GLN 2 9.655 1.782 15.832 8 HB2 GLN 2 HB2 GLN 2 10.007 0.016 13.397 9 HB3 GLN 2 HB3 GLN 2 11.329 0.747 14.291 10 HG2 GLN 2 HG2 GLN 2 10.789 -0.542 16.247 11 HG3 GLN 2 HG3 GLN 2 9.351 -1.196 15.460 12 HE21 GLN 2 HE21 GLN 2 12.829 -1.241 15.590 13 HE22 GLN 2 HE22 GLN 2 13.046 -2.691 14.657 14 H ALA 3 H ALA 3 11.434 2.968 14.492 15 HA ALA 3 HA ALA 3 10.068 4.900 12.792 16 HB1 ALA 3 HB1 ALA 3 12.123 6.223 12.988 17 HB2 ALA 3 HB2 ALA 3 11.497 5.762 14.571 18 HB3 ALA 3 HB3 ALA 3 12.881 4.908 13.886 19 H ASP 4 H ASP 4 12.908 2.775 12.698 20 HA ASP 4 HA ASP 4 13.225 3.185 9.848 21 HB2 ASP 4 HB2 ASP 4 14.661 1.290 11.720 22 HB3 ASP 4 HB3 ASP 4 15.103 1.609 10.045 23 H GLY 5 H GLY 5 11.750 2.296 8.620 24 HA2 GLY 5 HA2 GLY 5 10.965 0.203 7.605 25 HA3 GLY 5 HA3 GLY 5 10.856 -0.448 9.239 26 H ILE 6 H ILE 6 9.045 0.729 6.784 27 HA ILE 6 HA ILE 6 7.378 2.642 7.958 28 HB ILE 6 HB ILE 6 6.634 0.684 5.781 29 HG12 ILE 6 HG12 ILE 6 7.840 3.455 5.626 30 HG13 ILE 6 HG13 ILE 6 8.655 1.951 5.216 31 HG21 ILE 6 HG21 ILE 6 4.992 2.398 5.145 32 HG22 ILE 6 HG22 ILE 6 4.702 1.783 6.772 33 HG23 ILE 6 HG23 ILE 6 5.463 3.357 6.549 34 HD11 ILE 6 HD11 ILE 6 6.248 3.066 3.800 35 HD12 ILE 6 HD12 ILE 6 7.917 3.172 3.238 36 HD13 ILE 6 HD13 ILE 6 7.127 1.600 3.371 37 H ALA 7 H ALA 7 6.065 2.469 9.600 38 HA ALA 7 HA ALA 7 5.128 -0.075 10.548 39 HB1 ALA 7 HB1 ALA 7 4.039 1.208 12.305 40 HB2 ALA 7 HB2 ALA 7 5.710 1.734 12.100 41 HB3 ALA 7 HB3 ALA 7 4.392 2.709 11.450 42 H PHE 8 H PHE 8 3.818 -0.959 8.999 43 HA PHE 8 HA PHE 8 1.653 0.454 7.813 44 HB2 PHE 8 HB2 PHE 8 2.532 -2.400 7.889 45 HB3 PHE 8 HB3 PHE 8 0.888 -2.038 7.371 46 HD1 PHE 8 HD1 PHE 8 4.419 -1.036 6.705 47 HD2 PHE 8 HD2 PHE 8 0.487 -1.543 5.161 48 HE1 PHE 8 HE1 PHE 8 5.241 -0.509 4.448 49 HE2 PHE 8 HE2 PHE 8 1.302 -1.016 2.900 50 HZ PHE 8 HZ PHE 8 3.683 -0.498 2.541 51 H ARG 9 H ARG 9 -0.336 0.747 8.476 52 HA ARG 9 HA ARG 9 -0.974 0.190 11.224 53 HB2 ARG 9 HB2 ARG 9 -2.802 1.387 9.134 54 HB3 ARG 9 HB3 ARG 9 -2.865 1.612 10.875 55 HG2 ARG 9 HG2 ARG 9 -0.505 2.535 9.281 56 HG3 ARG 9 HG3 ARG 9 -1.958 3.521 9.424 57 HD2 ARG 9 HD2 ARG 9 -0.514 2.432 11.823 58 HD3 ARG 9 HD3 ARG 9 -0.070 3.965 11.075 59 HE ARG 9 HE ARG 9 -2.632 3.372 12.406 60 HH11 ARG 9 HH11 ARG 9 -0.328 5.674 11.093 61 HH12 ARG 9 HH12 ARG 9 -1.164 7.062 11.729 62 HH21 ARG 9 HH21 ARG 9 -3.722 5.196 13.244 63 HH22 ARG 9 HH22 ARG 9 -3.101 6.797 12.941 64 H GLU 10 H GLU 10 -2.313 -1.361 11.987 65 HA GLU 10 HA GLU 10 -3.700 -3.053 10.034 66 HB2 GLU 10 HB2 GLU 10 -2.234 -4.201 11.653 67 HB3 GLU 10 HB3 GLU 10 -3.165 -3.518 12.977 68 HG2 GLU 10 HG2 GLU 10 -5.079 -4.799 12.403 69 HG3 GLU 10 HG3 GLU 10 -4.352 -5.320 10.883 70 H LEU 11 H LEU 11 -5.533 -1.975 9.553 71 HA LEU 11 HA LEU 11 -7.383 -1.361 11.732 72 HB2 LEU 11 HB2 LEU 11 -6.514 0.413 9.466 73 HB3 LEU 11 HB3 LEU 11 -8.015 0.665 10.318 74 HG LEU 11 HG LEU 11 -5.298 0.695 11.624 75 HD11 LEU 11 HD11 LEU 11 -5.548 3.112 11.717 76 HD12 LEU 11 HD12 LEU 11 -5.564 2.554 10.045 77 HD13 LEU 11 HD13 LEU 11 -7.073 3.005 10.838 78 HD21 LEU 11 HD21 LEU 11 -7.112 0.083 13.136 79 HD22 LEU 11 HD22 LEU 11 -6.491 1.691 13.507 80 HD23 LEU 11 HD23 LEU 11 -8.017 1.515 12.640 81 H SER 12 H SER 12 -9.621 -1.017 10.894 82 HA SER 12 HA SER 12 -10.314 -2.978 8.904 83 HB2 SER 12 HB2 SER 12 -11.696 -2.563 10.942 84 HB3 SER 12 HB3 SER 12 -12.064 -0.952 10.329 85 HG SER 12 HG SER 12 -12.617 -3.264 8.791 86 H PHE 13 H PHE 13 -11.814 -2.357 7.094 87 HA PHE 13 HA PHE 13 -10.495 -0.689 5.307 88 HB2 PHE 13 HB2 PHE 13 -12.053 -2.532 4.702 89 HB3 PHE 13 HB3 PHE 13 -13.402 -1.514 5.183 90 HD1 PHE 13 HD1 PHE 13 -14.055 0.407 3.821 91 HD2 PHE 13 HD2 PHE 13 -10.885 -2.178 2.641 92 HE1 PHE 13 HE1 PHE 13 -14.167 1.322 1.540 93 HE2 PHE 13 HE2 PHE 13 -10.994 -1.270 0.357 94 HZ PHE 13 HZ PHE 13 -12.634 0.481 -0.197 95 HA PRO 14 HA PRO 14 -13.816 2.788 5.904 96 HB2 PRO 14 HB2 PRO 14 -15.358 2.669 8.158 97 HB3 PRO 14 HB3 PRO 14 -15.872 2.046 6.587 98 HG2 PRO 14 HG2 PRO 14 -14.737 0.580 8.933 99 HG3 PRO 14 HG3 PRO 14 -16.068 0.115 7.859 100 HD2 PRO 14 HD2 PRO 14 -13.594 -0.926 7.612 101 HD3 PRO 14 HD3 PRO 14 -14.638 -0.635 6.207 102 H GLU 15 H GLU 15 -12.578 1.331 8.868 103 HA GLU 15 HA GLU 15 -12.178 3.618 10.397 104 HB2 GLU 15 HB2 GLU 15 -10.604 1.042 10.304 105 HB3 GLU 15 HB3 GLU 15 -10.440 2.258 11.558 106 HG2 GLU 15 HG2 GLU 15 -12.956 0.733 10.924 107 HG3 GLU 15 HG3 GLU 15 -11.841 0.366 12.240 108 H ALA 16 H ALA 16 -9.881 1.891 8.302 109 HA ALA 16 HA ALA 16 -7.708 3.578 8.800 110 HB1 ALA 16 HB1 ALA 16 -7.508 1.316 7.863 111 HB2 ALA 16 HB2 ALA 16 -8.193 1.898 6.346 112 HB3 ALA 16 HB3 ALA 16 -6.639 2.516 6.908 113 H LEU 17 H LEU 17 -10.193 3.667 6.297 114 HA LEU 17 HA LEU 17 -9.129 5.684 4.676 115 HB2 LEU 17 HB2 LEU 17 -11.114 4.282 4.156 116 HB3 LEU 17 HB3 LEU 17 -12.033 5.191 5.333 117 HG LEU 17 HG LEU 17 -11.767 7.227 4.005 118 HD11 LEU 17 HD11 LEU 17 -10.333 5.460 2.028 119 HD12 LEU 17 HD12 LEU 17 -10.787 7.146 1.777 120 HD13 LEU 17 HD13 LEU 17 -9.595 6.727 3.007 121 HD21 LEU 17 HD21 LEU 17 -13.709 5.831 3.595 122 HD22 LEU 17 HD22 LEU 17 -13.157 6.564 2.090 123 HD23 LEU 17 HD23 LEU 17 -12.798 4.871 2.430 124 H LYS 18 H LYS 18 -11.439 5.932 7.344 125 HA LYS 18 HA LYS 18 -11.641 8.713 7.398 126 HB2 LYS 18 HB2 LYS 18 -13.239 7.185 8.406 127 HB3 LYS 18 HB3 LYS 18 -12.029 6.648 9.558 128 HG2 LYS 18 HG2 LYS 18 -12.048 8.703 10.687 129 HG3 LYS 18 HG3 LYS 18 -12.967 9.485 9.394 130 HD2 LYS 18 HD2 LYS 18 -14.094 7.111 10.814 131 HD3 LYS 18 HD3 LYS 18 -14.179 8.701 11.551 132 HE2 LYS 18 HE2 LYS 18 -16.226 8.304 10.354 133 HE3 LYS 18 HE3 LYS 18 -15.308 9.546 9.510 134 HZ1 LYS 18 HZ1 LYS 18 -14.544 7.822 7.947 135 HZ2 LYS 18 HZ2 LYS 18 -15.519 6.679 8.738 136 HZ3 LYS 18 HZ3 LYS 18 -16.227 7.993 7.939 137 H ARG 19 H ARG 19 -9.487 6.503 9.138 138 HA ARG 19 HA ARG 19 -8.234 8.355 10.808 139 HB2 ARG 19 HB2 ARG 19 -7.112 5.864 9.513 140 HB3 ARG 19 HB3 ARG 19 -6.314 6.762 10.792 141 HG2 ARG 19 HG2 ARG 19 -8.994 5.420 11.019 142 HG3 ARG 19 HG3 ARG 19 -7.468 4.783 11.634 143 HD2 ARG 19 HD2 ARG 19 -7.260 6.741 13.099 144 HD3 ARG 19 HD3 ARG 19 -8.799 7.352 12.491 145 HE ARG 19 HE ARG 19 -9.522 4.950 13.382 146 HH11 ARG 19 HH11 ARG 19 -7.498 7.376 14.884 147 HH12 ARG 19 HH12 ARG 19 -7.975 6.960 16.501 148 HH21 ARG 19 HH21 ARG 19 -10.131 4.377 15.472 149 HH22 ARG 19 HH22 ARG 19 -9.461 5.214 16.842 150 H ALA 20 H ALA 20 -7.531 7.427 7.472 151 HA ALA 20 HA ALA 20 -5.156 8.906 7.158 152 HB1 ALA 20 HB1 ALA 20 -5.529 8.676 4.760 153 HB2 ALA 20 HB2 ALA 20 -5.851 7.156 5.595 154 HB3 ALA 20 HB3 ALA 20 -7.193 8.168 5.057 155 H GLU 21 H GLU 21 -8.536 9.759 6.546 156 HA GLU 21 HA GLU 21 -8.153 12.241 5.351 157 HB2 GLU 21 HB2 GLU 21 -10.383 11.410 7.213 158 HB3 GLU 21 HB3 GLU 21 -10.423 12.792 6.127 159 HG2 GLU 21 HG2 GLU 21 -10.197 11.246 4.216 160 HG3 GLU 21 HG3 GLU 21 -10.276 9.892 5.345 161 H VAL 22 H VAL 22 -8.252 11.362 8.760 162 HA VAL 22 HA VAL 22 -8.157 14.156 9.565 163 HB VAL 22 HB VAL 22 -8.267 11.643 11.235 164 HG11 VAL 22 HG11 VAL 22 -7.252 13.446 12.498 165 HG12 VAL 22 HG12 VAL 22 -8.562 14.535 12.044 166 HG13 VAL 22 HG13 VAL 22 -8.889 13.150 13.086 167 HG21 VAL 22 HG21 VAL 22 -10.267 11.968 9.885 168 HG22 VAL 22 HG22 VAL 22 -10.614 12.247 11.590 169 HG23 VAL 22 HG23 VAL 22 -10.425 13.615 10.494 170 H GLU 23 H GLU 23 -6.090 11.260 9.925 171 HA GLU 23 HA GLU 23 -4.293 12.740 11.644 172 HB2 GLU 23 HB2 GLU 23 -4.925 10.373 12.069 173 HB3 GLU 23 HB3 GLU 23 -4.061 9.913 10.611 174 HG2 GLU 23 HG2 GLU 23 -1.979 10.769 11.592 175 HG3 GLU 23 HG3 GLU 23 -2.859 11.171 13.067 176 H ASP 24 H ASP 24 -4.272 11.466 8.347 177 HA ASP 24 HA ASP 24 -1.744 12.851 7.911 178 HB2 ASP 24 HB2 ASP 24 -2.164 9.925 7.317 179 HB3 ASP 24 HB3 ASP 24 -0.833 10.878 6.668 180 H LYS 25 H LYS 25 -2.030 10.846 5.436 181 HA LYS 25 HA LYS 25 -3.959 12.298 3.860 182 HB2 LYS 25 HB2 LYS 25 -2.001 13.819 3.887 183 HB3 LYS 25 HB3 LYS 25 -1.004 12.516 3.237 184 HG2 LYS 25 HG2 LYS 25 -2.695 12.482 1.299 185 HG3 LYS 25 HG3 LYS 25 -3.185 14.067 1.901 186 HD2 LYS 25 HD2 LYS 25 -0.788 14.767 1.758 187 HD3 LYS 25 HD3 LYS 25 -0.451 13.235 0.949 188 HE2 LYS 25 HE2 LYS 25 -0.748 14.920 -0.725 189 HE3 LYS 25 HE3 LYS 25 -2.144 13.843 -0.769 190 HZ1 LYS 25 HZ1 LYS 25 -2.843 16.135 -0.915 191 HZ2 LYS 25 HZ2 LYS 25 -3.375 15.475 0.555 192 HZ3 LYS 25 HZ3 LYS 25 -2.033 16.512 0.527 193 H LEU 26 H LEU 26 -4.798 10.893 2.459 194 HA LEU 26 HA LEU 26 -5.023 9.270 0.901 195 HB2 LEU 26 HB2 LEU 26 -2.010 9.355 0.818 196 HB3 LEU 26 HB3 LEU 26 -3.008 8.445 -0.297 197 HG LEU 26 HG LEU 26 -3.064 11.448 0.012 198 HD11 LEU 26 HD11 LEU 26 -0.968 10.669 -0.962 199 HD12 LEU 26 HD12 LEU 26 -1.866 9.723 -2.150 200 HD13 LEU 26 HD13 LEU 26 -1.965 11.484 -2.167 201 HD21 LEU 26 HD21 LEU 26 -5.209 10.534 -0.698 202 HD22 LEU 26 HD22 LEU 26 -4.421 11.388 -2.025 203 HD23 LEU 26 HD23 LEU 26 -4.410 9.625 -1.980 204 H LEU 27 H LEU 27 -5.320 7.097 0.842 205 HA LEU 27 HA LEU 27 -4.159 5.605 3.087 206 HB2 LEU 27 HB2 LEU 27 -6.644 5.746 2.945 207 HB3 LEU 27 HB3 LEU 27 -6.569 4.908 1.407 208 HG LEU 27 HG LEU 27 -5.624 2.933 2.515 209 HD11 LEU 27 HD11 LEU 27 -5.585 2.809 4.966 210 HD12 LEU 27 HD12 LEU 27 -4.459 4.020 4.352 211 HD13 LEU 27 HD13 LEU 27 -5.998 4.523 5.053 212 HD21 LEU 27 HD21 LEU 27 -8.017 3.054 2.248 213 HD22 LEU 27 HD22 LEU 27 -7.635 2.304 3.800 214 HD23 LEU 27 HD23 LEU 27 -8.167 3.984 3.739 215 H PHE 28 H PHE 28 -2.382 4.596 2.494 216 HA PHE 28 HA PHE 28 -2.088 3.528 -0.205 217 HB2 PHE 28 HB2 PHE 28 -0.196 4.751 0.755 218 HB3 PHE 28 HB3 PHE 28 -0.164 3.665 2.137 219 HD1 PHE 28 HD1 PHE 28 0.737 1.424 1.935 220 HD2 PHE 28 HD2 PHE 28 0.675 4.078 -1.392 221 HE1 PHE 28 HE1 PHE 28 2.322 -0.034 0.748 222 HE2 PHE 28 HE2 PHE 28 2.265 2.626 -2.584 223 HZ PHE 28 HZ PHE 28 3.085 0.563 -1.512 224 H VAL 29 H VAL 29 -3.209 1.662 -0.423 225 HA VAL 29 HA VAL 29 -3.239 -0.227 1.805 226 HB VAL 29 HB VAL 29 -4.790 -0.324 -0.787 227 HG11 VAL 29 HG11 VAL 29 -4.504 -2.517 0.225 228 HG12 VAL 29 HG12 VAL 29 -5.101 -1.899 1.767 229 HG13 VAL 29 HG13 VAL 29 -6.177 -1.979 0.371 230 HG21 VAL 29 HG21 VAL 29 -5.654 0.606 1.950 231 HG22 VAL 29 HG22 VAL 29 -5.419 1.624 0.528 232 HG23 VAL 29 HG23 VAL 29 -6.706 0.418 0.547 233 H ASP 30 H ASP 30 -1.717 -1.730 1.851 234 HA ASP 30 HA ASP 30 -0.641 -2.742 -0.687 235 HB2 ASP 30 HB2 ASP 30 1.042 -2.013 0.938 236 HB3 ASP 30 HB3 ASP 30 0.373 -3.111 2.142 237 H CYS 31 H CYS 31 -1.870 -4.316 -1.448 238 HA CYS 31 HA CYS 31 -2.957 -6.331 0.366 239 HB2 CYS 31 HB2 CYS 31 -3.347 -5.952 -2.613 240 HB3 CYS 31 HB3 CYS 31 -4.156 -7.167 -1.628 241 HG CYS 31 HG CYS 31 -5.543 -5.274 -0.073 242 H PHE 32 H PHE 32 -1.692 -7.972 0.834 243 HA PHE 32 HA PHE 32 0.124 -8.969 -1.251 244 HB2 PHE 32 HB2 PHE 32 1.601 -9.731 0.613 245 HB3 PHE 32 HB3 PHE 32 1.438 -7.984 0.519 246 HD1 PHE 32 HD1 PHE 32 0.127 -6.768 2.200 247 HD2 PHE 32 HD2 PHE 32 0.800 -10.958 2.504 248 HE1 PHE 32 HE1 PHE 32 -0.547 -6.700 4.564 249 HE2 PHE 32 HE2 PHE 32 0.127 -10.897 4.871 250 HZ PHE 32 HZ PHE 32 -0.551 -8.767 5.903 251 H THR 33 H THR 33 0.428 -11.232 -1.354 252 HA THR 33 HA THR 33 -1.764 -12.783 -0.190 253 HB THR 33 HB THR 33 -0.960 -14.602 -1.690 254 HG1 THR 33 HG1 THR 33 1.246 -13.311 -1.742 255 HG21 THR 33 HG21 THR 33 -1.471 -11.971 -3.084 256 HG22 THR 33 HG22 THR 33 -1.665 -13.570 -3.800 257 HG23 THR 33 HG23 THR 33 -2.704 -13.069 -2.465 258 H THR 34 H THR 34 -1.052 -15.105 0.474 259 HA THR 34 HA THR 34 0.774 -14.798 2.635 260 HB THR 34 HB THR 34 -0.448 -17.342 1.540 261 HG1 THR 34 HG1 THR 34 -2.229 -16.477 2.304 262 HG21 THR 34 HG21 THR 34 0.717 -16.719 4.258 263 HG22 THR 34 HG22 THR 34 -0.078 -18.224 3.802 264 HG23 THR 34 HG23 THR 34 1.447 -17.766 3.041 265 H TRP 35 H TRP 35 1.053 -15.865 -0.644 266 HA TRP 35 HA TRP 35 3.521 -17.248 -0.415 267 HB2 TRP 35 HB2 TRP 35 2.385 -15.773 -2.803 268 HB3 TRP 35 HB3 TRP 35 3.691 -16.951 -2.843 269 HD1 TRP 35 HD1 TRP 35 2.821 -19.482 -1.731 270 HE1 TRP 35 HE1 TRP 35 0.680 -20.746 -2.393 271 HE3 TRP 35 HE3 TRP 35 0.162 -15.587 -3.680 272 HZ2 TRP 35 HZ2 TRP 35 -1.811 -20.160 -3.586 273 HZ3 TRP 35 HZ3 TRP 35 -2.090 -16.018 -4.566 274 HH2 TRP 35 HH2 TRP 35 -3.055 -18.260 -4.520 275 H CYS 36 H CYS 36 5.483 -16.434 0.000 276 HA CYS 36 HA CYS 36 5.815 -13.533 -0.150 277 HB2 CYS 36 HB2 CYS 36 7.837 -13.958 1.278 278 HB3 CYS 36 HB3 CYS 36 6.304 -14.397 2.019 279 HG CYS 36 HG CYS 36 8.852 -16.169 2.100 280 H GLY 37 H GLY 37 6.858 -12.676 -1.761 281 HA2 GLY 37 HA2 GLY 37 9.347 -13.730 -2.710 282 HA3 GLY 37 HA3 GLY 37 8.055 -13.905 -3.886 283 HA PRO 38 HA PRO 38 8.705 -9.808 -5.423 284 HB2 PRO 38 HB2 PRO 38 5.754 -9.489 -5.246 285 HB3 PRO 38 HB3 PRO 38 6.828 -9.274 -6.631 286 HG2 PRO 38 HG2 PRO 38 5.255 -11.420 -6.421 287 HG3 PRO 38 HG3 PRO 38 6.883 -11.528 -7.111 288 HD2 PRO 38 HD2 PRO 38 5.903 -12.394 -4.431 289 HD3 PRO 38 HD3 PRO 38 7.146 -13.114 -5.471 290 H CYS 39 H CYS 39 6.287 -10.118 -2.811 291 HA CYS 39 HA CYS 39 6.460 -7.389 -2.028 292 HB2 CYS 39 HB2 CYS 39 5.515 -9.749 -0.388 293 HB3 CYS 39 HB3 CYS 39 5.159 -8.051 -0.084 294 HG CYS 39 HG CYS 39 3.123 -7.831 -1.648 295 H LYS 40 H LYS 40 8.413 -10.157 -1.399 296 HA LYS 40 HA LYS 40 9.504 -9.312 1.096 297 HB2 LYS 40 HB2 LYS 40 9.541 -11.674 0.150 298 HB3 LYS 40 HB3 LYS 40 10.834 -11.136 -0.912 299 HG2 LYS 40 HG2 LYS 40 11.774 -12.247 0.986 300 HG3 LYS 40 HG3 LYS 40 12.165 -10.528 1.077 301 HD2 LYS 40 HD2 LYS 40 10.294 -10.207 2.646 302 HD3 LYS 40 HD3 LYS 40 9.955 -11.937 2.575 303 HE2 LYS 40 HE2 LYS 40 12.203 -12.393 3.458 304 HE3 LYS 40 HE3 LYS 40 12.493 -10.657 3.578 305 HZ1 LYS 40 HZ1 LYS 40 11.818 -11.586 5.702 306 HZ2 LYS 40 HZ2 LYS 40 10.647 -10.496 5.138 307 HZ3 LYS 40 HZ3 LYS 40 10.377 -12.168 5.023 308 H ARG 41 H ARG 41 10.224 -8.713 -2.260 309 HA ARG 41 HA ARG 41 12.732 -7.487 -2.029 310 HB2 ARG 41 HB2 ARG 41 10.428 -7.035 -3.930 311 HB3 ARG 41 HB3 ARG 41 11.963 -6.204 -4.087 312 HG2 ARG 41 HG2 ARG 41 11.680 -9.184 -4.091 313 HG3 ARG 41 HG3 ARG 41 11.713 -8.185 -5.545 314 HD2 ARG 41 HD2 ARG 41 13.888 -8.426 -3.472 315 HD3 ARG 41 HD3 ARG 41 13.916 -9.066 -5.111 316 HE ARG 41 HE ARG 41 13.500 -6.345 -5.353 317 HH11 ARG 41 HH11 ARG 41 15.979 -8.462 -4.079 318 HH12 ARG 41 HH12 ARG 41 17.279 -7.346 -4.387 319 HH21 ARG 41 HH21 ARG 41 15.201 -4.855 -5.759 320 HH22 ARG 41 HH22 ARG 41 16.836 -5.304 -5.363 321 H LEU 42 H LEU 42 9.466 -6.281 -1.575 322 HA LEU 42 HA LEU 42 10.139 -3.555 -1.221 323 HB2 LEU 42 HB2 LEU 42 7.843 -4.699 -1.677 324 HB3 LEU 42 HB3 LEU 42 7.767 -4.873 0.065 325 HG LEU 42 HG LEU 42 8.061 -2.371 0.226 326 HD11 LEU 42 HD11 LEU 42 7.479 -2.527 -2.725 327 HD12 LEU 42 HD12 LEU 42 7.568 -1.057 -1.755 328 HD13 LEU 42 HD13 LEU 42 9.010 -2.041 -2.001 329 HD21 LEU 42 HD21 LEU 42 5.633 -3.399 -1.237 330 HD22 LEU 42 HD22 LEU 42 5.894 -3.462 0.506 331 HD23 LEU 42 HD23 LEU 42 5.727 -1.904 -0.304 332 H SER 43 H SER 43 9.744 -6.289 0.973 333 HA SER 43 HA SER 43 9.959 -4.908 3.403 334 HB2 SER 43 HB2 SER 43 10.884 -7.734 2.842 335 HB3 SER 43 HB3 SER 43 10.425 -7.062 4.404 336 HG SER 43 HG SER 43 8.361 -6.618 2.886 337 H LYS 44 H LYS 44 12.393 -6.229 1.236 338 HA LYS 44 HA LYS 44 14.612 -6.171 2.902 339 HB2 LYS 44 HB2 LYS 44 14.813 -7.300 0.841 340 HB3 LYS 44 HB3 LYS 44 14.330 -5.882 -0.080 341 HG2 LYS 44 HG2 LYS 44 16.426 -4.777 0.506 342 HG3 LYS 44 HG3 LYS 44 16.911 -6.188 1.448 343 HD2 LYS 44 HD2 LYS 44 16.207 -6.409 -1.460 344 HD3 LYS 44 HD3 LYS 44 17.829 -5.952 -0.936 345 HE2 LYS 44 HE2 LYS 44 16.397 -8.454 -0.047 346 HE3 LYS 44 HE3 LYS 44 17.541 -8.392 -1.387 347 HZ1 LYS 44 HZ1 LYS 44 18.693 -9.120 0.553 348 HZ2 LYS 44 HZ2 LYS 44 19.207 -7.538 0.219 349 HZ3 LYS 44 HZ3 LYS 44 18.105 -7.821 1.475 350 H VAL 45 H VAL 45 13.618 -3.623 0.590 351 HA VAL 45 HA VAL 45 15.687 -1.921 1.737 352 HB VAL 45 HB VAL 45 15.128 -0.447 -0.257 353 HG11 VAL 45 HG11 VAL 45 16.186 -3.229 -0.726 354 HG12 VAL 45 HG12 VAL 45 16.449 -1.844 -1.785 355 HG13 VAL 45 HG13 VAL 45 17.117 -1.845 -0.152 356 HG21 VAL 45 HG21 VAL 45 13.688 -2.945 -1.143 357 HG22 VAL 45 HG22 VAL 45 12.933 -1.395 -0.771 358 HG23 VAL 45 HG23 VAL 45 14.024 -1.535 -2.148 359 H VAL 46 H VAL 46 12.199 -1.855 1.073 360 HA VAL 46 HA VAL 46 11.938 0.890 1.807 361 HB VAL 46 HB VAL 46 9.754 -1.177 1.528 362 HG11 VAL 46 HG11 VAL 46 9.061 0.885 2.663 363 HG12 VAL 46 HG12 VAL 46 9.648 1.824 1.290 364 HG13 VAL 46 HG13 VAL 46 8.298 0.709 1.084 365 HG21 VAL 46 HG21 VAL 46 10.946 0.664 -0.542 366 HG22 VAL 46 HG22 VAL 46 11.118 -1.090 -0.484 367 HG23 VAL 46 HG23 VAL 46 9.535 -0.370 -0.775 368 H PHE 47 H PHE 47 11.675 -2.137 3.512 369 HA PHE 47 HA PHE 47 10.617 -0.797 5.887 370 HB2 PHE 47 HB2 PHE 47 11.118 -3.700 5.232 371 HB3 PHE 47 HB3 PHE 47 10.655 -3.155 6.839 372 HD1 PHE 47 HD1 PHE 47 9.538 -3.006 3.286 373 HD2 PHE 47 HD2 PHE 47 8.425 -3.011 7.394 374 HE1 PHE 47 HE1 PHE 47 7.169 -3.129 2.643 375 HE2 PHE 47 HE2 PHE 47 6.054 -3.129 6.752 376 HZ PHE 47 HZ PHE 47 5.427 -3.191 4.373 377 H LYS 48 H LYS 48 13.393 -0.451 4.750 378 HA LYS 48 HA LYS 48 14.840 -1.069 7.224 379 HB2 LYS 48 HB2 LYS 48 15.405 -2.766 5.535 380 HB3 LYS 48 HB3 LYS 48 15.912 -1.494 4.435 381 HG2 LYS 48 HG2 LYS 48 17.718 -0.883 5.927 382 HG3 LYS 48 HG3 LYS 48 17.185 -2.092 7.099 383 HD2 LYS 48 HD2 LYS 48 17.624 -3.868 5.500 384 HD3 LYS 48 HD3 LYS 48 18.081 -2.682 4.276 385 HE2 LYS 48 HE2 LYS 48 20.051 -3.686 5.297 386 HE3 LYS 48 HE3 LYS 48 19.955 -1.966 5.665 387 HZ1 LYS 48 HZ1 LYS 48 19.021 -4.086 7.520 388 HZ2 LYS 48 HZ2 LYS 48 20.576 -3.414 7.569 389 HZ3 LYS 48 HZ3 LYS 48 19.225 -2.438 7.855 390 H ASP 49 H ASP 49 14.796 0.786 4.209 391 HA ASP 49 HA ASP 49 16.835 2.602 4.970 392 HB2 ASP 49 HB2 ASP 49 16.113 2.199 2.613 393 HB3 ASP 49 HB3 ASP 49 14.623 3.070 2.962 394 H SER 50 H SER 50 16.791 4.394 6.140 395 HA SER 50 HA SER 50 14.610 4.914 7.845 396 HB2 SER 50 HB2 SER 50 17.027 6.643 7.297 397 HB3 SER 50 HB3 SER 50 15.977 6.730 8.712 398 HG SER 50 HG SER 50 16.618 4.581 9.222 399 H LEU 51 H LEU 51 15.846 6.647 4.994 400 HA LEU 51 HA LEU 51 14.133 8.890 5.362 401 HB2 LEU 51 HB2 LEU 51 15.736 7.968 2.982 402 HB3 LEU 51 HB3 LEU 51 14.868 9.485 3.054 403 HG LEU 51 HG LEU 51 17.192 8.677 4.797 404 HD11 LEU 51 HD11 LEU 51 16.933 10.767 2.641 405 HD12 LEU 51 HD12 LEU 51 18.354 10.496 3.649 406 HD13 LEU 51 HD13 LEU 51 17.824 9.251 2.518 407 HD21 LEU 51 HD21 LEU 51 15.611 10.023 6.065 408 HD22 LEU 51 HD22 LEU 51 17.059 10.958 5.694 409 HD23 LEU 51 HD23 LEU 51 15.577 11.226 4.778 410 H VAL 52 H VAL 52 14.048 6.041 3.255 411 HA VAL 52 HA VAL 52 11.726 6.745 1.825 412 HB VAL 52 HB VAL 52 12.785 3.993 2.503 413 HG11 VAL 52 HG11 VAL 52 10.417 3.919 1.873 414 HG12 VAL 52 HG12 VAL 52 10.788 4.800 0.390 415 HG13 VAL 52 HG13 VAL 52 11.442 3.180 0.642 416 HG21 VAL 52 HG21 VAL 52 14.376 5.347 1.251 417 HG22 VAL 52 HG22 VAL 52 13.728 4.057 0.237 418 HG23 VAL 52 HG23 VAL 52 13.142 5.710 0.045 419 H ALA 53 H ALA 53 12.129 4.730 4.728 420 HA ALA 53 HA ALA 53 9.428 4.138 5.137 421 HB1 ALA 53 HB1 ALA 53 11.239 2.959 6.274 422 HB2 ALA 53 HB2 ALA 53 11.608 4.409 7.204 423 HB3 ALA 53 HB3 ALA 53 10.064 3.587 7.428 424 H ASP 54 H ASP 54 11.393 6.850 6.201 425 HA ASP 54 HA ASP 54 9.512 8.026 7.942 426 HB2 ASP 54 HB2 ASP 54 11.842 8.651 8.055 427 HB3 ASP 54 HB3 ASP 54 11.818 9.222 6.391 428 H TYR 55 H TYR 55 10.259 8.620 4.531 429 HA TYR 55 HA TYR 55 8.529 10.801 4.181 430 HB2 TYR 55 HB2 TYR 55 10.314 10.298 2.589 431 HB3 TYR 55 HB3 TYR 55 9.518 8.791 2.146 432 HD1 TYR 55 HD1 TYR 55 9.293 12.470 1.949 433 HD2 TYR 55 HD2 TYR 55 7.721 8.759 0.584 434 HE1 TYR 55 HE1 TYR 55 8.043 13.648 0.191 435 HE2 TYR 55 HE2 TYR 55 6.467 9.929 -1.174 436 HH TYR 55 HH TYR 55 6.965 13.283 -1.871 437 H PHE 56 H PHE 56 8.037 7.351 3.443 438 HA PHE 56 HA PHE 56 5.436 7.744 2.395 439 HB2 PHE 56 HB2 PHE 56 6.995 5.330 3.236 440 HB3 PHE 56 HB3 PHE 56 5.296 5.188 2.806 441 HD1 PHE 56 HD1 PHE 56 8.660 5.963 1.560 442 HD2 PHE 56 HD2 PHE 56 4.566 5.422 0.540 443 HE1 PHE 56 HE1 PHE 56 9.271 5.852 -0.819 444 HE2 PHE 56 HE2 PHE 56 5.169 5.308 -1.843 445 HZ PHE 56 HZ PHE 56 7.525 5.526 -2.526 446 H ASN 57 H ASN 57 6.622 7.139 5.633 447 HA ASN 57 HA ASN 57 4.116 6.311 6.709 448 HB2 ASN 57 HB2 ASN 57 6.273 5.803 7.810 449 HB3 ASN 57 HB3 ASN 57 6.484 7.516 8.154 450 HD21 ASN 57 HD21 ASN 57 4.694 4.644 8.932 451 HD22 ASN 57 HD22 ASN 57 3.991 5.236 10.392 452 H ARG 58 H ARG 58 5.675 9.429 6.269 453 HA ARG 58 HA ARG 58 3.711 10.817 7.874 454 HB2 ARG 58 HB2 ARG 58 5.803 11.953 6.019 455 HB3 ARG 58 HB3 ARG 58 4.840 12.865 7.168 456 HG2 ARG 58 HG2 ARG 58 5.898 11.512 8.989 457 HG3 ARG 58 HG3 ARG 58 6.986 10.849 7.765 458 HD2 ARG 58 HD2 ARG 58 7.494 13.280 7.164 459 HD3 ARG 58 HD3 ARG 58 6.711 13.693 8.687 460 HE ARG 58 HE ARG 58 8.925 11.773 8.747 461 HH11 ARG 58 HH11 ARG 58 7.653 14.946 9.514 462 HH12 ARG 58 HH12 ARG 58 9.063 15.435 10.410 463 HH21 ARG 58 HH21 ARG 58 10.758 12.384 9.927 464 HH22 ARG 58 HH22 ARG 58 10.851 13.972 10.641 465 H HIS 59 H HIS 59 4.391 10.406 4.419 466 HA HIS 59 HA HIS 59 2.368 12.388 3.748 467 HB2 HIS 59 HB2 HIS 59 4.284 10.815 2.018 468 HB3 HIS 59 HB3 HIS 59 3.117 11.973 1.389 469 HD1 HIS 59 HD1 HIS 59 4.206 14.132 0.875 470 HD2 HIS 59 HD2 HIS 59 5.927 12.273 4.176 471 HE1 HIS 59 HE1 HIS 59 6.031 15.678 1.654 472 HE2 HIS 59 HE2 HIS 59 6.983 14.590 3.726 473 H PHE 60 H PHE 60 2.419 9.084 4.280 474 HA PHE 60 HA PHE 60 -0.163 8.780 2.945 475 HB2 PHE 60 HB2 PHE 60 2.056 6.733 2.683 476 HB3 PHE 60 HB3 PHE 60 0.442 6.613 2.001 477 HD1 PHE 60 HD1 PHE 60 -0.205 8.067 0.103 478 HD2 PHE 60 HD2 PHE 60 3.778 7.937 1.600 479 HE1 PHE 60 HE1 PHE 60 0.608 9.106 -1.974 480 HE2 PHE 60 HE2 PHE 60 4.594 8.977 -0.474 481 HZ PHE 60 HZ PHE 60 3.008 9.564 -2.262 482 H VAL 61 H VAL 61 -1.577 7.425 4.059 483 HA VAL 61 HA VAL 61 -0.580 6.235 6.536 484 HB VAL 61 HB VAL 61 -3.390 6.281 5.406 485 HG11 VAL 61 HG11 VAL 61 -3.059 4.314 6.789 486 HG12 VAL 61 HG12 VAL 61 -2.368 5.306 8.074 487 HG13 VAL 61 HG13 VAL 61 -4.069 5.484 7.640 488 HG21 VAL 61 HG21 VAL 61 -3.790 7.817 7.338 489 HG22 VAL 61 HG22 VAL 61 -2.044 7.883 7.568 490 HG23 VAL 61 HG23 VAL 61 -2.761 8.479 6.070 491 H ASN 62 H ASN 62 0.370 4.352 6.373 492 HA ASN 62 HA ASN 62 -0.087 2.693 4.042 493 HB2 ASN 62 HB2 ASN 62 1.872 2.450 6.334 494 HB3 ASN 62 HB3 ASN 62 1.829 1.378 4.938 495 HD21 ASN 62 HD21 ASN 62 2.463 4.626 6.043 496 HD22 ASN 62 HD22 ASN 62 3.366 5.133 4.655 497 H LEU 63 H LEU 63 -1.571 1.200 4.023 498 HA LEU 63 HA LEU 63 -2.378 -0.074 6.555 499 HB2 LEU 63 HB2 LEU 63 -4.162 1.248 5.561 500 HB3 LEU 63 HB3 LEU 63 -3.947 0.430 4.026 501 HG LEU 63 HG LEU 63 -4.646 -1.704 5.149 502 HD11 LEU 63 HD11 LEU 63 -5.451 0.147 7.386 503 HD12 LEU 63 HD12 LEU 63 -5.815 -1.575 7.270 504 HD13 LEU 63 HD13 LEU 63 -4.145 -1.036 7.452 505 HD21 LEU 63 HD21 LEU 63 -6.190 -0.426 3.774 506 HD22 LEU 63 HD22 LEU 63 -7.028 -1.150 5.147 507 HD23 LEU 63 HD23 LEU 63 -6.626 0.568 5.164 508 H LYS 64 H LYS 64 -1.961 -2.170 6.744 509 HA LYS 64 HA LYS 64 -1.355 -3.712 4.312 510 HB2 LYS 64 HB2 LYS 64 -0.309 -5.354 5.856 511 HB3 LYS 64 HB3 LYS 64 0.440 -3.767 5.941 512 HG2 LYS 64 HG2 LYS 64 -0.804 -3.291 7.994 513 HG3 LYS 64 HG3 LYS 64 -1.555 -4.884 7.905 514 HD2 LYS 64 HD2 LYS 64 1.420 -4.433 8.065 515 HD3 LYS 64 HD3 LYS 64 0.395 -4.721 9.471 516 HE2 LYS 64 HE2 LYS 64 0.582 -6.607 7.128 517 HE3 LYS 64 HE3 LYS 64 1.589 -6.745 8.568 518 HZ1 LYS 64 HZ1 LYS 64 -0.403 -7.002 9.901 519 HZ2 LYS 64 HZ2 LYS 64 -1.382 -6.859 8.525 520 HZ3 LYS 64 HZ3 LYS 64 -0.346 -8.189 8.690 521 H MET 65 H MET 65 -2.667 -5.366 3.692 522 HA MET 65 HA MET 65 -4.511 -6.493 5.655 523 HB2 MET 65 HB2 MET 65 -5.737 -4.595 4.664 524 HB3 MET 65 HB3 MET 65 -5.490 -5.280 3.065 525 HG2 MET 65 HG2 MET 65 -6.808 -7.227 3.669 526 HG3 MET 65 HG3 MET 65 -7.029 -6.590 5.298 527 HE1 MET 65 HE1 MET 65 -8.485 -4.444 5.871 528 HE2 MET 65 HE2 MET 65 -7.467 -3.501 4.781 529 HE3 MET 65 HE3 MET 65 -9.224 -3.416 4.646 530 H ASP 66 H ASP 66 -5.069 -8.563 5.272 531 HA ASP 66 HA ASP 66 -3.526 -10.036 3.367 532 HB2 ASP 66 HB2 ASP 66 -5.716 -10.865 5.282 533 HB3 ASP 66 HB3 ASP 66 -4.830 -11.987 4.260 534 H MET 67 H MET 67 -4.357 -11.397 1.721 535 HA MET 67 HA MET 67 -6.912 -10.501 0.589 536 HB2 MET 67 HB2 MET 67 -4.717 -12.196 -0.631 537 HB3 MET 67 HB3 MET 67 -6.190 -11.694 -1.454 538 HG2 MET 67 HG2 MET 67 -5.508 -9.335 -1.131 539 HG3 MET 67 HG3 MET 67 -3.989 -9.908 -0.447 540 HE1 MET 67 HE1 MET 67 -6.248 -9.721 -3.633 541 HE2 MET 67 HE2 MET 67 -5.298 -10.630 -4.810 542 HE3 MET 67 HE3 MET 67 -6.024 -11.460 -3.437 543 H GLU 68 H GLU 68 -5.671 -12.754 2.589 544 HA GLU 68 HA GLU 68 -7.991 -14.508 2.214 545 HB2 GLU 68 HB2 GLU 68 -5.254 -15.347 3.210 546 HB3 GLU 68 HB3 GLU 68 -6.668 -16.387 3.075 547 HG2 GLU 68 HG2 GLU 68 -6.669 -16.115 0.668 548 HG3 GLU 68 HG3 GLU 68 -5.294 -15.021 0.781 549 H LYS 69 H LYS 69 -9.313 -14.102 3.792 550 HA LYS 69 HA LYS 69 -10.220 -13.632 5.809 551 HB2 LYS 69 HB2 LYS 69 -7.427 -14.067 6.878 552 HB3 LYS 69 HB3 LYS 69 -8.857 -13.821 7.864 553 HG2 LYS 69 HG2 LYS 69 -9.827 -15.876 7.035 554 HG3 LYS 69 HG3 LYS 69 -8.455 -16.109 5.951 555 HD2 LYS 69 HD2 LYS 69 -6.964 -16.224 7.915 556 HD3 LYS 69 HD3 LYS 69 -8.372 -16.073 8.969 557 HE2 LYS 69 HE2 LYS 69 -9.288 -18.140 8.021 558 HE3 LYS 69 HE3 LYS 69 -7.867 -18.289 6.987 559 HZ1 LYS 69 HZ1 LYS 69 -7.642 -19.673 8.931 560 HZ2 LYS 69 HZ2 LYS 69 -6.491 -18.429 8.992 561 HZ3 LYS 69 HZ3 LYS 69 -7.883 -18.344 9.956 562 H GLY 70 H GLY 70 -10.299 -11.892 7.443 563 HA2 GLY 70 HA2 GLY 70 -9.955 -9.696 8.125 564 HA3 GLY 70 HA3 GLY 70 -8.521 -9.640 7.106 565 H GLU 71 H GLU 71 -11.614 -10.631 5.890 566 HA GLU 71 HA GLU 71 -13.075 -9.791 4.392 567 HB2 GLU 71 HB2 GLU 71 -11.997 -7.224 5.503 568 HB3 GLU 71 HB3 GLU 71 -13.073 -7.195 4.112 569 HG2 GLU 71 HG2 GLU 71 -14.342 -6.846 6.119 570 HG3 GLU 71 HG3 GLU 71 -14.765 -8.410 5.427 571 H GLY 72 H GLY 72 -10.101 -10.285 3.853 572 HA2 GLY 72 HA2 GLY 72 -9.327 -8.714 1.645 573 HA3 GLY 72 HA3 GLY 72 -8.724 -10.321 2.019 574 H VAL 73 H VAL 73 -11.373 -11.537 1.923 575 HA VAL 73 HA VAL 73 -11.429 -12.357 -0.743 576 HB VAL 73 HB VAL 73 -12.385 -13.710 1.043 577 HG11 VAL 73 HG11 VAL 73 -13.332 -11.963 2.429 578 HG12 VAL 73 HG12 VAL 73 -14.544 -11.613 1.200 579 HG13 VAL 73 HG13 VAL 73 -14.559 -13.168 2.037 580 HG21 VAL 73 HG21 VAL 73 -14.450 -12.942 -1.017 581 HG22 VAL 73 HG22 VAL 73 -13.165 -14.131 -1.218 582 HG23 VAL 73 HG23 VAL 73 -14.458 -14.421 -0.055 583 H GLU 74 H GLU 74 -13.183 -9.761 0.869 584 HA GLU 74 HA GLU 74 -15.032 -9.208 -1.188 585 HB2 GLU 74 HB2 GLU 74 -15.336 -8.321 1.055 586 HB3 GLU 74 HB3 GLU 74 -13.843 -7.403 0.929 587 HG2 GLU 74 HG2 GLU 74 -15.609 -5.873 0.617 588 HG3 GLU 74 HG3 GLU 74 -14.891 -6.141 -0.970 589 H LEU 75 H LEU 75 -11.875 -7.767 -0.420 590 HA LEU 75 HA LEU 75 -11.957 -5.976 -2.628 591 HB2 LEU 75 HB2 LEU 75 -9.736 -6.810 -0.777 592 HB3 LEU 75 HB3 LEU 75 -9.497 -5.662 -2.081 593 HG LEU 75 HG LEU 75 -11.418 -4.327 -0.989 594 HD11 LEU 75 HD11 LEU 75 -10.610 -6.055 1.343 595 HD12 LEU 75 HD12 LEU 75 -11.637 -4.622 1.424 596 HD13 LEU 75 HD13 LEU 75 -12.184 -6.052 0.545 597 HD21 LEU 75 HD21 LEU 75 -9.859 -3.192 0.491 598 HD22 LEU 75 HD22 LEU 75 -8.760 -4.568 0.405 599 HD23 LEU 75 HD23 LEU 75 -9.086 -3.610 -1.039 600 H ARG 76 H ARG 76 -10.653 -9.190 -2.137 601 HA ARG 76 HA ARG 76 -9.023 -9.382 -4.402 602 HB2 ARG 76 HB2 ARG 76 -9.133 -11.068 -2.584 603 HB3 ARG 76 HB3 ARG 76 -10.717 -11.565 -3.163 604 HG2 ARG 76 HG2 ARG 76 -9.679 -12.194 -5.319 605 HG3 ARG 76 HG3 ARG 76 -8.101 -11.800 -4.634 606 HD2 ARG 76 HD2 ARG 76 -8.498 -13.477 -2.858 607 HD3 ARG 76 HD3 ARG 76 -10.020 -13.908 -3.639 608 HE ARG 76 HE ARG 76 -7.388 -14.238 -4.933 609 HH11 ARG 76 HH11 ARG 76 -10.597 -15.400 -4.172 610 HH12 ARG 76 HH12 ARG 76 -10.436 -16.854 -5.110 611 HH21 ARG 76 HH21 ARG 76 -7.156 -16.166 -6.157 612 HH22 ARG 76 HH22 ARG 76 -8.491 -17.280 -6.256 613 H LYS 77 H LYS 77 -12.494 -9.948 -4.004 614 HA LYS 77 HA LYS 77 -12.913 -10.589 -6.771 615 HB2 LYS 77 HB2 LYS 77 -14.401 -11.506 -5.086 616 HB3 LYS 77 HB3 LYS 77 -14.839 -9.891 -4.544 617 HG2 LYS 77 HG2 LYS 77 -15.895 -9.457 -6.708 618 HG3 LYS 77 HG3 LYS 77 -15.465 -11.082 -7.240 619 HD2 LYS 77 HD2 LYS 77 -16.874 -12.067 -5.569 620 HD3 LYS 77 HD3 LYS 77 -17.174 -10.496 -4.826 621 HE2 LYS 77 HE2 LYS 77 -19.072 -11.218 -6.181 622 HE3 LYS 77 HE3 LYS 77 -18.338 -9.756 -6.836 623 HZ1 LYS 77 HZ1 LYS 77 -17.186 -11.124 -8.478 624 HZ2 LYS 77 HZ2 LYS 77 -17.909 -12.522 -7.843 625 HZ3 LYS 77 HZ3 LYS 77 -18.863 -11.330 -8.584 626 H LYS 78 H LYS 78 -12.868 -7.710 -4.844 627 HA LYS 78 HA LYS 78 -14.533 -6.145 -6.566 628 HB2 LYS 78 HB2 LYS 78 -14.340 -5.733 -4.135 629 HB3 LYS 78 HB3 LYS 78 -12.664 -5.259 -4.364 630 HG2 LYS 78 HG2 LYS 78 -14.046 -3.301 -4.144 631 HG3 LYS 78 HG3 LYS 78 -13.407 -3.394 -5.786 632 HD2 LYS 78 HD2 LYS 78 -15.740 -2.755 -5.842 633 HD3 LYS 78 HD3 LYS 78 -15.537 -4.363 -6.538 634 HE2 LYS 78 HE2 LYS 78 -16.256 -5.368 -4.427 635 HE3 LYS 78 HE3 LYS 78 -16.451 -3.762 -3.727 636 HZ1 LYS 78 HZ1 LYS 78 -18.556 -4.692 -4.475 637 HZ2 LYS 78 HZ2 LYS 78 -18.168 -3.286 -5.336 638 HZ3 LYS 78 HZ3 LYS 78 -17.965 -4.806 -6.059 639 H TYR 79 H TYR 79 -11.038 -6.231 -5.921 640 HA TYR 79 HA TYR 79 -10.637 -4.276 -8.068 641 HB2 TYR 79 HB2 TYR 79 -8.722 -5.292 -5.961 642 HB3 TYR 79 HB3 TYR 79 -8.376 -4.023 -7.136 643 HD1 TYR 79 HD1 TYR 79 -9.481 -1.834 -6.965 644 HD2 TYR 79 HD2 TYR 79 -10.113 -4.852 -4.040 645 HE1 TYR 79 HE1 TYR 79 -10.424 -0.151 -5.441 646 HE2 TYR 79 HE2 TYR 79 -11.054 -3.179 -2.506 647 HH TYR 79 HH TYR 79 -11.886 -0.011 -3.513 648 H GLY 80 H GLY 80 -10.327 -7.607 -7.405 649 HA2 GLY 80 HA2 GLY 80 -10.050 -9.213 -9.092 650 HA3 GLY 80 HA3 GLY 80 -9.308 -7.986 -10.107 651 H VAL 81 H VAL 81 -8.769 -10.636 -8.140 652 HA VAL 81 HA VAL 81 -6.090 -10.079 -7.345 653 HB VAL 81 HB VAL 81 -7.420 -11.787 -6.193 654 HG11 VAL 81 HG11 VAL 81 -7.856 -13.966 -7.233 655 HG12 VAL 81 HG12 VAL 81 -8.700 -12.656 -8.059 656 HG13 VAL 81 HG13 VAL 81 -7.241 -13.349 -8.767 657 HG21 VAL 81 HG21 VAL 81 -5.734 -13.576 -6.107 658 HG22 VAL 81 HG22 VAL 81 -4.975 -12.915 -7.556 659 HG23 VAL 81 HG23 VAL 81 -5.008 -11.970 -6.068 660 H HIS 82 H HIS 82 -4.214 -10.371 -8.408 661 HA HIS 82 HA HIS 82 -4.259 -11.834 -10.951 662 HB2 HIS 82 HB2 HIS 82 -3.074 -9.072 -10.572 663 HB3 HIS 82 HB3 HIS 82 -2.802 -10.084 -11.984 664 HD1 HIS 82 HD1 HIS 82 -5.017 -7.537 -10.671 665 HD2 HIS 82 HD2 HIS 82 -5.309 -10.614 -13.454 666 HE1 HIS 82 HE1 HIS 82 -7.023 -6.986 -12.079 667 HE2 HIS 82 HE2 HIS 82 -7.274 -8.933 -13.661 668 H ALA 83 H ALA 83 -1.920 -9.907 -9.084 669 HA ALA 83 HA ALA 83 -0.036 -12.155 -9.303 670 HB1 ALA 83 HB1 ALA 83 0.683 -10.006 -10.258 671 HB2 ALA 83 HB2 ALA 83 0.519 -9.256 -8.670 672 HB3 ALA 83 HB3 ALA 83 1.723 -10.520 -8.929 673 H TYR 84 H TYR 84 1.707 -11.268 -7.265 674 HA TYR 84 HA TYR 84 0.275 -12.253 -4.929 675 HB2 TYR 84 HB2 TYR 84 3.221 -11.635 -5.177 676 HB3 TYR 84 HB3 TYR 84 2.437 -12.613 -3.941 677 HD1 TYR 84 HD1 TYR 84 1.480 -14.840 -4.568 678 HD2 TYR 84 HD2 TYR 84 3.865 -12.569 -7.259 679 HE1 TYR 84 HE1 TYR 84 1.851 -16.853 -5.929 680 HE2 TYR 84 HE2 TYR 84 4.239 -14.575 -8.631 681 HH TYR 84 HH TYR 84 2.413 -17.403 -8.269 682 HA PRO 85 HA PRO 85 1.386 -7.914 -3.455 683 HB2 PRO 85 HB2 PRO 85 2.918 -6.244 -4.875 684 HB3 PRO 85 HB3 PRO 85 3.634 -7.513 -3.874 685 HG2 PRO 85 HG2 PRO 85 3.284 -7.398 -6.824 686 HG3 PRO 85 HG3 PRO 85 4.593 -8.118 -5.876 687 HD2 PRO 85 HD2 PRO 85 2.422 -9.480 -7.019 688 HD3 PRO 85 HD3 PRO 85 3.542 -10.123 -5.805 689 H THR 86 H THR 86 -0.081 -6.241 -3.619 690 HA THR 86 HA THR 86 -0.841 -5.250 -6.251 691 HB THR 86 HB THR 86 -2.903 -6.376 -4.336 692 HG1 THR 86 HG1 THR 86 -1.428 -7.634 -6.075 693 HG21 THR 86 HG21 THR 86 -3.708 -4.398 -5.555 694 HG22 THR 86 HG22 THR 86 -3.235 -5.147 -7.080 695 HG23 THR 86 HG23 THR 86 -4.516 -5.864 -6.104 696 H LEU 87 H LEU 87 -0.651 -3.128 -6.082 697 HA LEU 87 HA LEU 87 -0.982 -1.863 -3.474 698 HB2 LEU 87 HB2 LEU 87 0.155 -0.850 -6.076 699 HB3 LEU 87 HB3 LEU 87 -0.018 0.137 -4.636 700 HG LEU 87 HG LEU 87 1.697 -2.335 -4.880 701 HD11 LEU 87 HD11 LEU 87 2.593 -0.417 -6.097 702 HD12 LEU 87 HD12 LEU 87 2.436 0.579 -4.651 703 HD13 LEU 87 HD13 LEU 87 3.564 -0.777 -4.670 704 HD21 LEU 87 HD21 LEU 87 2.492 -1.747 -2.647 705 HD22 LEU 87 HD22 LEU 87 1.341 -0.412 -2.583 706 HD23 LEU 87 HD23 LEU 87 0.759 -2.076 -2.637 707 H LEU 88 H LEU 88 -2.868 -1.087 -2.947 708 HA LEU 88 HA LEU 88 -4.620 -0.011 -5.050 709 HB2 LEU 88 HB2 LEU 88 -5.266 -0.840 -2.219 710 HB3 LEU 88 HB3 LEU 88 -6.419 -0.181 -3.365 711 HG LEU 88 HG LEU 88 -4.970 -2.820 -3.601 712 HD11 LEU 88 HD11 LEU 88 -7.879 -2.164 -3.163 713 HD12 LEU 88 HD12 LEU 88 -7.204 -3.777 -3.385 714 HD13 LEU 88 HD13 LEU 88 -6.772 -2.828 -1.961 715 HD21 LEU 88 HD21 LEU 88 -6.972 -1.547 -5.466 716 HD22 LEU 88 HD22 LEU 88 -5.257 -1.792 -5.796 717 HD23 LEU 88 HD23 LEU 88 -6.325 -3.183 -5.602 718 H PHE 89 H PHE 89 -4.986 2.087 -5.158 719 HA PHE 89 HA PHE 89 -3.867 3.766 -3.015 720 HB2 PHE 89 HB2 PHE 89 -4.188 4.300 -5.974 721 HB3 PHE 89 HB3 PHE 89 -3.685 5.522 -4.812 722 HD1 PHE 89 HD1 PHE 89 -2.709 2.492 -6.606 723 HD2 PHE 89 HD2 PHE 89 -1.496 5.432 -3.776 724 HE1 PHE 89 HE1 PHE 89 -0.378 1.733 -6.825 725 HE2 PHE 89 HE2 PHE 89 0.838 4.677 -3.994 726 HZ PHE 89 HZ PHE 89 1.398 2.829 -5.516 727 H ILE 90 H ILE 90 -5.417 4.439 -1.716 728 HA ILE 90 HA ILE 90 -8.042 5.128 -2.871 729 HB ILE 90 HB ILE 90 -7.421 4.218 -0.051 730 HG12 ILE 90 HG12 ILE 90 -7.168 2.399 -1.700 731 HG13 ILE 90 HG13 ILE 90 -8.553 2.133 -0.645 732 HG21 ILE 90 HG21 ILE 90 -10.057 4.754 -1.412 733 HG22 ILE 90 HG22 ILE 90 -9.859 4.069 0.201 734 HG23 ILE 90 HG23 ILE 90 -9.324 5.718 -0.130 735 HD11 ILE 90 HD11 ILE 90 -8.640 3.168 -3.472 736 HD12 ILE 90 HD12 ILE 90 -9.086 1.550 -2.931 737 HD13 ILE 90 HD13 ILE 90 -10.037 2.943 -2.419 738 H ASN 91 H ASN 91 -8.416 7.262 -2.902 739 HA ASN 91 HA ASN 91 -7.045 8.986 -0.994 740 HB2 ASN 91 HB2 ASN 91 -7.663 10.830 -2.363 741 HB3 ASN 91 HB3 ASN 91 -7.161 9.555 -3.458 742 HD21 ASN 91 HD21 ASN 91 -8.702 8.500 -4.722 743 HD22 ASN 91 HD22 ASN 91 -10.260 9.208 -5.018 744 H SER 92 H SER 92 -8.769 11.034 -0.586 745 HA SER 92 HA SER 92 -10.289 10.146 1.562 746 HB2 SER 92 HB2 SER 92 -11.362 12.458 1.383 747 HB3 SER 92 HB3 SER 92 -9.606 12.409 1.545 748 HG SER 92 HG SER 92 -9.486 13.415 -0.284 749 H SER 93 H SER 93 -11.163 10.423 -1.802 750 HA SER 93 HA SER 93 -13.957 10.456 -1.478 751 HB2 SER 93 HB2 SER 93 -12.320 9.420 -3.796 752 HB3 SER 93 HB3 SER 93 -14.048 9.771 -3.840 753 HG SER 93 HG SER 93 -12.919 11.533 -4.644 754 H GLY 94 H GLY 94 -11.639 7.883 -1.285 755 HA2 GLY 94 HA2 GLY 94 -12.060 5.725 -0.458 756 HA3 GLY 94 HA3 GLY 94 -13.781 5.982 -0.714 757 H GLU 95 H GLU 95 -12.718 7.049 -3.462 758 HA GLU 95 HA GLU 95 -13.068 4.526 -4.854 759 HB2 GLU 95 HB2 GLU 95 -12.699 7.321 -5.952 760 HB3 GLU 95 HB3 GLU 95 -13.207 5.906 -6.865 761 HG2 GLU 95 HG2 GLU 95 -15.244 5.780 -5.511 762 HG3 GLU 95 HG3 GLU 95 -14.739 7.222 -4.631 763 H VAL 96 H VAL 96 -11.593 4.126 -6.779 764 HA VAL 96 HA VAL 96 -8.831 4.453 -5.885 765 HB VAL 96 HB VAL 96 -8.277 2.831 -7.704 766 HG11 VAL 96 HG11 VAL 96 -8.615 2.086 -5.423 767 HG12 VAL 96 HG12 VAL 96 -10.350 1.953 -5.704 768 HG13 VAL 96 HG13 VAL 96 -9.235 0.886 -6.558 769 HG21 VAL 96 HG21 VAL 96 -10.110 1.553 -8.730 770 HG22 VAL 96 HG22 VAL 96 -11.277 2.655 -7.999 771 HG23 VAL 96 HG23 VAL 96 -10.141 3.249 -9.211 772 H VAL 97 H VAL 97 -7.553 5.973 -6.675 773 HA VAL 97 HA VAL 97 -8.266 7.514 -8.971 774 HB VAL 97 HB VAL 97 -7.056 8.637 -7.232 775 HG11 VAL 97 HG11 VAL 97 -4.836 6.640 -7.659 776 HG12 VAL 97 HG12 VAL 97 -4.760 8.053 -6.605 777 HG13 VAL 97 HG13 VAL 97 -5.891 6.747 -6.249 778 HG21 VAL 97 HG21 VAL 97 -5.272 8.269 -9.632 779 HG22 VAL 97 HG22 VAL 97 -6.593 9.427 -9.474 780 HG23 VAL 97 HG23 VAL 97 -5.158 9.583 -8.462 781 H TYR 98 H TYR 98 -5.813 5.049 -8.284 782 HA TYR 98 HA TYR 98 -6.136 3.961 -10.903 783 HB2 TYR 98 HB2 TYR 98 -3.918 4.218 -11.741 784 HB3 TYR 98 HB3 TYR 98 -4.451 5.822 -11.265 785 HD1 TYR 98 HD1 TYR 98 -3.659 6.662 -8.942 786 HD2 TYR 98 HD2 TYR 98 -1.903 3.369 -10.985 787 HE1 TYR 98 HE1 TYR 98 -1.615 6.926 -7.601 788 HE2 TYR 98 HE2 TYR 98 0.140 3.619 -9.644 789 HH TYR 98 HH TYR 98 1.300 5.374 -8.383 790 H ARG 99 H ARG 99 -4.731 1.945 -11.115 791 HA ARG 99 HA ARG 99 -4.200 0.825 -8.443 792 HB2 ARG 99 HB2 ARG 99 -5.088 -1.348 -9.221 793 HB3 ARG 99 HB3 ARG 99 -6.316 -0.091 -9.208 794 HG2 ARG 99 HG2 ARG 99 -6.098 0.162 -11.622 795 HG3 ARG 99 HG3 ARG 99 -4.847 -1.085 -11.647 796 HD2 ARG 99 HD2 ARG 99 -6.467 -2.703 -10.753 797 HD3 ARG 99 HD3 ARG 99 -7.707 -1.453 -10.759 798 HE ARG 99 HE ARG 99 -6.993 -1.432 -13.317 799 HH11 ARG 99 HH11 ARG 99 -7.701 -4.115 -11.171 800 HH12 ARG 99 HH12 ARG 99 -8.252 -5.162 -12.445 801 HH21 ARG 99 HH21 ARG 99 -7.717 -2.814 -14.997 802 HH22 ARG 99 HH22 ARG 99 -8.207 -4.439 -14.619 803 H LEU 100 H LEU 100 -2.422 -0.514 -8.253 804 HA LEU 100 HA LEU 100 -0.745 -0.711 -10.668 805 HB2 LEU 100 HB2 LEU 100 0.006 1.110 -9.177 806 HB3 LEU 100 HB3 LEU 100 0.185 -0.053 -7.870 807 HG LEU 100 HG LEU 100 1.934 -1.218 -9.174 808 HD11 LEU 100 HD11 LEU 100 2.876 -0.124 -11.149 809 HD12 LEU 100 HD12 LEU 100 1.205 -0.622 -11.413 810 HD13 LEU 100 HD13 LEU 100 1.581 1.073 -11.098 811 HD21 LEU 100 HD21 LEU 100 2.564 0.461 -7.539 812 HD22 LEU 100 HD22 LEU 100 3.656 0.507 -8.925 813 HD23 LEU 100 HD23 LEU 100 2.395 1.728 -8.754 814 H VAL 101 H VAL 101 -0.121 -2.702 -11.128 815 HA VAL 101 HA VAL 101 -0.299 -4.759 -9.037 816 HB VAL 101 HB VAL 101 -0.092 -5.108 -12.035 817 HG11 VAL 101 HG11 VAL 101 -0.679 -7.450 -11.583 818 HG12 VAL 101 HG12 VAL 101 0.852 -6.994 -10.830 819 HG13 VAL 101 HG13 VAL 101 -0.609 -7.121 -9.850 820 HG21 VAL 101 HG21 VAL 101 -2.476 -5.372 -10.207 821 HG22 VAL 101 HG22 VAL 101 -2.218 -4.107 -11.407 822 HG23 VAL 101 HG23 VAL 101 -2.450 -5.776 -11.923 823 H GLY 102 H GLY 102 1.593 -4.962 -7.997 824 HA2 GLY 102 HA2 GLY 102 3.738 -6.186 -8.271 825 HA3 GLY 102 HA3 GLY 102 4.040 -5.138 -9.651 826 H ALA 103 H ALA 103 5.583 -5.555 -7.175 827 HA ALA 103 HA ALA 103 5.640 -2.755 -6.277 828 HB1 ALA 103 HB1 ALA 103 6.364 -3.523 -4.067 829 HB2 ALA 103 HB2 ALA 103 4.779 -4.174 -4.486 830 HB3 ALA 103 HB3 ALA 103 6.210 -5.199 -4.598 831 H GLU 104 H GLU 104 7.404 -1.821 -7.015 832 HA GLU 104 HA GLU 104 9.773 -3.435 -7.595 833 HB2 GLU 104 HB2 GLU 104 9.031 -0.599 -8.333 834 HB3 GLU 104 HB3 GLU 104 10.549 -1.371 -8.775 835 HG2 GLU 104 HG2 GLU 104 9.410 -2.988 -10.121 836 HG3 GLU 104 HG3 GLU 104 7.841 -2.421 -9.555 837 H ASP 105 H ASP 105 11.840 -1.797 -7.337 838 HA ASP 105 HA ASP 105 12.347 -1.780 -4.562 839 HB2 ASP 105 HB2 ASP 105 13.820 -0.894 -6.992 840 HB3 ASP 105 HB3 ASP 105 14.369 -0.286 -5.433 841 H ALA 106 H ALA 106 13.276 0.219 -3.443 842 HA ALA 106 HA ALA 106 11.122 1.836 -2.836 843 HB1 ALA 106 HB1 ALA 106 13.041 1.403 -1.355 844 HB2 ALA 106 HB2 ALA 106 14.006 2.519 -2.322 845 HB3 ALA 106 HB3 ALA 106 12.598 3.108 -1.439 846 HA PRO 107 HA PRO 107 13.163 5.547 -5.325 847 HB2 PRO 107 HB2 PRO 107 14.496 3.995 -7.476 848 HB3 PRO 107 HB3 PRO 107 15.020 5.476 -6.667 849 HG2 PRO 107 HG2 PRO 107 16.190 3.149 -6.127 850 HG3 PRO 107 HG3 PRO 107 15.876 4.330 -4.842 851 HD2 PRO 107 HD2 PRO 107 14.391 1.820 -5.516 852 HD3 PRO 107 HD3 PRO 107 14.801 2.494 -3.925 853 H GLU 108 H GLU 108 12.502 2.590 -7.203 854 HA GLU 108 HA GLU 108 11.043 3.911 -9.240 855 HB2 GLU 108 HB2 GLU 108 11.133 1.005 -8.418 856 HB3 GLU 108 HB3 GLU 108 10.342 1.600 -9.867 857 HG2 GLU 108 HG2 GLU 108 13.275 1.814 -9.240 858 HG3 GLU 108 HG3 GLU 108 12.533 0.690 -10.378 859 H LEU 109 H LEU 109 10.134 2.180 -6.302 860 HA LEU 109 HA LEU 109 7.384 2.079 -6.556 861 HB2 LEU 109 HB2 LEU 109 8.703 1.105 -4.696 862 HB3 LEU 109 HB3 LEU 109 8.963 2.712 -4.058 863 HG LEU 109 HG LEU 109 6.498 2.935 -3.747 864 HD11 LEU 109 HD11 LEU 109 5.782 1.294 -5.400 865 HD12 LEU 109 HD12 LEU 109 6.485 -0.001 -4.429 866 HD13 LEU 109 HD13 LEU 109 5.121 0.930 -3.806 867 HD21 LEU 109 HD21 LEU 109 6.400 1.499 -1.767 868 HD22 LEU 109 HD22 LEU 109 7.826 0.628 -2.332 869 HD23 LEU 109 HD23 LEU 109 7.950 2.331 -1.894 870 H LEU 110 H LEU 110 9.293 4.633 -5.014 871 HA LEU 110 HA LEU 110 7.231 6.424 -4.483 872 HB2 LEU 110 HB2 LEU 110 9.472 6.649 -3.544 873 HB3 LEU 110 HB3 LEU 110 10.124 6.999 -5.133 874 HG LEU 110 HG LEU 110 8.859 9.093 -5.211 875 HD11 LEU 110 HD11 LEU 110 6.940 8.447 -3.870 876 HD12 LEU 110 HD12 LEU 110 7.959 8.332 -2.434 877 HD13 LEU 110 HD13 LEU 110 7.694 9.896 -3.204 878 HD21 LEU 110 HD21 LEU 110 11.123 9.087 -4.294 879 HD22 LEU 110 HD22 LEU 110 10.112 10.292 -3.493 880 HD23 LEU 110 HD23 LEU 110 10.476 8.768 -2.685 881 H LYS 111 H LYS 111 9.183 6.024 -7.396 882 HA LYS 111 HA LYS 111 8.201 8.285 -8.768 883 HB2 LYS 111 HB2 LYS 111 10.252 7.172 -9.463 884 HB3 LYS 111 HB3 LYS 111 9.359 5.707 -9.844 885 HG2 LYS 111 HG2 LYS 111 8.170 6.881 -11.620 886 HG3 LYS 111 HG3 LYS 111 9.040 8.365 -11.225 887 HD2 LYS 111 HD2 LYS 111 10.010 7.209 -13.165 888 HD3 LYS 111 HD3 LYS 111 11.148 7.316 -11.821 889 HE2 LYS 111 HE2 LYS 111 10.665 5.018 -11.202 890 HE3 LYS 111 HE3 LYS 111 9.465 4.902 -12.489 891 HZ1 LYS 111 HZ1 LYS 111 11.116 4.996 -14.122 892 HZ2 LYS 111 HZ2 LYS 111 12.300 5.549 -13.042 893 HZ3 LYS 111 HZ3 LYS 111 11.750 3.949 -12.945 894 H LYS 112 H LYS 112 7.133 4.902 -8.674 895 HA LYS 112 HA LYS 112 5.189 5.150 -10.717 896 HB2 LYS 112 HB2 LYS 112 5.323 3.179 -8.429 897 HB3 LYS 112 HB3 LYS 112 4.274 3.033 -9.831 898 HG2 LYS 112 HG2 LYS 112 7.282 3.041 -9.880 899 HG3 LYS 112 HG3 LYS 112 6.244 1.624 -10.039 900 HD2 LYS 112 HD2 LYS 112 6.054 3.967 -11.911 901 HD3 LYS 112 HD3 LYS 112 7.182 2.639 -12.186 902 HE2 LYS 112 HE2 LYS 112 4.200 2.324 -11.856 903 HE3 LYS 112 HE3 LYS 112 5.033 2.396 -13.409 904 HZ1 LYS 112 HZ1 LYS 112 6.307 0.426 -12.729 905 HZ2 LYS 112 HZ2 LYS 112 5.403 0.333 -11.301 906 HZ3 LYS 112 HZ3 LYS 112 4.647 0.118 -12.802 907 H VAL 113 H VAL 113 5.135 5.881 -7.310 908 HA VAL 113 HA VAL 113 2.305 6.086 -7.066 909 HB VAL 113 HB VAL 113 4.458 7.414 -5.401 910 HG11 VAL 113 HG11 VAL 113 1.531 6.977 -4.804 911 HG12 VAL 113 HG12 VAL 113 2.722 7.662 -3.696 912 HG13 VAL 113 HG13 VAL 113 2.290 8.526 -5.174 913 HG21 VAL 113 HG21 VAL 113 2.933 4.847 -4.965 914 HG22 VAL 113 HG22 VAL 113 4.644 4.986 -5.370 915 HG23 VAL 113 HG23 VAL 113 4.054 5.579 -3.817 916 H LYS 114 H LYS 114 4.868 8.533 -7.457 917 HA LYS 114 HA LYS 114 3.083 10.718 -7.673 918 HB2 LYS 114 HB2 LYS 114 5.961 10.369 -8.479 919 HB3 LYS 114 HB3 LYS 114 5.098 11.883 -8.703 920 HG2 LYS 114 HG2 LYS 114 4.675 11.975 -6.285 921 HG3 LYS 114 HG3 LYS 114 5.608 10.489 -6.083 922 HD2 LYS 114 HD2 LYS 114 7.592 11.562 -6.916 923 HD3 LYS 114 HD3 LYS 114 6.683 13.018 -7.320 924 HE2 LYS 114 HE2 LYS 114 6.206 13.375 -4.946 925 HE3 LYS 114 HE3 LYS 114 7.117 11.919 -4.546 926 HZ1 LYS 114 HZ1 LYS 114 8.386 14.018 -4.283 927 HZ2 LYS 114 HZ2 LYS 114 9.108 12.912 -5.349 928 HZ3 LYS 114 HZ3 LYS 114 8.274 14.260 -5.959 929 H LEU 115 H LEU 115 4.726 8.743 -10.105 930 HA LEU 115 HA LEU 115 3.844 10.228 -12.351 931 HB2 LEU 115 HB2 LEU 115 5.774 8.635 -12.268 932 HB3 LEU 115 HB3 LEU 115 4.626 7.316 -12.237 933 HG LEU 115 HG LEU 115 3.772 8.070 -14.456 934 HD11 LEU 115 HD11 LEU 115 5.155 9.619 -15.758 935 HD12 LEU 115 HD12 LEU 115 4.450 10.401 -14.343 936 HD13 LEU 115 HD13 LEU 115 6.147 9.922 -14.332 937 HD21 LEU 115 HD21 LEU 115 5.673 7.209 -15.725 938 HD22 LEU 115 HD22 LEU 115 6.713 7.421 -14.317 939 HD23 LEU 115 HD23 LEU 115 5.391 6.254 -14.269 940 H GLY 116 H GLY 116 2.292 7.953 -10.327 941 HA2 GLY 116 HA2 GLY 116 0.362 7.132 -12.347 942 HA3 GLY 116 HA3 GLY 116 0.453 6.549 -10.695 943 H VAL 117 H VAL 117 0.413 9.078 -9.375 944 HA VAL 117 HA VAL 117 -2.395 9.387 -9.244 945 HB VAL 117 HB VAL 117 -1.951 11.280 -7.689 946 HG11 VAL 117 HG11 VAL 117 -0.422 8.733 -7.170 947 HG12 VAL 117 HG12 VAL 117 -0.919 9.896 -5.940 948 HG13 VAL 117 HG13 VAL 117 -2.136 9.009 -6.859 949 HG21 VAL 117 HG21 VAL 117 0.936 10.637 -8.271 950 HG22 VAL 117 HG22 VAL 117 0.099 12.141 -8.655 951 HG23 VAL 117 HG23 VAL 117 0.365 11.685 -6.973 952 H GLU 118 H GLU 118 0.110 11.324 -10.814 953 HA GLU 118 HA GLU 118 -1.980 13.060 -11.867 954 HB2 GLU 118 HB2 GLU 118 -0.082 14.418 -12.729 955 HB3 GLU 118 HB3 GLU 118 -0.147 14.300 -10.981 956 HG2 GLU 118 HG2 GLU 118 1.558 12.534 -11.087 957 HG3 GLU 118 HG3 GLU 118 1.674 12.790 -12.828 958 H SER 119 H SER 119 -1.877 13.571 -14.212 959 HA SER 119 HA SER 119 -1.386 11.052 -15.641 960 HB2 SER 119 HB2 SER 119 -3.094 12.118 -17.273 961 HB3 SER 119 HB3 SER 119 -3.681 11.485 -15.735 962 HG SER 119 HG SER 119 -3.745 14.021 -16.694 963 H GLU 120 H GLU 120 0.185 13.792 -15.196 964 HA GLU 120 HA GLU 120 1.761 14.982 -16.305 965 HB2 GLU 120 HB2 GLU 120 2.602 12.840 -17.121 966 HB3 GLU 120 HB3 GLU 120 1.431 12.853 -18.430 967 HG2 GLU 120 HG2 GLU 120 3.616 13.464 -19.247 968 HG3 GLU 120 HG3 GLU 120 2.512 14.830 -19.375 969 H GLY 121 H GLY 121 0.635 16.829 -16.550 970 HA2 GLY 121 HA2 GLY 121 0.004 18.511 -18.142 971 HA3 GLY 121 HA3 GLY 121 -0.674 17.239 -19.152 Start of MODEL 5 1 H ALA 1 H ALA 1 23.516 -0.812 15.607 2 HA ALA 1 HA ALA 1 21.197 -0.244 17.355 3 HB1 ALA 1 HB1 ALA 1 21.101 1.898 16.217 4 HB2 ALA 1 HB2 ALA 1 22.664 1.694 17.006 5 HB3 ALA 1 HB3 ALA 1 22.521 1.478 15.261 6 H GLN 2 H GLN 2 19.215 0.053 16.179 7 HA GLN 2 HA GLN 2 19.181 -1.200 13.523 8 HB2 GLN 2 HB2 GLN 2 17.775 -2.112 15.989 9 HB3 GLN 2 HB3 GLN 2 16.946 -2.277 14.447 10 HG2 GLN 2 HG2 GLN 2 19.688 -3.366 15.023 11 HG3 GLN 2 HG3 GLN 2 18.194 -4.297 15.145 12 HE21 GLN 2 HE21 GLN 2 16.930 -3.041 12.871 13 HE22 GLN 2 HE22 GLN 2 17.733 -3.653 11.459 14 H ALA 3 H ALA 3 17.541 -0.567 12.173 15 HA ALA 3 HA ALA 3 15.496 1.249 13.156 16 HB1 ALA 3 HB1 ALA 3 17.347 2.728 12.504 17 HB2 ALA 3 HB2 ALA 3 17.341 2.015 10.890 18 HB3 ALA 3 HB3 ALA 3 15.945 2.935 11.454 19 H ASP 4 H ASP 4 13.751 0.148 12.548 20 HA ASP 4 HA ASP 4 13.684 -1.357 10.085 21 HB2 ASP 4 HB2 ASP 4 11.395 -1.965 10.742 22 HB3 ASP 4 HB3 ASP 4 12.530 -2.243 12.059 23 H GLY 5 H GLY 5 11.828 -1.042 8.560 24 HA2 GLY 5 HA2 GLY 5 11.843 1.801 7.848 25 HA3 GLY 5 HA3 GLY 5 11.625 0.468 6.735 26 H ILE 6 H ILE 6 9.754 0.755 5.833 27 HA ILE 6 HA ILE 6 7.578 2.168 6.834 28 HB ILE 6 HB ILE 6 7.551 -0.006 4.734 29 HG12 ILE 6 HG12 ILE 6 7.864 2.989 4.436 30 HG13 ILE 6 HG13 ILE 6 9.167 1.816 4.272 31 HG21 ILE 6 HG21 ILE 6 5.544 1.134 3.894 32 HG22 ILE 6 HG22 ILE 6 5.318 0.500 5.522 33 HG23 ILE 6 HG23 ILE 6 5.598 2.224 5.280 34 HD11 ILE 6 HD11 ILE 6 6.737 2.045 2.511 35 HD12 ILE 6 HD12 ILE 6 8.384 2.525 2.101 36 HD13 ILE 6 HD13 ILE 6 7.999 0.824 2.355 37 H ALA 7 H ALA 7 6.133 1.697 8.333 38 HA ALA 7 HA ALA 7 5.612 -1.129 8.967 39 HB1 ALA 7 HB1 ALA 7 4.993 -0.404 11.204 40 HB2 ALA 7 HB2 ALA 7 6.625 0.136 10.811 41 HB3 ALA 7 HB3 ALA 7 5.283 1.279 10.759 42 H PHE 8 H PHE 8 3.756 -1.810 8.143 43 HA PHE 8 HA PHE 8 1.633 0.047 7.508 44 HB2 PHE 8 HB2 PHE 8 1.948 -2.931 7.132 45 HB3 PHE 8 HB3 PHE 8 0.492 -2.054 6.688 46 HD1 PHE 8 HD1 PHE 8 0.644 -0.249 4.954 47 HD2 PHE 8 HD2 PHE 8 3.814 -2.980 5.714 48 HE1 PHE 8 HE1 PHE 8 1.625 0.287 2.764 49 HE2 PHE 8 HE2 PHE 8 4.806 -2.442 3.530 50 HZ PHE 8 HZ PHE 8 3.711 -0.807 2.050 51 H ARG 9 H ARG 9 -0.413 0.060 8.403 52 HA ARG 9 HA ARG 9 -0.543 -0.961 11.140 53 HB2 ARG 9 HB2 ARG 9 -2.463 0.891 9.718 54 HB3 ARG 9 HB3 ARG 9 -2.388 0.571 11.443 55 HG2 ARG 9 HG2 ARG 9 -0.225 1.670 11.576 56 HG3 ARG 9 HG3 ARG 9 -0.246 1.945 9.833 57 HD2 ARG 9 HD2 ARG 9 -2.358 3.230 10.139 58 HD3 ARG 9 HD3 ARG 9 -2.144 3.078 11.880 59 HE ARG 9 HE ARG 9 0.185 4.184 10.777 60 HH11 ARG 9 HH11 ARG 9 -3.150 4.994 11.433 61 HH12 ARG 9 HH12 ARG 9 -2.875 6.714 11.431 62 HH21 ARG 9 HH21 ARG 9 0.580 6.446 10.839 63 HH22 ARG 9 HH22 ARG 9 -0.745 7.533 11.151 64 H GLU 10 H GLU 10 -1.749 -2.689 11.657 65 HA GLU 10 HA GLU 10 -3.478 -3.912 9.682 66 HB2 GLU 10 HB2 GLU 10 -2.027 -5.256 11.227 67 HB3 GLU 10 HB3 GLU 10 -3.013 -4.703 12.570 68 HG2 GLU 10 HG2 GLU 10 -3.760 -6.871 12.039 69 HG3 GLU 10 HG3 GLU 10 -4.985 -5.761 11.429 70 H LEU 11 H LEU 11 -5.207 -2.605 9.367 71 HA LEU 11 HA LEU 11 -7.008 -2.144 11.634 72 HB2 LEU 11 HB2 LEU 11 -5.457 -0.118 10.977 73 HB3 LEU 11 HB3 LEU 11 -6.550 0.038 9.624 74 HG LEU 11 HG LEU 11 -8.425 0.361 11.169 75 HD11 LEU 11 HD11 LEU 11 -7.960 0.721 13.562 76 HD12 LEU 11 HD12 LEU 11 -7.650 -0.939 13.054 77 HD13 LEU 11 HD13 LEU 11 -6.303 0.173 13.304 78 HD21 LEU 11 HD21 LEU 11 -6.062 2.171 11.668 79 HD22 LEU 11 HD22 LEU 11 -7.218 2.302 10.340 80 HD23 LEU 11 HD23 LEU 11 -7.747 2.571 12.002 81 H SER 12 H SER 12 -9.210 -1.414 10.791 82 HA SER 12 HA SER 12 -9.884 -3.017 8.485 83 HB2 SER 12 HB2 SER 12 -12.215 -2.357 8.985 84 HB3 SER 12 HB3 SER 12 -11.404 -3.036 10.389 85 HG SER 12 HG SER 12 -11.386 -1.109 11.351 86 H PHE 13 H PHE 13 -11.430 -2.053 6.889 87 HA PHE 13 HA PHE 13 -10.114 -0.005 5.475 88 HB2 PHE 13 HB2 PHE 13 -11.469 -1.745 4.382 89 HB3 PHE 13 HB3 PHE 13 -12.923 -1.041 5.080 90 HD1 PHE 13 HD1 PHE 13 -10.086 -0.291 2.815 91 HD2 PHE 13 HD2 PHE 13 -14.070 0.652 3.966 92 HE1 PHE 13 HE1 PHE 13 -10.296 1.189 0.862 93 HE2 PHE 13 HE2 PHE 13 -14.289 2.137 2.016 94 HZ PHE 13 HZ PHE 13 -12.399 2.405 0.458 95 HA PRO 14 HA PRO 14 -13.860 2.880 6.677 96 HB2 PRO 14 HB2 PRO 14 -15.034 2.280 9.093 97 HB3 PRO 14 HB3 PRO 14 -15.695 1.826 7.520 98 HG2 PRO 14 HG2 PRO 14 -14.100 0.199 9.450 99 HG3 PRO 14 HG3 PRO 14 -15.494 -0.278 8.462 100 HD2 PRO 14 HD2 PRO 14 -12.978 -0.943 7.788 101 HD3 PRO 14 HD3 PRO 14 -14.202 -0.567 6.559 102 H GLU 15 H GLU 15 -12.091 1.381 9.369 103 HA GLU 15 HA GLU 15 -11.788 3.704 10.922 104 HB2 GLU 15 HB2 GLU 15 -10.272 1.119 10.752 105 HB3 GLU 15 HB3 GLU 15 -9.759 2.400 11.839 106 HG2 GLU 15 HG2 GLU 15 -11.965 2.330 12.928 107 HG3 GLU 15 HG3 GLU 15 -12.439 1.024 11.841 108 H ALA 16 H ALA 16 -9.443 2.122 8.729 109 HA ALA 16 HA ALA 16 -7.482 4.089 8.885 110 HB1 ALA 16 HB1 ALA 16 -8.127 2.270 6.566 111 HB2 ALA 16 HB2 ALA 16 -6.625 3.174 6.769 112 HB3 ALA 16 HB3 ALA 16 -7.055 1.905 7.919 113 H LEU 17 H LEU 17 -10.253 3.809 6.701 114 HA LEU 17 HA LEU 17 -9.740 5.977 5.015 115 HB2 LEU 17 HB2 LEU 17 -11.539 4.257 4.755 116 HB3 LEU 17 HB3 LEU 17 -12.434 5.070 6.019 117 HG LEU 17 HG LEU 17 -12.506 7.114 4.604 118 HD11 LEU 17 HD11 LEU 17 -11.346 5.302 2.492 119 HD12 LEU 17 HD12 LEU 17 -11.970 6.932 2.232 120 HD13 LEU 17 HD13 LEU 17 -10.538 6.685 3.233 121 HD21 LEU 17 HD21 LEU 17 -14.180 6.249 3.025 122 HD22 LEU 17 HD22 LEU 17 -13.664 4.604 3.398 123 HD23 LEU 17 HD23 LEU 17 -14.396 5.606 4.652 124 H LYS 18 H LYS 18 -11.633 5.837 7.996 125 HA LYS 18 HA LYS 18 -12.309 8.531 8.217 126 HB2 LYS 18 HB2 LYS 18 -13.314 6.804 9.610 127 HB3 LYS 18 HB3 LYS 18 -11.773 6.495 10.391 128 HG2 LYS 18 HG2 LYS 18 -13.276 7.799 11.802 129 HG3 LYS 18 HG3 LYS 18 -11.810 8.695 11.401 130 HD2 LYS 18 HD2 LYS 18 -12.977 9.997 9.765 131 HD3 LYS 18 HD3 LYS 18 -14.421 8.996 9.924 132 HE2 LYS 18 HE2 LYS 18 -13.252 10.655 12.151 133 HE3 LYS 18 HE3 LYS 18 -14.558 11.193 11.096 134 HZ1 LYS 18 HZ1 LYS 18 -15.925 9.381 11.875 135 HZ2 LYS 18 HZ2 LYS 18 -14.662 8.785 12.841 136 HZ3 LYS 18 HZ3 LYS 18 -15.375 10.284 13.199 137 H ARG 19 H ARG 19 -9.444 6.806 9.377 138 HA ARG 19 HA ARG 19 -8.219 8.899 10.749 139 HB2 ARG 19 HB2 ARG 19 -7.116 6.487 9.330 140 HB3 ARG 19 HB3 ARG 19 -6.071 7.632 10.158 141 HG2 ARG 19 HG2 ARG 19 -8.328 6.108 11.437 142 HG3 ARG 19 HG3 ARG 19 -6.617 5.687 11.546 143 HD2 ARG 19 HD2 ARG 19 -6.152 7.824 12.625 144 HD3 ARG 19 HD3 ARG 19 -7.850 8.272 12.492 145 HE ARG 19 HE ARG 19 -8.080 6.042 13.894 146 HH11 ARG 19 HH11 ARG 19 -5.724 8.619 14.229 147 HH12 ARG 19 HH12 ARG 19 -5.571 8.426 15.948 148 HH21 ARG 19 HH21 ARG 19 -7.911 5.808 16.157 149 HH22 ARG 19 HH22 ARG 19 -6.811 6.822 17.046 150 H ALA 20 H ALA 20 -7.834 7.921 7.347 151 HA ALA 20 HA ALA 20 -5.949 9.940 6.729 152 HB1 ALA 20 HB1 ALA 20 -7.819 8.505 4.858 153 HB2 ALA 20 HB2 ALA 20 -6.350 9.372 4.414 154 HB3 ALA 20 HB3 ALA 20 -6.248 7.905 5.391 155 H GLU 21 H GLU 21 -9.439 9.863 6.742 156 HA GLU 21 HA GLU 21 -9.922 12.228 5.291 157 HB2 GLU 21 HB2 GLU 21 -11.673 10.586 5.811 158 HB3 GLU 21 HB3 GLU 21 -11.535 10.971 7.520 159 HG2 GLU 21 HG2 GLU 21 -13.467 12.056 6.629 160 HG3 GLU 21 HG3 GLU 21 -12.257 13.277 7.022 161 H VAL 22 H VAL 22 -9.488 11.635 8.762 162 HA VAL 22 HA VAL 22 -9.827 14.407 9.445 163 HB VAL 22 HB VAL 22 -8.762 12.136 11.133 164 HG11 VAL 22 HG11 VAL 22 -9.827 14.840 11.941 165 HG12 VAL 22 HG12 VAL 22 -9.346 13.547 13.041 166 HG13 VAL 22 HG13 VAL 22 -8.141 14.325 12.014 167 HG21 VAL 22 HG21 VAL 22 -11.028 12.040 12.067 168 HG22 VAL 22 HG22 VAL 22 -11.554 13.257 10.903 169 HG23 VAL 22 HG23 VAL 22 -11.012 11.674 10.341 170 H GLU 23 H GLU 23 -7.092 12.214 9.023 171 HA GLU 23 HA GLU 23 -5.203 14.210 9.938 172 HB2 GLU 23 HB2 GLU 23 -5.080 11.672 10.316 173 HB3 GLU 23 HB3 GLU 23 -4.516 11.577 8.654 174 HG2 GLU 23 HG2 GLU 23 -2.555 12.767 9.141 175 HG3 GLU 23 HG3 GLU 23 -3.181 13.328 10.692 176 H ASP 24 H ASP 24 -6.830 13.708 7.131 177 HA ASP 24 HA ASP 24 -6.777 14.783 5.138 178 HB2 ASP 24 HB2 ASP 24 -6.194 16.700 6.684 179 HB3 ASP 24 HB3 ASP 24 -4.505 16.421 6.271 180 H LYS 25 H LYS 25 -5.586 12.426 4.948 181 HA LYS 25 HA LYS 25 -3.475 12.946 3.010 182 HB2 LYS 25 HB2 LYS 25 -3.138 11.088 5.366 183 HB3 LYS 25 HB3 LYS 25 -2.119 11.024 3.930 184 HG2 LYS 25 HG2 LYS 25 -1.405 13.319 4.325 185 HG3 LYS 25 HG3 LYS 25 -2.436 13.402 5.752 186 HD2 LYS 25 HD2 LYS 25 -0.154 11.471 5.373 187 HD3 LYS 25 HD3 LYS 25 -0.063 12.977 6.289 188 HE2 LYS 25 HE2 LYS 25 -1.853 12.142 7.769 189 HE3 LYS 25 HE3 LYS 25 -1.845 10.619 6.882 190 HZ1 LYS 25 HZ1 LYS 25 0.414 10.238 7.566 191 HZ2 LYS 25 HZ2 LYS 25 0.488 11.745 8.334 192 HZ3 LYS 25 HZ3 LYS 25 -0.537 10.537 8.939 193 H LEU 26 H LEU 26 -2.797 10.546 2.150 194 HA LEU 26 HA LEU 26 -5.361 9.535 1.155 195 HB2 LEU 26 HB2 LEU 26 -2.578 9.362 0.005 196 HB3 LEU 26 HB3 LEU 26 -3.955 8.519 -0.672 197 HG LEU 26 HG LEU 26 -3.680 10.423 -2.011 198 HD11 LEU 26 HD11 LEU 26 -5.801 11.099 0.015 199 HD12 LEU 26 HD12 LEU 26 -5.677 11.765 -1.614 200 HD13 LEU 26 HD13 LEU 26 -5.993 10.044 -1.386 201 HD21 LEU 26 HD21 LEU 26 -3.431 12.691 -1.159 202 HD22 LEU 26 HD22 LEU 26 -3.475 12.083 0.496 203 HD23 LEU 26 HD23 LEU 26 -2.140 11.644 -0.569 204 H LEU 27 H LEU 27 -5.606 7.259 0.752 205 HA LEU 27 HA LEU 27 -4.457 5.657 2.898 206 HB2 LEU 27 HB2 LEU 27 -6.684 5.141 0.934 207 HB3 LEU 27 HB3 LEU 27 -6.083 3.913 2.023 208 HG LEU 27 HG LEU 27 -8.042 4.739 3.004 209 HD11 LEU 27 HD11 LEU 27 -6.240 4.444 4.584 210 HD12 LEU 27 HD12 LEU 27 -5.713 6.107 4.330 211 HD13 LEU 27 HD13 LEU 27 -7.276 5.782 5.079 212 HD21 LEU 27 HD21 LEU 27 -6.992 7.526 2.549 213 HD22 LEU 27 HD22 LEU 27 -8.315 6.749 1.679 214 HD23 LEU 27 HD23 LEU 27 -8.484 7.113 3.396 215 H PHE 28 H PHE 28 -2.652 4.548 2.515 216 HA PHE 28 HA PHE 28 -2.285 3.386 -0.160 217 HB2 PHE 28 HB2 PHE 28 -0.381 4.729 0.673 218 HB3 PHE 28 HB3 PHE 28 -0.266 3.677 2.082 219 HD1 PHE 28 HD1 PHE 28 0.173 3.869 -1.564 220 HD2 PHE 28 HD2 PHE 28 0.762 1.533 1.945 221 HE1 PHE 28 HE1 PHE 28 1.649 2.355 -2.823 222 HE2 PHE 28 HE2 PHE 28 2.241 0.021 0.692 223 HZ PHE 28 HZ PHE 28 2.686 0.429 -1.692 224 H VAL 29 H VAL 29 -3.379 1.528 -0.170 225 HA VAL 29 HA VAL 29 -3.327 -0.155 2.223 226 HB VAL 29 HB VAL 29 -4.997 -0.522 -0.268 227 HG11 VAL 29 HG11 VAL 29 -5.235 -1.714 2.491 228 HG12 VAL 29 HG12 VAL 29 -6.365 -1.965 1.160 229 HG13 VAL 29 HG13 VAL 29 -4.708 -2.556 1.034 230 HG21 VAL 29 HG21 VAL 29 -6.849 0.448 1.010 231 HG22 VAL 29 HG22 VAL 29 -5.745 0.798 2.341 232 HG23 VAL 29 HG23 VAL 29 -5.539 1.608 0.789 233 H ASP 30 H ASP 30 -1.723 -1.531 2.319 234 HA ASP 30 HA ASP 30 -0.437 -2.614 -0.025 235 HB2 ASP 30 HB2 ASP 30 0.931 -2.137 1.926 236 HB3 ASP 30 HB3 ASP 30 -0.081 -3.165 2.932 237 H CYS 31 H CYS 31 -1.803 -3.902 -1.132 238 HA CYS 31 HA CYS 31 -3.201 -6.028 0.316 239 HB2 CYS 31 HB2 CYS 31 -3.429 -5.300 -2.616 240 HB3 CYS 31 HB3 CYS 31 -4.509 -6.341 -1.692 241 HG CYS 31 HG CYS 31 -4.179 -3.162 -0.612 242 H PHE 32 H PHE 32 -2.065 -7.834 0.551 243 HA PHE 32 HA PHE 32 -0.557 -8.853 -1.735 244 HB2 PHE 32 HB2 PHE 32 1.420 -9.290 -0.419 245 HB3 PHE 32 HB3 PHE 32 1.026 -7.581 -0.277 246 HD1 PHE 32 HD1 PHE 32 -0.362 -6.901 1.819 247 HD2 PHE 32 HD2 PHE 32 1.819 -10.542 1.482 248 HE1 PHE 32 HE1 PHE 32 -0.326 -7.102 4.270 249 HE2 PHE 32 HE2 PHE 32 1.854 -10.746 3.932 250 HZ PHE 32 HZ PHE 32 0.781 -9.027 5.326 251 H THR 33 H THR 33 -0.162 -11.109 -1.648 252 HA THR 33 HA THR 33 -1.975 -12.531 0.164 253 HB THR 33 HB THR 33 -2.283 -13.012 -2.213 254 HG1 THR 33 HG1 THR 33 -2.622 -14.753 -0.762 255 HG21 THR 33 HG21 THR 33 -0.011 -12.528 -2.987 256 HG22 THR 33 HG22 THR 33 0.572 -13.988 -2.185 257 HG23 THR 33 HG23 THR 33 -0.557 -14.114 -3.535 258 H THR 34 H THR 34 -1.215 -14.422 1.281 259 HA THR 34 HA THR 34 1.337 -13.910 2.486 260 HB THR 34 HB THR 34 0.773 -15.951 3.868 261 HG1 THR 34 HG1 THR 34 -1.680 -15.751 2.391 262 HG21 THR 34 HG21 THR 34 0.235 -13.669 4.589 263 HG22 THR 34 HG22 THR 34 -1.301 -13.760 3.726 264 HG23 THR 34 HG23 THR 34 -1.000 -14.815 5.108 265 H TRP 35 H TRP 35 1.010 -15.021 -0.365 266 HA TRP 35 HA TRP 35 2.098 -17.544 -0.646 267 HB2 TRP 35 HB2 TRP 35 1.219 -16.286 -2.525 268 HB3 TRP 35 HB3 TRP 35 2.477 -15.071 -2.348 269 HD1 TRP 35 HD1 TRP 35 4.201 -15.304 -4.203 270 HE1 TRP 35 HE1 TRP 35 5.280 -17.247 -5.506 271 HE3 TRP 35 HE3 TRP 35 1.779 -19.189 -1.966 272 HZ2 TRP 35 HZ2 TRP 35 5.110 -20.067 -5.570 273 HZ3 TRP 35 HZ3 TRP 35 2.288 -21.488 -2.699 274 HH2 TRP 35 HH2 TRP 35 3.923 -21.913 -4.464 275 H CYS 36 H CYS 36 3.654 -14.519 0.106 276 HA CYS 36 HA CYS 36 5.692 -14.004 0.934 277 HB2 CYS 36 HB2 CYS 36 5.652 -16.158 2.162 278 HB3 CYS 36 HB3 CYS 36 6.350 -16.953 0.757 279 HG CYS 36 HG CYS 36 8.794 -16.552 1.402 280 H GLY 37 H GLY 37 8.021 -13.904 0.200 281 HA2 GLY 37 HA2 GLY 37 9.557 -14.304 -1.655 282 HA3 GLY 37 HA3 GLY 37 8.156 -14.339 -2.715 283 HA PRO 38 HA PRO 38 9.032 -10.217 -3.967 284 HB2 PRO 38 HB2 PRO 38 6.388 -9.347 -4.221 285 HB3 PRO 38 HB3 PRO 38 7.345 -10.142 -5.471 286 HG2 PRO 38 HG2 PRO 38 5.322 -11.288 -3.606 287 HG3 PRO 38 HG3 PRO 38 5.654 -11.701 -5.298 288 HD2 PRO 38 HD2 PRO 38 6.470 -13.274 -3.300 289 HD3 PRO 38 HD3 PRO 38 7.476 -13.028 -4.743 290 H CYS 39 H CYS 39 6.386 -10.512 -1.590 291 HA CYS 39 HA CYS 39 6.524 -7.834 -0.709 292 HB2 CYS 39 HB2 CYS 39 5.241 -8.733 1.290 293 HB3 CYS 39 HB3 CYS 39 4.512 -9.018 -0.289 294 HG CYS 39 HG CYS 39 4.262 -11.212 1.593 295 H LYS 40 H LYS 40 8.262 -10.718 0.204 296 HA LYS 40 HA LYS 40 9.352 -9.559 2.604 297 HB2 LYS 40 HB2 LYS 40 10.229 -12.047 1.127 298 HB3 LYS 40 HB3 LYS 40 10.679 -11.595 2.766 299 HG2 LYS 40 HG2 LYS 40 7.933 -12.348 1.788 300 HG3 LYS 40 HG3 LYS 40 8.985 -13.291 2.844 301 HD2 LYS 40 HD2 LYS 40 8.827 -11.535 4.554 302 HD3 LYS 40 HD3 LYS 40 7.760 -10.609 3.495 303 HE2 LYS 40 HE2 LYS 40 6.201 -12.566 3.498 304 HE3 LYS 40 HE3 LYS 40 7.225 -13.308 4.726 305 HZ1 LYS 40 HZ1 LYS 40 5.322 -12.157 5.692 306 HZ2 LYS 40 HZ2 LYS 40 6.778 -11.443 6.190 307 HZ3 LYS 40 HZ3 LYS 40 5.830 -10.698 4.997 308 H ARG 41 H ARG 41 10.467 -10.174 -0.705 309 HA ARG 41 HA ARG 41 13.092 -9.229 -0.409 310 HB2 ARG 41 HB2 ARG 41 11.238 -9.214 -2.791 311 HB3 ARG 41 HB3 ARG 41 12.922 -8.735 -2.875 312 HG2 ARG 41 HG2 ARG 41 13.552 -10.996 -2.075 313 HG3 ARG 41 HG3 ARG 41 11.847 -11.448 -2.166 314 HD2 ARG 41 HD2 ARG 41 11.818 -10.976 -4.543 315 HD3 ARG 41 HD3 ARG 41 13.492 -10.426 -4.477 316 HE ARG 41 HE ARG 41 12.768 -13.201 -3.789 317 HH11 ARG 41 HH11 ARG 41 14.625 -10.888 -5.651 318 HH12 ARG 41 HH12 ARG 41 15.599 -12.104 -6.433 319 HH21 ARG 41 HH21 ARG 41 14.032 -14.807 -4.834 320 HH22 ARG 41 HH22 ARG 41 15.241 -14.329 -5.991 321 H LEU 42 H LEU 42 10.070 -7.580 -1.174 322 HA LEU 42 HA LEU 42 11.056 -5.010 -1.631 323 HB2 LEU 42 HB2 LEU 42 8.694 -5.883 -1.961 324 HB3 LEU 42 HB3 LEU 42 8.460 -5.667 -0.239 325 HG LEU 42 HG LEU 42 8.989 -3.230 -0.553 326 HD11 LEU 42 HD11 LEU 42 8.855 -2.312 -2.801 327 HD12 LEU 42 HD12 LEU 42 10.204 -3.442 -2.670 328 HD13 LEU 42 HD13 LEU 42 8.713 -3.937 -3.471 329 HD21 LEU 42 HD21 LEU 42 6.635 -4.343 -2.073 330 HD22 LEU 42 HD22 LEU 42 6.699 -4.033 -0.337 331 HD23 LEU 42 HD23 LEU 42 6.788 -2.690 -1.478 332 H SER 43 H SER 43 10.329 -6.720 1.340 333 HA SER 43 HA SER 43 10.591 -4.503 3.088 334 HB2 SER 43 HB2 SER 43 10.839 -7.466 3.657 335 HB3 SER 43 HB3 SER 43 10.662 -6.202 4.875 336 HG SER 43 HG SER 43 8.783 -6.614 2.785 337 H LYS 44 H LYS 44 12.848 -6.716 1.648 338 HA LYS 44 HA LYS 44 14.966 -6.445 3.485 339 HB2 LYS 44 HB2 LYS 44 15.004 -7.112 0.541 340 HB3 LYS 44 HB3 LYS 44 16.390 -7.263 1.611 341 HG2 LYS 44 HG2 LYS 44 15.207 -8.917 2.934 342 HG3 LYS 44 HG3 LYS 44 13.787 -8.749 1.904 343 HD2 LYS 44 HD2 LYS 44 15.096 -10.722 1.300 344 HD3 LYS 44 HD3 LYS 44 15.070 -9.540 -0.010 345 HE2 LYS 44 HE2 LYS 44 17.300 -10.453 0.247 346 HE3 LYS 44 HE3 LYS 44 17.286 -8.745 0.679 347 HZ1 LYS 44 HZ1 LYS 44 17.264 -11.031 2.579 348 HZ2 LYS 44 HZ2 LYS 44 18.577 -10.011 2.257 349 HZ3 LYS 44 HZ3 LYS 44 17.193 -9.401 3.026 350 H VAL 45 H VAL 45 14.016 -4.547 0.687 351 HA VAL 45 HA VAL 45 16.418 -2.891 1.036 352 HB VAL 45 HB VAL 45 16.242 -3.872 -1.153 353 HG11 VAL 45 HG11 VAL 45 14.458 -3.356 -2.725 354 HG12 VAL 45 HG12 VAL 45 13.855 -4.216 -1.309 355 HG13 VAL 45 HG13 VAL 45 13.604 -2.476 -1.456 356 HG21 VAL 45 HG21 VAL 45 17.259 -1.678 -1.017 357 HG22 VAL 45 HG22 VAL 45 16.391 -1.853 -2.544 358 HG23 VAL 45 HG23 VAL 45 15.682 -0.919 -1.228 359 H VAL 46 H VAL 46 12.976 -2.572 0.282 360 HA VAL 46 HA VAL 46 12.996 0.273 0.505 361 HB VAL 46 HB VAL 46 10.613 -1.590 0.536 362 HG11 VAL 46 HG11 VAL 46 9.352 0.366 -0.229 363 HG12 VAL 46 HG12 VAL 46 10.067 0.637 1.362 364 HG13 VAL 46 HG13 VAL 46 10.800 1.360 -0.070 365 HG21 VAL 46 HG21 VAL 46 11.949 -0.168 -1.765 366 HG22 VAL 46 HG22 VAL 46 11.979 -1.906 -1.455 367 HG23 VAL 46 HG23 VAL 46 10.459 -1.109 -1.859 368 H PHE 47 H PHE 47 12.110 -2.338 2.696 369 HA PHE 47 HA PHE 47 11.081 -0.497 4.685 370 HB2 PHE 47 HB2 PHE 47 11.477 -3.496 4.703 371 HB3 PHE 47 HB3 PHE 47 10.824 -2.595 6.064 372 HD1 PHE 47 HD1 PHE 47 10.161 -2.420 2.385 373 HD2 PHE 47 HD2 PHE 47 8.605 -3.094 6.287 374 HE1 PHE 47 HE1 PHE 47 7.905 -2.657 1.438 375 HE2 PHE 47 HE2 PHE 47 6.346 -3.338 5.346 376 HZ PHE 47 HZ PHE 47 5.994 -3.120 2.917 377 H LYS 48 H LYS 48 13.730 0.021 4.009 378 HA LYS 48 HA LYS 48 15.109 -0.607 6.526 379 HB2 LYS 48 HB2 LYS 48 16.050 -2.081 4.826 380 HB3 LYS 48 HB3 LYS 48 16.317 -0.711 3.756 381 HG2 LYS 48 HG2 LYS 48 17.808 0.221 5.606 382 HG3 LYS 48 HG3 LYS 48 17.743 -1.400 6.301 383 HD2 LYS 48 HD2 LYS 48 18.667 -0.728 3.508 384 HD3 LYS 48 HD3 LYS 48 19.724 -1.068 4.878 385 HE2 LYS 48 HE2 LYS 48 18.884 -3.316 5.034 386 HE3 LYS 48 HE3 LYS 48 17.675 -2.993 3.791 387 HZ1 LYS 48 HZ1 LYS 48 19.601 -4.195 2.922 388 HZ2 LYS 48 HZ2 LYS 48 19.423 -2.676 2.187 389 HZ3 LYS 48 HZ3 LYS 48 20.615 -2.909 3.372 390 H ASP 49 H ASP 49 15.096 1.391 3.605 391 HA ASP 49 HA ASP 49 16.959 3.285 4.517 392 HB2 ASP 49 HB2 ASP 49 16.347 2.932 2.127 393 HB3 ASP 49 HB3 ASP 49 14.806 3.729 2.443 394 H SER 50 H SER 50 16.811 4.964 5.800 395 HA SER 50 HA SER 50 14.540 5.318 7.432 396 HB2 SER 50 HB2 SER 50 15.846 7.268 8.350 397 HB3 SER 50 HB3 SER 50 16.717 5.734 8.344 398 HG SER 50 HG SER 50 17.691 6.449 6.337 399 H LEU 51 H LEU 51 15.797 7.162 4.687 400 HA LEU 51 HA LEU 51 14.011 9.351 5.025 401 HB2 LEU 51 HB2 LEU 51 15.883 8.468 2.881 402 HB3 LEU 51 HB3 LEU 51 14.669 9.667 2.490 403 HG LEU 51 HG LEU 51 16.738 10.771 3.037 404 HD11 LEU 51 HD11 LEU 51 15.975 12.242 4.822 405 HD12 LEU 51 HD12 LEU 51 14.663 11.863 3.705 406 HD13 LEU 51 HD13 LEU 51 14.742 11.065 5.276 407 HD21 LEU 51 HD21 LEU 51 17.761 10.584 5.252 408 HD22 LEU 51 HD22 LEU 51 16.588 9.340 5.688 409 HD23 LEU 51 HD23 LEU 51 17.760 9.038 4.406 410 H VAL 52 H VAL 52 14.084 6.629 2.731 411 HA VAL 52 HA VAL 52 11.684 7.254 1.416 412 HB VAL 52 HB VAL 52 12.942 4.533 1.837 413 HG11 VAL 52 HG11 VAL 52 10.843 5.412 -0.149 414 HG12 VAL 52 HG12 VAL 52 11.638 3.836 -0.122 415 HG13 VAL 52 HG13 VAL 52 10.594 4.320 1.214 416 HG21 VAL 52 HG21 VAL 52 13.140 6.478 -0.462 417 HG22 VAL 52 HG22 VAL 52 14.411 6.123 0.707 418 HG23 VAL 52 HG23 VAL 52 13.861 4.869 -0.405 419 H ALA 53 H ALA 53 12.270 5.071 4.164 420 HA ALA 53 HA ALA 53 9.628 4.176 4.449 421 HB1 ALA 53 HB1 ALA 53 11.734 4.445 6.586 422 HB2 ALA 53 HB2 ALA 53 10.287 3.436 6.664 423 HB3 ALA 53 HB3 ALA 53 11.551 3.077 5.488 424 H ASP 54 H ASP 54 11.300 6.940 5.883 425 HA ASP 54 HA ASP 54 9.174 7.638 7.643 426 HB2 ASP 54 HB2 ASP 54 11.451 8.358 8.100 427 HB3 ASP 54 HB3 ASP 54 11.490 9.283 6.602 428 H TYR 55 H TYR 55 10.267 8.954 4.531 429 HA TYR 55 HA TYR 55 8.349 10.972 4.283 430 HB2 TYR 55 HB2 TYR 55 10.334 10.884 2.872 431 HB3 TYR 55 HB3 TYR 55 9.784 9.379 2.148 432 HD1 TYR 55 HD1 TYR 55 9.119 13.008 2.375 433 HD2 TYR 55 HD2 TYR 55 8.245 9.381 0.334 434 HE1 TYR 55 HE1 TYR 55 7.988 14.284 0.604 435 HE2 TYR 55 HE2 TYR 55 7.110 10.646 -1.442 436 HH TYR 55 HH TYR 55 7.344 14.075 -1.686 437 H PHE 56 H PHE 56 8.301 7.600 3.275 438 HA PHE 56 HA PHE 56 5.873 7.720 1.826 439 HB2 PHE 56 HB2 PHE 56 7.721 5.962 1.699 440 HB3 PHE 56 HB3 PHE 56 7.028 5.271 3.162 441 HD1 PHE 56 HD1 PHE 56 6.506 5.909 -0.405 442 HD2 PHE 56 HD2 PHE 56 4.980 4.035 3.096 443 HE1 PHE 56 HE1 PHE 56 4.945 4.611 -1.787 444 HE2 PHE 56 HE2 PHE 56 3.422 2.728 1.718 445 HZ PHE 56 HZ PHE 56 3.402 3.016 -0.724 446 H ASN 57 H ASN 57 6.643 6.625 5.114 447 HA ASN 57 HA ASN 57 4.019 5.759 5.727 448 HB2 ASN 57 HB2 ASN 57 6.014 4.902 6.869 449 HB3 ASN 57 HB3 ASN 57 6.296 6.484 7.581 450 HD21 ASN 57 HD21 ASN 57 4.201 3.701 7.536 451 HD22 ASN 57 HD22 ASN 57 3.493 3.974 9.089 452 H ARG 58 H ARG 58 5.639 8.854 6.069 453 HA ARG 58 HA ARG 58 3.659 9.954 7.812 454 HB2 ARG 58 HB2 ARG 58 5.764 11.277 6.106 455 HB3 ARG 58 HB3 ARG 58 4.671 12.168 7.156 456 HG2 ARG 58 HG2 ARG 58 5.550 10.778 9.061 457 HG3 ARG 58 HG3 ARG 58 6.786 10.189 7.947 458 HD2 ARG 58 HD2 ARG 58 7.445 12.553 7.531 459 HD3 ARG 58 HD3 ARG 58 6.308 13.044 8.787 460 HE ARG 58 HE ARG 58 8.445 11.133 9.432 461 HH11 ARG 58 HH11 ARG 58 7.033 14.326 9.821 462 HH12 ARG 58 HH12 ARG 58 8.032 14.733 11.183 463 HH21 ARG 58 HH21 ARG 58 9.727 11.659 11.221 464 HH22 ARG 58 HH22 ARG 58 9.556 13.206 11.991 465 H HIS 59 H HIS 59 4.267 10.231 4.313 466 HA HIS 59 HA HIS 59 2.119 12.101 3.981 467 HB2 HIS 59 HB2 HIS 59 3.933 10.682 2.054 468 HB3 HIS 59 HB3 HIS 59 2.577 11.649 1.486 469 HD1 HIS 59 HD1 HIS 59 3.057 14.051 1.119 470 HD2 HIS 59 HD2 HIS 59 5.773 12.290 3.741 471 HE1 HIS 59 HE1 HIS 59 4.774 15.825 1.624 472 HE2 HIS 59 HE2 HIS 59 6.383 14.756 3.249 473 H PHE 60 H PHE 60 2.442 8.629 3.574 474 HA PHE 60 HA PHE 60 -0.382 8.582 2.743 475 HB2 PHE 60 HB2 PHE 60 1.797 6.599 2.083 476 HB3 PHE 60 HB3 PHE 60 0.099 6.390 1.680 477 HD1 PHE 60 HD1 PHE 60 -0.975 7.886 0.033 478 HD2 PHE 60 HD2 PHE 60 3.216 7.988 0.771 479 HE1 PHE 60 HE1 PHE 60 -0.634 9.094 -2.084 480 HE2 PHE 60 HE2 PHE 60 3.563 9.199 -1.345 481 HZ PHE 60 HZ PHE 60 1.634 9.752 -2.776 482 H VAL 61 H VAL 61 -1.772 7.385 3.901 483 HA VAL 61 HA VAL 61 -0.906 6.357 6.442 484 HB VAL 61 HB VAL 61 -3.613 6.070 5.115 485 HG11 VAL 61 HG11 VAL 61 -2.753 5.725 7.984 486 HG12 VAL 61 HG12 VAL 61 -4.425 5.727 7.424 487 HG13 VAL 61 HG13 VAL 61 -3.318 4.463 6.892 488 HG21 VAL 61 HG21 VAL 61 -2.646 8.153 7.071 489 HG22 VAL 61 HG22 VAL 61 -3.006 8.418 5.366 490 HG23 VAL 61 HG23 VAL 61 -4.299 7.980 6.482 491 H ASN 62 H ASN 62 0.129 4.485 6.564 492 HA ASN 62 HA ASN 62 -0.042 2.570 4.423 493 HB2 ASN 62 HB2 ASN 62 1.542 2.543 6.999 494 HB3 ASN 62 HB3 ASN 62 1.662 1.310 5.749 495 HD21 ASN 62 HD21 ASN 62 1.300 3.399 3.641 496 HD22 ASN 62 HD22 ASN 62 2.832 4.188 3.538 497 H LEU 63 H LEU 63 -1.802 1.377 4.346 498 HA LEU 63 HA LEU 63 -2.802 0.146 6.823 499 HB2 LEU 63 HB2 LEU 63 -4.441 1.478 5.595 500 HB3 LEU 63 HB3 LEU 63 -4.133 0.550 4.141 501 HG LEU 63 HG LEU 63 -5.048 -1.460 5.254 502 HD11 LEU 63 HD11 LEU 63 -6.251 -1.232 7.360 503 HD12 LEU 63 HD12 LEU 63 -4.542 -0.845 7.564 504 HD13 LEU 63 HD13 LEU 63 -5.736 0.451 7.482 505 HD21 LEU 63 HD21 LEU 63 -6.474 -0.061 3.859 506 HD22 LEU 63 HD22 LEU 63 -7.387 -0.744 5.204 507 HD23 LEU 63 HD23 LEU 63 -6.872 0.942 5.254 508 H LYS 64 H LYS 64 -2.494 -1.963 7.121 509 HA LYS 64 HA LYS 64 -1.391 -3.537 4.914 510 HB2 LYS 64 HB2 LYS 64 -0.101 -3.602 6.951 511 HB3 LYS 64 HB3 LYS 64 -1.522 -4.025 7.894 512 HG2 LYS 64 HG2 LYS 64 -1.639 -6.181 6.752 513 HG3 LYS 64 HG3 LYS 64 -0.212 -5.754 5.803 514 HD2 LYS 64 HD2 LYS 64 1.146 -5.662 7.779 515 HD3 LYS 64 HD3 LYS 64 -0.268 -5.875 8.813 516 HE2 LYS 64 HE2 LYS 64 0.766 -7.893 6.827 517 HE3 LYS 64 HE3 LYS 64 1.043 -7.944 8.568 518 HZ1 LYS 64 HZ1 LYS 64 -1.500 -8.321 7.101 519 HZ2 LYS 64 HZ2 LYS 64 -0.752 -9.356 8.212 520 HZ3 LYS 64 HZ3 LYS 64 -1.483 -7.925 8.748 521 H MET 65 H MET 65 -2.729 -4.782 3.762 522 HA MET 65 HA MET 65 -4.862 -6.171 5.208 523 HB2 MET 65 HB2 MET 65 -5.214 -4.420 2.809 524 HB3 MET 65 HB3 MET 65 -6.265 -5.812 3.035 525 HG2 MET 65 HG2 MET 65 -6.855 -4.937 5.273 526 HG3 MET 65 HG3 MET 65 -5.907 -3.494 4.912 527 HE1 MET 65 HE1 MET 65 -9.134 -3.807 5.699 528 HE2 MET 65 HE2 MET 65 -8.232 -2.294 5.657 529 HE3 MET 65 HE3 MET 65 -9.735 -2.450 4.748 530 H ASP 66 H ASP 66 -4.016 -8.145 5.112 531 HA ASP 66 HA ASP 66 -2.819 -9.336 2.855 532 HB2 ASP 66 HB2 ASP 66 -4.391 -10.846 4.941 533 HB3 ASP 66 HB3 ASP 66 -2.985 -11.383 4.035 534 H MET 67 H MET 67 -3.711 -10.472 1.170 535 HA MET 67 HA MET 67 -6.522 -10.138 0.698 536 HB2 MET 67 HB2 MET 67 -4.236 -11.219 -0.861 537 HB3 MET 67 HB3 MET 67 -5.862 -11.703 -1.339 538 HG2 MET 67 HG2 MET 67 -6.501 -9.347 -1.534 539 HG3 MET 67 HG3 MET 67 -4.868 -8.873 -1.072 540 HE1 MET 67 HE1 MET 67 -2.820 -8.934 -2.590 541 HE2 MET 67 HE2 MET 67 -2.926 -10.693 -2.529 542 HE3 MET 67 HE3 MET 67 -2.712 -9.877 -4.079 543 H GLU 68 H GLU 68 -4.863 -12.232 2.543 544 HA GLU 68 HA GLU 68 -7.115 -14.110 2.446 545 HB2 GLU 68 HB2 GLU 68 -4.318 -14.475 3.490 546 HB3 GLU 68 HB3 GLU 68 -5.638 -15.545 3.944 547 HG2 GLU 68 HG2 GLU 68 -4.791 -16.689 2.201 548 HG3 GLU 68 HG3 GLU 68 -5.966 -15.704 1.353 549 H LYS 69 H LYS 69 -8.559 -13.255 3.647 550 HA LYS 69 HA LYS 69 -8.517 -12.761 6.359 551 HB2 LYS 69 HB2 LYS 69 -6.847 -10.973 5.473 552 HB3 LYS 69 HB3 LYS 69 -8.273 -10.163 4.842 553 HG2 LYS 69 HG2 LYS 69 -9.181 -10.234 7.191 554 HG3 LYS 69 HG3 LYS 69 -7.568 -10.724 7.698 555 HD2 LYS 69 HD2 LYS 69 -8.267 -8.178 6.231 556 HD3 LYS 69 HD3 LYS 69 -7.872 -8.308 7.943 557 HE2 LYS 69 HE2 LYS 69 -5.982 -9.178 5.773 558 HE3 LYS 69 HE3 LYS 69 -6.018 -7.529 6.393 559 HZ1 LYS 69 HZ1 LYS 69 -5.376 -8.263 8.526 560 HZ2 LYS 69 HZ2 LYS 69 -5.628 -9.898 8.138 561 HZ3 LYS 69 HZ3 LYS 69 -4.341 -9.049 7.431 562 H GLY 70 H GLY 70 -10.404 -11.050 6.858 563 HA2 GLY 70 HA2 GLY 70 -12.759 -11.950 5.688 564 HA3 GLY 70 HA3 GLY 70 -12.595 -10.442 6.577 565 H GLU 71 H GLU 71 -11.566 -8.617 5.271 566 HA GLU 71 HA GLU 71 -13.051 -8.339 2.824 567 HB2 GLU 71 HB2 GLU 71 -11.232 -6.546 4.385 568 HB3 GLU 71 HB3 GLU 71 -11.677 -6.121 2.741 569 HG2 GLU 71 HG2 GLU 71 -13.135 -4.994 4.261 570 HG3 GLU 71 HG3 GLU 71 -14.052 -6.220 3.391 571 H GLY 72 H GLY 72 -10.075 -9.666 3.560 572 HA2 GLY 72 HA2 GLY 72 -8.397 -8.802 1.503 573 HA3 GLY 72 HA3 GLY 72 -8.290 -10.362 2.296 574 H VAL 73 H VAL 73 -10.546 -11.621 1.555 575 HA VAL 73 HA VAL 73 -10.035 -12.409 -1.109 576 HB VAL 73 HB VAL 73 -11.015 -13.966 0.476 577 HG11 VAL 73 HG11 VAL 73 -12.348 -12.486 1.820 578 HG12 VAL 73 HG12 VAL 73 -13.409 -12.138 0.454 579 HG13 VAL 73 HG13 VAL 73 -13.383 -13.754 1.159 580 HG21 VAL 73 HG21 VAL 73 -12.858 -14.863 -0.899 581 HG22 VAL 73 HG22 VAL 73 -12.870 -13.363 -1.825 582 HG23 VAL 73 HG23 VAL 73 -11.451 -14.409 -1.860 583 H GLU 74 H GLU 74 -12.263 -10.106 0.310 584 HA GLU 74 HA GLU 74 -13.888 -9.736 -1.975 585 HB2 GLU 74 HB2 GLU 74 -14.534 -8.972 0.307 586 HB3 GLU 74 HB3 GLU 74 -13.288 -7.733 0.216 587 HG2 GLU 74 HG2 GLU 74 -14.428 -6.790 -1.766 588 HG3 GLU 74 HG3 GLU 74 -15.709 -7.979 -1.552 589 H LEU 75 H LEU 75 -11.068 -7.965 -0.716 590 HA LEU 75 HA LEU 75 -10.973 -6.005 -2.714 591 HB2 LEU 75 HB2 LEU 75 -8.662 -7.149 -1.139 592 HB3 LEU 75 HB3 LEU 75 -8.672 -5.618 -1.995 593 HG LEU 75 HG LEU 75 -10.387 -6.297 0.394 594 HD11 LEU 75 HD11 LEU 75 -8.010 -4.470 0.132 595 HD12 LEU 75 HD12 LEU 75 -9.015 -4.656 1.569 596 HD13 LEU 75 HD13 LEU 75 -8.046 -6.013 0.985 597 HD21 LEU 75 HD21 LEU 75 -11.519 -4.766 -1.119 598 HD22 LEU 75 HD22 LEU 75 -11.009 -3.928 0.349 599 HD23 LEU 75 HD23 LEU 75 -10.098 -3.722 -1.148 600 H ARG 76 H ARG 76 -9.479 -9.198 -2.552 601 HA ARG 76 HA ARG 76 -7.825 -8.973 -4.804 602 HB2 ARG 76 HB2 ARG 76 -7.808 -10.792 -3.037 603 HB3 ARG 76 HB3 ARG 76 -9.171 -11.511 -3.879 604 HG2 ARG 76 HG2 ARG 76 -7.851 -11.888 -5.837 605 HG3 ARG 76 HG3 ARG 76 -6.502 -10.973 -5.160 606 HD2 ARG 76 HD2 ARG 76 -6.450 -12.670 -3.291 607 HD3 ARG 76 HD3 ARG 76 -7.582 -13.630 -4.241 608 HE ARG 76 HE ARG 76 -5.528 -13.129 -5.961 609 HH11 ARG 76 HH11 ARG 76 -5.771 -14.576 -2.774 610 HH12 ARG 76 HH12 ARG 76 -4.352 -15.553 -2.984 611 HH21 ARG 76 HH21 ARG 76 -3.676 -14.422 -6.231 612 HH22 ARG 76 HH22 ARG 76 -3.162 -15.478 -4.939 613 H LYS 77 H LYS 77 -11.174 -10.043 -4.472 614 HA LYS 77 HA LYS 77 -11.519 -10.634 -7.260 615 HB2 LYS 77 HB2 LYS 77 -12.819 -11.687 -5.386 616 HB3 LYS 77 HB3 LYS 77 -13.626 -10.144 -5.143 617 HG2 LYS 77 HG2 LYS 77 -15.101 -11.448 -6.421 618 HG3 LYS 77 HG3 LYS 77 -14.371 -10.307 -7.554 619 HD2 LYS 77 HD2 LYS 77 -14.377 -12.438 -8.612 620 HD3 LYS 77 HD3 LYS 77 -12.712 -12.096 -8.134 621 HE2 LYS 77 HE2 LYS 77 -12.924 -13.529 -6.209 622 HE3 LYS 77 HE3 LYS 77 -14.637 -13.783 -6.541 623 HZ1 LYS 77 HZ1 LYS 77 -14.042 -14.869 -8.611 624 HZ2 LYS 77 HZ2 LYS 77 -12.393 -14.636 -8.288 625 HZ3 LYS 77 HZ3 LYS 77 -13.316 -15.652 -7.290 626 H LYS 78 H LYS 78 -12.031 -7.934 -5.161 627 HA LYS 78 HA LYS 78 -13.916 -6.489 -6.689 628 HB2 LYS 78 HB2 LYS 78 -13.342 -6.364 -4.198 629 HB3 LYS 78 HB3 LYS 78 -11.986 -5.358 -4.674 630 HG2 LYS 78 HG2 LYS 78 -13.422 -3.648 -5.460 631 HG3 LYS 78 HG3 LYS 78 -14.838 -4.695 -5.326 632 HD2 LYS 78 HD2 LYS 78 -14.339 -4.867 -2.863 633 HD3 LYS 78 HD3 LYS 78 -13.145 -3.592 -3.096 634 HE2 LYS 78 HE2 LYS 78 -14.850 -2.054 -3.809 635 HE3 LYS 78 HE3 LYS 78 -16.069 -3.330 -3.777 636 HZ1 LYS 78 HZ1 LYS 78 -16.246 -1.995 -1.800 637 HZ2 LYS 78 HZ2 LYS 78 -15.678 -3.536 -1.369 638 HZ3 LYS 78 HZ3 LYS 78 -14.606 -2.225 -1.436 639 H TYR 79 H TYR 79 -10.411 -6.134 -6.268 640 HA TYR 79 HA TYR 79 -10.414 -4.044 -8.331 641 HB2 TYR 79 HB2 TYR 79 -8.319 -4.795 -6.281 642 HB3 TYR 79 HB3 TYR 79 -8.186 -3.468 -7.438 643 HD1 TYR 79 HD1 TYR 79 -9.825 -1.586 -7.326 644 HD2 TYR 79 HD2 TYR 79 -9.561 -4.532 -4.274 645 HE1 TYR 79 HE1 TYR 79 -11.077 -0.119 -5.812 646 HE2 TYR 79 HE2 TYR 79 -10.817 -3.071 -2.745 647 HH TYR 79 HH TYR 79 -11.341 -0.708 -2.461 648 H GLY 80 H GLY 80 -10.358 -7.162 -8.442 649 HA2 GLY 80 HA2 GLY 80 -9.589 -8.717 -9.933 650 HA3 GLY 80 HA3 GLY 80 -9.232 -7.351 -10.971 651 H VAL 81 H VAL 81 -7.881 -8.708 -7.976 652 HA VAL 81 HA VAL 81 -5.219 -7.988 -8.808 653 HB VAL 81 HB VAL 81 -6.104 -9.635 -6.434 654 HG11 VAL 81 HG11 VAL 81 -3.772 -10.032 -7.044 655 HG12 VAL 81 HG12 VAL 81 -3.465 -8.294 -7.015 656 HG13 VAL 81 HG13 VAL 81 -3.890 -9.140 -5.527 657 HG21 VAL 81 HG21 VAL 81 -5.394 -6.707 -6.605 658 HG22 VAL 81 HG22 VAL 81 -7.020 -7.360 -6.409 659 HG23 VAL 81 HG23 VAL 81 -5.818 -7.592 -5.139 660 H HIS 82 H HIS 82 -4.376 -9.124 -10.435 661 HA HIS 82 HA HIS 82 -4.578 -12.059 -10.321 662 HB2 HIS 82 HB2 HIS 82 -4.122 -10.200 -12.661 663 HB3 HIS 82 HB3 HIS 82 -3.882 -11.941 -12.763 664 HD1 HIS 82 HD1 HIS 82 -5.942 -13.399 -13.024 665 HD2 HIS 82 HD2 HIS 82 -6.844 -9.403 -12.280 666 HE1 HIS 82 HE1 HIS 82 -8.425 -13.175 -13.394 667 HE2 HIS 82 HE2 HIS 82 -8.929 -10.728 -13.037 668 H ALA 83 H ALA 83 -2.733 -10.182 -8.914 669 HA ALA 83 HA ALA 83 -0.245 -11.536 -9.694 670 HB1 ALA 83 HB1 ALA 83 -0.126 -9.190 -10.391 671 HB2 ALA 83 HB2 ALA 83 -0.483 -8.681 -8.739 672 HB3 ALA 83 HB3 ALA 83 1.019 -9.534 -9.095 673 H TYR 84 H TYR 84 1.372 -10.887 -7.633 674 HA TYR 84 HA TYR 84 -0.020 -12.071 -5.357 675 HB2 TYR 84 HB2 TYR 84 2.922 -11.586 -5.822 676 HB3 TYR 84 HB3 TYR 84 2.250 -12.330 -4.377 677 HD1 TYR 84 HD1 TYR 84 0.537 -14.340 -4.981 678 HD2 TYR 84 HD2 TYR 84 3.781 -13.037 -7.406 679 HE1 TYR 84 HE1 TYR 84 0.586 -16.536 -6.080 680 HE2 TYR 84 HE2 TYR 84 3.835 -15.231 -8.517 681 HH TYR 84 HH TYR 84 3.159 -17.533 -8.093 682 HA PRO 85 HA PRO 85 1.064 -7.921 -3.508 683 HB2 PRO 85 HB2 PRO 85 2.966 -6.311 -4.537 684 HB3 PRO 85 HB3 PRO 85 3.357 -7.703 -3.525 685 HG2 PRO 85 HG2 PRO 85 3.766 -7.323 -6.402 686 HG3 PRO 85 HG3 PRO 85 4.510 -8.502 -5.312 687 HD2 PRO 85 HD2 PRO 85 2.264 -8.856 -7.122 688 HD3 PRO 85 HD3 PRO 85 3.132 -10.079 -6.173 689 H THR 86 H THR 86 -0.192 -6.079 -3.657 690 HA THR 86 HA THR 86 -0.374 -4.657 -6.184 691 HB THR 86 HB THR 86 -2.817 -5.878 -4.877 692 HG1 THR 86 HG1 THR 86 -1.224 -6.849 -6.679 693 HG21 THR 86 HG21 THR 86 -2.641 -3.968 -7.215 694 HG22 THR 86 HG22 THR 86 -4.105 -4.776 -6.652 695 HG23 THR 86 HG23 THR 86 -3.298 -3.595 -5.621 696 H LEU 87 H LEU 87 -0.171 -2.593 -5.733 697 HA LEU 87 HA LEU 87 -0.716 -1.665 -3.019 698 HB2 LEU 87 HB2 LEU 87 0.570 -0.170 -5.301 699 HB3 LEU 87 HB3 LEU 87 0.577 0.281 -3.606 700 HG LEU 87 HG LEU 87 1.993 -2.084 -4.837 701 HD11 LEU 87 HD11 LEU 87 3.067 0.043 -5.298 702 HD12 LEU 87 HD12 LEU 87 3.045 0.443 -3.580 703 HD13 LEU 87 HD13 LEU 87 4.021 -0.907 -4.159 704 HD21 LEU 87 HD21 LEU 87 1.168 -2.653 -2.616 705 HD22 LEU 87 HD22 LEU 87 2.922 -2.474 -2.609 706 HD23 LEU 87 HD23 LEU 87 1.903 -1.191 -1.956 707 H LEU 88 H LEU 88 -2.584 -0.729 -2.571 708 HA LEU 88 HA LEU 88 -4.202 0.286 -4.805 709 HB2 LEU 88 HB2 LEU 88 -5.097 -1.576 -3.408 710 HB3 LEU 88 HB3 LEU 88 -5.087 -0.496 -2.031 711 HG LEU 88 HG LEU 88 -6.713 0.964 -3.190 712 HD11 LEU 88 HD11 LEU 88 -7.851 0.124 -5.186 713 HD12 LEU 88 HD12 LEU 88 -6.137 0.409 -5.488 714 HD13 LEU 88 HD13 LEU 88 -6.730 -1.234 -5.253 715 HD21 LEU 88 HD21 LEU 88 -7.539 -1.923 -2.917 716 HD22 LEU 88 HD22 LEU 88 -7.483 -0.729 -1.621 717 HD23 LEU 88 HD23 LEU 88 -8.631 -0.539 -2.947 718 H PHE 89 H PHE 89 -4.573 2.387 -4.991 719 HA PHE 89 HA PHE 89 -3.845 4.128 -2.736 720 HB2 PHE 89 HB2 PHE 89 -4.057 4.894 -5.655 721 HB3 PHE 89 HB3 PHE 89 -3.366 5.853 -4.349 722 HD1 PHE 89 HD1 PHE 89 -1.259 5.037 -3.238 723 HD2 PHE 89 HD2 PHE 89 -2.762 3.358 -6.845 724 HE1 PHE 89 HE1 PHE 89 0.951 4.068 -3.705 725 HE2 PHE 89 HE2 PHE 89 -0.552 2.388 -7.322 726 HZ PHE 89 HZ PHE 89 1.310 2.744 -5.751 727 H ILE 90 H ILE 90 -5.513 4.906 -1.651 728 HA ILE 90 HA ILE 90 -8.031 5.411 -3.109 729 HB ILE 90 HB ILE 90 -7.730 4.414 -0.269 730 HG12 ILE 90 HG12 ILE 90 -8.773 2.998 -2.728 731 HG13 ILE 90 HG13 ILE 90 -7.209 2.708 -1.973 732 HG21 ILE 90 HG21 ILE 90 -10.229 4.864 -1.888 733 HG22 ILE 90 HG22 ILE 90 -10.148 4.206 -0.254 734 HG23 ILE 90 HG23 ILE 90 -9.670 5.876 -0.556 735 HD11 ILE 90 HD11 ILE 90 -9.894 2.230 -0.705 736 HD12 ILE 90 HD12 ILE 90 -8.816 0.999 -1.364 737 HD13 ILE 90 HD13 ILE 90 -8.326 1.936 0.048 738 H ASN 91 H ASN 91 -9.098 7.311 -2.663 739 HA ASN 91 HA ASN 91 -7.630 9.250 -1.047 740 HB2 ASN 91 HB2 ASN 91 -9.309 10.898 -1.979 741 HB3 ASN 91 HB3 ASN 91 -8.237 10.157 -3.149 742 HD21 ASN 91 HD21 ASN 91 -10.933 8.401 -1.805 743 HD22 ASN 91 HD22 ASN 91 -11.896 8.425 -3.237 744 H SER 92 H SER 92 -9.062 10.816 0.238 745 HA SER 92 HA SER 92 -10.143 9.363 2.369 746 HB2 SER 92 HB2 SER 92 -10.650 12.282 1.793 747 HB3 SER 92 HB3 SER 92 -10.586 11.487 3.367 748 HG SER 92 HG SER 92 -8.419 11.339 3.226 749 H SER 93 H SER 93 -11.641 10.463 -0.548 750 HA SER 93 HA SER 93 -14.290 10.580 0.547 751 HB2 SER 93 HB2 SER 93 -14.974 10.838 -1.867 752 HB3 SER 93 HB3 SER 93 -13.844 12.053 -1.270 753 HG SER 93 HG SER 93 -12.642 11.483 -2.884 754 H GLY 94 H GLY 94 -12.339 8.017 -0.111 755 HA2 GLY 94 HA2 GLY 94 -13.134 5.849 0.462 756 HA3 GLY 94 HA3 GLY 94 -14.712 6.292 -0.163 757 H GLU 95 H GLU 95 -13.631 7.354 -2.685 758 HA GLU 95 HA GLU 95 -13.658 4.846 -4.068 759 HB2 GLU 95 HB2 GLU 95 -13.605 6.222 -6.122 760 HB3 GLU 95 HB3 GLU 95 -14.885 6.687 -5.013 761 HG2 GLU 95 HG2 GLU 95 -13.618 8.605 -4.288 762 HG3 GLU 95 HG3 GLU 95 -12.243 8.106 -5.273 763 H VAL 96 H VAL 96 -12.131 4.418 -5.890 764 HA VAL 96 HA VAL 96 -9.397 4.660 -4.856 765 HB VAL 96 HB VAL 96 -10.673 2.687 -6.754 766 HG11 VAL 96 HG11 VAL 96 -8.539 1.497 -6.798 767 HG12 VAL 96 HG12 VAL 96 -8.391 3.111 -7.501 768 HG13 VAL 96 HG13 VAL 96 -7.791 2.803 -5.870 769 HG21 VAL 96 HG21 VAL 96 -10.033 1.084 -4.953 770 HG22 VAL 96 HG22 VAL 96 -9.561 2.466 -3.967 771 HG23 VAL 96 HG23 VAL 96 -11.241 2.275 -4.471 772 H VAL 97 H VAL 97 -7.903 5.808 -5.907 773 HA VAL 97 HA VAL 97 -8.693 7.145 -8.362 774 HB VAL 97 HB VAL 97 -6.626 8.485 -8.073 775 HG11 VAL 97 HG11 VAL 97 -8.748 9.248 -7.145 776 HG12 VAL 97 HG12 VAL 97 -8.416 8.373 -5.649 777 HG13 VAL 97 HG13 VAL 97 -7.397 9.733 -6.119 778 HG21 VAL 97 HG21 VAL 97 -5.374 8.338 -5.970 779 HG22 VAL 97 HG22 VAL 97 -6.317 6.920 -5.510 780 HG23 VAL 97 HG23 VAL 97 -5.244 6.849 -6.907 781 H TYR 98 H TYR 98 -6.288 4.838 -7.237 782 HA TYR 98 HA TYR 98 -5.851 3.868 -9.892 783 HB2 TYR 98 HB2 TYR 98 -4.393 5.848 -9.972 784 HB3 TYR 98 HB3 TYR 98 -3.583 5.328 -8.499 785 HD1 TYR 98 HD1 TYR 98 -4.197 4.344 -12.033 786 HD2 TYR 98 HD2 TYR 98 -1.719 3.912 -8.603 787 HE1 TYR 98 HE1 TYR 98 -2.582 3.052 -13.366 788 HE2 TYR 98 HE2 TYR 98 -0.098 2.622 -9.926 789 HH TYR 98 HH TYR 98 -0.236 1.151 -12.065 790 H ARG 99 H ARG 99 -4.596 1.923 -9.904 791 HA ARG 99 HA ARG 99 -3.773 0.896 -7.283 792 HB2 ARG 99 HB2 ARG 99 -4.691 -1.333 -7.894 793 HB3 ARG 99 HB3 ARG 99 -5.940 -0.110 -7.690 794 HG2 ARG 99 HG2 ARG 99 -6.224 0.104 -10.042 795 HG3 ARG 99 HG3 ARG 99 -4.805 -0.896 -10.357 796 HD2 ARG 99 HD2 ARG 99 -7.317 -1.845 -8.986 797 HD3 ARG 99 HD3 ARG 99 -6.942 -2.097 -10.691 798 HE ARG 99 HE ARG 99 -5.601 -3.352 -8.407 799 HH11 ARG 99 HH11 ARG 99 -5.951 -2.991 -11.873 800 HH12 ARG 99 HH12 ARG 99 -5.178 -4.503 -12.231 801 HH21 ARG 99 HH21 ARG 99 -4.547 -5.330 -8.877 802 HH22 ARG 99 HH22 ARG 99 -4.372 -5.837 -10.530 803 H LEU 100 H LEU 100 -1.901 -0.234 -7.320 804 HA LEU 100 HA LEU 100 -0.572 -0.463 -9.934 805 HB2 LEU 100 HB2 LEU 100 0.534 1.007 -8.298 806 HB3 LEU 100 HB3 LEU 100 0.627 -0.331 -7.161 807 HG LEU 100 HG LEU 100 2.107 -1.536 -8.744 808 HD11 LEU 100 HD11 LEU 100 1.357 -0.543 -10.823 809 HD12 LEU 100 HD12 LEU 100 1.975 1.029 -10.318 810 HD13 LEU 100 HD13 LEU 100 3.092 -0.302 -10.618 811 HD21 LEU 100 HD21 LEU 100 3.054 -0.181 -6.943 812 HD22 LEU 100 HD22 LEU 100 4.081 -0.158 -8.375 813 HD23 LEU 100 HD23 LEU 100 3.056 1.228 -8.005 814 H VAL 101 H VAL 101 -0.757 -2.448 -10.722 815 HA VAL 101 HA VAL 101 -0.898 -4.726 -8.935 816 HB VAL 101 HB VAL 101 -2.411 -4.824 -10.774 817 HG11 VAL 101 HG11 VAL 101 -1.310 -3.305 -12.308 818 HG12 VAL 101 HG12 VAL 101 -0.043 -4.496 -12.606 819 HG13 VAL 101 HG13 VAL 101 -1.699 -4.825 -13.116 820 HG21 VAL 101 HG21 VAL 101 -1.780 -6.922 -11.863 821 HG22 VAL 101 HG22 VAL 101 -0.124 -6.717 -11.292 822 HG23 VAL 101 HG23 VAL 101 -1.433 -6.954 -10.134 823 H GLY 102 H GLY 102 0.965 -5.279 -8.053 824 HA2 GLY 102 HA2 GLY 102 2.989 -6.630 -8.530 825 HA3 GLY 102 HA3 GLY 102 3.346 -5.458 -9.792 826 H ALA 103 H ALA 103 5.415 -5.331 -8.579 827 HA ALA 103 HA ALA 103 5.363 -3.057 -6.825 828 HB1 ALA 103 HB1 ALA 103 6.341 -5.691 -5.716 829 HB2 ALA 103 HB2 ALA 103 6.462 -4.121 -4.921 830 HB3 ALA 103 HB3 ALA 103 4.879 -4.842 -5.215 831 H GLU 104 H GLU 104 6.948 -1.882 -7.665 832 HA GLU 104 HA GLU 104 9.253 -3.133 -8.892 833 HB2 GLU 104 HB2 GLU 104 8.201 -0.335 -8.728 834 HB3 GLU 104 HB3 GLU 104 9.894 -0.589 -9.117 835 HG2 GLU 104 HG2 GLU 104 8.567 -0.318 -11.125 836 HG3 GLU 104 HG3 GLU 104 9.278 -1.926 -11.045 837 H ASP 105 H ASP 105 11.445 -2.138 -8.371 838 HA ASP 105 HA ASP 105 12.016 -2.603 -5.623 839 HB2 ASP 105 HB2 ASP 105 13.521 -2.941 -7.724 840 HB3 ASP 105 HB3 ASP 105 13.929 -1.244 -7.501 841 H ALA 106 H ALA 106 13.647 -0.844 -4.579 842 HA ALA 106 HA ALA 106 11.908 0.926 -3.413 843 HB1 ALA 106 HB1 ALA 106 14.890 1.308 -3.532 844 HB2 ALA 106 HB2 ALA 106 13.780 1.932 -2.313 845 HB3 ALA 106 HB3 ALA 106 14.051 0.196 -2.451 846 HA PRO 107 HA PRO 107 13.621 4.688 -5.951 847 HB2 PRO 107 HB2 PRO 107 14.595 3.436 -8.438 848 HB3 PRO 107 HB3 PRO 107 15.326 4.712 -7.462 849 HG2 PRO 107 HG2 PRO 107 16.346 2.239 -7.509 850 HG3 PRO 107 HG3 PRO 107 16.345 3.211 -6.025 851 HD2 PRO 107 HD2 PRO 107 14.520 0.977 -6.832 852 HD3 PRO 107 HD3 PRO 107 15.254 1.316 -5.252 853 H GLU 108 H GLU 108 12.625 1.971 -8.035 854 HA GLU 108 HA GLU 108 11.057 3.575 -9.756 855 HB2 GLU 108 HB2 GLU 108 11.031 0.596 -9.274 856 HB3 GLU 108 HB3 GLU 108 10.200 1.410 -10.589 857 HG2 GLU 108 HG2 GLU 108 13.171 1.348 -10.136 858 HG3 GLU 108 HG3 GLU 108 12.277 0.441 -11.356 859 H LEU 109 H LEU 109 10.345 1.667 -6.880 860 HA LEU 109 HA LEU 109 7.542 1.699 -7.034 861 HB2 LEU 109 HB2 LEU 109 9.205 0.462 -5.418 862 HB3 LEU 109 HB3 LEU 109 8.973 1.872 -4.406 863 HG LEU 109 HG LEU 109 7.537 -0.088 -3.821 864 HD11 LEU 109 HD11 LEU 109 6.903 2.161 -3.125 865 HD12 LEU 109 HD12 LEU 109 6.053 2.402 -4.650 866 HD13 LEU 109 HD13 LEU 109 5.482 1.187 -3.505 867 HD21 LEU 109 HD21 LEU 109 7.087 -0.937 -6.029 868 HD22 LEU 109 HD22 LEU 109 5.568 -0.517 -5.240 869 HD23 LEU 109 HD23 LEU 109 6.250 0.553 -6.466 870 H LEU 110 H LEU 110 9.808 3.928 -5.466 871 HA LEU 110 HA LEU 110 7.890 5.689 -4.402 872 HB2 LEU 110 HB2 LEU 110 10.281 5.609 -3.744 873 HB3 LEU 110 HB3 LEU 110 10.707 6.316 -5.289 874 HG LEU 110 HG LEU 110 9.441 8.353 -4.694 875 HD11 LEU 110 HD11 LEU 110 9.093 6.974 -2.031 876 HD12 LEU 110 HD12 LEU 110 8.711 8.663 -2.367 877 HD13 LEU 110 HD13 LEU 110 7.816 7.379 -3.179 878 HD21 LEU 110 HD21 LEU 110 11.532 7.527 -2.681 879 HD22 LEU 110 HD22 LEU 110 11.838 8.228 -4.271 880 HD23 LEU 110 HD23 LEU 110 11.028 9.181 -3.027 881 H LYS 111 H LYS 111 9.364 5.447 -7.560 882 HA LYS 111 HA LYS 111 8.377 7.940 -8.540 883 HB2 LYS 111 HB2 LYS 111 10.331 6.831 -9.527 884 HB3 LYS 111 HB3 LYS 111 9.327 5.478 -10.021 885 HG2 LYS 111 HG2 LYS 111 8.179 6.799 -11.623 886 HG3 LYS 111 HG3 LYS 111 8.888 8.290 -10.995 887 HD2 LYS 111 HD2 LYS 111 11.107 7.520 -11.684 888 HD3 LYS 111 HD3 LYS 111 10.398 6.033 -12.310 889 HE2 LYS 111 HE2 LYS 111 9.543 8.747 -13.274 890 HE3 LYS 111 HE3 LYS 111 10.905 7.886 -13.987 891 HZ1 LYS 111 HZ1 LYS 111 8.832 7.526 -15.200 892 HZ2 LYS 111 HZ2 LYS 111 9.448 6.078 -14.569 893 HZ3 LYS 111 HZ3 LYS 111 8.129 6.836 -13.820 894 H LYS 112 H LYS 112 7.274 4.586 -8.684 895 HA LYS 112 HA LYS 112 5.086 5.014 -10.412 896 HB2 LYS 112 HB2 LYS 112 5.520 2.878 -8.319 897 HB3 LYS 112 HB3 LYS 112 4.235 2.850 -9.515 898 HG2 LYS 112 HG2 LYS 112 7.178 2.843 -10.137 899 HG3 LYS 112 HG3 LYS 112 6.136 1.421 -10.119 900 HD2 LYS 112 HD2 LYS 112 5.808 3.819 -11.927 901 HD3 LYS 112 HD3 LYS 112 6.502 2.265 -12.396 902 HE2 LYS 112 HE2 LYS 112 4.315 1.217 -11.703 903 HE3 LYS 112 HE3 LYS 112 3.669 2.852 -11.566 904 HZ1 LYS 112 HZ1 LYS 112 4.418 3.147 -13.949 905 HZ2 LYS 112 HZ2 LYS 112 4.622 1.461 -13.999 906 HZ3 LYS 112 HZ3 LYS 112 3.093 2.124 -13.699 907 H VAL 113 H VAL 113 5.320 4.995 -6.858 908 HA VAL 113 HA VAL 113 2.532 5.319 -6.451 909 HB VAL 113 HB VAL 113 3.909 4.459 -4.648 910 HG11 VAL 113 HG11 VAL 113 5.959 5.690 -5.050 911 HG12 VAL 113 HG12 VAL 113 5.174 7.190 -4.554 912 HG13 VAL 113 HG13 VAL 113 5.429 5.897 -3.379 913 HG21 VAL 113 HG21 VAL 113 2.704 7.122 -3.906 914 HG22 VAL 113 HG22 VAL 113 1.831 5.599 -4.055 915 HG23 VAL 113 HG23 VAL 113 3.051 5.795 -2.797 916 H LYS 114 H LYS 114 5.196 7.653 -6.696 917 HA LYS 114 HA LYS 114 3.630 9.905 -6.006 918 HB2 LYS 114 HB2 LYS 114 6.094 9.903 -5.924 919 HB3 LYS 114 HB3 LYS 114 6.146 9.806 -7.680 920 HG2 LYS 114 HG2 LYS 114 6.540 12.084 -6.885 921 HG3 LYS 114 HG3 LYS 114 5.074 11.977 -7.849 922 HD2 LYS 114 HD2 LYS 114 4.597 13.354 -5.974 923 HD3 LYS 114 HD3 LYS 114 3.768 11.815 -5.740 924 HE2 LYS 114 HE2 LYS 114 4.716 12.328 -3.675 925 HE3 LYS 114 HE3 LYS 114 5.777 11.112 -4.368 926 HZ1 LYS 114 HZ1 LYS 114 7.307 12.859 -5.022 927 HZ2 LYS 114 HZ2 LYS 114 6.269 14.044 -4.392 928 HZ3 LYS 114 HZ3 LYS 114 7.014 12.933 -3.356 929 H LEU 115 H LEU 115 4.626 8.628 -9.180 930 HA LEU 115 HA LEU 115 3.127 10.630 -10.583 931 HB2 LEU 115 HB2 LEU 115 4.548 8.140 -11.506 932 HB3 LEU 115 HB3 LEU 115 3.728 9.242 -12.596 933 HG LEU 115 HG LEU 115 6.046 9.980 -10.804 934 HD11 LEU 115 HD11 LEU 115 6.746 8.496 -12.591 935 HD12 LEU 115 HD12 LEU 115 5.932 9.514 -13.779 936 HD13 LEU 115 HD13 LEU 115 7.321 10.137 -12.888 937 HD21 LEU 115 HD21 LEU 115 4.543 11.848 -11.201 938 HD22 LEU 115 HD22 LEU 115 6.055 12.069 -12.081 939 HD23 LEU 115 HD23 LEU 115 4.603 11.549 -12.939 940 H GLY 116 H GLY 116 2.338 7.640 -9.176 941 HA2 GLY 116 HA2 GLY 116 0.079 7.034 -10.826 942 HA3 GLY 116 HA3 GLY 116 0.393 6.397 -9.216 943 H VAL 117 H VAL 117 0.596 8.888 -7.885 944 HA VAL 117 HA VAL 117 -2.205 9.579 -7.650 945 HB VAL 117 HB VAL 117 0.181 10.675 -6.140 946 HG11 VAL 117 HG11 VAL 117 -2.771 10.862 -5.540 947 HG12 VAL 117 HG12 VAL 117 -1.468 11.429 -4.493 948 HG13 VAL 117 HG13 VAL 117 -1.729 12.185 -6.064 949 HG21 VAL 117 HG21 VAL 117 -0.535 9.171 -4.333 950 HG22 VAL 117 HG22 VAL 117 -1.769 8.497 -5.398 951 HG23 VAL 117 HG23 VAL 117 -0.060 8.286 -5.783 952 H GLU 118 H GLU 118 0.807 11.055 -8.725 953 HA GLU 118 HA GLU 118 -0.507 13.524 -9.483 954 HB2 GLU 118 HB2 GLU 118 1.885 13.402 -8.679 955 HB3 GLU 118 HB3 GLU 118 2.284 12.582 -10.181 956 HG2 GLU 118 HG2 GLU 118 1.598 14.543 -11.449 957 HG3 GLU 118 HG3 GLU 118 1.153 15.365 -9.953 958 H SER 119 H SER 119 -2.104 12.341 -10.765 959 HA SER 119 HA SER 119 -1.288 10.847 -13.055 960 HB2 SER 119 HB2 SER 119 -3.826 10.978 -13.524 961 HB3 SER 119 HB3 SER 119 -3.288 10.115 -12.083 962 HG SER 119 HG SER 119 -4.943 11.456 -11.465 963 H GLU 120 H GLU 120 -1.630 11.321 -15.221 964 HA GLU 120 HA GLU 120 -1.354 14.141 -15.886 965 HB2 GLU 120 HB2 GLU 120 -0.911 13.273 -18.183 966 HB3 GLU 120 HB3 GLU 120 0.175 12.613 -16.969 967 HG2 GLU 120 HG2 GLU 120 -1.139 10.569 -16.889 968 HG3 GLU 120 HG3 GLU 120 -2.252 11.231 -18.083 969 H GLY 121 H GLY 121 -3.712 11.605 -16.046 970 HA2 GLY 121 HA2 GLY 121 -5.510 13.389 -17.560 971 HA3 GLY 121 HA3 GLY 121 -5.519 11.641 -17.745 Start of MODEL 6 1 H ALA 1 H ALA 1 9.712 -0.706 17.400 2 HA ALA 1 HA ALA 1 10.205 -2.201 14.889 3 HB1 ALA 1 HB1 ALA 1 9.670 0.740 15.268 4 HB2 ALA 1 HB2 ALA 1 9.921 -0.108 13.741 5 HB3 ALA 1 HB3 ALA 1 8.479 -0.433 14.705 6 H GLN 2 H GLN 2 12.239 -2.144 14.142 7 HA GLN 2 HA GLN 2 14.259 -1.041 15.925 8 HB2 GLN 2 HB2 GLN 2 14.752 -2.686 13.441 9 HB3 GLN 2 HB3 GLN 2 15.847 -2.422 14.786 10 HG2 GLN 2 HG2 GLN 2 15.123 -4.594 15.104 11 HG3 GLN 2 HG3 GLN 2 14.086 -3.671 16.189 12 HE21 GLN 2 HE21 GLN 2 14.248 -5.380 13.139 13 HE22 GLN 2 HE22 GLN 2 12.537 -5.613 12.959 14 H ALA 3 H ALA 3 15.103 -1.434 12.638 15 HA ALA 3 HA ALA 3 14.567 1.322 11.880 16 HB1 ALA 3 HB1 ALA 3 16.764 1.485 12.923 17 HB2 ALA 3 HB2 ALA 3 17.363 0.169 11.915 18 HB3 ALA 3 HB3 ALA 3 16.903 1.704 11.179 19 H ASP 4 H ASP 4 13.816 -1.468 11.247 20 HA ASP 4 HA ASP 4 15.087 -2.290 8.830 21 HB2 ASP 4 HB2 ASP 4 13.938 -3.771 10.558 22 HB3 ASP 4 HB3 ASP 4 12.411 -3.208 9.890 23 H GLY 5 H GLY 5 12.254 -0.453 9.666 24 HA2 GLY 5 HA2 GLY 5 12.025 1.110 7.503 25 HA3 GLY 5 HA3 GLY 5 11.278 -0.380 6.946 26 H ILE 6 H ILE 6 9.374 0.955 6.697 27 HA ILE 6 HA ILE 6 8.028 2.122 8.895 28 HB ILE 6 HB ILE 6 6.970 1.195 6.224 29 HG12 ILE 6 HG12 ILE 6 7.617 3.959 7.263 30 HG13 ILE 6 HG13 ILE 6 8.625 3.029 6.159 31 HG21 ILE 6 HG21 ILE 6 5.603 2.882 8.318 32 HG22 ILE 6 HG22 ILE 6 4.991 2.558 6.696 33 HG23 ILE 6 HG23 ILE 6 5.162 1.239 7.854 34 HD11 ILE 6 HD11 ILE 6 6.842 3.076 4.494 35 HD12 ILE 6 HD12 ILE 6 5.837 4.009 5.602 36 HD13 ILE 6 HD13 ILE 6 7.332 4.702 4.974 37 H ALA 7 H ALA 7 6.721 1.274 10.399 38 HA ALA 7 HA ALA 7 6.024 -1.551 10.273 39 HB1 ALA 7 HB1 ALA 7 5.239 -1.261 12.568 40 HB2 ALA 7 HB2 ALA 7 6.885 -0.654 12.388 41 HB3 ALA 7 HB3 ALA 7 5.531 0.475 12.460 42 H PHE 8 H PHE 8 4.195 -2.125 9.300 43 HA PHE 8 HA PHE 8 2.203 -0.235 8.532 44 HB2 PHE 8 HB2 PHE 8 2.355 -3.243 8.365 45 HB3 PHE 8 HB3 PHE 8 0.980 -2.326 7.778 46 HD1 PHE 8 HD1 PHE 8 1.236 -0.789 5.873 47 HD2 PHE 8 HD2 PHE 8 4.372 -3.372 7.135 48 HE1 PHE 8 HE1 PHE 8 2.345 -0.502 3.697 49 HE2 PHE 8 HE2 PHE 8 5.488 -3.082 4.964 50 HZ PHE 8 HZ PHE 8 4.473 -1.649 3.240 51 H ARG 9 H ARG 9 -0.051 -0.345 9.061 52 HA ARG 9 HA ARG 9 -0.590 -1.572 11.688 53 HB2 ARG 9 HB2 ARG 9 -2.063 0.809 10.554 54 HB3 ARG 9 HB3 ARG 9 -2.128 0.185 12.196 55 HG2 ARG 9 HG2 ARG 9 0.340 0.776 12.347 56 HG3 ARG 9 HG3 ARG 9 0.093 1.686 10.856 57 HD2 ARG 9 HD2 ARG 9 -1.239 2.124 13.519 58 HD3 ARG 9 HD3 ARG 9 -0.116 3.198 12.690 59 HE ARG 9 HE ARG 9 -2.832 2.603 11.694 60 HH11 ARG 9 HH11 ARG 9 -0.177 4.819 12.221 61 HH12 ARG 9 HH12 ARG 9 -1.053 6.207 11.655 62 HH21 ARG 9 HH21 ARG 9 -4.002 4.424 10.996 63 HH22 ARG 9 HH22 ARG 9 -3.247 5.992 10.987 64 H GLU 10 H GLU 10 -1.813 -3.321 11.447 65 HA GLU 10 HA GLU 10 -3.486 -3.652 9.122 66 HB2 GLU 10 HB2 GLU 10 -4.064 -5.857 10.202 67 HB3 GLU 10 HB3 GLU 10 -2.366 -5.621 9.820 68 HG2 GLU 10 HG2 GLU 10 -1.894 -5.110 12.144 69 HG3 GLU 10 HG3 GLU 10 -3.603 -5.278 12.542 70 H LEU 11 H LEU 11 -5.391 -2.755 8.996 71 HA LEU 11 HA LEU 11 -7.198 -2.768 11.280 72 HB2 LEU 11 HB2 LEU 11 -5.779 -0.616 11.198 73 HB3 LEU 11 HB3 LEU 11 -6.683 -0.220 9.757 74 HG LEU 11 HG LEU 11 -8.759 -0.190 11.041 75 HD11 LEU 11 HD11 LEU 11 -6.991 -0.813 13.404 76 HD12 LEU 11 HD12 LEU 11 -8.699 -0.379 13.483 77 HD13 LEU 11 HD13 LEU 11 -8.207 -1.882 12.704 78 HD21 LEU 11 HD21 LEU 11 -8.279 1.781 12.404 79 HD22 LEU 11 HD22 LEU 11 -6.553 1.438 12.294 80 HD23 LEU 11 HD23 LEU 11 -7.462 1.862 10.843 81 H SER 12 H SER 12 -9.434 -2.064 10.558 82 HA SER 12 HA SER 12 -9.992 -3.191 7.957 83 HB2 SER 12 HB2 SER 12 -11.890 -1.962 9.970 84 HB3 SER 12 HB3 SER 12 -12.336 -2.960 8.588 85 HG SER 12 HG SER 12 -10.635 -4.434 9.830 86 H PHE 13 H PHE 13 -11.341 -2.028 6.357 87 HA PHE 13 HA PHE 13 -9.969 0.261 5.568 88 HB2 PHE 13 HB2 PHE 13 -11.167 -1.271 4.034 89 HB3 PHE 13 HB3 PHE 13 -12.690 -0.603 4.585 90 HD1 PHE 13 HD1 PHE 13 -9.494 0.332 2.963 91 HD2 PHE 13 HD2 PHE 13 -13.594 1.289 3.580 92 HE1 PHE 13 HE1 PHE 13 -9.338 2.096 1.259 93 HE2 PHE 13 HE2 PHE 13 -13.441 3.054 1.876 94 HZ PHE 13 HZ PHE 13 -11.310 3.459 0.716 95 HA PRO 14 HA PRO 14 -13.971 2.927 6.816 96 HB2 PRO 14 HB2 PRO 14 -14.731 1.226 9.143 97 HB3 PRO 14 HB3 PRO 14 -15.752 2.201 8.080 98 HG2 PRO 14 HG2 PRO 14 -15.643 -0.453 7.843 99 HG3 PRO 14 HG3 PRO 14 -15.789 0.598 6.422 100 HD2 PRO 14 HD2 PRO 14 -13.438 -0.929 7.414 101 HD3 PRO 14 HD3 PRO 14 -13.892 -0.485 5.763 102 H GLU 15 H GLU 15 -12.293 1.048 9.339 103 HA GLU 15 HA GLU 15 -12.025 3.188 11.146 104 HB2 GLU 15 HB2 GLU 15 -10.534 0.600 10.826 105 HB3 GLU 15 HB3 GLU 15 -10.135 1.755 12.087 106 HG2 GLU 15 HG2 GLU 15 -12.524 1.606 12.833 107 HG3 GLU 15 HG3 GLU 15 -12.718 0.275 11.693 108 H ALA 16 H ALA 16 -9.631 1.767 8.920 109 HA ALA 16 HA ALA 16 -7.583 3.586 9.482 110 HB1 ALA 16 HB1 ALA 16 -6.547 2.802 7.410 111 HB2 ALA 16 HB2 ALA 16 -7.203 1.458 8.347 112 HB3 ALA 16 HB3 ALA 16 -8.069 2.051 6.931 113 H LEU 17 H LEU 17 -10.286 3.759 7.264 114 HA LEU 17 HA LEU 17 -9.468 5.924 5.681 115 HB2 LEU 17 HB2 LEU 17 -11.442 4.368 5.345 116 HB3 LEU 17 HB3 LEU 17 -12.296 5.336 6.525 117 HG LEU 17 HG LEU 17 -12.035 7.314 5.064 118 HD11 LEU 17 HD11 LEU 17 -10.865 5.311 3.136 119 HD12 LEU 17 HD12 LEU 17 -11.324 6.965 2.736 120 HD13 LEU 17 HD13 LEU 17 -10.017 6.666 3.883 121 HD21 LEU 17 HD21 LEU 17 -13.326 4.918 3.764 122 HD22 LEU 17 HD22 LEU 17 -14.063 5.959 4.982 123 HD23 LEU 17 HD23 LEU 17 -13.669 6.606 3.389 124 H LYS 18 H LYS 18 -11.493 5.858 8.588 125 HA LYS 18 HA LYS 18 -11.868 8.589 8.955 126 HB2 LYS 18 HB2 LYS 18 -13.088 6.952 10.256 127 HB3 LYS 18 HB3 LYS 18 -11.602 6.362 10.983 128 HG2 LYS 18 HG2 LYS 18 -11.320 8.556 12.094 129 HG3 LYS 18 HG3 LYS 18 -12.876 9.055 11.426 130 HD2 LYS 18 HD2 LYS 18 -14.040 7.405 12.669 131 HD3 LYS 18 HD3 LYS 18 -12.541 6.595 13.127 132 HE2 LYS 18 HE2 LYS 18 -13.317 7.824 15.020 133 HE3 LYS 18 HE3 LYS 18 -11.898 8.652 14.383 134 HZ1 LYS 18 HZ1 LYS 18 -13.606 10.229 14.941 135 HZ2 LYS 18 HZ2 LYS 18 -13.397 10.220 13.258 136 HZ3 LYS 18 HZ3 LYS 18 -14.731 9.438 13.956 137 H ARG 19 H ARG 19 -9.211 6.513 10.026 138 HA ARG 19 HA ARG 19 -7.788 8.447 11.489 139 HB2 ARG 19 HB2 ARG 19 -6.908 5.933 10.068 140 HB3 ARG 19 HB3 ARG 19 -5.826 6.907 11.052 141 HG2 ARG 19 HG2 ARG 19 -8.363 5.622 12.040 142 HG3 ARG 19 HG3 ARG 19 -6.737 4.968 12.257 143 HD2 ARG 19 HD2 ARG 19 -6.081 6.879 13.556 144 HD3 ARG 19 HD3 ARG 19 -7.615 7.682 13.229 145 HE ARG 19 HE ARG 19 -8.030 5.173 14.504 146 HH11 ARG 19 HH11 ARG 19 -6.958 8.454 15.114 147 HH12 ARG 19 HH12 ARG 19 -7.486 8.456 16.775 148 HH21 ARG 19 HH21 ARG 19 -8.740 5.173 16.678 149 HH22 ARG 19 HH22 ARG 19 -8.507 6.583 17.661 150 H ALA 20 H ALA 20 -7.637 7.467 8.095 151 HA ALA 20 HA ALA 20 -5.440 9.034 7.329 152 HB1 ALA 20 HB1 ALA 20 -6.240 8.732 5.045 153 HB2 ALA 20 HB2 ALA 20 -6.328 7.222 5.955 154 HB3 ALA 20 HB3 ALA 20 -7.792 8.160 5.658 155 H GLU 21 H GLU 21 -8.935 9.737 7.120 156 HA GLU 21 HA GLU 21 -8.651 12.200 5.819 157 HB2 GLU 21 HB2 GLU 21 -10.869 11.185 7.589 158 HB3 GLU 21 HB3 GLU 21 -10.959 12.685 6.675 159 HG2 GLU 21 HG2 GLU 21 -10.439 11.225 4.626 160 HG3 GLU 21 HG3 GLU 21 -10.886 9.871 5.665 161 H VAL 22 H VAL 22 -8.595 11.427 9.256 162 HA VAL 22 HA VAL 22 -8.767 14.241 9.956 163 HB VAL 22 HB VAL 22 -8.509 11.819 11.739 164 HG11 VAL 22 HG11 VAL 22 -9.143 14.686 12.443 165 HG12 VAL 22 HG12 VAL 22 -9.180 13.319 13.557 166 HG13 VAL 22 HG13 VAL 22 -7.653 13.825 12.833 167 HG21 VAL 22 HG21 VAL 22 -10.593 11.840 10.487 168 HG22 VAL 22 HG22 VAL 22 -10.893 12.185 12.189 169 HG23 VAL 22 HG23 VAL 22 -10.908 13.495 11.008 170 H GLU 23 H GLU 23 -6.369 11.617 10.337 171 HA GLU 23 HA GLU 23 -4.612 13.555 11.651 172 HB2 GLU 23 HB2 GLU 23 -4.608 10.545 11.594 173 HB3 GLU 23 HB3 GLU 23 -3.359 11.508 12.375 174 HG2 GLU 23 HG2 GLU 23 -4.850 12.343 13.978 175 HG3 GLU 23 HG3 GLU 23 -6.261 11.816 13.063 176 H ASP 24 H ASP 24 -4.834 11.706 8.733 177 HA ASP 24 HA ASP 24 -2.111 12.573 8.029 178 HB2 ASP 24 HB2 ASP 24 -3.354 9.873 7.446 179 HB3 ASP 24 HB3 ASP 24 -1.831 10.438 6.767 180 H LYS 25 H LYS 25 -2.603 11.130 5.383 181 HA LYS 25 HA LYS 25 -4.505 13.073 4.270 182 HB2 LYS 25 HB2 LYS 25 -1.758 12.361 3.302 183 HB3 LYS 25 HB3 LYS 25 -2.972 13.004 2.195 184 HG2 LYS 25 HG2 LYS 25 -3.146 15.024 3.489 185 HG3 LYS 25 HG3 LYS 25 -2.063 14.370 4.720 186 HD2 LYS 25 HD2 LYS 25 -0.215 14.402 3.231 187 HD3 LYS 25 HD3 LYS 25 -1.254 14.746 1.846 188 HE2 LYS 25 HE2 LYS 25 -0.042 16.742 2.599 189 HE3 LYS 25 HE3 LYS 25 -1.784 16.935 2.756 190 HZ1 LYS 25 HZ1 LYS 25 0.089 16.259 4.966 191 HZ2 LYS 25 HZ2 LYS 25 -0.619 17.775 4.698 192 HZ3 LYS 25 HZ3 LYS 25 -1.587 16.451 5.122 193 H LEU 26 H LEU 26 -2.643 10.595 2.575 194 HA LEU 26 HA LEU 26 -5.207 9.486 1.675 195 HB2 LEU 26 HB2 LEU 26 -2.469 9.414 0.421 196 HB3 LEU 26 HB3 LEU 26 -3.786 8.406 -0.138 197 HG LEU 26 HG LEU 26 -5.089 10.580 -0.494 198 HD11 LEU 26 HD11 LEU 26 -3.729 12.578 -0.876 199 HD12 LEU 26 HD12 LEU 26 -3.675 12.058 0.809 200 HD13 LEU 26 HD13 LEU 26 -2.313 11.724 -0.261 201 HD21 LEU 26 HD21 LEU 26 -4.251 9.253 -2.328 202 HD22 LEU 26 HD22 LEU 26 -4.009 10.966 -2.674 203 HD23 LEU 26 HD23 LEU 26 -2.651 9.970 -2.153 204 H LEU 27 H LEU 27 -5.222 7.123 1.204 205 HA LEU 27 HA LEU 27 -4.062 5.754 3.525 206 HB2 LEU 27 HB2 LEU 27 -6.641 5.876 2.682 207 HB3 LEU 27 HB3 LEU 27 -6.118 4.407 1.882 208 HG LEU 27 HG LEU 27 -5.965 4.914 4.855 209 HD11 LEU 27 HD11 LEU 27 -8.262 4.711 4.121 210 HD12 LEU 27 HD12 LEU 27 -7.873 3.242 3.227 211 HD13 LEU 27 HD13 LEU 27 -7.775 3.254 4.988 212 HD21 LEU 27 HD21 LEU 27 -4.223 3.395 4.047 213 HD22 LEU 27 HD22 LEU 27 -5.422 2.549 5.024 214 HD23 LEU 27 HD23 LEU 27 -5.453 2.401 3.268 215 H PHE 28 H PHE 28 -2.334 4.543 3.164 216 HA PHE 28 HA PHE 28 -1.793 3.519 0.481 217 HB2 PHE 28 HB2 PHE 28 0.039 4.658 1.689 218 HB3 PHE 28 HB3 PHE 28 -0.086 3.481 2.990 219 HD1 PHE 28 HD1 PHE 28 0.677 1.181 2.662 220 HD2 PHE 28 HD2 PHE 28 1.122 4.124 -0.380 221 HE1 PHE 28 HE1 PHE 28 2.294 -0.266 1.510 222 HE2 PHE 28 HE2 PHE 28 2.741 2.679 -1.541 223 HZ PHE 28 HZ PHE 28 3.328 0.480 -0.598 224 H VAL 29 H VAL 29 -2.774 1.638 0.046 225 HA VAL 29 HA VAL 29 -3.213 -0.238 2.257 226 HB VAL 29 HB VAL 29 -4.496 -0.240 -0.477 227 HG11 VAL 29 HG11 VAL 29 -6.119 -1.763 0.563 228 HG12 VAL 29 HG12 VAL 29 -4.486 -2.430 0.565 229 HG13 VAL 29 HG13 VAL 29 -5.164 -1.752 2.046 230 HG21 VAL 29 HG21 VAL 29 -6.473 0.680 0.620 231 HG22 VAL 29 HG22 VAL 29 -5.594 0.768 2.147 232 HG23 VAL 29 HG23 VAL 29 -5.095 1.770 0.784 233 H ASP 30 H ASP 30 -1.715 -1.734 2.444 234 HA ASP 30 HA ASP 30 -0.381 -2.852 0.109 235 HB2 ASP 30 HB2 ASP 30 1.081 -2.449 1.948 236 HB3 ASP 30 HB3 ASP 30 -0.016 -3.219 3.087 237 H CYS 31 H CYS 31 -1.316 -4.474 -0.946 238 HA CYS 31 HA CYS 31 -2.971 -6.363 0.591 239 HB2 CYS 31 HB2 CYS 31 -3.265 -5.520 -2.300 240 HB3 CYS 31 HB3 CYS 31 -4.231 -6.756 -1.503 241 HG CYS 31 HG CYS 31 -4.770 -4.462 0.490 242 H PHE 32 H PHE 32 -1.943 -8.200 0.848 243 HA PHE 32 HA PHE 32 -0.525 -9.343 -1.455 244 HB2 PHE 32 HB2 PHE 32 1.289 -10.107 -0.064 245 HB3 PHE 32 HB3 PHE 32 1.103 -8.376 0.196 246 HD1 PHE 32 HD1 PHE 32 -0.159 -7.606 2.263 247 HD2 PHE 32 HD2 PHE 32 1.197 -11.600 1.712 248 HE1 PHE 32 HE1 PHE 32 -0.342 -8.000 4.684 249 HE2 PHE 32 HE2 PHE 32 1.018 -12.002 4.129 250 HZ PHE 32 HZ PHE 32 0.246 -10.198 5.618 251 H THR 33 H THR 33 -0.507 -11.637 -1.504 252 HA THR 33 HA THR 33 -2.486 -12.870 0.288 253 HB THR 33 HB THR 33 -2.975 -13.072 -2.116 254 HG1 THR 33 HG1 THR 33 -3.555 -14.789 -0.614 255 HG21 THR 33 HG21 THR 33 -1.566 -14.491 -3.544 256 HG22 THR 33 HG22 THR 33 -0.703 -13.055 -2.995 257 HG23 THR 33 HG23 THR 33 -0.384 -14.618 -2.242 258 H THR 34 H THR 34 -1.940 -15.347 0.594 259 HA THR 34 HA THR 34 0.347 -15.341 2.291 260 HB THR 34 HB THR 34 -1.176 -17.824 1.563 261 HG1 THR 34 HG1 THR 34 -2.077 -15.578 3.067 262 HG21 THR 34 HG21 THR 34 -0.879 -18.320 3.944 263 HG22 THR 34 HG22 THR 34 0.673 -18.010 3.167 264 HG23 THR 34 HG23 THR 34 -0.073 -16.770 4.174 265 H TRP 35 H TRP 35 0.185 -15.804 -0.986 266 HA TRP 35 HA TRP 35 2.023 -18.013 -1.210 267 HB2 TRP 35 HB2 TRP 35 1.076 -16.030 -3.288 268 HB3 TRP 35 HB3 TRP 35 2.022 -17.475 -3.620 269 HD1 TRP 35 HD1 TRP 35 -1.512 -16.380 -2.609 270 HE1 TRP 35 HE1 TRP 35 -3.132 -18.321 -3.088 271 HE3 TRP 35 HE3 TRP 35 1.898 -19.980 -3.867 272 HZ2 TRP 35 HZ2 TRP 35 -2.974 -21.022 -3.895 273 HZ3 TRP 35 HZ3 TRP 35 1.080 -22.216 -4.482 274 HH2 TRP 35 HH2 TRP 35 -1.310 -22.725 -4.495 275 H CYS 36 H CYS 36 3.991 -17.648 -0.397 276 HA CYS 36 HA CYS 36 6.087 -16.841 -0.142 277 HB2 CYS 36 HB2 CYS 36 5.483 -15.421 -2.744 278 HB3 CYS 36 HB3 CYS 36 7.081 -15.553 -2.016 279 HG CYS 36 HG CYS 36 6.169 -18.584 -2.112 280 H GLY 37 H GLY 37 7.363 -14.513 -0.323 281 HA2 GLY 37 HA2 GLY 37 5.529 -12.478 0.766 282 HA3 GLY 37 HA3 GLY 37 6.967 -12.930 1.665 283 HA PRO 38 HA PRO 38 8.615 -10.699 -2.359 284 HB2 PRO 38 HB2 PRO 38 6.088 -9.491 -3.344 285 HB3 PRO 38 HB3 PRO 38 7.424 -10.205 -4.252 286 HG2 PRO 38 HG2 PRO 38 5.112 -11.498 -4.002 287 HG3 PRO 38 HG3 PRO 38 6.656 -12.372 -3.938 288 HD2 PRO 38 HD2 PRO 38 4.846 -11.552 -1.693 289 HD3 PRO 38 HD3 PRO 38 5.734 -13.073 -1.926 290 H CYS 39 H CYS 39 5.726 -9.281 -0.810 291 HA CYS 39 HA CYS 39 6.696 -6.641 -0.732 292 HB2 CYS 39 HB2 CYS 39 4.310 -7.308 -0.393 293 HB3 CYS 39 HB3 CYS 39 4.748 -7.933 1.192 294 HG CYS 39 HG CYS 39 3.436 -5.219 0.915 295 H LYS 40 H LYS 40 7.206 -9.399 1.360 296 HA LYS 40 HA LYS 40 8.352 -7.986 3.546 297 HB2 LYS 40 HB2 LYS 40 8.745 -10.865 2.703 298 HB3 LYS 40 HB3 LYS 40 9.200 -10.187 4.260 299 HG2 LYS 40 HG2 LYS 40 6.843 -9.703 4.723 300 HG3 LYS 40 HG3 LYS 40 6.404 -10.421 3.173 301 HD2 LYS 40 HD2 LYS 40 6.061 -12.040 4.939 302 HD3 LYS 40 HD3 LYS 40 7.403 -12.558 3.919 303 HE2 LYS 40 HE2 LYS 40 7.978 -12.910 6.233 304 HE3 LYS 40 HE3 LYS 40 8.980 -11.621 5.569 305 HZ1 LYS 40 HZ1 LYS 40 6.517 -11.155 7.163 306 HZ2 LYS 40 HZ2 LYS 40 8.084 -11.161 7.815 307 HZ3 LYS 40 HZ3 LYS 40 7.647 -9.990 6.666 308 H ARG 41 H ARG 41 9.567 -9.208 0.526 309 HA ARG 41 HA ARG 41 12.334 -8.867 1.187 310 HB2 ARG 41 HB2 ARG 41 11.477 -10.416 -0.584 311 HB3 ARG 41 HB3 ARG 41 11.058 -9.015 -1.551 312 HG2 ARG 41 HG2 ARG 41 13.325 -8.392 -1.798 313 HG3 ARG 41 HG3 ARG 41 13.839 -9.596 -0.609 314 HD2 ARG 41 HD2 ARG 41 12.497 -10.205 -3.239 315 HD3 ARG 41 HD3 ARG 41 14.221 -10.327 -2.922 316 HE ARG 41 HE ARG 41 12.978 -11.863 -0.987 317 HH11 ARG 41 HH11 ARG 41 13.195 -11.874 -4.498 318 HH12 ARG 41 HH12 ARG 41 12.993 -13.601 -4.620 319 HH21 ARG 41 HH21 ARG 41 12.706 -14.124 -1.170 320 HH22 ARG 41 HH22 ARG 41 12.710 -14.863 -2.741 321 H LEU 42 H LEU 42 9.798 -6.916 -0.197 322 HA LEU 42 HA LEU 42 11.337 -4.739 -1.096 323 HB2 LEU 42 HB2 LEU 42 8.537 -4.777 0.038 324 HB3 LEU 42 HB3 LEU 42 9.254 -3.427 -0.820 325 HG LEU 42 HG LEU 42 8.745 -6.151 -2.016 326 HD11 LEU 42 HD11 LEU 42 7.250 -3.552 -2.334 327 HD12 LEU 42 HD12 LEU 42 6.951 -5.029 -3.249 328 HD13 LEU 42 HD13 LEU 42 6.663 -4.998 -1.510 329 HD21 LEU 42 HD21 LEU 42 9.610 -3.551 -3.277 330 HD22 LEU 42 HD22 LEU 42 10.635 -4.963 -3.024 331 HD23 LEU 42 HD23 LEU 42 9.265 -5.055 -4.132 332 H SER 43 H SER 43 10.179 -5.682 2.066 333 HA SER 43 HA SER 43 10.556 -3.258 3.429 334 HB2 SER 43 HB2 SER 43 10.897 -6.036 4.577 335 HB3 SER 43 HB3 SER 43 10.464 -4.568 5.452 336 HG SER 43 HG SER 43 8.744 -4.953 3.423 337 H LYS 44 H LYS 44 12.788 -5.801 2.523 338 HA LYS 44 HA LYS 44 14.914 -4.994 4.217 339 HB2 LYS 44 HB2 LYS 44 14.798 -7.239 3.217 340 HB3 LYS 44 HB3 LYS 44 15.017 -6.540 1.618 341 HG2 LYS 44 HG2 LYS 44 17.224 -5.695 2.327 342 HG3 LYS 44 HG3 LYS 44 17.004 -6.504 3.878 343 HD2 LYS 44 HD2 LYS 44 17.028 -7.871 1.192 344 HD3 LYS 44 HD3 LYS 44 18.390 -7.802 2.309 345 HE2 LYS 44 HE2 LYS 44 17.054 -8.988 3.994 346 HE3 LYS 44 HE3 LYS 44 15.709 -9.073 2.856 347 HZ1 LYS 44 HZ1 LYS 44 16.960 -11.134 2.869 348 HZ2 LYS 44 HZ2 LYS 44 17.116 -10.369 1.362 349 HZ3 LYS 44 HZ3 LYS 44 18.387 -10.304 2.481 350 H VAL 45 H VAL 45 14.368 -4.467 0.725 351 HA VAL 45 HA VAL 45 16.714 -2.798 0.596 352 HB VAL 45 HB VAL 45 16.067 -2.594 -1.840 353 HG11 VAL 45 HG11 VAL 45 16.806 -4.887 -2.354 354 HG12 VAL 45 HG12 VAL 45 17.771 -4.135 -1.082 355 HG13 VAL 45 HG13 VAL 45 16.539 -5.327 -0.667 356 HG21 VAL 45 HG21 VAL 45 14.467 -4.211 -2.720 357 HG22 VAL 45 HG22 VAL 45 14.076 -4.727 -1.079 358 HG23 VAL 45 HG23 VAL 45 13.682 -3.092 -1.607 359 H VAL 46 H VAL 46 13.212 -2.306 0.202 360 HA VAL 46 HA VAL 46 13.592 0.438 -0.609 361 HB VAL 46 HB VAL 46 11.033 -1.023 0.070 362 HG11 VAL 46 HG11 VAL 46 10.830 1.412 0.223 363 HG12 VAL 46 HG12 VAL 46 11.452 1.563 -1.420 364 HG13 VAL 46 HG13 VAL 46 9.909 0.759 -1.132 365 HG21 VAL 46 HG21 VAL 46 12.339 -0.507 -2.599 366 HG22 VAL 46 HG22 VAL 46 12.182 -2.071 -1.797 367 HG23 VAL 46 HG23 VAL 46 10.743 -1.218 -2.358 368 H PHE 47 H PHE 47 12.261 -1.218 2.233 369 HA PHE 47 HA PHE 47 11.434 1.193 3.497 370 HB2 PHE 47 HB2 PHE 47 11.657 -1.652 4.454 371 HB3 PHE 47 HB3 PHE 47 11.119 -0.345 5.505 372 HD1 PHE 47 HD1 PHE 47 10.394 -1.621 2.066 373 HD2 PHE 47 HD2 PHE 47 8.865 -0.084 5.725 374 HE1 PHE 47 HE1 PHE 47 8.103 -1.888 1.216 375 HE2 PHE 47 HE2 PHE 47 6.571 -0.350 4.884 376 HZ PHE 47 HZ PHE 47 6.186 -1.257 2.626 377 H LYS 48 H LYS 48 14.446 -0.052 3.073 378 HA LYS 48 HA LYS 48 15.606 0.538 5.617 379 HB2 LYS 48 HB2 LYS 48 16.581 -1.109 4.120 380 HB3 LYS 48 HB3 LYS 48 16.836 0.116 2.891 381 HG2 LYS 48 HG2 LYS 48 18.476 1.223 4.269 382 HG3 LYS 48 HG3 LYS 48 18.156 0.105 5.597 383 HD2 LYS 48 HD2 LYS 48 20.198 -0.497 4.383 384 HD3 LYS 48 HD3 LYS 48 18.967 -1.755 4.245 385 HE2 LYS 48 HE2 LYS 48 19.997 -1.425 2.098 386 HE3 LYS 48 HE3 LYS 48 18.337 -0.835 2.035 387 HZ1 LYS 48 HZ1 LYS 48 19.779 0.717 0.944 388 HZ2 LYS 48 HZ2 LYS 48 19.218 1.429 2.375 389 HZ3 LYS 48 HZ3 LYS 48 20.795 0.815 2.298 390 H ASP 49 H ASP 49 14.870 2.317 2.746 391 HA ASP 49 HA ASP 49 16.711 4.455 3.193 392 HB2 ASP 49 HB2 ASP 49 15.768 3.889 0.954 393 HB3 ASP 49 HB3 ASP 49 14.206 4.486 1.508 394 H SER 50 H SER 50 16.500 6.211 4.401 395 HA SER 50 HA SER 50 14.464 6.314 6.365 396 HB2 SER 50 HB2 SER 50 15.644 8.512 6.945 397 HB3 SER 50 HB3 SER 50 16.608 7.038 7.022 398 HG SER 50 HG SER 50 17.694 8.726 5.908 399 H LEU 51 H LEU 51 15.183 8.364 3.545 400 HA LEU 51 HA LEU 51 13.205 10.303 4.118 401 HB2 LEU 51 HB2 LEU 51 14.536 9.586 1.508 402 HB3 LEU 51 HB3 LEU 51 13.551 11.008 1.772 403 HG LEU 51 HG LEU 51 16.162 10.408 3.159 404 HD11 LEU 51 HD11 LEU 51 15.474 12.420 1.023 405 HD12 LEU 51 HD12 LEU 51 17.030 12.267 1.839 406 HD13 LEU 51 HD13 LEU 51 16.445 10.965 0.803 407 HD21 LEU 51 HD21 LEU 51 14.429 12.876 3.264 408 HD22 LEU 51 HD22 LEU 51 14.582 11.684 4.554 409 HD23 LEU 51 HD23 LEU 51 15.979 12.646 4.074 410 H VAL 52 H VAL 52 13.259 7.450 2.034 411 HA VAL 52 HA VAL 52 10.636 7.762 1.008 412 HB VAL 52 HB VAL 52 12.304 5.255 1.325 413 HG11 VAL 52 HG11 VAL 52 9.963 4.666 1.072 414 HG12 VAL 52 HG12 VAL 52 9.833 5.717 -0.338 415 HG13 VAL 52 HG13 VAL 52 10.855 4.283 -0.400 416 HG21 VAL 52 HG21 VAL 52 12.793 5.583 -1.064 417 HG22 VAL 52 HG22 VAL 52 11.904 7.105 -1.023 418 HG23 VAL 52 HG23 VAL 52 13.377 6.918 -0.072 419 H ALA 53 H ALA 53 11.916 6.314 3.937 420 HA ALA 53 HA ALA 53 9.557 4.968 4.751 421 HB1 ALA 53 HB1 ALA 53 10.585 4.874 6.960 422 HB2 ALA 53 HB2 ALA 53 11.762 4.474 5.709 423 HB3 ALA 53 HB3 ALA 53 11.787 6.066 6.466 424 H ASP 54 H ASP 54 10.929 8.113 5.688 425 HA ASP 54 HA ASP 54 8.841 8.942 7.352 426 HB2 ASP 54 HB2 ASP 54 10.952 10.125 7.348 427 HB3 ASP 54 HB3 ASP 54 10.745 10.572 5.658 428 H TYR 55 H TYR 55 9.276 9.208 3.883 429 HA TYR 55 HA TYR 55 7.222 11.014 3.334 430 HB2 TYR 55 HB2 TYR 55 9.017 10.343 1.749 431 HB3 TYR 55 HB3 TYR 55 8.249 8.770 1.582 432 HD1 TYR 55 HD1 TYR 55 7.768 12.395 0.964 433 HD2 TYR 55 HD2 TYR 55 6.496 8.439 0.039 434 HE1 TYR 55 HE1 TYR 55 6.427 13.267 -0.903 435 HE2 TYR 55 HE2 TYR 55 5.146 9.304 -1.824 436 HH TYR 55 HH TYR 55 5.478 12.463 -3.012 437 H PHE 56 H PHE 56 7.135 7.436 3.052 438 HA PHE 56 HA PHE 56 4.351 7.434 2.474 439 HB2 PHE 56 HB2 PHE 56 6.274 5.242 3.211 440 HB3 PHE 56 HB3 PHE 56 4.571 4.944 2.905 441 HD1 PHE 56 HD1 PHE 56 3.842 6.399 0.628 442 HD2 PHE 56 HD2 PHE 56 7.588 4.566 1.478 443 HE1 PHE 56 HE1 PHE 56 4.303 6.240 -1.785 444 HE2 PHE 56 HE2 PHE 56 8.057 4.400 -0.936 445 HZ PHE 56 HZ PHE 56 6.411 5.240 -2.570 446 H ASN 57 H ASN 57 6.233 6.930 5.411 447 HA ASN 57 HA ASN 57 4.089 5.875 6.947 448 HB2 ASN 57 HB2 ASN 57 6.469 5.524 7.521 449 HB3 ASN 57 HB3 ASN 57 6.614 7.233 7.905 450 HD21 ASN 57 HD21 ASN 57 3.867 5.164 8.679 451 HD22 ASN 57 HD22 ASN 57 4.074 5.260 10.396 452 H ARG 58 H ARG 58 5.349 9.153 6.505 453 HA ARG 58 HA ARG 58 3.634 10.131 8.636 454 HB2 ARG 58 HB2 ARG 58 6.018 10.892 8.292 455 HB3 ARG 58 HB3 ARG 58 5.456 11.744 6.865 456 HG2 ARG 58 HG2 ARG 58 4.356 13.334 8.052 457 HG3 ARG 58 HG3 ARG 58 4.029 12.256 9.410 458 HD2 ARG 58 HD2 ARG 58 5.641 14.048 9.952 459 HD3 ARG 58 HD3 ARG 58 6.304 12.430 10.164 460 HE ARG 58 HE ARG 58 7.597 12.748 8.166 461 HH11 ARG 58 HH11 ARG 58 5.949 15.614 9.336 462 HH12 ARG 58 HH12 ARG 58 7.051 16.716 8.566 463 HH21 ARG 58 HH21 ARG 58 9.018 14.176 7.123 464 HH22 ARG 58 HH22 ARG 58 8.789 15.899 7.279 465 H HIS 59 H HIS 59 3.805 10.306 5.110 466 HA HIS 59 HA HIS 59 1.732 12.356 5.068 467 HB2 HIS 59 HB2 HIS 59 3.268 11.034 2.823 468 HB3 HIS 59 HB3 HIS 59 2.030 12.261 2.583 469 HD1 HIS 59 HD1 HIS 59 3.049 14.464 2.138 470 HD2 HIS 59 HD2 HIS 59 5.318 12.224 4.821 471 HE1 HIS 59 HE1 HIS 59 5.027 15.897 2.724 472 HE2 HIS 59 HE2 HIS 59 6.489 14.444 4.177 473 H PHE 60 H PHE 60 1.944 8.958 4.911 474 HA PHE 60 HA PHE 60 -0.836 8.821 3.961 475 HB2 PHE 60 HB2 PHE 60 1.365 6.871 3.233 476 HB3 PHE 60 HB3 PHE 60 -0.322 6.759 2.746 477 HD1 PHE 60 HD1 PHE 60 -1.235 8.301 1.081 478 HD2 PHE 60 HD2 PHE 60 2.884 8.359 2.141 479 HE1 PHE 60 HE1 PHE 60 -0.738 9.612 -0.940 480 HE2 PHE 60 HE2 PHE 60 3.390 9.667 0.123 481 HZ PHE 60 HZ PHE 60 1.579 10.298 -1.419 482 H VAL 61 H VAL 61 -2.029 6.983 4.739 483 HA VAL 61 HA VAL 61 -1.104 5.988 7.315 484 HB VAL 61 HB VAL 61 -3.727 5.497 5.885 485 HG11 VAL 61 HG11 VAL 61 -3.230 3.704 7.436 486 HG12 VAL 61 HG12 VAL 61 -2.870 4.868 8.712 487 HG13 VAL 61 HG13 VAL 61 -4.516 4.719 8.091 488 HG21 VAL 61 HG21 VAL 61 -3.072 7.367 8.157 489 HG22 VAL 61 HG22 VAL 61 -3.402 7.843 6.491 490 HG23 VAL 61 HG23 VAL 61 -4.670 7.094 7.461 491 H ASN 62 H ASN 62 0.047 4.188 7.431 492 HA ASN 62 HA ASN 62 0.290 2.478 5.114 493 HB2 ASN 62 HB2 ASN 62 1.578 2.075 7.820 494 HB3 ASN 62 HB3 ASN 62 2.098 1.417 6.272 495 HD21 ASN 62 HD21 ASN 62 3.119 2.794 4.770 496 HD22 ASN 62 HD22 ASN 62 3.801 4.304 5.262 497 H LEU 63 H LEU 63 -1.430 1.205 4.795 498 HA LEU 63 HA LEU 63 -2.527 -0.301 7.069 499 HB2 LEU 63 HB2 LEU 63 -4.094 1.112 5.775 500 HB3 LEU 63 HB3 LEU 63 -3.705 0.194 4.333 501 HG LEU 63 HG LEU 63 -4.613 -1.847 5.457 502 HD11 LEU 63 HD11 LEU 63 -4.330 -1.108 7.762 503 HD12 LEU 63 HD12 LEU 63 -5.546 0.145 7.516 504 HD13 LEU 63 HD13 LEU 63 -6.003 -1.556 7.435 505 HD21 LEU 63 HD21 LEU 63 -6.528 0.470 5.202 506 HD22 LEU 63 HD22 LEU 63 -5.950 -0.539 3.878 507 HD23 LEU 63 HD23 LEU 63 -6.950 -1.242 5.149 508 H LYS 64 H LYS 64 -2.199 -2.432 7.185 509 HA LYS 64 HA LYS 64 -1.237 -3.831 4.771 510 HB2 LYS 64 HB2 LYS 64 0.505 -3.711 6.467 511 HB3 LYS 64 HB3 LYS 64 -0.595 -4.344 7.684 512 HG2 LYS 64 HG2 LYS 64 -0.673 -6.480 6.550 513 HG3 LYS 64 HG3 LYS 64 0.351 -5.852 5.255 514 HD2 LYS 64 HD2 LYS 64 2.192 -5.569 6.767 515 HD3 LYS 64 HD3 LYS 64 1.178 -5.977 8.153 516 HE2 LYS 64 HE2 LYS 64 1.788 -7.855 5.874 517 HE3 LYS 64 HE3 LYS 64 2.668 -7.824 7.403 518 HZ1 LYS 64 HZ1 LYS 64 0.612 -8.343 8.560 519 HZ2 LYS 64 HZ2 LYS 64 -0.240 -8.374 7.094 520 HZ3 LYS 64 HZ3 LYS 64 0.964 -9.531 7.409 521 H MET 65 H MET 65 -2.639 -5.295 3.983 522 HA MET 65 HA MET 65 -4.350 -6.740 5.864 523 HB2 MET 65 HB2 MET 65 -5.499 -4.627 4.949 524 HB3 MET 65 HB3 MET 65 -5.571 -5.487 3.418 525 HG2 MET 65 HG2 MET 65 -6.889 -7.237 4.408 526 HG3 MET 65 HG3 MET 65 -6.725 -6.500 6.001 527 HE1 MET 65 HE1 MET 65 -10.430 -5.726 5.567 528 HE2 MET 65 HE2 MET 65 -9.536 -7.224 5.304 529 HE3 MET 65 HE3 MET 65 -9.141 -6.191 6.678 530 H ASP 66 H ASP 66 -5.212 -8.669 5.062 531 HA ASP 66 HA ASP 66 -3.503 -9.907 3.071 532 HB2 ASP 66 HB2 ASP 66 -5.582 -11.048 4.954 533 HB3 ASP 66 HB3 ASP 66 -4.562 -12.004 3.892 534 H MET 67 H MET 67 -4.363 -11.214 1.360 535 HA MET 67 HA MET 67 -6.788 -10.129 0.170 536 HB2 MET 67 HB2 MET 67 -4.716 -12.095 -0.794 537 HB3 MET 67 HB3 MET 67 -6.188 -11.770 -1.694 538 HG2 MET 67 HG2 MET 67 -5.559 -9.403 -1.842 539 HG3 MET 67 HG3 MET 67 -4.060 -9.768 -0.987 540 HE1 MET 67 HE1 MET 67 -4.388 -8.331 -3.862 541 HE2 MET 67 HE2 MET 67 -2.826 -8.544 -3.069 542 HE3 MET 67 HE3 MET 67 -3.040 -9.055 -4.743 543 H GLU 68 H GLU 68 -6.268 -12.307 2.447 544 HA GLU 68 HA GLU 68 -8.348 -14.181 1.531 545 HB2 GLU 68 HB2 GLU 68 -5.888 -14.478 3.167 546 HB3 GLU 68 HB3 GLU 68 -7.282 -15.417 3.673 547 HG2 GLU 68 HG2 GLU 68 -5.893 -16.747 2.276 548 HG3 GLU 68 HG3 GLU 68 -7.399 -16.413 1.436 549 H LYS 69 H LYS 69 -7.193 -12.211 4.198 550 HA LYS 69 HA LYS 69 -9.479 -12.911 5.843 551 HB2 LYS 69 HB2 LYS 69 -7.277 -12.824 6.891 552 HB3 LYS 69 HB3 LYS 69 -7.095 -11.144 6.414 553 HG2 LYS 69 HG2 LYS 69 -9.018 -10.560 7.836 554 HG3 LYS 69 HG3 LYS 69 -9.113 -12.244 8.356 555 HD2 LYS 69 HD2 LYS 69 -6.837 -12.086 9.253 556 HD3 LYS 69 HD3 LYS 69 -6.760 -10.396 8.750 557 HE2 LYS 69 HE2 LYS 69 -8.698 -9.914 10.206 558 HE3 LYS 69 HE3 LYS 69 -8.677 -11.591 10.749 559 HZ1 LYS 69 HZ1 LYS 69 -7.545 -10.252 12.346 560 HZ2 LYS 69 HZ2 LYS 69 -6.382 -11.199 11.549 561 HZ3 LYS 69 HZ3 LYS 69 -6.554 -9.557 11.157 562 H GLY 70 H GLY 70 -11.232 -11.714 6.136 563 HA2 GLY 70 HA2 GLY 70 -12.511 -9.848 6.539 564 HA3 GLY 70 HA3 GLY 70 -11.077 -8.863 6.315 565 H GLU 71 H GLU 71 -11.089 -7.557 4.662 566 HA GLU 71 HA GLU 71 -13.242 -7.785 2.706 567 HB2 GLU 71 HB2 GLU 71 -11.353 -5.491 3.278 568 HB3 GLU 71 HB3 GLU 71 -12.760 -5.434 2.226 569 HG2 GLU 71 HG2 GLU 71 -14.238 -5.738 4.077 570 HG3 GLU 71 HG3 GLU 71 -12.885 -6.023 5.170 571 H GLY 72 H GLY 72 -10.240 -8.929 2.863 572 HA2 GLY 72 HA2 GLY 72 -8.855 -7.990 0.636 573 HA3 GLY 72 HA3 GLY 72 -8.675 -9.595 1.327 574 H VAL 73 H VAL 73 -11.153 -10.674 0.862 575 HA VAL 73 HA VAL 73 -10.951 -11.488 -1.829 576 HB VAL 73 HB VAL 73 -11.910 -12.942 -0.129 577 HG11 VAL 73 HG11 VAL 73 -14.211 -10.993 -0.031 578 HG12 VAL 73 HG12 VAL 73 -14.163 -12.566 0.765 579 HG13 VAL 73 HG13 VAL 73 -13.039 -11.298 1.254 580 HG21 VAL 73 HG21 VAL 73 -13.926 -12.250 -2.264 581 HG22 VAL 73 HG22 VAL 73 -12.549 -13.338 -2.445 582 HG23 VAL 73 HG23 VAL 73 -13.866 -13.757 -1.349 583 H GLU 74 H GLU 74 -12.844 -8.993 -0.276 584 HA GLU 74 HA GLU 74 -14.707 -8.585 -2.378 585 HB2 GLU 74 HB2 GLU 74 -14.888 -7.817 0.063 586 HB3 GLU 74 HB3 GLU 74 -13.842 -6.482 -0.400 587 HG2 GLU 74 HG2 GLU 74 -16.168 -5.811 -0.437 588 HG3 GLU 74 HG3 GLU 74 -15.477 -5.769 -2.060 589 H LEU 75 H LEU 75 -11.783 -6.814 -1.393 590 HA LEU 75 HA LEU 75 -11.779 -5.053 -3.608 591 HB2 LEU 75 HB2 LEU 75 -9.465 -5.938 -1.880 592 HB3 LEU 75 HB3 LEU 75 -9.468 -4.550 -2.951 593 HG LEU 75 HG LEU 75 -11.152 -4.886 -0.466 594 HD11 LEU 75 HD11 LEU 75 -9.815 -3.029 0.388 595 HD12 LEU 75 HD12 LEU 75 -8.798 -4.411 -0.021 596 HD13 LEU 75 HD13 LEU 75 -8.868 -3.019 -1.101 597 HD21 LEU 75 HD21 LEU 75 -11.001 -2.563 -2.385 598 HD22 LEU 75 HD22 LEU 75 -12.355 -3.679 -2.231 599 HD23 LEU 75 HD23 LEU 75 -11.929 -2.622 -0.886 600 H ARG 76 H ARG 76 -10.553 -8.242 -3.068 601 HA ARG 76 HA ARG 76 -8.713 -8.565 -5.111 602 HB2 ARG 76 HB2 ARG 76 -9.362 -10.163 -3.251 603 HB3 ARG 76 HB3 ARG 76 -10.731 -10.633 -4.241 604 HG2 ARG 76 HG2 ARG 76 -9.245 -11.465 -5.956 605 HG3 ARG 76 HG3 ARG 76 -7.842 -10.912 -5.033 606 HD2 ARG 76 HD2 ARG 76 -8.606 -12.368 -3.155 607 HD3 ARG 76 HD3 ARG 76 -9.839 -13.019 -4.230 608 HE ARG 76 HE ARG 76 -7.818 -13.649 -5.678 609 HH11 ARG 76 HH11 ARG 76 -7.858 -13.562 -2.187 610 HH12 ARG 76 HH12 ARG 76 -6.627 -14.769 -1.992 611 HH21 ARG 76 HH21 ARG 76 -6.173 -15.238 -5.453 612 HH22 ARG 76 HH22 ARG 76 -5.664 -15.726 -3.866 613 H LYS 77 H LYS 77 -12.231 -9.187 -5.208 614 HA LYS 77 HA LYS 77 -12.207 -9.574 -8.053 615 HB2 LYS 77 HB2 LYS 77 -14.392 -9.384 -6.004 616 HB3 LYS 77 HB3 LYS 77 -14.763 -9.385 -7.723 617 HG2 LYS 77 HG2 LYS 77 -13.474 -11.543 -7.884 618 HG3 LYS 77 HG3 LYS 77 -13.443 -11.556 -6.118 619 HD2 LYS 77 HD2 LYS 77 -15.811 -11.671 -5.992 620 HD3 LYS 77 HD3 LYS 77 -15.986 -11.323 -7.711 621 HE2 LYS 77 HE2 LYS 77 -16.375 -13.654 -7.396 622 HE3 LYS 77 HE3 LYS 77 -14.813 -13.473 -8.190 623 HZ1 LYS 77 HZ1 LYS 77 -15.233 -13.958 -5.287 624 HZ2 LYS 77 HZ2 LYS 77 -14.742 -15.117 -6.419 625 HZ3 LYS 77 HZ3 LYS 77 -13.727 -13.811 -6.054 626 H LYS 78 H LYS 78 -12.729 -6.896 -5.898 627 HA LYS 78 HA LYS 78 -14.083 -5.136 -7.587 628 HB2 LYS 78 HB2 LYS 78 -13.906 -4.536 -5.306 629 HB3 LYS 78 HB3 LYS 78 -12.158 -4.708 -5.314 630 HG2 LYS 78 HG2 LYS 78 -12.559 -2.405 -5.231 631 HG3 LYS 78 HG3 LYS 78 -12.104 -2.739 -6.900 632 HD2 LYS 78 HD2 LYS 78 -13.944 -1.249 -6.988 633 HD3 LYS 78 HD3 LYS 78 -14.574 -2.839 -7.425 634 HE2 LYS 78 HE2 LYS 78 -15.483 -3.139 -5.223 635 HE3 LYS 78 HE3 LYS 78 -14.714 -1.660 -4.651 636 HZ1 LYS 78 HZ1 LYS 78 -16.101 -0.394 -6.173 637 HZ2 LYS 78 HZ2 LYS 78 -16.837 -1.818 -6.722 638 HZ3 LYS 78 HZ3 LYS 78 -17.056 -1.316 -5.117 639 H TYR 79 H TYR 79 -10.581 -5.543 -7.090 640 HA TYR 79 HA TYR 79 -10.088 -3.673 -9.287 641 HB2 TYR 79 HB2 TYR 79 -8.163 -4.915 -7.309 642 HB3 TYR 79 HB3 TYR 79 -7.757 -3.688 -8.507 643 HD1 TYR 79 HD1 TYR 79 -8.887 -1.421 -8.340 644 HD2 TYR 79 HD2 TYR 79 -9.037 -4.294 -5.205 645 HE1 TYR 79 HE1 TYR 79 -9.531 0.343 -6.760 646 HE2 TYR 79 HE2 TYR 79 -9.684 -2.533 -3.619 647 HH TYR 79 HH TYR 79 -10.784 0.477 -4.560 648 H GLY 80 H GLY 80 -10.526 -6.911 -8.893 649 HA2 GLY 80 HA2 GLY 80 -10.262 -8.687 -10.313 650 HA3 GLY 80 HA3 GLY 80 -9.801 -7.527 -11.547 651 H VAL 81 H VAL 81 -8.140 -8.021 -8.489 652 HA VAL 81 HA VAL 81 -5.677 -8.365 -9.956 653 HB VAL 81 HB VAL 81 -4.620 -8.285 -7.705 654 HG11 VAL 81 HG11 VAL 81 -6.502 -6.029 -8.378 655 HG12 VAL 81 HG12 VAL 81 -5.112 -5.911 -7.299 656 HG13 VAL 81 HG13 VAL 81 -4.871 -6.260 -9.011 657 HG21 VAL 81 HG21 VAL 81 -7.439 -7.802 -6.753 658 HG22 VAL 81 HG22 VAL 81 -6.440 -9.208 -6.382 659 HG23 VAL 81 HG23 VAL 81 -5.980 -7.616 -5.779 660 H HIS 82 H HIS 82 -4.530 -10.188 -10.153 661 HA HIS 82 HA HIS 82 -5.369 -12.546 -8.593 662 HB2 HIS 82 HB2 HIS 82 -4.402 -12.554 -11.465 663 HB3 HIS 82 HB3 HIS 82 -4.879 -13.965 -10.528 664 HD1 HIS 82 HD1 HIS 82 -6.192 -11.369 -12.746 665 HD2 HIS 82 HD2 HIS 82 -7.739 -14.031 -9.945 666 HE1 HIS 82 HE1 HIS 82 -8.676 -11.434 -13.165 667 HE2 HIS 82 HE2 HIS 82 -9.597 -13.038 -11.454 668 H ALA 83 H ALA 83 -3.125 -10.348 -8.758 669 HA ALA 83 HA ALA 83 -0.733 -11.958 -9.020 670 HB1 ALA 83 HB1 ALA 83 0.463 -9.870 -8.659 671 HB2 ALA 83 HB2 ALA 83 -0.782 -9.662 -9.891 672 HB3 ALA 83 HB3 ALA 83 -1.049 -9.056 -8.255 673 H TYR 84 H TYR 84 0.996 -11.285 -7.192 674 HA TYR 84 HA TYR 84 -0.240 -12.247 -4.718 675 HB2 TYR 84 HB2 TYR 84 2.700 -12.053 -5.380 676 HB3 TYR 84 HB3 TYR 84 1.981 -12.880 -4.001 677 HD1 TYR 84 HD1 TYR 84 0.278 -14.778 -4.575 678 HD2 TYR 84 HD2 TYR 84 3.154 -13.265 -7.318 679 HE1 TYR 84 HE1 TYR 84 0.080 -16.835 -5.908 680 HE2 TYR 84 HE2 TYR 84 2.954 -15.311 -8.663 681 HH TYR 84 HH TYR 84 0.472 -17.620 -8.142 682 HA PRO 85 HA PRO 85 1.530 -8.179 -3.211 683 HB2 PRO 85 HB2 PRO 85 3.473 -6.897 -4.742 684 HB3 PRO 85 HB3 PRO 85 3.783 -7.975 -3.379 685 HG2 PRO 85 HG2 PRO 85 4.420 -8.433 -6.098 686 HG3 PRO 85 HG3 PRO 85 4.548 -9.586 -4.760 687 HD2 PRO 85 HD2 PRO 85 2.390 -9.275 -6.796 688 HD3 PRO 85 HD3 PRO 85 2.963 -10.741 -5.968 689 H THR 86 H THR 86 -0.171 -6.850 -3.459 690 HA THR 86 HA THR 86 -0.413 -5.331 -5.980 691 HB THR 86 HB THR 86 -2.597 -6.483 -4.233 692 HG1 THR 86 HG1 THR 86 -2.108 -6.791 -7.029 693 HG21 THR 86 HG21 THR 86 -4.203 -5.393 -5.714 694 HG22 THR 86 HG22 THR 86 -3.199 -4.197 -4.898 695 HG23 THR 86 HG23 THR 86 -2.885 -4.607 -6.584 696 H LEU 87 H LEU 87 -0.067 -3.233 -5.653 697 HA LEU 87 HA LEU 87 -0.456 -2.136 -2.966 698 HB2 LEU 87 HB2 LEU 87 1.099 -1.109 -5.338 699 HB3 LEU 87 HB3 LEU 87 0.816 -0.153 -3.899 700 HG LEU 87 HG LEU 87 2.999 -1.028 -3.696 701 HD11 LEU 87 HD11 LEU 87 2.880 -2.445 -1.722 702 HD12 LEU 87 HD12 LEU 87 1.700 -1.137 -1.642 703 HD13 LEU 87 HD13 LEU 87 1.178 -2.773 -2.049 704 HD21 LEU 87 HD21 LEU 87 3.542 -3.401 -3.887 705 HD22 LEU 87 HD22 LEU 87 1.870 -3.749 -4.325 706 HD23 LEU 87 HD23 LEU 87 2.874 -2.766 -5.390 707 H LEU 88 H LEU 88 -2.226 -1.037 -2.554 708 HA LEU 88 HA LEU 88 -3.689 0.167 -4.811 709 HB2 LEU 88 HB2 LEU 88 -4.708 -0.782 -2.132 710 HB3 LEU 88 HB3 LEU 88 -5.683 0.039 -3.335 711 HG LEU 88 HG LEU 88 -4.350 -2.643 -3.714 712 HD11 LEU 88 HD11 LEU 88 -7.240 -1.920 -3.276 713 HD12 LEU 88 HD12 LEU 88 -6.619 -3.531 -3.635 714 HD13 LEU 88 HD13 LEU 88 -6.185 -2.737 -2.120 715 HD21 LEU 88 HD21 LEU 88 -6.260 -1.115 -5.477 716 HD22 LEU 88 HD22 LEU 88 -4.550 -1.398 -5.800 717 HD23 LEU 88 HD23 LEU 88 -5.678 -2.754 -5.763 718 H PHE 89 H PHE 89 -3.942 2.294 -4.859 719 HA PHE 89 HA PHE 89 -3.285 3.834 -2.435 720 HB2 PHE 89 HB2 PHE 89 -3.184 4.847 -5.283 721 HB3 PHE 89 HB3 PHE 89 -2.492 5.597 -3.846 722 HD1 PHE 89 HD1 PHE 89 -0.630 4.295 -2.635 723 HD2 PHE 89 HD2 PHE 89 -1.895 3.459 -6.612 724 HE1 PHE 89 HE1 PHE 89 1.495 3.127 -3.061 725 HE2 PHE 89 HE2 PHE 89 0.228 2.293 -7.047 726 HZ PHE 89 HZ PHE 89 1.925 2.125 -5.269 727 H ILE 90 H ILE 90 -5.105 4.484 -1.472 728 HA ILE 90 HA ILE 90 -7.469 4.933 -3.174 729 HB ILE 90 HB ILE 90 -7.366 3.722 -0.407 730 HG12 ILE 90 HG12 ILE 90 -8.021 2.488 -3.095 731 HG13 ILE 90 HG13 ILE 90 -6.553 2.208 -2.168 732 HG21 ILE 90 HG21 ILE 90 -9.723 4.167 -2.226 733 HG22 ILE 90 HG22 ILE 90 -9.757 3.318 -0.681 734 HG23 ILE 90 HG23 ILE 90 -9.384 5.041 -0.734 735 HD11 ILE 90 HD11 ILE 90 -9.339 1.447 -1.333 736 HD12 ILE 90 HD12 ILE 90 -8.091 0.357 -1.936 737 HD13 ILE 90 HD13 ILE 90 -7.874 1.178 -0.390 738 H ASN 91 H ASN 91 -8.793 6.621 -2.749 739 HA ASN 91 HA ASN 91 -7.761 8.744 -1.052 740 HB2 ASN 91 HB2 ASN 91 -10.152 8.654 -2.904 741 HB3 ASN 91 HB3 ASN 91 -9.581 10.090 -2.063 742 HD21 ASN 91 HD21 ASN 91 -9.894 9.587 -4.895 743 HD22 ASN 91 HD22 ASN 91 -8.337 9.825 -5.611 744 H SER 92 H SER 92 -9.897 10.088 -0.175 745 HA SER 92 HA SER 92 -10.633 8.589 2.123 746 HB2 SER 92 HB2 SER 92 -12.046 10.703 2.564 747 HB3 SER 92 HB3 SER 92 -10.292 10.870 2.513 748 HG SER 92 HG SER 92 -10.459 12.083 0.802 749 H SER 93 H SER 93 -12.231 9.308 -0.897 750 HA SER 93 HA SER 93 -14.845 8.544 -0.003 751 HB2 SER 93 HB2 SER 93 -14.588 10.032 -1.916 752 HB3 SER 93 HB3 SER 93 -13.690 8.795 -2.794 753 HG SER 93 HG SER 93 -15.542 7.562 -2.939 754 H GLY 94 H GLY 94 -12.042 6.812 -0.838 755 HA2 GLY 94 HA2 GLY 94 -11.851 4.455 -0.649 756 HA3 GLY 94 HA3 GLY 94 -13.575 4.317 -0.963 757 H GLU 95 H GLU 95 -12.003 6.491 -3.013 758 HA GLU 95 HA GLU 95 -12.228 4.621 -5.238 759 HB2 GLU 95 HB2 GLU 95 -11.385 7.489 -5.508 760 HB3 GLU 95 HB3 GLU 95 -12.228 6.475 -6.668 761 HG2 GLU 95 HG2 GLU 95 -13.351 7.711 -4.169 762 HG3 GLU 95 HG3 GLU 95 -13.731 8.134 -5.837 763 H VAL 96 H VAL 96 -10.487 3.896 -6.416 764 HA VAL 96 HA VAL 96 -7.860 4.397 -5.259 765 HB VAL 96 HB VAL 96 -8.557 2.075 -5.793 766 HG11 VAL 96 HG11 VAL 96 -8.544 1.315 -8.131 767 HG12 VAL 96 HG12 VAL 96 -9.848 2.457 -7.804 768 HG13 VAL 96 HG13 VAL 96 -8.401 2.991 -8.661 769 HG21 VAL 96 HG21 VAL 96 -6.466 1.377 -6.810 770 HG22 VAL 96 HG22 VAL 96 -6.174 3.023 -7.371 771 HG23 VAL 96 HG23 VAL 96 -6.189 2.672 -5.643 772 H VAL 97 H VAL 97 -6.286 5.593 -6.196 773 HA VAL 97 HA VAL 97 -7.037 7.208 -8.478 774 HB VAL 97 HB VAL 97 -4.869 8.355 -8.136 775 HG11 VAL 97 HG11 VAL 97 -6.546 8.031 -5.656 776 HG12 VAL 97 HG12 VAL 97 -5.424 9.356 -5.970 777 HG13 VAL 97 HG13 VAL 97 -6.849 9.146 -6.988 778 HG21 VAL 97 HG21 VAL 97 -3.513 7.831 -6.164 779 HG22 VAL 97 HG22 VAL 97 -4.542 6.438 -5.829 780 HG23 VAL 97 HG23 VAL 97 -3.562 6.477 -7.294 781 H TYR 98 H TYR 98 -4.972 4.511 -7.790 782 HA TYR 98 HA TYR 98 -4.628 3.873 -10.537 783 HB2 TYR 98 HB2 TYR 98 -2.943 5.700 -10.296 784 HB3 TYR 98 HB3 TYR 98 -2.141 4.758 -9.045 785 HD1 TYR 98 HD1 TYR 98 -3.165 4.622 -12.619 786 HD2 TYR 98 HD2 TYR 98 -0.482 3.216 -9.634 787 HE1 TYR 98 HE1 TYR 98 -1.841 3.487 -14.352 788 HE2 TYR 98 HE2 TYR 98 0.851 2.083 -11.360 789 HH TYR 98 HH TYR 98 0.467 2.678 -14.672 790 H ARG 99 H ARG 99 -3.926 1.753 -10.780 791 HA ARG 99 HA ARG 99 -3.722 0.256 -8.261 792 HB2 ARG 99 HB2 ARG 99 -4.726 -0.522 -10.995 793 HB3 ARG 99 HB3 ARG 99 -4.416 -1.704 -9.729 794 HG2 ARG 99 HG2 ARG 99 -6.091 -0.754 -8.328 795 HG3 ARG 99 HG3 ARG 99 -6.288 0.627 -9.409 796 HD2 ARG 99 HD2 ARG 99 -6.877 -2.239 -10.145 797 HD3 ARG 99 HD3 ARG 99 -8.088 -1.058 -9.642 798 HE ARG 99 HE ARG 99 -6.997 0.234 -11.682 799 HH11 ARG 99 HH11 ARG 99 -7.970 -3.122 -11.419 800 HH12 ARG 99 HH12 ARG 99 -8.321 -3.287 -13.110 801 HH21 ARG 99 HH21 ARG 99 -7.421 0.009 -13.926 802 HH22 ARG 99 HH22 ARG 99 -7.981 -1.524 -14.544 803 H LEU 100 H LEU 100 -1.833 -0.577 -7.747 804 HA LEU 100 HA LEU 100 0.246 -0.811 -9.797 805 HB2 LEU 100 HB2 LEU 100 0.233 0.029 -7.106 806 HB3 LEU 100 HB3 LEU 100 1.105 -1.497 -7.131 807 HG LEU 100 HG LEU 100 2.657 0.349 -7.333 808 HD11 LEU 100 HD11 LEU 100 2.347 -1.139 -9.933 809 HD12 LEU 100 HD12 LEU 100 3.793 -0.273 -9.413 810 HD13 LEU 100 HD13 LEU 100 3.239 -1.685 -8.514 811 HD21 LEU 100 HD21 LEU 100 1.094 1.119 -9.792 812 HD22 LEU 100 HD22 LEU 100 1.170 2.017 -8.276 813 HD23 LEU 100 HD23 LEU 100 2.616 1.843 -9.271 814 H VAL 101 H VAL 101 0.974 -2.734 -10.499 815 HA VAL 101 HA VAL 101 0.072 -5.164 -9.073 816 HB VAL 101 HB VAL 101 0.677 -4.935 -12.036 817 HG11 VAL 101 HG11 VAL 101 -0.563 -7.154 -10.414 818 HG12 VAL 101 HG12 VAL 101 -0.384 -7.146 -12.169 819 HG13 VAL 101 HG13 VAL 101 1.045 -7.157 -11.137 820 HG21 VAL 101 HG21 VAL 101 -1.744 -5.116 -12.409 821 HG22 VAL 101 HG22 VAL 101 -2.014 -5.027 -10.667 822 HG23 VAL 101 HG23 VAL 101 -1.329 -3.647 -11.526 823 H GLY 102 H GLY 102 1.726 -6.115 -8.079 824 HA2 GLY 102 HA2 GLY 102 3.814 -7.141 -7.898 825 HA3 GLY 102 HA3 GLY 102 4.264 -6.444 -9.453 826 H ALA 103 H ALA 103 6.291 -5.853 -8.476 827 HA ALA 103 HA ALA 103 6.198 -3.227 -7.305 828 HB1 ALA 103 HB1 ALA 103 5.898 -4.590 -5.315 829 HB2 ALA 103 HB2 ALA 103 7.350 -5.509 -5.711 830 HB3 ALA 103 HB3 ALA 103 7.475 -3.799 -5.297 831 H GLU 104 H GLU 104 8.062 -2.095 -7.579 832 HA GLU 104 HA GLU 104 10.321 -3.521 -8.818 833 HB2 GLU 104 HB2 GLU 104 9.389 -0.672 -9.246 834 HB3 GLU 104 HB3 GLU 104 10.868 -1.346 -9.915 835 HG2 GLU 104 HG2 GLU 104 9.529 -3.000 -11.149 836 HG3 GLU 104 HG3 GLU 104 8.062 -2.256 -10.516 837 H ASP 105 H ASP 105 12.313 -1.746 -8.607 838 HA ASP 105 HA ASP 105 13.052 -1.937 -5.881 839 HB2 ASP 105 HB2 ASP 105 14.313 -0.401 -8.163 840 HB3 ASP 105 HB3 ASP 105 15.049 -0.599 -6.575 841 H ALA 106 H ALA 106 14.001 0.088 -4.724 842 HA ALA 106 HA ALA 106 11.817 1.456 -3.757 843 HB1 ALA 106 HB1 ALA 106 13.926 1.216 -2.542 844 HB2 ALA 106 HB2 ALA 106 14.670 2.408 -3.606 845 HB3 ALA 106 HB3 ALA 106 13.345 2.880 -2.545 846 HA PRO 107 HA PRO 107 12.963 5.443 -6.321 847 HB2 PRO 107 HB2 PRO 107 14.361 4.272 -8.650 848 HB3 PRO 107 HB3 PRO 107 14.728 5.740 -7.740 849 HG2 PRO 107 HG2 PRO 107 16.254 3.571 -7.500 850 HG3 PRO 107 HG3 PRO 107 15.886 4.589 -6.094 851 HD2 PRO 107 HD2 PRO 107 14.672 1.973 -6.910 852 HD3 PRO 107 HD3 PRO 107 15.174 2.524 -5.299 853 H GLU 108 H GLU 108 12.539 2.415 -8.123 854 HA GLU 108 HA GLU 108 10.767 3.555 -10.046 855 HB2 GLU 108 HB2 GLU 108 11.611 0.758 -9.362 856 HB3 GLU 108 HB3 GLU 108 10.298 1.044 -10.492 857 HG2 GLU 108 HG2 GLU 108 12.428 0.680 -11.627 858 HG3 GLU 108 HG3 GLU 108 11.773 2.281 -11.953 859 H LEU 109 H LEU 109 10.389 1.899 -6.993 860 HA LEU 109 HA LEU 109 7.637 1.359 -7.055 861 HB2 LEU 109 HB2 LEU 109 9.290 0.587 -5.329 862 HB3 LEU 109 HB3 LEU 109 9.285 2.207 -4.669 863 HG LEU 109 HG LEU 109 6.802 1.927 -4.279 864 HD11 LEU 109 HD11 LEU 109 7.449 -0.972 -4.798 865 HD12 LEU 109 HD12 LEU 109 5.925 -0.336 -4.181 866 HD13 LEU 109 HD13 LEU 109 6.446 0.057 -5.820 867 HD21 LEU 109 HD21 LEU 109 8.650 0.040 -2.827 868 HD22 LEU 109 HD22 LEU 109 8.482 1.765 -2.502 869 HD23 LEU 109 HD23 LEU 109 7.120 0.679 -2.224 870 H LEU 110 H LEU 110 9.400 4.129 -5.730 871 HA LEU 110 HA LEU 110 7.141 5.716 -5.159 872 HB2 LEU 110 HB2 LEU 110 9.375 6.120 -4.204 873 HB3 LEU 110 HB3 LEU 110 9.970 6.572 -5.789 874 HG LEU 110 HG LEU 110 8.407 8.497 -5.798 875 HD11 LEU 110 HD11 LEU 110 6.707 7.619 -4.295 876 HD12 LEU 110 HD12 LEU 110 7.852 7.665 -2.954 877 HD13 LEU 110 HD13 LEU 110 7.322 9.166 -3.714 878 HD21 LEU 110 HD21 LEU 110 9.635 9.840 -4.160 879 HD22 LEU 110 HD22 LEU 110 10.284 8.366 -3.442 880 HD23 LEU 110 HD23 LEU 110 10.712 8.803 -5.096 881 H LYS 111 H LYS 111 9.132 5.342 -8.025 882 HA LYS 111 HA LYS 111 8.187 7.481 -9.547 883 HB2 LYS 111 HB2 LYS 111 10.134 6.228 -10.211 884 HB3 LYS 111 HB3 LYS 111 9.196 4.752 -10.360 885 HG2 LYS 111 HG2 LYS 111 7.982 5.709 -12.250 886 HG3 LYS 111 HG3 LYS 111 8.936 7.190 -12.104 887 HD2 LYS 111 HD2 LYS 111 10.964 6.003 -12.600 888 HD3 LYS 111 HD3 LYS 111 10.123 4.453 -12.553 889 HE2 LYS 111 HE2 LYS 111 8.810 5.108 -14.506 890 HE3 LYS 111 HE3 LYS 111 9.631 6.668 -14.538 891 HZ1 LYS 111 HZ1 LYS 111 11.077 4.090 -14.769 892 HZ2 LYS 111 HZ2 LYS 111 10.510 4.950 -16.113 893 HZ3 LYS 111 HZ3 LYS 111 11.664 5.649 -15.093 894 H LYS 112 H LYS 112 6.994 4.128 -9.351 895 HA LYS 112 HA LYS 112 4.974 4.396 -11.277 896 HB2 LYS 112 HB2 LYS 112 5.300 2.505 -8.960 897 HB3 LYS 112 HB3 LYS 112 3.916 2.424 -10.040 898 HG2 LYS 112 HG2 LYS 112 6.778 2.223 -10.947 899 HG3 LYS 112 HG3 LYS 112 5.742 0.839 -10.595 900 HD2 LYS 112 HD2 LYS 112 5.050 2.967 -12.614 901 HD3 LYS 112 HD3 LYS 112 5.892 1.473 -13.025 902 HE2 LYS 112 HE2 LYS 112 3.996 0.173 -12.197 903 HE3 LYS 112 HE3 LYS 112 3.159 1.658 -11.752 904 HZ1 LYS 112 HZ1 LYS 112 3.973 0.966 -14.528 905 HZ2 LYS 112 HZ2 LYS 112 2.426 0.700 -13.895 906 HZ3 LYS 112 HZ3 LYS 112 3.014 2.280 -14.047 907 H VAL 113 H VAL 113 4.779 4.727 -7.727 908 HA VAL 113 HA VAL 113 1.984 5.244 -7.757 909 HB VAL 113 HB VAL 113 2.957 4.410 -5.716 910 HG11 VAL 113 HG11 VAL 113 4.474 5.734 -4.333 911 HG12 VAL 113 HG12 VAL 113 5.190 5.365 -5.903 912 HG13 VAL 113 HG13 VAL 113 4.537 6.973 -5.586 913 HG21 VAL 113 HG21 VAL 113 2.055 6.005 -4.093 914 HG22 VAL 113 HG22 VAL 113 2.008 7.248 -5.342 915 HG23 VAL 113 HG23 VAL 113 0.986 5.818 -5.482 916 H LYS 114 H LYS 114 4.829 7.353 -7.659 917 HA LYS 114 HA LYS 114 3.434 9.768 -7.273 918 HB2 LYS 114 HB2 LYS 114 5.890 9.460 -6.941 919 HB3 LYS 114 HB3 LYS 114 6.080 9.381 -8.683 920 HG2 LYS 114 HG2 LYS 114 5.165 11.658 -8.851 921 HG3 LYS 114 HG3 LYS 114 5.103 11.727 -7.087 922 HD2 LYS 114 HD2 LYS 114 7.542 11.236 -7.054 923 HD3 LYS 114 HD3 LYS 114 7.546 11.380 -8.812 924 HE2 LYS 114 HE2 LYS 114 6.727 13.528 -6.871 925 HE3 LYS 114 HE3 LYS 114 8.269 13.424 -7.709 926 HZ1 LYS 114 HZ1 LYS 114 5.638 13.671 -9.065 927 HZ2 LYS 114 HZ2 LYS 114 6.688 14.967 -8.762 928 HZ3 LYS 114 HZ3 LYS 114 7.162 13.715 -9.803 929 H LEU 115 H LEU 115 4.387 8.013 -10.188 930 HA LEU 115 HA LEU 115 3.491 10.105 -11.950 931 HB2 LEU 115 HB2 LEU 115 5.309 8.305 -12.351 932 HB3 LEU 115 HB3 LEU 115 3.975 7.243 -12.744 933 HG LEU 115 HG LEU 115 5.196 8.371 -14.681 934 HD11 LEU 115 HD11 LEU 115 3.065 7.252 -14.987 935 HD12 LEU 115 HD12 LEU 115 2.209 8.705 -14.469 936 HD13 LEU 115 HD13 LEU 115 3.147 8.718 -15.964 937 HD21 LEU 115 HD21 LEU 115 3.600 10.734 -13.703 938 HD22 LEU 115 HD22 LEU 115 5.360 10.597 -13.727 939 HD23 LEU 115 HD23 LEU 115 4.457 10.635 -15.242 940 H GLY 116 H GLY 116 2.129 7.223 -10.524 941 HA2 GLY 116 HA2 GLY 116 -0.034 6.853 -12.298 942 HA3 GLY 116 HA3 GLY 116 0.048 6.264 -10.646 943 H VAL 117 H VAL 117 0.274 8.825 -9.385 944 HA VAL 117 HA VAL 117 -2.488 9.768 -9.785 945 HB VAL 117 HB VAL 117 -1.936 8.805 -7.554 946 HG11 VAL 117 HG11 VAL 117 -0.091 11.175 -7.320 947 HG12 VAL 117 HG12 VAL 117 -0.534 10.086 -6.005 948 HG13 VAL 117 HG13 VAL 117 0.385 9.477 -7.382 949 HG21 VAL 117 HG21 VAL 117 -2.894 10.631 -6.215 950 HG22 VAL 117 HG22 VAL 117 -2.620 11.739 -7.558 951 HG23 VAL 117 HG23 VAL 117 -3.749 10.396 -7.739 952 H GLU 118 H GLU 118 0.705 10.564 -10.261 953 HA GLU 118 HA GLU 118 1.881 12.389 -10.809 954 HB2 GLU 118 HB2 GLU 118 0.064 12.650 -12.472 955 HB3 GLU 118 HB3 GLU 118 -0.778 13.702 -11.342 956 HG2 GLU 118 HG2 GLU 118 0.636 14.763 -13.186 957 HG3 GLU 118 HG3 GLU 118 0.788 15.397 -11.550 958 H SER 119 H SER 119 1.940 12.105 -8.299 959 HA SER 119 HA SER 119 2.661 13.179 -6.446 960 HB2 SER 119 HB2 SER 119 2.276 15.766 -7.952 961 HB3 SER 119 HB3 SER 119 3.401 15.438 -6.631 962 HG SER 119 HG SER 119 3.482 14.495 -9.307 963 H GLU 120 H GLU 120 2.046 14.705 -4.699 964 HA GLU 120 HA GLU 120 -0.510 15.995 -4.794 965 HB2 GLU 120 HB2 GLU 120 -1.167 13.621 -4.355 966 HB3 GLU 120 HB3 GLU 120 -0.221 13.676 -2.873 967 HG2 GLU 120 HG2 GLU 120 -2.602 14.015 -2.448 968 HG3 GLU 120 HG3 GLU 120 -1.647 15.425 -1.991 969 H GLY 121 H GLY 121 1.444 14.529 -2.191 970 HA2 GLY 121 HA2 GLY 121 3.008 16.578 -1.401 971 HA3 GLY 121 HA3 GLY 121 1.438 17.037 -0.755 Start of MODEL 7 1 H ALA 1 H ALA 1 13.789 2.656 12.819 2 HA ALA 1 HA ALA 1 14.253 4.289 14.540 3 HB1 ALA 1 HB1 ALA 1 13.450 3.936 16.801 4 HB2 ALA 1 HB2 ALA 1 12.090 4.116 15.693 5 HB3 ALA 1 HB3 ALA 1 12.544 2.516 16.281 6 H GLN 2 H GLN 2 13.797 0.816 15.233 7 HA GLN 2 HA GLN 2 16.476 0.543 16.273 8 HB2 GLN 2 HB2 GLN 2 14.620 -0.862 17.095 9 HB3 GLN 2 HB3 GLN 2 14.422 -1.542 15.486 10 HG2 GLN 2 HG2 GLN 2 16.785 -2.389 15.681 11 HG3 GLN 2 HG3 GLN 2 16.723 -1.913 17.379 12 HE21 GLN 2 HE21 GLN 2 15.266 -2.962 18.763 13 HE22 GLN 2 HE22 GLN 2 14.634 -4.533 18.383 14 H ALA 3 H ALA 3 14.766 -0.991 13.612 15 HA ALA 3 HA ALA 3 16.727 -0.320 11.636 16 HB1 ALA 3 HB1 ALA 3 17.331 -2.626 11.043 17 HB2 ALA 3 HB2 ALA 3 17.867 -2.234 12.677 18 HB3 ALA 3 HB3 ALA 3 16.428 -3.225 12.436 19 H ASP 4 H ASP 4 13.916 -0.135 12.392 20 HA ASP 4 HA ASP 4 12.537 -1.857 10.472 21 HB2 ASP 4 HB2 ASP 4 10.494 -1.245 11.757 22 HB3 ASP 4 HB3 ASP 4 11.718 -2.026 12.754 23 H GLY 5 H GLY 5 11.769 -1.034 8.659 24 HA2 GLY 5 HA2 GLY 5 11.812 1.860 8.278 25 HA3 GLY 5 HA3 GLY 5 11.656 0.647 7.021 26 H ILE 6 H ILE 6 9.855 1.201 6.017 27 HA ILE 6 HA ILE 6 7.521 2.263 7.119 28 HB ILE 6 HB ILE 6 7.799 0.557 4.637 29 HG12 ILE 6 HG12 ILE 6 7.768 3.565 4.948 30 HG13 ILE 6 HG13 ILE 6 9.206 2.597 4.653 31 HG21 ILE 6 HG21 ILE 6 5.487 0.675 5.400 32 HG22 ILE 6 HG22 ILE 6 5.588 2.434 5.455 33 HG23 ILE 6 HG23 ILE 6 5.710 1.592 3.910 34 HD11 ILE 6 HD11 ILE 6 8.394 3.655 2.617 35 HD12 ILE 6 HD12 ILE 6 8.312 1.898 2.508 36 HD13 ILE 6 HD13 ILE 6 6.845 2.831 2.801 37 H ALA 7 H ALA 7 6.098 1.402 8.461 38 HA ALA 7 HA ALA 7 5.603 -1.497 8.327 39 HB1 ALA 7 HB1 ALA 7 6.597 -0.833 10.463 40 HB2 ALA 7 HB2 ALA 7 5.294 0.331 10.714 41 HB3 ALA 7 HB3 ALA 7 4.941 -1.396 10.678 42 H PHE 8 H PHE 8 3.663 -2.019 7.549 43 HA PHE 8 HA PHE 8 1.691 0.034 7.122 44 HB2 PHE 8 HB2 PHE 8 1.647 -2.934 6.527 45 HB3 PHE 8 HB3 PHE 8 0.439 -1.776 5.989 46 HD1 PHE 8 HD1 PHE 8 1.306 0.205 4.571 47 HD2 PHE 8 HD2 PHE 8 3.464 -3.406 5.179 48 HE1 PHE 8 HE1 PHE 8 2.641 0.671 2.560 49 HE2 PHE 8 HE2 PHE 8 4.809 -2.947 3.170 50 HZ PHE 8 HZ PHE 8 4.395 -0.906 1.856 51 H ARG 9 H ARG 9 0.014 0.479 8.404 52 HA ARG 9 HA ARG 9 -0.126 -0.972 10.919 53 HB2 ARG 9 HB2 ARG 9 -1.651 1.514 10.138 54 HB3 ARG 9 HB3 ARG 9 -1.305 0.931 11.762 55 HG2 ARG 9 HG2 ARG 9 1.137 1.264 11.240 56 HG3 ARG 9 HG3 ARG 9 0.624 2.096 9.774 57 HD2 ARG 9 HD2 ARG 9 -0.010 2.882 12.611 58 HD3 ARG 9 HD3 ARG 9 1.101 3.698 11.518 59 HE ARG 9 HE ARG 9 -1.832 3.663 11.298 60 HH11 ARG 9 HH11 ARG 9 1.275 4.978 10.335 61 HH12 ARG 9 HH12 ARG 9 0.593 6.426 9.655 62 HH21 ARG 9 HH21 ARG 9 -2.713 5.598 10.423 63 HH22 ARG 9 HH22 ARG 9 -1.653 6.782 9.721 64 H GLU 10 H GLU 10 -2.047 -1.818 11.791 65 HA GLU 10 HA GLU 10 -3.851 -2.779 9.689 66 HB2 GLU 10 HB2 GLU 10 -3.393 -3.893 12.463 67 HB3 GLU 10 HB3 GLU 10 -4.371 -4.625 11.196 68 HG2 GLU 10 HG2 GLU 10 -2.345 -4.825 9.801 69 HG3 GLU 10 HG3 GLU 10 -1.393 -4.199 11.146 70 H LEU 11 H LEU 11 -5.542 -1.444 9.527 71 HA LEU 11 HA LEU 11 -7.133 -0.953 11.938 72 HB2 LEU 11 HB2 LEU 11 -6.520 0.910 9.651 73 HB3 LEU 11 HB3 LEU 11 -7.848 1.168 10.753 74 HG LEU 11 HG LEU 11 -4.936 1.084 11.526 75 HD11 LEU 11 HD11 LEU 11 -5.460 3.065 10.233 76 HD12 LEU 11 HD12 LEU 11 -6.851 3.395 11.267 77 HD13 LEU 11 HD13 LEU 11 -5.220 3.489 11.928 78 HD21 LEU 11 HD21 LEU 11 -6.390 0.292 13.318 79 HD22 LEU 11 HD22 LEU 11 -5.719 1.878 13.707 80 HD23 LEU 11 HD23 LEU 11 -7.389 1.736 13.156 81 H SER 12 H SER 12 -9.446 -0.695 11.479 82 HA SER 12 HA SER 12 -10.399 -2.524 9.498 83 HB2 SER 12 HB2 SER 12 -12.067 -0.539 11.049 84 HB3 SER 12 HB3 SER 12 -12.548 -2.124 10.436 85 HG SER 12 HG SER 12 -11.726 -3.033 12.155 86 H PHE 13 H PHE 13 -11.972 -1.929 7.807 87 HA PHE 13 HA PHE 13 -10.875 -0.090 6.040 88 HB2 PHE 13 HB2 PHE 13 -12.312 -2.003 5.412 89 HB3 PHE 13 HB3 PHE 13 -13.707 -1.151 6.016 90 HD1 PHE 13 HD1 PHE 13 -14.542 0.865 4.838 91 HD2 PHE 13 HD2 PHE 13 -11.395 -1.536 3.273 92 HE1 PHE 13 HE1 PHE 13 -14.893 1.856 2.613 93 HE2 PHE 13 HE2 PHE 13 -11.745 -0.552 1.046 94 HZ PHE 13 HZ PHE 13 -13.495 1.148 0.716 95 HA PRO 14 HA PRO 14 -14.376 3.164 7.212 96 HB2 PRO 14 HB2 PRO 14 -15.018 2.208 9.939 97 HB3 PRO 14 HB3 PRO 14 -16.081 2.898 8.710 98 HG2 PRO 14 HG2 PRO 14 -16.116 0.286 9.293 99 HG3 PRO 14 HG3 PRO 14 -16.381 0.882 7.645 100 HD2 PRO 14 HD2 PRO 14 -13.969 -0.420 8.820 101 HD3 PRO 14 HD3 PRO 14 -14.632 -0.513 7.184 102 H GLU 15 H GLU 15 -12.618 1.654 9.895 103 HA GLU 15 HA GLU 15 -12.028 3.952 11.343 104 HB2 GLU 15 HB2 GLU 15 -10.619 1.301 11.134 105 HB3 GLU 15 HB3 GLU 15 -10.094 2.564 12.233 106 HG2 GLU 15 HG2 GLU 15 -12.834 1.319 12.233 107 HG3 GLU 15 HG3 GLU 15 -11.512 0.854 13.303 108 H ALA 16 H ALA 16 -10.028 2.267 8.927 109 HA ALA 16 HA ALA 16 -7.821 3.996 9.166 110 HB1 ALA 16 HB1 ALA 16 -7.038 2.992 7.082 111 HB2 ALA 16 HB2 ALA 16 -7.658 1.768 8.189 112 HB3 ALA 16 HB3 ALA 16 -8.634 2.289 6.816 113 H LEU 17 H LEU 17 -10.623 4.021 7.024 114 HA LEU 17 HA LEU 17 -9.866 6.129 5.338 115 HB2 LEU 17 HB2 LEU 17 -11.823 4.622 5.002 116 HB3 LEU 17 HB3 LEU 17 -12.646 5.447 6.305 117 HG LEU 17 HG LEU 17 -12.554 7.552 4.988 118 HD11 LEU 17 HD11 LEU 17 -11.466 5.741 2.841 119 HD12 LEU 17 HD12 LEU 17 -12.042 7.388 2.585 120 HD13 LEU 17 HD13 LEU 17 -10.634 7.095 3.607 121 HD21 LEU 17 HD21 LEU 17 -14.298 6.919 3.398 122 HD22 LEU 17 HD22 LEU 17 -13.884 5.219 3.616 123 HD23 LEU 17 HD23 LEU 17 -14.544 6.146 4.963 124 H LYS 18 H LYS 18 -11.835 6.140 8.257 125 HA LYS 18 HA LYS 18 -12.201 8.891 8.541 126 HB2 LYS 18 HB2 LYS 18 -13.460 7.208 9.793 127 HB3 LYS 18 HB3 LYS 18 -12.007 6.734 10.655 128 HG2 LYS 18 HG2 LYS 18 -13.451 8.107 12.037 129 HG3 LYS 18 HG3 LYS 18 -11.911 8.914 11.727 130 HD2 LYS 18 HD2 LYS 18 -12.889 10.416 10.200 131 HD3 LYS 18 HD3 LYS 18 -14.356 9.447 10.056 132 HE2 LYS 18 HE2 LYS 18 -14.625 11.518 11.416 133 HE3 LYS 18 HE3 LYS 18 -15.043 10.034 12.270 134 HZ1 LYS 18 HZ1 LYS 18 -12.944 10.094 13.406 135 HZ2 LYS 18 HZ2 LYS 18 -12.445 11.447 12.517 136 HZ3 LYS 18 HZ3 LYS 18 -13.723 11.587 13.619 137 H ARG 19 H ARG 19 -9.640 6.792 9.791 138 HA ARG 19 HA ARG 19 -8.285 8.647 11.350 139 HB2 ARG 19 HB2 ARG 19 -8.091 6.141 11.338 140 HB3 ARG 19 HB3 ARG 19 -7.147 6.277 9.867 141 HG2 ARG 19 HG2 ARG 19 -5.612 6.050 11.604 142 HG3 ARG 19 HG3 ARG 19 -5.607 7.743 11.118 143 HD2 ARG 19 HD2 ARG 19 -5.607 7.284 13.600 144 HD3 ARG 19 HD3 ARG 19 -6.813 8.419 13.010 145 HE ARG 19 HE ARG 19 -8.483 6.723 13.296 146 HH11 ARG 19 HH11 ARG 19 -5.339 5.903 14.621 147 HH12 ARG 19 HH12 ARG 19 -5.981 4.726 15.724 148 HH21 ARG 19 HH21 ARG 19 -9.310 5.181 14.754 149 HH22 ARG 19 HH22 ARG 19 -8.228 4.321 15.811 150 H ALA 20 H ALA 20 -7.701 7.594 7.995 151 HA ALA 20 HA ALA 20 -5.518 9.280 7.430 152 HB1 ALA 20 HB1 ALA 20 -6.022 8.857 5.093 153 HB2 ALA 20 HB2 ALA 20 -6.199 7.369 6.026 154 HB3 ALA 20 HB3 ALA 20 -7.629 8.271 5.521 155 H GLU 21 H GLU 21 -8.985 9.777 7.201 156 HA GLU 21 HA GLU 21 -8.937 12.163 5.721 157 HB2 GLU 21 HB2 GLU 21 -10.916 10.730 5.968 158 HB3 GLU 21 HB3 GLU 21 -11.007 11.145 7.673 159 HG2 GLU 21 HG2 GLU 21 -11.483 13.450 7.116 160 HG3 GLU 21 HG3 GLU 21 -11.306 13.089 5.398 161 H VAL 22 H VAL 22 -8.738 11.559 9.196 162 HA VAL 22 HA VAL 22 -9.114 14.383 9.741 163 HB VAL 22 HB VAL 22 -9.058 13.767 12.128 164 HG11 VAL 22 HG11 VAL 22 -10.932 12.122 10.431 165 HG12 VAL 22 HG12 VAL 22 -11.176 12.543 12.126 166 HG13 VAL 22 HG13 VAL 22 -11.162 13.808 10.897 167 HG21 VAL 22 HG21 VAL 22 -7.555 11.846 12.006 168 HG22 VAL 22 HG22 VAL 22 -9.080 11.408 12.778 169 HG23 VAL 22 HG23 VAL 22 -8.772 10.941 11.106 170 H GLU 23 H GLU 23 -6.452 12.019 10.003 171 HA GLU 23 HA GLU 23 -4.837 14.140 11.229 172 HB2 GLU 23 HB2 GLU 23 -4.914 11.967 12.396 173 HB3 GLU 23 HB3 GLU 23 -4.215 11.191 10.978 174 HG2 GLU 23 HG2 GLU 23 -2.216 12.620 11.228 175 HG3 GLU 23 HG3 GLU 23 -2.912 13.297 12.695 176 H ASP 24 H ASP 24 -4.913 12.055 8.377 177 HA ASP 24 HA ASP 24 -2.411 13.342 7.528 178 HB2 ASP 24 HB2 ASP 24 -3.293 10.497 7.059 179 HB3 ASP 24 HB3 ASP 24 -1.928 11.245 6.237 180 H LYS 25 H LYS 25 -3.069 11.549 5.020 181 HA LYS 25 HA LYS 25 -4.375 13.830 3.708 182 HB2 LYS 25 HB2 LYS 25 -2.001 13.766 3.229 183 HB3 LYS 25 HB3 LYS 25 -2.121 12.085 2.715 184 HG2 LYS 25 HG2 LYS 25 -3.549 12.785 0.842 185 HG3 LYS 25 HG3 LYS 25 -3.358 14.467 1.347 186 HD2 LYS 25 HD2 LYS 25 -0.914 14.231 1.075 187 HD3 LYS 25 HD3 LYS 25 -1.162 12.591 0.478 188 HE2 LYS 25 HE2 LYS 25 -0.859 14.261 -1.331 189 HE3 LYS 25 HE3 LYS 25 -2.394 13.400 -1.417 190 HZ1 LYS 25 HZ1 LYS 25 -2.456 15.889 -1.764 191 HZ2 LYS 25 HZ2 LYS 25 -3.557 15.258 -0.641 192 HZ3 LYS 25 HZ3 LYS 25 -2.151 16.041 -0.106 193 H LEU 26 H LEU 26 -3.535 10.454 2.923 194 HA LEU 26 HA LEU 26 -6.222 10.075 1.854 195 HB2 LEU 26 HB2 LEU 26 -4.770 11.044 0.065 196 HB3 LEU 26 HB3 LEU 26 -3.737 9.637 0.197 197 HG LEU 26 HG LEU 26 -6.533 8.948 -0.289 198 HD11 LEU 26 HD11 LEU 26 -6.512 11.036 -1.531 199 HD12 LEU 26 HD12 LEU 26 -5.027 10.553 -2.349 200 HD13 LEU 26 HD13 LEU 26 -6.521 9.663 -2.638 201 HD21 LEU 26 HD21 LEU 26 -3.946 8.325 -1.709 202 HD22 LEU 26 HD22 LEU 26 -4.703 7.352 -0.448 203 HD23 LEU 26 HD23 LEU 26 -5.499 7.545 -2.010 204 H LEU 27 H LEU 27 -6.602 7.810 1.191 205 HA LEU 27 HA LEU 27 -5.530 6.074 3.255 206 HB2 LEU 27 HB2 LEU 27 -7.979 6.327 2.779 207 HB3 LEU 27 HB3 LEU 27 -7.709 5.560 1.228 208 HG LEU 27 HG LEU 27 -6.867 3.538 2.493 209 HD11 LEU 27 HD11 LEU 27 -8.111 4.996 4.819 210 HD12 LEU 27 HD12 LEU 27 -7.529 3.330 4.828 211 HD13 LEU 27 HD13 LEU 27 -6.392 4.660 4.610 212 HD21 LEU 27 HD21 LEU 27 -9.724 4.386 2.962 213 HD22 LEU 27 HD22 LEU 27 -9.097 3.626 1.497 214 HD23 LEU 27 HD23 LEU 27 -9.109 2.734 3.019 215 H PHE 28 H PHE 28 -3.620 5.152 2.713 216 HA PHE 28 HA PHE 28 -3.368 4.001 0.020 217 HB2 PHE 28 HB2 PHE 28 -1.563 5.540 0.626 218 HB3 PHE 28 HB3 PHE 28 -1.226 4.605 2.078 219 HD1 PHE 28 HD1 PHE 28 -1.508 4.097 -1.611 220 HD2 PHE 28 HD2 PHE 28 0.517 3.125 2.002 221 HE1 PHE 28 HE1 PHE 28 0.079 2.712 -2.880 222 HE2 PHE 28 HE2 PHE 28 2.106 1.736 0.740 223 HZ PHE 28 HZ PHE 28 1.887 1.528 -1.701 224 H VAL 29 H VAL 29 -3.786 1.906 -0.138 225 HA VAL 29 HA VAL 29 -3.594 0.272 2.310 226 HB VAL 29 HB VAL 29 -5.261 -0.279 -0.150 227 HG11 VAL 29 HG11 VAL 29 -4.678 -2.287 1.088 228 HG12 VAL 29 HG12 VAL 29 -5.263 -1.556 2.582 229 HG13 VAL 29 HG13 VAL 29 -6.392 -1.921 1.277 230 HG21 VAL 29 HG21 VAL 29 -7.185 0.417 1.186 231 HG22 VAL 29 HG22 VAL 29 -6.106 0.873 2.505 232 HG23 VAL 29 HG23 VAL 29 -6.037 1.739 0.971 233 H ASP 30 H ASP 30 -2.235 -1.405 2.370 234 HA ASP 30 HA ASP 30 -1.008 -2.301 -0.155 235 HB2 ASP 30 HB2 ASP 30 0.680 -1.512 1.357 236 HB3 ASP 30 HB3 ASP 30 -0.008 -2.425 2.697 237 H CYS 31 H CYS 31 -1.713 -4.166 -0.902 238 HA CYS 31 HA CYS 31 -2.687 -6.179 1.013 239 HB2 CYS 31 HB2 CYS 31 -3.560 -5.733 -1.849 240 HB3 CYS 31 HB3 CYS 31 -4.100 -7.056 -0.827 241 HG CYS 31 HG CYS 31 -4.928 -3.768 -0.697 242 H PHE 32 H PHE 32 -1.252 -7.736 1.221 243 HA PHE 32 HA PHE 32 0.500 -8.352 -1.047 244 HB2 PHE 32 HB2 PHE 32 1.960 -9.452 0.626 245 HB3 PHE 32 HB3 PHE 32 1.697 -7.749 0.979 246 HD1 PHE 32 HD1 PHE 32 0.190 -7.091 2.833 247 HD2 PHE 32 HD2 PHE 32 1.260 -11.152 2.131 248 HE1 PHE 32 HE1 PHE 32 -0.548 -7.672 5.103 249 HE2 PHE 32 HE2 PHE 32 0.529 -11.738 4.411 250 HZ PHE 32 HZ PHE 32 -0.375 -9.996 5.897 251 H THR 33 H THR 33 0.744 -10.435 -1.788 252 HA THR 33 HA THR 33 -1.327 -12.333 -0.976 253 HB THR 33 HB THR 33 0.567 -12.518 -3.337 254 HG1 THR 33 HG1 THR 33 -1.023 -11.537 -4.534 255 HG21 THR 33 HG21 THR 33 -1.078 -14.108 -4.212 256 HG22 THR 33 HG22 THR 33 -0.440 -14.654 -2.661 257 HG23 THR 33 HG23 THR 33 -2.043 -13.922 -2.749 258 H THR 34 H THR 34 -0.780 -14.473 -0.398 259 HA THR 34 HA THR 34 1.206 -14.582 1.538 260 HB THR 34 HB THR 34 0.664 -17.162 1.295 261 HG1 THR 34 HG1 THR 34 -0.515 -17.322 -0.512 262 HG21 THR 34 HG21 THR 34 -1.300 -16.806 2.688 263 HG22 THR 34 HG22 THR 34 -0.018 -15.684 3.146 264 HG23 THR 34 HG23 THR 34 -1.380 -15.121 2.178 265 H TRP 35 H TRP 35 1.641 -14.977 -1.781 266 HA TRP 35 HA TRP 35 3.688 -16.899 -1.881 267 HB2 TRP 35 HB2 TRP 35 3.024 -14.542 -3.635 268 HB3 TRP 35 HB3 TRP 35 4.356 -15.640 -3.991 269 HD1 TRP 35 HD1 TRP 35 0.792 -15.201 -4.738 270 HE1 TRP 35 HE1 TRP 35 -0.209 -17.372 -5.706 271 HE3 TRP 35 HE3 TRP 35 4.549 -18.417 -3.516 272 HZ2 TRP 35 HZ2 TRP 35 0.510 -20.096 -5.911 273 HZ3 TRP 35 HZ3 TRP 35 4.321 -20.792 -4.126 274 HH2 TRP 35 HH2 TRP 35 2.339 -21.609 -5.299 275 H CYS 36 H CYS 36 3.781 -13.398 -1.456 276 HA CYS 36 HA CYS 36 5.334 -11.969 -0.660 277 HB2 CYS 36 HB2 CYS 36 6.272 -14.450 0.778 278 HB3 CYS 36 HB3 CYS 36 6.794 -12.812 1.160 279 HG CYS 36 HG CYS 36 5.014 -12.707 3.021 280 H GLY 37 H GLY 37 5.972 -13.394 -3.176 281 HA2 GLY 37 HA2 GLY 37 8.739 -13.951 -3.297 282 HA3 GLY 37 HA3 GLY 37 7.715 -13.552 -4.664 283 HA PRO 38 HA PRO 38 9.450 -9.479 -5.125 284 HB2 PRO 38 HB2 PRO 38 6.772 -8.307 -4.587 285 HB3 PRO 38 HB3 PRO 38 7.844 -8.077 -5.972 286 HG2 PRO 38 HG2 PRO 38 5.648 -9.589 -6.157 287 HG3 PRO 38 HG3 PRO 38 7.142 -10.014 -7.011 288 HD2 PRO 38 HD2 PRO 38 5.963 -11.216 -4.548 289 HD3 PRO 38 HD3 PRO 38 6.879 -11.985 -5.857 290 H CYS 39 H CYS 39 7.140 -9.853 -2.473 291 HA CYS 39 HA CYS 39 7.851 -7.630 -0.946 292 HB2 CYS 39 HB2 CYS 39 5.845 -9.043 -0.554 293 HB3 CYS 39 HB3 CYS 39 6.889 -10.316 0.069 294 HG CYS 39 HG CYS 39 5.574 -7.762 1.641 295 H LYS 40 H LYS 40 9.416 -10.715 -1.331 296 HA LYS 40 HA LYS 40 11.008 -10.682 0.992 297 HB2 LYS 40 HB2 LYS 40 10.590 -12.619 -0.634 298 HB3 LYS 40 HB3 LYS 40 11.834 -11.894 -1.644 299 HG2 LYS 40 HG2 LYS 40 13.431 -12.097 0.206 300 HG3 LYS 40 HG3 LYS 40 12.183 -12.881 1.178 301 HD2 LYS 40 HD2 LYS 40 12.008 -14.616 -0.625 302 HD3 LYS 40 HD3 LYS 40 13.425 -13.882 -1.379 303 HE2 LYS 40 HE2 LYS 40 13.257 -15.140 1.354 304 HE3 LYS 40 HE3 LYS 40 14.130 -15.755 -0.047 305 HZ1 LYS 40 HZ1 LYS 40 14.739 -13.244 1.421 306 HZ2 LYS 40 HZ2 LYS 40 15.623 -14.690 1.503 307 HZ3 LYS 40 HZ3 LYS 40 15.572 -13.807 0.055 308 H ARG 41 H ARG 41 11.618 -9.516 -2.317 309 HA ARG 41 HA ARG 41 14.202 -8.489 -1.778 310 HB2 ARG 41 HB2 ARG 41 12.185 -8.039 -3.951 311 HB3 ARG 41 HB3 ARG 41 13.609 -7.020 -3.852 312 HG2 ARG 41 HG2 ARG 41 14.994 -9.103 -3.914 313 HG3 ARG 41 HG3 ARG 41 13.507 -9.988 -4.267 314 HD2 ARG 41 HD2 ARG 41 14.443 -7.643 -5.900 315 HD3 ARG 41 HD3 ARG 41 14.914 -9.300 -6.257 316 HE ARG 41 HE ARG 41 12.316 -9.611 -6.280 317 HH11 ARG 41 HH11 ARG 41 14.104 -6.846 -7.497 318 HH12 ARG 41 HH12 ARG 41 13.000 -6.552 -8.806 319 HH21 ARG 41 HH21 ARG 41 10.847 -9.199 -7.993 320 HH22 ARG 41 HH22 ARG 41 11.151 -7.874 -9.079 321 H LEU 42 H LEU 42 10.964 -7.158 -1.574 322 HA LEU 42 HA LEU 42 11.689 -4.458 -1.178 323 HB2 LEU 42 HB2 LEU 42 9.232 -5.906 -0.185 324 HB3 LEU 42 HB3 LEU 42 9.417 -4.168 -0.322 325 HG LEU 42 HG LEU 42 9.360 -6.130 -2.621 326 HD11 LEU 42 HD11 LEU 42 7.356 -4.067 -1.716 327 HD12 LEU 42 HD12 LEU 42 7.236 -5.053 -3.173 328 HD13 LEU 42 HD13 LEU 42 7.181 -5.818 -1.585 329 HD21 LEU 42 HD21 LEU 42 9.355 -4.154 -4.055 330 HD22 LEU 42 HD22 LEU 42 9.543 -3.119 -2.641 331 HD23 LEU 42 HD23 LEU 42 10.829 -4.237 -3.090 332 H SER 43 H SER 43 11.340 -7.185 0.995 333 HA SER 43 HA SER 43 11.254 -5.771 3.421 334 HB2 SER 43 HB2 SER 43 12.281 -8.564 2.871 335 HB3 SER 43 HB3 SER 43 11.902 -7.916 4.466 336 HG SER 43 HG SER 43 10.052 -8.143 2.315 337 H LYS 44 H LYS 44 13.934 -6.635 1.365 338 HA LYS 44 HA LYS 44 15.960 -6.389 3.355 339 HB2 LYS 44 HB2 LYS 44 16.199 -6.204 0.354 340 HB3 LYS 44 HB3 LYS 44 17.530 -6.427 1.480 341 HG2 LYS 44 HG2 LYS 44 16.472 -8.572 2.182 342 HG3 LYS 44 HG3 LYS 44 15.306 -8.353 0.875 343 HD2 LYS 44 HD2 LYS 44 18.296 -8.501 0.552 344 HD3 LYS 44 HD3 LYS 44 17.164 -9.808 0.208 345 HE2 LYS 44 HE2 LYS 44 16.118 -8.466 -1.528 346 HE3 LYS 44 HE3 LYS 44 17.187 -7.115 -1.153 347 HZ1 LYS 44 HZ1 LYS 44 19.076 -8.538 -1.764 348 HZ2 LYS 44 HZ2 LYS 44 17.997 -9.766 -2.220 349 HZ3 LYS 44 HZ3 LYS 44 18.012 -8.294 -3.059 350 H VAL 45 H VAL 45 14.849 -4.241 0.752 351 HA VAL 45 HA VAL 45 16.595 -2.151 1.856 352 HB VAL 45 HB VAL 45 17.065 -2.700 -0.430 353 HG11 VAL 45 HG11 VAL 45 15.506 -2.344 -2.259 354 HG12 VAL 45 HG12 VAL 45 14.924 -3.575 -1.137 355 HG13 VAL 45 HG13 VAL 45 14.240 -1.950 -1.096 356 HG21 VAL 45 HG21 VAL 45 17.430 -0.403 0.193 357 HG22 VAL 45 HG22 VAL 45 16.851 -0.468 -1.472 358 HG23 VAL 45 HG23 VAL 45 15.751 -0.008 -0.172 359 H VAL 46 H VAL 46 13.382 -2.517 0.446 360 HA VAL 46 HA VAL 46 12.513 0.114 0.818 361 HB VAL 46 HB VAL 46 10.792 -2.369 0.783 362 HG11 VAL 46 HG11 VAL 46 9.557 -0.450 1.578 363 HG12 VAL 46 HG12 VAL 46 10.126 0.515 0.218 364 HG13 VAL 46 HG13 VAL 46 9.042 -0.847 -0.061 365 HG21 VAL 46 HG21 VAL 46 12.250 -2.254 -1.166 366 HG22 VAL 46 HG22 VAL 46 10.570 -1.959 -1.614 367 HG23 VAL 46 HG23 VAL 46 11.699 -0.611 -1.489 368 H PHE 47 H PHE 47 12.075 -2.726 2.897 369 HA PHE 47 HA PHE 47 10.591 -1.207 4.855 370 HB2 PHE 47 HB2 PHE 47 11.523 -4.068 4.728 371 HB3 PHE 47 HB3 PHE 47 10.738 -3.400 6.153 372 HD1 PHE 47 HD1 PHE 47 10.257 -4.108 2.547 373 HD2 PHE 47 HD2 PHE 47 8.409 -3.188 6.268 374 HE1 PHE 47 HE1 PHE 47 8.055 -4.601 1.572 375 HE2 PHE 47 HE2 PHE 47 6.202 -3.682 5.297 376 HZ PHE 47 HZ PHE 47 6.022 -4.389 2.947 377 H LYS 48 H LYS 48 13.472 -0.529 4.300 378 HA LYS 48 HA LYS 48 14.347 -0.642 7.093 379 HB2 LYS 48 HB2 LYS 48 15.571 -2.369 5.870 380 HB3 LYS 48 HB3 LYS 48 16.116 -1.173 4.704 381 HG2 LYS 48 HG2 LYS 48 16.752 -0.563 7.505 382 HG3 LYS 48 HG3 LYS 48 17.543 -1.991 6.841 383 HD2 LYS 48 HD2 LYS 48 18.366 -0.635 4.957 384 HD3 LYS 48 HD3 LYS 48 17.598 0.788 5.663 385 HE2 LYS 48 HE2 LYS 48 19.024 0.644 7.606 386 HE3 LYS 48 HE3 LYS 48 19.727 -0.863 7.020 387 HZ1 LYS 48 HZ1 LYS 48 20.625 0.343 5.119 388 HZ2 LYS 48 HZ2 LYS 48 19.962 1.792 5.698 389 HZ3 LYS 48 HZ3 LYS 48 21.187 1.005 6.573 390 H ASP 49 H ASP 49 14.568 0.999 3.976 391 HA ASP 49 HA ASP 49 16.285 3.082 4.750 392 HB2 ASP 49 HB2 ASP 49 15.617 2.500 2.389 393 HB3 ASP 49 HB3 ASP 49 14.078 3.298 2.696 394 H SER 50 H SER 50 15.983 4.506 6.299 395 HA SER 50 HA SER 50 13.472 4.953 7.528 396 HB2 SER 50 HB2 SER 50 16.047 6.506 7.848 397 HB3 SER 50 HB3 SER 50 14.682 6.505 8.965 398 HG SER 50 HG SER 50 15.078 4.094 8.967 399 H LEU 51 H LEU 51 15.272 6.694 5.077 400 HA LEU 51 HA LEU 51 13.928 9.165 5.307 401 HB2 LEU 51 HB2 LEU 51 15.271 7.907 2.916 402 HB3 LEU 51 HB3 LEU 51 14.777 9.583 3.028 403 HG LEU 51 HG LEU 51 16.862 8.257 4.758 404 HD11 LEU 51 HD11 LEU 51 18.436 9.693 3.543 405 HD12 LEU 51 HD12 LEU 51 17.627 8.550 2.471 406 HD13 LEU 51 HD13 LEU 51 17.122 10.240 2.500 407 HD21 LEU 51 HD21 LEU 51 17.322 10.532 5.548 408 HD22 LEU 51 HD22 LEU 51 15.955 11.129 4.609 409 HD23 LEU 51 HD23 LEU 51 15.683 10.018 5.952 410 H VAL 52 H VAL 52 13.415 6.369 3.184 411 HA VAL 52 HA VAL 52 11.065 7.401 1.959 412 HB VAL 52 HB VAL 52 11.927 4.517 2.275 413 HG11 VAL 52 HG11 VAL 52 9.569 4.693 1.693 414 HG12 VAL 52 HG12 VAL 52 9.966 5.768 0.353 415 HG13 VAL 52 HG13 VAL 52 10.502 4.089 0.324 416 HG21 VAL 52 HG21 VAL 52 13.625 5.844 1.156 417 HG22 VAL 52 HG22 VAL 52 12.837 4.759 0.009 418 HG23 VAL 52 HG23 VAL 52 12.418 6.472 0.032 419 H ALA 53 H ALA 53 11.684 5.521 4.850 420 HA ALA 53 HA ALA 53 9.114 4.641 5.448 421 HB1 ALA 53 HB1 ALA 53 11.256 5.483 7.397 422 HB2 ALA 53 HB2 ALA 53 9.865 4.461 7.756 423 HB3 ALA 53 HB3 ALA 53 11.113 3.893 6.645 424 H ASP 54 H ASP 54 10.710 7.653 6.502 425 HA ASP 54 HA ASP 54 8.492 8.663 7.934 426 HB2 ASP 54 HB2 ASP 54 10.839 9.497 8.172 427 HB3 ASP 54 HB3 ASP 54 10.690 10.260 6.594 428 H TYR 55 H TYR 55 9.601 9.114 4.628 429 HA TYR 55 HA TYR 55 7.854 11.088 3.782 430 HB2 TYR 55 HB2 TYR 55 9.768 10.299 2.469 431 HB3 TYR 55 HB3 TYR 55 8.976 8.752 2.215 432 HD1 TYR 55 HD1 TYR 55 8.290 12.394 1.675 433 HD2 TYR 55 HD2 TYR 55 7.930 8.419 0.197 434 HE1 TYR 55 HE1 TYR 55 7.292 13.262 -0.396 435 HE2 TYR 55 HE2 TYR 55 6.926 9.277 -1.879 436 HH TYR 55 HH TYR 55 5.688 11.295 -2.622 437 H PHE 56 H PHE 56 7.419 7.554 3.419 438 HA PHE 56 HA PHE 56 4.797 7.798 2.376 439 HB2 PHE 56 HB2 PHE 56 6.528 5.577 3.281 440 HB3 PHE 56 HB3 PHE 56 4.796 5.264 3.285 441 HD1 PHE 56 HD1 PHE 56 7.676 6.164 1.166 442 HD2 PHE 56 HD2 PHE 56 3.590 4.980 1.275 443 HE1 PHE 56 HE1 PHE 56 7.743 5.712 -1.248 444 HE2 PHE 56 HE2 PHE 56 3.655 4.516 -1.139 445 HZ PHE 56 HZ PHE 56 5.732 4.883 -2.404 446 H ASN 57 H ASN 57 5.966 6.936 5.630 447 HA ASN 57 HA ASN 57 3.413 6.239 6.617 448 HB2 ASN 57 HB2 ASN 57 5.659 5.535 7.540 449 HB3 ASN 57 HB3 ASN 57 5.774 7.130 8.270 450 HD21 ASN 57 HD21 ASN 57 5.785 6.365 10.351 451 HD22 ASN 57 HD22 ASN 57 4.404 5.639 11.104 452 H ARG 58 H ARG 58 5.098 9.308 6.480 453 HA ARG 58 HA ARG 58 3.272 10.514 8.390 454 HB2 ARG 58 HB2 ARG 58 5.695 11.108 8.340 455 HB3 ARG 58 HB3 ARG 58 5.444 11.835 6.763 456 HG2 ARG 58 HG2 ARG 58 5.475 13.554 8.435 457 HG3 ARG 58 HG3 ARG 58 3.849 13.422 7.768 458 HD2 ARG 58 HD2 ARG 58 4.671 12.035 10.309 459 HD3 ARG 58 HD3 ARG 58 4.058 13.686 10.295 460 HE ARG 58 HE ARG 58 2.227 12.074 8.916 461 HH11 ARG 58 HH11 ARG 58 3.484 12.483 12.151 462 HH12 ARG 58 HH12 ARG 58 2.029 11.954 12.942 463 HH21 ARG 58 HH21 ARG 58 0.277 11.381 9.929 464 HH22 ARG 58 HH22 ARG 58 0.196 11.320 11.675 465 H HIS 59 H HIS 59 3.781 10.463 4.907 466 HA HIS 59 HA HIS 59 1.949 12.699 4.556 467 HB2 HIS 59 HB2 HIS 59 3.655 11.142 2.621 468 HB3 HIS 59 HB3 HIS 59 2.462 12.323 2.084 469 HD1 HIS 59 HD1 HIS 59 3.018 14.795 2.393 470 HD2 HIS 59 HD2 HIS 59 5.900 12.234 3.955 471 HE1 HIS 59 HE1 HIS 59 4.976 16.261 2.998 472 HE2 HIS 59 HE2 HIS 59 6.754 14.674 3.824 473 H PHE 60 H PHE 60 2.009 9.230 4.072 474 HA PHE 60 HA PHE 60 -0.862 9.386 3.453 475 HB2 PHE 60 HB2 PHE 60 1.229 7.582 2.242 476 HB3 PHE 60 HB3 PHE 60 -0.478 7.158 2.221 477 HD1 PHE 60 HD1 PHE 60 2.063 9.476 0.947 478 HD2 PHE 60 HD2 PHE 60 -2.021 8.297 0.790 479 HE1 PHE 60 HE1 PHE 60 1.759 10.809 -1.098 480 HE2 PHE 60 HE2 PHE 60 -2.330 9.626 -1.255 481 HZ PHE 60 HZ PHE 60 -0.439 10.882 -2.202 482 H VAL 61 H VAL 61 -2.111 7.560 4.219 483 HA VAL 61 HA VAL 61 -1.012 6.490 6.693 484 HB VAL 61 HB VAL 61 -3.800 6.235 5.539 485 HG11 VAL 61 HG11 VAL 61 -4.430 5.424 7.770 486 HG12 VAL 61 HG12 VAL 61 -3.253 4.355 7.005 487 HG13 VAL 61 HG13 VAL 61 -2.738 5.475 8.267 488 HG21 VAL 61 HG21 VAL 61 -4.407 7.851 7.282 489 HG22 VAL 61 HG22 VAL 61 -2.710 7.976 7.747 490 HG23 VAL 61 HG23 VAL 61 -3.229 8.521 6.152 491 H ASN 62 H ASN 62 -0.063 4.598 6.751 492 HA ASN 62 HA ASN 62 -0.231 2.787 4.497 493 HB2 ASN 62 HB2 ASN 62 1.412 2.758 7.033 494 HB3 ASN 62 HB3 ASN 62 1.494 1.493 5.810 495 HD21 ASN 62 HD21 ASN 62 3.475 3.462 6.803 496 HD22 ASN 62 HD22 ASN 62 4.051 4.271 5.391 497 H LEU 63 H LEU 63 -1.596 1.143 4.400 498 HA LEU 63 HA LEU 63 -2.781 0.152 6.913 499 HB2 LEU 63 HB2 LEU 63 -4.380 1.517 5.661 500 HB3 LEU 63 HB3 LEU 63 -4.108 0.543 4.230 501 HG LEU 63 HG LEU 63 -5.077 -1.407 5.398 502 HD11 LEU 63 HD11 LEU 63 -4.569 -0.773 7.684 503 HD12 LEU 63 HD12 LEU 63 -5.682 0.590 7.567 504 HD13 LEU 63 HD13 LEU 63 -6.299 -1.060 7.484 505 HD21 LEU 63 HD21 LEU 63 -6.461 -0.011 3.957 506 HD22 LEU 63 HD22 LEU 63 -7.393 -0.635 5.318 507 HD23 LEU 63 HD23 LEU 63 -6.838 1.039 5.323 508 H LYS 64 H LYS 64 -2.479 -1.938 7.250 509 HA LYS 64 HA LYS 64 -1.475 -3.617 5.080 510 HB2 LYS 64 HB2 LYS 64 -0.229 -3.689 7.159 511 HB3 LYS 64 HB3 LYS 64 -1.691 -4.069 8.062 512 HG2 LYS 64 HG2 LYS 64 -1.819 -6.170 6.610 513 HG3 LYS 64 HG3 LYS 64 -0.149 -5.810 6.172 514 HD2 LYS 64 HD2 LYS 64 0.582 -6.020 8.411 515 HD3 LYS 64 HD3 LYS 64 -1.075 -6.023 9.024 516 HE2 LYS 64 HE2 LYS 64 -1.416 -8.141 7.675 517 HE3 LYS 64 HE3 LYS 64 0.333 -8.167 7.452 518 HZ1 LYS 64 HZ1 LYS 64 0.616 -8.274 9.838 519 HZ2 LYS 64 HZ2 LYS 64 -1.063 -8.184 10.078 520 HZ3 LYS 64 HZ3 LYS 64 -0.387 -9.542 9.319 521 H MET 65 H MET 65 -2.817 -4.888 3.975 522 HA MET 65 HA MET 65 -5.117 -6.041 5.407 523 HB2 MET 65 HB2 MET 65 -5.083 -4.900 2.611 524 HB3 MET 65 HB3 MET 65 -6.363 -5.946 3.210 525 HG2 MET 65 HG2 MET 65 -5.588 -3.282 4.375 526 HG3 MET 65 HG3 MET 65 -6.972 -3.587 3.327 527 HE1 MET 65 HE1 MET 65 -8.109 -6.338 4.349 528 HE2 MET 65 HE2 MET 65 -9.274 -5.799 5.558 529 HE3 MET 65 HE3 MET 65 -9.115 -4.923 4.036 530 H ASP 66 H ASP 66 -5.362 -8.172 5.204 531 HA ASP 66 HA ASP 66 -3.439 -9.636 3.562 532 HB2 ASP 66 HB2 ASP 66 -4.030 -10.223 6.026 533 HB3 ASP 66 HB3 ASP 66 -5.516 -10.874 5.342 534 H MET 67 H MET 67 -4.151 -11.326 2.176 535 HA MET 67 HA MET 67 -6.332 -10.591 0.514 536 HB2 MET 67 HB2 MET 67 -4.477 -12.935 0.640 537 HB3 MET 67 HB3 MET 67 -5.765 -12.849 -0.561 538 HG2 MET 67 HG2 MET 67 -3.476 -10.918 -0.223 539 HG3 MET 67 HG3 MET 67 -3.680 -12.097 -1.517 540 HE1 MET 67 HE1 MET 67 -4.179 -8.675 -3.358 541 HE2 MET 67 HE2 MET 67 -3.056 -9.043 -2.048 542 HE3 MET 67 HE3 MET 67 -3.302 -10.206 -3.352 543 H GLU 68 H GLU 68 -5.960 -12.819 3.185 544 HA GLU 68 HA GLU 68 -8.666 -13.863 2.617 545 HB2 GLU 68 HB2 GLU 68 -6.469 -15.170 4.219 546 HB3 GLU 68 HB3 GLU 68 -8.056 -15.851 3.895 547 HG2 GLU 68 HG2 GLU 68 -7.478 -15.727 1.451 548 HG3 GLU 68 HG3 GLU 68 -5.830 -15.348 1.950 549 H LYS 69 H LYS 69 -7.569 -11.485 4.251 550 HA LYS 69 HA LYS 69 -8.864 -12.176 6.800 551 HB2 LYS 69 HB2 LYS 69 -6.590 -11.412 7.102 552 HB3 LYS 69 HB3 LYS 69 -6.900 -9.976 6.136 553 HG2 LYS 69 HG2 LYS 69 -6.847 -9.415 8.481 554 HG3 LYS 69 HG3 LYS 69 -8.472 -9.183 7.838 555 HD2 LYS 69 HD2 LYS 69 -8.654 -10.235 9.985 556 HD3 LYS 69 HD3 LYS 69 -9.081 -11.421 8.751 557 HE2 LYS 69 HE2 LYS 69 -6.827 -12.367 8.895 558 HE3 LYS 69 HE3 LYS 69 -6.411 -11.188 10.137 559 HZ1 LYS 69 HZ1 LYS 69 -8.513 -13.279 10.354 560 HZ2 LYS 69 HZ2 LYS 69 -6.999 -13.304 11.119 561 HZ3 LYS 69 HZ3 LYS 69 -8.146 -12.129 11.547 562 H GLY 70 H GLY 70 -10.919 -11.647 6.825 563 HA2 GLY 70 HA2 GLY 70 -12.843 -10.423 6.687 564 HA3 GLY 70 HA3 GLY 70 -11.808 -9.019 6.874 565 H GLU 71 H GLU 71 -11.931 -7.586 5.330 566 HA GLU 71 HA GLU 71 -13.540 -8.041 3.027 567 HB2 GLU 71 HB2 GLU 71 -11.837 -5.681 3.836 568 HB3 GLU 71 HB3 GLU 71 -12.900 -5.689 2.441 569 HG2 GLU 71 HG2 GLU 71 -13.963 -4.550 4.262 570 HG3 GLU 71 HG3 GLU 71 -14.823 -6.053 3.933 571 H GLY 72 H GLY 72 -10.377 -8.825 3.606 572 HA2 GLY 72 HA2 GLY 72 -8.958 -8.034 1.351 573 HA3 GLY 72 HA3 GLY 72 -8.658 -9.514 2.247 574 H VAL 73 H VAL 73 -11.054 -10.853 1.749 575 HA VAL 73 HA VAL 73 -10.498 -11.957 -0.798 576 HB VAL 73 HB VAL 73 -12.562 -13.304 -0.475 577 HG11 VAL 73 HG11 VAL 73 -10.451 -14.095 0.422 578 HG12 VAL 73 HG12 VAL 73 -10.710 -13.172 1.902 579 HG13 VAL 73 HG13 VAL 73 -11.773 -14.524 1.510 580 HG21 VAL 73 HG21 VAL 73 -12.833 -11.741 2.096 581 HG22 VAL 73 HG22 VAL 73 -13.915 -11.639 0.706 582 HG23 VAL 73 HG23 VAL 73 -13.800 -13.140 1.626 583 H GLU 74 H GLU 74 -12.825 -9.616 0.358 584 HA GLU 74 HA GLU 74 -14.415 -9.528 -1.998 585 HB2 GLU 74 HB2 GLU 74 -13.995 -7.448 0.158 586 HB3 GLU 74 HB3 GLU 74 -15.238 -7.376 -1.081 587 HG2 GLU 74 HG2 GLU 74 -16.212 -9.455 -0.196 588 HG3 GLU 74 HG3 GLU 74 -14.989 -9.464 1.073 589 H LEU 75 H LEU 75 -11.744 -7.560 -0.760 590 HA LEU 75 HA LEU 75 -11.642 -5.731 -2.891 591 HB2 LEU 75 HB2 LEU 75 -9.417 -6.662 -1.072 592 HB3 LEU 75 HB3 LEU 75 -9.357 -5.242 -2.098 593 HG LEU 75 HG LEU 75 -11.253 -5.646 0.222 594 HD11 LEU 75 HD11 LEU 75 -9.939 -3.886 1.309 595 HD12 LEU 75 HD12 LEU 75 -8.962 -5.315 0.967 596 HD13 LEU 75 HD13 LEU 75 -8.820 -3.885 -0.055 597 HD21 LEU 75 HD21 LEU 75 -12.242 -4.278 -1.534 598 HD22 LEU 75 HD22 LEU 75 -11.836 -3.295 -0.127 599 HD23 LEU 75 HD23 LEU 75 -10.807 -3.253 -1.560 600 H ARG 76 H ARG 76 -9.941 -8.799 -2.366 601 HA ARG 76 HA ARG 76 -8.238 -8.655 -4.574 602 HB2 ARG 76 HB2 ARG 76 -7.973 -10.288 -2.758 603 HB3 ARG 76 HB3 ARG 76 -9.416 -11.133 -3.306 604 HG2 ARG 76 HG2 ARG 76 -8.360 -11.765 -5.345 605 HG3 ARG 76 HG3 ARG 76 -6.973 -10.728 -5.011 606 HD2 ARG 76 HD2 ARG 76 -6.360 -12.992 -4.544 607 HD3 ARG 76 HD3 ARG 76 -6.479 -12.119 -3.020 608 HE ARG 76 HE ARG 76 -8.826 -13.193 -2.974 609 HH11 ARG 76 HH11 ARG 76 -5.963 -14.649 -4.339 610 HH12 ARG 76 HH12 ARG 76 -6.426 -16.279 -3.948 611 HH21 ARG 76 HH21 ARG 76 -9.494 -15.325 -2.488 612 HH22 ARG 76 HH22 ARG 76 -8.466 -16.667 -2.915 613 H LYS 77 H LYS 77 -11.514 -9.984 -4.312 614 HA LYS 77 HA LYS 77 -11.567 -10.827 -7.056 615 HB2 LYS 77 HB2 LYS 77 -13.787 -10.520 -5.027 616 HB3 LYS 77 HB3 LYS 77 -13.994 -11.216 -6.629 617 HG2 LYS 77 HG2 LYS 77 -12.165 -12.302 -4.494 618 HG3 LYS 77 HG3 LYS 77 -13.777 -12.914 -4.863 619 HD2 LYS 77 HD2 LYS 77 -11.511 -12.800 -6.854 620 HD3 LYS 77 HD3 LYS 77 -11.921 -14.224 -5.899 621 HE2 LYS 77 HE2 LYS 77 -13.815 -12.827 -7.780 622 HE3 LYS 77 HE3 LYS 77 -12.856 -14.244 -8.203 623 HZ1 LYS 77 HZ1 LYS 77 -14.902 -14.129 -6.043 624 HZ2 LYS 77 HZ2 LYS 77 -15.109 -14.849 -7.566 625 HZ3 LYS 77 HZ3 LYS 77 -13.986 -15.490 -6.473 626 H LYS 78 H LYS 78 -12.230 -7.929 -5.339 627 HA LYS 78 HA LYS 78 -13.957 -6.709 -7.242 628 HB2 LYS 78 HB2 LYS 78 -14.038 -5.854 -5.041 629 HB3 LYS 78 HB3 LYS 78 -12.293 -5.669 -4.961 630 HG2 LYS 78 HG2 LYS 78 -13.327 -3.508 -5.144 631 HG3 LYS 78 HG3 LYS 78 -12.433 -3.852 -6.625 632 HD2 LYS 78 HD2 LYS 78 -14.549 -2.856 -7.192 633 HD3 LYS 78 HD3 LYS 78 -14.561 -4.549 -7.688 634 HE2 LYS 78 HE2 LYS 78 -15.822 -5.130 -5.677 635 HE3 LYS 78 HE3 LYS 78 -15.788 -3.442 -5.162 636 HZ1 LYS 78 HZ1 LYS 78 -17.102 -4.516 -7.601 637 HZ2 LYS 78 HZ2 LYS 78 -17.881 -3.945 -6.205 638 HZ3 LYS 78 HZ3 LYS 78 -17.011 -2.873 -7.196 639 H TYR 79 H TYR 79 -10.477 -6.392 -6.569 640 HA TYR 79 HA TYR 79 -10.194 -4.665 -8.897 641 HB2 TYR 79 HB2 TYR 79 -8.160 -5.536 -6.836 642 HB3 TYR 79 HB3 TYR 79 -7.867 -4.368 -8.122 643 HD1 TYR 79 HD1 TYR 79 -9.040 -2.171 -8.087 644 HD2 TYR 79 HD2 TYR 79 -9.330 -4.918 -4.852 645 HE1 TYR 79 HE1 TYR 79 -9.903 -0.380 -6.646 646 HE2 TYR 79 HE2 TYR 79 -10.189 -3.131 -3.404 647 HH TYR 79 HH TYR 79 -10.154 -0.694 -3.268 648 H GLY 80 H GLY 80 -10.113 -7.923 -8.264 649 HA2 GLY 80 HA2 GLY 80 -9.497 -9.748 -9.502 650 HA3 GLY 80 HA3 GLY 80 -9.461 -8.652 -10.875 651 H VAL 81 H VAL 81 -7.482 -8.818 -7.942 652 HA VAL 81 HA VAL 81 -5.132 -8.254 -9.463 653 HB VAL 81 HB VAL 81 -5.270 -7.339 -7.246 654 HG11 VAL 81 HG11 VAL 81 -6.680 -9.013 -6.186 655 HG12 VAL 81 HG12 VAL 81 -5.358 -10.178 -6.236 656 HG13 VAL 81 HG13 VAL 81 -5.221 -8.734 -5.234 657 HG21 VAL 81 HG21 VAL 81 -3.157 -9.482 -7.389 658 HG22 VAL 81 HG22 VAL 81 -3.045 -7.854 -8.058 659 HG23 VAL 81 HG23 VAL 81 -3.126 -8.087 -6.311 660 H HIS 82 H HIS 82 -3.969 -9.622 -10.537 661 HA HIS 82 HA HIS 82 -3.919 -12.459 -9.718 662 HB2 HIS 82 HB2 HIS 82 -3.103 -11.298 -12.394 663 HB3 HIS 82 HB3 HIS 82 -3.300 -13.000 -11.991 664 HD1 HIS 82 HD1 HIS 82 -4.948 -10.526 -13.819 665 HD2 HIS 82 HD2 HIS 82 -6.238 -13.330 -11.032 666 HE1 HIS 82 HE1 HIS 82 -7.420 -10.781 -14.207 667 HE2 HIS 82 HE2 HIS 82 -8.132 -12.632 -12.653 668 H ALA 83 H ALA 83 -2.321 -9.832 -9.075 669 HA ALA 83 HA ALA 83 0.375 -10.852 -9.601 670 HB1 ALA 83 HB1 ALA 83 -0.515 -8.107 -8.718 671 HB2 ALA 83 HB2 ALA 83 1.143 -8.592 -9.079 672 HB3 ALA 83 HB3 ALA 83 -0.070 -8.577 -10.359 673 H TYR 84 H TYR 84 1.905 -9.939 -7.718 674 HA TYR 84 HA TYR 84 0.939 -11.335 -5.344 675 HB2 TYR 84 HB2 TYR 84 3.754 -10.406 -5.903 676 HB3 TYR 84 HB3 TYR 84 3.230 -11.587 -4.704 677 HD1 TYR 84 HD1 TYR 84 2.160 -13.749 -5.562 678 HD2 TYR 84 HD2 TYR 84 4.367 -11.105 -8.059 679 HE1 TYR 84 HE1 TYR 84 2.460 -15.556 -7.202 680 HE2 TYR 84 HE2 TYR 84 4.667 -12.903 -9.710 681 HH TYR 84 HH TYR 84 2.914 -15.836 -9.570 682 HA PRO 85 HA PRO 85 1.963 -7.150 -3.428 683 HB2 PRO 85 HB2 PRO 85 3.251 -5.292 -5.143 684 HB3 PRO 85 HB3 PRO 85 3.984 -6.200 -3.821 685 HG2 PRO 85 HG2 PRO 85 4.575 -6.508 -6.525 686 HG3 PRO 85 HG3 PRO 85 4.966 -7.667 -5.244 687 HD2 PRO 85 HD2 PRO 85 2.695 -7.677 -7.188 688 HD3 PRO 85 HD3 PRO 85 3.640 -9.040 -6.545 689 H THR 86 H THR 86 0.187 -5.863 -3.193 690 HA THR 86 HA THR 86 -0.939 -4.662 -5.636 691 HB THR 86 HB THR 86 -2.650 -5.597 -3.343 692 HG1 THR 86 HG1 THR 86 -1.509 -7.403 -4.253 693 HG21 THR 86 HG21 THR 86 -4.411 -5.564 -5.056 694 HG22 THR 86 HG22 THR 86 -3.645 -3.985 -4.888 695 HG23 THR 86 HG23 THR 86 -3.232 -5.025 -6.251 696 H LEU 87 H LEU 87 -0.413 -2.567 -5.401 697 HA LEU 87 HA LEU 87 -0.838 -1.262 -2.816 698 HB2 LEU 87 HB2 LEU 87 0.356 -0.176 -5.372 699 HB3 LEU 87 HB3 LEU 87 0.272 0.673 -3.840 700 HG LEU 87 HG LEU 87 1.897 -1.805 -4.426 701 HD11 LEU 87 HD11 LEU 87 2.847 0.207 -5.387 702 HD12 LEU 87 HD12 LEU 87 2.704 1.039 -3.838 703 HD13 LEU 87 HD13 LEU 87 3.810 -0.324 -4.008 704 HD21 LEU 87 HD21 LEU 87 1.056 -1.890 -2.154 705 HD22 LEU 87 HD22 LEU 87 2.780 -1.519 -2.147 706 HD23 LEU 87 HD23 LEU 87 1.602 -0.238 -1.865 707 H LEU 88 H LEU 88 -2.364 0.319 -2.513 708 HA LEU 88 HA LEU 88 -4.284 0.717 -4.706 709 HB2 LEU 88 HB2 LEU 88 -4.880 -1.201 -3.152 710 HB3 LEU 88 HB3 LEU 88 -5.098 0.004 -1.899 711 HG LEU 88 HG LEU 88 -6.859 1.069 -3.270 712 HD11 LEU 88 HD11 LEU 88 -6.046 0.326 -5.461 713 HD12 LEU 88 HD12 LEU 88 -6.472 -1.336 -5.049 714 HD13 LEU 88 HD13 LEU 88 -7.735 -0.114 -5.208 715 HD21 LEU 88 HD21 LEU 88 -8.539 -0.667 -2.903 716 HD22 LEU 88 HD22 LEU 88 -7.264 -1.870 -2.712 717 HD23 LEU 88 HD23 LEU 88 -7.426 -0.563 -1.539 718 H PHE 89 H PHE 89 -4.916 2.744 -4.902 719 HA PHE 89 HA PHE 89 -4.456 4.586 -2.655 720 HB2 PHE 89 HB2 PHE 89 -4.617 5.168 -5.622 721 HB3 PHE 89 HB3 PHE 89 -4.364 6.372 -4.365 722 HD1 PHE 89 HD1 PHE 89 -2.877 3.437 -6.034 723 HD2 PHE 89 HD2 PHE 89 -2.218 6.768 -3.470 724 HE1 PHE 89 HE1 PHE 89 -0.446 3.080 -6.203 725 HE2 PHE 89 HE2 PHE 89 0.212 6.420 -3.637 726 HZ PHE 89 HZ PHE 89 1.098 4.574 -5.002 727 H ILE 90 H ILE 90 -6.308 4.850 -1.574 728 HA ILE 90 HA ILE 90 -8.795 5.153 -3.130 729 HB ILE 90 HB ILE 90 -8.503 4.274 -0.251 730 HG12 ILE 90 HG12 ILE 90 -9.234 2.677 -2.719 731 HG13 ILE 90 HG13 ILE 90 -7.719 2.561 -1.829 732 HG21 ILE 90 HG21 ILE 90 -10.576 5.484 -0.630 733 HG22 ILE 90 HG22 ILE 90 -10.946 4.455 -2.015 734 HG23 ILE 90 HG23 ILE 90 -10.905 3.767 -0.393 735 HD11 ILE 90 HD11 ILE 90 -9.222 0.727 -1.288 736 HD12 ILE 90 HD12 ILE 90 -8.921 1.741 0.123 737 HD13 ILE 90 HD13 ILE 90 -10.446 1.880 -0.751 738 H ASN 91 H ASN 91 -9.910 7.024 -2.960 739 HA ASN 91 HA ASN 91 -8.750 9.165 -1.410 740 HB2 ASN 91 HB2 ASN 91 -10.535 10.572 -2.396 741 HB3 ASN 91 HB3 ASN 91 -9.608 9.711 -3.617 742 HD21 ASN 91 HD21 ASN 91 -11.242 9.935 -5.117 743 HD22 ASN 91 HD22 ASN 91 -12.708 9.023 -5.038 744 H SER 92 H SER 92 -10.408 10.624 -0.179 745 HA SER 92 HA SER 92 -11.303 9.042 2.022 746 HB2 SER 92 HB2 SER 92 -11.721 11.997 1.512 747 HB3 SER 92 HB3 SER 92 -11.853 11.165 3.063 748 HG SER 92 HG SER 92 -9.628 10.630 2.878 749 H SER 93 H SER 93 -12.739 9.599 -0.869 750 HA SER 93 HA SER 93 -15.459 9.877 0.099 751 HB2 SER 93 HB2 SER 93 -14.740 10.987 -2.004 752 HB3 SER 93 HB3 SER 93 -14.434 9.406 -2.717 753 HG SER 93 HG SER 93 -16.946 9.605 -1.650 754 H GLY 94 H GLY 94 -13.265 7.404 -1.049 755 HA2 GLY 94 HA2 GLY 94 -13.682 5.141 -0.201 756 HA3 GLY 94 HA3 GLY 94 -15.386 5.410 -0.546 757 H GLU 95 H GLU 95 -13.304 6.691 -2.903 758 HA GLU 95 HA GLU 95 -13.791 4.353 -4.632 759 HB2 GLU 95 HB2 GLU 95 -13.514 7.274 -5.371 760 HB3 GLU 95 HB3 GLU 95 -13.626 5.962 -6.534 761 HG2 GLU 95 HG2 GLU 95 -15.846 5.390 -5.622 762 HG3 GLU 95 HG3 GLU 95 -15.733 6.787 -4.552 763 H VAL 96 H VAL 96 -12.130 3.649 -5.991 764 HA VAL 96 HA VAL 96 -9.461 4.296 -5.056 765 HB VAL 96 HB VAL 96 -9.965 1.945 -5.387 766 HG11 VAL 96 HG11 VAL 96 -10.506 2.677 -8.260 767 HG12 VAL 96 HG12 VAL 96 -10.364 1.030 -7.647 768 HG13 VAL 96 HG13 VAL 96 -11.671 2.070 -7.082 769 HG21 VAL 96 HG21 VAL 96 -7.671 2.666 -5.772 770 HG22 VAL 96 HG22 VAL 96 -8.088 1.315 -6.826 771 HG23 VAL 96 HG23 VAL 96 -8.034 2.955 -7.474 772 H VAL 97 H VAL 97 -8.055 5.565 -6.069 773 HA VAL 97 HA VAL 97 -8.884 6.805 -8.583 774 HB VAL 97 HB VAL 97 -6.532 7.506 -6.815 775 HG11 VAL 97 HG11 VAL 97 -6.564 9.639 -8.045 776 HG12 VAL 97 HG12 VAL 97 -6.231 8.262 -9.096 777 HG13 VAL 97 HG13 VAL 97 -7.834 8.999 -9.088 778 HG21 VAL 97 HG21 VAL 97 -9.278 8.749 -6.955 779 HG22 VAL 97 HG22 VAL 97 -8.626 7.811 -5.611 780 HG23 VAL 97 HG23 VAL 97 -7.919 9.373 -6.021 781 H TYR 98 H TYR 98 -6.192 4.971 -7.200 782 HA TYR 98 HA TYR 98 -5.463 4.109 -9.885 783 HB2 TYR 98 HB2 TYR 98 -4.031 6.063 -9.431 784 HB3 TYR 98 HB3 TYR 98 -3.467 5.303 -7.948 785 HD1 TYR 98 HD1 TYR 98 -3.523 4.877 -11.644 786 HD2 TYR 98 HD2 TYR 98 -1.615 3.865 -7.983 787 HE1 TYR 98 HE1 TYR 98 -1.694 3.813 -12.901 788 HE2 TYR 98 HE2 TYR 98 0.220 2.801 -9.225 789 HH TYR 98 HH TYR 98 0.757 3.264 -12.491 790 H ARG 99 H ARG 99 -4.816 2.042 -9.977 791 HA ARG 99 HA ARG 99 -4.246 0.655 -7.436 792 HB2 ARG 99 HB2 ARG 99 -5.173 -1.382 -8.439 793 HB3 ARG 99 HB3 ARG 99 -6.375 -0.098 -8.442 794 HG2 ARG 99 HG2 ARG 99 -6.020 0.316 -10.768 795 HG3 ARG 99 HG3 ARG 99 -4.657 -0.799 -10.806 796 HD2 ARG 99 HD2 ARG 99 -6.276 -2.615 -10.147 797 HD3 ARG 99 HD3 ARG 99 -7.571 -1.450 -10.435 798 HE ARG 99 HE ARG 99 -5.874 -1.524 -12.679 799 HH11 ARG 99 HH11 ARG 99 -8.251 -3.521 -11.050 800 HH12 ARG 99 HH12 ARG 99 -8.719 -4.367 -12.494 801 HH21 ARG 99 HH21 ARG 99 -6.479 -2.641 -14.579 802 HH22 ARG 99 HH22 ARG 99 -7.712 -3.866 -14.493 803 H LEU 100 H LEU 100 -2.363 -0.491 -7.337 804 HA LEU 100 HA LEU 100 -0.851 -0.764 -9.851 805 HB2 LEU 100 HB2 LEU 100 0.059 1.073 -8.493 806 HB3 LEU 100 HB3 LEU 100 0.265 -0.035 -7.142 807 HG LEU 100 HG LEU 100 1.907 -1.321 -8.459 808 HD11 LEU 100 HD11 LEU 100 2.784 -0.386 -10.544 809 HD12 LEU 100 HD12 LEU 100 1.086 -0.835 -10.693 810 HD13 LEU 100 HD13 LEU 100 1.536 0.860 -10.505 811 HD21 LEU 100 HD21 LEU 100 2.499 1.627 -8.254 812 HD22 LEU 100 HD22 LEU 100 2.668 0.437 -6.961 813 HD23 LEU 100 HD23 LEU 100 3.699 0.342 -8.387 814 H VAL 101 H VAL 101 -0.910 -2.855 -10.279 815 HA VAL 101 HA VAL 101 -0.463 -4.770 -8.101 816 HB VAL 101 HB VAL 101 -1.163 -6.505 -9.794 817 HG11 VAL 101 HG11 VAL 101 -3.568 -5.949 -9.645 818 HG12 VAL 101 HG12 VAL 101 -2.716 -5.735 -8.116 819 HG13 VAL 101 HG13 VAL 101 -3.131 -4.330 -9.097 820 HG21 VAL 101 HG21 VAL 101 -0.724 -5.263 -11.840 821 HG22 VAL 101 HG22 VAL 101 -2.424 -5.730 -11.763 822 HG23 VAL 101 HG23 VAL 101 -1.947 -4.071 -11.400 823 H GLY 102 H GLY 102 1.461 -5.673 -7.880 824 HA2 GLY 102 HA2 GLY 102 3.458 -6.696 -8.667 825 HA3 GLY 102 HA3 GLY 102 3.240 -5.875 -10.209 826 H ALA 103 H ALA 103 5.613 -5.944 -8.513 827 HA ALA 103 HA ALA 103 6.051 -3.083 -8.314 828 HB1 ALA 103 HB1 ALA 103 6.354 -4.820 -5.869 829 HB2 ALA 103 HB2 ALA 103 6.758 -3.108 -5.990 830 HB3 ALA 103 HB3 ALA 103 5.078 -3.631 -6.128 831 H GLU 104 H GLU 104 8.137 -2.519 -8.600 832 HA GLU 104 HA GLU 104 10.106 -4.677 -8.858 833 HB2 GLU 104 HB2 GLU 104 10.132 -1.819 -9.862 834 HB3 GLU 104 HB3 GLU 104 11.476 -2.939 -10.048 835 HG2 GLU 104 HG2 GLU 104 9.893 -4.463 -11.272 836 HG3 GLU 104 HG3 GLU 104 8.727 -3.142 -11.251 837 H ASP 105 H ASP 105 12.477 -3.422 -8.379 838 HA ASP 105 HA ASP 105 12.612 -3.449 -5.575 839 HB2 ASP 105 HB2 ASP 105 14.562 -2.492 -7.657 840 HB3 ASP 105 HB3 ASP 105 14.926 -2.388 -5.939 841 H ALA 106 H ALA 106 13.808 -1.583 -4.370 842 HA ALA 106 HA ALA 106 11.785 0.085 -3.639 843 HB1 ALA 106 HB1 ALA 106 13.774 -0.434 -2.287 844 HB2 ALA 106 HB2 ALA 106 14.694 0.723 -3.246 845 HB3 ALA 106 HB3 ALA 106 13.336 1.274 -2.269 846 HA PRO 107 HA PRO 107 13.681 3.965 -5.822 847 HB2 PRO 107 HB2 PRO 107 15.175 2.812 -8.096 848 HB3 PRO 107 HB3 PRO 107 15.626 4.127 -7.005 849 HG2 PRO 107 HG2 PRO 107 16.811 1.738 -6.845 850 HG3 PRO 107 HG3 PRO 107 16.442 2.681 -5.388 851 HD2 PRO 107 HD2 PRO 107 14.985 0.336 -6.549 852 HD3 PRO 107 HD3 PRO 107 15.370 0.696 -4.856 853 H GLU 108 H GLU 108 13.185 1.213 -8.003 854 HA GLU 108 HA GLU 108 11.872 2.772 -9.993 855 HB2 GLU 108 HB2 GLU 108 11.908 -0.230 -9.643 856 HB3 GLU 108 HB3 GLU 108 11.511 0.653 -11.110 857 HG2 GLU 108 HG2 GLU 108 13.811 1.593 -11.095 858 HG3 GLU 108 HG3 GLU 108 14.179 0.534 -9.736 859 H LEU 109 H LEU 109 10.845 0.754 -7.304 860 HA LEU 109 HA LEU 109 8.067 0.780 -7.825 861 HB2 LEU 109 HB2 LEU 109 9.097 -0.689 -6.159 862 HB3 LEU 109 HB3 LEU 109 9.546 0.693 -5.195 863 HG LEU 109 HG LEU 109 7.196 1.192 -4.751 864 HD11 LEU 109 HD11 LEU 109 6.249 0.338 -6.849 865 HD12 LEU 109 HD12 LEU 109 6.594 -1.311 -6.327 866 HD13 LEU 109 HD13 LEU 109 5.429 -0.329 -5.437 867 HD21 LEU 109 HD21 LEU 109 6.686 -0.802 -3.386 868 HD22 LEU 109 HD22 LEU 109 7.993 -1.663 -4.199 869 HD23 LEU 109 HD23 LEU 109 8.351 -0.252 -3.203 870 H LEU 110 H LEU 110 10.092 2.826 -5.778 871 HA LEU 110 HA LEU 110 8.166 4.609 -4.868 872 HB2 LEU 110 HB2 LEU 110 10.476 4.514 -4.035 873 HB3 LEU 110 HB3 LEU 110 11.052 5.185 -5.548 874 HG LEU 110 HG LEU 110 9.837 7.275 -5.081 875 HD11 LEU 110 HD11 LEU 110 8.030 6.382 -3.729 876 HD12 LEU 110 HD12 LEU 110 9.173 5.959 -2.455 877 HD13 LEU 110 HD13 LEU 110 8.889 7.653 -2.857 878 HD21 LEU 110 HD21 LEU 110 11.650 6.404 -2.837 879 HD22 LEU 110 HD22 LEU 110 12.175 7.031 -4.399 880 HD23 LEU 110 HD23 LEU 110 11.277 8.069 -3.288 881 H LYS 111 H LYS 111 10.161 4.801 -7.791 882 HA LYS 111 HA LYS 111 9.147 7.229 -8.774 883 HB2 LYS 111 HB2 LYS 111 11.207 6.185 -9.604 884 HB3 LYS 111 HB3 LYS 111 10.272 4.863 -10.286 885 HG2 LYS 111 HG2 LYS 111 9.178 6.411 -11.822 886 HG3 LYS 111 HG3 LYS 111 10.090 7.751 -11.124 887 HD2 LYS 111 HD2 LYS 111 12.182 6.700 -11.840 888 HD3 LYS 111 HD3 LYS 111 11.271 5.356 -12.532 889 HE2 LYS 111 HE2 LYS 111 10.177 6.885 -14.084 890 HE3 LYS 111 HE3 LYS 111 11.050 8.243 -13.377 891 HZ1 LYS 111 HZ1 LYS 111 13.129 7.212 -14.087 892 HZ2 LYS 111 HZ2 LYS 111 12.270 5.935 -14.802 893 HZ3 LYS 111 HZ3 LYS 111 12.109 7.512 -15.407 894 H LYS 112 H LYS 112 8.049 3.896 -9.140 895 HA LYS 112 HA LYS 112 6.116 4.426 -11.152 896 HB2 LYS 112 HB2 LYS 112 7.171 2.177 -10.446 897 HB3 LYS 112 HB3 LYS 112 5.924 2.151 -9.207 898 HG2 LYS 112 HG2 LYS 112 5.339 0.899 -11.257 899 HG3 LYS 112 HG3 LYS 112 4.191 2.176 -10.858 900 HD2 LYS 112 HD2 LYS 112 5.096 3.607 -12.534 901 HD3 LYS 112 HD3 LYS 112 6.460 2.523 -12.807 902 HE2 LYS 112 HE2 LYS 112 4.950 0.828 -13.688 903 HE3 LYS 112 HE3 LYS 112 3.569 1.886 -13.384 904 HZ1 LYS 112 HZ1 LYS 112 4.547 1.838 -15.728 905 HZ2 LYS 112 HZ2 LYS 112 4.225 3.352 -15.041 906 HZ3 LYS 112 HZ3 LYS 112 5.816 2.766 -15.090 907 H VAL 113 H VAL 113 6.004 4.253 -7.634 908 HA VAL 113 HA VAL 113 3.222 4.582 -7.323 909 HB VAL 113 HB VAL 113 5.476 5.390 -5.471 910 HG11 VAL 113 HG11 VAL 113 3.473 6.622 -4.891 911 HG12 VAL 113 HG12 VAL 113 2.521 5.137 -4.920 912 HG13 VAL 113 HG13 VAL 113 3.767 5.362 -3.692 913 HG21 VAL 113 HG21 VAL 113 3.722 2.938 -5.515 914 HG22 VAL 113 HG22 VAL 113 5.428 3.006 -5.957 915 HG23 VAL 113 HG23 VAL 113 4.936 3.315 -4.292 916 H LYS 114 H LYS 114 5.879 6.943 -7.368 917 HA LYS 114 HA LYS 114 4.292 9.236 -7.021 918 HB2 LYS 114 HB2 LYS 114 6.722 9.237 -6.751 919 HB3 LYS 114 HB3 LYS 114 6.914 8.974 -8.480 920 HG2 LYS 114 HG2 LYS 114 5.925 11.107 -8.967 921 HG3 LYS 114 HG3 LYS 114 5.555 11.365 -7.260 922 HD2 LYS 114 HD2 LYS 114 8.337 10.986 -8.329 923 HD3 LYS 114 HD3 LYS 114 7.585 12.565 -8.110 924 HE2 LYS 114 HE2 LYS 114 7.282 12.046 -5.710 925 HE3 LYS 114 HE3 LYS 114 8.124 10.518 -5.962 926 HZ1 LYS 114 HZ1 LYS 114 9.329 13.162 -6.550 927 HZ2 LYS 114 HZ2 LYS 114 9.536 12.351 -5.078 928 HZ3 LYS 114 HZ3 LYS 114 10.114 11.660 -6.515 929 H LEU 115 H LEU 115 5.355 7.539 -9.940 930 HA LEU 115 HA LEU 115 4.144 9.386 -11.754 931 HB2 LEU 115 HB2 LEU 115 6.051 7.807 -12.246 932 HB3 LEU 115 HB3 LEU 115 4.876 6.510 -12.285 933 HG LEU 115 HG LEU 115 3.729 7.608 -14.169 934 HD11 LEU 115 HD11 LEU 115 5.997 9.583 -14.006 935 HD12 LEU 115 HD12 LEU 115 4.833 9.472 -15.325 936 HD13 LEU 115 HD13 LEU 115 4.291 9.915 -13.705 937 HD21 LEU 115 HD21 LEU 115 5.442 5.927 -14.599 938 HD22 LEU 115 HD22 LEU 115 5.436 7.167 -15.853 939 HD23 LEU 115 HD23 LEU 115 6.679 7.183 -14.602 940 H GLY 116 H GLY 116 2.905 6.990 -9.751 941 HA2 GLY 116 HA2 GLY 116 0.617 6.287 -11.362 942 HA3 GLY 116 HA3 GLY 116 0.861 5.891 -9.666 943 H VAL 117 H VAL 117 1.448 8.809 -9.180 944 HA VAL 117 HA VAL 117 -1.357 9.706 -9.084 945 HB VAL 117 HB VAL 117 0.938 10.602 -7.327 946 HG11 VAL 117 HG11 VAL 117 -2.028 11.117 -7.132 947 HG12 VAL 117 HG12 VAL 117 -0.818 11.620 -5.952 948 HG13 VAL 117 HG13 VAL 117 -0.795 12.294 -7.582 949 HG21 VAL 117 HG21 VAL 117 -0.140 9.289 -5.554 950 HG22 VAL 117 HG22 VAL 117 -1.308 8.677 -6.726 951 HG23 VAL 117 HG23 VAL 117 0.401 8.271 -6.888 952 H GLU 118 H GLU 118 1.967 10.775 -9.585 953 HA GLU 118 HA GLU 118 2.916 12.397 -10.817 954 HB2 GLU 118 HB2 GLU 118 0.188 12.543 -12.093 955 HB3 GLU 118 HB3 GLU 118 1.583 13.456 -12.657 956 HG2 GLU 118 HG2 GLU 118 2.774 11.342 -13.053 957 HG3 GLU 118 HG3 GLU 118 1.337 10.457 -12.541 958 H SER 119 H SER 119 2.568 14.837 -11.472 959 HA SER 119 HA SER 119 1.569 16.168 -9.062 960 HB2 SER 119 HB2 SER 119 3.237 17.355 -11.289 961 HB3 SER 119 HB3 SER 119 2.979 18.012 -9.672 962 HG SER 119 HG SER 119 3.948 15.523 -9.464 963 H GLU 120 H GLU 120 1.394 16.381 -12.611 964 HA GLU 120 HA GLU 120 -0.970 18.109 -12.359 965 HB2 GLU 120 HB2 GLU 120 0.590 17.483 -14.873 966 HB3 GLU 120 HB3 GLU 120 -0.626 18.734 -14.657 967 HG2 GLU 120 HG2 GLU 120 2.129 18.641 -13.455 968 HG3 GLU 120 HG3 GLU 120 1.534 19.748 -14.691 969 H GLY 121 H GLY 121 -2.560 17.665 -14.284 970 HA2 GLY 121 HA2 GLY 121 -2.888 15.280 -15.561 971 HA3 GLY 121 HA3 GLY 121 -3.507 14.979 -13.940 Start of MODEL 8 1 H ALA 1 H ALA 1 18.505 0.244 18.227 2 HA ALA 1 HA ALA 1 19.686 1.919 16.943 3 HB1 ALA 1 HB1 ALA 1 20.434 -0.435 15.210 4 HB2 ALA 1 HB2 ALA 1 20.702 1.261 14.806 5 HB3 ALA 1 HB3 ALA 1 21.536 0.540 16.183 6 H GLN 2 H GLN 2 18.577 2.932 15.222 7 HA GLN 2 HA GLN 2 15.886 1.948 14.994 8 HB2 GLN 2 HB2 GLN 2 16.335 4.341 15.359 9 HB3 GLN 2 HB3 GLN 2 17.131 4.426 13.792 10 HG2 GLN 2 HG2 GLN 2 14.843 5.301 13.729 11 HG3 GLN 2 HG3 GLN 2 15.058 3.911 12.665 12 HE21 GLN 2 HE21 GLN 2 14.756 3.645 16.145 13 HE22 GLN 2 HE22 GLN 2 13.205 2.870 16.137 14 H ALA 3 H ALA 3 15.841 0.187 13.763 15 HA ALA 3 HA ALA 3 15.875 0.642 10.912 16 HB1 ALA 3 HB1 ALA 3 17.272 -1.284 10.383 17 HB2 ALA 3 HB2 ALA 3 18.180 -0.105 11.330 18 HB3 ALA 3 HB3 ALA 3 17.560 -1.566 12.101 19 H ASP 4 H ASP 4 13.631 0.413 11.301 20 HA ASP 4 HA ASP 4 12.795 -2.335 11.966 21 HB2 ASP 4 HB2 ASP 4 12.159 -0.655 13.684 22 HB3 ASP 4 HB3 ASP 4 11.243 0.218 12.458 23 H GLY 5 H GLY 5 12.314 0.459 9.904 24 HA2 GLY 5 HA2 GLY 5 11.923 0.237 7.590 25 HA3 GLY 5 HA3 GLY 5 11.264 -1.366 7.878 26 H ILE 6 H ILE 6 9.747 -0.272 6.263 27 HA ILE 6 HA ILE 6 7.876 1.645 7.190 28 HB ILE 6 HB ILE 6 7.350 -0.390 5.023 29 HG12 ILE 6 HG12 ILE 6 8.814 2.249 4.770 30 HG13 ILE 6 HG13 ILE 6 9.548 0.657 4.632 31 HG21 ILE 6 HG21 ILE 6 5.440 0.953 5.710 32 HG22 ILE 6 HG22 ILE 6 6.368 2.431 5.453 33 HG23 ILE 6 HG23 ILE 6 5.957 1.398 4.084 34 HD11 ILE 6 HD11 ILE 6 8.152 0.209 2.664 35 HD12 ILE 6 HD12 ILE 6 7.486 1.838 2.786 36 HD13 ILE 6 HD13 ILE 6 9.202 1.608 2.449 37 H ALA 7 H ALA 7 6.490 1.299 8.796 38 HA ALA 7 HA ALA 7 5.436 -1.397 9.213 39 HB1 ALA 7 HB1 ALA 7 4.670 -0.595 11.381 40 HB2 ALA 7 HB2 ALA 7 6.387 -0.263 11.168 41 HB3 ALA 7 HB3 ALA 7 5.210 1.035 10.984 42 H PHE 8 H PHE 8 3.884 -1.606 7.659 43 HA PHE 8 HA PHE 8 1.874 0.349 7.167 44 HB2 PHE 8 HB2 PHE 8 2.093 -2.591 6.510 45 HB3 PHE 8 HB3 PHE 8 0.688 -1.629 6.072 46 HD1 PHE 8 HD1 PHE 8 0.890 0.185 4.430 47 HD2 PHE 8 HD2 PHE 8 4.152 -2.399 5.320 48 HE1 PHE 8 HE1 PHE 8 2.018 0.905 2.365 49 HE2 PHE 8 HE2 PHE 8 5.287 -1.682 3.258 50 HZ PHE 8 HZ PHE 8 4.220 -0.028 1.779 51 H ARG 9 H ARG 9 0.382 0.897 8.572 52 HA ARG 9 HA ARG 9 -0.023 -0.521 10.988 53 HB2 ARG 9 HB2 ARG 9 -1.528 1.802 9.773 54 HB3 ARG 9 HB3 ARG 9 -1.735 1.228 11.423 55 HG2 ARG 9 HG2 ARG 9 0.455 1.871 12.027 56 HG3 ARG 9 HG3 ARG 9 0.916 2.141 10.346 57 HD2 ARG 9 HD2 ARG 9 0.537 4.248 11.520 58 HD3 ARG 9 HD3 ARG 9 -0.620 4.021 10.211 59 HE ARG 9 HE ARG 9 -1.754 3.047 12.588 60 HH11 ARG 9 HH11 ARG 9 -0.696 6.114 11.249 61 HH12 ARG 9 HH12 ARG 9 -1.943 7.028 12.042 62 HH21 ARG 9 HH21 ARG 9 -3.364 4.247 13.644 63 HH22 ARG 9 HH22 ARG 9 -3.467 5.962 13.411 64 H GLU 10 H GLU 10 -1.510 -1.970 11.557 65 HA GLU 10 HA GLU 10 -3.297 -2.999 9.556 66 HB2 GLU 10 HB2 GLU 10 -2.845 -3.770 12.441 67 HB3 GLU 10 HB3 GLU 10 -3.977 -4.590 11.379 68 HG2 GLU 10 HG2 GLU 10 -2.153 -5.952 11.236 69 HG3 GLU 10 HG3 GLU 10 -1.906 -4.901 9.846 70 H LEU 11 H LEU 11 -4.790 -1.425 9.154 71 HA LEU 11 HA LEU 11 -6.685 -0.851 11.315 72 HB2 LEU 11 HB2 LEU 11 -6.227 0.588 8.696 73 HB3 LEU 11 HB3 LEU 11 -7.420 1.020 9.895 74 HG LEU 11 HG LEU 11 -4.446 1.076 10.374 75 HD11 LEU 11 HD11 LEU 11 -5.077 2.716 8.693 76 HD12 LEU 11 HD12 LEU 11 -6.353 3.326 9.749 77 HD13 LEU 11 HD13 LEU 11 -4.661 3.507 10.215 78 HD21 LEU 11 HD21 LEU 11 -5.046 2.363 12.362 79 HD22 LEU 11 HD22 LEU 11 -6.756 2.166 11.979 80 HD23 LEU 11 HD23 LEU 11 -5.779 0.757 12.396 81 H SER 12 H SER 12 -8.911 -1.135 10.846 82 HA SER 12 HA SER 12 -9.510 -3.128 8.854 83 HB2 SER 12 HB2 SER 12 -11.424 -1.590 10.624 84 HB3 SER 12 HB3 SER 12 -11.722 -3.129 9.816 85 HG SER 12 HG SER 12 -10.000 -4.003 11.116 86 H PHE 13 H PHE 13 -11.500 -2.735 7.421 87 HA PHE 13 HA PHE 13 -10.982 -0.677 5.609 88 HB2 PHE 13 HB2 PHE 13 -12.288 -2.715 5.083 89 HB3 PHE 13 HB3 PHE 13 -13.623 -2.093 6.045 90 HD1 PHE 13 HD1 PHE 13 -11.716 -1.705 2.943 91 HD2 PHE 13 HD2 PHE 13 -15.053 -0.355 5.212 92 HE1 PHE 13 HE1 PHE 13 -12.594 -0.551 0.956 93 HE2 PHE 13 HE2 PHE 13 -15.940 0.800 3.230 94 HZ PHE 13 HZ PHE 13 -14.708 0.705 1.100 95 HA PRO 14 HA PRO 14 -14.587 1.914 7.656 96 HB2 PRO 14 HB2 PRO 14 -15.047 1.281 10.293 97 HB3 PRO 14 HB3 PRO 14 -16.051 0.740 8.946 98 HG2 PRO 14 HG2 PRO 14 -13.873 -0.717 10.389 99 HG3 PRO 14 HG3 PRO 14 -15.442 -1.319 9.821 100 HD2 PRO 14 HD2 PRO 14 -13.180 -1.827 8.477 101 HD3 PRO 14 HD3 PRO 14 -14.713 -1.520 7.632 102 H GLU 15 H GLU 15 -12.080 0.605 9.799 103 HA GLU 15 HA GLU 15 -11.567 2.883 11.309 104 HB2 GLU 15 HB2 GLU 15 -9.798 0.598 10.468 105 HB3 GLU 15 HB3 GLU 15 -9.247 1.868 11.546 106 HG2 GLU 15 HG2 GLU 15 -11.576 0.031 12.049 107 HG3 GLU 15 HG3 GLU 15 -9.967 -0.129 12.754 108 H ALA 16 H ALA 16 -9.897 1.737 8.386 109 HA ALA 16 HA ALA 16 -8.110 3.906 8.233 110 HB1 ALA 16 HB1 ALA 16 -7.590 3.100 6.009 111 HB2 ALA 16 HB2 ALA 16 -7.747 1.740 7.123 112 HB3 ALA 16 HB3 ALA 16 -9.052 2.113 5.997 113 H LEU 17 H LEU 17 -11.247 3.306 6.751 114 HA LEU 17 HA LEU 17 -11.328 5.543 5.046 115 HB2 LEU 17 HB2 LEU 17 -12.849 3.496 5.088 116 HB3 LEU 17 HB3 LEU 17 -13.701 4.272 6.402 117 HG LEU 17 HG LEU 17 -14.209 6.187 4.904 118 HD11 LEU 17 HD11 LEU 17 -12.325 5.891 3.359 119 HD12 LEU 17 HD12 LEU 17 -13.057 4.401 2.763 120 HD13 LEU 17 HD13 LEU 17 -13.869 5.945 2.509 121 HD21 LEU 17 HD21 LEU 17 -15.902 5.000 3.578 122 HD22 LEU 17 HD22 LEU 17 -15.106 3.470 3.947 123 HD23 LEU 17 HD23 LEU 17 -15.839 4.417 5.241 124 H LYS 18 H LYS 18 -12.502 5.019 8.332 125 HA LYS 18 HA LYS 18 -13.692 7.484 8.821 126 HB2 LYS 18 HB2 LYS 18 -13.837 5.529 10.325 127 HB3 LYS 18 HB3 LYS 18 -12.155 5.763 10.774 128 HG2 LYS 18 HG2 LYS 18 -13.491 6.663 12.512 129 HG3 LYS 18 HG3 LYS 18 -12.787 8.023 11.635 130 HD2 LYS 18 HD2 LYS 18 -14.876 8.330 10.412 131 HD3 LYS 18 HD3 LYS 18 -15.579 6.943 11.247 132 HE2 LYS 18 HE2 LYS 18 -14.685 9.547 12.478 133 HE3 LYS 18 HE3 LYS 18 -16.344 8.981 12.284 134 HZ1 LYS 18 HZ1 LYS 18 -14.251 7.780 14.017 135 HZ2 LYS 18 HZ2 LYS 18 -15.637 8.610 14.527 136 HZ3 LYS 18 HZ3 LYS 18 -15.783 7.105 13.764 137 H ARG 19 H ARG 19 -10.340 6.477 9.434 138 HA ARG 19 HA ARG 19 -9.458 8.927 10.490 139 HB2 ARG 19 HB2 ARG 19 -7.967 6.659 9.173 140 HB3 ARG 19 HB3 ARG 19 -7.171 8.025 9.938 141 HG2 ARG 19 HG2 ARG 19 -9.053 6.127 11.320 142 HG3 ARG 19 HG3 ARG 19 -7.292 6.064 11.407 143 HD2 ARG 19 HD2 ARG 19 -7.206 8.202 12.480 144 HD3 ARG 19 HD3 ARG 19 -8.931 8.453 12.223 145 HE ARG 19 HE ARG 19 -8.912 6.218 13.708 146 HH11 ARG 19 HH11 ARG 19 -7.224 9.261 14.094 147 HH12 ARG 19 HH12 ARG 19 -7.244 9.194 15.836 148 HH21 ARG 19 HH21 ARG 19 -8.989 6.158 15.990 149 HH22 ARG 19 HH22 ARG 19 -8.243 7.433 16.905 150 H ALA 20 H ALA 20 -9.554 7.684 7.202 151 HA ALA 20 HA ALA 20 -8.117 9.700 5.910 152 HB1 ALA 20 HB1 ALA 20 -9.303 9.067 3.904 153 HB2 ALA 20 HB2 ALA 20 -8.910 7.618 4.830 154 HB3 ALA 20 HB3 ALA 20 -10.550 8.263 4.858 155 H GLU 21 H GLU 21 -11.591 9.478 6.577 156 HA GLU 21 HA GLU 21 -12.296 11.922 5.398 157 HB2 GLU 21 HB2 GLU 21 -13.616 10.115 7.387 158 HB3 GLU 21 HB3 GLU 21 -14.344 11.661 6.970 159 HG2 GLU 21 HG2 GLU 21 -13.597 9.561 4.952 160 HG3 GLU 21 HG3 GLU 21 -15.200 9.718 5.673 161 H VAL 22 H VAL 22 -11.656 11.152 8.826 162 HA VAL 22 HA VAL 22 -12.405 13.815 9.603 163 HB VAL 22 HB VAL 22 -11.878 13.143 11.892 164 HG11 VAL 22 HG11 VAL 22 -14.062 12.598 10.964 165 HG12 VAL 22 HG12 VAL 22 -13.436 11.063 10.362 166 HG13 VAL 22 HG13 VAL 22 -13.536 11.355 12.098 167 HG21 VAL 22 HG21 VAL 22 -10.954 10.537 10.677 168 HG22 VAL 22 HG22 VAL 22 -9.928 11.738 11.461 169 HG23 VAL 22 HG23 VAL 22 -11.139 10.866 12.402 170 H GLU 23 H GLU 23 -9.339 12.198 9.003 171 HA GLU 23 HA GLU 23 -7.942 14.430 10.291 172 HB2 GLU 23 HB2 GLU 23 -7.363 12.073 10.910 173 HB3 GLU 23 HB3 GLU 23 -6.743 11.854 9.280 174 HG2 GLU 23 HG2 GLU 23 -4.949 13.269 9.627 175 HG3 GLU 23 HG3 GLU 23 -5.727 14.082 10.986 176 H ASP 24 H ASP 24 -8.613 13.086 7.194 177 HA ASP 24 HA ASP 24 -8.236 13.812 5.087 178 HB2 ASP 24 HB2 ASP 24 -8.904 16.014 5.897 179 HB3 ASP 24 HB3 ASP 24 -7.262 16.332 6.446 180 H LYS 25 H LYS 25 -6.740 12.277 4.631 181 HA LYS 25 HA LYS 25 -4.302 13.165 3.602 182 HB2 LYS 25 HB2 LYS 25 -3.668 13.131 6.057 183 HB3 LYS 25 HB3 LYS 25 -3.921 11.386 6.024 184 HG2 LYS 25 HG2 LYS 25 -2.133 11.070 4.495 185 HG3 LYS 25 HG3 LYS 25 -2.000 12.803 4.193 186 HD2 LYS 25 HD2 LYS 25 -0.215 12.210 5.640 187 HD3 LYS 25 HD3 LYS 25 -1.401 13.077 6.614 188 HE2 LYS 25 HE2 LYS 25 -2.288 10.901 7.391 189 HE3 LYS 25 HE3 LYS 25 -1.008 10.092 6.488 190 HZ1 LYS 25 HZ1 LYS 25 -0.307 10.279 8.732 191 HZ2 LYS 25 HZ2 LYS 25 0.601 11.404 7.842 192 HZ3 LYS 25 HZ3 LYS 25 -0.700 11.924 8.800 193 H LEU 26 H LEU 26 -3.978 11.873 1.924 194 HA LEU 26 HA LEU 26 -5.803 9.791 1.414 195 HB2 LEU 26 HB2 LEU 26 -3.256 10.464 -0.055 196 HB3 LEU 26 HB3 LEU 26 -4.565 9.473 -0.673 197 HG LEU 26 HG LEU 26 -4.695 12.426 -0.046 198 HD11 LEU 26 HD11 LEU 26 -5.071 12.656 -2.447 199 HD12 LEU 26 HD12 LEU 26 -3.513 11.905 -2.106 200 HD13 LEU 26 HD13 LEU 26 -4.867 10.915 -2.648 201 HD21 LEU 26 HD21 LEU 26 -6.846 10.614 -1.119 202 HD22 LEU 26 HD22 LEU 26 -6.799 11.289 0.509 203 HD23 LEU 26 HD23 LEU 26 -6.967 12.356 -0.886 204 H LEU 27 H LEU 27 -5.359 7.582 0.852 205 HA LEU 27 HA LEU 27 -3.537 6.422 2.834 206 HB2 LEU 27 HB2 LEU 27 -6.053 5.441 1.525 207 HB3 LEU 27 HB3 LEU 27 -4.953 4.320 2.296 208 HG LEU 27 HG LEU 27 -5.238 5.607 4.424 209 HD11 LEU 27 HD11 LEU 27 -5.988 7.720 3.419 210 HD12 LEU 27 HD12 LEU 27 -7.493 6.934 2.939 211 HD13 LEU 27 HD13 LEU 27 -7.100 7.116 4.649 212 HD21 LEU 27 HD21 LEU 27 -6.447 3.534 3.977 213 HD22 LEU 27 HD22 LEU 27 -7.426 4.657 4.921 214 HD23 LEU 27 HD23 LEU 27 -7.735 4.450 3.196 215 H PHE 28 H PHE 28 -2.013 4.945 2.330 216 HA PHE 28 HA PHE 28 -1.951 3.930 -0.429 217 HB2 PHE 28 HB2 PHE 28 -0.005 5.374 -0.113 218 HB3 PHE 28 HB3 PHE 28 0.420 4.517 1.369 219 HD1 PHE 28 HD1 PHE 28 -0.296 3.738 -2.214 220 HD2 PHE 28 HD2 PHE 28 2.088 2.948 1.222 221 HE1 PHE 28 HE1 PHE 28 1.046 2.137 -3.515 222 HE2 PHE 28 HE2 PHE 28 3.437 1.350 -0.073 223 HZ PHE 28 HZ PHE 28 2.910 0.938 -2.442 224 H VAL 29 H VAL 29 -2.661 1.925 -0.362 225 HA VAL 29 HA VAL 29 -2.304 0.398 2.123 226 HB VAL 29 HB VAL 29 -4.288 -0.104 -0.096 227 HG11 VAL 29 HG11 VAL 29 -4.149 -1.140 2.731 228 HG12 VAL 29 HG12 VAL 29 -5.436 -1.474 1.571 229 HG13 VAL 29 HG13 VAL 29 -3.799 -2.060 1.267 230 HG21 VAL 29 HG21 VAL 29 -4.699 2.077 0.908 231 HG22 VAL 29 HG22 VAL 29 -5.958 0.928 1.360 232 HG23 VAL 29 HG23 VAL 29 -4.694 1.349 2.516 233 H ASP 30 H ASP 30 -1.012 -1.290 2.146 234 HA ASP 30 HA ASP 30 -0.164 -2.509 -0.385 235 HB2 ASP 30 HB2 ASP 30 1.678 -1.936 1.054 236 HB3 ASP 30 HB3 ASP 30 0.913 -2.716 2.434 237 H CYS 31 H CYS 31 -1.401 -4.120 -1.043 238 HA CYS 31 HA CYS 31 -2.378 -6.031 0.972 239 HB2 CYS 31 HB2 CYS 31 -3.737 -5.208 -1.606 240 HB3 CYS 31 HB3 CYS 31 -4.309 -6.465 -0.513 241 HG CYS 31 HG CYS 31 -3.914 -3.830 1.309 242 H PHE 32 H PHE 32 -1.275 -7.849 0.795 243 HA PHE 32 HA PHE 32 -0.437 -8.681 -1.894 244 HB2 PHE 32 HB2 PHE 32 1.689 -9.468 -0.960 245 HB3 PHE 32 HB3 PHE 32 1.483 -7.739 -0.710 246 HD1 PHE 32 HD1 PHE 32 0.991 -6.861 1.541 247 HD2 PHE 32 HD2 PHE 32 1.830 -10.981 0.881 248 HE1 PHE 32 HE1 PHE 32 1.411 -7.158 3.947 249 HE2 PHE 32 HE2 PHE 32 2.251 -11.285 3.287 250 HZ PHE 32 HZ PHE 32 2.043 -9.372 4.822 251 H THR 33 H THR 33 0.118 -10.945 -2.060 252 HA THR 33 HA THR 33 -1.563 -12.653 -0.375 253 HB THR 33 HB THR 33 -0.099 -13.221 -2.972 254 HG1 THR 33 HG1 THR 33 -2.027 -11.720 -2.864 255 HG21 THR 33 HG21 THR 33 -0.462 -15.254 -1.619 256 HG22 THR 33 HG22 THR 33 -2.190 -14.892 -1.566 257 HG23 THR 33 HG23 THR 33 -1.409 -15.259 -3.105 258 H THR 34 H THR 34 -0.647 -14.513 0.667 259 HA THR 34 HA THR 34 1.701 -14.334 2.008 260 HB THR 34 HB THR 34 0.552 -16.923 0.945 261 HG1 THR 34 HG1 THR 34 0.030 -15.781 3.495 262 HG21 THR 34 HG21 THR 34 2.256 -16.359 3.376 263 HG22 THR 34 HG22 THR 34 1.560 -17.923 2.946 264 HG23 THR 34 HG23 THR 34 2.785 -17.187 1.911 265 H TRP 35 H TRP 35 1.299 -15.907 -1.160 266 HA TRP 35 HA TRP 35 4.147 -16.039 -1.562 267 HB2 TRP 35 HB2 TRP 35 2.834 -17.767 -2.596 268 HB3 TRP 35 HB3 TRP 35 1.788 -16.582 -3.375 269 HD1 TRP 35 HD1 TRP 35 5.620 -17.258 -3.423 270 HE1 TRP 35 HE1 TRP 35 6.420 -17.086 -5.874 271 HE3 TRP 35 HE3 TRP 35 1.148 -16.200 -5.639 272 HZ2 TRP 35 HZ2 TRP 35 5.273 -16.579 -8.398 273 HZ3 TRP 35 HZ3 TRP 35 1.080 -15.894 -8.079 274 HH2 TRP 35 HH2 TRP 35 3.106 -16.080 -9.431 275 H CYS 36 H CYS 36 4.910 -13.959 -1.443 276 HA CYS 36 HA CYS 36 4.171 -12.245 -3.698 277 HB2 CYS 36 HB2 CYS 36 4.510 -10.264 -2.146 278 HB3 CYS 36 HB3 CYS 36 3.044 -11.206 -1.896 279 HG CYS 36 HG CYS 36 3.602 -12.152 0.488 280 H GLY 37 H GLY 37 6.004 -13.046 -4.739 281 HA2 GLY 37 HA2 GLY 37 8.594 -13.180 -3.692 282 HA3 GLY 37 HA3 GLY 37 8.202 -13.029 -5.397 283 HA PRO 38 HA PRO 38 9.641 -8.879 -5.768 284 HB2 PRO 38 HB2 PRO 38 7.320 -7.373 -6.163 285 HB3 PRO 38 HB3 PRO 38 8.287 -8.144 -7.420 286 HG2 PRO 38 HG2 PRO 38 5.772 -9.069 -6.120 287 HG3 PRO 38 HG3 PRO 38 6.318 -9.276 -7.795 288 HD2 PRO 38 HD2 PRO 38 6.408 -11.293 -6.031 289 HD3 PRO 38 HD3 PRO 38 7.669 -11.082 -7.264 290 H CYS 39 H CYS 39 6.751 -9.118 -3.706 291 HA CYS 39 HA CYS 39 7.200 -6.719 -2.291 292 HB2 CYS 39 HB2 CYS 39 5.026 -7.843 -2.263 293 HB3 CYS 39 HB3 CYS 39 5.730 -9.212 -1.411 294 HG CYS 39 HG CYS 39 4.380 -6.520 -0.157 295 H LYS 40 H LYS 40 7.998 -10.107 -1.477 296 HA LYS 40 HA LYS 40 9.356 -9.434 0.916 297 HB2 LYS 40 HB2 LYS 40 9.477 -11.896 -0.827 298 HB3 LYS 40 HB3 LYS 40 10.362 -11.748 0.687 299 HG2 LYS 40 HG2 LYS 40 7.373 -11.682 0.319 300 HG3 LYS 40 HG3 LYS 40 8.331 -12.946 1.100 301 HD2 LYS 40 HD2 LYS 40 9.004 -11.385 2.842 302 HD3 LYS 40 HD3 LYS 40 8.114 -10.088 2.044 303 HE2 LYS 40 HE2 LYS 40 6.029 -11.360 2.370 304 HE3 LYS 40 HE3 LYS 40 6.939 -12.593 3.242 305 HZ1 LYS 40 HZ1 LYS 40 6.594 -9.750 4.033 306 HZ2 LYS 40 HZ2 LYS 40 5.926 -11.106 4.804 307 HZ3 LYS 40 HZ3 LYS 40 7.603 -10.848 4.836 308 H ARG 41 H ARG 41 10.324 -9.564 -2.417 309 HA ARG 41 HA ARG 41 13.112 -9.465 -2.070 310 HB2 ARG 41 HB2 ARG 41 11.937 -9.873 -4.236 311 HB3 ARG 41 HB3 ARG 41 11.502 -8.181 -4.271 312 HG2 ARG 41 HG2 ARG 41 13.391 -8.513 -5.685 313 HG3 ARG 41 HG3 ARG 41 13.899 -7.594 -4.262 314 HD2 ARG 41 HD2 ARG 41 14.640 -9.697 -3.228 315 HD3 ARG 41 HD3 ARG 41 14.229 -10.542 -4.715 316 HE ARG 41 HE ARG 41 16.051 -8.354 -5.114 317 HH11 ARG 41 HH11 ARG 41 15.765 -11.750 -4.321 318 HH12 ARG 41 HH12 ARG 41 17.409 -12.129 -4.750 319 HH21 ARG 41 HH21 ARG 41 18.221 -8.833 -5.679 320 HH22 ARG 41 HH22 ARG 41 18.807 -10.464 -5.525 321 H LEU 42 H LEU 42 10.702 -6.857 -2.347 322 HA LEU 42 HA LEU 42 12.719 -4.857 -1.910 323 HB2 LEU 42 HB2 LEU 42 10.824 -3.260 -1.867 324 HB3 LEU 42 HB3 LEU 42 10.930 -4.222 -3.324 325 HG LEU 42 HG LEU 42 9.135 -5.711 -2.109 326 HD11 LEU 42 HD11 LEU 42 8.770 -3.035 -0.773 327 HD12 LEU 42 HD12 LEU 42 7.593 -4.348 -0.767 328 HD13 LEU 42 HD13 LEU 42 9.158 -4.564 0.020 329 HD21 LEU 42 HD21 LEU 42 7.376 -4.292 -3.120 330 HD22 LEU 42 HD22 LEU 42 8.590 -3.042 -3.387 331 HD23 LEU 42 HD23 LEU 42 8.739 -4.603 -4.195 332 H SER 43 H SER 43 10.724 -6.782 0.090 333 HA SER 43 HA SER 43 10.464 -5.176 2.355 334 HB2 SER 43 HB2 SER 43 10.790 -8.176 2.158 335 HB3 SER 43 HB3 SER 43 10.315 -7.322 3.627 336 HG SER 43 HG SER 43 8.911 -7.052 1.176 337 H LYS 44 H LYS 44 13.258 -6.904 1.149 338 HA LYS 44 HA LYS 44 14.690 -6.676 3.632 339 HB2 LYS 44 HB2 LYS 44 15.155 -8.515 2.058 340 HB3 LYS 44 HB3 LYS 44 15.738 -7.350 0.877 341 HG2 LYS 44 HG2 LYS 44 17.541 -6.709 2.372 342 HG3 LYS 44 HG3 LYS 44 16.941 -7.824 3.596 343 HD2 LYS 44 HD2 LYS 44 18.781 -8.865 2.478 344 HD3 LYS 44 HD3 LYS 44 17.303 -9.684 1.978 345 HE2 LYS 44 HE2 LYS 44 18.280 -7.426 0.319 346 HE3 LYS 44 HE3 LYS 44 19.161 -8.950 0.244 347 HZ1 LYS 44 HZ1 LYS 44 17.267 -10.078 -0.531 348 HZ2 LYS 44 HZ2 LYS 44 16.227 -8.800 -0.138 349 HZ3 LYS 44 HZ3 LYS 44 17.317 -8.635 -1.423 350 H VAL 45 H VAL 45 14.781 -4.997 0.508 351 HA VAL 45 HA VAL 45 16.921 -3.280 1.435 352 HB VAL 45 HB VAL 45 16.722 -2.303 -0.893 353 HG11 VAL 45 HG11 VAL 45 17.867 -4.202 -1.929 354 HG12 VAL 45 HG12 VAL 45 18.428 -3.932 -0.278 355 HG13 VAL 45 HG13 VAL 45 17.304 -5.245 -0.624 356 HG21 VAL 45 HG21 VAL 45 15.551 -3.638 -2.571 357 HG22 VAL 45 HG22 VAL 45 14.921 -4.685 -1.300 358 HG23 VAL 45 HG23 VAL 45 14.428 -2.993 -1.373 359 H VAL 46 H VAL 46 13.508 -2.924 0.524 360 HA VAL 46 HA VAL 46 13.625 -0.055 0.765 361 HB VAL 46 HB VAL 46 11.200 -1.850 0.528 362 HG11 VAL 46 HG11 VAL 46 10.021 0.173 -0.185 363 HG12 VAL 46 HG12 VAL 46 10.646 0.341 1.455 364 HG13 VAL 46 HG13 VAL 46 11.474 1.126 0.112 365 HG21 VAL 46 HG21 VAL 46 12.724 -0.323 -1.579 366 HG22 VAL 46 HG22 VAL 46 12.684 -2.075 -1.387 367 HG23 VAL 46 HG23 VAL 46 11.220 -1.205 -1.839 368 H PHE 47 H PHE 47 12.731 -2.747 2.816 369 HA PHE 47 HA PHE 47 11.512 -0.972 4.772 370 HB2 PHE 47 HB2 PHE 47 11.739 -3.968 4.586 371 HB3 PHE 47 HB3 PHE 47 11.140 -3.164 6.030 372 HD1 PHE 47 HD1 PHE 47 10.559 -3.015 2.341 373 HD2 PHE 47 HD2 PHE 47 8.872 -3.052 6.246 374 HE1 PHE 47 HE1 PHE 47 8.305 -2.946 1.361 375 HE2 PHE 47 HE2 PHE 47 6.614 -2.984 5.273 376 HZ PHE 47 HZ PHE 47 6.326 -2.930 2.828 377 H LYS 48 H LYS 48 14.556 -1.271 4.144 378 HA LYS 48 HA LYS 48 15.298 -1.394 6.971 379 HB2 LYS 48 HB2 LYS 48 17.604 -1.659 6.182 380 HB3 LYS 48 HB3 LYS 48 16.566 -2.982 5.713 381 HG2 LYS 48 HG2 LYS 48 17.705 -2.659 3.799 382 HG3 LYS 48 HG3 LYS 48 16.366 -1.555 3.511 383 HD2 LYS 48 HD2 LYS 48 17.710 0.328 4.200 384 HD3 LYS 48 HD3 LYS 48 19.034 -0.743 4.670 385 HE2 LYS 48 HE2 LYS 48 19.270 -1.456 2.333 386 HE3 LYS 48 HE3 LYS 48 17.963 -0.364 1.875 387 HZ1 LYS 48 HZ1 LYS 48 20.224 0.525 1.481 388 HZ2 LYS 48 HZ2 LYS 48 19.280 1.510 2.486 389 HZ3 LYS 48 HZ3 LYS 48 20.488 0.528 3.154 390 H ASP 49 H ASP 49 14.672 0.633 4.427 391 HA ASP 49 HA ASP 49 16.511 2.749 5.223 392 HB2 ASP 49 HB2 ASP 49 16.021 2.223 2.798 393 HB3 ASP 49 HB3 ASP 49 14.396 2.841 3.064 394 H SER 50 H SER 50 15.945 4.078 6.814 395 HA SER 50 HA SER 50 13.302 4.126 7.868 396 HB2 SER 50 HB2 SER 50 15.396 4.443 9.204 397 HB3 SER 50 HB3 SER 50 15.575 6.033 8.464 398 HG SER 50 HG SER 50 13.132 5.407 9.694 399 H LEU 51 H LEU 51 15.042 6.156 5.609 400 HA LEU 51 HA LEU 51 13.361 8.433 5.883 401 HB2 LEU 51 HB2 LEU 51 15.403 7.588 3.859 402 HB3 LEU 51 HB3 LEU 51 14.417 9.009 3.596 403 HG LEU 51 HG LEU 51 16.506 9.726 4.498 404 HD11 LEU 51 HD11 LEU 51 14.407 9.789 6.656 405 HD12 LEU 51 HD12 LEU 51 15.802 10.859 6.539 406 HD13 LEU 51 HD13 LEU 51 14.544 10.914 5.307 407 HD21 LEU 51 HD21 LEU 51 17.241 7.630 5.495 408 HD22 LEU 51 HD22 LEU 51 17.356 8.954 6.655 409 HD23 LEU 51 HD23 LEU 51 16.029 7.798 6.765 410 H VAL 52 H VAL 52 13.495 5.751 3.562 411 HA VAL 52 HA VAL 52 11.341 6.581 1.954 412 HB VAL 52 HB VAL 52 12.282 3.773 2.586 413 HG11 VAL 52 HG11 VAL 52 10.472 4.708 0.360 414 HG12 VAL 52 HG12 VAL 52 11.073 3.066 0.598 415 HG13 VAL 52 HG13 VAL 52 9.969 3.779 1.772 416 HG21 VAL 52 HG21 VAL 52 12.842 5.578 0.231 417 HG22 VAL 52 HG22 VAL 52 13.977 5.166 1.516 418 HG23 VAL 52 HG23 VAL 52 13.402 3.916 0.414 419 H ALA 53 H ALA 53 11.443 4.575 4.865 420 HA ALA 53 HA ALA 53 8.701 3.995 5.029 421 HB1 ALA 53 HB1 ALA 53 10.419 2.843 6.352 422 HB2 ALA 53 HB2 ALA 53 10.663 4.311 7.298 423 HB3 ALA 53 HB3 ALA 53 9.114 3.467 7.363 424 H ASP 54 H ASP 54 10.596 6.597 6.524 425 HA ASP 54 HA ASP 54 8.546 7.927 7.858 426 HB2 ASP 54 HB2 ASP 54 10.837 8.502 8.279 427 HB3 ASP 54 HB3 ASP 54 11.093 8.959 6.600 428 H TYR 55 H TYR 55 9.694 8.278 4.551 429 HA TYR 55 HA TYR 55 8.216 10.485 3.739 430 HB2 TYR 55 HB2 TYR 55 10.057 9.347 2.473 431 HB3 TYR 55 HB3 TYR 55 8.918 8.074 2.057 432 HD1 TYR 55 HD1 TYR 55 9.194 11.793 1.866 433 HD2 TYR 55 HD2 TYR 55 7.882 8.207 -0.006 434 HE1 TYR 55 HE1 TYR 55 8.533 13.081 -0.117 435 HE2 TYR 55 HE2 TYR 55 7.212 9.488 -1.998 436 HH TYR 55 HH TYR 55 6.583 11.825 -2.572 437 H PHE 56 H PHE 56 7.333 7.035 3.596 438 HA PHE 56 HA PHE 56 4.756 7.563 2.477 439 HB2 PHE 56 HB2 PHE 56 6.048 5.106 3.632 440 HB3 PHE 56 HB3 PHE 56 4.359 5.117 3.147 441 HD1 PHE 56 HD1 PHE 56 3.877 5.935 0.724 442 HD2 PHE 56 HD2 PHE 56 7.667 4.558 2.087 443 HE1 PHE 56 HE1 PHE 56 4.533 5.456 -1.597 444 HE2 PHE 56 HE2 PHE 56 8.330 4.077 -0.234 445 HZ PHE 56 HZ PHE 56 6.761 4.526 -2.078 446 H ASN 57 H ASN 57 5.971 6.870 5.717 447 HA ASN 57 HA ASN 57 3.485 6.434 6.955 448 HB2 ASN 57 HB2 ASN 57 5.650 5.808 7.960 449 HB3 ASN 57 HB3 ASN 57 6.029 7.509 8.190 450 HD21 ASN 57 HD21 ASN 57 4.173 4.814 9.279 451 HD22 ASN 57 HD22 ASN 57 3.593 5.537 10.742 452 H ARG 58 H ARG 58 5.292 9.393 6.362 453 HA ARG 58 HA ARG 58 3.508 10.955 8.009 454 HB2 ARG 58 HB2 ARG 58 6.011 11.464 6.509 455 HB3 ARG 58 HB3 ARG 58 4.939 12.837 6.741 456 HG2 ARG 58 HG2 ARG 58 6.625 12.720 8.488 457 HG3 ARG 58 HG3 ARG 58 5.005 12.503 9.148 458 HD2 ARG 58 HD2 ARG 58 5.385 10.045 9.103 459 HD3 ARG 58 HD3 ARG 58 7.047 10.356 8.603 460 HE ARG 58 HE ARG 58 6.505 11.821 10.942 461 HH11 ARG 58 HH11 ARG 58 6.937 8.506 9.893 462 HH12 ARG 58 HH12 ARG 58 7.503 7.950 11.436 463 HH21 ARG 58 HH21 ARG 58 7.276 11.097 12.975 464 HH22 ARG 58 HH22 ARG 58 7.713 9.419 13.176 465 H HIS 59 H HIS 59 4.131 10.589 4.526 466 HA HIS 59 HA HIS 59 2.279 12.744 3.959 467 HB2 HIS 59 HB2 HIS 59 3.995 11.039 2.157 468 HB3 HIS 59 HB3 HIS 59 2.895 12.277 1.557 469 HD1 HIS 59 HD1 HIS 59 3.918 14.517 1.257 470 HD2 HIS 59 HD2 HIS 59 5.982 12.225 4.054 471 HE1 HIS 59 HE1 HIS 59 5.902 15.904 1.948 472 HE2 HIS 59 HE2 HIS 59 7.058 14.559 3.742 473 H PHE 60 H PHE 60 2.087 9.335 4.204 474 HA PHE 60 HA PHE 60 -0.635 9.463 3.126 475 HB2 PHE 60 HB2 PHE 60 1.474 7.443 2.369 476 HB3 PHE 60 HB3 PHE 60 -0.243 7.104 2.200 477 HD1 PHE 60 HD1 PHE 60 -1.615 8.477 0.654 478 HD2 PHE 60 HD2 PHE 60 2.625 8.779 0.804 479 HE1 PHE 60 HE1 PHE 60 -1.621 9.565 -1.551 480 HE2 PHE 60 HE2 PHE 60 2.629 9.871 -1.403 481 HZ PHE 60 HZ PHE 60 0.504 10.264 -2.581 482 H VAL 61 H VAL 61 -1.918 7.507 3.772 483 HA VAL 61 HA VAL 61 -1.277 6.736 6.513 484 HB VAL 61 HB VAL 61 -3.735 6.110 4.862 485 HG11 VAL 61 HG11 VAL 61 -4.757 5.552 7.036 486 HG12 VAL 61 HG12 VAL 61 -3.409 4.490 6.627 487 HG13 VAL 61 HG13 VAL 61 -3.187 5.781 7.808 488 HG21 VAL 61 HG21 VAL 61 -3.506 8.503 5.241 489 HG22 VAL 61 HG22 VAL 61 -4.836 7.847 6.195 490 HG23 VAL 61 HG23 VAL 61 -3.297 8.223 6.973 491 H ASN 62 H ASN 62 -0.272 4.889 6.942 492 HA ASN 62 HA ASN 62 0.239 2.996 4.815 493 HB2 ASN 62 HB2 ASN 62 1.082 2.714 7.701 494 HB3 ASN 62 HB3 ASN 62 1.819 1.984 6.280 495 HD21 ASN 62 HD21 ASN 62 3.039 3.324 4.863 496 HD22 ASN 62 HD22 ASN 62 3.742 4.792 5.443 497 H LEU 63 H LEU 63 -1.155 1.401 4.385 498 HA LEU 63 HA LEU 63 -2.536 0.162 6.673 499 HB2 LEU 63 HB2 LEU 63 -4.123 1.530 5.453 500 HB3 LEU 63 HB3 LEU 63 -3.681 0.755 3.945 501 HG LEU 63 HG LEU 63 -4.638 -1.350 4.710 502 HD11 LEU 63 HD11 LEU 63 -4.165 -1.181 7.075 503 HD12 LEU 63 HD12 LEU 63 -5.297 0.161 7.228 504 HD13 LEU 63 HD13 LEU 63 -5.892 -1.450 6.821 505 HD21 LEU 63 HD21 LEU 63 -6.096 0.218 3.565 506 HD22 LEU 63 HD22 LEU 63 -6.992 -0.678 4.794 507 HD23 LEU 63 HD23 LEU 63 -6.497 0.989 5.101 508 H LYS 64 H LYS 64 -2.274 -1.943 6.865 509 HA LYS 64 HA LYS 64 -1.353 -3.485 4.526 510 HB2 LYS 64 HB2 LYS 64 0.311 -3.460 6.306 511 HB3 LYS 64 HB3 LYS 64 -0.892 -3.979 7.478 512 HG2 LYS 64 HG2 LYS 64 -1.090 -6.125 6.364 513 HG3 LYS 64 HG3 LYS 64 0.061 -5.609 5.128 514 HD2 LYS 64 HD2 LYS 64 1.809 -5.409 6.798 515 HD3 LYS 64 HD3 LYS 64 0.667 -5.813 8.079 516 HE2 LYS 64 HE2 LYS 64 1.360 -7.647 5.789 517 HE3 LYS 64 HE3 LYS 64 2.140 -7.701 7.368 518 HZ1 LYS 64 HZ1 LYS 64 -0.051 -8.120 8.361 519 HZ2 LYS 64 HZ2 LYS 64 -0.746 -8.173 6.814 520 HZ3 LYS 64 HZ3 LYS 64 0.397 -9.330 7.266 521 H MET 65 H MET 65 -2.685 -5.020 3.775 522 HA MET 65 HA MET 65 -4.570 -6.286 5.607 523 HB2 MET 65 HB2 MET 65 -5.797 -4.396 4.616 524 HB3 MET 65 HB3 MET 65 -5.440 -5.011 3.008 525 HG2 MET 65 HG2 MET 65 -6.883 -6.806 3.232 526 HG3 MET 65 HG3 MET 65 -6.878 -6.716 4.994 527 HE1 MET 65 HE1 MET 65 -9.101 -3.598 5.696 528 HE2 MET 65 HE2 MET 65 -8.276 -4.989 6.406 529 HE3 MET 65 HE3 MET 65 -7.342 -3.712 5.623 530 H ASP 66 H ASP 66 -4.555 -8.392 5.345 531 HA ASP 66 HA ASP 66 -3.013 -9.486 3.136 532 HB2 ASP 66 HB2 ASP 66 -4.008 -10.802 5.670 533 HB3 ASP 66 HB3 ASP 66 -2.849 -11.475 4.535 534 H MET 67 H MET 67 -3.709 -11.419 2.039 535 HA MET 67 HA MET 67 -6.456 -11.207 1.214 536 HB2 MET 67 HB2 MET 67 -4.357 -13.213 0.374 537 HB3 MET 67 HB3 MET 67 -5.887 -12.908 -0.438 538 HG2 MET 67 HG2 MET 67 -3.580 -11.001 -0.166 539 HG3 MET 67 HG3 MET 67 -4.093 -11.845 -1.625 540 HE1 MET 67 HE1 MET 67 -3.909 -9.392 -2.703 541 HE2 MET 67 HE2 MET 67 -4.926 -8.033 -2.222 542 HE3 MET 67 HE3 MET 67 -3.647 -8.602 -1.149 543 H GLU 68 H GLU 68 -5.257 -12.604 3.845 544 HA GLU 68 HA GLU 68 -7.061 -14.927 3.712 545 HB2 GLU 68 HB2 GLU 68 -5.657 -15.829 5.595 546 HB3 GLU 68 HB3 GLU 68 -4.819 -15.682 4.055 547 HG2 GLU 68 HG2 GLU 68 -3.665 -13.731 4.781 548 HG3 GLU 68 HG3 GLU 68 -4.653 -13.623 6.240 549 H LYS 69 H LYS 69 -7.215 -11.913 4.618 550 HA LYS 69 HA LYS 69 -8.270 -12.419 7.311 551 HB2 LYS 69 HB2 LYS 69 -7.541 -9.783 6.024 552 HB3 LYS 69 HB3 LYS 69 -8.080 -10.009 7.685 553 HG2 LYS 69 HG2 LYS 69 -5.507 -10.953 6.444 554 HG3 LYS 69 HG3 LYS 69 -5.721 -9.767 7.735 555 HD2 LYS 69 HD2 LYS 69 -6.496 -11.470 9.247 556 HD3 LYS 69 HD3 LYS 69 -6.497 -12.674 7.957 557 HE2 LYS 69 HE2 LYS 69 -4.029 -12.332 7.750 558 HE3 LYS 69 HE3 LYS 69 -4.112 -11.301 9.180 559 HZ1 LYS 69 HZ1 LYS 69 -4.886 -14.169 9.060 560 HZ2 LYS 69 HZ2 LYS 69 -3.477 -13.548 9.775 561 HZ3 LYS 69 HZ3 LYS 69 -4.998 -13.178 10.431 562 H GLY 70 H GLY 70 -10.188 -11.046 7.913 563 HA2 GLY 70 HA2 GLY 70 -12.308 -11.980 6.302 564 HA3 GLY 70 HA3 GLY 70 -12.462 -10.927 7.697 565 H GLU 71 H GLU 71 -10.557 -9.029 6.114 566 HA GLU 71 HA GLU 71 -12.709 -7.857 4.468 567 HB2 GLU 71 HB2 GLU 71 -10.349 -6.416 5.657 568 HB3 GLU 71 HB3 GLU 71 -11.779 -5.700 4.934 569 HG2 GLU 71 HG2 GLU 71 -13.145 -6.366 6.752 570 HG3 GLU 71 HG3 GLU 71 -11.871 -7.388 7.416 571 H GLY 72 H GLY 72 -9.873 -9.514 4.208 572 HA2 GLY 72 HA2 GLY 72 -8.449 -7.900 2.334 573 HA3 GLY 72 HA3 GLY 72 -8.099 -9.566 2.743 574 H VAL 73 H VAL 73 -10.493 -10.784 1.998 575 HA VAL 73 HA VAL 73 -9.931 -11.059 -0.774 576 HB VAL 73 HB VAL 73 -11.470 -12.826 -0.867 577 HG11 VAL 73 HG11 VAL 73 -9.528 -13.336 0.471 578 HG12 VAL 73 HG12 VAL 73 -10.341 -12.756 1.924 579 HG13 VAL 73 HG13 VAL 73 -10.933 -14.195 1.095 580 HG21 VAL 73 HG21 VAL 73 -13.439 -11.738 0.033 581 HG22 VAL 73 HG22 VAL 73 -13.174 -13.285 0.838 582 HG23 VAL 73 HG23 VAL 73 -12.748 -11.781 1.655 583 H GLU 74 H GLU 74 -12.088 -9.047 1.003 584 HA GLU 74 HA GLU 74 -14.042 -8.600 -1.006 585 HB2 GLU 74 HB2 GLU 74 -13.069 -6.668 1.113 586 HB3 GLU 74 HB3 GLU 74 -14.557 -6.522 0.193 587 HG2 GLU 74 HG2 GLU 74 -13.872 -8.575 2.270 588 HG3 GLU 74 HG3 GLU 74 -15.112 -7.324 2.347 589 H LEU 75 H LEU 75 -11.119 -6.823 -0.101 590 HA LEU 75 HA LEU 75 -11.253 -4.959 -2.223 591 HB2 LEU 75 HB2 LEU 75 -8.875 -5.862 -0.591 592 HB3 LEU 75 HB3 LEU 75 -8.912 -4.445 -1.625 593 HG LEU 75 HG LEU 75 -10.514 -4.871 0.898 594 HD11 LEU 75 HD11 LEU 75 -9.197 -2.994 1.739 595 HD12 LEU 75 HD12 LEU 75 -8.166 -4.347 1.283 596 HD13 LEU 75 HD13 LEU 75 -8.296 -2.943 0.225 597 HD21 LEU 75 HD21 LEU 75 -10.504 -2.528 -1.000 598 HD22 LEU 75 HD22 LEU 75 -11.836 -3.656 -0.751 599 HD23 LEU 75 HD23 LEU 75 -11.328 -2.589 0.559 600 H ARG 76 H ARG 76 -9.741 -8.095 -1.838 601 HA ARG 76 HA ARG 76 -8.045 -8.117 -4.041 602 HB2 ARG 76 HB2 ARG 76 -8.080 -9.839 -2.274 603 HB3 ARG 76 HB3 ARG 76 -9.618 -10.427 -2.891 604 HG2 ARG 76 HG2 ARG 76 -8.541 -11.008 -5.011 605 HG3 ARG 76 HG3 ARG 76 -6.999 -10.433 -4.374 606 HD2 ARG 76 HD2 ARG 76 -7.129 -12.844 -4.206 607 HD3 ARG 76 HD3 ARG 76 -7.116 -12.120 -2.599 608 HE ARG 76 HE ARG 76 -9.772 -12.580 -3.542 609 HH11 ARG 76 HH11 ARG 76 -6.988 -14.189 -2.157 610 HH12 ARG 76 HH12 ARG 76 -7.937 -15.402 -1.337 611 HH21 ARG 76 HH21 ARG 76 -11.017 -14.167 -2.525 612 HH22 ARG 76 HH22 ARG 76 -10.250 -15.409 -1.572 613 H LYS 77 H LYS 77 -11.444 -9.168 -3.841 614 HA LYS 77 HA LYS 77 -11.558 -9.886 -6.608 615 HB2 LYS 77 HB2 LYS 77 -12.979 -10.879 -4.763 616 HB3 LYS 77 HB3 LYS 77 -13.891 -9.375 -4.756 617 HG2 LYS 77 HG2 LYS 77 -14.411 -9.760 -7.161 618 HG3 LYS 77 HG3 LYS 77 -13.649 -11.345 -7.020 619 HD2 LYS 77 HD2 LYS 77 -15.987 -11.676 -6.752 620 HD3 LYS 77 HD3 LYS 77 -15.261 -11.837 -5.152 621 HE2 LYS 77 HE2 LYS 77 -17.259 -10.522 -4.948 622 HE3 LYS 77 HE3 LYS 77 -15.872 -9.463 -4.706 623 HZ1 LYS 77 HZ1 LYS 77 -16.104 -8.769 -7.050 624 HZ2 LYS 77 HZ2 LYS 77 -17.517 -9.696 -7.171 625 HZ3 LYS 77 HZ3 LYS 77 -17.459 -8.381 -6.109 626 H LYS 78 H LYS 78 -12.106 -7.014 -4.767 627 HA LYS 78 HA LYS 78 -13.859 -5.732 -6.616 628 HB2 LYS 78 HB2 LYS 78 -13.772 -5.224 -4.185 629 HB3 LYS 78 HB3 LYS 78 -12.183 -4.513 -4.415 630 HG2 LYS 78 HG2 LYS 78 -13.120 -2.783 -5.821 631 HG3 LYS 78 HG3 LYS 78 -14.717 -3.527 -5.712 632 HD2 LYS 78 HD2 LYS 78 -14.630 -3.197 -3.244 633 HD3 LYS 78 HD3 LYS 78 -13.114 -2.323 -3.459 634 HE2 LYS 78 HE2 LYS 78 -15.750 -1.550 -4.703 635 HE3 LYS 78 HE3 LYS 78 -15.081 -0.839 -3.237 636 HZ1 LYS 78 HZ1 LYS 78 -14.616 0.566 -5.108 637 HZ2 LYS 78 HZ2 LYS 78 -13.157 -0.103 -4.556 638 HZ3 LYS 78 HZ3 LYS 78 -13.896 -0.706 -5.962 639 H TYR 79 H TYR 79 -10.371 -5.849 -6.216 640 HA TYR 79 HA TYR 79 -10.138 -3.791 -8.312 641 HB2 TYR 79 HB2 TYR 79 -8.194 -4.417 -6.083 642 HB3 TYR 79 HB3 TYR 79 -7.946 -3.208 -7.344 643 HD1 TYR 79 HD1 TYR 79 -10.069 -1.574 -7.610 644 HD2 TYR 79 HD2 TYR 79 -8.965 -3.617 -4.049 645 HE1 TYR 79 HE1 TYR 79 -11.353 0.048 -6.291 646 HE2 TYR 79 HE2 TYR 79 -10.257 -2.002 -2.717 647 HH TYR 79 HH TYR 79 -11.152 0.238 -2.869 648 H GLY 80 H GLY 80 -10.208 -6.893 -8.292 649 HA2 GLY 80 HA2 GLY 80 -9.504 -8.401 -9.881 650 HA3 GLY 80 HA3 GLY 80 -8.625 -7.092 -10.652 651 H VAL 81 H VAL 81 -8.077 -7.929 -7.329 652 HA VAL 81 HA VAL 81 -5.308 -8.532 -7.873 653 HB VAL 81 HB VAL 81 -6.797 -8.760 -5.249 654 HG11 VAL 81 HG11 VAL 81 -4.548 -8.419 -4.273 655 HG12 VAL 81 HG12 VAL 81 -4.689 -9.912 -5.199 656 HG13 VAL 81 HG13 VAL 81 -3.864 -8.517 -5.895 657 HG21 VAL 81 HG21 VAL 81 -7.049 -6.511 -6.143 658 HG22 VAL 81 HG22 VAL 81 -5.964 -6.508 -4.752 659 HG23 VAL 81 HG23 VAL 81 -5.306 -6.397 -6.384 660 H HIS 82 H HIS 82 -4.292 -10.575 -7.464 661 HA HIS 82 HA HIS 82 -6.198 -12.811 -7.393 662 HB2 HIS 82 HB2 HIS 82 -3.903 -12.414 -9.304 663 HB3 HIS 82 HB3 HIS 82 -4.668 -13.980 -9.046 664 HD1 HIS 82 HD1 HIS 82 -4.780 -11.364 -11.377 665 HD2 HIS 82 HD2 HIS 82 -7.714 -13.517 -9.360 666 HE1 HIS 82 HE1 HIS 82 -6.898 -11.045 -12.705 667 HE2 HIS 82 HE2 HIS 82 -8.695 -12.189 -11.348 668 H ALA 83 H ALA 83 -2.620 -12.524 -7.483 669 HA ALA 83 HA ALA 83 -2.446 -13.866 -4.917 670 HB1 ALA 83 HB1 ALA 83 -2.838 -15.721 -6.474 671 HB2 ALA 83 HB2 ALA 83 -1.426 -15.231 -7.407 672 HB3 ALA 83 HB3 ALA 83 -1.232 -15.801 -5.751 673 H TYR 84 H TYR 84 -1.547 -11.343 -6.005 674 HA TYR 84 HA TYR 84 1.363 -11.701 -5.688 675 HB2 TYR 84 HB2 TYR 84 -0.068 -9.773 -7.526 676 HB3 TYR 84 HB3 TYR 84 1.661 -9.763 -7.215 677 HD1 TYR 84 HD1 TYR 84 3.091 -11.565 -8.097 678 HD2 TYR 84 HD2 TYR 84 -1.069 -11.418 -8.972 679 HE1 TYR 84 HE1 TYR 84 3.425 -13.171 -9.929 680 HE2 TYR 84 HE2 TYR 84 -0.748 -13.024 -10.804 681 HH TYR 84 HH TYR 84 2.160 -14.782 -11.226 682 HA PRO 85 HA PRO 85 0.932 -8.000 -3.061 683 HB2 PRO 85 HB2 PRO 85 3.071 -6.476 -3.729 684 HB3 PRO 85 HB3 PRO 85 3.214 -7.916 -2.714 685 HG2 PRO 85 HG2 PRO 85 3.805 -7.578 -5.623 686 HG3 PRO 85 HG3 PRO 85 4.688 -8.507 -4.399 687 HD2 PRO 85 HD2 PRO 85 2.961 -9.624 -6.208 688 HD3 PRO 85 HD3 PRO 85 3.315 -10.328 -4.618 689 H THR 86 H THR 86 -0.379 -6.277 -3.332 690 HA THR 86 HA THR 86 -0.384 -4.943 -5.957 691 HB THR 86 HB THR 86 -2.868 -5.745 -4.430 692 HG1 THR 86 HG1 THR 86 -1.601 -7.501 -5.438 693 HG21 THR 86 HG21 THR 86 -2.496 -4.611 -7.205 694 HG22 THR 86 HG22 THR 86 -4.029 -5.129 -6.505 695 HG23 THR 86 HG23 THR 86 -3.164 -3.757 -5.816 696 H LEU 87 H LEU 87 -0.435 -2.786 -5.856 697 HA LEU 87 HA LEU 87 -0.513 -1.562 -3.201 698 HB2 LEU 87 HB2 LEU 87 0.314 -0.333 -5.834 699 HB3 LEU 87 HB3 LEU 87 0.570 0.339 -4.235 700 HG LEU 87 HG LEU 87 1.874 -2.159 -5.323 701 HD11 LEU 87 HD11 LEU 87 3.927 -0.823 -5.249 702 HD12 LEU 87 HD12 LEU 87 2.737 -0.149 -6.362 703 HD13 LEU 87 HD13 LEU 87 2.984 0.591 -4.780 704 HD21 LEU 87 HD21 LEU 87 2.226 -0.749 -2.678 705 HD22 LEU 87 HD22 LEU 87 1.518 -2.343 -2.932 706 HD23 LEU 87 HD23 LEU 87 3.228 -2.076 -3.271 707 H LEU 88 H LEU 88 -2.081 -0.178 -2.580 708 HA LEU 88 HA LEU 88 -4.127 0.515 -4.594 709 HB2 LEU 88 HB2 LEU 88 -4.509 -0.214 -1.692 710 HB3 LEU 88 HB3 LEU 88 -5.774 0.430 -2.719 711 HG LEU 88 HG LEU 88 -4.342 -2.194 -3.164 712 HD11 LEU 88 HD11 LEU 88 -5.771 -2.283 -1.209 713 HD12 LEU 88 HD12 LEU 88 -7.111 -1.598 -2.127 714 HD13 LEU 88 HD13 LEU 88 -6.493 -3.199 -2.533 715 HD21 LEU 88 HD21 LEU 88 -6.081 -2.567 -4.862 716 HD22 LEU 88 HD22 LEU 88 -6.680 -0.929 -4.595 717 HD23 LEU 88 HD23 LEU 88 -5.064 -1.182 -5.250 718 H PHE 89 H PHE 89 -4.317 2.603 -4.934 719 HA PHE 89 HA PHE 89 -3.522 4.500 -2.835 720 HB2 PHE 89 HB2 PHE 89 -4.004 4.939 -5.796 721 HB3 PHE 89 HB3 PHE 89 -3.502 6.184 -4.656 722 HD1 PHE 89 HD1 PHE 89 -2.459 3.052 -6.316 723 HD2 PHE 89 HD2 PHE 89 -1.250 6.424 -4.017 724 HE1 PHE 89 HE1 PHE 89 -0.100 2.479 -6.724 725 HE2 PHE 89 HE2 PHE 89 1.108 5.857 -4.419 726 HZ PHE 89 HZ PHE 89 1.687 3.884 -5.774 727 H ILE 90 H ILE 90 -5.182 5.062 -1.576 728 HA ILE 90 HA ILE 90 -7.870 5.165 -2.779 729 HB ILE 90 HB ILE 90 -7.129 4.500 0.078 730 HG12 ILE 90 HG12 ILE 90 -8.125 2.710 -2.156 731 HG13 ILE 90 HG13 ILE 90 -6.482 2.732 -1.521 732 HG21 ILE 90 HG21 ILE 90 -9.476 3.892 0.345 733 HG22 ILE 90 HG22 ILE 90 -9.311 5.589 -0.109 734 HG23 ILE 90 HG23 ILE 90 -9.803 4.399 -1.311 735 HD11 ILE 90 HD11 ILE 90 -7.746 0.860 -0.647 736 HD12 ILE 90 HD12 ILE 90 -7.304 1.979 0.641 737 HD13 ILE 90 HD13 ILE 90 -8.952 1.965 0.013 738 H ASN 91 H ASN 91 -9.208 6.852 -2.327 739 HA ASN 91 HA ASN 91 -7.994 9.262 -1.269 740 HB2 ASN 91 HB2 ASN 91 -10.649 8.714 -2.607 741 HB3 ASN 91 HB3 ASN 91 -10.179 10.298 -2.004 742 HD21 ASN 91 HD21 ASN 91 -10.749 9.241 -4.722 743 HD22 ASN 91 HD22 ASN 91 -9.378 9.695 -5.668 744 H SER 92 H SER 92 -10.166 10.596 -0.237 745 HA SER 92 HA SER 92 -10.193 9.567 2.417 746 HB2 SER 92 HB2 SER 92 -11.875 11.820 1.316 747 HB3 SER 92 HB3 SER 92 -11.340 11.584 2.983 748 HG SER 92 HG SER 92 -10.083 13.143 1.774 749 H SER 93 H SER 93 -12.662 9.870 -0.115 750 HA SER 93 HA SER 93 -14.640 8.548 1.578 751 HB2 SER 93 HB2 SER 93 -14.921 9.572 -1.257 752 HB3 SER 93 HB3 SER 93 -16.230 9.097 -0.175 753 HG SER 93 HG SER 93 -15.500 11.466 -0.455 754 H GLY 94 H GLY 94 -12.298 7.072 0.645 755 HA2 GLY 94 HA2 GLY 94 -11.937 4.923 -0.198 756 HA3 GLY 94 HA3 GLY 94 -13.585 4.918 -0.826 757 H GLU 95 H GLU 95 -13.409 4.589 -2.981 758 HA GLU 95 HA GLU 95 -12.989 5.034 -5.170 759 HB2 GLU 95 HB2 GLU 95 -13.985 7.178 -4.511 760 HB3 GLU 95 HB3 GLU 95 -12.398 7.783 -4.070 761 HG2 GLU 95 HG2 GLU 95 -11.686 7.606 -6.402 762 HG3 GLU 95 HG3 GLU 95 -13.288 7.012 -6.839 763 H VAL 96 H VAL 96 -11.215 3.750 -5.589 764 HA VAL 96 HA VAL 96 -8.562 4.507 -4.948 765 HB VAL 96 HB VAL 96 -7.896 2.828 -6.735 766 HG11 VAL 96 HG11 VAL 96 -8.552 0.918 -5.356 767 HG12 VAL 96 HG12 VAL 96 -8.021 2.276 -4.364 768 HG13 VAL 96 HG13 VAL 96 -9.742 1.923 -4.529 769 HG21 VAL 96 HG21 VAL 96 -9.648 1.310 -7.533 770 HG22 VAL 96 HG22 VAL 96 -10.875 2.332 -6.778 771 HG23 VAL 96 HG23 VAL 96 -9.907 2.957 -8.114 772 H VAL 97 H VAL 97 -7.526 6.167 -5.696 773 HA VAL 97 HA VAL 97 -8.346 7.532 -8.084 774 HB VAL 97 HB VAL 97 -7.606 8.801 -6.141 775 HG11 VAL 97 HG11 VAL 97 -4.920 7.513 -6.586 776 HG12 VAL 97 HG12 VAL 97 -5.234 8.853 -5.483 777 HG13 VAL 97 HG13 VAL 97 -5.990 7.283 -5.199 778 HG21 VAL 97 HG21 VAL 97 -6.035 10.329 -7.241 779 HG22 VAL 97 HG22 VAL 97 -5.739 9.114 -8.486 780 HG23 VAL 97 HG23 VAL 97 -7.340 9.834 -8.320 781 H TYR 98 H TYR 98 -5.856 5.298 -7.159 782 HA TYR 98 HA TYR 98 -5.165 4.929 -9.950 783 HB2 TYR 98 HB2 TYR 98 -3.568 6.660 -9.121 784 HB3 TYR 98 HB3 TYR 98 -3.016 5.518 -7.901 785 HD1 TYR 98 HD1 TYR 98 -3.311 5.979 -11.583 786 HD2 TYR 98 HD2 TYR 98 -1.284 4.023 -8.395 787 HE1 TYR 98 HE1 TYR 98 -1.668 5.086 -13.180 788 HE2 TYR 98 HE2 TYR 98 0.364 3.125 -9.984 789 HH TYR 98 HH TYR 98 0.630 4.245 -13.194 790 H ARG 99 H ARG 99 -4.520 2.856 -10.403 791 HA ARG 99 HA ARG 99 -4.273 1.037 -8.103 792 HB2 ARG 99 HB2 ARG 99 -5.846 0.698 -10.641 793 HB3 ARG 99 HB3 ARG 99 -5.305 -0.696 -9.713 794 HG2 ARG 99 HG2 ARG 99 -6.539 0.045 -7.788 795 HG3 ARG 99 HG3 ARG 99 -6.988 1.542 -8.607 796 HD2 ARG 99 HD2 ARG 99 -7.721 -1.177 -9.662 797 HD3 ARG 99 HD3 ARG 99 -8.741 -0.284 -8.534 798 HE ARG 99 HE ARG 99 -8.195 1.450 -10.627 799 HH11 ARG 99 HH11 ARG 99 -9.738 -1.681 -10.251 800 HH12 ARG 99 HH12 ARG 99 -10.876 -1.414 -11.527 801 HH21 ARG 99 HH21 ARG 99 -9.701 1.794 -12.314 802 HH22 ARG 99 HH22 ARG 99 -10.859 0.553 -12.699 803 H LEU 100 H LEU 100 -2.822 -0.633 -8.264 804 HA LEU 100 HA LEU 100 -1.179 -0.913 -10.628 805 HB2 LEU 100 HB2 LEU 100 -0.325 1.075 -9.236 806 HB3 LEU 100 HB3 LEU 100 0.149 -0.118 -8.041 807 HG LEU 100 HG LEU 100 1.156 -0.229 -10.882 808 HD11 LEU 100 HD11 LEU 100 2.363 1.203 -8.521 809 HD12 LEU 100 HD12 LEU 100 3.169 0.917 -10.062 810 HD13 LEU 100 HD13 LEU 100 1.742 1.947 -9.994 811 HD21 LEU 100 HD21 LEU 100 1.427 -2.261 -9.553 812 HD22 LEU 100 HD22 LEU 100 2.987 -1.496 -9.859 813 HD23 LEU 100 HD23 LEU 100 2.219 -1.335 -8.280 814 H VAL 101 H VAL 101 -1.310 -3.075 -10.789 815 HA VAL 101 HA VAL 101 -1.155 -4.725 -8.385 816 HB VAL 101 HB VAL 101 -1.528 -5.591 -11.263 817 HG11 VAL 101 HG11 VAL 101 -0.623 -7.362 -9.873 818 HG12 VAL 101 HG12 VAL 101 -1.885 -7.095 -8.670 819 HG13 VAL 101 HG13 VAL 101 -2.307 -7.705 -10.270 820 HG21 VAL 101 HG21 VAL 101 -3.892 -5.874 -10.691 821 HG22 VAL 101 HG22 VAL 101 -3.584 -5.206 -9.089 822 HG23 VAL 101 HG23 VAL 101 -3.385 -4.195 -10.519 823 H GLY 102 H GLY 102 0.877 -4.963 -7.668 824 HA2 GLY 102 HA2 GLY 102 2.782 -6.557 -8.393 825 HA3 GLY 102 HA3 GLY 102 3.034 -5.325 -9.622 826 H ALA 103 H ALA 103 5.142 -5.758 -8.160 827 HA ALA 103 HA ALA 103 5.356 -3.368 -6.495 828 HB1 ALA 103 HB1 ALA 103 6.228 -6.089 -5.523 829 HB2 ALA 103 HB2 ALA 103 6.452 -4.556 -4.684 830 HB3 ALA 103 HB3 ALA 103 4.827 -5.193 -4.933 831 H GLU 104 H GLU 104 7.178 -2.315 -6.959 832 HA GLU 104 HA GLU 104 9.062 -3.609 -8.792 833 HB2 GLU 104 HB2 GLU 104 8.882 -0.669 -8.139 834 HB3 GLU 104 HB3 GLU 104 9.635 -1.419 -9.539 835 HG2 GLU 104 HG2 GLU 104 6.681 -1.454 -8.971 836 HG3 GLU 104 HG3 GLU 104 7.486 -0.291 -10.021 837 H ASP 105 H ASP 105 11.403 -2.862 -8.572 838 HA ASP 105 HA ASP 105 12.348 -3.260 -5.919 839 HB2 ASP 105 HB2 ASP 105 14.586 -2.630 -6.896 840 HB3 ASP 105 HB3 ASP 105 13.797 -3.994 -7.653 841 H ALA 106 H ALA 106 13.986 -1.659 -4.951 842 HA ALA 106 HA ALA 106 12.539 0.402 -3.907 843 HB1 ALA 106 HB1 ALA 106 14.567 1.279 -2.957 844 HB2 ALA 106 HB2 ALA 106 14.602 -0.483 -2.922 845 HB3 ALA 106 HB3 ALA 106 15.540 0.393 -4.127 846 HA PRO 107 HA PRO 107 14.578 3.719 -6.823 847 HB2 PRO 107 HB2 PRO 107 15.334 2.138 -9.198 848 HB3 PRO 107 HB3 PRO 107 16.232 3.407 -8.360 849 HG2 PRO 107 HG2 PRO 107 16.970 0.843 -8.186 850 HG3 PRO 107 HG3 PRO 107 17.112 1.943 -6.801 851 HD2 PRO 107 HD2 PRO 107 15.024 -0.137 -7.371 852 HD3 PRO 107 HD3 PRO 107 15.839 0.248 -5.843 853 H GLU 108 H GLU 108 13.245 0.954 -8.632 854 HA GLU 108 HA GLU 108 11.781 2.552 -10.462 855 HB2 GLU 108 HB2 GLU 108 12.565 0.208 -10.856 856 HB3 GLU 108 HB3 GLU 108 11.338 -0.346 -9.729 857 HG2 GLU 108 HG2 GLU 108 10.521 -0.674 -11.934 858 HG3 GLU 108 HG3 GLU 108 9.612 0.650 -11.210 859 H LEU 109 H LEU 109 11.045 1.112 -7.356 860 HA LEU 109 HA LEU 109 8.225 1.350 -7.467 861 HB2 LEU 109 HB2 LEU 109 9.572 -0.045 -5.863 862 HB3 LEU 109 HB3 LEU 109 9.961 1.424 -5.004 863 HG LEU 109 HG LEU 109 7.577 1.780 -4.513 864 HD11 LEU 109 HD11 LEU 109 5.940 0.042 -4.975 865 HD12 LEU 109 HD12 LEU 109 6.649 0.633 -6.480 866 HD13 LEU 109 HD13 LEU 109 7.167 -0.914 -5.808 867 HD21 LEU 109 HD21 LEU 109 8.948 0.601 -2.899 868 HD22 LEU 109 HD22 LEU 109 7.321 -0.082 -2.925 869 HD23 LEU 109 HD23 LEU 109 8.646 -0.927 -3.726 870 H LEU 110 H LEU 110 10.717 3.402 -5.993 871 HA LEU 110 HA LEU 110 8.985 5.396 -5.034 872 HB2 LEU 110 HB2 LEU 110 11.357 5.143 -4.354 873 HB3 LEU 110 HB3 LEU 110 11.850 5.728 -5.932 874 HG LEU 110 HG LEU 110 10.774 7.899 -5.455 875 HD11 LEU 110 HD11 LEU 110 10.276 6.717 -2.728 876 HD12 LEU 110 HD12 LEU 110 10.031 8.404 -3.181 877 HD13 LEU 110 HD13 LEU 110 9.049 7.138 -3.922 878 HD21 LEU 110 HD21 LEU 110 13.142 7.586 -4.966 879 HD22 LEU 110 HD22 LEU 110 12.391 8.673 -3.800 880 HD23 LEU 110 HD23 LEU 110 12.740 7.005 -3.350 881 H LYS 111 H LYS 111 10.589 5.000 -8.140 882 HA LYS 111 HA LYS 111 9.707 7.469 -9.238 883 HB2 LYS 111 HB2 LYS 111 11.614 6.155 -10.132 884 HB3 LYS 111 HB3 LYS 111 10.487 4.914 -10.658 885 HG2 LYS 111 HG2 LYS 111 9.506 6.361 -12.261 886 HG3 LYS 111 HG3 LYS 111 10.363 7.761 -11.613 887 HD2 LYS 111 HD2 LYS 111 11.653 5.367 -12.925 888 HD3 LYS 111 HD3 LYS 111 11.380 6.933 -13.693 889 HE2 LYS 111 HE2 LYS 111 13.112 6.405 -11.278 890 HE3 LYS 111 HE3 LYS 111 13.681 6.739 -12.913 891 HZ1 LYS 111 HZ1 LYS 111 12.136 8.601 -11.186 892 HZ2 LYS 111 HZ2 LYS 111 13.787 8.719 -11.556 893 HZ3 LYS 111 HZ3 LYS 111 12.630 8.924 -12.778 894 H LYS 112 H LYS 112 8.393 4.242 -9.031 895 HA LYS 112 HA LYS 112 6.320 4.468 -10.912 896 HB2 LYS 112 HB2 LYS 112 7.296 2.422 -9.560 897 HB3 LYS 112 HB3 LYS 112 5.979 2.807 -8.462 898 HG2 LYS 112 HG2 LYS 112 5.377 1.080 -10.084 899 HG3 LYS 112 HG3 LYS 112 4.361 2.509 -10.231 900 HD2 LYS 112 HD2 LYS 112 5.066 1.617 -12.421 901 HD3 LYS 112 HD3 LYS 112 5.659 3.257 -12.144 902 HE2 LYS 112 HE2 LYS 112 7.818 2.259 -11.378 903 HE3 LYS 112 HE3 LYS 112 7.210 0.684 -11.890 904 HZ1 LYS 112 HZ1 LYS 112 7.340 2.986 -13.741 905 HZ2 LYS 112 HZ2 LYS 112 8.665 1.952 -13.503 906 HZ3 LYS 112 HZ3 LYS 112 7.205 1.334 -14.118 907 H VAL 113 H VAL 113 6.383 5.087 -7.408 908 HA VAL 113 HA VAL 113 3.619 5.783 -7.313 909 HB VAL 113 HB VAL 113 4.756 4.945 -5.318 910 HG11 VAL 113 HG11 VAL 113 6.946 5.928 -5.564 911 HG12 VAL 113 HG12 VAL 113 6.276 7.548 -5.364 912 HG13 VAL 113 HG13 VAL 113 6.251 6.410 -4.015 913 HG21 VAL 113 HG21 VAL 113 3.832 6.529 -3.712 914 HG22 VAL 113 HG22 VAL 113 3.715 7.751 -4.978 915 HG23 VAL 113 HG23 VAL 113 2.739 6.285 -5.074 916 H LYS 114 H LYS 114 6.619 7.647 -7.551 917 HA LYS 114 HA LYS 114 5.415 10.185 -7.244 918 HB2 LYS 114 HB2 LYS 114 7.806 9.836 -6.918 919 HB3 LYS 114 HB3 LYS 114 7.989 9.459 -8.627 920 HG2 LYS 114 HG2 LYS 114 7.442 11.683 -9.255 921 HG3 LYS 114 HG3 LYS 114 6.949 12.091 -7.616 922 HD2 LYS 114 HD2 LYS 114 9.724 11.251 -8.376 923 HD3 LYS 114 HD3 LYS 114 9.196 12.932 -8.312 924 HE2 LYS 114 HE2 LYS 114 9.090 10.991 -6.010 925 HE3 LYS 114 HE3 LYS 114 10.345 12.195 -6.269 926 HZ1 LYS 114 HZ1 LYS 114 8.660 13.929 -6.121 927 HZ2 LYS 114 HZ2 LYS 114 7.464 12.764 -5.829 928 HZ3 LYS 114 HZ3 LYS 114 8.713 13.000 -4.708 929 H LEU 115 H LEU 115 6.496 8.472 -10.180 930 HA LEU 115 HA LEU 115 5.487 10.519 -11.903 931 HB2 LEU 115 HB2 LEU 115 6.696 7.818 -12.319 932 HB3 LEU 115 HB3 LEU 115 5.891 8.611 -13.657 933 HG LEU 115 HG LEU 115 8.290 8.988 -13.756 934 HD11 LEU 115 HD11 LEU 115 6.844 10.736 -14.604 935 HD12 LEU 115 HD12 LEU 115 6.763 11.475 -13.006 936 HD13 LEU 115 HD13 LEU 115 8.294 11.432 -13.880 937 HD21 LEU 115 HD21 LEU 115 8.794 8.790 -11.366 938 HD22 LEU 115 HD22 LEU 115 9.466 10.267 -12.056 939 HD23 LEU 115 HD23 LEU 115 8.002 10.340 -11.073 940 H GLY 116 H GLY 116 3.962 8.076 -10.223 941 HA2 GLY 116 HA2 GLY 116 1.861 7.659 -12.194 942 HA3 GLY 116 HA3 GLY 116 1.963 6.920 -10.605 943 H VAL 117 H VAL 117 2.555 9.847 -9.677 944 HA VAL 117 HA VAL 117 -0.278 10.663 -9.575 945 HB VAL 117 HB VAL 117 1.748 10.886 -7.340 946 HG11 VAL 117 HG11 VAL 117 -0.156 11.653 -5.985 947 HG12 VAL 117 HG12 VAL 117 0.200 12.752 -7.317 948 HG13 VAL 117 HG13 VAL 117 -1.170 11.646 -7.429 949 HG21 VAL 117 HG21 VAL 117 0.271 9.280 -6.166 950 HG22 VAL 117 HG22 VAL 117 -0.652 9.088 -7.657 951 HG23 VAL 117 HG23 VAL 117 1.040 8.597 -7.599 952 H GLU 118 H GLU 118 3.060 11.855 -9.112 953 HA GLU 118 HA GLU 118 2.182 14.589 -9.472 954 HB2 GLU 118 HB2 GLU 118 4.940 13.424 -9.066 955 HB3 GLU 118 HB3 GLU 118 4.582 15.141 -9.146 956 HG2 GLU 118 HG2 GLU 118 3.113 14.876 -7.169 957 HG3 GLU 118 HG3 GLU 118 3.635 13.195 -7.059 958 H SER 119 H SER 119 1.616 15.029 -11.510 959 HA SER 119 HA SER 119 3.356 14.173 -13.688 960 HB2 SER 119 HB2 SER 119 0.684 15.593 -13.824 961 HB3 SER 119 HB3 SER 119 1.552 14.857 -15.172 962 HG SER 119 HG SER 119 1.387 12.848 -13.817 963 H GLU 120 H GLU 120 1.494 17.175 -13.349 964 HA GLU 120 HA GLU 120 3.958 18.634 -14.036 965 HB2 GLU 120 HB2 GLU 120 1.105 19.309 -14.780 966 HB3 GLU 120 HB3 GLU 120 2.509 20.302 -15.146 967 HG2 GLU 120 HG2 GLU 120 1.959 17.531 -16.179 968 HG3 GLU 120 HG3 GLU 120 1.850 19.036 -17.092 969 H GLY 121 H GLY 121 4.619 19.242 -12.050 970 HA2 GLY 121 HA2 GLY 121 4.455 21.223 -10.600 971 HA3 GLY 121 HA3 GLY 121 2.733 20.882 -10.479 Start of MODEL 9 1 H ALA 1 H ALA 1 8.665 4.934 15.134 2 HA ALA 1 HA ALA 1 9.594 2.569 13.620 3 HB1 ALA 1 HB1 ALA 1 9.031 3.804 11.594 4 HB2 ALA 1 HB2 ALA 1 7.593 3.521 12.575 5 HB3 ALA 1 HB3 ALA 1 8.356 5.109 12.566 6 H GLN 2 H GLN 2 11.447 3.068 12.279 7 HA GLN 2 HA GLN 2 12.913 5.498 12.959 8 HB2 GLN 2 HB2 GLN 2 13.505 3.868 14.717 9 HB3 GLN 2 HB3 GLN 2 14.017 2.729 13.481 10 HG2 GLN 2 HG2 GLN 2 15.793 4.258 12.800 11 HG3 GLN 2 HG3 GLN 2 15.274 5.411 14.030 12 HE21 GLN 2 HE21 GLN 2 14.641 3.310 15.953 13 HE22 GLN 2 HE22 GLN 2 16.162 2.729 16.546 14 H ALA 3 H ALA 3 14.274 2.507 11.746 15 HA ALA 3 HA ALA 3 14.051 3.296 8.975 16 HB1 ALA 3 HB1 ALA 3 16.455 3.355 8.566 17 HB2 ALA 3 HB2 ALA 3 16.000 4.597 9.732 18 HB3 ALA 3 HB3 ALA 3 16.769 3.109 10.285 19 H ASP 4 H ASP 4 13.207 1.158 10.699 20 HA ASP 4 HA ASP 4 14.812 -1.135 9.838 21 HB2 ASP 4 HB2 ASP 4 14.219 -1.047 12.206 22 HB3 ASP 4 HB3 ASP 4 12.513 -0.900 11.798 23 H GLY 5 H GLY 5 11.669 0.348 9.548 24 HA2 GLY 5 HA2 GLY 5 11.125 -0.539 6.992 25 HA3 GLY 5 HA3 GLY 5 10.406 -1.722 8.078 26 H ILE 6 H ILE 6 8.904 -0.146 6.318 27 HA ILE 6 HA ILE 6 7.715 2.085 7.567 28 HB ILE 6 HB ILE 6 6.718 0.200 5.434 29 HG12 ILE 6 HG12 ILE 6 7.691 3.060 5.418 30 HG13 ILE 6 HG13 ILE 6 8.528 1.659 4.761 31 HG21 ILE 6 HG21 ILE 6 4.869 1.763 5.025 32 HG22 ILE 6 HG22 ILE 6 4.756 0.998 6.612 33 HG23 ILE 6 HG23 ILE 6 5.324 2.664 6.473 34 HD11 ILE 6 HD11 ILE 6 5.945 2.817 3.738 35 HD12 ILE 6 HD12 ILE 6 7.538 2.993 2.999 36 HD13 ILE 6 HD13 ILE 6 6.772 1.404 3.082 37 H ALA 7 H ALA 7 6.108 2.281 9.023 38 HA ALA 7 HA ALA 7 5.396 -0.112 10.496 39 HB1 ALA 7 HB1 ALA 7 4.717 2.776 11.042 40 HB2 ALA 7 HB2 ALA 7 4.448 1.421 12.139 41 HB3 ALA 7 HB3 ALA 7 6.092 1.894 11.708 42 H PHE 8 H PHE 8 3.929 -1.241 9.295 43 HA PHE 8 HA PHE 8 1.631 0.051 8.132 44 HB2 PHE 8 HB2 PHE 8 2.457 -2.846 8.363 45 HB3 PHE 8 HB3 PHE 8 0.984 -2.315 7.571 46 HD1 PHE 8 HD1 PHE 8 1.175 -0.794 5.565 47 HD2 PHE 8 HD2 PHE 8 4.501 -2.862 7.231 48 HE1 PHE 8 HE1 PHE 8 2.412 -0.491 3.462 49 HE2 PHE 8 HE2 PHE 8 5.744 -2.560 5.129 50 HZ PHE 8 HZ PHE 8 4.700 -1.373 3.243 51 H ARG 9 H ARG 9 -0.419 0.044 8.906 52 HA ARG 9 HA ARG 9 -0.869 -1.281 11.503 53 HB2 ARG 9 HB2 ARG 9 -2.107 1.291 10.497 54 HB3 ARG 9 HB3 ARG 9 -2.442 0.525 12.043 55 HG2 ARG 9 HG2 ARG 9 -0.008 0.809 12.595 56 HG3 ARG 9 HG3 ARG 9 0.128 1.795 11.139 57 HD2 ARG 9 HD2 ARG 9 -1.755 2.347 13.425 58 HD3 ARG 9 HD3 ARG 9 -0.190 3.120 13.205 59 HE ARG 9 HE ARG 9 -1.158 3.954 11.032 60 HH11 ARG 9 HH11 ARG 9 -3.203 3.151 13.762 61 HH12 ARG 9 HH12 ARG 9 -4.368 4.391 13.408 62 HH21 ARG 9 HH21 ARG 9 -2.686 5.555 10.550 63 HH22 ARG 9 HH22 ARG 9 -4.075 5.767 11.576 64 H GLU 10 H GLU 10 -2.694 -2.520 11.702 65 HA GLU 10 HA GLU 10 -4.197 -2.880 9.214 66 HB2 GLU 10 HB2 GLU 10 -4.810 -5.111 10.603 67 HB3 GLU 10 HB3 GLU 10 -3.453 -4.985 9.495 68 HG2 GLU 10 HG2 GLU 10 -2.661 -6.026 11.464 69 HG3 GLU 10 HG3 GLU 10 -2.021 -4.385 11.455 70 H LEU 11 H LEU 11 -5.819 -1.434 9.417 71 HA LEU 11 HA LEU 11 -7.705 -1.846 11.632 72 HB2 LEU 11 HB2 LEU 11 -7.264 0.517 9.803 73 HB3 LEU 11 HB3 LEU 11 -8.657 0.359 10.837 74 HG LEU 11 HG LEU 11 -7.177 1.824 11.940 75 HD11 LEU 11 HD11 LEU 11 -8.223 0.205 13.404 76 HD12 LEU 11 HD12 LEU 11 -6.872 -0.903 13.171 77 HD13 LEU 11 HD13 LEU 11 -6.618 0.635 13.995 78 HD21 LEU 11 HD21 LEU 11 -4.841 1.262 12.449 79 HD22 LEU 11 HD22 LEU 11 -5.000 -0.212 11.492 80 HD23 LEU 11 HD23 LEU 11 -5.145 1.365 10.714 81 H SER 12 H SER 12 -10.031 -1.633 10.970 82 HA SER 12 HA SER 12 -10.673 -3.093 8.606 83 HB2 SER 12 HB2 SER 12 -12.064 -2.948 10.739 84 HB3 SER 12 HB3 SER 12 -12.534 -1.333 10.223 85 HG SER 12 HG SER 12 -13.188 -3.835 9.120 86 H PHE 13 H PHE 13 -12.103 -2.122 6.835 87 HA PHE 13 HA PHE 13 -10.660 -0.038 5.624 88 HB2 PHE 13 HB2 PHE 13 -11.938 -1.708 4.344 89 HB3 PHE 13 HB3 PHE 13 -13.436 -0.998 4.911 90 HD1 PHE 13 HD1 PHE 13 -10.398 -0.298 2.921 91 HD2 PHE 13 HD2 PHE 13 -14.403 0.831 3.814 92 HE1 PHE 13 HE1 PHE 13 -10.374 1.268 1.022 93 HE2 PHE 13 HE2 PHE 13 -14.388 2.401 1.917 94 HZ PHE 13 HZ PHE 13 -12.372 2.621 0.518 95 HA PRO 14 HA PRO 14 -14.452 2.928 6.813 96 HB2 PRO 14 HB2 PRO 14 -15.172 1.516 9.326 97 HB3 PRO 14 HB3 PRO 14 -16.205 2.392 8.193 98 HG2 PRO 14 HG2 PRO 14 -16.175 -0.288 8.297 99 HG3 PRO 14 HG3 PRO 14 -16.408 0.591 6.776 100 HD2 PRO 14 HD2 PRO 14 -14.029 -0.888 7.759 101 HD3 PRO 14 HD3 PRO 14 -14.589 -0.601 6.106 102 H GLU 15 H GLU 15 -12.802 1.120 9.383 103 HA GLU 15 HA GLU 15 -12.265 3.178 11.134 104 HB2 GLU 15 HB2 GLU 15 -12.024 0.697 11.474 105 HB3 GLU 15 HB3 GLU 15 -10.558 0.768 10.516 106 HG2 GLU 15 HG2 GLU 15 -9.979 0.731 12.797 107 HG3 GLU 15 HG3 GLU 15 -9.608 2.315 12.136 108 H ALA 16 H ALA 16 -10.174 1.759 8.639 109 HA ALA 16 HA ALA 16 -7.985 3.464 9.029 110 HB1 ALA 16 HB1 ALA 16 -7.825 1.324 7.871 111 HB2 ALA 16 HB2 ALA 16 -8.773 1.971 6.531 112 HB3 ALA 16 HB3 ALA 16 -7.177 2.634 6.884 113 H LEU 17 H LEU 17 -10.794 3.742 6.926 114 HA LEU 17 HA LEU 17 -9.946 5.936 5.389 115 HB2 LEU 17 HB2 LEU 17 -11.960 4.475 4.987 116 HB3 LEU 17 HB3 LEU 17 -12.767 5.337 6.276 117 HG LEU 17 HG LEU 17 -12.551 7.436 4.990 118 HD11 LEU 17 HD11 LEU 17 -11.490 5.649 2.807 119 HD12 LEU 17 HD12 LEU 17 -11.883 7.362 2.652 120 HD13 LEU 17 HD13 LEU 17 -10.560 6.852 3.700 121 HD21 LEU 17 HD21 LEU 17 -13.902 5.161 3.544 122 HD22 LEU 17 HD22 LEU 17 -14.594 6.144 4.835 123 HD23 LEU 17 HD23 LEU 17 -14.218 6.874 3.273 124 H LYS 18 H LYS 18 -11.873 5.770 8.340 125 HA LYS 18 HA LYS 18 -12.152 8.536 8.747 126 HB2 LYS 18 HB2 LYS 18 -13.521 6.822 9.878 127 HB3 LYS 18 HB3 LYS 18 -12.114 6.322 10.807 128 HG2 LYS 18 HG2 LYS 18 -13.490 7.721 12.171 129 HG3 LYS 18 HG3 LYS 18 -12.003 8.589 11.780 130 HD2 LYS 18 HD2 LYS 18 -13.172 9.822 10.027 131 HD3 LYS 18 HD3 LYS 18 -14.656 8.934 10.375 132 HE2 LYS 18 HE2 LYS 18 -14.633 9.864 12.662 133 HE3 LYS 18 HE3 LYS 18 -13.199 10.801 12.242 134 HZ1 LYS 18 HZ1 LYS 18 -15.250 12.095 12.071 135 HZ2 LYS 18 HZ2 LYS 18 -14.461 11.971 10.576 136 HZ3 LYS 18 HZ3 LYS 18 -15.834 11.031 10.891 137 H ARG 19 H ARG 19 -9.749 6.230 9.946 138 HA ARG 19 HA ARG 19 -8.278 7.924 11.591 139 HB2 ARG 19 HB2 ARG 19 -7.316 5.622 9.885 140 HB3 ARG 19 HB3 ARG 19 -6.390 6.369 11.172 141 HG2 ARG 19 HG2 ARG 19 -9.007 4.930 11.509 142 HG3 ARG 19 HG3 ARG 19 -7.412 4.273 11.877 143 HD2 ARG 19 HD2 ARG 19 -7.086 6.040 13.545 144 HD3 ARG 19 HD3 ARG 19 -8.697 6.665 13.187 145 HE ARG 19 HE ARG 19 -9.511 4.399 13.932 146 HH11 ARG 19 HH11 ARG 19 -6.493 5.741 15.107 147 HH12 ARG 19 HH12 ARG 19 -6.569 4.906 16.636 148 HH21 ARG 19 HH21 ARG 19 -9.603 3.288 15.903 149 HH22 ARG 19 HH22 ARG 19 -8.327 3.470 17.070 150 H ALA 20 H ALA 20 -8.010 7.323 8.118 151 HA ALA 20 HA ALA 20 -5.702 8.860 7.650 152 HB1 ALA 20 HB1 ALA 20 -6.540 7.239 6.036 153 HB2 ALA 20 HB2 ALA 20 -7.973 8.231 5.769 154 HB3 ALA 20 HB3 ALA 20 -6.384 8.834 5.298 155 H GLU 21 H GLU 21 -9.143 9.689 7.460 156 HA GLU 21 HA GLU 21 -8.898 12.282 6.492 157 HB2 GLU 21 HB2 GLU 21 -10.957 11.025 8.298 158 HB3 GLU 21 HB3 GLU 21 -11.115 12.659 7.667 159 HG2 GLU 21 HG2 GLU 21 -10.747 10.258 5.906 160 HG3 GLU 21 HG3 GLU 21 -12.327 10.854 6.410 161 H VAL 22 H VAL 22 -8.606 11.085 9.791 162 HA VAL 22 HA VAL 22 -8.496 13.783 10.854 163 HB VAL 22 HB VAL 22 -8.136 11.153 12.296 164 HG11 VAL 22 HG11 VAL 22 -8.647 13.925 13.367 165 HG12 VAL 22 HG12 VAL 22 -8.568 12.444 14.322 166 HG13 VAL 22 HG13 VAL 22 -7.133 13.030 13.482 167 HG21 VAL 22 HG21 VAL 22 -10.345 11.273 11.328 168 HG22 VAL 22 HG22 VAL 22 -10.457 11.529 13.069 169 HG23 VAL 22 HG23 VAL 22 -10.574 12.901 11.967 170 H GLU 23 H GLU 23 -6.266 10.978 10.744 171 HA GLU 23 HA GLU 23 -4.184 12.707 11.874 172 HB2 GLU 23 HB2 GLU 23 -4.382 9.711 11.619 173 HB3 GLU 23 HB3 GLU 23 -2.978 10.550 12.261 174 HG2 GLU 23 HG2 GLU 23 -5.741 10.776 13.423 175 HG3 GLU 23 HG3 GLU 23 -4.525 9.624 13.975 176 H ASP 24 H ASP 24 -4.890 10.841 8.994 177 HA ASP 24 HA ASP 24 -2.138 11.310 8.056 178 HB2 ASP 24 HB2 ASP 24 -4.108 9.151 7.262 179 HB3 ASP 24 HB3 ASP 24 -2.507 9.357 6.558 180 H LYS 25 H LYS 25 -2.959 10.497 5.313 181 HA LYS 25 HA LYS 25 -4.590 12.817 4.573 182 HB2 LYS 25 HB2 LYS 25 -2.228 13.356 4.174 183 HB3 LYS 25 HB3 LYS 25 -2.070 11.917 3.165 184 HG2 LYS 25 HG2 LYS 25 -2.317 14.053 1.905 185 HG3 LYS 25 HG3 LYS 25 -3.525 12.829 1.512 186 HD2 LYS 25 HD2 LYS 25 -5.139 13.931 2.962 187 HD3 LYS 25 HD3 LYS 25 -3.931 15.135 3.412 188 HE2 LYS 25 HE2 LYS 25 -3.841 15.944 1.136 189 HE3 LYS 25 HE3 LYS 25 -4.941 14.670 0.609 190 HZ1 LYS 25 HZ1 LYS 25 -6.018 16.861 0.944 191 HZ2 LYS 25 HZ2 LYS 25 -6.699 15.623 1.879 192 HZ3 LYS 25 HZ3 LYS 25 -5.661 16.756 2.600 193 H LEU 26 H LEU 26 -3.012 10.505 2.422 194 HA LEU 26 HA LEU 26 -5.670 9.645 1.535 195 HB2 LEU 26 HB2 LEU 26 -3.000 9.787 0.258 196 HB3 LEU 26 HB3 LEU 26 -4.034 8.462 -0.233 197 HG LEU 26 HG LEU 26 -5.793 10.132 -0.836 198 HD11 LEU 26 HD11 LEU 26 -5.127 12.464 -1.119 199 HD12 LEU 26 HD12 LEU 26 -5.088 11.973 0.574 200 HD13 LEU 26 HD13 LEU 26 -3.586 12.116 -0.337 201 HD21 LEU 26 HD21 LEU 26 -3.127 10.395 -2.215 202 HD22 LEU 26 HD22 LEU 26 -4.363 9.177 -2.538 203 HD23 LEU 26 HD23 LEU 26 -4.682 10.875 -2.896 204 H LEU 27 H LEU 27 -5.304 7.202 0.528 205 HA LEU 27 HA LEU 27 -4.657 5.637 2.938 206 HB2 LEU 27 HB2 LEU 27 -7.022 5.634 2.399 207 HB3 LEU 27 HB3 LEU 27 -6.681 5.136 0.754 208 HG LEU 27 HG LEU 27 -5.816 2.976 1.625 209 HD11 LEU 27 HD11 LEU 27 -6.322 2.354 3.942 210 HD12 LEU 27 HD12 LEU 27 -5.156 3.675 3.850 211 HD13 LEU 27 HD13 LEU 27 -6.836 4.010 4.265 212 HD21 LEU 27 HD21 LEU 27 -8.097 3.135 0.832 213 HD22 LEU 27 HD22 LEU 27 -8.015 2.057 2.226 214 HD23 LEU 27 HD23 LEU 27 -8.633 3.698 2.416 215 H PHE 28 H PHE 28 -2.909 4.410 2.777 216 HA PHE 28 HA PHE 28 -2.053 3.460 0.141 217 HB2 PHE 28 HB2 PHE 28 -0.339 4.562 1.525 218 HB3 PHE 28 HB3 PHE 28 -0.616 3.390 2.810 219 HD1 PHE 28 HD1 PHE 28 0.506 3.699 -0.714 220 HD2 PHE 28 HD2 PHE 28 0.570 1.379 2.855 221 HE1 PHE 28 HE1 PHE 28 2.216 2.232 -1.702 222 HE2 PHE 28 HE2 PHE 28 2.280 -0.091 1.871 223 HZ PHE 28 HZ PHE 28 3.105 0.334 -0.409 224 H VAL 29 H VAL 29 -2.998 1.613 -0.412 225 HA VAL 29 HA VAL 29 -3.743 -0.295 1.672 226 HB VAL 29 HB VAL 29 -4.410 -0.365 -1.276 227 HG11 VAL 29 HG11 VAL 29 -6.170 -1.927 -0.603 228 HG12 VAL 29 HG12 VAL 29 -4.567 -2.540 -0.194 229 HG13 VAL 29 HG13 VAL 29 -5.595 -1.853 1.062 230 HG21 VAL 29 HG21 VAL 29 -5.342 1.635 -0.279 231 HG22 VAL 29 HG22 VAL 29 -6.625 0.471 -0.612 232 HG23 VAL 29 HG23 VAL 29 -6.033 0.685 1.035 233 H ASP 30 H ASP 30 -2.033 -1.518 2.213 234 HA ASP 30 HA ASP 30 -0.377 -2.733 0.148 235 HB2 ASP 30 HB2 ASP 30 0.822 -2.006 2.096 236 HB3 ASP 30 HB3 ASP 30 -0.293 -2.847 3.168 237 H CYS 31 H CYS 31 -1.222 -4.405 -0.875 238 HA CYS 31 HA CYS 31 -2.508 -6.495 0.736 239 HB2 CYS 31 HB2 CYS 31 -3.225 -5.618 -2.067 240 HB3 CYS 31 HB3 CYS 31 -3.834 -7.085 -1.308 241 HG CYS 31 HG CYS 31 -4.464 -4.762 0.818 242 H PHE 32 H PHE 32 -1.238 -8.158 0.862 243 HA PHE 32 HA PHE 32 0.276 -9.008 -1.507 244 HB2 PHE 32 HB2 PHE 32 2.173 -9.590 -0.119 245 HB3 PHE 32 HB3 PHE 32 1.765 -7.904 0.179 246 HD1 PHE 32 HD1 PHE 32 0.319 -7.392 2.234 247 HD2 PHE 32 HD2 PHE 32 2.340 -11.089 1.641 248 HE1 PHE 32 HE1 PHE 32 0.148 -7.867 4.641 249 HE2 PHE 32 HE2 PHE 32 2.170 -11.574 4.046 250 HZ PHE 32 HZ PHE 32 1.074 -9.961 5.549 251 H THR 33 H THR 33 0.890 -11.326 -1.365 252 HA THR 33 HA THR 33 -1.278 -12.866 -0.135 253 HB THR 33 HB THR 33 0.793 -13.777 -2.151 254 HG1 THR 33 HG1 THR 33 -1.431 -12.229 -2.437 255 HG21 THR 33 HG21 THR 33 -0.808 -15.598 -2.590 256 HG22 THR 33 HG22 THR 33 -0.218 -15.623 -0.929 257 HG23 THR 33 HG23 THR 33 -1.831 -15.001 -1.280 258 H THR 34 H THR 34 -0.868 -14.650 1.194 259 HA THR 34 HA THR 34 1.169 -14.425 3.076 260 HB THR 34 HB THR 34 -0.210 -17.035 2.464 261 HG1 THR 34 HG1 THR 34 -1.743 -15.805 4.134 262 HG21 THR 34 HG21 THR 34 -0.209 -17.242 4.915 263 HG22 THR 34 HG22 THR 34 1.425 -17.040 4.282 264 HG23 THR 34 HG23 THR 34 0.600 -15.681 5.043 265 H TRP 35 H TRP 35 1.017 -16.202 0.080 266 HA TRP 35 HA TRP 35 3.317 -17.760 0.233 267 HB2 TRP 35 HB2 TRP 35 1.650 -17.816 -1.605 268 HB3 TRP 35 HB3 TRP 35 2.219 -16.246 -2.151 269 HD1 TRP 35 HD1 TRP 35 3.366 -19.911 -1.924 270 HE1 TRP 35 HE1 TRP 35 5.202 -20.299 -3.689 271 HE3 TRP 35 HE3 TRP 35 3.939 -15.107 -3.558 272 HZ2 TRP 35 HZ2 TRP 35 6.689 -18.765 -5.522 273 HZ3 TRP 35 HZ3 TRP 35 5.592 -14.652 -5.324 274 HH2 TRP 35 HH2 TRP 35 6.940 -16.445 -6.285 275 H CYS 36 H CYS 36 5.293 -17.090 0.798 276 HA CYS 36 HA CYS 36 5.944 -14.291 0.691 277 HB2 CYS 36 HB2 CYS 36 7.501 -16.677 1.697 278 HB3 CYS 36 HB3 CYS 36 8.062 -15.011 1.812 279 HG CYS 36 HG CYS 36 5.004 -15.396 3.064 280 H GLY 37 H GLY 37 6.276 -13.621 -1.331 281 HA2 GLY 37 HA2 GLY 37 8.678 -14.719 -2.653 282 HA3 GLY 37 HA3 GLY 37 7.254 -14.258 -3.576 283 HA PRO 38 HA PRO 38 9.422 -10.392 -4.132 284 HB2 PRO 38 HB2 PRO 38 6.763 -9.480 -5.046 285 HB3 PRO 38 HB3 PRO 38 8.311 -9.461 -5.894 286 HG2 PRO 38 HG2 PRO 38 6.371 -11.194 -6.546 287 HG3 PRO 38 HG3 PRO 38 8.086 -11.635 -6.632 288 HD2 PRO 38 HD2 PRO 38 6.041 -12.362 -4.583 289 HD3 PRO 38 HD3 PRO 38 7.377 -13.327 -5.239 290 H CYS 39 H CYS 39 6.365 -10.791 -2.474 291 HA CYS 39 HA CYS 39 5.992 -8.212 -1.485 292 HB2 CYS 39 HB2 CYS 39 4.686 -9.448 0.349 293 HB3 CYS 39 HB3 CYS 39 4.165 -9.677 -1.317 294 HG CYS 39 HG CYS 39 3.943 -12.111 0.070 295 H LYS 40 H LYS 40 7.982 -10.851 -0.280 296 HA LYS 40 HA LYS 40 8.509 -9.679 2.259 297 HB2 LYS 40 HB2 LYS 40 8.784 -12.087 1.852 298 HB3 LYS 40 HB3 LYS 40 10.086 -11.754 0.718 299 HG2 LYS 40 HG2 LYS 40 11.384 -10.745 2.568 300 HG3 LYS 40 HG3 LYS 40 10.098 -11.210 3.682 301 HD2 LYS 40 HD2 LYS 40 11.677 -13.123 1.963 302 HD3 LYS 40 HD3 LYS 40 11.986 -12.804 3.670 303 HE2 LYS 40 HE2 LYS 40 9.783 -13.637 4.247 304 HE3 LYS 40 HE3 LYS 40 9.411 -13.893 2.542 305 HZ1 LYS 40 HZ1 LYS 40 11.187 -15.517 2.425 306 HZ2 LYS 40 HZ2 LYS 40 11.572 -15.262 4.057 307 HZ3 LYS 40 HZ3 LYS 40 10.081 -15.952 3.639 308 H ARG 41 H ARG 41 10.270 -9.737 -0.820 309 HA ARG 41 HA ARG 41 12.528 -8.325 0.140 310 HB2 ARG 41 HB2 ARG 41 12.401 -9.725 -1.972 311 HB3 ARG 41 HB3 ARG 41 11.561 -8.378 -2.722 312 HG2 ARG 41 HG2 ARG 41 13.502 -6.942 -2.259 313 HG3 ARG 41 HG3 ARG 41 14.351 -8.351 -1.617 314 HD2 ARG 41 HD2 ARG 41 15.044 -8.079 -3.861 315 HD3 ARG 41 HD3 ARG 41 13.971 -9.470 -3.822 316 HE ARG 41 HE ARG 41 12.939 -6.831 -4.616 317 HH11 ARG 41 HH11 ARG 41 13.603 -10.189 -5.341 318 HH12 ARG 41 HH12 ARG 41 12.834 -10.147 -6.903 319 HH21 ARG 41 HH21 ARG 41 11.887 -6.764 -6.649 320 HH22 ARG 41 HH22 ARG 41 11.848 -8.194 -7.643 321 H LEU 42 H LEU 42 9.484 -7.350 -1.294 322 HA LEU 42 HA LEU 42 10.037 -4.639 -1.717 323 HB2 LEU 42 HB2 LEU 42 8.054 -5.759 -2.600 324 HB3 LEU 42 HB3 LEU 42 7.438 -5.985 -0.975 325 HG LEU 42 HG LEU 42 7.275 -3.519 -0.733 326 HD11 LEU 42 HD11 LEU 42 8.989 -2.887 -2.352 327 HD12 LEU 42 HD12 LEU 42 7.982 -3.504 -3.662 328 HD13 LEU 42 HD13 LEU 42 7.445 -2.115 -2.716 329 HD21 LEU 42 HD21 LEU 42 5.333 -4.829 -1.380 330 HD22 LEU 42 HD22 LEU 42 5.322 -3.256 -2.178 331 HD23 LEU 42 HD23 LEU 42 5.798 -4.698 -3.077 332 H SER 43 H SER 43 8.742 -6.328 1.125 333 HA SER 43 HA SER 43 8.410 -3.907 2.611 334 HB2 SER 43 HB2 SER 43 7.035 -6.001 2.908 335 HB3 SER 43 HB3 SER 43 8.442 -6.733 3.678 336 HG SER 43 HG SER 43 6.990 -4.450 4.541 337 H LYS 44 H LYS 44 10.863 -6.443 2.470 338 HA LYS 44 HA LYS 44 12.206 -5.509 4.831 339 HB2 LYS 44 HB2 LYS 44 12.207 -7.877 4.314 340 HB3 LYS 44 HB3 LYS 44 12.992 -7.575 2.771 341 HG2 LYS 44 HG2 LYS 44 14.564 -8.445 4.414 342 HG3 LYS 44 HG3 LYS 44 14.998 -6.808 3.921 343 HD2 LYS 44 HD2 LYS 44 15.266 -7.012 6.306 344 HD3 LYS 44 HD3 LYS 44 13.900 -5.950 5.970 345 HE2 LYS 44 HE2 LYS 44 12.369 -7.844 6.347 346 HE3 LYS 44 HE3 LYS 44 13.753 -8.860 6.749 347 HZ1 LYS 44 HZ1 LYS 44 12.720 -8.030 8.744 348 HZ2 LYS 44 HZ2 LYS 44 14.258 -7.339 8.583 349 HZ3 LYS 44 HZ3 LYS 44 12.878 -6.427 8.213 350 H VAL 45 H VAL 45 12.805 -5.266 1.338 351 HA VAL 45 HA VAL 45 15.356 -3.948 1.890 352 HB VAL 45 HB VAL 45 14.170 -4.817 -0.750 353 HG11 VAL 45 HG11 VAL 45 15.711 -2.955 -1.029 354 HG12 VAL 45 HG12 VAL 45 16.937 -3.810 -0.092 355 HG13 VAL 45 HG13 VAL 45 16.417 -4.445 -1.652 356 HG21 VAL 45 HG21 VAL 45 15.792 -6.635 -0.658 357 HG22 VAL 45 HG22 VAL 45 16.346 -6.076 0.919 358 HG23 VAL 45 HG23 VAL 45 14.705 -6.695 0.730 359 H VAL 46 H VAL 46 12.357 -3.311 0.072 360 HA VAL 46 HA VAL 46 13.221 -0.718 -0.758 361 HB VAL 46 HB VAL 46 10.423 -1.858 -0.773 362 HG11 VAL 46 HG11 VAL 46 10.447 0.561 -1.001 363 HG12 VAL 46 HG12 VAL 46 11.630 0.440 -2.303 364 HG13 VAL 46 HG13 VAL 46 10.003 -0.201 -2.528 365 HG21 VAL 46 HG21 VAL 46 12.544 -1.876 -2.914 366 HG22 VAL 46 HG22 VAL 46 11.947 -3.278 -2.025 367 HG23 VAL 46 HG23 VAL 46 10.875 -2.406 -3.121 368 H PHE 47 H PHE 47 10.812 -1.827 1.619 369 HA PHE 47 HA PHE 47 10.227 0.888 2.402 370 HB2 PHE 47 HB2 PHE 47 9.241 -1.753 3.493 371 HB3 PHE 47 HB3 PHE 47 8.636 -0.174 3.982 372 HD1 PHE 47 HD1 PHE 47 8.707 1.057 1.163 373 HD2 PHE 47 HD2 PHE 47 7.185 -2.619 2.680 374 HE1 PHE 47 HE1 PHE 47 7.034 1.008 -0.640 375 HE2 PHE 47 HE2 PHE 47 5.517 -2.678 0.873 376 HZ PHE 47 HZ PHE 47 5.438 -0.862 -0.789 377 H LYS 48 H LYS 48 12.909 -0.550 2.976 378 HA LYS 48 HA LYS 48 13.009 -0.555 5.869 379 HB2 LYS 48 HB2 LYS 48 14.323 -2.167 4.533 380 HB3 LYS 48 HB3 LYS 48 15.229 -0.836 3.834 381 HG2 LYS 48 HG2 LYS 48 15.961 -0.245 6.169 382 HG3 LYS 48 HG3 LYS 48 15.256 -1.779 6.686 383 HD2 LYS 48 HD2 LYS 48 16.722 -2.987 5.167 384 HD3 LYS 48 HD3 LYS 48 17.389 -1.466 4.574 385 HE2 LYS 48 HE2 LYS 48 18.946 -2.360 6.127 386 HE3 LYS 48 HE3 LYS 48 18.153 -0.996 6.912 387 HZ1 LYS 48 HZ1 LYS 48 18.388 -2.922 8.377 388 HZ2 LYS 48 HZ2 LYS 48 16.760 -2.528 8.129 389 HZ3 LYS 48 HZ3 LYS 48 17.440 -3.851 7.321 390 H ASP 49 H ASP 49 13.798 1.600 3.246 391 HA ASP 49 HA ASP 49 15.667 3.203 4.675 392 HB2 ASP 49 HB2 ASP 49 15.720 3.153 2.251 393 HB3 ASP 49 HB3 ASP 49 14.081 3.793 2.172 394 H SER 50 H SER 50 15.428 5.105 5.744 395 HA SER 50 HA SER 50 12.960 5.486 7.077 396 HB2 SER 50 HB2 SER 50 14.211 7.533 8.015 397 HB3 SER 50 HB3 SER 50 14.892 5.939 8.342 398 HG SER 50 HG SER 50 16.194 7.884 7.347 399 H LEU 51 H LEU 51 14.579 7.195 4.447 400 HA LEU 51 HA LEU 51 12.810 9.423 4.442 401 HB2 LEU 51 HB2 LEU 51 14.845 8.344 2.535 402 HB3 LEU 51 HB3 LEU 51 13.722 9.565 1.978 403 HG LEU 51 HG LEU 51 14.527 11.094 3.747 404 HD11 LEU 51 HD11 LEU 51 16.533 8.919 4.316 405 HD12 LEU 51 HD12 LEU 51 16.541 10.544 5.001 406 HD13 LEU 51 HD13 LEU 51 15.228 9.431 5.387 407 HD21 LEU 51 HD21 LEU 51 16.699 9.957 1.994 408 HD22 LEU 51 HD22 LEU 51 15.514 11.175 1.521 409 HD23 LEU 51 HD23 LEU 51 16.713 11.545 2.760 410 H VAL 52 H VAL 52 12.968 6.406 2.608 411 HA VAL 52 HA VAL 52 10.660 6.817 1.040 412 HB VAL 52 HB VAL 52 11.847 4.222 2.048 413 HG11 VAL 52 HG11 VAL 52 9.893 4.703 -0.200 414 HG12 VAL 52 HG12 VAL 52 10.650 3.160 0.193 415 HG13 VAL 52 HG13 VAL 52 9.534 3.911 1.334 416 HG21 VAL 52 HG21 VAL 52 12.210 5.666 -0.574 417 HG22 VAL 52 HG22 VAL 52 13.403 5.559 0.720 418 HG23 VAL 52 HG23 VAL 52 12.909 4.102 -0.146 419 H ALA 53 H ALA 53 11.146 5.309 4.208 420 HA ALA 53 HA ALA 53 8.553 4.435 4.694 421 HB1 ALA 53 HB1 ALA 53 10.451 3.804 6.086 422 HB2 ALA 53 HB2 ALA 53 10.570 5.456 6.690 423 HB3 ALA 53 HB3 ALA 53 9.150 4.479 7.067 424 H ASP 54 H ASP 54 10.033 7.567 5.542 425 HA ASP 54 HA ASP 54 7.696 8.574 6.801 426 HB2 ASP 54 HB2 ASP 54 9.962 9.456 7.254 427 HB3 ASP 54 HB3 ASP 54 10.006 10.135 5.629 428 H TYR 55 H TYR 55 8.923 8.765 3.504 429 HA TYR 55 HA TYR 55 7.208 10.726 2.505 430 HB2 TYR 55 HB2 TYR 55 9.102 9.837 1.219 431 HB3 TYR 55 HB3 TYR 55 8.286 8.285 1.073 432 HD1 TYR 55 HD1 TYR 55 8.184 11.832 0.043 433 HD2 TYR 55 HD2 TYR 55 6.605 7.930 -0.584 434 HE1 TYR 55 HE1 TYR 55 7.092 12.610 -2.018 435 HE2 TYR 55 HE2 TYR 55 5.505 8.700 -2.645 436 HH TYR 55 HH TYR 55 4.710 10.821 -3.630 437 H PHE 56 H PHE 56 6.775 7.198 2.548 438 HA PHE 56 HA PHE 56 4.114 7.336 1.546 439 HB2 PHE 56 HB2 PHE 56 5.764 5.135 2.761 440 HB3 PHE 56 HB3 PHE 56 4.074 4.897 2.336 441 HD1 PHE 56 HD1 PHE 56 7.451 5.459 1.044 442 HD2 PHE 56 HD2 PHE 56 3.370 4.805 0.035 443 HE1 PHE 56 HE1 PHE 56 8.106 4.984 -1.282 444 HE2 PHE 56 HE2 PHE 56 4.014 4.327 -2.290 445 HZ PHE 56 HZ PHE 56 6.386 4.415 -2.952 446 H ASN 57 H ASN 57 5.546 7.381 4.716 447 HA ASN 57 HA ASN 57 3.225 6.676 6.195 448 HB2 ASN 57 HB2 ASN 57 5.569 6.542 7.054 449 HB3 ASN 57 HB3 ASN 57 5.611 8.297 7.103 450 HD21 ASN 57 HD21 ASN 57 2.855 6.295 7.950 451 HD22 ASN 57 HD22 ASN 57 2.851 6.706 9.624 452 H ARG 58 H ARG 58 4.563 9.754 5.096 453 HA ARG 58 HA ARG 58 2.693 11.290 6.679 454 HB2 ARG 58 HB2 ARG 58 5.134 11.896 5.959 455 HB3 ARG 58 HB3 ARG 58 4.361 12.455 4.482 456 HG2 ARG 58 HG2 ARG 58 4.659 14.301 6.003 457 HG3 ARG 58 HG3 ARG 58 2.937 13.954 5.821 458 HD2 ARG 58 HD2 ARG 58 3.692 14.392 8.178 459 HD3 ARG 58 HD3 ARG 58 2.851 12.860 7.934 460 HE ARG 58 HE ARG 58 5.788 12.905 7.888 461 HH11 ARG 58 HH11 ARG 58 2.836 12.060 9.583 462 HH12 ARG 58 HH12 ARG 58 3.579 10.798 10.515 463 HH21 ARG 58 HH21 ARG 58 6.777 11.245 9.102 464 HH22 ARG 58 HH22 ARG 58 5.828 10.349 10.254 465 H HIS 59 H HIS 59 3.098 10.402 3.287 466 HA HIS 59 HA HIS 59 1.007 12.191 2.415 467 HB2 HIS 59 HB2 HIS 59 2.607 10.088 0.950 468 HB3 HIS 59 HB3 HIS 59 1.370 11.071 0.180 469 HD1 HIS 59 HD1 HIS 59 2.557 12.705 -1.245 470 HD2 HIS 59 HD2 HIS 59 4.409 12.251 2.459 471 HE1 HIS 59 HE1 HIS 59 4.465 14.344 -1.230 472 HE2 HIS 59 HE2 HIS 59 5.550 14.087 1.030 473 H PHE 60 H PHE 60 1.254 8.854 3.343 474 HA PHE 60 HA PHE 60 -1.613 8.510 2.799 475 HB2 PHE 60 HB2 PHE 60 0.509 6.429 2.184 476 HB3 PHE 60 HB3 PHE 60 -1.224 6.210 2.016 477 HD1 PHE 60 HD1 PHE 60 1.752 7.831 0.615 478 HD2 PHE 60 HD2 PHE 60 -2.401 7.053 0.116 479 HE1 PHE 60 HE1 PHE 60 1.898 8.574 -1.728 480 HE2 PHE 60 HE2 PHE 60 -2.260 7.787 -2.227 481 HZ PHE 60 HZ PHE 60 -0.110 8.551 -3.151 482 H VAL 61 H VAL 61 -2.665 7.062 4.262 483 HA VAL 61 HA VAL 61 -1.215 6.423 6.677 484 HB VAL 61 HB VAL 61 -3.548 7.004 6.949 485 HG11 VAL 61 HG11 VAL 61 -4.196 4.614 5.233 486 HG12 VAL 61 HG12 VAL 61 -5.362 5.642 6.065 487 HG13 VAL 61 HG13 VAL 61 -4.375 6.304 4.764 488 HG21 VAL 61 HG21 VAL 61 -3.103 4.067 7.487 489 HG22 VAL 61 HG22 VAL 61 -2.636 5.402 8.541 490 HG23 VAL 61 HG23 VAL 61 -4.341 5.072 8.238 491 H ASN 62 H ASN 62 -0.200 4.579 7.109 492 HA ASN 62 HA ASN 62 0.101 2.692 4.957 493 HB2 ASN 62 HB2 ASN 62 1.323 2.651 7.726 494 HB3 ASN 62 HB3 ASN 62 1.832 1.678 6.352 495 HD21 ASN 62 HD21 ASN 62 1.484 3.862 4.445 496 HD22 ASN 62 HD22 ASN 62 2.794 4.953 4.714 497 H LEU 63 H LEU 63 -1.730 1.503 4.712 498 HA LEU 63 HA LEU 63 -2.792 0.096 7.063 499 HB2 LEU 63 HB2 LEU 63 -4.414 1.446 5.845 500 HB3 LEU 63 HB3 LEU 63 -4.003 0.630 4.349 501 HG LEU 63 HG LEU 63 -4.855 -1.499 5.371 502 HD11 LEU 63 HD11 LEU 63 -5.877 0.374 7.496 503 HD12 LEU 63 HD12 LEU 63 -6.322 -1.323 7.316 504 HD13 LEU 63 HD13 LEU 63 -4.660 -0.884 7.710 505 HD21 LEU 63 HD21 LEU 63 -7.201 -0.953 5.028 506 HD22 LEU 63 HD22 LEU 63 -6.833 0.766 5.154 507 HD23 LEU 63 HD23 LEU 63 -6.192 -0.177 3.809 508 H LYS 64 H LYS 64 -2.424 -2.008 7.277 509 HA LYS 64 HA LYS 64 -1.463 -3.491 4.924 510 HB2 LYS 64 HB2 LYS 64 0.117 -3.345 6.826 511 HB3 LYS 64 HB3 LYS 64 -1.071 -4.134 7.854 512 HG2 LYS 64 HG2 LYS 64 -0.946 -6.143 6.525 513 HG3 LYS 64 HG3 LYS 64 0.159 -5.358 5.395 514 HD2 LYS 64 HD2 LYS 64 1.827 -5.133 7.141 515 HD3 LYS 64 HD3 LYS 64 0.716 -5.831 8.323 516 HE2 LYS 64 HE2 LYS 64 0.699 -7.927 7.101 517 HE3 LYS 64 HE3 LYS 64 1.742 -7.233 5.860 518 HZ1 LYS 64 HZ1 LYS 64 3.496 -7.002 7.468 519 HZ2 LYS 64 HZ2 LYS 64 2.495 -7.583 8.712 520 HZ3 LYS 64 HZ3 LYS 64 2.961 -8.614 7.448 521 H MET 65 H MET 65 -2.515 -5.265 4.237 522 HA MET 65 HA MET 65 -4.785 -6.237 5.831 523 HB2 MET 65 HB2 MET 65 -4.786 -5.252 3.007 524 HB3 MET 65 HB3 MET 65 -5.880 -6.549 3.460 525 HG2 MET 65 HG2 MET 65 -5.764 -3.859 4.799 526 HG3 MET 65 HG3 MET 65 -6.908 -4.314 3.538 527 HE1 MET 65 HE1 MET 65 -8.032 -3.146 6.163 528 HE2 MET 65 HE2 MET 65 -9.052 -3.811 4.886 529 HE3 MET 65 HE3 MET 65 -9.309 -4.297 6.562 530 H ASP 66 H ASP 66 -5.481 -8.378 5.299 531 HA ASP 66 HA ASP 66 -3.413 -10.038 4.025 532 HB2 ASP 66 HB2 ASP 66 -4.527 -10.533 6.394 533 HB3 ASP 66 HB3 ASP 66 -5.801 -11.191 5.367 534 H MET 67 H MET 67 -4.143 -11.677 2.523 535 HA MET 67 HA MET 67 -6.403 -10.741 0.923 536 HB2 MET 67 HB2 MET 67 -3.995 -12.399 0.469 537 HB3 MET 67 HB3 MET 67 -5.362 -12.592 -0.627 538 HG2 MET 67 HG2 MET 67 -5.265 -10.137 -1.050 539 HG3 MET 67 HG3 MET 67 -3.788 -10.081 -0.090 540 HE1 MET 67 HE1 MET 67 -2.531 -9.596 -3.774 541 HE2 MET 67 HE2 MET 67 -4.023 -8.991 -3.050 542 HE3 MET 67 HE3 MET 67 -2.513 -8.938 -2.138 543 H GLU 68 H GLU 68 -5.748 -13.025 3.264 544 HA GLU 68 HA GLU 68 -7.844 -14.839 2.264 545 HB2 GLU 68 HB2 GLU 68 -5.611 -15.877 2.512 546 HB3 GLU 68 HB3 GLU 68 -5.594 -15.413 4.207 547 HG2 GLU 68 HG2 GLU 68 -6.179 -17.690 4.139 548 HG3 GLU 68 HG3 GLU 68 -7.658 -16.804 4.500 549 H LYS 69 H LYS 69 -6.573 -13.126 5.067 550 HA LYS 69 HA LYS 69 -8.818 -14.009 6.703 551 HB2 LYS 69 HB2 LYS 69 -6.508 -12.236 7.499 552 HB3 LYS 69 HB3 LYS 69 -7.614 -13.083 8.569 553 HG2 LYS 69 HG2 LYS 69 -5.620 -14.388 6.725 554 HG3 LYS 69 HG3 LYS 69 -5.424 -14.164 8.463 555 HD2 LYS 69 HD2 LYS 69 -7.381 -15.574 8.864 556 HD3 LYS 69 HD3 LYS 69 -7.582 -15.796 7.123 557 HE2 LYS 69 HE2 LYS 69 -5.411 -16.878 6.992 558 HE3 LYS 69 HE3 LYS 69 -5.148 -16.598 8.713 559 HZ1 LYS 69 HZ1 LYS 69 -7.050 -18.014 9.190 560 HZ2 LYS 69 HZ2 LYS 69 -7.278 -18.302 7.531 561 HZ3 LYS 69 HZ3 LYS 69 -5.872 -18.852 8.304 562 H GLY 70 H GLY 70 -10.641 -12.868 6.620 563 HA2 GLY 70 HA2 GLY 70 -11.893 -11.023 7.332 564 HA3 GLY 70 HA3 GLY 70 -10.459 -10.020 7.196 565 H GLU 71 H GLU 71 -10.437 -8.613 5.607 566 HA GLU 71 HA GLU 71 -12.616 -8.629 3.687 567 HB2 GLU 71 HB2 GLU 71 -10.414 -6.594 4.096 568 HB3 GLU 71 HB3 GLU 71 -11.900 -6.359 3.190 569 HG2 GLU 71 HG2 GLU 71 -11.843 -6.966 6.129 570 HG3 GLU 71 HG3 GLU 71 -11.834 -5.329 5.473 571 H GLY 72 H GLY 72 -9.890 -10.251 3.625 572 HA2 GLY 72 HA2 GLY 72 -8.326 -9.283 1.519 573 HA3 GLY 72 HA3 GLY 72 -8.339 -10.940 2.089 574 H VAL 73 H VAL 73 -10.643 -11.979 1.411 575 HA VAL 73 HA VAL 73 -10.382 -12.431 -1.344 576 HB VAL 73 HB VAL 73 -12.531 -13.643 -1.213 577 HG11 VAL 73 HG11 VAL 73 -11.811 -15.318 0.442 578 HG12 VAL 73 HG12 VAL 73 -10.491 -14.786 -0.600 579 HG13 VAL 73 HG13 VAL 73 -10.612 -14.174 1.051 580 HG21 VAL 73 HG21 VAL 73 -12.603 -12.624 1.626 581 HG22 VAL 73 HG22 VAL 73 -13.727 -12.201 0.334 582 HG23 VAL 73 HG23 VAL 73 -13.673 -13.852 0.951 583 H GLU 74 H GLU 74 -12.359 -10.168 0.430 584 HA GLU 74 HA GLU 74 -14.071 -9.552 -1.773 585 HB2 GLU 74 HB2 GLU 74 -13.602 -8.159 0.860 586 HB3 GLU 74 HB3 GLU 74 -14.814 -7.657 -0.315 587 HG2 GLU 74 HG2 GLU 74 -15.810 -9.936 -0.146 588 HG3 GLU 74 HG3 GLU 74 -14.684 -10.268 1.168 589 H LEU 75 H LEU 75 -11.309 -7.895 -0.233 590 HA LEU 75 HA LEU 75 -11.306 -5.683 -2.002 591 HB2 LEU 75 HB2 LEU 75 -9.001 -6.894 -0.458 592 HB3 LEU 75 HB3 LEU 75 -8.976 -5.328 -1.249 593 HG LEU 75 HG LEU 75 -10.759 -6.100 1.063 594 HD11 LEU 75 HD11 LEU 75 -8.436 -5.847 1.724 595 HD12 LEU 75 HD12 LEU 75 -8.363 -4.276 0.927 596 HD13 LEU 75 HD13 LEU 75 -9.407 -4.505 2.330 597 HD21 LEU 75 HD21 LEU 75 -11.864 -4.511 -0.401 598 HD22 LEU 75 HD22 LEU 75 -11.367 -3.721 1.097 599 HD23 LEU 75 HD23 LEU 75 -10.440 -3.471 -0.383 600 H ARG 76 H ARG 76 -9.772 -8.844 -2.137 601 HA ARG 76 HA ARG 76 -8.185 -8.427 -4.419 602 HB2 ARG 76 HB2 ARG 76 -8.057 -10.379 -2.857 603 HB3 ARG 76 HB3 ARG 76 -9.546 -10.988 -3.563 604 HG2 ARG 76 HG2 ARG 76 -8.466 -11.239 -5.710 605 HG3 ARG 76 HG3 ARG 76 -6.980 -10.537 -5.070 606 HD2 ARG 76 HD2 ARG 76 -6.801 -12.955 -5.138 607 HD3 ARG 76 HD3 ARG 76 -6.808 -12.389 -3.469 608 HE ARG 76 HE ARG 76 -9.369 -13.228 -4.582 609 HH11 ARG 76 HH11 ARG 76 -6.601 -14.015 -2.582 610 HH12 ARG 76 HH12 ARG 76 -7.395 -15.324 -1.766 611 HH21 ARG 76 HH21 ARG 76 -10.410 -14.969 -3.534 612 HH22 ARG 76 HH22 ARG 76 -9.562 -15.878 -2.319 613 H LYS 77 H LYS 77 -11.564 -9.315 -4.017 614 HA LYS 77 HA LYS 77 -12.081 -9.713 -6.811 615 HB2 LYS 77 HB2 LYS 77 -13.380 -10.792 -4.972 616 HB3 LYS 77 HB3 LYS 77 -14.012 -9.212 -4.535 617 HG2 LYS 77 HG2 LYS 77 -15.634 -10.460 -5.820 618 HG3 LYS 77 HG3 LYS 77 -15.096 -9.042 -6.720 619 HD2 LYS 77 HD2 LYS 77 -13.694 -10.377 -8.122 620 HD3 LYS 77 HD3 LYS 77 -13.953 -11.804 -7.117 621 HE2 LYS 77 HE2 LYS 77 -15.273 -11.912 -9.165 622 HE3 LYS 77 HE3 LYS 77 -16.310 -11.824 -7.742 623 HZ1 LYS 77 HZ1 LYS 77 -15.614 -9.536 -9.508 624 HZ2 LYS 77 HZ2 LYS 77 -17.086 -10.381 -9.528 625 HZ3 LYS 77 HZ3 LYS 77 -16.648 -9.477 -8.165 626 H LYS 78 H LYS 78 -12.059 -7.041 -4.617 627 HA LYS 78 HA LYS 78 -13.754 -5.270 -6.035 628 HB2 LYS 78 HB2 LYS 78 -11.666 -4.927 -3.900 629 HB3 LYS 78 HB3 LYS 78 -12.441 -3.532 -4.623 630 HG2 LYS 78 HG2 LYS 78 -13.880 -5.777 -3.233 631 HG3 LYS 78 HG3 LYS 78 -13.478 -4.218 -2.507 632 HD2 LYS 78 HD2 LYS 78 -14.838 -3.077 -4.169 633 HD3 LYS 78 HD3 LYS 78 -15.201 -4.618 -4.946 634 HE2 LYS 78 HE2 LYS 78 -16.321 -5.377 -2.903 635 HE3 LYS 78 HE3 LYS 78 -15.952 -3.836 -2.130 636 HZ1 LYS 78 HZ1 LYS 78 -17.271 -2.738 -3.875 637 HZ2 LYS 78 HZ2 LYS 78 -17.699 -4.262 -4.492 638 HZ3 LYS 78 HZ3 LYS 78 -18.190 -3.804 -2.929 639 H TYR 79 H TYR 79 -10.230 -5.612 -5.899 640 HA TYR 79 HA TYR 79 -9.979 -3.527 -7.947 641 HB2 TYR 79 HB2 TYR 79 -7.922 -4.734 -6.089 642 HB3 TYR 79 HB3 TYR 79 -7.601 -3.459 -7.261 643 HD1 TYR 79 HD1 TYR 79 -9.554 -4.265 -4.204 644 HD2 TYR 79 HD2 TYR 79 -8.050 -1.198 -6.745 645 HE1 TYR 79 HE1 TYR 79 -10.202 -2.576 -2.543 646 HE2 TYR 79 HE2 TYR 79 -8.705 0.498 -5.093 647 HH TYR 79 HH TYR 79 -9.584 -0.286 -1.905 648 H GLY 80 H GLY 80 -10.293 -6.754 -7.910 649 HA2 GLY 80 HA2 GLY 80 -9.955 -8.352 -9.529 650 HA3 GLY 80 HA3 GLY 80 -9.403 -7.058 -10.581 651 H VAL 81 H VAL 81 -8.111 -8.245 -7.514 652 HA VAL 81 HA VAL 81 -5.430 -8.104 -8.530 653 HB VAL 81 HB VAL 81 -6.433 -9.212 -5.900 654 HG11 VAL 81 HG11 VAL 81 -3.660 -8.404 -6.766 655 HG12 VAL 81 HG12 VAL 81 -4.125 -8.882 -5.133 656 HG13 VAL 81 HG13 VAL 81 -4.218 -10.047 -6.453 657 HG21 VAL 81 HG21 VAL 81 -5.339 -6.485 -6.575 658 HG22 VAL 81 HG22 VAL 81 -7.018 -6.864 -6.191 659 HG23 VAL 81 HG23 VAL 81 -5.768 -7.056 -4.962 660 H HIS 82 H HIS 82 -4.354 -9.657 -9.538 661 HA HIS 82 HA HIS 82 -5.105 -12.463 -9.034 662 HB2 HIS 82 HB2 HIS 82 -4.321 -11.217 -11.679 663 HB3 HIS 82 HB3 HIS 82 -4.437 -12.950 -11.401 664 HD1 HIS 82 HD1 HIS 82 -6.883 -13.885 -10.889 665 HD2 HIS 82 HD2 HIS 82 -6.688 -9.954 -12.239 666 HE1 HIS 82 HE1 HIS 82 -9.213 -13.306 -11.645 667 HE2 HIS 82 HE2 HIS 82 -9.010 -11.005 -12.661 668 H ALA 83 H ALA 83 -2.921 -10.415 -8.181 669 HA ALA 83 HA ALA 83 -0.637 -12.179 -8.751 670 HB1 ALA 83 HB1 ALA 83 0.831 -10.246 -8.814 671 HB2 ALA 83 HB2 ALA 83 -0.452 -10.083 -10.014 672 HB3 ALA 83 HB3 ALA 83 -0.536 -9.176 -8.504 673 H TYR 84 H TYR 84 1.243 -11.468 -7.129 674 HA TYR 84 HA TYR 84 0.078 -12.018 -4.520 675 HB2 TYR 84 HB2 TYR 84 2.969 -12.130 -5.389 676 HB3 TYR 84 HB3 TYR 84 2.329 -12.690 -3.848 677 HD1 TYR 84 HD1 TYR 84 0.626 -14.589 -3.886 678 HD2 TYR 84 HD2 TYR 84 3.016 -13.562 -7.249 679 HE1 TYR 84 HE1 TYR 84 0.200 -16.806 -4.856 680 HE2 TYR 84 HE2 TYR 84 2.597 -15.776 -8.231 681 HH TYR 84 HH TYR 84 1.969 -18.060 -7.432 682 HA PRO 85 HA PRO 85 2.360 -8.071 -3.409 683 HB2 PRO 85 HB2 PRO 85 4.177 -6.938 -5.060 684 HB3 PRO 85 HB3 PRO 85 4.567 -8.294 -4.001 685 HG2 PRO 85 HG2 PRO 85 4.309 -8.234 -6.915 686 HG3 PRO 85 HG3 PRO 85 5.061 -9.459 -5.883 687 HD2 PRO 85 HD2 PRO 85 2.419 -9.460 -7.089 688 HD3 PRO 85 HD3 PRO 85 3.248 -10.769 -6.223 689 H THR 86 H THR 86 0.666 -6.665 -3.441 690 HA THR 86 HA THR 86 0.137 -5.218 -5.963 691 HB THR 86 HB THR 86 -2.041 -5.963 -4.014 692 HG1 THR 86 HG1 THR 86 -1.292 -7.934 -4.717 693 HG21 THR 86 HG21 THR 86 -2.073 -5.237 -6.949 694 HG22 THR 86 HG22 THR 86 -3.485 -5.603 -5.959 695 HG23 THR 86 HG23 THR 86 -2.519 -4.168 -5.619 696 H LEU 87 H LEU 87 -0.108 -3.042 -5.783 697 HA LEU 87 HA LEU 87 -0.327 -1.914 -3.070 698 HB2 LEU 87 HB2 LEU 87 1.376 -0.884 -5.340 699 HB3 LEU 87 HB3 LEU 87 1.068 -0.003 -3.860 700 HG LEU 87 HG LEU 87 2.119 -2.065 -2.682 701 HD11 LEU 87 HD11 LEU 87 2.183 -3.536 -4.614 702 HD12 LEU 87 HD12 LEU 87 3.225 -2.395 -5.466 703 HD13 LEU 87 HD13 LEU 87 3.813 -3.215 -4.018 704 HD21 LEU 87 HD21 LEU 87 3.112 0.160 -2.730 705 HD22 LEU 87 HD22 LEU 87 4.344 -1.087 -2.916 706 HD23 LEU 87 HD23 LEU 87 3.798 -0.171 -4.320 707 H LEU 88 H LEU 88 -2.102 -0.712 -2.841 708 HA LEU 88 HA LEU 88 -3.212 0.570 -5.249 709 HB2 LEU 88 HB2 LEU 88 -4.544 -0.813 -2.975 710 HB3 LEU 88 HB3 LEU 88 -5.361 0.561 -3.692 711 HG LEU 88 HG LEU 88 -6.239 -1.378 -4.727 712 HD11 LEU 88 HD11 LEU 88 -5.824 0.470 -6.246 713 HD12 LEU 88 HD12 LEU 88 -4.209 -0.153 -6.586 714 HD13 LEU 88 HD13 LEU 88 -5.631 -1.075 -7.069 715 HD21 LEU 88 HD21 LEU 88 -3.404 -2.231 -5.285 716 HD22 LEU 88 HD22 LEU 88 -4.509 -2.970 -4.126 717 HD23 LEU 88 HD23 LEU 88 -4.858 -3.052 -5.853 718 H PHE 89 H PHE 89 -3.227 2.682 -5.272 719 HA PHE 89 HA PHE 89 -2.903 4.151 -2.755 720 HB2 PHE 89 HB2 PHE 89 -2.635 5.194 -5.586 721 HB3 PHE 89 HB3 PHE 89 -2.141 6.010 -4.105 722 HD1 PHE 89 HD1 PHE 89 -0.317 4.857 -2.700 723 HD2 PHE 89 HD2 PHE 89 -1.139 3.888 -6.759 724 HE1 PHE 89 HE1 PHE 89 1.916 3.850 -2.908 725 HE2 PHE 89 HE2 PHE 89 1.093 2.878 -6.975 726 HZ PHE 89 HZ PHE 89 2.624 2.859 -5.049 727 H ILE 90 H ILE 90 -4.777 4.725 -1.863 728 HA ILE 90 HA ILE 90 -7.050 5.322 -3.644 729 HB ILE 90 HB ILE 90 -7.061 4.310 -0.793 730 HG12 ILE 90 HG12 ILE 90 -6.409 2.592 -2.404 731 HG13 ILE 90 HG13 ILE 90 -8.018 2.260 -1.770 732 HG21 ILE 90 HG21 ILE 90 -8.957 5.789 -1.215 733 HG22 ILE 90 HG22 ILE 90 -9.387 4.835 -2.635 734 HG23 ILE 90 HG23 ILE 90 -9.480 4.115 -1.028 735 HD11 ILE 90 HD11 ILE 90 -9.006 3.163 -3.808 736 HD12 ILE 90 HD12 ILE 90 -7.393 3.496 -4.441 737 HD13 ILE 90 HD13 ILE 90 -7.902 1.832 -4.154 738 H ASN 91 H ASN 91 -8.219 7.191 -3.361 739 HA ASN 91 HA ASN 91 -6.916 9.365 -2.010 740 HB2 ASN 91 HB2 ASN 91 -8.420 9.376 -4.149 741 HB3 ASN 91 HB3 ASN 91 -9.743 9.517 -3.015 742 HD21 ASN 91 HD21 ASN 91 -9.076 11.396 -4.989 743 HD22 ASN 91 HD22 ASN 91 -8.594 12.864 -4.199 744 H SER 92 H SER 92 -8.368 10.846 -0.678 745 HA SER 92 HA SER 92 -8.987 9.435 1.735 746 HB2 SER 92 HB2 SER 92 -9.585 12.337 1.139 747 HB3 SER 92 HB3 SER 92 -9.248 11.596 2.705 748 HG SER 92 HG SER 92 -7.158 11.615 2.295 749 H SER 93 H SER 93 -10.756 10.317 -1.017 750 HA SER 93 HA SER 93 -13.337 10.294 0.334 751 HB2 SER 93 HB2 SER 93 -12.845 10.504 -2.637 752 HB3 SER 93 HB3 SER 93 -14.249 11.058 -1.723 753 HG SER 93 HG SER 93 -12.651 12.702 -2.384 754 H GLY 94 H GLY 94 -11.286 7.967 -0.421 755 HA2 GLY 94 HA2 GLY 94 -11.574 5.687 -0.706 756 HA3 GLY 94 HA3 GLY 94 -13.309 5.959 -0.800 757 H GLU 95 H GLU 95 -11.094 7.671 -2.831 758 HA GLU 95 HA GLU 95 -12.362 6.477 -5.176 759 HB2 GLU 95 HB2 GLU 95 -10.655 8.955 -4.892 760 HB3 GLU 95 HB3 GLU 95 -11.423 8.418 -6.378 761 HG2 GLU 95 HG2 GLU 95 -12.940 9.105 -3.876 762 HG3 GLU 95 HG3 GLU 95 -12.601 10.256 -5.168 763 H VAL 96 H VAL 96 -11.171 5.648 -6.907 764 HA VAL 96 HA VAL 96 -8.621 4.494 -6.178 765 HB VAL 96 HB VAL 96 -10.175 4.281 -8.767 766 HG11 VAL 96 HG11 VAL 96 -7.829 3.807 -9.138 767 HG12 VAL 96 HG12 VAL 96 -7.808 2.701 -7.762 768 HG13 VAL 96 HG13 VAL 96 -8.757 2.308 -9.196 769 HG21 VAL 96 HG21 VAL 96 -9.999 2.394 -6.419 770 HG22 VAL 96 HG22 VAL 96 -11.402 3.360 -6.877 771 HG23 VAL 96 HG23 VAL 96 -10.835 2.070 -7.937 772 H VAL 97 H VAL 97 -6.866 5.736 -6.302 773 HA VAL 97 HA VAL 97 -6.708 7.894 -8.236 774 HB VAL 97 HB VAL 97 -4.716 7.037 -6.127 775 HG11 VAL 97 HG11 VAL 97 -3.639 8.241 -7.944 776 HG12 VAL 97 HG12 VAL 97 -4.831 9.535 -7.817 777 HG13 VAL 97 HG13 VAL 97 -3.701 9.242 -6.493 778 HG21 VAL 97 HG21 VAL 97 -5.534 8.998 -4.891 779 HG22 VAL 97 HG22 VAL 97 -6.761 9.256 -6.129 780 HG23 VAL 97 HG23 VAL 97 -6.799 7.796 -5.141 781 H TYR 98 H TYR 98 -4.679 5.095 -7.355 782 HA TYR 98 HA TYR 98 -3.988 4.661 -10.132 783 HB2 TYR 98 HB2 TYR 98 -2.401 6.436 -9.196 784 HB3 TYR 98 HB3 TYR 98 -1.763 5.173 -8.152 785 HD1 TYR 98 HD1 TYR 98 -2.194 6.186 -11.685 786 HD2 TYR 98 HD2 TYR 98 -0.155 3.620 -8.970 787 HE1 TYR 98 HE1 TYR 98 -0.637 5.540 -13.475 788 HE2 TYR 98 HE2 TYR 98 1.413 2.974 -10.753 789 HH TYR 98 HH TYR 98 1.456 2.902 -13.253 790 H ARG 99 H ARG 99 -3.890 2.527 -10.455 791 HA ARG 99 HA ARG 99 -3.605 0.769 -8.135 792 HB2 ARG 99 HB2 ARG 99 -4.508 -0.984 -9.497 793 HB3 ARG 99 HB3 ARG 99 -5.500 0.442 -9.759 794 HG2 ARG 99 HG2 ARG 99 -4.270 0.877 -11.854 795 HG3 ARG 99 HG3 ARG 99 -3.360 -0.613 -11.597 796 HD2 ARG 99 HD2 ARG 99 -5.138 -1.085 -13.118 797 HD3 ARG 99 HD3 ARG 99 -5.526 -1.846 -11.575 798 HE ARG 99 HE ARG 99 -6.643 0.799 -12.110 799 HH11 ARG 99 HH11 ARG 99 -7.126 -2.663 -11.849 800 HH12 ARG 99 HH12 ARG 99 -8.857 -2.543 -11.838 801 HH21 ARG 99 HH21 ARG 99 -8.925 0.952 -12.076 802 HH22 ARG 99 HH22 ARG 99 -9.882 -0.501 -11.958 803 H LEU 100 H LEU 100 -1.993 -0.818 -8.004 804 HA LEU 100 HA LEU 100 0.088 -0.719 -10.069 805 HB2 LEU 100 HB2 LEU 100 0.641 0.795 -8.132 806 HB3 LEU 100 HB3 LEU 100 0.683 -0.635 -7.113 807 HG LEU 100 HG LEU 100 2.512 -1.544 -8.535 808 HD11 LEU 100 HD11 LEU 100 2.428 1.196 -9.793 809 HD12 LEU 100 HD12 LEU 100 3.679 -0.021 -10.050 810 HD13 LEU 100 HD13 LEU 100 2.028 -0.329 -10.583 811 HD21 LEU 100 HD21 LEU 100 3.023 -0.408 -6.455 812 HD22 LEU 100 HD22 LEU 100 4.246 -0.033 -7.668 813 HD23 LEU 100 HD23 LEU 100 3.001 1.153 -7.275 814 H VAL 101 H VAL 101 0.032 -2.704 -10.847 815 HA VAL 101 HA VAL 101 -0.170 -4.985 -9.006 816 HB VAL 101 HB VAL 101 -0.376 -4.921 -12.032 817 HG11 VAL 101 HG11 VAL 101 -0.868 -7.171 -10.086 818 HG12 VAL 101 HG12 VAL 101 -1.200 -7.225 -11.817 819 HG13 VAL 101 HG13 VAL 101 0.458 -7.058 -11.241 820 HG21 VAL 101 HG21 VAL 101 -2.527 -5.197 -9.935 821 HG22 VAL 101 HG22 VAL 101 -2.268 -3.808 -10.991 822 HG23 VAL 101 HG23 VAL 101 -2.766 -5.355 -11.674 823 H GLY 102 H GLY 102 1.756 -5.622 -8.293 824 HA2 GLY 102 HA2 GLY 102 3.868 -6.651 -8.583 825 HA3 GLY 102 HA3 GLY 102 3.939 -5.988 -10.212 826 H ALA 103 H ALA 103 5.868 -5.849 -7.935 827 HA ALA 103 HA ALA 103 5.968 -2.918 -7.682 828 HB1 ALA 103 HB1 ALA 103 5.390 -3.965 -5.551 829 HB2 ALA 103 HB2 ALA 103 6.857 -4.940 -5.630 830 HB3 ALA 103 HB3 ALA 103 6.971 -3.188 -5.479 831 H GLU 104 H GLU 104 7.807 -1.928 -8.180 832 HA GLU 104 HA GLU 104 10.052 -3.552 -9.117 833 HB2 GLU 104 HB2 GLU 104 9.477 -0.592 -9.399 834 HB3 GLU 104 HB3 GLU 104 10.853 -1.428 -10.108 835 HG2 GLU 104 HG2 GLU 104 9.494 -2.636 -11.593 836 HG3 GLU 104 HG3 GLU 104 8.025 -2.224 -10.709 837 H ASP 105 H ASP 105 12.225 -2.077 -8.726 838 HA ASP 105 HA ASP 105 12.695 -2.316 -5.925 839 HB2 ASP 105 HB2 ASP 105 14.380 -1.335 -8.218 840 HB3 ASP 105 HB3 ASP 105 14.946 -1.221 -6.553 841 H ALA 106 H ALA 106 13.923 -0.467 -4.788 842 HA ALA 106 HA ALA 106 11.999 1.268 -3.942 843 HB1 ALA 106 HB1 ALA 106 14.959 1.760 -3.749 844 HB2 ALA 106 HB2 ALA 106 13.708 2.455 -2.721 845 HB3 ALA 106 HB3 ALA 106 14.020 0.720 -2.680 846 HA PRO 107 HA PRO 107 13.919 5.002 -6.428 847 HB2 PRO 107 HB2 PRO 107 15.006 3.616 -8.807 848 HB3 PRO 107 HB3 PRO 107 15.673 4.972 -7.891 849 HG2 PRO 107 HG2 PRO 107 16.736 2.530 -7.704 850 HG3 PRO 107 HG3 PRO 107 16.624 3.596 -6.291 851 HD2 PRO 107 HD2 PRO 107 14.917 1.256 -7.044 852 HD3 PRO 107 HD3 PRO 107 15.519 1.743 -5.448 853 H GLU 108 H GLU 108 13.042 2.267 -8.555 854 HA GLU 108 HA GLU 108 11.517 3.945 -10.280 855 HB2 GLU 108 HB2 GLU 108 11.747 0.943 -10.107 856 HB3 GLU 108 HB3 GLU 108 10.894 1.805 -11.378 857 HG2 GLU 108 HG2 GLU 108 13.052 2.996 -11.866 858 HG3 GLU 108 HG3 GLU 108 13.831 1.859 -10.770 859 H LEU 109 H LEU 109 10.790 1.980 -7.490 860 HA LEU 109 HA LEU 109 7.971 1.900 -7.790 861 HB2 LEU 109 HB2 LEU 109 9.279 0.538 -6.165 862 HB3 LEU 109 HB3 LEU 109 9.580 1.986 -5.235 863 HG LEU 109 HG LEU 109 7.125 2.223 -4.885 864 HD11 LEU 109 HD11 LEU 109 5.700 0.278 -5.334 865 HD12 LEU 109 HD12 LEU 109 6.333 1.002 -6.813 866 HD13 LEU 109 HD13 LEU 109 7.039 -0.489 -6.190 867 HD21 LEU 109 HD21 LEU 109 8.530 1.203 -3.188 868 HD22 LEU 109 HD22 LEU 109 6.951 0.418 -3.240 869 HD23 LEU 109 HD23 LEU 109 8.353 -0.371 -3.965 870 H LEU 110 H LEU 110 10.128 4.053 -6.019 871 HA LEU 110 HA LEU 110 8.255 5.891 -5.069 872 HB2 LEU 110 HB2 LEU 110 10.607 5.783 -4.345 873 HB3 LEU 110 HB3 LEU 110 11.110 6.394 -5.908 874 HG LEU 110 HG LEU 110 9.878 8.504 -5.434 875 HD11 LEU 110 HD11 LEU 110 8.249 7.652 -3.855 876 HD12 LEU 110 HD12 LEU 110 9.532 7.272 -2.706 877 HD13 LEU 110 HD13 LEU 110 9.191 8.951 -3.121 878 HD21 LEU 110 HD21 LEU 110 12.267 8.362 -5.040 879 HD22 LEU 110 HD22 LEU 110 11.500 9.361 -3.804 880 HD23 LEU 110 HD23 LEU 110 11.982 7.706 -3.427 881 H LYS 111 H LYS 111 9.843 5.638 -8.183 882 HA LYS 111 HA LYS 111 9.025 8.150 -9.194 883 HB2 LYS 111 HB2 LYS 111 10.851 6.714 -10.142 884 HB3 LYS 111 HB3 LYS 111 9.608 5.639 -10.769 885 HG2 LYS 111 HG2 LYS 111 8.699 7.502 -12.093 886 HG3 LYS 111 HG3 LYS 111 10.014 8.525 -11.510 887 HD2 LYS 111 HD2 LYS 111 11.623 6.892 -12.475 888 HD3 LYS 111 HD3 LYS 111 10.254 6.025 -13.176 889 HE2 LYS 111 HE2 LYS 111 9.617 8.079 -14.385 890 HE3 LYS 111 HE3 LYS 111 11.046 8.881 -13.734 891 HZ1 LYS 111 HZ1 LYS 111 11.638 8.143 -15.863 892 HZ2 LYS 111 HZ2 LYS 111 12.354 7.026 -14.807 893 HZ3 LYS 111 HZ3 LYS 111 10.935 6.618 -15.639 894 H LYS 112 H LYS 112 7.612 4.905 -9.359 895 HA LYS 112 HA LYS 112 5.550 5.577 -11.165 896 HB2 LYS 112 HB2 LYS 112 5.894 3.293 -9.236 897 HB3 LYS 112 HB3 LYS 112 4.486 3.434 -10.281 898 HG2 LYS 112 HG2 LYS 112 7.343 3.307 -11.232 899 HG3 LYS 112 HG3 LYS 112 6.213 1.953 -11.208 900 HD2 LYS 112 HD2 LYS 112 4.758 3.088 -12.772 901 HD3 LYS 112 HD3 LYS 112 5.779 4.525 -12.725 902 HE2 LYS 112 HE2 LYS 112 6.179 3.202 -14.742 903 HE3 LYS 112 HE3 LYS 112 7.614 3.273 -13.722 904 HZ1 LYS 112 HZ1 LYS 112 7.199 1.048 -14.608 905 HZ2 LYS 112 HZ2 LYS 112 7.136 1.068 -12.911 906 HZ3 LYS 112 HZ3 LYS 112 5.699 1.005 -13.813 907 H VAL 113 H VAL 113 5.601 5.451 -7.606 908 HA VAL 113 HA VAL 113 2.840 6.018 -7.323 909 HB VAL 113 HB VAL 113 4.044 5.069 -5.450 910 HG11 VAL 113 HG11 VAL 113 6.225 6.080 -5.769 911 HG12 VAL 113 HG12 VAL 113 5.576 7.661 -5.332 912 HG13 VAL 113 HG13 VAL 113 5.643 6.373 -4.130 913 HG21 VAL 113 HG21 VAL 113 3.243 6.510 -3.654 914 HG22 VAL 113 HG22 VAL 113 3.074 7.847 -4.793 915 HG23 VAL 113 HG23 VAL 113 2.063 6.411 -4.963 916 H LYS 114 H LYS 114 5.703 8.081 -7.499 917 HA LYS 114 HA LYS 114 4.388 10.533 -6.994 918 HB2 LYS 114 HB2 LYS 114 6.880 10.116 -6.956 919 HB3 LYS 114 HB3 LYS 114 6.829 10.147 -8.713 920 HG2 LYS 114 HG2 LYS 114 5.693 12.445 -8.404 921 HG3 LYS 114 HG3 LYS 114 6.366 12.368 -6.775 922 HD2 LYS 114 HD2 LYS 114 7.900 12.163 -9.353 923 HD3 LYS 114 HD3 LYS 114 7.855 13.558 -8.279 924 HE2 LYS 114 HE2 LYS 114 8.940 12.285 -6.525 925 HE3 LYS 114 HE3 LYS 114 8.898 10.832 -7.525 926 HZ1 LYS 114 HZ1 LYS 114 11.073 11.856 -7.607 927 HZ2 LYS 114 HZ2 LYS 114 10.328 11.952 -9.129 928 HZ3 LYS 114 HZ3 LYS 114 10.400 13.324 -8.132 929 H LEU 115 H LEU 115 5.187 8.797 -9.966 930 HA LEU 115 HA LEU 115 4.308 10.753 -11.788 931 HB2 LEU 115 HB2 LEU 115 5.800 8.800 -12.270 932 HB3 LEU 115 HB3 LEU 115 4.387 7.765 -12.193 933 HG LEU 115 HG LEU 115 3.413 9.071 -14.095 934 HD11 LEU 115 HD11 LEU 115 6.185 10.249 -14.209 935 HD12 LEU 115 HD12 LEU 115 4.928 10.449 -15.429 936 HD13 LEU 115 HD13 LEU 115 4.702 11.119 -13.812 937 HD21 LEU 115 HD21 LEU 115 6.070 7.735 -14.590 938 HD22 LEU 115 HD22 LEU 115 4.513 6.921 -14.432 939 HD23 LEU 115 HD23 LEU 115 4.806 8.006 -15.792 940 H GLY 116 H GLY 116 2.613 8.226 -10.062 941 HA2 GLY 116 HA2 GLY 116 0.229 8.338 -11.638 942 HA3 GLY 116 HA3 GLY 116 0.400 7.578 -10.064 943 H VAL 117 H VAL 117 1.174 9.755 -8.523 944 HA VAL 117 HA VAL 117 -1.394 10.956 -8.112 945 HB VAL 117 HB VAL 117 1.218 11.562 -6.711 946 HG11 VAL 117 HG11 VAL 117 -0.458 13.317 -6.418 947 HG12 VAL 117 HG12 VAL 117 -1.626 12.113 -5.872 948 HG13 VAL 117 HG13 VAL 117 -0.181 12.438 -4.915 949 HG21 VAL 117 HG21 VAL 117 0.669 9.220 -6.471 950 HG22 VAL 117 HG22 VAL 117 0.368 10.058 -4.948 951 HG23 VAL 117 HG23 VAL 117 -0.981 9.625 -5.999 952 H GLU 118 H GLU 118 1.792 12.128 -9.169 953 HA GLU 118 HA GLU 118 0.952 14.843 -9.436 954 HB2 GLU 118 HB2 GLU 118 3.329 14.083 -9.125 955 HB3 GLU 118 HB3 GLU 118 3.296 13.476 -10.773 956 HG2 GLU 118 HG2 GLU 118 2.915 15.728 -11.608 957 HG3 GLU 118 HG3 GLU 118 2.916 16.349 -9.957 958 H SER 119 H SER 119 -0.377 15.589 -10.941 959 HA SER 119 HA SER 119 -1.143 13.942 -13.154 960 HB2 SER 119 HB2 SER 119 -1.989 16.749 -12.406 961 HB3 SER 119 HB3 SER 119 -2.746 15.753 -13.651 962 HG SER 119 HG SER 119 -2.719 14.221 -11.570 963 H GLU 120 H GLU 120 0.161 13.760 -14.810 964 HA GLU 120 HA GLU 120 0.578 16.042 -16.494 965 HB2 GLU 120 HB2 GLU 120 2.573 16.163 -15.023 966 HB3 GLU 120 HB3 GLU 120 2.998 14.522 -15.486 967 HG2 GLU 120 HG2 GLU 120 4.315 16.192 -16.686 968 HG3 GLU 120 HG3 GLU 120 3.332 15.214 -17.775 969 H GLY 121 H GLY 121 1.748 12.711 -15.953 970 HA2 GLY 121 HA2 GLY 121 0.131 11.223 -17.377 971 HA3 GLY 121 HA3 GLY 121 0.958 12.041 -18.694 Start of MODEL 10 1 H ALA 1 H ALA 1 16.393 -9.424 14.958 2 HA ALA 1 HA ALA 1 16.356 -8.068 13.033 3 HB1 ALA 1 HB1 ALA 1 14.965 -9.595 11.677 4 HB2 ALA 1 HB2 ALA 1 13.547 -9.066 12.581 5 HB3 ALA 1 HB3 ALA 1 14.434 -7.916 11.580 6 H GLN 2 H GLN 2 16.516 -6.375 14.407 7 HA GLN 2 HA GLN 2 14.187 -5.652 16.028 8 HB2 GLN 2 HB2 GLN 2 16.539 -5.815 16.982 9 HB3 GLN 2 HB3 GLN 2 16.920 -4.363 16.067 10 HG2 GLN 2 HG2 GLN 2 16.351 -4.007 18.477 11 HG3 GLN 2 HG3 GLN 2 15.405 -3.060 17.330 12 HE21 GLN 2 HE21 GLN 2 13.231 -3.439 17.120 13 HE22 GLN 2 HE22 GLN 2 12.337 -4.461 18.194 14 H ALA 3 H ALA 3 15.033 -5.130 13.003 15 HA ALA 3 HA ALA 3 13.809 -2.462 12.973 16 HB1 ALA 3 HB1 ALA 3 16.093 -3.339 11.205 17 HB2 ALA 3 HB2 ALA 3 15.245 -1.796 11.120 18 HB3 ALA 3 HB3 ALA 3 16.202 -2.197 12.545 19 H ASP 4 H ASP 4 11.866 -2.779 12.132 20 HA ASP 4 HA ASP 4 11.433 -4.973 10.259 21 HB2 ASP 4 HB2 ASP 4 9.067 -4.664 10.735 22 HB3 ASP 4 HB3 ASP 4 9.974 -4.752 12.242 23 H GLY 5 H GLY 5 11.967 -1.652 10.120 24 HA2 GLY 5 HA2 GLY 5 12.064 -0.333 8.200 25 HA3 GLY 5 HA3 GLY 5 11.213 -1.593 7.322 26 H ILE 6 H ILE 6 9.581 -0.475 6.412 27 HA ILE 6 HA ILE 6 8.110 1.584 7.676 28 HB ILE 6 HB ILE 6 7.247 -0.179 5.372 29 HG12 ILE 6 HG12 ILE 6 8.619 2.523 5.379 30 HG13 ILE 6 HG13 ILE 6 9.360 0.995 4.919 31 HG21 ILE 6 HG21 ILE 6 5.728 1.676 4.824 32 HG22 ILE 6 HG22 ILE 6 5.369 0.972 6.401 33 HG23 ILE 6 HG23 ILE 6 6.232 2.506 6.295 34 HD11 ILE 6 HD11 ILE 6 7.808 0.815 3.037 35 HD12 ILE 6 HD12 ILE 6 7.082 2.353 3.499 36 HD13 ILE 6 HD13 ILE 6 8.761 2.297 2.964 37 H ALA 7 H ALA 7 6.785 1.389 9.330 38 HA ALA 7 HA ALA 7 5.675 -1.190 10.029 39 HB1 ALA 7 HB1 ALA 7 5.423 1.477 11.416 40 HB2 ALA 7 HB2 ALA 7 4.889 -0.076 12.057 41 HB3 ALA 7 HB3 ALA 7 6.606 0.221 11.785 42 H PHE 8 H PHE 8 4.139 -1.610 8.449 43 HA PHE 8 HA PHE 8 2.055 0.217 7.800 44 HB2 PHE 8 HB2 PHE 8 2.321 -2.767 7.403 45 HB3 PHE 8 HB3 PHE 8 0.974 -1.818 6.794 46 HD1 PHE 8 HD1 PHE 8 1.281 -0.247 4.962 47 HD2 PHE 8 HD2 PHE 8 4.494 -2.650 6.380 48 HE1 PHE 8 HE1 PHE 8 2.555 0.255 2.917 49 HE2 PHE 8 HE2 PHE 8 5.773 -2.150 4.338 50 HZ PHE 8 HZ PHE 8 4.804 -0.699 2.604 51 H ARG 9 H ARG 9 0.018 0.390 8.632 52 HA ARG 9 HA ARG 9 -0.307 -0.512 11.341 53 HB2 ARG 9 HB2 ARG 9 -2.292 0.936 9.579 54 HB3 ARG 9 HB3 ARG 9 -2.326 0.823 11.335 55 HG2 ARG 9 HG2 ARG 9 -0.274 2.117 11.477 56 HG3 ARG 9 HG3 ARG 9 -0.191 2.200 9.718 57 HD2 ARG 9 HD2 ARG 9 -2.436 3.328 9.777 58 HD3 ARG 9 HD3 ARG 9 -2.259 3.428 11.528 59 HE ARG 9 HE ARG 9 -0.148 4.565 9.845 60 HH11 ARG 9 HH11 ARG 9 -2.880 5.085 11.990 61 HH12 ARG 9 HH12 ARG 9 -2.483 6.752 12.302 62 HH21 ARG 9 HH21 ARG 9 0.350 6.760 10.209 63 HH22 ARG 9 HH22 ARG 9 -0.620 7.692 11.309 64 H GLU 10 H GLU 10 -2.123 -1.703 12.139 65 HA GLU 10 HA GLU 10 -3.423 -3.445 10.140 66 HB2 GLU 10 HB2 GLU 10 -1.711 -4.691 11.416 67 HB3 GLU 10 HB3 GLU 10 -2.490 -4.217 12.917 68 HG2 GLU 10 HG2 GLU 10 -3.150 -6.432 12.503 69 HG3 GLU 10 HG3 GLU 10 -4.542 -5.427 12.107 70 H LEU 11 H LEU 11 -5.340 -2.333 10.068 71 HA LEU 11 HA LEU 11 -6.999 -2.361 12.455 72 HB2 LEU 11 HB2 LEU 11 -6.262 0.059 10.828 73 HB3 LEU 11 HB3 LEU 11 -7.731 -0.010 11.763 74 HG LEU 11 HG LEU 11 -4.945 -0.258 12.894 75 HD11 LEU 11 HD11 LEU 11 -5.376 1.986 12.076 76 HD12 LEU 11 HD12 LEU 11 -6.894 2.039 12.969 77 HD13 LEU 11 HD13 LEU 11 -5.362 1.962 13.839 78 HD21 LEU 11 HD21 LEU 11 -6.572 -1.480 14.216 79 HD22 LEU 11 HD22 LEU 11 -6.071 -0.019 15.068 80 HD23 LEU 11 HD23 LEU 11 -7.633 -0.072 14.251 81 H SER 12 H SER 12 -9.306 -1.853 11.870 82 HA SER 12 HA SER 12 -10.167 -3.218 9.552 83 HB2 SER 12 HB2 SER 12 -11.743 -1.192 11.160 84 HB3 SER 12 HB3 SER 12 -12.390 -2.494 10.159 85 HG SER 12 HG SER 12 -12.172 -2.776 12.586 86 H PHE 13 H PHE 13 -11.079 -2.406 7.623 87 HA PHE 13 HA PHE 13 -9.655 -0.310 6.457 88 HB2 PHE 13 HB2 PHE 13 -10.702 -2.170 5.205 89 HB3 PHE 13 HB3 PHE 13 -12.277 -1.456 5.495 90 HD1 PHE 13 HD1 PHE 13 -9.043 -0.949 3.801 91 HD2 PHE 13 HD2 PHE 13 -13.089 0.317 4.169 92 HE1 PHE 13 HE1 PHE 13 -8.798 0.413 1.768 93 HE2 PHE 13 HE2 PHE 13 -12.852 1.679 2.134 94 HZ PHE 13 HZ PHE 13 -10.705 1.729 0.933 95 HA PRO 14 HA PRO 14 -13.785 2.449 6.976 96 HB2 PRO 14 HB2 PRO 14 -14.582 1.152 9.543 97 HB3 PRO 14 HB3 PRO 14 -15.592 1.903 8.302 98 HG2 PRO 14 HG2 PRO 14 -15.431 -0.744 8.508 99 HG3 PRO 14 HG3 PRO 14 -15.514 0.050 6.926 100 HD2 PRO 14 HD2 PRO 14 -13.189 -1.218 8.284 101 HD3 PRO 14 HD3 PRO 14 -13.575 -1.103 6.560 102 H GLU 15 H GLU 15 -12.189 1.067 9.828 103 HA GLU 15 HA GLU 15 -11.931 3.395 11.345 104 HB2 GLU 15 HB2 GLU 15 -10.176 0.942 11.200 105 HB3 GLU 15 HB3 GLU 15 -10.025 2.186 12.428 106 HG2 GLU 15 HG2 GLU 15 -12.379 0.372 11.959 107 HG3 GLU 15 HG3 GLU 15 -11.252 0.323 13.314 108 H ALA 16 H ALA 16 -9.674 1.861 9.098 109 HA ALA 16 HA ALA 16 -7.605 3.716 9.442 110 HB1 ALA 16 HB1 ALA 16 -6.652 2.736 7.413 111 HB2 ALA 16 HB2 ALA 16 -7.259 1.490 8.504 112 HB3 ALA 16 HB3 ALA 16 -8.189 1.939 7.075 113 H LEU 17 H LEU 17 -10.335 3.591 7.241 114 HA LEU 17 HA LEU 17 -9.603 5.634 5.466 115 HB2 LEU 17 HB2 LEU 17 -11.520 3.980 5.274 116 HB3 LEU 17 HB3 LEU 17 -12.409 5.011 6.368 117 HG LEU 17 HG LEU 17 -12.231 6.869 4.748 118 HD11 LEU 17 HD11 LEU 17 -10.992 4.778 2.965 119 HD12 LEU 17 HD12 LEU 17 -11.500 6.391 2.461 120 HD13 LEU 17 HD13 LEU 17 -10.187 6.203 3.623 121 HD21 LEU 17 HD21 LEU 17 -14.196 5.400 4.792 122 HD22 LEU 17 HD22 LEU 17 -13.858 6.005 3.170 123 HD23 LEU 17 HD23 LEU 17 -13.426 4.349 3.601 124 H LYS 18 H LYS 18 -11.539 5.730 8.430 125 HA LYS 18 HA LYS 18 -12.135 8.430 8.499 126 HB2 LYS 18 HB2 LYS 18 -13.079 6.700 10.011 127 HB3 LYS 18 HB3 LYS 18 -11.542 6.642 10.864 128 HG2 LYS 18 HG2 LYS 18 -13.171 7.997 12.056 129 HG3 LYS 18 HG3 LYS 18 -11.800 8.970 11.518 130 HD2 LYS 18 HD2 LYS 18 -13.781 10.207 11.069 131 HD3 LYS 18 HD3 LYS 18 -13.157 9.633 9.528 132 HE2 LYS 18 HE2 LYS 18 -14.763 7.763 9.614 133 HE3 LYS 18 HE3 LYS 18 -15.425 8.424 11.108 134 HZ1 LYS 18 HZ1 LYS 18 -15.993 10.456 9.874 135 HZ2 LYS 18 HZ2 LYS 18 -15.431 9.737 8.441 136 HZ3 LYS 18 HZ3 LYS 18 -16.772 9.083 9.248 137 H ARG 19 H ARG 19 -9.359 6.762 9.990 138 HA ARG 19 HA ARG 19 -8.142 9.050 11.053 139 HB2 ARG 19 HB2 ARG 19 -6.980 6.402 10.201 140 HB3 ARG 19 HB3 ARG 19 -6.062 7.635 11.044 141 HG2 ARG 19 HG2 ARG 19 -8.530 6.275 12.092 142 HG3 ARG 19 HG3 ARG 19 -6.870 5.891 12.547 143 HD2 ARG 19 HD2 ARG 19 -6.616 8.230 13.358 144 HD3 ARG 19 HD3 ARG 19 -8.327 8.491 13.018 145 HE ARG 19 HE ARG 19 -8.139 6.243 14.653 146 HH11 ARG 19 HH11 ARG 19 -7.538 9.695 14.849 147 HH12 ARG 19 HH12 ARG 19 -7.753 9.760 16.571 148 HH21 ARG 19 HH21 ARG 19 -8.426 6.330 16.899 149 HH22 ARG 19 HH22 ARG 19 -8.248 7.838 17.745 150 H ALA 20 H ALA 20 -7.851 7.514 7.889 151 HA ALA 20 HA ALA 20 -5.698 9.041 6.902 152 HB1 ALA 20 HB1 ALA 20 -6.425 8.339 4.697 153 HB2 ALA 20 HB2 ALA 20 -6.521 6.989 5.828 154 HB3 ALA 20 HB3 ALA 20 -7.987 7.843 5.346 155 H GLU 21 H GLU 21 -9.161 9.704 7.053 156 HA GLU 21 HA GLU 21 -9.088 11.955 5.325 157 HB2 GLU 21 HB2 GLU 21 -11.170 10.764 5.768 158 HB3 GLU 21 HB3 GLU 21 -11.085 11.207 7.467 159 HG2 GLU 21 HG2 GLU 21 -11.347 13.543 6.904 160 HG3 GLU 21 HG3 GLU 21 -11.346 13.152 5.186 161 H VAL 22 H VAL 22 -8.803 11.572 8.821 162 HA VAL 22 HA VAL 22 -8.851 14.430 9.257 163 HB VAL 22 HB VAL 22 -8.276 12.222 11.232 164 HG11 VAL 22 HG11 VAL 22 -9.075 15.098 11.674 165 HG12 VAL 22 HG12 VAL 22 -8.856 13.879 12.931 166 HG13 VAL 22 HG13 VAL 22 -7.477 14.409 11.967 167 HG21 VAL 22 HG21 VAL 22 -10.617 12.470 11.909 168 HG22 VAL 22 HG22 VAL 22 -10.870 13.624 10.600 169 HG23 VAL 22 HG23 VAL 22 -10.476 11.945 10.231 170 H GLU 23 H GLU 23 -6.435 11.829 9.559 171 HA GLU 23 HA GLU 23 -4.444 13.701 10.509 172 HB2 GLU 23 HB2 GLU 23 -4.340 10.744 9.927 173 HB3 GLU 23 HB3 GLU 23 -2.971 11.668 10.526 174 HG2 GLU 23 HG2 GLU 23 -5.610 11.363 11.935 175 HG3 GLU 23 HG3 GLU 23 -4.142 10.455 12.300 176 H ASP 24 H ASP 24 -5.266 12.126 7.504 177 HA ASP 24 HA ASP 24 -2.887 13.320 6.293 178 HB2 ASP 24 HB2 ASP 24 -2.531 10.887 6.915 179 HB3 ASP 24 HB3 ASP 24 -3.726 10.501 5.680 180 H LYS 25 H LYS 25 -3.908 11.356 4.023 181 HA LYS 25 HA LYS 25 -6.032 13.040 2.979 182 HB2 LYS 25 HB2 LYS 25 -4.803 14.059 1.284 183 HB3 LYS 25 HB3 LYS 25 -3.695 14.078 2.651 184 HG2 LYS 25 HG2 LYS 25 -2.830 11.849 1.615 185 HG3 LYS 25 HG3 LYS 25 -3.544 12.510 0.141 186 HD2 LYS 25 HD2 LYS 25 -1.218 13.170 0.282 187 HD3 LYS 25 HD3 LYS 25 -2.251 14.588 0.488 188 HE2 LYS 25 HE2 LYS 25 -2.001 14.393 2.927 189 HE3 LYS 25 HE3 LYS 25 -0.929 13.015 2.698 190 HZ1 LYS 25 HZ1 LYS 25 0.387 14.926 3.058 191 HZ2 LYS 25 HZ2 LYS 25 0.539 14.531 1.415 192 HZ3 LYS 25 HZ3 LYS 25 -0.452 15.825 1.889 193 H LEU 26 H LEU 26 -3.758 10.386 2.434 194 HA LEU 26 HA LEU 26 -5.834 9.037 0.855 195 HB2 LEU 26 HB2 LEU 26 -2.925 9.278 0.086 196 HB3 LEU 26 HB3 LEU 26 -4.060 8.186 -0.681 197 HG LEU 26 HG LEU 26 -4.284 11.200 -0.685 198 HD11 LEU 26 HD11 LEU 26 -3.650 11.053 -3.025 199 HD12 LEU 26 HD12 LEU 26 -2.381 10.385 -1.999 200 HD13 LEU 26 HD13 LEU 26 -3.460 9.306 -2.883 201 HD21 LEU 26 HD21 LEU 26 -6.450 10.083 -0.818 202 HD22 LEU 26 HD22 LEU 26 -6.030 10.829 -2.358 203 HD23 LEU 26 HD23 LEU 26 -5.865 9.086 -2.148 204 H LEU 27 H LEU 27 -5.958 6.861 1.121 205 HA LEU 27 HA LEU 27 -4.333 5.757 3.286 206 HB2 LEU 27 HB2 LEU 27 -6.793 5.580 3.434 207 HB3 LEU 27 HB3 LEU 27 -6.802 4.652 1.948 208 HG LEU 27 HG LEU 27 -5.488 2.881 3.071 209 HD11 LEU 27 HD11 LEU 27 -5.919 4.543 5.548 210 HD12 LEU 27 HD12 LEU 27 -5.221 2.925 5.488 211 HD13 LEU 27 HD13 LEU 27 -4.375 4.278 4.737 212 HD21 LEU 27 HD21 LEU 27 -8.042 3.642 4.480 213 HD22 LEU 27 HD22 LEU 27 -7.921 2.738 2.973 214 HD23 LEU 27 HD23 LEU 27 -7.303 2.041 4.470 215 H PHE 28 H PHE 28 -2.590 4.695 2.757 216 HA PHE 28 HA PHE 28 -2.316 3.490 0.115 217 HB2 PHE 28 HB2 PHE 28 -0.462 4.861 0.987 218 HB3 PHE 28 HB3 PHE 28 -0.324 3.797 2.381 219 HD1 PHE 28 HD1 PHE 28 0.071 3.969 -1.288 220 HD2 PHE 28 HD2 PHE 28 0.935 1.816 2.279 221 HE1 PHE 28 HE1 PHE 28 1.670 2.567 -2.524 222 HE2 PHE 28 HE2 PHE 28 2.537 0.411 1.051 223 HZ PHE 28 HZ PHE 28 2.905 0.786 -1.356 224 H VAL 29 H VAL 29 -3.142 1.509 -0.079 225 HA VAL 29 HA VAL 29 -3.172 -0.239 2.272 226 HB VAL 29 HB VAL 29 -4.646 -0.597 -0.341 227 HG11 VAL 29 HG11 VAL 29 -4.296 -2.671 0.901 228 HG12 VAL 29 HG12 VAL 29 -5.010 -1.936 2.338 229 HG13 VAL 29 HG13 VAL 29 -5.996 -2.203 0.899 230 HG21 VAL 29 HG21 VAL 29 -6.629 0.189 0.846 231 HG22 VAL 29 HG22 VAL 29 -5.649 0.527 2.273 232 HG23 VAL 29 HG23 VAL 29 -5.385 1.437 0.785 233 H ASP 30 H ASP 30 -1.772 -1.801 2.448 234 HA ASP 30 HA ASP 30 -0.309 -2.754 0.092 235 HB2 ASP 30 HB2 ASP 30 1.162 -2.078 1.856 236 HB3 ASP 30 HB3 ASP 30 0.232 -2.964 3.060 237 H CYS 31 H CYS 31 -1.414 -4.332 -0.876 238 HA CYS 31 HA CYS 31 -2.490 -6.494 0.805 239 HB2 CYS 31 HB2 CYS 31 -3.229 -5.674 -2.009 240 HB3 CYS 31 HB3 CYS 31 -3.878 -7.082 -1.176 241 HG CYS 31 HG CYS 31 -4.579 -4.961 0.964 242 H PHE 32 H PHE 32 -1.919 -8.602 0.383 243 HA PHE 32 HA PHE 32 -0.171 -9.204 -1.838 244 HB2 PHE 32 HB2 PHE 32 1.629 -10.100 -0.379 245 HB3 PHE 32 HB3 PHE 32 1.448 -8.356 -0.234 246 HD1 PHE 32 HD1 PHE 32 0.456 -7.376 1.791 247 HD2 PHE 32 HD2 PHE 32 1.204 -11.554 1.471 248 HE1 PHE 32 HE1 PHE 32 0.232 -7.601 4.234 249 HE2 PHE 32 HE2 PHE 32 0.979 -11.788 3.909 250 HZ PHE 32 HZ PHE 32 0.492 -9.809 5.295 251 H THR 33 H THR 33 0.374 -11.533 -1.894 252 HA THR 33 HA THR 33 -1.778 -13.145 -0.738 253 HB THR 33 HB THR 33 -0.871 -14.930 -2.251 254 HG1 THR 33 HG1 THR 33 1.274 -14.052 -2.401 255 HG21 THR 33 HG21 THR 33 -1.591 -12.323 -3.597 256 HG22 THR 33 HG22 THR 33 -1.670 -13.921 -4.340 257 HG23 THR 33 HG23 THR 33 -2.730 -13.522 -2.988 258 H THR 34 H THR 34 -1.288 -15.131 0.367 259 HA THR 34 HA THR 34 0.960 -14.957 2.125 260 HB THR 34 HB THR 34 -0.857 -17.346 1.727 261 HG1 THR 34 HG1 THR 34 -2.020 -16.235 3.543 262 HG21 THR 34 HG21 THR 34 -0.402 -17.736 4.112 263 HG22 THR 34 HG22 THR 34 1.084 -17.747 3.160 264 HG23 THR 34 HG23 THR 34 0.669 -16.335 4.131 265 H TRP 35 H TRP 35 0.407 -16.263 -0.956 266 HA TRP 35 HA TRP 35 2.263 -18.361 -1.102 267 HB2 TRP 35 HB2 TRP 35 1.395 -16.392 -3.235 268 HB3 TRP 35 HB3 TRP 35 2.293 -17.872 -3.540 269 HD1 TRP 35 HD1 TRP 35 -1.012 -17.156 -1.595 270 HE1 TRP 35 HE1 TRP 35 -2.767 -18.861 -2.388 271 HE3 TRP 35 HE3 TRP 35 1.809 -19.653 -5.036 272 HZ2 TRP 35 HZ2 TRP 35 -2.935 -20.970 -4.251 273 HZ3 TRP 35 HZ3 TRP 35 0.771 -21.496 -6.293 274 HH2 TRP 35 HH2 TRP 35 -1.551 -22.142 -5.907 275 H CYS 36 H CYS 36 4.320 -18.158 -0.475 276 HA CYS 36 HA CYS 36 6.456 -17.411 -0.267 277 HB2 CYS 36 HB2 CYS 36 5.816 -15.854 -2.785 278 HB3 CYS 36 HB3 CYS 36 7.430 -16.166 -2.154 279 HG CYS 36 HG CYS 36 7.165 -18.992 -2.476 280 H GLY 37 H GLY 37 7.590 -14.863 -0.855 281 HA2 GLY 37 HA2 GLY 37 5.879 -13.053 0.734 282 HA3 GLY 37 HA3 GLY 37 7.611 -13.175 1.007 283 HA PRO 38 HA PRO 38 7.000 -11.036 -3.330 284 HB2 PRO 38 HB2 PRO 38 4.237 -10.033 -3.129 285 HB3 PRO 38 HB3 PRO 38 5.037 -10.855 -4.472 286 HG2 PRO 38 HG2 PRO 38 3.151 -12.072 -2.998 287 HG3 PRO 38 HG3 PRO 38 4.539 -12.956 -3.663 288 HD2 PRO 38 HD2 PRO 38 4.082 -11.960 -0.875 289 HD3 PRO 38 HD3 PRO 38 4.778 -13.500 -1.422 290 H CYS 39 H CYS 39 4.893 -9.697 -0.777 291 HA CYS 39 HA CYS 39 6.007 -7.052 -1.108 292 HB2 CYS 39 HB2 CYS 39 3.656 -7.305 -0.459 293 HB3 CYS 39 HB3 CYS 39 4.134 -8.170 0.996 294 HG CYS 39 HG CYS 39 3.301 -5.248 1.105 295 H LYS 40 H LYS 40 6.320 -9.781 1.058 296 HA LYS 40 HA LYS 40 7.812 -8.589 3.103 297 HB2 LYS 40 HB2 LYS 40 7.975 -11.444 2.119 298 HB3 LYS 40 HB3 LYS 40 8.524 -10.860 3.684 299 HG2 LYS 40 HG2 LYS 40 6.205 -10.235 4.231 300 HG3 LYS 40 HG3 LYS 40 5.682 -10.917 2.691 301 HD2 LYS 40 HD2 LYS 40 6.628 -13.100 3.394 302 HD3 LYS 40 HD3 LYS 40 6.997 -12.395 4.969 303 HE2 LYS 40 HE2 LYS 40 4.612 -11.917 5.299 304 HE3 LYS 40 HE3 LYS 40 4.255 -12.648 3.735 305 HZ1 LYS 40 HZ1 LYS 40 3.849 -14.192 5.549 306 HZ2 LYS 40 HZ2 LYS 40 5.112 -14.753 4.565 307 HZ3 LYS 40 HZ3 LYS 40 5.452 -14.040 6.067 308 H ARG 41 H ARG 41 8.729 -9.611 -0.083 309 HA ARG 41 HA ARG 41 11.503 -9.774 0.178 310 HB2 ARG 41 HB2 ARG 41 10.429 -10.366 -1.917 311 HB3 ARG 41 HB3 ARG 41 9.848 -8.718 -2.127 312 HG2 ARG 41 HG2 ARG 41 12.312 -8.042 -2.103 313 HG3 ARG 41 HG3 ARG 41 12.648 -9.757 -2.342 314 HD2 ARG 41 HD2 ARG 41 11.523 -9.780 -4.422 315 HD3 ARG 41 HD3 ARG 41 10.802 -8.194 -4.129 316 HE ARG 41 HE ARG 41 13.725 -8.447 -4.331 317 HH11 ARG 41 HH11 ARG 41 10.699 -7.263 -5.615 318 HH12 ARG 41 HH12 ARG 41 11.439 -6.110 -6.682 319 HH21 ARG 41 HH21 ARG 41 14.725 -6.929 -5.727 320 HH22 ARG 41 HH22 ARG 41 13.736 -5.935 -6.753 321 H LEU 42 H LEU 42 9.414 -6.977 -0.391 322 HA LEU 42 HA LEU 42 11.579 -5.124 -0.542 323 HB2 LEU 42 HB2 LEU 42 8.600 -4.782 -0.281 324 HB3 LEU 42 HB3 LEU 42 9.695 -3.415 -0.254 325 HG LEU 42 HG LEU 42 10.522 -4.186 -2.527 326 HD11 LEU 42 HD11 LEU 42 9.004 -5.589 -3.831 327 HD12 LEU 42 HD12 LEU 42 9.692 -6.469 -2.466 328 HD13 LEU 42 HD13 LEU 42 8.032 -5.876 -2.388 329 HD21 LEU 42 HD21 LEU 42 7.641 -3.348 -2.262 330 HD22 LEU 42 HD22 LEU 42 9.040 -2.276 -2.226 331 HD23 LEU 42 HD23 LEU 42 8.644 -3.161 -3.700 332 H SER 43 H SER 43 9.485 -6.310 1.996 333 HA SER 43 HA SER 43 10.001 -4.421 3.981 334 HB2 SER 43 HB2 SER 43 9.672 -7.396 4.428 335 HB3 SER 43 HB3 SER 43 9.273 -6.093 5.548 336 HG SER 43 HG SER 43 7.434 -5.805 4.564 337 H LYS 44 H LYS 44 11.963 -6.987 2.722 338 HA LYS 44 HA LYS 44 13.763 -7.201 4.897 339 HB2 LYS 44 HB2 LYS 44 13.384 -8.953 3.166 340 HB3 LYS 44 HB3 LYS 44 14.219 -7.936 2.003 341 HG2 LYS 44 HG2 LYS 44 16.269 -8.107 3.252 342 HG3 LYS 44 HG3 LYS 44 15.450 -8.991 4.538 343 HD2 LYS 44 HD2 LYS 44 15.479 -10.025 1.720 344 HD3 LYS 44 HD3 LYS 44 16.832 -10.318 2.808 345 HE2 LYS 44 HE2 LYS 44 15.396 -12.218 2.921 346 HE3 LYS 44 HE3 LYS 44 15.214 -11.325 4.427 347 HZ1 LYS 44 HZ1 LYS 44 13.098 -12.139 3.443 348 HZ2 LYS 44 HZ2 LYS 44 13.132 -10.464 3.698 349 HZ3 LYS 44 HZ3 LYS 44 13.338 -11.091 2.133 350 H VAL 45 H VAL 45 14.222 -5.677 1.660 351 HA VAL 45 HA VAL 45 16.415 -4.128 2.883 352 HB VAL 45 HB VAL 45 16.040 -4.805 -0.036 353 HG11 VAL 45 HG11 VAL 45 18.297 -3.886 -0.314 354 HG12 VAL 45 HG12 VAL 45 17.163 -2.666 0.270 355 HG13 VAL 45 HG13 VAL 45 18.308 -3.414 1.385 356 HG21 VAL 45 HG21 VAL 45 17.972 -6.273 0.264 357 HG22 VAL 45 HG22 VAL 45 18.007 -5.877 1.983 358 HG23 VAL 45 HG23 VAL 45 16.636 -6.756 1.310 359 H VAL 46 H VAL 46 13.858 -3.818 0.410 360 HA VAL 46 HA VAL 46 14.248 -1.134 -0.200 361 HB VAL 46 HB VAL 46 11.710 -2.764 -0.332 362 HG11 VAL 46 HG11 VAL 46 11.147 -0.390 -0.268 363 HG12 VAL 46 HG12 VAL 46 12.288 -0.078 -1.577 364 HG13 VAL 46 HG13 VAL 46 10.857 -1.066 -1.872 365 HG21 VAL 46 HG21 VAL 46 13.546 -3.584 -1.718 366 HG22 VAL 46 HG22 VAL 46 12.240 -2.929 -2.706 367 HG23 VAL 46 HG23 VAL 46 13.707 -1.987 -2.450 368 H PHE 47 H PHE 47 11.979 -2.509 2.187 369 HA PHE 47 HA PHE 47 10.917 0.055 2.883 370 HB2 PHE 47 HB2 PHE 47 10.655 -2.652 4.191 371 HB3 PHE 47 HB3 PHE 47 9.835 -1.211 4.778 372 HD1 PHE 47 HD1 PHE 47 9.724 -0.497 1.528 373 HD2 PHE 47 HD2 PHE 47 8.233 -3.478 4.169 374 HE1 PHE 47 HE1 PHE 47 7.855 -0.918 -0.009 375 HE2 PHE 47 HE2 PHE 47 6.359 -3.907 2.635 376 HZ PHE 47 HZ PHE 47 6.171 -2.625 0.541 377 H LYS 48 H LYS 48 13.877 -1.162 3.504 378 HA LYS 48 HA LYS 48 14.091 -0.087 6.209 379 HB2 LYS 48 HB2 LYS 48 16.107 -1.443 4.415 380 HB3 LYS 48 HB3 LYS 48 16.488 -0.818 6.011 381 HG2 LYS 48 HG2 LYS 48 14.430 -2.935 5.436 382 HG3 LYS 48 HG3 LYS 48 16.079 -3.246 5.978 383 HD2 LYS 48 HD2 LYS 48 14.165 -1.513 7.520 384 HD3 LYS 48 HD3 LYS 48 14.256 -3.257 7.751 385 HE2 LYS 48 HE2 LYS 48 15.617 -2.286 9.424 386 HE3 LYS 48 HE3 LYS 48 16.710 -2.962 8.222 387 HZ1 LYS 48 HZ1 LYS 48 17.309 -0.709 9.067 388 HZ2 LYS 48 HZ2 LYS 48 17.175 -0.811 7.384 389 HZ3 LYS 48 HZ3 LYS 48 15.932 -0.095 8.284 390 H ASP 49 H ASP 49 14.318 0.994 3.030 391 HA ASP 49 HA ASP 49 16.366 2.938 3.278 392 HB2 ASP 49 HB2 ASP 49 15.522 2.297 1.081 393 HB3 ASP 49 HB3 ASP 49 13.925 2.919 1.486 394 H SER 50 H SER 50 16.384 4.840 4.282 395 HA SER 50 HA SER 50 14.308 5.414 6.131 396 HB2 SER 50 HB2 SER 50 16.693 7.113 5.363 397 HB3 SER 50 HB3 SER 50 15.723 7.271 6.830 398 HG SER 50 HG SER 50 17.281 5.008 6.077 399 H LEU 51 H LEU 51 15.201 6.746 3.003 400 HA LEU 51 HA LEU 51 13.691 9.142 3.233 401 HB2 LEU 51 HB2 LEU 51 14.650 7.675 0.777 402 HB3 LEU 51 HB3 LEU 51 14.014 9.305 0.795 403 HG LEU 51 HG LEU 51 16.558 8.388 2.132 404 HD11 LEU 51 HD11 LEU 51 16.101 10.113 -0.299 405 HD12 LEU 51 HD12 LEU 51 17.664 9.776 0.446 406 HD13 LEU 51 HD13 LEU 51 16.739 8.468 -0.295 407 HD21 LEU 51 HD21 LEU 51 16.932 10.744 2.620 408 HD22 LEU 51 HD22 LEU 51 15.368 11.151 1.914 409 HD23 LEU 51 HD23 LEU 51 15.445 10.176 3.381 410 H VAL 52 H VAL 52 13.096 6.095 1.502 411 HA VAL 52 HA VAL 52 10.557 6.804 0.511 412 HB VAL 52 HB VAL 52 11.780 4.091 1.012 413 HG11 VAL 52 HG11 VAL 52 10.058 3.193 -0.494 414 HG12 VAL 52 HG12 VAL 52 9.355 3.859 0.980 415 HG13 VAL 52 HG13 VAL 52 9.273 4.772 -0.527 416 HG21 VAL 52 HG21 VAL 52 11.481 5.804 -1.449 417 HG22 VAL 52 HG22 VAL 52 12.979 5.379 -0.618 418 HG23 VAL 52 HG23 VAL 52 12.051 4.136 -1.457 419 H ALA 53 H ALA 53 11.498 5.000 3.417 420 HA ALA 53 HA ALA 53 8.923 4.411 4.345 421 HB1 ALA 53 HB1 ALA 53 9.962 4.124 6.534 422 HB2 ALA 53 HB2 ALA 53 10.956 3.401 5.269 423 HB3 ALA 53 HB3 ALA 53 11.409 4.956 5.966 424 H ASP 54 H ASP 54 11.040 7.162 5.028 425 HA ASP 54 HA ASP 54 9.357 8.502 6.824 426 HB2 ASP 54 HB2 ASP 54 11.705 9.051 6.634 427 HB3 ASP 54 HB3 ASP 54 11.493 9.554 4.962 428 H TYR 55 H TYR 55 9.553 8.592 3.314 429 HA TYR 55 HA TYR 55 7.814 10.776 2.906 430 HB2 TYR 55 HB2 TYR 55 9.275 9.999 1.130 431 HB3 TYR 55 HB3 TYR 55 8.482 8.429 1.112 432 HD1 TYR 55 HD1 TYR 55 7.897 12.042 0.466 433 HD2 TYR 55 HD2 TYR 55 6.617 8.052 -0.274 434 HE1 TYR 55 HE1 TYR 55 6.332 12.865 -1.242 435 HE2 TYR 55 HE2 TYR 55 5.048 8.868 -1.985 436 HH TYR 55 HH TYR 55 3.866 10.941 -2.566 437 H PHE 56 H PHE 56 7.162 7.275 2.570 438 HA PHE 56 HA PHE 56 4.396 7.612 2.156 439 HB2 PHE 56 HB2 PHE 56 6.118 5.263 2.853 440 HB3 PHE 56 HB3 PHE 56 4.366 5.106 2.865 441 HD1 PHE 56 HD1 PHE 56 3.094 5.646 0.753 442 HD2 PHE 56 HD2 PHE 56 7.323 5.180 0.851 443 HE1 PHE 56 HE1 PHE 56 3.105 5.285 -1.681 444 HE2 PHE 56 HE2 PHE 56 7.341 4.820 -1.583 445 HZ PHE 56 HZ PHE 56 5.232 4.872 -2.852 446 H ASN 57 H ASN 57 6.264 7.270 5.101 447 HA ASN 57 HA ASN 57 4.047 6.647 6.775 448 HB2 ASN 57 HB2 ASN 57 6.870 7.514 7.251 449 HB3 ASN 57 HB3 ASN 57 5.724 7.535 8.583 450 HD21 ASN 57 HD21 ASN 57 7.023 5.954 9.607 451 HD22 ASN 57 HD22 ASN 57 6.932 4.291 9.134 452 H ARG 58 H ARG 58 5.704 9.702 5.994 453 HA ARG 58 HA ARG 58 3.951 11.104 7.841 454 HB2 ARG 58 HB2 ARG 58 6.386 11.644 7.655 455 HB3 ARG 58 HB3 ARG 58 6.068 12.275 6.046 456 HG2 ARG 58 HG2 ARG 58 4.575 13.957 6.970 457 HG3 ARG 58 HG3 ARG 58 4.830 13.311 8.593 458 HD2 ARG 58 HD2 ARG 58 6.230 15.222 8.355 459 HD3 ARG 58 HD3 ARG 58 7.269 13.801 8.306 460 HE ARG 58 HE ARG 58 6.602 15.565 6.064 461 HH11 ARG 58 HH11 ARG 58 8.335 12.793 7.297 462 HH12 ARG 58 HH12 ARG 58 9.449 12.723 5.966 463 HH21 ARG 58 HH21 ARG 58 8.086 15.514 4.327 464 HH22 ARG 58 HH22 ARG 58 9.295 14.262 4.265 465 H HIS 59 H HIS 59 4.336 10.738 4.363 466 HA HIS 59 HA HIS 59 2.583 13.006 3.862 467 HB2 HIS 59 HB2 HIS 59 4.153 11.204 2.038 468 HB3 HIS 59 HB3 HIS 59 2.975 12.359 1.426 469 HD1 HIS 59 HD1 HIS 59 3.554 14.891 1.673 470 HD2 HIS 59 HD2 HIS 59 6.575 12.294 2.870 471 HE1 HIS 59 HE1 HIS 59 5.636 16.286 1.799 472 HE2 HIS 59 HE2 HIS 59 7.481 14.634 2.237 473 H PHE 60 H PHE 60 2.210 9.682 4.342 474 HA PHE 60 HA PHE 60 -0.576 9.887 3.492 475 HB2 PHE 60 HB2 PHE 60 1.216 7.614 2.534 476 HB3 PHE 60 HB3 PHE 60 -0.519 7.742 2.272 477 HD1 PHE 60 HD1 PHE 60 -1.374 9.673 0.864 478 HD2 PHE 60 HD2 PHE 60 2.729 8.559 1.043 479 HE1 PHE 60 HE1 PHE 60 -0.959 10.875 -1.243 480 HE2 PHE 60 HE2 PHE 60 3.150 9.764 -1.061 481 HZ PHE 60 HZ PHE 60 1.305 10.920 -2.206 482 H VAL 61 H VAL 61 -1.713 7.734 4.180 483 HA VAL 61 HA VAL 61 -0.469 6.710 6.651 484 HB VAL 61 HB VAL 61 -3.398 6.781 5.888 485 HG11 VAL 61 HG11 VAL 61 -2.091 5.660 8.364 486 HG12 VAL 61 HG12 VAL 61 -3.825 5.802 8.083 487 HG13 VAL 61 HG13 VAL 61 -2.857 4.720 7.083 488 HG21 VAL 61 HG21 VAL 61 -3.627 8.245 7.830 489 HG22 VAL 61 HG22 VAL 61 -1.885 8.168 8.096 490 HG23 VAL 61 HG23 VAL 61 -2.522 8.931 6.639 491 H ASN 62 H ASN 62 0.347 4.735 6.494 492 HA ASN 62 HA ASN 62 -0.496 3.065 4.250 493 HB2 ASN 62 HB2 ASN 62 1.584 1.729 4.819 494 HB3 ASN 62 HB3 ASN 62 1.850 3.365 4.227 495 HD21 ASN 62 HD21 ASN 62 2.700 4.906 5.593 496 HD22 ASN 62 HD22 ASN 62 3.406 4.500 7.118 497 H LEU 63 H LEU 63 -1.460 1.186 4.441 498 HA LEU 63 HA LEU 63 -1.826 -0.041 7.091 499 HB2 LEU 63 HB2 LEU 63 -3.803 1.307 6.702 500 HB3 LEU 63 HB3 LEU 63 -3.972 0.667 5.081 501 HG LEU 63 HG LEU 63 -4.282 -1.619 6.251 502 HD11 LEU 63 HD11 LEU 63 -4.886 0.258 8.524 503 HD12 LEU 63 HD12 LEU 63 -5.290 -1.458 8.476 504 HD13 LEU 63 HD13 LEU 63 -3.601 -0.949 8.470 505 HD21 LEU 63 HD21 LEU 63 -6.373 0.544 6.409 506 HD22 LEU 63 HD22 LEU 63 -6.034 -0.492 5.023 507 HD23 LEU 63 HD23 LEU 63 -6.684 -1.188 6.506 508 H LYS 64 H LYS 64 -1.525 -2.220 7.013 509 HA LYS 64 HA LYS 64 -1.273 -3.427 4.357 510 HB2 LYS 64 HB2 LYS 64 -0.184 -5.332 5.562 511 HB3 LYS 64 HB3 LYS 64 0.666 -3.803 5.701 512 HG2 LYS 64 HG2 LYS 64 0.789 -4.718 7.834 513 HG3 LYS 64 HG3 LYS 64 -0.528 -3.552 7.953 514 HD2 LYS 64 HD2 LYS 64 -1.138 -5.607 9.077 515 HD3 LYS 64 HD3 LYS 64 -2.146 -5.384 7.647 516 HE2 LYS 64 HE2 LYS 64 -0.682 -6.931 6.408 517 HE3 LYS 64 HE3 LYS 64 0.264 -7.184 7.876 518 HZ1 LYS 64 HZ1 LYS 64 -1.257 -8.965 7.734 519 HZ2 LYS 64 HZ2 LYS 64 -1.873 -7.931 8.931 520 HZ3 LYS 64 HZ3 LYS 64 -2.563 -7.942 7.385 521 H MET 65 H MET 65 -2.306 -5.398 3.821 522 HA MET 65 HA MET 65 -4.369 -6.373 5.628 523 HB2 MET 65 HB2 MET 65 -5.486 -4.577 4.392 524 HB3 MET 65 HB3 MET 65 -5.003 -5.309 2.868 525 HG2 MET 65 HG2 MET 65 -6.368 -7.263 3.366 526 HG3 MET 65 HG3 MET 65 -6.835 -6.553 4.911 527 HE1 MET 65 HE1 MET 65 -7.211 -3.499 4.178 528 HE2 MET 65 HE2 MET 65 -8.931 -3.450 3.789 529 HE3 MET 65 HE3 MET 65 -8.361 -4.407 5.158 530 H ASP 66 H ASP 66 -4.401 -8.518 5.562 531 HA ASP 66 HA ASP 66 -3.037 -10.031 3.582 532 HB2 ASP 66 HB2 ASP 66 -5.067 -10.916 5.644 533 HB3 ASP 66 HB3 ASP 66 -4.077 -11.986 4.662 534 H MET 67 H MET 67 -4.041 -11.582 2.117 535 HA MET 67 HA MET 67 -6.416 -10.372 0.921 536 HB2 MET 67 HB2 MET 67 -4.284 -10.911 -0.365 537 HB3 MET 67 HB3 MET 67 -4.765 -12.597 -0.247 538 HG2 MET 67 HG2 MET 67 -6.848 -12.103 -1.410 539 HG3 MET 67 HG3 MET 67 -6.395 -10.404 -1.516 540 HE1 MET 67 HE1 MET 67 -4.419 -9.483 -2.993 541 HE2 MET 67 HE2 MET 67 -3.289 -10.563 -2.172 542 HE3 MET 67 HE3 MET 67 -3.332 -10.506 -3.935 543 H GLU 68 H GLU 68 -5.676 -12.862 3.002 544 HA GLU 68 HA GLU 68 -8.083 -14.357 2.206 545 HB2 GLU 68 HB2 GLU 68 -5.664 -15.346 3.726 546 HB3 GLU 68 HB3 GLU 68 -7.099 -16.303 3.372 547 HG2 GLU 68 HG2 GLU 68 -6.662 -15.939 0.956 548 HG3 GLU 68 HG3 GLU 68 -5.150 -15.151 1.393 549 H LYS 69 H LYS 69 -7.449 -11.981 4.043 550 HA LYS 69 HA LYS 69 -9.433 -12.725 6.028 551 HB2 LYS 69 HB2 LYS 69 -6.625 -11.934 6.707 552 HB3 LYS 69 HB3 LYS 69 -7.936 -11.409 7.751 553 HG2 LYS 69 HG2 LYS 69 -8.601 -13.807 7.987 554 HG3 LYS 69 HG3 LYS 69 -7.127 -14.234 7.110 555 HD2 LYS 69 HD2 LYS 69 -5.758 -13.235 8.810 556 HD3 LYS 69 HD3 LYS 69 -7.176 -12.585 9.634 557 HE2 LYS 69 HE2 LYS 69 -7.947 -14.917 10.012 558 HE3 LYS 69 HE3 LYS 69 -6.430 -15.486 9.318 559 HZ1 LYS 69 HZ1 LYS 69 -6.450 -15.391 11.775 560 HZ2 LYS 69 HZ2 LYS 69 -5.214 -14.466 11.077 561 HZ3 LYS 69 HZ3 LYS 69 -6.599 -13.701 11.684 562 H GLY 70 H GLY 70 -10.584 -10.953 6.848 563 HA2 GLY 70 HA2 GLY 70 -11.325 -8.793 7.044 564 HA3 GLY 70 HA3 GLY 70 -9.687 -8.281 6.680 565 H GLU 71 H GLU 71 -12.054 -10.039 4.692 566 HA GLU 71 HA GLU 71 -13.120 -9.531 2.753 567 HB2 GLU 71 HB2 GLU 71 -12.420 -6.674 3.446 568 HB3 GLU 71 HB3 GLU 71 -13.530 -7.165 2.173 569 HG2 GLU 71 HG2 GLU 71 -15.053 -8.086 3.771 570 HG3 GLU 71 HG3 GLU 71 -13.901 -7.829 5.081 571 H GLY 72 H GLY 72 -10.026 -9.696 3.034 572 HA2 GLY 72 HA2 GLY 72 -8.863 -8.284 0.907 573 HA3 GLY 72 HA3 GLY 72 -8.259 -9.797 1.569 574 H VAL 73 H VAL 73 -10.659 -11.292 0.973 575 HA VAL 73 HA VAL 73 -10.090 -12.105 -1.677 576 HB VAL 73 HB VAL 73 -10.990 -13.673 -0.042 577 HG11 VAL 73 HG11 VAL 73 -12.440 -12.197 1.217 578 HG12 VAL 73 HG12 VAL 73 -13.519 -12.038 -0.171 579 HG13 VAL 73 HG13 VAL 73 -13.347 -13.595 0.639 580 HG21 VAL 73 HG21 VAL 73 -11.355 -14.159 -2.396 581 HG22 VAL 73 HG22 VAL 73 -12.699 -14.747 -1.418 582 HG23 VAL 73 HG23 VAL 73 -12.875 -13.265 -2.358 583 H GLU 74 H GLU 74 -12.449 -9.927 -0.285 584 HA GLU 74 HA GLU 74 -14.055 -9.629 -2.597 585 HB2 GLU 74 HB2 GLU 74 -13.643 -7.911 -0.160 586 HB3 GLU 74 HB3 GLU 74 -14.717 -7.431 -1.467 587 HG2 GLU 74 HG2 GLU 74 -14.950 -9.935 0.189 588 HG3 GLU 74 HG3 GLU 74 -15.939 -8.483 0.351 589 H LEU 75 H LEU 75 -11.279 -7.839 -1.319 590 HA LEU 75 HA LEU 75 -11.236 -5.883 -3.365 591 HB2 LEU 75 HB2 LEU 75 -8.992 -6.895 -1.618 592 HB3 LEU 75 HB3 LEU 75 -8.910 -5.463 -2.627 593 HG LEU 75 HG LEU 75 -10.704 -5.873 -0.235 594 HD11 LEU 75 HD11 LEU 75 -8.357 -5.437 0.301 595 HD12 LEU 75 HD12 LEU 75 -8.404 -3.985 -0.699 596 HD13 LEU 75 HD13 LEU 75 -9.395 -4.085 0.756 597 HD21 LEU 75 HD21 LEU 75 -10.480 -3.518 -2.104 598 HD22 LEU 75 HD22 LEU 75 -11.873 -4.588 -1.931 599 HD23 LEU 75 HD23 LEU 75 -11.390 -3.543 -0.594 600 H ARG 76 H ARG 76 -9.828 -9.077 -3.061 601 HA ARG 76 HA ARG 76 -8.116 -9.123 -5.246 602 HB2 ARG 76 HB2 ARG 76 -8.310 -10.955 -3.631 603 HB3 ARG 76 HB3 ARG 76 -9.923 -11.323 -4.223 604 HG2 ARG 76 HG2 ARG 76 -8.909 -11.807 -6.451 605 HG3 ARG 76 HG3 ARG 76 -7.322 -11.631 -5.696 606 HD2 ARG 76 HD2 ARG 76 -9.449 -13.583 -4.828 607 HD3 ARG 76 HD3 ARG 76 -8.074 -13.983 -5.854 608 HE ARG 76 HE ARG 76 -6.762 -13.073 -3.784 609 HH11 ARG 76 HH11 ARG 76 -9.701 -14.990 -3.743 610 HH12 ARG 76 HH12 ARG 76 -9.278 -15.838 -2.279 611 HH21 ARG 76 HH21 ARG 76 -6.218 -14.178 -1.836 612 HH22 ARG 76 HH22 ARG 76 -7.328 -15.342 -1.188 613 H LYS 77 H LYS 77 -11.583 -9.901 -5.138 614 HA LYS 77 HA LYS 77 -11.799 -10.244 -7.969 615 HB2 LYS 77 HB2 LYS 77 -13.793 -10.018 -5.728 616 HB3 LYS 77 HB3 LYS 77 -14.308 -10.092 -7.406 617 HG2 LYS 77 HG2 LYS 77 -12.644 -12.183 -6.015 618 HG3 LYS 77 HG3 LYS 77 -14.386 -12.275 -6.292 619 HD2 LYS 77 HD2 LYS 77 -13.926 -12.039 -8.735 620 HD3 LYS 77 HD3 LYS 77 -12.205 -12.177 -8.367 621 HE2 LYS 77 HE2 LYS 77 -12.594 -14.382 -7.388 622 HE3 LYS 77 HE3 LYS 77 -14.315 -14.241 -7.751 623 HZ1 LYS 77 HZ1 LYS 77 -13.318 -15.532 -9.451 624 HZ2 LYS 77 HZ2 LYS 77 -13.667 -14.019 -10.133 625 HZ3 LYS 77 HZ3 LYS 77 -12.073 -14.405 -9.692 626 H LYS 78 H LYS 78 -12.191 -7.606 -5.743 627 HA LYS 78 HA LYS 78 -13.775 -5.907 -7.308 628 HB2 LYS 78 HB2 LYS 78 -13.396 -5.588 -4.908 629 HB3 LYS 78 HB3 LYS 78 -11.710 -5.203 -5.217 630 HG2 LYS 78 HG2 LYS 78 -12.333 -3.196 -6.389 631 HG3 LYS 78 HG3 LYS 78 -14.042 -3.603 -6.243 632 HD2 LYS 78 HD2 LYS 78 -13.831 -3.493 -3.787 633 HD3 LYS 78 HD3 LYS 78 -12.144 -3.013 -3.971 634 HE2 LYS 78 HE2 LYS 78 -13.488 -1.055 -3.580 635 HE3 LYS 78 HE3 LYS 78 -12.894 -1.025 -5.240 636 HZ1 LYS 78 HZ1 LYS 78 -15.049 -1.846 -5.981 637 HZ2 LYS 78 HZ2 LYS 78 -15.619 -1.857 -4.382 638 HZ3 LYS 78 HZ3 LYS 78 -15.212 -0.393 -5.130 639 H TYR 79 H TYR 79 -10.242 -6.097 -6.975 640 HA TYR 79 HA TYR 79 -9.970 -4.103 -9.097 641 HB2 TYR 79 HB2 TYR 79 -7.903 -5.326 -7.259 642 HB3 TYR 79 HB3 TYR 79 -7.582 -4.069 -8.452 643 HD1 TYR 79 HD1 TYR 79 -8.640 -1.817 -8.169 644 HD2 TYR 79 HD2 TYR 79 -8.830 -4.793 -5.138 645 HE1 TYR 79 HE1 TYR 79 -9.241 -0.095 -6.522 646 HE2 TYR 79 HE2 TYR 79 -9.432 -3.080 -3.485 647 HH TYR 79 HH TYR 79 -9.169 -0.629 -3.197 648 H GLY 80 H GLY 80 -10.203 -7.386 -8.877 649 HA2 GLY 80 HA2 GLY 80 -9.732 -9.122 -10.300 650 HA3 GLY 80 HA3 GLY 80 -9.598 -7.894 -11.548 651 H VAL 81 H VAL 81 -7.679 -8.732 -8.688 652 HA VAL 81 HA VAL 81 -5.245 -8.022 -9.983 653 HB VAL 81 HB VAL 81 -5.480 -7.760 -7.572 654 HG11 VAL 81 HG11 VAL 81 -5.594 -10.770 -7.465 655 HG12 VAL 81 HG12 VAL 81 -5.471 -9.696 -6.071 656 HG13 VAL 81 HG13 VAL 81 -6.912 -9.661 -7.087 657 HG21 VAL 81 HG21 VAL 81 -3.353 -8.740 -6.875 658 HG22 VAL 81 HG22 VAL 81 -3.369 -9.785 -8.295 659 HG23 VAL 81 HG23 VAL 81 -3.243 -8.036 -8.488 660 H HIS 82 H HIS 82 -3.795 -9.217 -11.045 661 HA HIS 82 HA HIS 82 -4.323 -12.108 -11.289 662 HB2 HIS 82 HB2 HIS 82 -2.924 -10.212 -13.188 663 HB3 HIS 82 HB3 HIS 82 -3.036 -11.952 -13.422 664 HD1 HIS 82 HD1 HIS 82 -5.009 -8.806 -13.726 665 HD2 HIS 82 HD2 HIS 82 -5.592 -12.898 -14.142 666 HE1 HIS 82 HE1 HIS 82 -7.201 -9.057 -14.931 667 HE2 HIS 82 HE2 HIS 82 -7.450 -11.535 -15.316 668 H ALA 83 H ALA 83 -2.299 -9.965 -9.793 669 HA ALA 83 HA ALA 83 0.037 -11.745 -9.977 670 HB1 ALA 83 HB1 ALA 83 1.405 -9.844 -9.353 671 HB2 ALA 83 HB2 ALA 83 0.420 -9.447 -10.760 672 HB3 ALA 83 HB3 ALA 83 -0.033 -8.842 -9.167 673 H TYR 84 H TYR 84 1.461 -11.182 -7.828 674 HA TYR 84 HA TYR 84 -0.206 -12.242 -5.688 675 HB2 TYR 84 HB2 TYR 84 2.790 -12.064 -5.981 676 HB3 TYR 84 HB3 TYR 84 1.973 -12.735 -4.572 677 HD1 TYR 84 HD1 TYR 84 0.474 -14.763 -4.902 678 HD2 TYR 84 HD2 TYR 84 3.157 -13.393 -7.907 679 HE1 TYR 84 HE1 TYR 84 0.340 -16.953 -6.007 680 HE2 TYR 84 HE2 TYR 84 3.028 -15.582 -9.022 681 HH TYR 84 HH TYR 84 2.503 -17.922 -8.413 682 HA PRO 85 HA PRO 85 1.258 -8.330 -3.543 683 HB2 PRO 85 HB2 PRO 85 3.069 -6.666 -4.581 684 HB3 PRO 85 HB3 PRO 85 3.559 -8.184 -3.820 685 HG2 PRO 85 HG2 PRO 85 3.409 -7.471 -6.701 686 HG3 PRO 85 HG3 PRO 85 4.526 -8.564 -5.868 687 HD2 PRO 85 HD2 PRO 85 2.201 -9.281 -7.318 688 HD3 PRO 85 HD3 PRO 85 3.191 -10.344 -6.300 689 H THR 86 H THR 86 0.143 -6.372 -3.435 690 HA THR 86 HA THR 86 -0.449 -4.917 -5.880 691 HB THR 86 HB THR 86 -2.721 -5.920 -4.153 692 HG1 THR 86 HG1 THR 86 -1.353 -7.183 -6.090 693 HG21 THR 86 HG21 THR 86 -3.143 -3.783 -5.288 694 HG22 THR 86 HG22 THR 86 -2.701 -4.515 -6.830 695 HG23 THR 86 HG23 THR 86 -4.134 -5.074 -5.967 696 H LEU 87 H LEU 87 -0.379 -2.799 -5.473 697 HA LEU 87 HA LEU 87 -0.762 -1.900 -2.696 698 HB2 LEU 87 HB2 LEU 87 0.710 -0.549 -4.962 699 HB3 LEU 87 HB3 LEU 87 0.537 0.093 -3.339 700 HG LEU 87 HG LEU 87 2.033 -2.420 -4.096 701 HD11 LEU 87 HD11 LEU 87 3.005 0.273 -3.161 702 HD12 LEU 87 HD12 LEU 87 4.010 -1.157 -3.393 703 HD13 LEU 87 HD13 LEU 87 3.206 -0.411 -4.775 704 HD21 LEU 87 HD21 LEU 87 0.991 -2.616 -1.899 705 HD22 LEU 87 HD22 LEU 87 2.743 -2.466 -1.762 706 HD23 LEU 87 HD23 LEU 87 1.709 -1.080 -1.415 707 H LEU 88 H LEU 88 -2.362 -0.506 -2.240 708 HA LEU 88 HA LEU 88 -4.018 0.390 -4.519 709 HB2 LEU 88 HB2 LEU 88 -4.892 -0.525 -1.779 710 HB3 LEU 88 HB3 LEU 88 -5.951 0.292 -2.908 711 HG LEU 88 HG LEU 88 -6.467 -1.990 -3.089 712 HD11 LEU 88 HD11 LEU 88 -6.310 -0.895 -5.235 713 HD12 LEU 88 HD12 LEU 88 -4.601 -1.314 -5.349 714 HD13 LEU 88 HD13 LEU 88 -5.823 -2.586 -5.369 715 HD21 LEU 88 HD21 LEU 88 -3.523 -2.573 -3.352 716 HD22 LEU 88 HD22 LEU 88 -4.524 -2.895 -1.936 717 HD23 LEU 88 HD23 LEU 88 -4.828 -3.755 -3.446 718 H PHE 89 H PHE 89 -4.705 2.465 -4.563 719 HA PHE 89 HA PHE 89 -3.934 4.173 -2.291 720 HB2 PHE 89 HB2 PHE 89 -4.326 5.062 -5.157 721 HB3 PHE 89 HB3 PHE 89 -3.643 5.999 -3.833 722 HD1 PHE 89 HD1 PHE 89 -1.465 5.062 -2.771 723 HD2 PHE 89 HD2 PHE 89 -2.933 3.931 -6.602 724 HE1 PHE 89 HE1 PHE 89 0.783 4.294 -3.404 725 HE2 PHE 89 HE2 PHE 89 -0.688 3.155 -7.237 726 HZ PHE 89 HZ PHE 89 1.173 3.336 -5.640 727 H ILE 90 H ILE 90 -5.708 4.480 -1.100 728 HA ILE 90 HA ILE 90 -8.302 4.800 -2.451 729 HB ILE 90 HB ILE 90 -7.728 4.313 0.481 730 HG12 ILE 90 HG12 ILE 90 -7.099 2.378 -0.895 731 HG13 ILE 90 HG13 ILE 90 -8.514 2.025 0.089 732 HG21 ILE 90 HG21 ILE 90 -9.831 5.478 0.136 733 HG22 ILE 90 HG22 ILE 90 -10.331 4.259 -1.037 734 HG23 ILE 90 HG23 ILE 90 -10.122 3.819 0.657 735 HD11 ILE 90 HD11 ILE 90 -8.502 2.692 -2.845 736 HD12 ILE 90 HD12 ILE 90 -8.780 1.106 -2.123 737 HD13 ILE 90 HD13 ILE 90 -9.943 2.407 -1.870 738 H ASN 91 H ASN 91 -9.460 6.670 -2.278 739 HA ASN 91 HA ASN 91 -7.997 8.943 -1.190 740 HB2 ASN 91 HB2 ASN 91 -9.612 10.335 -2.420 741 HB3 ASN 91 HB3 ASN 91 -8.827 9.164 -3.469 742 HD21 ASN 91 HD21 ASN 91 -10.435 9.225 -4.995 743 HD22 ASN 91 HD22 ASN 91 -12.002 8.566 -4.735 744 H SER 92 H SER 92 -9.705 10.742 -0.405 745 HA SER 92 HA SER 92 -10.527 9.708 2.135 746 HB2 SER 92 HB2 SER 92 -9.455 11.978 1.678 747 HB3 SER 92 HB3 SER 92 -11.029 12.491 1.072 748 HG SER 92 HG SER 92 -11.033 11.256 3.554 749 H SER 93 H SER 93 -12.031 10.098 -0.874 750 HA SER 93 HA SER 93 -14.714 10.501 0.027 751 HB2 SER 93 HB2 SER 93 -13.986 11.100 -2.252 752 HB3 SER 93 HB3 SER 93 -13.669 9.402 -2.598 753 HG SER 93 HG SER 93 -15.687 9.210 -3.102 754 H GLY 94 H GLY 94 -12.594 7.805 -0.189 755 HA2 GLY 94 HA2 GLY 94 -13.035 5.758 0.923 756 HA3 GLY 94 HA3 GLY 94 -14.757 6.060 0.745 757 H GLU 95 H GLU 95 -12.512 6.449 -1.885 758 HA GLU 95 HA GLU 95 -13.217 3.847 -2.994 759 HB2 GLU 95 HB2 GLU 95 -13.761 4.930 -5.193 760 HB3 GLU 95 HB3 GLU 95 -14.934 5.241 -3.923 761 HG2 GLU 95 HG2 GLU 95 -13.688 7.420 -3.531 762 HG3 GLU 95 HG3 GLU 95 -12.882 7.090 -5.064 763 H VAL 96 H VAL 96 -11.898 3.482 -5.085 764 HA VAL 96 HA VAL 96 -9.169 4.142 -4.352 765 HB VAL 96 HB VAL 96 -9.832 1.822 -4.996 766 HG11 VAL 96 HG11 VAL 96 -10.063 3.008 -7.757 767 HG12 VAL 96 HG12 VAL 96 -10.035 1.284 -7.390 768 HG13 VAL 96 HG13 VAL 96 -11.362 2.289 -6.805 769 HG21 VAL 96 HG21 VAL 96 -7.505 2.512 -5.037 770 HG22 VAL 96 HG22 VAL 96 -7.841 1.371 -6.340 771 HG23 VAL 96 HG23 VAL 96 -7.691 3.093 -6.691 772 H VAL 97 H VAL 97 -7.795 5.444 -5.428 773 HA VAL 97 HA VAL 97 -8.896 6.979 -7.665 774 HB VAL 97 HB VAL 97 -7.904 8.252 -5.796 775 HG11 VAL 97 HG11 VAL 97 -5.323 6.924 -6.600 776 HG12 VAL 97 HG12 VAL 97 -5.468 8.272 -5.472 777 HG13 VAL 97 HG13 VAL 97 -6.188 6.710 -5.077 778 HG21 VAL 97 HG21 VAL 97 -7.926 9.248 -8.009 779 HG22 VAL 97 HG22 VAL 97 -6.474 9.732 -7.135 780 HG23 VAL 97 HG23 VAL 97 -6.378 8.492 -8.386 781 H TYR 98 H TYR 98 -6.387 4.698 -6.860 782 HA TYR 98 HA TYR 98 -6.065 3.920 -9.579 783 HB2 TYR 98 HB2 TYR 98 -4.635 5.942 -9.598 784 HB3 TYR 98 HB3 TYR 98 -3.713 5.300 -8.244 785 HD1 TYR 98 HD1 TYR 98 -4.706 4.444 -11.734 786 HD2 TYR 98 HD2 TYR 98 -1.777 4.087 -8.671 787 HE1 TYR 98 HE1 TYR 98 -3.202 3.311 -13.314 788 HE2 TYR 98 HE2 TYR 98 -0.261 2.955 -10.243 789 HH TYR 98 HH TYR 98 -0.776 2.930 -13.601 790 H ARG 99 H ARG 99 -4.897 1.942 -9.737 791 HA ARG 99 HA ARG 99 -4.118 0.790 -7.148 792 HB2 ARG 99 HB2 ARG 99 -4.981 -1.348 -7.758 793 HB3 ARG 99 HB3 ARG 99 -6.256 -0.178 -8.050 794 HG2 ARG 99 HG2 ARG 99 -4.449 -1.225 -10.215 795 HG3 ARG 99 HG3 ARG 99 -5.987 -1.970 -9.782 796 HD2 ARG 99 HD2 ARG 99 -7.175 0.044 -10.367 797 HD3 ARG 99 HD3 ARG 99 -5.659 0.896 -10.656 798 HE ARG 99 HE ARG 99 -5.661 -1.337 -12.304 799 HH11 ARG 99 HH11 ARG 99 -7.581 1.572 -11.909 800 HH12 ARG 99 HH12 ARG 99 -7.979 1.691 -13.599 801 HH21 ARG 99 HH21 ARG 99 -6.177 -1.189 -14.512 802 HH22 ARG 99 HH22 ARG 99 -7.194 0.101 -15.084 803 H LEU 100 H LEU 100 -2.184 -0.193 -7.044 804 HA LEU 100 HA LEU 100 -0.571 -0.156 -9.514 805 HB2 LEU 100 HB2 LEU 100 0.121 1.414 -7.722 806 HB3 LEU 100 HB3 LEU 100 0.341 0.047 -6.638 807 HG LEU 100 HG LEU 100 2.069 -0.825 -8.265 808 HD11 LEU 100 HD11 LEU 100 1.780 1.952 -9.397 809 HD12 LEU 100 HD12 LEU 100 3.059 0.806 -9.798 810 HD13 LEU 100 HD13 LEU 100 1.386 0.444 -10.221 811 HD21 LEU 100 HD21 LEU 100 3.807 0.682 -7.455 812 HD22 LEU 100 HD22 LEU 100 2.577 1.850 -6.977 813 HD23 LEU 100 HD23 LEU 100 2.663 0.282 -6.175 814 H VAL 101 H VAL 101 -0.243 -2.135 -10.309 815 HA VAL 101 HA VAL 101 -0.205 -4.404 -8.443 816 HB VAL 101 HB VAL 101 -0.462 -4.471 -11.455 817 HG11 VAL 101 HG11 VAL 101 -1.160 -6.794 -11.113 818 HG12 VAL 101 HG12 VAL 101 0.484 -6.514 -10.537 819 HG13 VAL 101 HG13 VAL 101 -0.848 -6.628 -9.386 820 HG21 VAL 101 HG21 VAL 101 -2.826 -4.994 -11.066 821 HG22 VAL 101 HG22 VAL 101 -2.590 -4.733 -9.338 822 HG23 VAL 101 HG23 VAL 101 -2.400 -3.391 -10.466 823 H GLY 102 H GLY 102 1.828 -4.612 -7.713 824 HA2 GLY 102 HA2 GLY 102 3.973 -5.613 -8.087 825 HA3 GLY 102 HA3 GLY 102 3.955 -4.971 -9.721 826 H ALA 103 H ALA 103 5.757 -4.706 -7.256 827 HA ALA 103 HA ALA 103 5.931 -1.773 -7.301 828 HB1 ALA 103 HB1 ALA 103 6.378 -3.523 -4.884 829 HB2 ALA 103 HB2 ALA 103 6.545 -1.768 -4.949 830 HB3 ALA 103 HB3 ALA 103 4.962 -2.512 -5.170 831 H GLU 104 H GLU 104 7.951 -0.905 -7.389 832 HA GLU 104 HA GLU 104 10.104 -2.800 -7.997 833 HB2 GLU 104 HB2 GLU 104 9.632 0.080 -8.736 834 HB3 GLU 104 HB3 GLU 104 11.216 -0.660 -8.908 835 HG2 GLU 104 HG2 GLU 104 10.051 -0.689 -11.014 836 HG3 GLU 104 HG3 GLU 104 10.268 -2.332 -10.422 837 H ASP 105 H ASP 105 12.350 -1.478 -7.548 838 HA ASP 105 HA ASP 105 12.749 -1.649 -4.782 839 HB2 ASP 105 HB2 ASP 105 14.413 -0.383 -6.953 840 HB3 ASP 105 HB3 ASP 105 14.942 -0.456 -5.277 841 H ALA 106 H ALA 106 13.851 0.189 -3.536 842 HA ALA 106 HA ALA 106 11.862 1.869 -2.707 843 HB1 ALA 106 HB1 ALA 106 13.505 3.014 -1.362 844 HB2 ALA 106 HB2 ALA 106 13.834 1.284 -1.374 845 HB3 ALA 106 HB3 ALA 106 14.809 2.375 -2.356 846 HA PRO 107 HA PRO 107 13.741 5.697 -5.020 847 HB2 PRO 107 HB2 PRO 107 15.235 4.488 -7.260 848 HB3 PRO 107 HB3 PRO 107 15.689 5.824 -6.197 849 HG2 PRO 107 HG2 PRO 107 16.867 3.435 -5.993 850 HG3 PRO 107 HG3 PRO 107 16.512 4.415 -4.558 851 HD2 PRO 107 HD2 PRO 107 15.027 2.054 -5.653 852 HD3 PRO 107 HD3 PRO 107 15.441 2.441 -3.971 853 H GLU 108 H GLU 108 13.319 2.896 -7.176 854 HA GLU 108 HA GLU 108 11.954 4.329 -9.192 855 HB2 GLU 108 HB2 GLU 108 13.190 2.086 -9.344 856 HB3 GLU 108 HB3 GLU 108 11.716 1.369 -8.708 857 HG2 GLU 108 HG2 GLU 108 11.761 1.183 -11.106 858 HG3 GLU 108 HG3 GLU 108 10.471 2.277 -10.612 859 H LEU 109 H LEU 109 10.902 2.682 -6.291 860 HA LEU 109 HA LEU 109 8.172 2.392 -6.807 861 HB2 LEU 109 HB2 LEU 109 9.346 1.458 -4.853 862 HB3 LEU 109 HB3 LEU 109 9.523 3.063 -4.193 863 HG LEU 109 HG LEU 109 7.057 3.238 -4.002 864 HD11 LEU 109 HD11 LEU 109 5.682 1.227 -4.215 865 HD12 LEU 109 HD12 LEU 109 6.409 1.676 -5.760 866 HD13 LEU 109 HD13 LEU 109 7.078 0.337 -4.828 867 HD21 LEU 109 HD21 LEU 109 8.390 2.539 -2.099 868 HD22 LEU 109 HD22 LEU 109 6.841 1.694 -2.112 869 HD23 LEU 109 HD23 LEU 109 8.305 0.861 -2.636 870 H LEU 110 H LEU 110 9.836 5.052 -5.147 871 HA LEU 110 HA LEU 110 7.507 6.614 -4.829 872 HB2 LEU 110 HB2 LEU 110 8.954 8.395 -4.104 873 HB3 LEU 110 HB3 LEU 110 9.490 6.876 -3.417 874 HG LEU 110 HG LEU 110 11.068 7.018 -5.627 875 HD11 LEU 110 HD11 LEU 110 11.936 9.295 -5.768 876 HD12 LEU 110 HD12 LEU 110 10.235 9.232 -6.227 877 HD13 LEU 110 HD13 LEU 110 10.697 9.841 -4.638 878 HD21 LEU 110 HD21 LEU 110 11.626 8.218 -2.917 879 HD22 LEU 110 HD22 LEU 110 11.783 6.515 -3.348 880 HD23 LEU 110 HD23 LEU 110 12.838 7.715 -4.096 881 H LYS 111 H LYS 111 9.858 6.430 -7.429 882 HA LYS 111 HA LYS 111 8.937 8.720 -8.846 883 HB2 LYS 111 HB2 LYS 111 10.266 6.206 -9.876 884 HB3 LYS 111 HB3 LYS 111 10.018 7.668 -10.816 885 HG2 LYS 111 HG2 LYS 111 11.724 7.428 -8.349 886 HG3 LYS 111 HG3 LYS 111 12.306 7.485 -10.013 887 HD2 LYS 111 HD2 LYS 111 11.107 9.730 -10.177 888 HD3 LYS 111 HD3 LYS 111 10.979 9.660 -8.419 889 HE2 LYS 111 HE2 LYS 111 12.931 10.921 -8.937 890 HE3 LYS 111 HE3 LYS 111 13.465 9.349 -8.340 891 HZ1 LYS 111 HZ1 LYS 111 13.441 10.335 -11.130 892 HZ2 LYS 111 HZ2 LYS 111 14.766 9.782 -10.227 893 HZ3 LYS 111 HZ3 LYS 111 13.589 8.689 -10.769 894 H LYS 112 H LYS 112 8.261 5.268 -9.121 895 HA LYS 112 HA LYS 112 6.488 5.350 -11.271 896 HB2 LYS 112 HB2 LYS 112 7.625 3.345 -10.374 897 HB3 LYS 112 HB3 LYS 112 6.534 3.379 -8.999 898 HG2 LYS 112 HG2 LYS 112 5.909 1.743 -10.715 899 HG3 LYS 112 HG3 LYS 112 4.650 2.929 -10.410 900 HD2 LYS 112 HD2 LYS 112 4.937 3.943 -12.458 901 HD3 LYS 112 HD3 LYS 112 6.607 3.396 -12.612 902 HE2 LYS 112 HE2 LYS 112 4.975 2.276 -14.156 903 HE3 LYS 112 HE3 LYS 112 5.922 1.183 -13.150 904 HZ1 LYS 112 HZ1 LYS 112 4.078 0.807 -11.743 905 HZ2 LYS 112 HZ2 LYS 112 3.176 2.063 -12.446 906 HZ3 LYS 112 HZ3 LYS 112 3.500 0.652 -13.332 907 H VAL 113 H VAL 113 5.868 5.670 -7.789 908 HA VAL 113 HA VAL 113 3.039 5.576 -8.089 909 HB VAL 113 HB VAL 113 4.087 5.036 -5.938 910 HG11 VAL 113 HG11 VAL 113 5.899 6.636 -5.907 911 HG12 VAL 113 HG12 VAL 113 4.748 7.969 -5.786 912 HG13 VAL 113 HG13 VAL 113 4.904 6.816 -4.462 913 HG21 VAL 113 HG21 VAL 113 2.238 7.410 -5.772 914 HG22 VAL 113 HG22 VAL 113 1.750 5.731 -5.992 915 HG23 VAL 113 HG23 VAL 113 2.532 6.232 -4.493 916 H LYS 114 H LYS 114 5.396 8.226 -7.943 917 HA LYS 114 HA LYS 114 3.556 10.344 -7.803 918 HB2 LYS 114 HB2 LYS 114 5.954 10.632 -7.400 919 HB3 LYS 114 HB3 LYS 114 6.272 10.342 -9.107 920 HG2 LYS 114 HG2 LYS 114 4.822 12.314 -9.625 921 HG3 LYS 114 HG3 LYS 114 4.762 12.643 -7.896 922 HD2 LYS 114 HD2 LYS 114 7.324 12.397 -9.429 923 HD3 LYS 114 HD3 LYS 114 6.479 13.927 -9.210 924 HE2 LYS 114 HE2 LYS 114 6.653 13.681 -6.786 925 HE3 LYS 114 HE3 LYS 114 7.485 12.141 -7.001 926 HZ1 LYS 114 HZ1 LYS 114 8.492 14.746 -8.015 927 HZ2 LYS 114 HZ2 LYS 114 8.991 14.018 -6.564 928 HZ3 LYS 114 HZ3 LYS 114 9.305 13.258 -8.042 929 H LEU 115 H LEU 115 5.088 8.839 -10.645 930 HA LEU 115 HA LEU 115 3.693 10.543 -12.469 931 HB2 LEU 115 HB2 LEU 115 4.645 9.110 -14.218 932 HB3 LEU 115 HB3 LEU 115 5.844 9.661 -13.072 933 HG LEU 115 HG LEU 115 5.440 7.322 -11.955 934 HD11 LEU 115 HD11 LEU 115 4.948 5.570 -13.561 935 HD12 LEU 115 HD12 LEU 115 3.577 6.669 -13.409 936 HD13 LEU 115 HD13 LEU 115 4.643 6.777 -14.810 937 HD21 LEU 115 HD21 LEU 115 7.241 6.407 -13.342 938 HD22 LEU 115 HD22 LEU 115 6.996 7.712 -14.503 939 HD23 LEU 115 HD23 LEU 115 7.549 8.078 -12.868 940 H GLY 116 H GLY 116 3.032 7.551 -10.935 941 HA2 GLY 116 HA2 GLY 116 1.039 6.592 -12.730 942 HA3 GLY 116 HA3 GLY 116 1.274 6.074 -11.068 943 H VAL 117 H VAL 117 0.806 8.309 -9.608 944 HA VAL 117 HA VAL 117 -2.064 8.592 -9.936 945 HB VAL 117 HB VAL 117 -2.048 9.737 -7.785 946 HG11 VAL 117 HG11 VAL 117 -2.102 7.311 -7.771 947 HG12 VAL 117 HG12 VAL 117 -0.340 7.253 -7.786 948 HG13 VAL 117 HG13 VAL 117 -1.188 7.911 -6.388 949 HG21 VAL 117 HG21 VAL 117 0.033 10.040 -6.518 950 HG22 VAL 117 HG22 VAL 117 0.957 9.487 -7.915 951 HG23 VAL 117 HG23 VAL 117 0.030 10.984 -8.009 952 H GLU 118 H GLU 118 0.438 10.077 -11.300 953 HA GLU 118 HA GLU 118 0.718 11.960 -12.507 954 HB2 GLU 118 HB2 GLU 118 -2.226 12.318 -11.957 955 HB3 GLU 118 HB3 GLU 118 -1.299 13.299 -13.084 956 HG2 GLU 118 HG2 GLU 118 -0.772 11.265 -14.371 957 HG3 GLU 118 HG3 GLU 118 -1.784 10.335 -13.268 958 H SER 119 H SER 119 -0.100 14.531 -12.309 959 HA SER 119 HA SER 119 0.149 15.344 -9.527 960 HB2 SER 119 HB2 SER 119 2.152 16.167 -11.644 961 HB3 SER 119 HB3 SER 119 2.091 16.780 -9.992 962 HG SER 119 HG SER 119 2.115 14.146 -9.830 963 H GLU 120 H GLU 120 -1.275 16.894 -9.197 964 HA GLU 120 HA GLU 120 -2.411 18.357 -11.417 965 HB2 GLU 120 HB2 GLU 120 -2.977 18.337 -8.454 966 HB3 GLU 120 HB3 GLU 120 -3.812 19.399 -9.580 967 HG2 GLU 120 HG2 GLU 120 -3.778 16.397 -9.772 968 HG3 GLU 120 HG3 GLU 120 -5.069 17.344 -9.034 969 H GLY 121 H GLY 121 -2.165 20.474 -11.870 970 HA2 GLY 121 HA2 GLY 121 -0.941 22.358 -10.122 971 HA3 GLY 121 HA3 GLY 121 0.187 21.802 -11.355 Start of MODEL 11 1 H ALA 1 H ALA 1 16.413 3.887 19.555 2 HA ALA 1 HA ALA 1 13.656 3.798 18.475 3 HB1 ALA 1 HB1 ALA 1 13.686 6.219 18.646 4 HB2 ALA 1 HB2 ALA 1 13.932 5.488 20.232 5 HB3 ALA 1 HB3 ALA 1 15.301 6.171 19.353 6 H GLN 2 H GLN 2 14.039 3.084 16.433 7 HA GLN 2 HA GLN 2 15.376 4.914 14.666 8 HB2 GLN 2 HB2 GLN 2 17.266 3.466 15.477 9 HB3 GLN 2 HB3 GLN 2 16.437 2.084 14.773 10 HG2 GLN 2 HG2 GLN 2 16.558 3.175 12.565 11 HG3 GLN 2 HG3 GLN 2 17.471 4.494 13.294 12 HE21 GLN 2 HE21 GLN 2 17.824 1.106 14.144 13 HE22 GLN 2 HE22 GLN 2 19.428 0.927 13.507 14 H ALA 3 H ALA 3 14.324 1.520 14.810 15 HA ALA 3 HA ALA 3 12.987 0.262 13.491 16 HB1 ALA 3 HB1 ALA 3 11.285 1.749 14.435 17 HB2 ALA 3 HB2 ALA 3 11.506 2.858 13.080 18 HB3 ALA 3 HB3 ALA 3 10.873 1.235 12.799 19 H ASP 4 H ASP 4 14.930 0.166 12.075 20 HA ASP 4 HA ASP 4 14.886 1.634 9.618 21 HB2 ASP 4 HB2 ASP 4 16.675 0.029 8.917 22 HB3 ASP 4 HB3 ASP 4 17.021 0.858 10.428 23 H GLY 5 H GLY 5 13.071 1.373 8.489 24 HA2 GLY 5 HA2 GLY 5 12.055 -0.041 6.750 25 HA3 GLY 5 HA3 GLY 5 12.206 -1.383 7.881 26 H ILE 6 H ILE 6 10.284 1.249 6.855 27 HA ILE 6 HA ILE 6 8.758 1.758 9.128 28 HB ILE 6 HB ILE 6 6.988 2.509 7.469 29 HG12 ILE 6 HG12 ILE 6 9.219 1.891 5.523 30 HG13 ILE 6 HG13 ILE 6 7.669 1.061 5.597 31 HG21 ILE 6 HG21 ILE 6 8.509 4.041 8.518 32 HG22 ILE 6 HG22 ILE 6 9.782 3.617 7.376 33 HG23 ILE 6 HG23 ILE 6 8.348 4.476 6.817 34 HD11 ILE 6 HD11 ILE 6 7.739 2.678 3.780 35 HD12 ILE 6 HD12 ILE 6 6.529 3.126 4.984 36 HD13 ILE 6 HD13 ILE 6 8.076 3.970 4.933 37 H ALA 7 H ALA 7 6.632 1.135 9.704 38 HA ALA 7 HA ALA 7 6.328 -1.748 9.227 39 HB1 ALA 7 HB1 ALA 7 6.878 -1.075 11.522 40 HB2 ALA 7 HB2 ALA 7 5.396 -0.120 11.584 41 HB3 ALA 7 HB3 ALA 7 5.310 -1.872 11.419 42 H PHE 8 H PHE 8 4.651 -2.407 8.068 43 HA PHE 8 HA PHE 8 2.398 -0.807 7.424 44 HB2 PHE 8 HB2 PHE 8 2.756 -3.812 7.342 45 HB3 PHE 8 HB3 PHE 8 1.402 -2.949 6.638 46 HD1 PHE 8 HD1 PHE 8 1.917 -1.248 4.801 47 HD2 PHE 8 HD2 PHE 8 4.675 -4.204 6.122 48 HE1 PHE 8 HE1 PHE 8 3.160 -1.029 2.690 49 HE2 PHE 8 HE2 PHE 8 5.922 -3.990 4.015 50 HZ PHE 8 HZ PHE 8 5.160 -2.404 2.291 51 H ARG 9 H ARG 9 1.151 -0.079 9.091 52 HA ARG 9 HA ARG 9 0.608 -1.805 11.341 53 HB2 ARG 9 HB2 ARG 9 -0.587 0.106 12.292 54 HB3 ARG 9 HB3 ARG 9 1.030 0.546 11.770 55 HG2 ARG 9 HG2 ARG 9 -0.049 1.416 9.647 56 HG3 ARG 9 HG3 ARG 9 -1.591 1.247 10.495 57 HD2 ARG 9 HD2 ARG 9 0.746 3.008 11.193 58 HD3 ARG 9 HD3 ARG 9 -0.911 3.482 10.831 59 HE ARG 9 HE ARG 9 -0.993 1.847 13.081 60 HH11 ARG 9 HH11 ARG 9 0.308 4.994 12.191 61 HH12 ARG 9 HH12 ARG 9 0.280 5.587 13.824 62 HH21 ARG 9 HH21 ARG 9 -1.048 2.645 15.193 63 HH22 ARG 9 HH22 ARG 9 -0.557 4.281 15.520 64 H GLU 10 H GLU 10 -1.403 -2.605 11.940 65 HA GLU 10 HA GLU 10 -3.064 -3.127 9.574 66 HB2 GLU 10 HB2 GLU 10 -2.468 -4.803 12.009 67 HB3 GLU 10 HB3 GLU 10 -3.656 -5.241 10.786 68 HG2 GLU 10 HG2 GLU 10 -2.029 -5.535 9.139 69 HG3 GLU 10 HG3 GLU 10 -0.814 -4.651 10.057 70 H LEU 11 H LEU 11 -4.999 -2.304 9.546 71 HA LEU 11 HA LEU 11 -6.628 -2.265 11.961 72 HB2 LEU 11 HB2 LEU 11 -6.146 -0.010 10.024 73 HB3 LEU 11 HB3 LEU 11 -7.601 -0.097 10.983 74 HG LEU 11 HG LEU 11 -4.804 0.062 12.098 75 HD11 LEU 11 HD11 LEU 11 -5.490 2.130 10.976 76 HD12 LEU 11 HD12 LEU 11 -6.956 2.172 11.958 77 HD13 LEU 11 HD13 LEU 11 -5.376 2.339 12.725 78 HD21 LEU 11 HD21 LEU 11 -6.318 -1.136 13.573 79 HD22 LEU 11 HD22 LEU 11 -5.938 0.450 14.239 80 HD23 LEU 11 HD23 LEU 11 -7.494 0.171 13.461 81 H SER 12 H SER 12 -8.971 -2.237 11.399 82 HA SER 12 HA SER 12 -9.494 -3.875 9.102 83 HB2 SER 12 HB2 SER 12 -10.752 -4.087 11.257 84 HB3 SER 12 HB3 SER 12 -11.497 -2.523 10.927 85 HG SER 12 HG SER 12 -12.722 -4.436 10.259 86 H PHE 13 H PHE 13 -11.312 -3.263 7.578 87 HA PHE 13 HA PHE 13 -10.492 -1.123 6.013 88 HB2 PHE 13 HB2 PHE 13 -11.772 -3.049 5.164 89 HB3 PHE 13 HB3 PHE 13 -13.207 -2.448 5.987 90 HD1 PHE 13 HD1 PHE 13 -10.764 -1.680 3.320 91 HD2 PHE 13 HD2 PHE 13 -14.574 -0.809 5.006 92 HE1 PHE 13 HE1 PHE 13 -11.331 -0.340 1.338 93 HE2 PHE 13 HE2 PHE 13 -15.146 0.530 3.024 94 HZ PHE 13 HZ PHE 13 -13.526 0.766 1.188 95 HA PRO 14 HA PRO 14 -14.377 1.422 7.686 96 HB2 PRO 14 HB2 PRO 14 -14.870 0.782 10.351 97 HB3 PRO 14 HB3 PRO 14 -15.873 0.309 8.977 98 HG2 PRO 14 HG2 PRO 14 -13.779 -1.252 10.424 99 HG3 PRO 14 HG3 PRO 14 -15.330 -1.797 9.757 100 HD2 PRO 14 HD2 PRO 14 -13.031 -2.315 8.503 101 HD3 PRO 14 HD3 PRO 14 -14.501 -1.912 7.592 102 H GLU 15 H GLU 15 -11.821 0.266 9.838 103 HA GLU 15 HA GLU 15 -11.484 2.727 11.211 104 HB2 GLU 15 HB2 GLU 15 -9.772 0.275 10.900 105 HB3 GLU 15 HB3 GLU 15 -9.212 1.686 11.782 106 HG2 GLU 15 HG2 GLU 15 -11.647 0.037 12.411 107 HG3 GLU 15 HG3 GLU 15 -10.123 0.042 13.298 108 H ALA 16 H ALA 16 -9.613 1.138 8.635 109 HA ALA 16 HA ALA 16 -7.740 3.200 8.314 110 HB1 ALA 16 HB1 ALA 16 -8.663 1.168 6.285 111 HB2 ALA 16 HB2 ALA 16 -7.183 2.124 6.194 112 HB3 ALA 16 HB3 ALA 16 -7.387 0.933 7.480 113 H LEU 17 H LEU 17 -10.844 2.591 6.784 114 HA LEU 17 HA LEU 17 -10.818 4.520 4.782 115 HB2 LEU 17 HB2 LEU 17 -12.546 2.737 5.180 116 HB3 LEU 17 HB3 LEU 17 -13.199 3.735 6.460 117 HG LEU 17 HG LEU 17 -13.647 5.518 4.771 118 HD11 LEU 17 HD11 LEU 17 -13.609 4.900 2.399 119 HD12 LEU 17 HD12 LEU 17 -11.993 4.874 3.106 120 HD13 LEU 17 HD13 LEU 17 -12.854 3.363 2.817 121 HD21 LEU 17 HD21 LEU 17 -15.586 4.397 3.784 122 HD22 LEU 17 HD22 LEU 17 -14.915 2.833 4.247 123 HD23 LEU 17 HD23 LEU 17 -15.402 3.985 5.490 124 H LYS 18 H LYS 18 -12.121 4.785 8.077 125 HA LYS 18 HA LYS 18 -12.687 7.547 7.928 126 HB2 LYS 18 HB2 LYS 18 -13.735 6.145 9.616 127 HB3 LYS 18 HB3 LYS 18 -12.171 5.797 10.340 128 HG2 LYS 18 HG2 LYS 18 -11.920 8.175 10.896 129 HG3 LYS 18 HG3 LYS 18 -13.523 8.482 10.228 130 HD2 LYS 18 HD2 LYS 18 -14.517 7.013 11.894 131 HD3 LYS 18 HD3 LYS 18 -12.915 6.633 12.533 132 HE2 LYS 18 HE2 LYS 18 -13.931 8.282 13.947 133 HE3 LYS 18 HE3 LYS 18 -12.612 9.038 13.056 134 HZ1 LYS 18 HZ1 LYS 18 -14.328 10.558 12.892 135 HZ2 LYS 18 HZ2 LYS 18 -14.461 9.721 11.424 136 HZ3 LYS 18 HZ3 LYS 18 -15.520 9.373 12.704 137 H ARG 19 H ARG 19 -9.875 5.755 9.074 138 HA ARG 19 HA ARG 19 -8.432 7.804 10.243 139 HB2 ARG 19 HB2 ARG 19 -8.128 5.163 9.911 140 HB3 ARG 19 HB3 ARG 19 -6.964 5.742 8.724 141 HG2 ARG 19 HG2 ARG 19 -6.936 6.876 11.469 142 HG3 ARG 19 HG3 ARG 19 -6.262 5.277 11.171 143 HD2 ARG 19 HD2 ARG 19 -4.761 6.191 9.505 144 HD3 ARG 19 HD3 ARG 19 -5.483 7.784 9.693 145 HE ARG 19 HE ARG 19 -4.125 8.129 11.474 146 HH11 ARG 19 HH11 ARG 19 -4.329 4.660 10.932 147 HH12 ARG 19 HH12 ARG 19 -3.317 4.272 12.290 148 HH21 ARG 19 HH21 ARG 19 -2.739 7.608 13.199 149 HH22 ARG 19 HH22 ARG 19 -2.405 5.948 13.580 150 H ALA 20 H ALA 20 -8.378 6.683 6.859 151 HA ALA 20 HA ALA 20 -6.443 8.604 6.028 152 HB1 ALA 20 HB1 ALA 20 -8.447 7.087 4.360 153 HB2 ALA 20 HB2 ALA 20 -7.011 7.922 3.766 154 HB3 ALA 20 HB3 ALA 20 -6.841 6.511 4.811 155 H GLU 21 H GLU 21 -9.904 8.585 6.319 156 HA GLU 21 HA GLU 21 -10.444 10.831 4.668 157 HB2 GLU 21 HB2 GLU 21 -12.146 9.169 5.194 158 HB3 GLU 21 HB3 GLU 21 -12.047 9.573 6.901 159 HG2 GLU 21 HG2 GLU 21 -12.865 11.837 6.381 160 HG3 GLU 21 HG3 GLU 21 -13.034 11.359 4.691 161 H VAL 22 H VAL 22 -10.016 10.444 8.176 162 HA VAL 22 HA VAL 22 -10.683 13.190 8.691 163 HB VAL 22 HB VAL 22 -10.153 12.725 11.027 164 HG11 VAL 22 HG11 VAL 22 -11.823 10.971 11.417 165 HG12 VAL 22 HG12 VAL 22 -12.347 12.130 10.196 166 HG13 VAL 22 HG13 VAL 22 -11.756 10.542 9.707 167 HG21 VAL 22 HG21 VAL 22 -9.242 10.018 10.050 168 HG22 VAL 22 HG22 VAL 22 -8.223 11.276 10.754 169 HG23 VAL 22 HG23 VAL 22 -9.452 10.482 11.739 170 H GLU 23 H GLU 23 -7.695 11.392 8.264 171 HA GLU 23 HA GLU 23 -6.126 13.669 9.187 172 HB2 GLU 23 HB2 GLU 23 -5.244 10.986 8.109 173 HB3 GLU 23 HB3 GLU 23 -4.171 12.222 8.753 174 HG2 GLU 23 HG2 GLU 23 -5.341 12.038 10.925 175 HG3 GLU 23 HG3 GLU 23 -6.293 10.712 10.259 176 H ASP 24 H ASP 24 -7.434 12.450 6.322 177 HA ASP 24 HA ASP 24 -7.173 12.838 4.115 178 HB2 ASP 24 HB2 ASP 24 -7.748 15.123 4.736 179 HB3 ASP 24 HB3 ASP 24 -6.060 15.475 5.089 180 H LYS 25 H LYS 25 -5.632 11.126 4.123 181 HA LYS 25 HA LYS 25 -3.082 12.029 3.032 182 HB2 LYS 25 HB2 LYS 25 -3.350 9.945 5.213 183 HB3 LYS 25 HB3 LYS 25 -1.895 10.173 4.241 184 HG2 LYS 25 HG2 LYS 25 -1.786 12.517 5.099 185 HG3 LYS 25 HG3 LYS 25 -3.121 12.118 6.185 186 HD2 LYS 25 HD2 LYS 25 -1.778 10.347 7.196 187 HD3 LYS 25 HD3 LYS 25 -0.449 10.722 6.098 188 HE2 LYS 25 HE2 LYS 25 -0.362 13.004 7.059 189 HE3 LYS 25 HE3 LYS 25 -1.604 12.528 8.218 190 HZ1 LYS 25 HZ1 LYS 25 0.577 12.342 9.202 191 HZ2 LYS 25 HZ2 LYS 25 -0.096 10.796 9.032 192 HZ3 LYS 25 HZ3 LYS 25 1.102 11.333 7.954 193 H LEU 26 H LEU 26 -2.158 10.522 1.570 194 HA LEU 26 HA LEU 26 -4.105 8.935 0.216 195 HB2 LEU 26 HB2 LEU 26 -1.137 9.256 -0.203 196 HB3 LEU 26 HB3 LEU 26 -2.169 8.290 -1.241 197 HG LEU 26 HG LEU 26 -2.477 11.256 -0.782 198 HD11 LEU 26 HD11 LEU 26 -1.424 9.782 -3.193 199 HD12 LEU 26 HD12 LEU 26 -1.624 11.526 -3.030 200 HD13 LEU 26 HD13 LEU 26 -0.437 10.678 -2.037 201 HD21 LEU 26 HD21 LEU 26 -4.060 11.139 -2.644 202 HD22 LEU 26 HD22 LEU 26 -3.867 9.386 -2.697 203 HD23 LEU 26 HD23 LEU 26 -4.588 10.151 -1.281 204 H LEU 27 H LEU 27 -4.741 7.060 0.886 205 HA LEU 27 HA LEU 27 -3.276 5.570 2.838 206 HB2 LEU 27 HB2 LEU 27 -5.733 5.708 2.838 207 HB3 LEU 27 HB3 LEU 27 -5.778 4.861 1.305 208 HG LEU 27 HG LEU 27 -4.825 2.861 2.380 209 HD11 LEU 27 HD11 LEU 27 -5.073 4.461 4.925 210 HD12 LEU 27 HD12 LEU 27 -4.666 2.748 4.814 211 HD13 LEU 27 HD13 LEU 27 -3.567 3.959 4.154 212 HD21 LEU 27 HD21 LEU 27 -7.278 3.942 3.766 213 HD22 LEU 27 HD22 LEU 27 -7.251 3.134 2.199 214 HD23 LEU 27 HD23 LEU 27 -6.808 2.245 3.657 215 H PHE 28 H PHE 28 -1.857 4.001 2.517 216 HA PHE 28 HA PHE 28 -1.741 2.733 -0.137 217 HB2 PHE 28 HB2 PHE 28 0.309 3.926 0.255 218 HB3 PHE 28 HB3 PHE 28 0.447 3.270 1.883 219 HD1 PHE 28 HD1 PHE 28 0.065 1.933 -1.585 220 HD2 PHE 28 HD2 PHE 28 2.057 1.678 2.166 221 HE1 PHE 28 HE1 PHE 28 1.432 0.075 -2.440 222 HE2 PHE 28 HE2 PHE 28 3.426 -0.181 1.316 223 HZ PHE 28 HZ PHE 28 3.113 -0.983 -0.990 224 H VAL 29 H VAL 29 -2.854 0.891 0.029 225 HA VAL 29 HA VAL 29 -2.608 -0.683 2.485 226 HB VAL 29 HB VAL 29 -4.521 -1.076 0.176 227 HG11 VAL 29 HG11 VAL 29 -5.703 -2.583 1.708 228 HG12 VAL 29 HG12 VAL 29 -4.066 -3.143 1.371 229 HG13 VAL 29 HG13 VAL 29 -4.430 -2.356 2.907 230 HG21 VAL 29 HG21 VAL 29 -4.966 1.012 1.359 231 HG22 VAL 29 HG22 VAL 29 -6.231 -0.175 1.671 232 HG23 VAL 29 HG23 VAL 29 -5.000 0.142 2.892 233 H ASP 30 H ASP 30 -1.103 -2.183 2.507 234 HA ASP 30 HA ASP 30 -0.079 -3.383 0.098 235 HB2 ASP 30 HB2 ASP 30 1.456 -3.038 1.950 236 HB3 ASP 30 HB3 ASP 30 0.434 -3.988 3.022 237 H CYS 31 H CYS 31 -1.640 -4.525 -0.904 238 HA CYS 31 HA CYS 31 -2.998 -6.622 0.619 239 HB2 CYS 31 HB2 CYS 31 -3.391 -5.590 -2.195 240 HB3 CYS 31 HB3 CYS 31 -4.266 -6.965 -1.525 241 HG CYS 31 HG CYS 31 -4.531 -4.408 0.518 242 H PHE 32 H PHE 32 -1.966 -8.455 0.773 243 HA PHE 32 HA PHE 32 -0.104 -9.206 -1.373 244 HB2 PHE 32 HB2 PHE 32 1.294 -10.237 0.396 245 HB3 PHE 32 HB3 PHE 32 1.113 -8.498 0.614 246 HD1 PHE 32 HD1 PHE 32 -0.272 -7.607 2.417 247 HD2 PHE 32 HD2 PHE 32 0.357 -11.791 1.968 248 HE1 PHE 32 HE1 PHE 32 -1.103 -7.975 4.701 249 HE2 PHE 32 HE2 PHE 32 -0.478 -12.165 4.249 250 HZ PHE 32 HZ PHE 32 -1.210 -10.255 5.621 251 H THR 33 H THR 33 0.222 -11.448 -1.710 252 HA THR 33 HA THR 33 -1.897 -13.180 -0.669 253 HB THR 33 HB THR 33 -0.885 -14.846 -2.319 254 HG1 THR 33 HG1 THR 33 0.163 -13.002 -3.950 255 HG21 THR 33 HG21 THR 33 -2.953 -13.625 -2.794 256 HG22 THR 33 HG22 THR 33 -2.013 -12.274 -3.425 257 HG23 THR 33 HG23 THR 33 -1.987 -13.828 -4.254 258 H THR 34 H THR 34 -1.320 -15.158 0.417 259 HA THR 34 HA THR 34 0.916 -14.715 2.158 260 HB THR 34 HB THR 34 -1.338 -15.665 2.855 261 HG1 THR 34 HG1 THR 34 0.494 -15.703 4.234 262 HG21 THR 34 HG21 THR 34 -0.128 -18.204 1.755 263 HG22 THR 34 HG22 THR 34 -1.597 -18.095 2.727 264 HG23 THR 34 HG23 THR 34 -1.549 -17.373 1.119 265 H TRP 35 H TRP 35 1.035 -15.728 -0.845 266 HA TRP 35 HA TRP 35 2.619 -18.063 -0.806 267 HB2 TRP 35 HB2 TRP 35 2.305 -15.792 -2.762 268 HB3 TRP 35 HB3 TRP 35 3.459 -17.087 -3.045 269 HD1 TRP 35 HD1 TRP 35 2.538 -18.763 -4.667 270 HE1 TRP 35 HE1 TRP 35 0.242 -19.774 -5.246 271 HE3 TRP 35 HE3 TRP 35 -0.302 -16.286 -1.225 272 HZ2 TRP 35 HZ2 TRP 35 -2.419 -19.542 -4.351 273 HZ3 TRP 35 HZ3 TRP 35 -2.725 -16.739 -1.158 274 HH2 TRP 35 HH2 TRP 35 -3.756 -18.334 -2.686 275 H CYS 36 H CYS 36 4.012 -17.729 0.946 276 HA CYS 36 HA CYS 36 5.984 -17.295 1.935 277 HB2 CYS 36 HB2 CYS 36 6.753 -15.917 -0.645 278 HB3 CYS 36 HB3 CYS 36 7.856 -16.338 0.661 279 HG CYS 36 HG CYS 36 8.140 -18.875 0.118 280 H GLY 37 H GLY 37 4.933 -14.463 0.060 281 HA2 GLY 37 HA2 GLY 37 4.045 -12.544 1.302 282 HA3 GLY 37 HA3 GLY 37 5.290 -12.846 2.509 283 HA PRO 38 HA PRO 38 7.333 -11.167 -1.648 284 HB2 PRO 38 HB2 PRO 38 5.113 -9.340 -2.392 285 HB3 PRO 38 HB3 PRO 38 6.156 -10.326 -3.423 286 HG2 PRO 38 HG2 PRO 38 3.629 -11.025 -2.990 287 HG3 PRO 38 HG3 PRO 38 4.912 -12.247 -3.069 288 HD2 PRO 38 HD2 PRO 38 3.535 -11.099 -0.671 289 HD3 PRO 38 HD3 PRO 38 4.019 -12.777 -0.998 290 H CYS 39 H CYS 39 5.082 -9.188 0.257 291 HA CYS 39 HA CYS 39 6.624 -6.831 0.120 292 HB2 CYS 39 HB2 CYS 39 5.184 -6.140 2.107 293 HB3 CYS 39 HB3 CYS 39 4.347 -6.549 0.617 294 HG CYS 39 HG CYS 39 2.718 -7.556 2.490 295 H LYS 40 H LYS 40 6.937 -9.671 2.060 296 HA LYS 40 HA LYS 40 8.385 -8.570 4.231 297 HB2 LYS 40 HB2 LYS 40 8.521 -11.331 2.999 298 HB3 LYS 40 HB3 LYS 40 9.328 -10.878 4.490 299 HG2 LYS 40 HG2 LYS 40 7.106 -10.370 5.478 300 HG3 LYS 40 HG3 LYS 40 6.358 -10.985 4.000 301 HD2 LYS 40 HD2 LYS 40 7.397 -13.156 4.352 302 HD3 LYS 40 HD3 LYS 40 8.221 -12.551 5.786 303 HE2 LYS 40 HE2 LYS 40 6.344 -13.815 6.522 304 HE3 LYS 40 HE3 LYS 40 5.969 -12.114 6.789 305 HZ1 LYS 40 HZ1 LYS 40 4.542 -12.091 4.918 306 HZ2 LYS 40 HZ2 LYS 40 5.068 -13.617 4.399 307 HZ3 LYS 40 HZ3 LYS 40 4.141 -13.475 5.806 308 H ARG 41 H ARG 41 9.500 -10.167 1.260 309 HA ARG 41 HA ARG 41 12.241 -9.648 1.634 310 HB2 ARG 41 HB2 ARG 41 11.519 -11.365 0.101 311 HB3 ARG 41 HB3 ARG 41 10.640 -10.193 -0.870 312 HG2 ARG 41 HG2 ARG 41 12.701 -9.175 -1.596 313 HG3 ARG 41 HG3 ARG 41 13.631 -10.220 -0.519 314 HD2 ARG 41 HD2 ARG 41 13.024 -12.167 -1.765 315 HD3 ARG 41 HD3 ARG 41 11.862 -11.256 -2.727 316 HE ARG 41 HE ARG 41 13.865 -10.021 -3.612 317 HH11 ARG 41 HH11 ARG 41 14.149 -13.287 -2.373 318 HH12 ARG 41 HH12 ARG 41 15.486 -13.697 -3.406 319 HH21 ARG 41 HH21 ARG 41 15.640 -10.542 -4.955 320 HH22 ARG 41 HH22 ARG 41 16.358 -12.121 -4.844 321 H LEU 42 H LEU 42 9.671 -7.853 0.022 322 HA LEU 42 HA LEU 42 11.252 -5.814 -1.093 323 HB2 LEU 42 HB2 LEU 42 8.399 -5.746 -0.114 324 HB3 LEU 42 HB3 LEU 42 9.155 -4.464 -1.041 325 HG LEU 42 HG LEU 42 8.743 -7.292 -2.015 326 HD11 LEU 42 HD11 LEU 42 7.273 -4.746 -2.670 327 HD12 LEU 42 HD12 LEU 42 7.052 -6.292 -3.487 328 HD13 LEU 42 HD13 LEU 42 6.629 -6.128 -1.781 329 HD21 LEU 42 HD21 LEU 42 9.402 -6.396 -4.188 330 HD22 LEU 42 HD22 LEU 42 9.707 -4.822 -3.454 331 HD23 LEU 42 HD23 LEU 42 10.698 -6.211 -3.006 332 H SER 43 H SER 43 9.652 -6.072 2.065 333 HA SER 43 HA SER 43 10.057 -3.509 3.020 334 HB2 SER 43 HB2 SER 43 8.676 -5.264 4.115 335 HB3 SER 43 HB3 SER 43 10.153 -6.076 4.625 336 HG SER 43 HG SER 43 8.996 -3.699 5.547 337 H LYS 44 H LYS 44 12.306 -6.180 2.864 338 HA LYS 44 HA LYS 44 14.238 -5.195 4.663 339 HB2 LYS 44 HB2 LYS 44 13.991 -7.561 3.834 340 HB3 LYS 44 HB3 LYS 44 14.681 -7.039 2.309 341 HG2 LYS 44 HG2 LYS 44 16.176 -6.622 4.865 342 HG3 LYS 44 HG3 LYS 44 16.182 -8.192 4.065 343 HD2 LYS 44 HD2 LYS 44 16.974 -7.033 1.988 344 HD3 LYS 44 HD3 LYS 44 17.132 -5.559 2.945 345 HE2 LYS 44 HE2 LYS 44 19.276 -6.635 2.794 346 HE3 LYS 44 HE3 LYS 44 18.686 -6.746 4.452 347 HZ1 LYS 44 HZ1 LYS 44 18.000 -9.020 4.032 348 HZ2 LYS 44 HZ2 LYS 44 18.525 -8.914 2.423 349 HZ3 LYS 44 HZ3 LYS 44 19.649 -8.836 3.684 350 H VAL 45 H VAL 45 13.657 -4.617 1.245 351 HA VAL 45 HA VAL 45 16.215 -3.169 1.076 352 HB VAL 45 HB VAL 45 14.558 -4.292 -1.183 353 HG11 VAL 45 HG11 VAL 45 17.307 -3.051 -1.189 354 HG12 VAL 45 HG12 VAL 45 16.511 -3.797 -2.575 355 HG13 VAL 45 HG13 VAL 45 15.841 -2.335 -1.855 356 HG21 VAL 45 HG21 VAL 45 17.132 -5.291 0.030 357 HG22 VAL 45 HG22 VAL 45 15.548 -6.050 0.183 358 HG23 VAL 45 HG23 VAL 45 16.334 -5.960 -1.393 359 H VAL 46 H VAL 46 12.773 -2.911 0.157 360 HA VAL 46 HA VAL 46 13.236 -0.396 -1.158 361 HB VAL 46 HB VAL 46 10.892 -0.329 -1.641 362 HG11 VAL 46 HG11 VAL 46 12.258 -1.791 -3.018 363 HG12 VAL 46 HG12 VAL 46 11.966 -3.130 -1.909 364 HG13 VAL 46 HG13 VAL 46 10.632 -2.451 -2.842 365 HG21 VAL 46 HG21 VAL 46 9.313 -2.008 -0.811 366 HG22 VAL 46 HG22 VAL 46 10.577 -2.675 0.223 367 HG23 VAL 46 HG23 VAL 46 9.985 -1.036 0.499 368 H PHE 47 H PHE 47 12.402 -1.327 2.038 369 HA PHE 47 HA PHE 47 11.676 1.457 2.670 370 HB2 PHE 47 HB2 PHE 47 10.959 -1.097 4.119 371 HB3 PHE 47 HB3 PHE 47 10.579 0.521 4.705 372 HD1 PHE 47 HD1 PHE 47 9.638 1.919 2.376 373 HD2 PHE 47 HD2 PHE 47 8.996 -2.129 3.520 374 HE1 PHE 47 HE1 PHE 47 7.542 1.889 1.088 375 HE2 PHE 47 HE2 PHE 47 6.898 -2.162 2.234 376 HZ PHE 47 HZ PHE 47 6.171 -0.151 1.016 377 H LYS 48 H LYS 48 14.383 0.272 2.448 378 HA LYS 48 HA LYS 48 15.297 0.055 5.197 379 HB2 LYS 48 HB2 LYS 48 16.052 -1.411 3.223 380 HB3 LYS 48 HB3 LYS 48 17.018 -0.029 2.730 381 HG2 LYS 48 HG2 LYS 48 18.378 -1.580 3.971 382 HG3 LYS 48 HG3 LYS 48 18.175 -0.095 4.903 383 HD2 LYS 48 HD2 LYS 48 16.540 -1.121 6.314 384 HD3 LYS 48 HD3 LYS 48 16.490 -2.563 5.295 385 HE2 LYS 48 HE2 LYS 48 18.826 -3.037 5.873 386 HE3 LYS 48 HE3 LYS 48 18.859 -1.604 6.899 387 HZ1 LYS 48 HZ1 LYS 48 18.470 -3.764 8.069 388 HZ2 LYS 48 HZ2 LYS 48 17.312 -2.566 8.380 389 HZ3 LYS 48 HZ3 LYS 48 16.956 -3.839 7.313 390 H ASP 49 H ASP 49 15.334 2.320 2.547 391 HA ASP 49 HA ASP 49 17.475 3.945 3.524 392 HB2 ASP 49 HB2 ASP 49 16.824 3.906 1.142 393 HB3 ASP 49 HB3 ASP 49 15.284 4.650 1.557 394 H SER 50 H SER 50 17.446 5.721 4.785 395 HA SER 50 HA SER 50 15.336 5.932 6.664 396 HB2 SER 50 HB2 SER 50 17.686 6.321 7.261 397 HB3 SER 50 HB3 SER 50 17.726 7.740 6.215 398 HG SER 50 HG SER 50 16.079 7.378 8.508 399 H LEU 51 H LEU 51 16.359 7.964 3.937 400 HA LEU 51 HA LEU 51 14.622 10.122 4.556 401 HB2 LEU 51 HB2 LEU 51 15.848 9.367 1.905 402 HB3 LEU 51 HB3 LEU 51 15.135 10.914 2.303 403 HG LEU 51 HG LEU 51 17.638 9.744 3.502 404 HD11 LEU 51 HD11 LEU 51 17.225 12.130 1.709 405 HD12 LEU 51 HD12 LEU 51 18.759 11.578 2.380 406 HD13 LEU 51 HD13 LEU 51 17.895 10.575 1.218 407 HD21 LEU 51 HD21 LEU 51 16.446 11.006 5.189 408 HD22 LEU 51 HD22 LEU 51 17.859 11.910 4.649 409 HD23 LEU 51 HD23 LEU 51 16.252 12.360 4.078 410 H VAL 52 H VAL 52 14.437 7.487 2.180 411 HA VAL 52 HA VAL 52 11.921 8.131 1.117 412 HB VAL 52 HB VAL 52 13.190 5.396 1.391 413 HG11 VAL 52 HG11 VAL 52 10.957 6.332 -0.412 414 HG12 VAL 52 HG12 VAL 52 11.727 4.747 -0.467 415 HG13 VAL 52 HG13 VAL 52 10.797 5.226 0.953 416 HG21 VAL 52 HG21 VAL 52 13.252 7.396 -0.867 417 HG22 VAL 52 HG22 VAL 52 14.606 6.938 0.166 418 HG23 VAL 52 HG23 VAL 52 13.900 5.758 -0.937 419 H ALA 53 H ALA 53 12.808 6.072 3.861 420 HA ALA 53 HA ALA 53 10.308 4.937 4.359 421 HB1 ALA 53 HB1 ALA 53 11.161 4.466 6.601 422 HB2 ALA 53 HB2 ALA 53 12.365 4.115 5.362 423 HB3 ALA 53 HB3 ALA 53 12.496 5.585 6.330 424 H ASP 54 H ASP 54 11.765 7.848 5.801 425 HA ASP 54 HA ASP 54 9.614 8.414 7.537 426 HB2 ASP 54 HB2 ASP 54 11.817 9.360 7.903 427 HB3 ASP 54 HB3 ASP 54 11.724 10.245 6.384 428 H TYR 55 H TYR 55 10.467 9.775 4.383 429 HA TYR 55 HA TYR 55 8.358 11.622 4.212 430 HB2 TYR 55 HB2 TYR 55 10.374 11.717 2.815 431 HB3 TYR 55 HB3 TYR 55 9.902 10.223 2.017 432 HD1 TYR 55 HD1 TYR 55 8.896 13.763 2.519 433 HD2 TYR 55 HD2 TYR 55 8.510 10.268 0.123 434 HE1 TYR 55 HE1 TYR 55 7.704 15.071 0.811 435 HE2 TYR 55 HE2 TYR 55 7.320 11.566 -1.594 436 HH TYR 55 HH TYR 55 6.002 13.648 -1.753 437 H PHE 56 H PHE 56 8.669 8.309 3.034 438 HA PHE 56 HA PHE 56 6.235 8.285 1.590 439 HB2 PHE 56 HB2 PHE 56 8.173 6.769 1.175 440 HB3 PHE 56 HB3 PHE 56 7.795 5.931 2.675 441 HD1 PHE 56 HD1 PHE 56 6.557 6.720 -0.698 442 HD2 PHE 56 HD2 PHE 56 6.114 4.285 2.759 443 HE1 PHE 56 HE1 PHE 56 5.024 5.257 -1.936 444 HE2 PHE 56 HE2 PHE 56 4.574 2.812 1.530 445 HZ PHE 56 HZ PHE 56 4.025 3.295 -0.824 446 H ASN 57 H ASN 57 7.124 6.981 4.790 447 HA ASN 57 HA ASN 57 4.609 5.715 5.161 448 HB2 ASN 57 HB2 ASN 57 6.671 4.948 6.262 449 HB3 ASN 57 HB3 ASN 57 6.702 6.422 7.221 450 HD21 ASN 57 HD21 ASN 57 5.460 6.551 9.024 451 HD22 ASN 57 HD22 ASN 57 4.449 5.277 9.596 452 H ARG 58 H ARG 58 5.780 8.928 5.970 453 HA ARG 58 HA ARG 58 3.545 9.346 7.766 454 HB2 ARG 58 HB2 ARG 58 5.825 11.120 6.938 455 HB3 ARG 58 HB3 ARG 58 4.501 11.685 7.952 456 HG2 ARG 58 HG2 ARG 58 5.053 9.743 9.493 457 HG3 ARG 58 HG3 ARG 58 6.542 9.574 8.562 458 HD2 ARG 58 HD2 ARG 58 5.658 12.094 9.958 459 HD3 ARG 58 HD3 ARG 58 6.810 10.932 10.614 460 HE ARG 58 HE ARG 58 8.250 11.479 8.686 461 HH11 ARG 58 HH11 ARG 58 5.753 13.740 9.644 462 HH12 ARG 58 HH12 ARG 58 6.584 15.121 8.986 463 HH21 ARG 58 HH21 ARG 58 9.330 13.288 7.809 464 HH22 ARG 58 HH22 ARG 58 8.594 14.865 7.941 465 H HIS 59 H HIS 59 4.312 10.052 4.437 466 HA HIS 59 HA HIS 59 1.982 11.802 4.231 467 HB2 HIS 59 HB2 HIS 59 4.152 11.020 2.312 468 HB3 HIS 59 HB3 HIS 59 2.652 11.721 1.715 469 HD1 HIS 59 HD1 HIS 59 2.178 14.205 2.305 470 HD2 HIS 59 HD2 HIS 59 5.875 12.793 3.598 471 HE1 HIS 59 HE1 HIS 59 3.514 16.248 2.916 472 HE2 HIS 59 HE2 HIS 59 5.640 15.352 3.919 473 H PHE 60 H PHE 60 3.053 8.607 3.200 474 HA PHE 60 HA PHE 60 0.293 8.033 2.344 475 HB2 PHE 60 HB2 PHE 60 2.753 6.413 1.708 476 HB3 PHE 60 HB3 PHE 60 1.159 6.241 0.996 477 HD1 PHE 60 HD1 PHE 60 0.353 7.852 -0.655 478 HD2 PHE 60 HD2 PHE 60 4.285 8.106 0.949 479 HE1 PHE 60 HE1 PHE 60 0.998 9.363 -2.487 480 HE2 PHE 60 HE2 PHE 60 4.940 9.615 -0.879 481 HZ PHE 60 HZ PHE 60 3.294 10.247 -2.601 482 H VAL 61 H VAL 61 -0.829 6.894 3.741 483 HA VAL 61 HA VAL 61 0.392 5.869 6.115 484 HB VAL 61 HB VAL 61 -2.464 5.505 5.201 485 HG11 VAL 61 HG11 VAL 61 -1.807 3.988 6.989 486 HG12 VAL 61 HG12 VAL 61 -1.216 5.352 7.940 487 HG13 VAL 61 HG13 VAL 61 -2.937 5.207 7.582 488 HG21 VAL 61 HG21 VAL 61 -1.279 7.683 6.919 489 HG22 VAL 61 HG22 VAL 61 -1.855 7.876 5.262 490 HG23 VAL 61 HG23 VAL 61 -2.990 7.466 6.550 491 H ASN 62 H ASN 62 1.360 3.967 6.257 492 HA ASN 62 HA ASN 62 0.927 1.940 4.246 493 HB2 ASN 62 HB2 ASN 62 2.788 2.160 6.602 494 HB3 ASN 62 HB3 ASN 62 2.605 0.649 5.721 495 HD21 ASN 62 HD21 ASN 62 2.482 3.842 4.245 496 HD22 ASN 62 HD22 ASN 62 3.947 3.671 3.346 497 H LEU 63 H LEU 63 -0.777 0.729 4.368 498 HA LEU 63 HA LEU 63 -1.649 -0.300 6.988 499 HB2 LEU 63 HB2 LEU 63 -3.333 1.113 5.934 500 HB3 LEU 63 HB3 LEU 63 -3.220 0.182 4.453 501 HG LEU 63 HG LEU 63 -4.077 -1.804 5.737 502 HD11 LEU 63 HD11 LEU 63 -3.503 -1.050 7.982 503 HD12 LEU 63 HD12 LEU 63 -4.640 0.289 7.834 504 HD13 LEU 63 HD13 LEU 63 -5.231 -1.373 7.849 505 HD21 LEU 63 HD21 LEU 63 -5.844 0.636 5.595 506 HD22 LEU 63 HD22 LEU 63 -5.515 -0.490 4.279 507 HD23 LEU 63 HD23 LEU 63 -6.400 -1.034 5.703 508 H LYS 64 H LYS 64 -1.944 -2.504 7.197 509 HA LYS 64 HA LYS 64 -1.230 -4.123 4.837 510 HB2 LYS 64 HB2 LYS 64 0.421 -4.275 6.668 511 HB3 LYS 64 HB3 LYS 64 -0.852 -4.807 7.762 512 HG2 LYS 64 HG2 LYS 64 -1.202 -6.704 6.030 513 HG3 LYS 64 HG3 LYS 64 0.417 -6.267 5.482 514 HD2 LYS 64 HD2 LYS 64 -0.361 -7.096 8.278 515 HD3 LYS 64 HD3 LYS 64 0.509 -8.083 7.104 516 HE2 LYS 64 HE2 LYS 64 2.403 -6.635 7.185 517 HE3 LYS 64 HE3 LYS 64 1.518 -5.434 8.123 518 HZ1 LYS 64 HZ1 LYS 64 2.994 -6.718 9.530 519 HZ2 LYS 64 HZ2 LYS 64 1.379 -7.014 9.949 520 HZ3 LYS 64 HZ3 LYS 64 2.241 -8.161 9.054 521 H MET 65 H MET 65 -2.865 -5.289 4.040 522 HA MET 65 HA MET 65 -4.863 -6.369 5.887 523 HB2 MET 65 HB2 MET 65 -5.490 -4.712 3.443 524 HB3 MET 65 HB3 MET 65 -6.655 -5.810 4.170 525 HG2 MET 65 HG2 MET 65 -6.441 -4.558 6.292 526 HG3 MET 65 HG3 MET 65 -5.388 -3.411 5.467 527 HE1 MET 65 HE1 MET 65 -8.984 -4.898 5.752 528 HE2 MET 65 HE2 MET 65 -9.844 -4.056 4.464 529 HE3 MET 65 HE3 MET 65 -8.599 -5.239 4.066 530 H ASP 66 H ASP 66 -5.938 -8.226 5.116 531 HA ASP 66 HA ASP 66 -4.321 -9.714 3.202 532 HB2 ASP 66 HB2 ASP 66 -5.417 -10.520 5.549 533 HB3 ASP 66 HB3 ASP 66 -6.666 -11.003 4.396 534 H MET 67 H MET 67 -5.324 -11.014 1.592 535 HA MET 67 HA MET 67 -7.785 -9.816 0.511 536 HB2 MET 67 HB2 MET 67 -5.309 -10.859 -0.757 537 HB3 MET 67 HB3 MET 67 -6.808 -10.792 -1.683 538 HG2 MET 67 HG2 MET 67 -6.922 -8.355 -1.110 539 HG3 MET 67 HG3 MET 67 -5.301 -8.508 -0.435 540 HE1 MET 67 HE1 MET 67 -3.287 -9.641 -3.633 541 HE2 MET 67 HE2 MET 67 -3.223 -9.392 -1.887 542 HE3 MET 67 HE3 MET 67 -4.161 -10.729 -2.554 543 H GLU 68 H GLU 68 -6.737 -12.389 2.133 544 HA GLU 68 HA GLU 68 -8.611 -14.220 0.788 545 HB2 GLU 68 HB2 GLU 68 -6.318 -15.086 0.920 546 HB3 GLU 68 HB3 GLU 68 -6.313 -14.835 2.660 547 HG2 GLU 68 HG2 GLU 68 -8.125 -16.471 2.885 548 HG3 GLU 68 HG3 GLU 68 -8.077 -16.743 1.144 549 H LYS 69 H LYS 69 -7.559 -12.860 3.855 550 HA LYS 69 HA LYS 69 -10.064 -13.794 5.076 551 HB2 LYS 69 HB2 LYS 69 -7.874 -14.778 5.944 552 HB3 LYS 69 HB3 LYS 69 -7.510 -13.172 6.561 553 HG2 LYS 69 HG2 LYS 69 -9.533 -13.239 7.922 554 HG3 LYS 69 HG3 LYS 69 -9.887 -14.854 7.305 555 HD2 LYS 69 HD2 LYS 69 -7.643 -15.562 8.223 556 HD3 LYS 69 HD3 LYS 69 -7.584 -13.998 9.043 557 HE2 LYS 69 HE2 LYS 69 -8.443 -15.637 10.577 558 HE3 LYS 69 HE3 LYS 69 -9.751 -14.545 10.126 559 HZ1 LYS 69 HZ1 LYS 69 -10.346 -16.281 8.398 560 HZ2 LYS 69 HZ2 LYS 69 -9.300 -17.331 9.227 561 HZ3 LYS 69 HZ3 LYS 69 -10.656 -16.685 10.014 562 H GLY 70 H GLY 70 -11.142 -12.341 6.470 563 HA2 GLY 70 HA2 GLY 70 -11.707 -10.314 7.405 564 HA3 GLY 70 HA3 GLY 70 -10.087 -9.745 7.041 565 H GLU 71 H GLU 71 -12.852 -10.813 5.068 566 HA GLU 71 HA GLU 71 -14.018 -9.829 3.387 567 HB2 GLU 71 HB2 GLU 71 -12.926 -7.257 4.544 568 HB3 GLU 71 HB3 GLU 71 -14.209 -7.366 3.347 569 HG2 GLU 71 HG2 GLU 71 -14.316 -8.457 6.148 570 HG3 GLU 71 HG3 GLU 71 -15.092 -6.980 5.580 571 H GLY 72 H GLY 72 -11.112 -10.529 3.163 572 HA2 GLY 72 HA2 GLY 72 -9.858 -8.661 1.425 573 HA3 GLY 72 HA3 GLY 72 -9.349 -10.318 1.710 574 H VAL 73 H VAL 73 -11.918 -11.441 0.903 575 HA VAL 73 HA VAL 73 -11.369 -11.890 -1.805 576 HB VAL 73 HB VAL 73 -13.604 -12.957 -1.928 577 HG11 VAL 73 HG11 VAL 73 -11.693 -14.223 -1.121 578 HG12 VAL 73 HG12 VAL 73 -11.977 -13.637 0.519 579 HG13 VAL 73 HG13 VAL 73 -13.154 -14.700 -0.253 580 HG21 VAL 73 HG21 VAL 73 -14.998 -13.093 0.070 581 HG22 VAL 73 HG22 VAL 73 -13.896 -12.012 0.922 582 HG23 VAL 73 HG23 VAL 73 -14.819 -11.420 -0.458 583 H GLU 74 H GLU 74 -13.470 -9.543 -0.247 584 HA GLU 74 HA GLU 74 -14.816 -8.681 -2.587 585 HB2 GLU 74 HB2 GLU 74 -15.585 -8.210 -0.265 586 HB3 GLU 74 HB3 GLU 74 -14.225 -7.116 -0.065 587 HG2 GLU 74 HG2 GLU 74 -16.257 -5.895 -0.526 588 HG3 GLU 74 HG3 GLU 74 -15.100 -5.692 -1.839 589 H LEU 75 H LEU 75 -11.914 -7.582 -0.897 590 HA LEU 75 HA LEU 75 -11.320 -5.364 -2.515 591 HB2 LEU 75 HB2 LEU 75 -9.338 -7.153 -1.103 592 HB3 LEU 75 HB3 LEU 75 -9.090 -5.488 -1.592 593 HG LEU 75 HG LEU 75 -11.036 -6.404 0.530 594 HD11 LEU 75 HD11 LEU 75 -9.481 -5.339 2.093 595 HD12 LEU 75 HD12 LEU 75 -8.722 -6.679 1.231 596 HD13 LEU 75 HD13 LEU 75 -8.369 -5.015 0.763 597 HD21 LEU 75 HD21 LEU 75 -11.290 -4.038 1.032 598 HD22 LEU 75 HD22 LEU 75 -10.207 -3.622 -0.295 599 HD23 LEU 75 HD23 LEU 75 -11.767 -4.371 -0.632 600 H ARG 76 H ARG 76 -10.266 -8.732 -2.689 601 HA ARG 76 HA ARG 76 -8.409 -8.543 -4.738 602 HB2 ARG 76 HB2 ARG 76 -8.782 -10.533 -3.341 603 HB3 ARG 76 HB3 ARG 76 -10.307 -10.821 -4.161 604 HG2 ARG 76 HG2 ARG 76 -9.011 -11.041 -6.297 605 HG3 ARG 76 HG3 ARG 76 -7.539 -10.996 -5.322 606 HD2 ARG 76 HD2 ARG 76 -8.243 -13.296 -5.829 607 HD3 ARG 76 HD3 ARG 76 -8.261 -12.961 -4.097 608 HE ARG 76 HE ARG 76 -10.788 -12.586 -5.468 609 HH11 ARG 76 HH11 ARG 76 -8.750 -14.831 -3.705 610 HH12 ARG 76 HH12 ARG 76 -10.085 -15.791 -3.146 611 HH21 ARG 76 HH21 ARG 76 -12.536 -13.846 -4.748 612 HH22 ARG 76 HH22 ARG 76 -12.236 -15.246 -3.749 613 H LYS 77 H LYS 77 -11.907 -9.176 -4.991 614 HA LYS 77 HA LYS 77 -11.811 -9.333 -7.852 615 HB2 LYS 77 HB2 LYS 77 -13.490 -10.500 -6.352 616 HB3 LYS 77 HB3 LYS 77 -14.259 -8.934 -6.132 617 HG2 LYS 77 HG2 LYS 77 -15.442 -10.153 -7.821 618 HG3 LYS 77 HG3 LYS 77 -14.597 -8.801 -8.579 619 HD2 LYS 77 HD2 LYS 77 -12.796 -10.321 -9.262 620 HD3 LYS 77 HD3 LYS 77 -13.662 -11.672 -8.528 621 HE2 LYS 77 HE2 LYS 77 -15.561 -11.203 -10.066 622 HE3 LYS 77 HE3 LYS 77 -14.567 -9.977 -10.851 623 HZ1 LYS 77 HZ1 LYS 77 -14.470 -12.045 -12.071 624 HZ2 LYS 77 HZ2 LYS 77 -12.949 -11.715 -11.394 625 HZ3 LYS 77 HZ3 LYS 77 -13.955 -12.882 -10.691 626 H LYS 78 H LYS 78 -12.339 -6.835 -5.493 627 HA LYS 78 HA LYS 78 -13.804 -5.068 -7.188 628 HB2 LYS 78 HB2 LYS 78 -13.956 -4.974 -4.730 629 HB3 LYS 78 HB3 LYS 78 -12.272 -4.478 -4.647 630 HG2 LYS 78 HG2 LYS 78 -12.833 -2.425 -5.872 631 HG3 LYS 78 HG3 LYS 78 -14.527 -2.920 -5.899 632 HD2 LYS 78 HD2 LYS 78 -14.570 -2.906 -3.451 633 HD3 LYS 78 HD3 LYS 78 -12.874 -2.420 -3.421 634 HE2 LYS 78 HE2 LYS 78 -14.208 -0.470 -3.067 635 HE3 LYS 78 HE3 LYS 78 -13.511 -0.364 -4.681 636 HZ1 LYS 78 HZ1 LYS 78 -16.289 -1.202 -4.029 637 HZ2 LYS 78 HZ2 LYS 78 -15.827 0.287 -4.700 638 HZ3 LYS 78 HZ3 LYS 78 -15.628 -1.144 -5.589 639 H TYR 79 H TYR 79 -10.404 -5.383 -6.308 640 HA TYR 79 HA TYR 79 -9.795 -3.023 -7.940 641 HB2 TYR 79 HB2 TYR 79 -8.056 -4.473 -5.939 642 HB3 TYR 79 HB3 TYR 79 -7.657 -2.968 -6.765 643 HD1 TYR 79 HD1 TYR 79 -9.634 -1.123 -6.509 644 HD2 TYR 79 HD2 TYR 79 -8.782 -4.260 -3.762 645 HE1 TYR 79 HE1 TYR 79 -10.728 0.155 -4.716 646 HE2 TYR 79 HE2 TYR 79 -9.873 -2.987 -1.966 647 HH TYR 79 HH TYR 79 -10.422 -0.633 -1.445 648 H GLY 80 H GLY 80 -10.092 -6.164 -8.491 649 HA2 GLY 80 HA2 GLY 80 -9.357 -7.531 -10.183 650 HA3 GLY 80 HA3 GLY 80 -8.692 -6.085 -10.922 651 H VAL 81 H VAL 81 -7.985 -8.087 -8.083 652 HA VAL 81 HA VAL 81 -5.182 -7.583 -8.279 653 HB VAL 81 HB VAL 81 -6.659 -9.632 -6.621 654 HG11 VAL 81 HG11 VAL 81 -4.307 -10.218 -6.908 655 HG12 VAL 81 HG12 VAL 81 -3.833 -8.600 -6.392 656 HG13 VAL 81 HG13 VAL 81 -4.627 -9.690 -5.254 657 HG21 VAL 81 HG21 VAL 81 -6.392 -8.011 -4.804 658 HG22 VAL 81 HG22 VAL 81 -5.656 -6.871 -5.930 659 HG23 VAL 81 HG23 VAL 81 -7.343 -7.346 -6.131 660 H HIS 82 H HIS 82 -3.865 -8.479 -9.659 661 HA HIS 82 HA HIS 82 -4.213 -11.296 -10.407 662 HB2 HIS 82 HB2 HIS 82 -3.692 -8.995 -12.305 663 HB3 HIS 82 HB3 HIS 82 -3.499 -10.689 -12.742 664 HD1 HIS 82 HD1 HIS 82 -5.886 -8.034 -12.894 665 HD2 HIS 82 HD2 HIS 82 -6.083 -12.152 -12.328 666 HE1 HIS 82 HE1 HIS 82 -8.259 -8.682 -13.416 667 HE2 HIS 82 HE2 HIS 82 -8.296 -11.197 -13.259 668 H ALA 83 H ALA 83 -2.520 -10.143 -8.456 669 HA ALA 83 HA ALA 83 0.065 -10.996 -9.471 670 HB1 ALA 83 HB1 ALA 83 -0.313 -8.260 -8.247 671 HB2 ALA 83 HB2 ALA 83 1.229 -8.994 -8.686 672 HB3 ALA 83 HB3 ALA 83 0.058 -8.587 -9.939 673 H TYR 84 H TYR 84 1.702 -10.618 -7.451 674 HA TYR 84 HA TYR 84 0.372 -11.926 -5.205 675 HB2 TYR 84 HB2 TYR 84 3.304 -11.477 -5.774 676 HB3 TYR 84 HB3 TYR 84 2.686 -12.276 -4.335 677 HD1 TYR 84 HD1 TYR 84 0.962 -14.263 -4.899 678 HD2 TYR 84 HD2 TYR 84 4.003 -12.837 -7.510 679 HE1 TYR 84 HE1 TYR 84 0.936 -16.412 -6.093 680 HE2 TYR 84 HE2 TYR 84 3.985 -14.983 -8.712 681 HH TYR 84 HH TYR 84 1.531 -17.293 -8.328 682 HA PRO 85 HA PRO 85 1.675 -7.928 -3.108 683 HB2 PRO 85 HB2 PRO 85 3.492 -6.279 -4.474 684 HB3 PRO 85 HB3 PRO 85 3.871 -7.370 -3.141 685 HG2 PRO 85 HG2 PRO 85 4.741 -7.608 -5.807 686 HG3 PRO 85 HG3 PRO 85 4.889 -8.830 -4.532 687 HD2 PRO 85 HD2 PRO 85 2.879 -8.600 -6.720 688 HD3 PRO 85 HD3 PRO 85 3.548 -10.052 -5.946 689 H THR 86 H THR 86 -0.107 -6.668 -3.258 690 HA THR 86 HA THR 86 -0.588 -5.268 -5.810 691 HB THR 86 HB THR 86 -2.723 -6.006 -3.808 692 HG1 THR 86 HG1 THR 86 -1.628 -7.886 -4.665 693 HG21 THR 86 HG21 THR 86 -2.814 -5.279 -6.742 694 HG22 THR 86 HG22 THR 86 -4.205 -5.706 -5.747 695 HG23 THR 86 HG23 THR 86 -3.293 -4.236 -5.402 696 H LEU 87 H LEU 87 -0.465 -3.131 -5.719 697 HA LEU 87 HA LEU 87 -0.321 -1.869 -3.081 698 HB2 LEU 87 HB2 LEU 87 0.563 -0.899 -5.803 699 HB3 LEU 87 HB3 LEU 87 0.662 0.055 -4.338 700 HG LEU 87 HG LEU 87 2.159 -1.791 -3.409 701 HD11 LEU 87 HD11 LEU 87 3.337 -3.154 -5.054 702 HD12 LEU 87 HD12 LEU 87 1.614 -3.527 -5.023 703 HD13 LEU 87 HD13 LEU 87 2.279 -2.540 -6.326 704 HD21 LEU 87 HD21 LEU 87 3.076 -0.155 -5.763 705 HD22 LEU 87 HD22 LEU 87 3.011 0.369 -4.081 706 HD23 LEU 87 HD23 LEU 87 4.131 -0.904 -4.566 707 H LEU 88 H LEU 88 -2.223 -1.130 -2.399 708 HA LEU 88 HA LEU 88 -4.102 -0.047 -4.355 709 HB2 LEU 88 HB2 LEU 88 -4.343 -1.082 -1.578 710 HB3 LEU 88 HB3 LEU 88 -5.499 0.130 -2.103 711 HG LEU 88 HG LEU 88 -6.454 -2.045 -2.440 712 HD11 LEU 88 HD11 LEU 88 -6.907 -1.962 -4.841 713 HD12 LEU 88 HD12 LEU 88 -6.959 -0.358 -4.109 714 HD13 LEU 88 HD13 LEU 88 -5.555 -0.850 -5.056 715 HD21 LEU 88 HD21 LEU 88 -5.426 -3.690 -3.950 716 HD22 LEU 88 HD22 LEU 88 -3.997 -2.662 -4.077 717 HD23 LEU 88 HD23 LEU 88 -4.433 -3.379 -2.526 718 H PHE 89 H PHE 89 -4.536 2.005 -4.586 719 HA PHE 89 HA PHE 89 -3.444 3.903 -2.614 720 HB2 PHE 89 HB2 PHE 89 -3.758 4.361 -5.587 721 HB3 PHE 89 HB3 PHE 89 -2.998 5.444 -4.429 722 HD1 PHE 89 HD1 PHE 89 -0.950 4.456 -3.147 723 HD2 PHE 89 HD2 PHE 89 -2.450 2.931 -6.822 724 HE1 PHE 89 HE1 PHE 89 1.227 3.405 -3.597 725 HE2 PHE 89 HE2 PHE 89 -0.275 1.880 -7.280 726 HZ PHE 89 HZ PHE 89 1.567 2.115 -5.665 727 H ILE 90 H ILE 90 -5.158 4.562 -1.486 728 HA ILE 90 HA ILE 90 -7.605 5.272 -2.957 729 HB ILE 90 HB ILE 90 -7.247 3.836 -0.359 730 HG12 ILE 90 HG12 ILE 90 -9.314 2.650 -1.236 731 HG13 ILE 90 HG13 ILE 90 -9.126 3.587 -2.711 732 HG21 ILE 90 HG21 ILE 90 -8.500 5.793 0.324 733 HG22 ILE 90 HG22 ILE 90 -9.661 5.525 -0.976 734 HG23 ILE 90 HG23 ILE 90 -9.529 4.360 0.343 735 HD11 ILE 90 HD11 ILE 90 -7.137 1.632 -1.591 736 HD12 ILE 90 HD12 ILE 90 -8.214 1.363 -2.960 737 HD13 ILE 90 HD13 ILE 90 -6.936 2.575 -3.068 738 H ASN 91 H ASN 91 -8.582 7.178 -2.514 739 HA ASN 91 HA ASN 91 -6.914 9.223 -1.320 740 HB2 ASN 91 HB2 ASN 91 -8.071 9.608 -3.446 741 HB3 ASN 91 HB3 ASN 91 -9.623 9.370 -2.675 742 HD21 ASN 91 HD21 ASN 91 -10.413 11.335 -3.183 743 HD22 ASN 91 HD22 ASN 91 -9.826 12.818 -2.506 744 H SER 92 H SER 92 -8.125 10.934 -0.020 745 HA SER 92 HA SER 92 -8.909 9.840 2.452 746 HB2 SER 92 HB2 SER 92 -9.539 12.642 1.525 747 HB3 SER 92 HB3 SER 92 -9.202 12.087 3.165 748 HG SER 92 HG SER 92 -7.435 13.193 2.062 749 H SER 93 H SER 93 -10.688 10.449 -0.409 750 HA SER 93 HA SER 93 -13.244 10.700 0.949 751 HB2 SER 93 HB2 SER 93 -12.665 10.525 -2.015 752 HB3 SER 93 HB3 SER 93 -14.171 11.052 -1.262 753 HG SER 93 HG SER 93 -12.680 12.686 -0.192 754 H GLY 94 H GLY 94 -11.301 8.166 0.388 755 HA2 GLY 94 HA2 GLY 94 -11.778 5.904 0.604 756 HA3 GLY 94 HA3 GLY 94 -13.488 6.282 0.481 757 H GLU 95 H GLU 95 -12.026 7.810 -2.016 758 HA GLU 95 HA GLU 95 -12.903 5.754 -3.882 759 HB2 GLU 95 HB2 GLU 95 -11.860 8.471 -4.638 760 HB3 GLU 95 HB3 GLU 95 -12.980 7.442 -5.521 761 HG2 GLU 95 HG2 GLU 95 -14.563 7.813 -3.536 762 HG3 GLU 95 HG3 GLU 95 -13.483 9.144 -3.114 763 H VAL 96 H VAL 96 -11.536 5.271 -5.784 764 HA VAL 96 HA VAL 96 -8.790 4.895 -4.883 765 HB VAL 96 HB VAL 96 -8.546 3.352 -6.780 766 HG11 VAL 96 HG11 VAL 96 -10.983 2.867 -5.072 767 HG12 VAL 96 HG12 VAL 96 -10.130 1.630 -5.993 768 HG13 VAL 96 HG13 VAL 96 -9.315 2.462 -4.671 769 HG21 VAL 96 HG21 VAL 96 -10.465 2.733 -8.152 770 HG22 VAL 96 HG22 VAL 96 -11.444 3.962 -7.352 771 HG23 VAL 96 HG23 VAL 96 -10.075 4.442 -8.353 772 H VAL 97 H VAL 97 -7.037 5.785 -5.809 773 HA VAL 97 HA VAL 97 -7.532 7.896 -7.774 774 HB VAL 97 HB VAL 97 -5.003 7.332 -6.212 775 HG11 VAL 97 HG11 VAL 97 -4.361 9.598 -6.849 776 HG12 VAL 97 HG12 VAL 97 -4.627 8.591 -8.272 777 HG13 VAL 97 HG13 VAL 97 -5.850 9.766 -7.783 778 HG21 VAL 97 HG21 VAL 97 -7.208 9.308 -5.650 779 HG22 VAL 97 HG22 VAL 97 -6.811 7.881 -4.695 780 HG23 VAL 97 HG23 VAL 97 -5.668 9.221 -4.794 781 H TYR 98 H TYR 98 -5.180 5.287 -7.186 782 HA TYR 98 HA TYR 98 -5.055 4.781 -10.062 783 HB2 TYR 98 HB2 TYR 98 -3.204 6.315 -9.595 784 HB3 TYR 98 HB3 TYR 98 -2.653 5.283 -8.285 785 HD1 TYR 98 HD1 TYR 98 -3.235 5.249 -11.970 786 HD2 TYR 98 HD2 TYR 98 -1.019 3.693 -8.690 787 HE1 TYR 98 HE1 TYR 98 -1.770 4.046 -13.539 788 HE2 TYR 98 HE2 TYR 98 0.453 2.486 -10.246 789 HH TYR 98 HH TYR 98 0.587 3.124 -13.536 790 H ARG 99 H ARG 99 -4.642 2.635 -10.568 791 HA ARG 99 HA ARG 99 -4.530 0.792 -8.275 792 HB2 ARG 99 HB2 ARG 99 -5.533 0.285 -11.086 793 HB3 ARG 99 HB3 ARG 99 -5.528 -0.885 -9.773 794 HG2 ARG 99 HG2 ARG 99 -7.086 0.472 -8.518 795 HG3 ARG 99 HG3 ARG 99 -7.061 1.704 -9.780 796 HD2 ARG 99 HD2 ARG 99 -7.897 -0.045 -11.371 797 HD3 ARG 99 HD3 ARG 99 -8.111 -1.114 -9.982 798 HE ARG 99 HE ARG 99 -9.503 1.477 -10.245 799 HH11 ARG 99 HH11 ARG 99 -9.510 -1.943 -9.522 800 HH12 ARG 99 HH12 ARG 99 -11.153 -1.955 -8.955 801 HH21 ARG 99 HH21 ARG 99 -11.671 1.479 -9.560 802 HH22 ARG 99 HH22 ARG 99 -12.387 0.009 -8.951 803 H LEU 100 H LEU 100 -3.011 -0.860 -8.256 804 HA LEU 100 HA LEU 100 -1.100 -1.055 -10.436 805 HB2 LEU 100 HB2 LEU 100 -0.340 0.911 -9.152 806 HB3 LEU 100 HB3 LEU 100 -0.233 -0.089 -7.709 807 HG LEU 100 HG LEU 100 1.493 -1.474 -8.864 808 HD11 LEU 100 HD11 LEU 100 0.860 -0.958 -11.168 809 HD12 LEU 100 HD12 LEU 100 1.365 0.717 -10.935 810 HD13 LEU 100 HD13 LEU 100 2.558 -0.582 -10.871 811 HD21 LEU 100 HD21 LEU 100 2.102 0.316 -7.302 812 HD22 LEU 100 HD22 LEU 100 3.291 0.145 -8.592 813 HD23 LEU 100 HD23 LEU 100 2.126 1.468 -8.638 814 H VAL 101 H VAL 101 -1.069 -3.195 -10.662 815 HA VAL 101 HA VAL 101 -0.658 -4.850 -8.271 816 HB VAL 101 HB VAL 101 -1.027 -6.802 -9.775 817 HG11 VAL 101 HG11 VAL 101 -3.247 -4.760 -9.785 818 HG12 VAL 101 HG12 VAL 101 -3.439 -6.500 -10.008 819 HG13 VAL 101 HG13 VAL 101 -2.861 -5.865 -8.466 820 HG21 VAL 101 HG21 VAL 101 -1.729 -4.708 -11.833 821 HG22 VAL 101 HG22 VAL 101 -0.345 -5.798 -11.893 822 HG23 VAL 101 HG23 VAL 101 -1.982 -6.445 -12.003 823 H GLY 102 H GLY 102 1.281 -5.707 -7.823 824 HA2 GLY 102 HA2 GLY 102 3.420 -6.590 -8.373 825 HA3 GLY 102 HA3 GLY 102 3.349 -5.743 -9.910 826 H ALA 103 H ALA 103 5.267 -5.783 -7.517 827 HA ALA 103 HA ALA 103 5.282 -2.882 -7.011 828 HB1 ALA 103 HB1 ALA 103 6.221 -5.058 -5.149 829 HB2 ALA 103 HB2 ALA 103 6.234 -3.324 -4.823 830 HB3 ALA 103 HB3 ALA 103 4.701 -4.176 -5.011 831 H GLU 104 H GLU 104 7.168 -1.793 -7.155 832 HA GLU 104 HA GLU 104 9.477 -3.250 -8.248 833 HB2 GLU 104 HB2 GLU 104 8.711 -0.328 -8.353 834 HB3 GLU 104 HB3 GLU 104 10.233 -0.963 -8.956 835 HG2 GLU 104 HG2 GLU 104 7.526 -1.803 -9.958 836 HG3 GLU 104 HG3 GLU 104 8.528 -0.559 -10.704 837 H ASP 105 H ASP 105 11.558 -1.763 -7.723 838 HA ASP 105 HA ASP 105 11.963 -1.909 -4.895 839 HB2 ASP 105 HB2 ASP 105 14.215 -0.845 -5.557 840 HB3 ASP 105 HB3 ASP 105 13.867 -2.466 -6.139 841 H ALA 106 H ALA 106 13.242 0.085 -3.919 842 HA ALA 106 HA ALA 106 11.245 1.859 -3.228 843 HB1 ALA 106 HB1 ALA 106 12.904 3.122 -2.033 844 HB2 ALA 106 HB2 ALA 106 13.242 1.397 -1.878 845 HB3 ALA 106 HB3 ALA 106 14.197 2.388 -2.982 846 HA PRO 107 HA PRO 107 13.287 5.326 -6.042 847 HB2 PRO 107 HB2 PRO 107 14.319 3.594 -8.222 848 HB3 PRO 107 HB3 PRO 107 15.003 5.073 -7.540 849 HG2 PRO 107 HG2 PRO 107 16.076 2.709 -6.975 850 HG3 PRO 107 HG3 PRO 107 15.933 3.960 -5.724 851 HD2 PRO 107 HD2 PRO 107 14.250 1.523 -6.173 852 HD3 PRO 107 HD3 PRO 107 14.833 2.224 -4.649 853 H GLU 108 H GLU 108 12.292 2.361 -7.748 854 HA GLU 108 HA GLU 108 10.705 3.733 -9.668 855 HB2 GLU 108 HB2 GLU 108 10.782 0.827 -8.852 856 HB3 GLU 108 HB3 GLU 108 9.901 1.453 -10.235 857 HG2 GLU 108 HG2 GLU 108 12.873 1.667 -9.857 858 HG3 GLU 108 HG3 GLU 108 12.062 0.444 -10.833 859 H LEU 109 H LEU 109 10.117 2.369 -6.520 860 HA LEU 109 HA LEU 109 7.321 2.259 -6.508 861 HB2 LEU 109 HB2 LEU 109 8.831 1.384 -4.732 862 HB3 LEU 109 HB3 LEU 109 9.158 3.029 -4.236 863 HG LEU 109 HG LEU 109 6.762 3.309 -3.672 864 HD11 LEU 109 HD11 LEU 109 6.615 0.360 -4.269 865 HD12 LEU 109 HD12 LEU 109 5.344 1.327 -3.520 866 HD13 LEU 109 HD13 LEU 109 5.832 1.647 -5.184 867 HD21 LEU 109 HD21 LEU 109 8.362 2.709 -1.942 868 HD22 LEU 109 HD22 LEU 109 6.811 1.922 -1.652 869 HD23 LEU 109 HD23 LEU 109 8.155 1.000 -2.323 870 H LEU 110 H LEU 110 9.443 4.839 -5.307 871 HA LEU 110 HA LEU 110 7.443 6.766 -4.898 872 HB2 LEU 110 HB2 LEU 110 10.359 7.189 -5.561 873 HB3 LEU 110 HB3 LEU 110 9.279 8.409 -4.917 874 HG LEU 110 HG LEU 110 10.104 5.879 -3.490 875 HD11 LEU 110 HD11 LEU 110 10.913 8.748 -3.037 876 HD12 LEU 110 HD12 LEU 110 11.360 7.373 -2.026 877 HD13 LEU 110 HD13 LEU 110 11.938 7.468 -3.690 878 HD21 LEU 110 HD21 LEU 110 9.001 6.884 -1.549 879 HD22 LEU 110 HD22 LEU 110 8.452 8.223 -2.558 880 HD23 LEU 110 HD23 LEU 110 7.865 6.588 -2.866 881 H LYS 111 H LYS 111 9.255 5.846 -7.725 882 HA LYS 111 HA LYS 111 8.634 8.011 -9.399 883 HB2 LYS 111 HB2 LYS 111 10.334 6.228 -9.843 884 HB3 LYS 111 HB3 LYS 111 9.019 5.115 -10.181 885 HG2 LYS 111 HG2 LYS 111 9.930 5.923 -12.245 886 HG3 LYS 111 HG3 LYS 111 8.304 6.582 -12.035 887 HD2 LYS 111 HD2 LYS 111 9.171 8.708 -11.379 888 HD3 LYS 111 HD3 LYS 111 10.812 8.070 -11.280 889 HE2 LYS 111 HE2 LYS 111 9.159 8.316 -13.791 890 HE3 LYS 111 HE3 LYS 111 10.481 9.384 -13.315 891 HZ1 LYS 111 HZ1 LYS 111 10.700 6.483 -13.927 892 HZ2 LYS 111 HZ2 LYS 111 11.265 7.764 -14.887 893 HZ3 LYS 111 HZ3 LYS 111 11.972 7.458 -13.377 894 H LYS 112 H LYS 112 7.011 4.864 -8.974 895 HA LYS 112 HA LYS 112 5.011 5.436 -10.902 896 HB2 LYS 112 HB2 LYS 112 5.386 3.273 -8.879 897 HB3 LYS 112 HB3 LYS 112 3.838 3.434 -9.697 898 HG2 LYS 112 HG2 LYS 112 5.204 3.401 -11.867 899 HG3 LYS 112 HG3 LYS 112 6.517 2.780 -10.860 900 HD2 LYS 112 HD2 LYS 112 5.168 0.909 -10.173 901 HD3 LYS 112 HD3 LYS 112 3.764 1.564 -11.020 902 HE2 LYS 112 HE2 LYS 112 4.712 -0.182 -12.364 903 HE3 LYS 112 HE3 LYS 112 5.024 1.364 -13.149 904 HZ1 LYS 112 HZ1 LYS 112 6.972 -0.122 -11.479 905 HZ2 LYS 112 HZ2 LYS 112 6.963 -0.097 -13.171 906 HZ3 LYS 112 HZ3 LYS 112 7.270 1.327 -12.301 907 H VAL 113 H VAL 113 5.041 5.775 -7.344 908 HA VAL 113 HA VAL 113 2.302 6.217 -7.106 909 HB VAL 113 HB VAL 113 2.846 7.175 -4.950 910 HG11 VAL 113 HG11 VAL 113 2.693 4.778 -5.154 911 HG12 VAL 113 HG12 VAL 113 4.407 4.700 -5.562 912 HG13 VAL 113 HG13 VAL 113 3.906 5.221 -3.954 913 HG21 VAL 113 HG21 VAL 113 5.713 6.927 -5.771 914 HG22 VAL 113 HG22 VAL 113 4.841 8.429 -5.463 915 HG23 VAL 113 HG23 VAL 113 5.152 7.303 -4.141 916 H LYS 114 H LYS 114 5.015 8.445 -7.694 917 HA LYS 114 HA LYS 114 3.422 10.789 -7.603 918 HB2 LYS 114 HB2 LYS 114 6.106 10.231 -8.841 919 HB3 LYS 114 HB3 LYS 114 5.330 11.805 -8.951 920 HG2 LYS 114 HG2 LYS 114 5.167 11.682 -6.396 921 HG3 LYS 114 HG3 LYS 114 6.359 10.388 -6.525 922 HD2 LYS 114 HD2 LYS 114 7.912 11.876 -7.625 923 HD3 LYS 114 HD3 LYS 114 6.703 13.163 -7.660 924 HE2 LYS 114 HE2 LYS 114 6.654 13.026 -5.144 925 HE3 LYS 114 HE3 LYS 114 8.057 11.964 -5.253 926 HZ1 LYS 114 HZ1 LYS 114 9.293 13.727 -6.321 927 HZ2 LYS 114 HZ2 LYS 114 7.935 14.742 -6.302 928 HZ3 LYS 114 HZ3 LYS 114 8.671 14.283 -4.844 929 H LEU 115 H LEU 115 4.196 8.513 -10.167 930 HA LEU 115 HA LEU 115 3.073 10.104 -12.265 931 HB2 LEU 115 HB2 LEU 115 3.634 7.142 -12.115 932 HB3 LEU 115 HB3 LEU 115 3.151 7.990 -13.570 933 HG LEU 115 HG LEU 115 5.697 8.494 -12.028 934 HD11 LEU 115 HD11 LEU 115 6.807 7.457 -13.943 935 HD12 LEU 115 HD12 LEU 115 5.717 6.329 -13.133 936 HD13 LEU 115 HD13 LEU 115 5.234 7.086 -14.651 937 HD21 LEU 115 HD21 LEU 115 4.904 10.497 -13.151 938 HD22 LEU 115 HD22 LEU 115 6.323 9.854 -13.973 939 HD23 LEU 115 HD23 LEU 115 4.718 9.601 -14.657 940 H GLY 116 H GLY 116 1.863 7.703 -10.041 941 HA2 GLY 116 HA2 GLY 116 -0.592 7.181 -11.367 942 HA3 GLY 116 HA3 GLY 116 -0.230 6.830 -9.685 943 H VAL 117 H VAL 117 0.280 9.434 -8.764 944 HA VAL 117 HA VAL 117 -2.454 10.441 -8.695 945 HB VAL 117 HB VAL 117 -1.724 11.867 -6.857 946 HG11 VAL 117 HG11 VAL 117 -2.416 9.614 -6.307 947 HG12 VAL 117 HG12 VAL 117 -0.779 9.019 -6.579 948 HG13 VAL 117 HG13 VAL 117 -1.105 10.118 -5.240 949 HG21 VAL 117 HG21 VAL 117 1.022 10.708 -7.333 950 HG22 VAL 117 HG22 VAL 117 0.535 12.381 -7.610 951 HG23 VAL 117 HG23 VAL 117 0.561 11.730 -5.971 952 H GLU 118 H GLU 118 0.486 11.118 -10.231 953 HA GLU 118 HA GLU 118 1.350 12.819 -11.426 954 HB2 GLU 118 HB2 GLU 118 -0.714 12.407 -12.750 955 HB3 GLU 118 HB3 GLU 118 -1.531 13.646 -11.806 956 HG2 GLU 118 HG2 GLU 118 0.069 15.308 -12.610 957 HG3 GLU 118 HG3 GLU 118 0.871 14.065 -13.568 958 H SER 119 H SER 119 2.361 13.739 -9.635 959 HA SER 119 HA SER 119 1.074 15.556 -7.880 960 HB2 SER 119 HB2 SER 119 3.087 14.218 -7.280 961 HB3 SER 119 HB3 SER 119 4.040 15.207 -8.384 962 HG SER 119 HG SER 119 2.524 16.523 -6.432 963 H GLU 120 H GLU 120 0.180 17.294 -8.776 964 HA GLU 120 HA GLU 120 1.950 19.318 -9.875 965 HB2 GLU 120 HB2 GLU 120 1.182 18.119 -11.877 966 HB3 GLU 120 HB3 GLU 120 -0.489 18.338 -11.378 967 HG2 GLU 120 HG2 GLU 120 0.079 19.911 -13.112 968 HG3 GLU 120 HG3 GLU 120 -0.230 20.764 -11.600 969 H GLY 121 H GLY 121 1.536 20.473 -8.004 970 HA2 GLY 121 HA2 GLY 121 -0.914 21.979 -8.014 971 HA3 GLY 121 HA3 GLY 121 -0.766 20.892 -6.637 Start of MODEL 12 1 H ALA 1 H ALA 1 10.964 -5.262 14.602 2 HA ALA 1 HA ALA 1 9.476 -5.607 17.141 3 HB1 ALA 1 HB1 ALA 1 12.431 -5.246 16.640 4 HB2 ALA 1 HB2 ALA 1 11.651 -5.377 18.216 5 HB3 ALA 1 HB3 ALA 1 11.643 -6.751 17.112 6 H GLN 2 H GLN 2 11.784 -3.490 15.433 7 HA GLN 2 HA GLN 2 10.251 -1.183 16.446 8 HB2 GLN 2 HB2 GLN 2 12.310 0.145 16.182 9 HB3 GLN 2 HB3 GLN 2 12.543 -1.186 17.309 10 HG2 GLN 2 HG2 GLN 2 13.767 -2.435 15.708 11 HG3 GLN 2 HG3 GLN 2 13.333 -1.322 14.414 12 HE21 GLN 2 HE21 GLN 2 14.372 0.652 14.268 13 HE22 GLN 2 HE22 GLN 2 15.848 0.987 15.112 14 H ALA 3 H ALA 3 10.851 0.789 14.833 15 HA ALA 3 HA ALA 3 9.926 -0.110 12.228 16 HB1 ALA 3 HB1 ALA 3 9.582 2.252 11.740 17 HB2 ALA 3 HB2 ALA 3 8.827 1.811 13.272 18 HB3 ALA 3 HB3 ALA 3 10.356 2.691 13.263 19 H ASP 4 H ASP 4 11.711 -1.101 11.345 20 HA ASP 4 HA ASP 4 14.137 0.482 10.962 21 HB2 ASP 4 HB2 ASP 4 13.470 -2.361 10.155 22 HB3 ASP 4 HB3 ASP 4 15.015 -1.576 9.852 23 H GLY 5 H GLY 5 11.344 -0.695 9.296 24 HA2 GLY 5 HA2 GLY 5 12.140 0.908 6.952 25 HA3 GLY 5 HA3 GLY 5 11.389 -0.673 6.770 26 H ILE 6 H ILE 6 9.500 -0.167 5.857 27 HA ILE 6 HA ILE 6 7.885 2.031 6.791 28 HB ILE 6 HB ILE 6 7.166 -0.158 4.828 29 HG12 ILE 6 HG12 ILE 6 8.186 2.646 4.305 30 HG13 ILE 6 HG13 ILE 6 9.138 1.176 4.130 31 HG21 ILE 6 HG21 ILE 6 5.218 0.954 5.774 32 HG22 ILE 6 HG22 ILE 6 5.896 2.526 5.354 33 HG23 ILE 6 HG23 ILE 6 5.427 1.399 4.081 34 HD11 ILE 6 HD11 ILE 6 8.347 1.971 1.981 35 HD12 ILE 6 HD12 ILE 6 7.632 0.407 2.374 36 HD13 ILE 6 HD13 ILE 6 6.678 1.881 2.545 37 H ALA 7 H ALA 7 6.730 1.880 8.587 38 HA ALA 7 HA ALA 7 5.873 -0.729 9.569 39 HB1 ALA 7 HB1 ALA 7 5.237 0.494 11.600 40 HB2 ALA 7 HB2 ALA 7 6.915 0.795 11.151 41 HB3 ALA 7 HB3 ALA 7 5.682 2.011 10.817 42 H PHE 8 H PHE 8 3.954 -1.506 9.054 43 HA PHE 8 HA PHE 8 1.902 0.269 8.007 44 HB2 PHE 8 HB2 PHE 8 2.120 -2.742 8.140 45 HB3 PHE 8 HB3 PHE 8 0.723 -1.891 7.502 46 HD1 PHE 8 HD1 PHE 8 0.942 -0.516 5.457 47 HD2 PHE 8 HD2 PHE 8 4.089 -3.004 6.868 48 HE1 PHE 8 HE1 PHE 8 2.018 -0.397 3.250 49 HE2 PHE 8 HE2 PHE 8 5.175 -2.887 4.666 50 HZ PHE 8 HZ PHE 8 4.139 -1.584 2.851 51 H ARG 9 H ARG 9 -0.071 0.596 8.944 52 HA ARG 9 HA ARG 9 -0.344 -0.389 11.695 53 HB2 ARG 9 HB2 ARG 9 -1.911 1.481 12.036 54 HB3 ARG 9 HB3 ARG 9 -0.324 2.036 11.525 55 HG2 ARG 9 HG2 ARG 9 -1.272 2.150 9.181 56 HG3 ARG 9 HG3 ARG 9 -2.856 1.921 9.918 57 HD2 ARG 9 HD2 ARG 9 -2.531 4.261 9.637 58 HD3 ARG 9 HD3 ARG 9 -2.382 3.911 11.357 59 HE ARG 9 HE ARG 9 0.159 3.873 10.055 60 HH11 ARG 9 HH11 ARG 9 -2.298 6.044 11.316 61 HH12 ARG 9 HH12 ARG 9 -1.175 7.335 11.632 62 HH21 ARG 9 HH21 ARG 9 1.627 5.569 10.453 63 HH22 ARG 9 HH22 ARG 9 1.066 7.064 11.141 64 H GLU 10 H GLU 10 -1.746 -1.949 12.062 65 HA GLU 10 HA GLU 10 -3.573 -2.721 9.941 66 HB2 GLU 10 HB2 GLU 10 -2.238 -4.444 11.076 67 HB3 GLU 10 HB3 GLU 10 -3.024 -4.045 12.599 68 HG2 GLU 10 HG2 GLU 10 -5.210 -4.625 11.493 69 HG3 GLU 10 HG3 GLU 10 -4.262 -5.260 10.150 70 H LEU 11 H LEU 11 -5.287 -1.408 9.887 71 HA LEU 11 HA LEU 11 -7.024 -1.417 12.249 72 HB2 LEU 11 HB2 LEU 11 -6.603 0.737 10.177 73 HB3 LEU 11 HB3 LEU 11 -7.937 0.729 11.303 74 HG LEU 11 HG LEU 11 -5.022 0.874 12.067 75 HD11 LEU 11 HD11 LEU 11 -5.522 3.182 12.690 76 HD12 LEU 11 HD12 LEU 11 -5.792 2.908 10.969 77 HD13 LEU 11 HD13 LEU 11 -7.162 2.996 12.074 78 HD21 LEU 11 HD21 LEU 11 -6.373 -0.242 13.764 79 HD22 LEU 11 HD22 LEU 11 -5.864 1.356 14.316 80 HD23 LEU 11 HD23 LEU 11 -7.517 1.101 13.750 81 H SER 12 H SER 12 -9.353 -1.300 11.651 82 HA SER 12 HA SER 12 -10.064 -3.045 9.545 83 HB2 SER 12 HB2 SER 12 -11.922 -1.041 10.824 84 HB3 SER 12 HB3 SER 12 -12.301 -2.651 10.208 85 HG SER 12 HG SER 12 -11.838 -3.424 12.094 86 H PHE 13 H PHE 13 -11.287 -2.506 7.602 87 HA PHE 13 HA PHE 13 -10.097 -0.526 6.061 88 HB2 PHE 13 HB2 PHE 13 -11.264 -2.431 5.068 89 HB3 PHE 13 HB3 PHE 13 -12.806 -1.809 5.648 90 HD1 PHE 13 HD1 PHE 13 -9.961 -1.023 3.406 91 HD2 PHE 13 HD2 PHE 13 -14.045 -0.315 4.356 92 HE1 PHE 13 HE1 PHE 13 -10.220 0.256 1.322 93 HE2 PHE 13 HE2 PHE 13 -14.316 0.960 2.271 94 HZ PHE 13 HZ PHE 13 -12.399 1.247 0.751 95 HA PRO 14 HA PRO 14 -13.981 2.352 6.830 96 HB2 PRO 14 HB2 PRO 14 -15.243 1.835 9.235 97 HB3 PRO 14 HB3 PRO 14 -15.853 1.356 7.650 98 HG2 PRO 14 HG2 PRO 14 -14.353 -0.249 9.669 99 HG3 PRO 14 HG3 PRO 14 -15.702 -0.734 8.626 100 HD2 PRO 14 HD2 PRO 14 -13.176 -1.441 8.074 101 HD3 PRO 14 HD3 PRO 14 -14.331 -1.045 6.785 102 H GLU 15 H GLU 15 -12.291 0.997 9.646 103 HA GLU 15 HA GLU 15 -12.070 3.338 11.154 104 HB2 GLU 15 HB2 GLU 15 -10.281 0.917 10.981 105 HB3 GLU 15 HB3 GLU 15 -10.032 2.210 12.138 106 HG2 GLU 15 HG2 GLU 15 -12.443 0.424 11.935 107 HG3 GLU 15 HG3 GLU 15 -11.187 0.354 13.169 108 H ALA 16 H ALA 16 -9.795 1.898 8.840 109 HA ALA 16 HA ALA 16 -7.880 3.964 9.119 110 HB1 ALA 16 HB1 ALA 16 -6.792 2.964 7.180 111 HB2 ALA 16 HB2 ALA 16 -7.280 1.732 8.344 112 HB3 ALA 16 HB3 ALA 16 -8.227 1.983 6.877 113 H LEU 17 H LEU 17 -10.560 3.402 6.911 114 HA LEU 17 HA LEU 17 -10.068 5.518 5.112 115 HB2 LEU 17 HB2 LEU 17 -11.769 3.610 4.943 116 HB3 LEU 17 HB3 LEU 17 -12.795 4.578 5.976 117 HG LEU 17 HG LEU 17 -12.790 6.376 4.286 118 HD11 LEU 17 HD11 LEU 17 -10.631 5.908 3.262 119 HD12 LEU 17 HD12 LEU 17 -11.256 4.390 2.617 120 HD13 LEU 17 HD13 LEU 17 -11.914 5.925 2.049 121 HD21 LEU 17 HD21 LEU 17 -14.213 5.238 2.663 122 HD22 LEU 17 HD22 LEU 17 -13.619 3.677 3.229 123 HD23 LEU 17 HD23 LEU 17 -14.570 4.700 4.304 124 H LYS 18 H LYS 18 -11.855 5.303 8.129 125 HA LYS 18 HA LYS 18 -12.777 7.940 8.298 126 HB2 LYS 18 HB2 LYS 18 -13.465 6.036 9.770 127 HB3 LYS 18 HB3 LYS 18 -11.915 6.167 10.591 128 HG2 LYS 18 HG2 LYS 18 -13.636 7.275 11.867 129 HG3 LYS 18 HG3 LYS 18 -12.475 8.457 11.250 130 HD2 LYS 18 HD2 LYS 18 -13.990 9.015 9.429 131 HD3 LYS 18 HD3 LYS 18 -15.141 7.806 9.998 132 HE2 LYS 18 HE2 LYS 18 -15.381 9.049 12.099 133 HE3 LYS 18 HE3 LYS 18 -14.256 10.267 11.496 134 HZ1 LYS 18 HZ1 LYS 18 -16.555 10.950 11.184 135 HZ2 LYS 18 HZ2 LYS 18 -15.782 10.742 9.687 136 HZ3 LYS 18 HZ3 LYS 18 -16.863 9.566 10.258 137 H ARG 19 H ARG 19 -9.785 6.473 9.518 138 HA ARG 19 HA ARG 19 -8.594 8.772 10.551 139 HB2 ARG 19 HB2 ARG 19 -7.435 6.262 9.358 140 HB3 ARG 19 HB3 ARG 19 -6.418 7.537 10.009 141 HG2 ARG 19 HG2 ARG 19 -8.566 6.121 11.567 142 HG3 ARG 19 HG3 ARG 19 -6.853 5.692 11.602 143 HD2 ARG 19 HD2 ARG 19 -6.255 7.745 12.596 144 HD3 ARG 19 HD3 ARG 19 -7.827 8.463 12.242 145 HE ARG 19 HE ARG 19 -8.490 6.416 13.852 146 HH11 ARG 19 HH11 ARG 19 -5.980 8.848 14.181 147 HH12 ARG 19 HH12 ARG 19 -6.156 8.975 15.911 148 HH21 ARG 19 HH21 ARG 19 -8.726 6.589 16.097 149 HH22 ARG 19 HH22 ARG 19 -7.709 7.670 17.002 150 H ALA 20 H ALA 20 -8.551 7.471 7.254 151 HA ALA 20 HA ALA 20 -6.810 9.369 6.136 152 HB1 ALA 20 HB1 ALA 20 -9.087 7.917 4.788 153 HB2 ALA 20 HB2 ALA 20 -7.739 8.716 3.976 154 HB3 ALA 20 HB3 ALA 20 -7.448 7.301 4.988 155 H GLU 21 H GLU 21 -10.246 9.467 6.815 156 HA GLU 21 HA GLU 21 -10.840 11.854 5.420 157 HB2 GLU 21 HB2 GLU 21 -12.598 10.336 6.118 158 HB3 GLU 21 HB3 GLU 21 -12.163 10.556 7.808 159 HG2 GLU 21 HG2 GLU 21 -12.792 12.937 7.611 160 HG3 GLU 21 HG3 GLU 21 -13.342 12.621 5.967 161 H VAL 22 H VAL 22 -10.018 11.221 8.820 162 HA VAL 22 HA VAL 22 -10.265 13.964 9.593 163 HB VAL 22 HB VAL 22 -8.924 11.708 11.092 164 HG11 VAL 22 HG11 VAL 22 -9.383 13.065 13.082 165 HG12 VAL 22 HG12 VAL 22 -8.324 13.907 11.952 166 HG13 VAL 22 HG13 VAL 22 -10.028 14.347 12.054 167 HG21 VAL 22 HG21 VAL 22 -11.771 12.688 11.261 168 HG22 VAL 22 HG22 VAL 22 -11.250 11.185 10.500 169 HG23 VAL 22 HG23 VAL 22 -11.043 11.410 12.237 170 H GLU 23 H GLU 23 -7.515 11.819 8.925 171 HA GLU 23 HA GLU 23 -5.585 13.842 9.593 172 HB2 GLU 23 HB2 GLU 23 -5.244 11.160 8.243 173 HB3 GLU 23 HB3 GLU 23 -3.922 12.209 8.736 174 HG2 GLU 23 HG2 GLU 23 -4.686 12.032 11.068 175 HG3 GLU 23 HG3 GLU 23 -5.946 10.915 10.545 176 H ASP 24 H ASP 24 -7.364 12.967 6.812 177 HA ASP 24 HA ASP 24 -7.615 14.008 4.814 178 HB2 ASP 24 HB2 ASP 24 -7.320 16.069 6.241 179 HB3 ASP 24 HB3 ASP 24 -5.619 16.059 5.792 180 H LYS 25 H LYS 25 -5.368 12.099 5.442 181 HA LYS 25 HA LYS 25 -3.598 12.782 3.191 182 HB2 LYS 25 HB2 LYS 25 -3.120 10.884 5.501 183 HB3 LYS 25 HB3 LYS 25 -1.996 11.174 4.172 184 HG2 LYS 25 HG2 LYS 25 -1.740 13.480 4.846 185 HG3 LYS 25 HG3 LYS 25 -2.939 13.264 6.122 186 HD2 LYS 25 HD2 LYS 25 -1.495 11.624 7.206 187 HD3 LYS 25 HD3 LYS 25 -0.302 11.816 5.921 188 HE2 LYS 25 HE2 LYS 25 0.330 13.102 7.886 189 HE3 LYS 25 HE3 LYS 25 -0.027 14.169 6.529 190 HZ1 LYS 25 HZ1 LYS 25 -2.204 14.592 7.477 191 HZ2 LYS 25 HZ2 LYS 25 -1.873 13.548 8.771 192 HZ3 LYS 25 HZ3 LYS 25 -0.993 14.983 8.594 193 H LEU 26 H LEU 26 -2.809 10.823 1.975 194 HA LEU 26 HA LEU 26 -5.117 9.435 1.004 195 HB2 LEU 26 HB2 LEU 26 -2.203 9.124 0.273 196 HB3 LEU 26 HB3 LEU 26 -3.550 8.413 -0.598 197 HG LEU 26 HG LEU 26 -3.022 11.369 -0.299 198 HD11 LEU 26 HD11 LEU 26 -2.703 9.511 -2.648 199 HD12 LEU 26 HD12 LEU 26 -2.569 11.267 -2.718 200 HD13 LEU 26 HD13 LEU 26 -1.414 10.333 -1.769 201 HD21 LEU 26 HD21 LEU 26 -5.410 10.864 -0.426 202 HD22 LEU 26 HD22 LEU 26 -4.842 11.649 -1.899 203 HD23 LEU 26 HD23 LEU 26 -5.130 9.910 -1.883 204 H LEU 27 H LEU 27 -5.588 7.268 1.107 205 HA LEU 27 HA LEU 27 -4.354 5.887 3.353 206 HB2 LEU 27 HB2 LEU 27 -6.798 5.996 3.253 207 HB3 LEU 27 HB3 LEU 27 -6.784 5.202 1.690 208 HG LEU 27 HG LEU 27 -5.876 3.161 2.747 209 HD11 LEU 27 HD11 LEU 27 -6.271 4.667 5.329 210 HD12 LEU 27 HD12 LEU 27 -5.835 2.966 5.174 211 HD13 LEU 27 HD13 LEU 27 -4.719 4.215 4.624 212 HD21 LEU 27 HD21 LEU 27 -8.294 3.470 2.449 213 HD22 LEU 27 HD22 LEU 27 -7.921 2.500 3.874 214 HD23 LEU 27 HD23 LEU 27 -8.393 4.190 4.056 215 H PHE 28 H PHE 28 -2.679 4.648 2.984 216 HA PHE 28 HA PHE 28 -2.222 3.519 0.336 217 HB2 PHE 28 HB2 PHE 28 -0.356 4.656 1.474 218 HB3 PHE 28 HB3 PHE 28 -0.488 3.536 2.823 219 HD1 PHE 28 HD1 PHE 28 0.458 3.868 -0.714 220 HD2 PHE 28 HD2 PHE 28 0.457 1.360 2.721 221 HE1 PHE 28 HE1 PHE 28 2.049 2.355 -1.823 222 HE2 PHE 28 HE2 PHE 28 2.052 -0.154 1.621 223 HZ PHE 28 HZ PHE 28 2.851 0.341 -0.654 224 H VAL 29 H VAL 29 -3.282 1.677 -0.016 225 HA VAL 29 HA VAL 29 -3.793 -0.114 2.234 226 HB VAL 29 HB VAL 29 -4.822 -0.322 -0.599 227 HG11 VAL 29 HG11 VAL 29 -5.702 -1.669 1.950 228 HG12 VAL 29 HG12 VAL 29 -6.503 -1.815 0.385 229 HG13 VAL 29 HG13 VAL 29 -4.865 -2.435 0.600 230 HG21 VAL 29 HG21 VAL 29 -5.585 1.750 0.434 231 HG22 VAL 29 HG22 VAL 29 -6.917 0.607 0.272 232 HG23 VAL 29 HG23 VAL 29 -6.154 0.854 1.841 233 H ASP 30 H ASP 30 -2.232 -1.504 2.661 234 HA ASP 30 HA ASP 30 -0.651 -2.693 0.522 235 HB2 ASP 30 HB2 ASP 30 0.617 -2.025 2.452 236 HB3 ASP 30 HB3 ASP 30 -0.478 -2.875 3.536 237 H CYS 31 H CYS 31 -1.639 -4.277 -0.520 238 HA CYS 31 HA CYS 31 -2.955 -6.368 1.079 239 HB2 CYS 31 HB2 CYS 31 -3.496 -5.528 -1.776 240 HB3 CYS 31 HB3 CYS 31 -4.228 -6.922 -0.989 241 HG CYS 31 HG CYS 31 -4.734 -4.332 0.919 242 H PHE 32 H PHE 32 -1.681 -8.052 1.274 243 HA PHE 32 HA PHE 32 -0.193 -8.966 -1.083 244 HB2 PHE 32 HB2 PHE 32 1.696 -9.599 0.309 245 HB3 PHE 32 HB3 PHE 32 1.355 -7.888 0.533 246 HD1 PHE 32 HD1 PHE 32 0.118 -7.165 2.611 247 HD2 PHE 32 HD2 PHE 32 1.697 -11.087 2.117 248 HE1 PHE 32 HE1 PHE 32 0.002 -7.516 5.043 249 HE2 PHE 32 HE2 PHE 32 1.583 -11.444 4.549 250 HZ PHE 32 HZ PHE 32 0.733 -9.657 6.014 251 H THR 33 H THR 33 0.169 -11.236 -1.172 252 HA THR 33 HA THR 33 -1.830 -12.760 0.343 253 HB THR 33 HB THR 33 -0.279 -14.015 -1.875 254 HG1 THR 33 HG1 THR 33 -1.922 -11.766 -2.128 255 HG21 THR 33 HG21 THR 33 -3.193 -14.040 -1.070 256 HG22 THR 33 HG22 THR 33 -2.473 -15.023 -2.344 257 HG23 THR 33 HG23 THR 33 -1.997 -15.272 -0.663 258 H THR 34 H THR 34 -1.181 -14.890 1.184 259 HA THR 34 HA THR 34 1.016 -14.695 2.875 260 HB THR 34 HB THR 34 0.665 -17.288 3.042 261 HG1 THR 34 HG1 THR 34 -1.834 -16.567 1.882 262 HG21 THR 34 HG21 THR 34 -1.258 -16.911 4.514 263 HG22 THR 34 HG22 THR 34 -0.037 -15.656 4.731 264 HG23 THR 34 HG23 THR 34 -1.496 -15.316 3.801 265 H TRP 35 H TRP 35 0.857 -16.032 -0.368 266 HA TRP 35 HA TRP 35 3.364 -17.359 -0.296 267 HB2 TRP 35 HB2 TRP 35 1.814 -16.206 -2.625 268 HB3 TRP 35 HB3 TRP 35 3.265 -17.186 -2.792 269 HD1 TRP 35 HD1 TRP 35 3.032 -19.783 -1.809 270 HE1 TRP 35 HE1 TRP 35 0.998 -21.361 -1.930 271 HE3 TRP 35 HE3 TRP 35 -0.625 -16.314 -2.636 272 HZ2 TRP 35 HZ2 TRP 35 -1.787 -21.145 -2.333 273 HZ3 TRP 35 HZ3 TRP 35 -2.949 -17.085 -2.880 274 HH2 TRP 35 HH2 TRP 35 -3.516 -19.451 -2.730 275 H CYS 36 H CYS 36 5.097 -16.252 0.357 276 HA CYS 36 HA CYS 36 5.394 -13.455 -0.380 277 HB2 CYS 36 HB2 CYS 36 7.117 -15.179 1.411 278 HB3 CYS 36 HB3 CYS 36 7.211 -13.428 1.248 279 HG CYS 36 HG CYS 36 4.350 -14.943 2.336 280 H GLY 37 H GLY 37 6.257 -13.061 -2.287 281 HA2 GLY 37 HA2 GLY 37 8.728 -14.511 -3.005 282 HA3 GLY 37 HA3 GLY 37 7.483 -14.176 -4.202 283 HA PRO 38 HA PRO 38 9.572 -10.405 -5.254 284 HB2 PRO 38 HB2 PRO 38 7.321 -8.887 -5.841 285 HB3 PRO 38 HB3 PRO 38 8.147 -9.966 -6.967 286 HG2 PRO 38 HG2 PRO 38 5.689 -10.434 -5.343 287 HG3 PRO 38 HG3 PRO 38 6.067 -10.968 -6.990 288 HD2 PRO 38 HD2 PRO 38 6.194 -12.640 -4.895 289 HD3 PRO 38 HD3 PRO 38 7.333 -12.759 -6.251 290 H CYS 39 H CYS 39 6.909 -10.409 -2.950 291 HA CYS 39 HA CYS 39 7.273 -7.802 -1.939 292 HB2 CYS 39 HB2 CYS 39 5.249 -9.185 -1.539 293 HB3 CYS 39 HB3 CYS 39 6.197 -10.230 -0.487 294 HG CYS 39 HG CYS 39 4.597 -7.465 0.259 295 H LYS 40 H LYS 40 8.954 -10.806 -1.371 296 HA LYS 40 HA LYS 40 10.273 -10.012 1.030 297 HB2 LYS 40 HB2 LYS 40 11.109 -12.057 -1.036 298 HB3 LYS 40 HB3 LYS 40 11.825 -11.869 0.558 299 HG2 LYS 40 HG2 LYS 40 9.678 -12.441 1.585 300 HG3 LYS 40 HG3 LYS 40 8.979 -12.656 -0.023 301 HD2 LYS 40 HD2 LYS 40 9.577 -14.814 0.821 302 HD3 LYS 40 HD3 LYS 40 10.712 -14.396 -0.464 303 HE2 LYS 40 HE2 LYS 40 11.943 -15.361 1.353 304 HE3 LYS 40 HE3 LYS 40 12.316 -13.638 1.284 305 HZ1 LYS 40 HZ1 LYS 40 11.927 -14.417 3.555 306 HZ2 LYS 40 HZ2 LYS 40 10.784 -13.252 3.096 307 HZ3 LYS 40 HZ3 LYS 40 10.354 -14.889 3.131 308 H ARG 41 H ARG 41 11.102 -9.907 -2.407 309 HA ARG 41 HA ARG 41 13.671 -8.818 -2.178 310 HB2 ARG 41 HB2 ARG 41 11.611 -8.340 -4.346 311 HB3 ARG 41 HB3 ARG 41 13.332 -8.030 -4.482 312 HG2 ARG 41 HG2 ARG 41 12.071 -10.736 -4.092 313 HG3 ARG 41 HG3 ARG 41 12.663 -10.089 -5.621 314 HD2 ARG 41 HD2 ARG 41 14.521 -11.242 -5.047 315 HD3 ARG 41 HD3 ARG 41 14.867 -9.780 -4.128 316 HE ARG 41 HE ARG 41 13.470 -12.025 -2.837 317 HH11 ARG 41 HH11 ARG 41 16.255 -9.910 -3.079 318 HH12 ARG 41 HH12 ARG 41 16.980 -10.486 -1.608 319 HH21 ARG 41 HH21 ARG 41 14.405 -12.792 -0.926 320 HH22 ARG 41 HH22 ARG 41 15.916 -12.136 -0.364 321 H LEU 42 H LEU 42 10.497 -7.305 -2.481 322 HA LEU 42 HA LEU 42 11.230 -4.623 -2.481 323 HB2 LEU 42 HB2 LEU 42 8.967 -5.436 -2.953 324 HB3 LEU 42 HB3 LEU 42 8.787 -5.937 -1.283 325 HG LEU 42 HG LEU 42 9.038 -3.515 -0.631 326 HD11 LEU 42 HD11 LEU 42 8.647 -1.838 -2.351 327 HD12 LEU 42 HD12 LEU 42 10.133 -2.736 -2.663 328 HD13 LEU 42 HD13 LEU 42 8.675 -3.092 -3.590 329 HD21 LEU 42 HD21 LEU 42 6.739 -2.945 -1.211 330 HD22 LEU 42 HD22 LEU 42 6.719 -4.230 -2.421 331 HD23 LEU 42 HD23 LEU 42 6.868 -4.632 -0.711 332 H SER 43 H SER 43 10.359 -6.687 0.277 333 HA SER 43 HA SER 43 10.745 -4.694 2.237 334 HB2 SER 43 HB2 SER 43 10.809 -7.703 2.568 335 HB3 SER 43 HB3 SER 43 10.542 -6.518 3.847 336 HG SER 43 HG SER 43 8.852 -7.226 1.696 337 H LYS 44 H LYS 44 12.902 -6.968 0.720 338 HA LYS 44 HA LYS 44 14.942 -6.962 2.666 339 HB2 LYS 44 HB2 LYS 44 14.656 -8.639 0.833 340 HB3 LYS 44 HB3 LYS 44 15.216 -7.425 -0.306 341 HG2 LYS 44 HG2 LYS 44 17.027 -8.890 0.213 342 HG3 LYS 44 HG3 LYS 44 17.353 -7.313 0.939 343 HD2 LYS 44 HD2 LYS 44 16.590 -8.132 3.100 344 HD3 LYS 44 HD3 LYS 44 16.214 -9.702 2.387 345 HE2 LYS 44 HE2 LYS 44 18.588 -9.977 1.802 346 HE3 LYS 44 HE3 LYS 44 18.941 -8.431 2.575 347 HZ1 LYS 44 HZ1 LYS 44 18.151 -9.338 4.670 348 HZ2 LYS 44 HZ2 LYS 44 17.823 -10.826 3.927 349 HZ3 LYS 44 HZ3 LYS 44 19.421 -10.275 4.049 350 H VAL 45 H VAL 45 14.255 -4.856 -0.062 351 HA VAL 45 HA VAL 45 16.811 -3.479 0.372 352 HB VAL 45 HB VAL 45 16.377 -4.369 -1.871 353 HG11 VAL 45 HG11 VAL 45 14.785 -3.274 -3.373 354 HG12 VAL 45 HG12 VAL 45 13.998 -4.129 -2.046 355 HG13 VAL 45 HG13 VAL 45 14.147 -2.374 -1.999 356 HG21 VAL 45 HG21 VAL 45 17.918 -2.544 -1.644 357 HG22 VAL 45 HG22 VAL 45 16.980 -2.319 -3.121 358 HG23 VAL 45 HG23 VAL 45 16.594 -1.380 -1.680 359 H VAL 46 H VAL 46 13.384 -2.840 -0.096 360 HA VAL 46 HA VAL 46 13.699 0.003 0.216 361 HB VAL 46 HB VAL 46 11.160 -1.631 0.169 362 HG11 VAL 46 HG11 VAL 46 10.070 0.491 -0.429 363 HG12 VAL 46 HG12 VAL 46 10.806 0.552 1.172 364 HG13 VAL 46 HG13 VAL 46 11.604 1.330 -0.193 365 HG21 VAL 46 HG21 VAL 46 11.007 -0.973 -2.174 366 HG22 VAL 46 HG22 VAL 46 12.557 -0.139 -2.048 367 HG23 VAL 46 HG23 VAL 46 12.482 -1.892 -1.871 368 H PHE 47 H PHE 47 12.512 -2.624 2.262 369 HA PHE 47 HA PHE 47 11.465 -0.803 4.234 370 HB2 PHE 47 HB2 PHE 47 11.640 -3.806 4.073 371 HB3 PHE 47 HB3 PHE 47 11.039 -2.979 5.505 372 HD1 PHE 47 HD1 PHE 47 10.511 -2.764 1.806 373 HD2 PHE 47 HD2 PHE 47 8.773 -2.891 5.688 374 HE1 PHE 47 HE1 PHE 47 8.270 -2.653 0.800 375 HE2 PHE 47 HE2 PHE 47 6.528 -2.775 4.690 376 HZ PHE 47 HZ PHE 47 6.274 -2.656 2.243 377 H LYS 48 H LYS 48 14.270 -0.519 3.817 378 HA LYS 48 HA LYS 48 15.087 -0.917 6.615 379 HB2 LYS 48 HB2 LYS 48 16.245 -2.476 4.945 380 HB3 LYS 48 HB3 LYS 48 17.051 -1.040 4.335 381 HG2 LYS 48 HG2 LYS 48 17.888 -0.620 6.649 382 HG3 LYS 48 HG3 LYS 48 17.232 -2.189 7.109 383 HD2 LYS 48 HD2 LYS 48 19.226 -1.818 4.884 384 HD3 LYS 48 HD3 LYS 48 19.690 -2.137 6.554 385 HE2 LYS 48 HE2 LYS 48 19.721 -4.234 5.495 386 HE3 LYS 48 HE3 LYS 48 18.219 -4.203 6.413 387 HZ1 LYS 48 HZ1 LYS 48 18.138 -5.077 4.047 388 HZ2 LYS 48 HZ2 LYS 48 16.961 -3.936 4.481 389 HZ3 LYS 48 HZ3 LYS 48 18.298 -3.464 3.550 390 H ASP 49 H ASP 49 14.514 1.164 4.079 391 HA ASP 49 HA ASP 49 16.592 3.090 4.689 392 HB2 ASP 49 HB2 ASP 49 15.797 2.653 2.349 393 HB3 ASP 49 HB3 ASP 49 14.258 3.387 2.790 394 H SER 50 H SER 50 16.384 4.848 5.910 395 HA SER 50 HA SER 50 14.140 5.113 7.635 396 HB2 SER 50 HB2 SER 50 16.481 5.643 8.285 397 HB3 SER 50 HB3 SER 50 16.431 7.039 7.213 398 HG SER 50 HG SER 50 15.038 8.042 8.536 399 H LEU 51 H LEU 51 15.410 7.211 5.037 400 HA LEU 51 HA LEU 51 13.455 9.215 5.535 401 HB2 LEU 51 HB2 LEU 51 14.356 10.242 3.429 402 HB3 LEU 51 HB3 LEU 51 15.501 10.005 4.727 403 HG LEU 51 HG LEU 51 15.382 7.851 2.699 404 HD11 LEU 51 HD11 LEU 51 16.568 10.562 2.111 405 HD12 LEU 51 HD12 LEU 51 16.767 9.111 1.129 406 HD13 LEU 51 HD13 LEU 51 15.174 9.847 1.303 407 HD21 LEU 51 HD21 LEU 51 17.800 7.913 3.021 408 HD22 LEU 51 HD22 LEU 51 17.641 9.353 4.025 409 HD23 LEU 51 HD23 LEU 51 16.974 7.819 4.573 410 H VAL 52 H VAL 52 13.819 6.683 3.091 411 HA VAL 52 HA VAL 52 11.597 7.444 1.518 412 HB VAL 52 HB VAL 52 12.791 4.696 1.945 413 HG11 VAL 52 HG11 VAL 52 11.651 4.052 -0.132 414 HG12 VAL 52 HG12 VAL 52 10.501 4.480 1.137 415 HG13 VAL 52 HG13 VAL 52 10.840 5.617 -0.166 416 HG21 VAL 52 HG21 VAL 52 13.147 6.708 -0.275 417 HG22 VAL 52 HG22 VAL 52 14.334 6.309 0.970 418 HG23 VAL 52 HG23 VAL 52 13.862 5.095 -0.219 419 H ALA 53 H ALA 53 11.875 5.237 4.280 420 HA ALA 53 HA ALA 53 9.182 4.414 4.328 421 HB1 ALA 53 HB1 ALA 53 9.633 3.669 6.608 422 HB2 ALA 53 HB2 ALA 53 10.947 3.220 5.519 423 HB3 ALA 53 HB3 ALA 53 11.140 4.589 6.616 424 H ASP 54 H ASP 54 10.881 7.021 6.041 425 HA ASP 54 HA ASP 54 8.715 7.931 7.572 426 HB2 ASP 54 HB2 ASP 54 11.031 8.654 7.989 427 HB3 ASP 54 HB3 ASP 54 11.032 9.540 6.466 428 H TYR 55 H TYR 55 9.824 8.881 4.351 429 HA TYR 55 HA TYR 55 8.053 10.952 3.826 430 HB2 TYR 55 HB2 TYR 55 9.910 10.465 2.359 431 HB3 TYR 55 HB3 TYR 55 9.237 8.890 1.957 432 HD1 TYR 55 HD1 TYR 55 8.593 12.543 1.652 433 HD2 TYR 55 HD2 TYR 55 7.804 8.653 0.119 434 HE1 TYR 55 HE1 TYR 55 7.447 13.542 -0.279 435 HE2 TYR 55 HE2 TYR 55 6.654 9.640 -1.815 436 HH TYR 55 HH TYR 55 6.875 12.940 -2.590 437 H PHE 56 H PHE 56 7.635 7.479 3.143 438 HA PHE 56 HA PHE 56 5.022 7.776 2.082 439 HB2 PHE 56 HB2 PHE 56 6.656 5.437 3.005 440 HB3 PHE 56 HB3 PHE 56 4.948 5.224 2.646 441 HD1 PHE 56 HD1 PHE 56 8.235 6.029 1.232 442 HD2 PHE 56 HD2 PHE 56 4.121 5.318 0.406 443 HE1 PHE 56 HE1 PHE 56 8.757 5.797 -1.161 444 HE2 PHE 56 HE2 PHE 56 4.637 5.086 -1.988 445 HZ PHE 56 HZ PHE 56 6.958 5.324 -2.774 446 H ASN 57 H ASN 57 6.210 6.744 5.276 447 HA ASN 57 HA ASN 57 3.690 6.107 6.352 448 HB2 ASN 57 HB2 ASN 57 5.914 5.415 7.292 449 HB3 ASN 57 HB3 ASN 57 6.110 7.056 7.899 450 HD21 ASN 57 HD21 ASN 57 6.195 6.347 10.031 451 HD22 ASN 57 HD22 ASN 57 4.791 5.778 10.873 452 H ARG 58 H ARG 58 5.352 9.163 6.040 453 HA ARG 58 HA ARG 58 3.624 10.521 7.903 454 HB2 ARG 58 HB2 ARG 58 5.905 11.301 7.647 455 HB3 ARG 58 HB3 ARG 58 5.647 11.594 5.931 456 HG2 ARG 58 HG2 ARG 58 4.031 13.330 6.450 457 HG3 ARG 58 HG3 ARG 58 4.226 13.011 8.175 458 HD2 ARG 58 HD2 ARG 58 6.541 13.702 8.075 459 HD3 ARG 58 HD3 ARG 58 6.427 13.922 6.328 460 HE ARG 58 HE ARG 58 4.578 15.609 7.051 461 HH11 ARG 58 HH11 ARG 58 7.634 15.026 8.673 462 HH12 ARG 58 HH12 ARG 58 7.750 16.649 9.283 463 HH21 ARG 58 HH21 ARG 58 4.728 17.728 7.838 464 HH22 ARG 58 HH22 ARG 58 6.091 18.192 8.817 465 H HIS 59 H HIS 59 3.937 10.376 4.357 466 HA HIS 59 HA HIS 59 1.780 12.305 4.075 467 HB2 HIS 59 HB2 HIS 59 3.567 10.947 2.064 468 HB3 HIS 59 HB3 HIS 59 2.209 11.962 1.589 469 HD1 HIS 59 HD1 HIS 59 2.473 14.502 1.858 470 HD2 HIS 59 HD2 HIS 59 5.747 12.316 3.202 471 HE1 HIS 59 HE1 HIS 59 4.321 16.181 2.202 472 HE2 HIS 59 HE2 HIS 59 6.255 14.852 3.135 473 H PHE 60 H PHE 60 2.174 8.898 4.028 474 HA PHE 60 HA PHE 60 -0.611 8.605 3.115 475 HB2 PHE 60 HB2 PHE 60 1.592 6.597 2.607 476 HB3 PHE 60 HB3 PHE 60 -0.052 6.547 1.988 477 HD1 PHE 60 HD1 PHE 60 -0.745 8.081 0.191 478 HD2 PHE 60 HD2 PHE 60 3.285 7.888 1.546 479 HE1 PHE 60 HE1 PHE 60 -0.004 9.231 -1.854 480 HE2 PHE 60 HE2 PHE 60 4.030 9.039 -0.496 481 HZ PHE 60 HZ PHE 60 2.386 9.713 -2.198 482 H VAL 61 H VAL 61 -1.878 7.430 4.475 483 HA VAL 61 HA VAL 61 -0.641 6.310 6.843 484 HB VAL 61 HB VAL 61 -3.051 5.652 7.422 485 HG11 VAL 61 HG11 VAL 61 -1.896 7.559 8.414 486 HG12 VAL 61 HG12 VAL 61 -2.365 8.568 7.046 487 HG13 VAL 61 HG13 VAL 61 -3.596 7.932 8.136 488 HG21 VAL 61 HG21 VAL 61 -4.813 6.867 6.255 489 HG22 VAL 61 HG22 VAL 61 -3.627 7.524 5.127 490 HG23 VAL 61 HG23 VAL 61 -3.959 5.792 5.148 491 H ASN 62 H ASN 62 0.229 4.392 6.783 492 HA ASN 62 HA ASN 62 -0.278 2.620 4.573 493 HB2 ASN 62 HB2 ASN 62 1.634 2.426 6.909 494 HB3 ASN 62 HB3 ASN 62 1.555 1.253 5.598 495 HD21 ASN 62 HD21 ASN 62 2.472 4.489 6.498 496 HD22 ASN 62 HD22 ASN 62 3.378 4.836 5.072 497 H LEU 63 H LEU 63 -2.073 1.473 4.671 498 HA LEU 63 HA LEU 63 -2.903 0.257 7.205 499 HB2 LEU 63 HB2 LEU 63 -4.602 1.560 6.095 500 HB3 LEU 63 HB3 LEU 63 -4.336 0.705 4.588 501 HG LEU 63 HG LEU 63 -5.174 -1.373 5.666 502 HD11 LEU 63 HD11 LEU 63 -6.423 -1.160 7.772 503 HD12 LEU 63 HD12 LEU 63 -4.698 -0.854 7.973 504 HD13 LEU 63 HD13 LEU 63 -5.833 0.495 7.938 505 HD21 LEU 63 HD21 LEU 63 -7.071 0.974 5.711 506 HD22 LEU 63 HD22 LEU 63 -6.631 0.023 4.291 507 HD23 LEU 63 HD23 LEU 63 -7.525 -0.729 5.612 508 H LYS 64 H LYS 64 -2.641 -1.853 7.549 509 HA LYS 64 HA LYS 64 -1.793 -3.559 5.335 510 HB2 LYS 64 HB2 LYS 64 -0.461 -3.712 7.352 511 HB3 LYS 64 HB3 LYS 64 -1.893 -4.047 8.317 512 HG2 LYS 64 HG2 LYS 64 -2.186 -6.178 7.228 513 HG3 LYS 64 HG3 LYS 64 -0.849 -5.835 6.129 514 HD2 LYS 64 HD2 LYS 64 0.702 -5.794 8.010 515 HD3 LYS 64 HD3 LYS 64 -0.632 -6.085 9.128 516 HE2 LYS 64 HE2 LYS 64 0.139 -7.961 6.901 517 HE3 LYS 64 HE3 LYS 64 0.727 -8.109 8.555 518 HZ1 LYS 64 HZ1 LYS 64 -1.593 -8.308 9.288 519 HZ2 LYS 64 HZ2 LYS 64 -2.110 -8.276 7.673 520 HZ3 LYS 64 HZ3 LYS 64 -1.147 -9.552 8.229 521 H MET 65 H MET 65 -3.269 -4.643 4.226 522 HA MET 65 HA MET 65 -5.579 -5.737 5.687 523 HB2 MET 65 HB2 MET 65 -5.582 -4.480 2.939 524 HB3 MET 65 HB3 MET 65 -6.907 -5.451 3.567 525 HG2 MET 65 HG2 MET 65 -7.118 -3.845 5.446 526 HG3 MET 65 HG3 MET 65 -5.898 -2.839 4.666 527 HE1 MET 65 HE1 MET 65 -9.527 -4.271 4.508 528 HE2 MET 65 HE2 MET 65 -10.067 -3.747 2.912 529 HE3 MET 65 HE3 MET 65 -8.799 -4.964 3.058 530 H ASP 66 H ASP 66 -5.356 -7.841 5.745 531 HA ASP 66 HA ASP 66 -3.739 -9.333 3.967 532 HB2 ASP 66 HB2 ASP 66 -5.872 -10.262 5.909 533 HB3 ASP 66 HB3 ASP 66 -4.693 -11.301 5.125 534 H MET 67 H MET 67 -4.245 -10.471 2.151 535 HA MET 67 HA MET 67 -6.691 -9.845 0.790 536 HB2 MET 67 HB2 MET 67 -4.346 -11.609 0.141 537 HB3 MET 67 HB3 MET 67 -5.768 -11.559 -0.888 538 HG2 MET 67 HG2 MET 67 -5.430 -9.163 -1.226 539 HG3 MET 67 HG3 MET 67 -3.990 -9.232 -0.207 540 HE1 MET 67 HE1 MET 67 -2.867 -8.003 -2.425 541 HE2 MET 67 HE2 MET 67 -2.767 -8.800 -3.995 542 HE3 MET 67 HE3 MET 67 -4.329 -8.251 -3.383 543 H GLU 68 H GLU 68 -5.789 -12.207 2.993 544 HA GLU 68 HA GLU 68 -7.866 -14.077 2.067 545 HB2 GLU 68 HB2 GLU 68 -5.395 -14.623 3.725 546 HB3 GLU 68 HB3 GLU 68 -6.547 -15.830 3.158 547 HG2 GLU 68 HG2 GLU 68 -5.948 -15.464 0.898 548 HG3 GLU 68 HG3 GLU 68 -5.009 -14.036 1.310 549 H LYS 69 H LYS 69 -8.406 -11.806 3.529 550 HA LYS 69 HA LYS 69 -8.901 -12.724 6.269 551 HB2 LYS 69 HB2 LYS 69 -7.604 -10.558 5.717 552 HB3 LYS 69 HB3 LYS 69 -9.162 -9.897 5.254 553 HG2 LYS 69 HG2 LYS 69 -10.002 -10.280 7.509 554 HG3 LYS 69 HG3 LYS 69 -8.440 -10.958 7.975 555 HD2 LYS 69 HD2 LYS 69 -7.375 -8.796 7.417 556 HD3 LYS 69 HD3 LYS 69 -8.969 -8.134 7.048 557 HE2 LYS 69 HE2 LYS 69 -9.680 -8.542 9.347 558 HE3 LYS 69 HE3 LYS 69 -8.101 -9.237 9.718 559 HZ1 LYS 69 HZ1 LYS 69 -7.118 -7.052 9.122 560 HZ2 LYS 69 HZ2 LYS 69 -8.687 -6.418 8.987 561 HZ3 LYS 69 HZ3 LYS 69 -8.126 -7.001 10.478 562 H GLY 70 H GLY 70 -10.996 -11.445 7.146 563 HA2 GLY 70 HA2 GLY 70 -13.246 -12.619 5.975 564 HA3 GLY 70 HA3 GLY 70 -13.280 -11.302 7.136 565 H GLU 71 H GLU 71 -11.812 -9.454 5.413 566 HA GLU 71 HA GLU 71 -13.923 -8.895 3.439 567 HB2 GLU 71 HB2 GLU 71 -11.886 -7.030 4.674 568 HB3 GLU 71 HB3 GLU 71 -13.042 -6.565 3.442 569 HG2 GLU 71 HG2 GLU 71 -14.011 -5.800 5.394 570 HG3 GLU 71 HG3 GLU 71 -14.828 -7.336 5.118 571 H GLY 72 H GLY 72 -11.241 -10.534 3.413 572 HA2 GLY 72 HA2 GLY 72 -9.461 -9.107 1.723 573 HA3 GLY 72 HA3 GLY 72 -9.383 -10.820 2.094 574 H VAL 73 H VAL 73 -11.833 -11.659 1.069 575 HA VAL 73 HA VAL 73 -11.032 -11.936 -1.649 576 HB VAL 73 HB VAL 73 -12.705 -13.524 -1.921 577 HG11 VAL 73 HG11 VAL 73 -12.665 -14.884 0.160 578 HG12 VAL 73 HG12 VAL 73 -11.083 -14.291 -0.344 579 HG13 VAL 73 HG13 VAL 73 -11.930 -13.511 0.992 580 HG21 VAL 73 HG21 VAL 73 -14.648 -12.213 -1.325 581 HG22 VAL 73 HG22 VAL 73 -14.683 -13.758 -0.475 582 HG23 VAL 73 HG23 VAL 73 -14.209 -12.289 0.381 583 H GLU 74 H GLU 74 -13.196 -9.794 0.016 584 HA GLU 74 HA GLU 74 -14.695 -8.909 -2.215 585 HB2 GLU 74 HB2 GLU 74 -14.032 -7.722 0.446 586 HB3 GLU 74 HB3 GLU 74 -14.652 -6.658 -0.807 587 HG2 GLU 74 HG2 GLU 74 -16.563 -7.263 0.304 588 HG3 GLU 74 HG3 GLU 74 -16.533 -8.411 -1.031 589 H LEU 75 H LEU 75 -11.778 -7.535 -0.690 590 HA LEU 75 HA LEU 75 -11.265 -5.547 -2.583 591 HB2 LEU 75 HB2 LEU 75 -9.519 -7.110 -0.697 592 HB3 LEU 75 HB3 LEU 75 -8.834 -5.905 -1.763 593 HG LEU 75 HG LEU 75 -9.288 -5.177 0.605 594 HD11 LEU 75 HD11 LEU 75 -8.919 -3.579 -1.196 595 HD12 LEU 75 HD12 LEU 75 -10.637 -3.620 -1.589 596 HD13 LEU 75 HD13 LEU 75 -10.103 -2.971 -0.039 597 HD21 LEU 75 HD21 LEU 75 -11.561 -4.485 1.174 598 HD22 LEU 75 HD22 LEU 75 -12.152 -5.238 -0.307 599 HD23 LEU 75 HD23 LEU 75 -11.438 -6.232 0.961 600 H ARG 76 H ARG 76 -10.401 -8.952 -2.509 601 HA ARG 76 HA ARG 76 -8.619 -9.043 -4.653 602 HB2 ARG 76 HB2 ARG 76 -10.417 -11.008 -3.325 603 HB3 ARG 76 HB3 ARG 76 -9.727 -11.450 -4.880 604 HG2 ARG 76 HG2 ARG 76 -7.533 -11.311 -4.069 605 HG3 ARG 76 HG3 ARG 76 -8.038 -10.455 -2.617 606 HD2 ARG 76 HD2 ARG 76 -7.466 -12.813 -2.182 607 HD3 ARG 76 HD3 ARG 76 -9.147 -12.448 -1.795 608 HE ARG 76 HE ARG 76 -9.683 -13.474 -4.023 609 HH11 ARG 76 HH11 ARG 76 -6.705 -14.331 -2.376 610 HH12 ARG 76 HH12 ARG 76 -6.675 -15.955 -3.007 611 HH21 ARG 76 HH21 ARG 76 -9.609 -15.577 -4.887 612 HH22 ARG 76 HH22 ARG 76 -8.303 -16.647 -4.466 613 H LYS 77 H LYS 77 -12.154 -9.317 -4.639 614 HA LYS 77 HA LYS 77 -12.316 -9.637 -7.485 615 HB2 LYS 77 HB2 LYS 77 -14.042 -10.562 -6.020 616 HB3 LYS 77 HB3 LYS 77 -14.436 -8.951 -5.437 617 HG2 LYS 77 HG2 LYS 77 -15.015 -8.371 -7.827 618 HG3 LYS 77 HG3 LYS 77 -14.901 -10.097 -8.173 619 HD2 LYS 77 HD2 LYS 77 -16.636 -10.567 -6.546 620 HD3 LYS 77 HD3 LYS 77 -16.706 -8.862 -6.097 621 HE2 LYS 77 HE2 LYS 77 -17.339 -8.345 -8.453 622 HE3 LYS 77 HE3 LYS 77 -17.439 -10.079 -8.754 623 HZ1 LYS 77 HZ1 LYS 77 -19.165 -10.246 -7.088 624 HZ2 LYS 77 HZ2 LYS 77 -19.036 -8.592 -6.742 625 HZ3 LYS 77 HZ3 LYS 77 -19.604 -9.101 -8.258 626 H LYS 78 H LYS 78 -12.708 -7.012 -5.185 627 HA LYS 78 HA LYS 78 -13.840 -5.093 -6.837 628 HB2 LYS 78 HB2 LYS 78 -12.171 -4.949 -4.357 629 HB3 LYS 78 HB3 LYS 78 -12.642 -3.477 -5.178 630 HG2 LYS 78 HG2 LYS 78 -15.011 -4.172 -4.966 631 HG3 LYS 78 HG3 LYS 78 -14.469 -5.570 -4.040 632 HD2 LYS 78 HD2 LYS 78 -13.546 -4.139 -2.331 633 HD3 LYS 78 HD3 LYS 78 -13.934 -2.702 -3.279 634 HE2 LYS 78 HE2 LYS 78 -15.988 -4.668 -2.282 635 HE3 LYS 78 HE3 LYS 78 -15.531 -3.204 -1.412 636 HZ1 LYS 78 HZ1 LYS 78 -16.387 -1.856 -3.123 637 HZ2 LYS 78 HZ2 LYS 78 -16.534 -3.153 -4.204 638 HZ3 LYS 78 HZ3 LYS 78 -17.566 -3.049 -2.861 639 H TYR 79 H TYR 79 -10.405 -5.665 -6.140 640 HA TYR 79 HA TYR 79 -9.737 -3.688 -8.210 641 HB2 TYR 79 HB2 TYR 79 -8.057 -4.836 -5.971 642 HB3 TYR 79 HB3 TYR 79 -7.491 -3.661 -7.158 643 HD1 TYR 79 HD1 TYR 79 -9.756 -4.190 -4.306 644 HD2 TYR 79 HD2 TYR 79 -8.109 -1.346 -7.006 645 HE1 TYR 79 HE1 TYR 79 -10.644 -2.371 -2.917 646 HE2 TYR 79 HE2 TYR 79 -8.984 0.482 -5.616 647 HH TYR 79 HH TYR 79 -10.772 0.851 -3.964 648 H GLY 80 H GLY 80 -10.241 -6.866 -7.995 649 HA2 GLY 80 HA2 GLY 80 -9.687 -8.679 -9.277 650 HA3 GLY 80 HA3 GLY 80 -9.272 -7.496 -10.504 651 H VAL 81 H VAL 81 -7.906 -8.834 -7.489 652 HA VAL 81 HA VAL 81 -5.249 -8.330 -8.482 653 HB VAL 81 HB VAL 81 -4.461 -9.152 -6.363 654 HG11 VAL 81 HG11 VAL 81 -6.885 -7.408 -6.002 655 HG12 VAL 81 HG12 VAL 81 -5.557 -7.578 -4.855 656 HG13 VAL 81 HG13 VAL 81 -5.269 -6.860 -6.439 657 HG21 VAL 81 HG21 VAL 81 -7.307 -9.954 -5.824 658 HG22 VAL 81 HG22 VAL 81 -5.931 -11.036 -6.037 659 HG23 VAL 81 HG23 VAL 81 -6.007 -9.970 -4.633 660 H HIS 82 H HIS 82 -3.760 -9.820 -9.090 661 HA HIS 82 HA HIS 82 -4.524 -12.646 -9.091 662 HB2 HIS 82 HB2 HIS 82 -3.729 -11.031 -11.493 663 HB3 HIS 82 HB3 HIS 82 -3.387 -12.758 -11.424 664 HD1 HIS 82 HD1 HIS 82 -5.671 -14.224 -10.795 665 HD2 HIS 82 HD2 HIS 82 -6.146 -10.500 -12.577 666 HE1 HIS 82 HE1 HIS 82 -7.989 -14.230 -11.765 667 HE2 HIS 82 HE2 HIS 82 -8.139 -12.077 -13.068 668 H ALA 83 H ALA 83 -2.153 -10.164 -8.949 669 HA ALA 83 HA ALA 83 0.041 -12.051 -8.666 670 HB1 ALA 83 HB1 ALA 83 0.003 -9.050 -8.332 671 HB2 ALA 83 HB2 ALA 83 1.437 -10.073 -8.367 672 HB3 ALA 83 HB3 ALA 83 0.435 -9.909 -9.809 673 H TYR 84 H TYR 84 1.505 -11.431 -6.641 674 HA TYR 84 HA TYR 84 -0.245 -11.916 -4.367 675 HB2 TYR 84 HB2 TYR 84 2.766 -12.073 -4.552 676 HB3 TYR 84 HB3 TYR 84 1.797 -12.564 -3.167 677 HD1 TYR 84 HD1 TYR 84 -0.314 -14.149 -4.081 678 HD2 TYR 84 HD2 TYR 84 3.593 -13.882 -5.743 679 HE1 TYR 84 HE1 TYR 84 -0.589 -16.384 -5.061 680 HE2 TYR 84 HE2 TYR 84 3.325 -16.118 -6.735 681 HH TYR 84 HH TYR 84 0.330 -17.688 -6.949 682 HA PRO 85 HA PRO 85 1.689 -7.923 -2.846 683 HB2 PRO 85 HB2 PRO 85 3.642 -6.631 -4.149 684 HB3 PRO 85 HB3 PRO 85 3.980 -8.020 -3.112 685 HG2 PRO 85 HG2 PRO 85 3.931 -7.836 -6.073 686 HG3 PRO 85 HG3 PRO 85 4.901 -8.884 -5.024 687 HD2 PRO 85 HD2 PRO 85 2.524 -9.574 -6.402 688 HD3 PRO 85 HD3 PRO 85 3.377 -10.550 -5.192 689 H THR 86 H THR 86 -0.113 -6.699 -3.169 690 HA THR 86 HA THR 86 -0.238 -5.120 -5.652 691 HB THR 86 HB THR 86 -2.625 -6.406 -4.303 692 HG1 THR 86 HG1 THR 86 -1.101 -7.790 -5.562 693 HG21 THR 86 HG21 THR 86 -3.862 -5.640 -6.272 694 HG22 THR 86 HG22 THR 86 -3.153 -4.280 -5.404 695 HG23 THR 86 HG23 THR 86 -2.406 -4.861 -6.891 696 H LEU 87 H LEU 87 -0.215 -3.010 -5.193 697 HA LEU 87 HA LEU 87 -1.023 -2.170 -2.489 698 HB2 LEU 87 HB2 LEU 87 0.903 -0.840 -4.396 699 HB3 LEU 87 HB3 LEU 87 0.514 -0.285 -2.779 700 HG LEU 87 HG LEU 87 1.885 -2.895 -3.433 701 HD11 LEU 87 HD11 LEU 87 2.968 -0.302 -2.351 702 HD12 LEU 87 HD12 LEU 87 3.860 -1.822 -2.420 703 HD13 LEU 87 HD13 LEU 87 3.340 -1.037 -3.912 704 HD21 LEU 87 HD21 LEU 87 1.280 -1.556 -0.798 705 HD22 LEU 87 HD22 LEU 87 0.575 -3.056 -1.405 706 HD23 LEU 87 HD23 LEU 87 2.291 -2.988 -1.005 707 H LEU 88 H LEU 88 -2.339 -0.378 -2.227 708 HA LEU 88 HA LEU 88 -3.540 0.717 -4.683 709 HB2 LEU 88 HB2 LEU 88 -4.920 -0.434 -2.281 710 HB3 LEU 88 HB3 LEU 88 -5.700 0.814 -3.231 711 HG LEU 88 HG LEU 88 -6.568 -1.209 -4.031 712 HD11 LEU 88 HD11 LEU 88 -5.759 -1.363 -6.333 713 HD12 LEU 88 HD12 LEU 88 -5.955 0.311 -5.810 714 HD13 LEU 88 HD13 LEU 88 -4.346 -0.404 -5.893 715 HD21 LEU 88 HD21 LEU 88 -3.753 -2.271 -4.184 716 HD22 LEU 88 HD22 LEU 88 -4.995 -2.751 -3.025 717 HD23 LEU 88 HD23 LEU 88 -5.197 -3.113 -4.740 718 H PHE 89 H PHE 89 -4.026 2.837 -4.696 719 HA PHE 89 HA PHE 89 -3.560 4.374 -2.224 720 HB2 PHE 89 HB2 PHE 89 -3.201 5.223 -5.110 721 HB3 PHE 89 HB3 PHE 89 -3.048 6.301 -3.727 722 HD1 PHE 89 HD1 PHE 89 -1.535 3.486 -5.531 723 HD2 PHE 89 HD2 PHE 89 -1.102 6.271 -2.342 724 HE1 PHE 89 HE1 PHE 89 0.840 2.886 -5.334 725 HE2 PHE 89 HE2 PHE 89 1.276 5.675 -2.141 726 HZ PHE 89 HZ PHE 89 2.248 3.980 -3.636 727 H ILE 90 H ILE 90 -5.403 5.110 -1.372 728 HA ILE 90 HA ILE 90 -7.629 5.710 -3.197 729 HB ILE 90 HB ILE 90 -7.951 3.483 -2.223 730 HG12 ILE 90 HG12 ILE 90 -9.874 5.507 -1.066 731 HG13 ILE 90 HG13 ILE 90 -9.917 4.897 -2.717 732 HG21 ILE 90 HG21 ILE 90 -7.915 4.897 0.431 733 HG22 ILE 90 HG22 ILE 90 -8.356 3.209 0.173 734 HG23 ILE 90 HG23 ILE 90 -6.712 3.754 -0.166 735 HD11 ILE 90 HD11 ILE 90 -11.567 3.807 -1.286 736 HD12 ILE 90 HD12 ILE 90 -10.375 2.659 -1.897 737 HD13 ILE 90 HD13 ILE 90 -10.274 3.234 -0.233 738 H ASN 91 H ASN 91 -9.000 7.356 -2.604 739 HA ASN 91 HA ASN 91 -7.960 9.294 -0.736 740 HB2 ASN 91 HB2 ASN 91 -10.436 9.316 -2.478 741 HB3 ASN 91 HB3 ASN 91 -9.951 10.656 -1.446 742 HD21 ASN 91 HD21 ASN 91 -10.300 10.650 -4.286 743 HD22 ASN 91 HD22 ASN 91 -8.779 11.079 -4.988 744 H SER 92 H SER 92 -9.566 10.432 0.727 745 HA SER 92 HA SER 92 -10.409 8.651 2.726 746 HB2 SER 92 HB2 SER 92 -11.414 11.477 2.454 747 HB3 SER 92 HB3 SER 92 -11.024 10.581 3.924 748 HG SER 92 HG SER 92 -9.042 11.251 3.758 749 H SER 93 H SER 93 -12.037 10.020 -0.010 750 HA SER 93 HA SER 93 -14.700 9.448 0.920 751 HB2 SER 93 HB2 SER 93 -15.072 9.994 -1.663 752 HB3 SER 93 HB3 SER 93 -14.735 11.268 -0.488 753 HG SER 93 HG SER 93 -13.399 10.974 -2.597 754 H GLY 94 H GLY 94 -12.244 7.540 -0.279 755 HA2 GLY 94 HA2 GLY 94 -12.399 5.247 -0.756 756 HA3 GLY 94 HA3 GLY 94 -14.127 5.438 -1.003 757 H GLU 95 H GLU 95 -11.718 7.463 -2.504 758 HA GLU 95 HA GLU 95 -12.522 6.427 -5.130 759 HB2 GLU 95 HB2 GLU 95 -11.177 9.029 -4.377 760 HB3 GLU 95 HB3 GLU 95 -11.602 8.546 -6.015 761 HG2 GLU 95 HG2 GLU 95 -13.951 8.565 -5.446 762 HG3 GLU 95 HG3 GLU 95 -13.563 8.953 -3.770 763 H VAL 96 H VAL 96 -11.092 5.397 -6.396 764 HA VAL 96 HA VAL 96 -8.428 4.917 -5.336 765 HB VAL 96 HB VAL 96 -9.664 3.813 -7.866 766 HG11 VAL 96 HG11 VAL 96 -7.333 2.870 -6.201 767 HG12 VAL 96 HG12 VAL 96 -8.016 2.002 -7.577 768 HG13 VAL 96 HG13 VAL 96 -7.256 3.578 -7.815 769 HG21 VAL 96 HG21 VAL 96 -10.223 1.819 -6.550 770 HG22 VAL 96 HG22 VAL 96 -9.669 2.636 -5.088 771 HG23 VAL 96 HG23 VAL 96 -11.071 3.250 -5.963 772 H VAL 97 H VAL 97 -6.831 6.288 -5.833 773 HA VAL 97 HA VAL 97 -7.080 7.954 -8.203 774 HB VAL 97 HB VAL 97 -5.081 9.138 -7.386 775 HG11 VAL 97 HG11 VAL 97 -6.112 10.107 -5.376 776 HG12 VAL 97 HG12 VAL 97 -7.267 9.898 -6.693 777 HG13 VAL 97 HG13 VAL 97 -7.258 8.767 -5.340 778 HG21 VAL 97 HG21 VAL 97 -3.939 7.295 -6.282 779 HG22 VAL 97 HG22 VAL 97 -4.179 8.638 -5.163 780 HG23 VAL 97 HG23 VAL 97 -5.216 7.215 -5.067 781 H TYR 98 H TYR 98 -5.273 5.214 -7.090 782 HA TYR 98 HA TYR 98 -4.247 4.686 -9.703 783 HB2 TYR 98 HB2 TYR 98 -2.647 6.429 -8.910 784 HB3 TYR 98 HB3 TYR 98 -2.245 5.399 -7.544 785 HD1 TYR 98 HD1 TYR 98 -2.366 5.264 -11.274 786 HD2 TYR 98 HD2 TYR 98 -0.371 4.057 -7.719 787 HE1 TYR 98 HE1 TYR 98 -0.610 4.208 -12.628 788 HE2 TYR 98 HE2 TYR 98 1.394 2.993 -9.064 789 HH TYR 98 HH TYR 98 1.809 3.590 -12.340 790 H ARG 99 H ARG 99 -3.829 2.539 -9.915 791 HA ARG 99 HA ARG 99 -3.725 0.951 -7.446 792 HB2 ARG 99 HB2 ARG 99 -4.767 -0.865 -8.538 793 HB3 ARG 99 HB3 ARG 99 -5.695 0.547 -9.010 794 HG2 ARG 99 HG2 ARG 99 -3.533 -0.632 -10.732 795 HG3 ARG 99 HG3 ARG 99 -5.215 -1.151 -10.807 796 HD2 ARG 99 HD2 ARG 99 -4.249 1.671 -11.248 797 HD3 ARG 99 HD3 ARG 99 -4.637 0.519 -12.526 798 HE ARG 99 HE ARG 99 -6.881 0.659 -10.909 799 HH11 ARG 99 HH11 ARG 99 -5.015 2.834 -12.935 800 HH12 ARG 99 HH12 ARG 99 -6.363 3.878 -13.274 801 HH21 ARG 99 HH21 ARG 99 -8.668 2.004 -11.398 802 HH22 ARG 99 HH22 ARG 99 -8.446 3.386 -12.435 803 H LEU 100 H LEU 100 -2.103 -0.550 -7.196 804 HA LEU 100 HA LEU 100 -0.001 -0.478 -9.257 805 HB2 LEU 100 HB2 LEU 100 0.491 0.925 -7.256 806 HB3 LEU 100 HB3 LEU 100 0.404 -0.526 -6.267 807 HG LEU 100 HG LEU 100 2.310 -1.464 -7.571 808 HD11 LEU 100 HD11 LEU 100 2.439 1.319 -8.721 809 HD12 LEU 100 HD12 LEU 100 3.630 0.039 -8.958 810 HD13 LEU 100 HD13 LEU 100 2.000 -0.141 -9.609 811 HD21 LEU 100 HD21 LEU 100 2.657 -0.373 -5.419 812 HD22 LEU 100 HD22 LEU 100 4.006 -0.061 -6.512 813 HD23 LEU 100 HD23 LEU 100 2.795 1.188 -6.226 814 H VAL 101 H VAL 101 0.605 -2.386 -9.981 815 HA VAL 101 HA VAL 101 0.212 -4.756 -8.267 816 HB VAL 101 HB VAL 101 -0.027 -4.670 -11.283 817 HG11 VAL 101 HG11 VAL 101 -0.793 -6.979 -11.084 818 HG12 VAL 101 HG12 VAL 101 0.839 -6.792 -10.438 819 HG13 VAL 101 HG13 VAL 101 -0.535 -6.919 -9.340 820 HG21 VAL 101 HG21 VAL 101 -2.171 -4.942 -9.182 821 HG22 VAL 101 HG22 VAL 101 -1.927 -3.568 -10.260 822 HG23 VAL 101 HG23 VAL 101 -2.415 -5.130 -10.919 823 H GLY 102 H GLY 102 2.174 -5.401 -7.636 824 HA2 GLY 102 HA2 GLY 102 4.266 -6.459 -8.242 825 HA3 GLY 102 HA3 GLY 102 4.354 -5.373 -9.625 826 H ALA 103 H ALA 103 6.467 -5.680 -7.789 827 HA ALA 103 HA ALA 103 6.581 -2.999 -6.656 828 HB1 ALA 103 HB1 ALA 103 7.300 -3.803 -4.460 829 HB2 ALA 103 HB2 ALA 103 5.664 -4.343 -4.847 830 HB3 ALA 103 HB3 ALA 103 7.017 -5.466 -4.979 831 H GLU 104 H GLU 104 8.356 -2.178 -7.454 832 HA GLU 104 HA GLU 104 10.719 -3.867 -7.829 833 HB2 GLU 104 HB2 GLU 104 9.983 -1.149 -8.924 834 HB3 GLU 104 HB3 GLU 104 11.589 -1.839 -9.089 835 HG2 GLU 104 HG2 GLU 104 10.511 -2.280 -11.111 836 HG3 GLU 104 HG3 GLU 104 10.484 -3.804 -10.229 837 H ASP 105 H ASP 105 12.777 -2.224 -7.633 838 HA ASP 105 HA ASP 105 13.231 -1.841 -4.899 839 HB2 ASP 105 HB2 ASP 105 14.615 -0.804 -7.361 840 HB3 ASP 105 HB3 ASP 105 15.163 -0.350 -5.751 841 H ALA 106 H ALA 106 13.849 0.270 -3.880 842 HA ALA 106 HA ALA 106 11.577 1.714 -3.426 843 HB1 ALA 106 HB1 ALA 106 12.906 3.287 -2.172 844 HB2 ALA 106 HB2 ALA 106 13.506 1.651 -1.912 845 HB3 ALA 106 HB3 ALA 106 14.371 2.746 -2.986 846 HA PRO 107 HA PRO 107 13.050 5.433 -6.183 847 HB2 PRO 107 HB2 PRO 107 14.811 4.123 -8.160 848 HB3 PRO 107 HB3 PRO 107 15.018 5.661 -7.315 849 HG2 PRO 107 HG2 PRO 107 16.508 3.526 -6.695 850 HG3 PRO 107 HG3 PRO 107 15.954 4.661 -5.449 851 HD2 PRO 107 HD2 PRO 107 14.876 1.961 -6.171 852 HD3 PRO 107 HD3 PRO 107 15.125 2.682 -4.568 853 H GLU 108 H GLU 108 12.963 2.239 -7.696 854 HA GLU 108 HA GLU 108 11.599 3.037 -10.046 855 HB2 GLU 108 HB2 GLU 108 11.657 0.294 -8.780 856 HB3 GLU 108 HB3 GLU 108 11.347 0.677 -10.465 857 HG2 GLU 108 HG2 GLU 108 13.951 1.086 -9.016 858 HG3 GLU 108 HG3 GLU 108 13.586 -0.211 -10.153 859 H LEU 109 H LEU 109 10.575 1.562 -7.003 860 HA LEU 109 HA LEU 109 7.838 1.291 -7.545 861 HB2 LEU 109 HB2 LEU 109 9.076 0.330 -5.599 862 HB3 LEU 109 HB3 LEU 109 9.139 1.929 -4.897 863 HG LEU 109 HG LEU 109 6.650 1.953 -4.836 864 HD11 LEU 109 HD11 LEU 109 5.439 -0.136 -5.123 865 HD12 LEU 109 HD12 LEU 109 6.249 0.327 -6.619 866 HD13 LEU 109 HD13 LEU 109 6.928 -0.947 -5.607 867 HD21 LEU 109 HD21 LEU 109 7.990 -0.321 -3.378 868 HD22 LEU 109 HD22 LEU 109 7.953 1.366 -2.864 869 HD23 LEU 109 HD23 LEU 109 6.458 0.431 -2.931 870 H LEU 110 H LEU 110 9.622 3.880 -5.928 871 HA LEU 110 HA LEU 110 7.467 5.613 -5.505 872 HB2 LEU 110 HB2 LEU 110 9.651 5.850 -4.410 873 HB3 LEU 110 HB3 LEU 110 10.372 6.300 -5.943 874 HG LEU 110 HG LEU 110 8.981 8.331 -5.998 875 HD11 LEU 110 HD11 LEU 110 8.064 7.431 -3.272 876 HD12 LEU 110 HD12 LEU 110 7.739 9.004 -3.998 877 HD13 LEU 110 HD13 LEU 110 7.072 7.542 -4.726 878 HD21 LEU 110 HD21 LEU 110 10.578 7.971 -3.469 879 HD22 LEU 110 HD22 LEU 110 11.207 8.448 -5.047 880 HD23 LEU 110 HD23 LEU 110 10.107 9.519 -4.176 881 H LYS 111 H LYS 111 9.591 5.225 -8.298 882 HA LYS 111 HA LYS 111 8.768 7.481 -9.753 883 HB2 LYS 111 HB2 LYS 111 10.705 5.918 -10.263 884 HB3 LYS 111 HB3 LYS 111 9.524 4.811 -10.943 885 HG2 LYS 111 HG2 LYS 111 10.472 6.008 -12.749 886 HG3 LYS 111 HG3 LYS 111 8.846 6.651 -12.512 887 HD2 LYS 111 HD2 LYS 111 9.699 8.587 -11.397 888 HD3 LYS 111 HD3 LYS 111 11.328 7.912 -11.355 889 HE2 LYS 111 HE2 LYS 111 11.242 9.542 -13.102 890 HE3 LYS 111 HE3 LYS 111 11.334 7.946 -13.843 891 HZ1 LYS 111 HZ1 LYS 111 8.881 8.052 -14.117 892 HZ2 LYS 111 HZ2 LYS 111 8.929 9.661 -13.579 893 HZ3 LYS 111 HZ3 LYS 111 9.721 9.217 -15.008 894 H LYS 112 H LYS 112 7.516 4.170 -9.670 895 HA LYS 112 HA LYS 112 5.531 4.461 -11.625 896 HB2 LYS 112 HB2 LYS 112 5.721 2.620 -9.244 897 HB3 LYS 112 HB3 LYS 112 4.431 2.514 -10.431 898 HG2 LYS 112 HG2 LYS 112 7.373 2.176 -10.978 899 HG3 LYS 112 HG3 LYS 112 6.165 0.891 -10.900 900 HD2 LYS 112 HD2 LYS 112 6.237 3.157 -12.893 901 HD3 LYS 112 HD3 LYS 112 6.651 1.473 -13.215 902 HE2 LYS 112 HE2 LYS 112 3.943 2.435 -12.299 903 HE3 LYS 112 HE3 LYS 112 4.373 2.105 -13.976 904 HZ1 LYS 112 HZ1 LYS 112 3.193 0.266 -12.845 905 HZ2 LYS 112 HZ2 LYS 112 4.705 -0.180 -13.464 906 HZ3 LYS 112 HZ3 LYS 112 4.515 0.085 -11.804 907 H VAL 113 H VAL 113 5.235 4.688 -8.073 908 HA VAL 113 HA VAL 113 2.504 5.268 -8.108 909 HB VAL 113 HB VAL 113 2.778 5.667 -5.772 910 HG11 VAL 113 HG11 VAL 113 3.800 3.567 -5.081 911 HG12 VAL 113 HG12 VAL 113 2.782 3.367 -6.507 912 HG13 VAL 113 HG13 VAL 113 4.536 3.420 -6.678 913 HG21 VAL 113 HG21 VAL 113 4.767 7.047 -5.754 914 HG22 VAL 113 HG22 VAL 113 4.956 5.681 -4.656 915 HG23 VAL 113 HG23 VAL 113 5.742 5.658 -6.233 916 H LYS 114 H LYS 114 5.386 7.303 -8.138 917 HA LYS 114 HA LYS 114 4.145 9.735 -7.454 918 HB2 LYS 114 HB2 LYS 114 6.595 9.340 -7.460 919 HB3 LYS 114 HB3 LYS 114 6.557 9.357 -9.219 920 HG2 LYS 114 HG2 LYS 114 5.811 11.652 -9.212 921 HG3 LYS 114 HG3 LYS 114 5.718 11.647 -7.453 922 HD2 LYS 114 HD2 LYS 114 8.234 11.096 -8.982 923 HD3 LYS 114 HD3 LYS 114 7.756 12.713 -8.473 924 HE2 LYS 114 HE2 LYS 114 8.220 10.349 -6.663 925 HE3 LYS 114 HE3 LYS 114 9.320 11.697 -6.911 926 HZ1 LYS 114 HZ1 LYS 114 6.700 11.696 -5.549 927 HZ2 LYS 114 HZ2 LYS 114 8.199 12.226 -4.956 928 HZ3 LYS 114 HZ3 LYS 114 7.382 13.133 -6.132 929 H LEU 115 H LEU 115 4.632 8.143 -10.581 930 HA LEU 115 HA LEU 115 3.500 10.324 -12.060 931 HB2 LEU 115 HB2 LEU 115 4.372 7.548 -12.723 932 HB3 LEU 115 HB3 LEU 115 3.327 8.390 -13.850 933 HG LEU 115 HG LEU 115 5.661 8.622 -14.502 934 HD11 LEU 115 HD11 LEU 115 5.770 11.049 -14.683 935 HD12 LEU 115 HD12 LEU 115 4.137 10.459 -14.996 936 HD13 LEU 115 HD13 LEU 115 4.524 11.205 -13.445 937 HD21 LEU 115 HD21 LEU 115 6.045 9.962 -11.829 938 HD22 LEU 115 HD22 LEU 115 6.701 8.397 -12.310 939 HD23 LEU 115 HD23 LEU 115 7.243 9.867 -13.120 940 H GLY 116 H GLY 116 2.197 7.875 -10.164 941 HA2 GLY 116 HA2 GLY 116 -0.340 7.780 -11.595 942 HA3 GLY 116 HA3 GLY 116 0.083 6.857 -10.161 943 H VAL 117 H VAL 117 0.934 8.912 -8.487 944 HA VAL 117 HA VAL 117 -1.665 9.887 -7.673 945 HB VAL 117 HB VAL 117 1.021 10.163 -6.314 946 HG11 VAL 117 HG11 VAL 117 -0.279 10.717 -4.310 947 HG12 VAL 117 HG12 VAL 117 -0.539 11.893 -5.597 948 HG13 VAL 117 HG13 VAL 117 -1.761 10.669 -5.263 949 HG21 VAL 117 HG21 VAL 117 -1.241 8.221 -5.852 950 HG22 VAL 117 HG22 VAL 117 0.343 7.840 -6.524 951 HG23 VAL 117 HG23 VAL 117 0.201 8.364 -4.846 952 H GLU 118 H GLU 118 1.446 11.300 -8.649 953 HA GLU 118 HA GLU 118 0.589 13.979 -8.143 954 HB2 GLU 118 HB2 GLU 118 3.040 12.687 -9.080 955 HB3 GLU 118 HB3 GLU 118 2.728 14.246 -9.830 956 HG2 GLU 118 HG2 GLU 118 4.098 14.541 -7.891 957 HG3 GLU 118 HG3 GLU 118 2.516 15.255 -7.607 958 H SER 119 H SER 119 -1.327 14.126 -9.284 959 HA SER 119 HA SER 119 -2.571 15.046 -10.919 960 HB2 SER 119 HB2 SER 119 -0.652 16.606 -11.131 961 HB3 SER 119 HB3 SER 119 0.044 15.542 -12.352 962 HG SER 119 HG SER 119 -2.381 17.021 -12.488 963 H GLU 120 H GLU 120 -3.698 13.284 -11.573 964 HA GLU 120 HA GLU 120 -2.680 11.558 -13.669 965 HB2 GLU 120 HB2 GLU 120 -4.207 10.620 -12.005 966 HB3 GLU 120 HB3 GLU 120 -5.433 11.808 -12.427 967 HG2 GLU 120 HG2 GLU 120 -5.508 10.827 -14.711 968 HG3 GLU 120 HG3 GLU 120 -4.409 9.566 -14.155 969 H GLY 121 H GLY 121 -4.695 14.359 -13.267 970 HA2 GLY 121 HA2 GLY 121 -4.537 14.922 -16.106 971 HA3 GLY 121 HA3 GLY 121 -6.163 14.688 -15.473 Start of MODEL 13 1 H ALA 1 H ALA 1 17.630 6.289 12.299 2 HA ALA 1 HA ALA 1 17.699 5.371 10.118 3 HB1 ALA 1 HB1 ALA 1 20.684 5.270 10.516 4 HB2 ALA 1 HB2 ALA 1 19.805 4.602 9.140 5 HB3 ALA 1 HB3 ALA 1 19.819 6.344 9.417 6 H GLN 2 H GLN 2 16.546 3.738 11.012 7 HA GLN 2 HA GLN 2 18.085 1.542 12.233 8 HB2 GLN 2 HB2 GLN 2 15.227 2.178 12.974 9 HB3 GLN 2 HB3 GLN 2 16.326 1.069 13.776 10 HG2 GLN 2 HG2 GLN 2 16.436 2.769 15.248 11 HG3 GLN 2 HG3 GLN 2 17.699 3.311 14.144 12 HE21 GLN 2 HE21 GLN 2 15.965 4.838 15.944 13 HE22 GLN 2 HE22 GLN 2 15.137 5.989 14.957 14 H ALA 3 H ALA 3 16.745 -0.555 12.133 15 HA ALA 3 HA ALA 3 15.734 -0.889 9.443 16 HB1 ALA 3 HB1 ALA 3 15.534 -3.254 10.028 17 HB2 ALA 3 HB2 ALA 3 17.134 -2.637 10.444 18 HB3 ALA 3 HB3 ALA 3 15.925 -2.882 11.705 19 H ASP 4 H ASP 4 14.071 0.794 10.069 20 HA ASP 4 HA ASP 4 11.721 -0.427 11.360 21 HB2 ASP 4 HB2 ASP 4 12.477 1.620 12.455 22 HB3 ASP 4 HB3 ASP 4 12.441 2.482 10.921 23 H GLY 5 H GLY 5 12.643 1.761 8.717 24 HA2 GLY 5 HA2 GLY 5 11.876 1.958 6.575 25 HA3 GLY 5 HA3 GLY 5 11.310 0.305 6.733 26 H ILE 6 H ILE 6 9.426 0.559 5.657 27 HA ILE 6 HA ILE 6 7.607 2.702 6.289 28 HB ILE 6 HB ILE 6 7.185 0.278 4.528 29 HG12 ILE 6 HG12 ILE 6 7.967 3.102 3.763 30 HG13 ILE 6 HG13 ILE 6 9.069 1.730 3.811 31 HG21 ILE 6 HG21 ILE 6 5.650 2.865 4.721 32 HG22 ILE 6 HG22 ILE 6 5.364 1.584 3.544 33 HG23 ILE 6 HG23 ILE 6 5.095 1.280 5.260 34 HD11 ILE 6 HD11 ILE 6 6.665 1.988 2.020 35 HD12 ILE 6 HD12 ILE 6 8.346 2.228 1.544 36 HD13 ILE 6 HD13 ILE 6 7.793 0.632 2.055 37 H ALA 7 H ALA 7 6.163 2.647 7.856 38 HA ALA 7 HA ALA 7 5.698 0.118 9.248 39 HB1 ALA 7 HB1 ALA 7 4.859 1.490 11.077 40 HB2 ALA 7 HB2 ALA 7 6.466 2.025 10.584 41 HB3 ALA 7 HB3 ALA 7 5.040 2.939 10.089 42 H PHE 8 H PHE 8 4.083 -0.968 8.289 43 HA PHE 8 HA PHE 8 1.742 0.408 7.305 44 HB2 PHE 8 HB2 PHE 8 2.499 -2.513 7.435 45 HB3 PHE 8 HB3 PHE 8 0.973 -1.934 6.790 46 HD1 PHE 8 HD1 PHE 8 1.237 -0.035 4.957 47 HD2 PHE 8 HD2 PHE 8 4.203 -2.913 5.962 48 HE1 PHE 8 HE1 PHE 8 2.277 0.276 2.751 49 HE2 PHE 8 HE2 PHE 8 5.250 -2.609 3.757 50 HZ PHE 8 HZ PHE 8 4.289 -1.012 2.149 51 H ARG 9 H ARG 9 0.080 0.909 8.543 52 HA ARG 9 HA ARG 9 -0.079 -0.176 11.222 53 HB2 ARG 9 HB2 ARG 9 -1.840 1.857 9.838 54 HB3 ARG 9 HB3 ARG 9 -1.879 1.460 11.551 55 HG2 ARG 9 HG2 ARG 9 0.478 2.226 11.724 56 HG3 ARG 9 HG3 ARG 9 0.382 2.753 10.043 57 HD2 ARG 9 HD2 ARG 9 -0.001 4.635 11.505 58 HD3 ARG 9 HD3 ARG 9 -1.490 4.237 10.648 59 HE ARG 9 HE ARG 9 -1.886 2.898 12.888 60 HH11 ARG 9 HH11 ARG 9 -0.633 6.150 12.458 61 HH12 ARG 9 HH12 ARG 9 -1.188 6.695 14.011 62 HH21 ARG 9 HH21 ARG 9 -2.635 3.614 14.898 63 HH22 ARG 9 HH22 ARG 9 -2.334 5.258 15.402 64 H GLU 10 H GLU 10 -1.166 -1.917 11.699 65 HA GLU 10 HA GLU 10 -2.900 -3.139 9.749 66 HB2 GLU 10 HB2 GLU 10 -2.273 -4.045 12.563 67 HB3 GLU 10 HB3 GLU 10 -2.983 -5.014 11.278 68 HG2 GLU 10 HG2 GLU 10 -0.913 -4.771 9.979 69 HG3 GLU 10 HG3 GLU 10 -0.203 -3.863 11.313 70 H LEU 11 H LEU 11 -4.744 -2.021 9.559 71 HA LEU 11 HA LEU 11 -6.411 -1.690 11.947 72 HB2 LEU 11 HB2 LEU 11 -6.261 0.019 9.464 73 HB3 LEU 11 HB3 LEU 11 -7.376 0.253 10.785 74 HG LEU 11 HG LEU 11 -4.377 0.499 10.973 75 HD11 LEU 11 HD11 LEU 11 -6.530 2.606 10.968 76 HD12 LEU 11 HD12 LEU 11 -4.816 2.890 11.264 77 HD13 LEU 11 HD13 LEU 11 -5.355 2.311 9.687 78 HD21 LEU 11 HD21 LEU 11 -6.536 1.031 13.006 79 HD22 LEU 11 HD22 LEU 11 -5.333 -0.258 13.068 80 HD23 LEU 11 HD23 LEU 11 -4.830 1.428 13.203 81 H SER 12 H SER 12 -8.797 -1.627 11.361 82 HA SER 12 HA SER 12 -9.400 -3.805 9.570 83 HB2 SER 12 HB2 SER 12 -11.754 -3.417 10.349 84 HB3 SER 12 HB3 SER 12 -10.615 -3.725 11.658 85 HG SER 12 HG SER 12 -11.325 -1.910 12.448 86 H PHE 13 H PHE 13 -11.515 -3.412 8.213 87 HA PHE 13 HA PHE 13 -10.851 -1.701 6.103 88 HB2 PHE 13 HB2 PHE 13 -12.325 -3.642 5.827 89 HB3 PHE 13 HB3 PHE 13 -13.564 -2.848 6.795 90 HD1 PHE 13 HD1 PHE 13 -11.568 -2.397 3.687 91 HD2 PHE 13 HD2 PHE 13 -15.197 -1.583 5.753 92 HE1 PHE 13 HE1 PHE 13 -12.494 -1.374 1.650 93 HE2 PHE 13 HE2 PHE 13 -16.126 -0.552 3.722 94 HZ PHE 13 HZ PHE 13 -14.774 -0.447 1.669 95 HA PRO 14 HA PRO 14 -14.145 1.497 7.670 96 HB2 PRO 14 HB2 PRO 14 -14.827 1.327 10.313 97 HB3 PRO 14 HB3 PRO 14 -15.783 0.624 9.005 98 HG2 PRO 14 HG2 PRO 14 -13.799 -0.690 10.821 99 HG3 PRO 14 HG3 PRO 14 -15.382 -1.278 10.278 100 HD2 PRO 14 HD2 PRO 14 -13.096 -2.158 9.177 101 HD3 PRO 14 HD3 PRO 14 -14.570 -1.931 8.211 102 H GLU 15 H GLU 15 -11.856 0.246 10.057 103 HA GLU 15 HA GLU 15 -11.185 2.583 11.366 104 HB2 GLU 15 HB2 GLU 15 -10.617 0.165 11.893 105 HB3 GLU 15 HB3 GLU 15 -9.332 0.305 10.705 106 HG2 GLU 15 HG2 GLU 15 -8.345 0.664 12.769 107 HG3 GLU 15 HG3 GLU 15 -8.490 2.245 12.012 108 H ALA 16 H ALA 16 -9.680 1.009 8.568 109 HA ALA 16 HA ALA 16 -7.626 2.890 8.180 110 HB1 ALA 16 HB1 ALA 16 -7.564 0.658 7.214 111 HB2 ALA 16 HB2 ALA 16 -8.922 1.067 6.164 112 HB3 ALA 16 HB3 ALA 16 -7.376 1.893 5.970 113 H LEU 17 H LEU 17 -10.870 2.644 6.798 114 HA LEU 17 HA LEU 17 -10.670 4.755 4.956 115 HB2 LEU 17 HB2 LEU 17 -12.514 2.944 5.309 116 HB3 LEU 17 HB3 LEU 17 -13.210 4.099 6.424 117 HG LEU 17 HG LEU 17 -14.223 4.125 4.146 118 HD11 LEU 17 HD11 LEU 17 -14.236 6.559 3.889 119 HD12 LEU 17 HD12 LEU 17 -14.423 6.074 5.575 120 HD13 LEU 17 HD13 LEU 17 -12.870 6.680 4.997 121 HD21 LEU 17 HD21 LEU 17 -12.972 5.172 2.322 122 HD22 LEU 17 HD22 LEU 17 -11.530 5.210 3.336 123 HD23 LEU 17 HD23 LEU 17 -12.224 3.664 2.848 124 H LYS 18 H LYS 18 -11.907 4.685 8.297 125 HA LYS 18 HA LYS 18 -12.441 7.407 8.564 126 HB2 LYS 18 HB2 LYS 18 -13.281 5.748 10.097 127 HB3 LYS 18 HB3 LYS 18 -11.651 5.293 10.562 128 HG2 LYS 18 HG2 LYS 18 -11.338 7.544 11.518 129 HG3 LYS 18 HG3 LYS 18 -13.029 7.897 11.140 130 HD2 LYS 18 HD2 LYS 18 -12.073 5.633 12.882 131 HD3 LYS 18 HD3 LYS 18 -12.707 7.165 13.457 132 HE2 LYS 18 HE2 LYS 18 -14.847 6.718 12.406 133 HE3 LYS 18 HE3 LYS 18 -14.213 5.217 11.731 134 HZ1 LYS 18 HZ1 LYS 18 -15.547 4.826 13.709 135 HZ2 LYS 18 HZ2 LYS 18 -13.934 4.358 13.960 136 HZ3 LYS 18 HZ3 LYS 18 -14.509 5.808 14.629 137 H ARG 19 H ARG 19 -9.500 5.532 9.124 138 HA ARG 19 HA ARG 19 -7.975 7.497 10.379 139 HB2 ARG 19 HB2 ARG 19 -7.247 5.262 10.522 140 HB3 ARG 19 HB3 ARG 19 -7.326 5.038 8.787 141 HG2 ARG 19 HG2 ARG 19 -5.047 5.133 9.556 142 HG3 ARG 19 HG3 ARG 19 -5.438 6.471 8.478 143 HD2 ARG 19 HD2 ARG 19 -4.113 7.223 10.352 144 HD3 ARG 19 HD3 ARG 19 -5.714 7.948 10.388 145 HE ARG 19 HE ARG 19 -6.018 5.806 11.995 146 HH11 ARG 19 HH11 ARG 19 -3.599 8.342 11.852 147 HH12 ARG 19 HH12 ARG 19 -3.284 8.314 13.562 148 HH21 ARG 19 HH21 ARG 19 -5.600 5.747 14.247 149 HH22 ARG 19 HH22 ARG 19 -4.418 6.825 14.930 150 H ALA 20 H ALA 20 -8.308 6.647 6.947 151 HA ALA 20 HA ALA 20 -6.421 8.482 5.962 152 HB1 ALA 20 HB1 ALA 20 -7.324 6.629 4.634 153 HB2 ALA 20 HB2 ALA 20 -8.893 7.433 4.587 154 HB3 ALA 20 HB3 ALA 20 -7.497 8.175 3.804 155 H GLU 21 H GLU 21 -9.806 8.801 6.802 156 HA GLU 21 HA GLU 21 -10.123 11.407 5.671 157 HB2 GLU 21 HB2 GLU 21 -11.776 9.662 7.461 158 HB3 GLU 21 HB3 GLU 21 -12.238 11.332 7.168 159 HG2 GLU 21 HG2 GLU 21 -11.738 9.379 4.946 160 HG3 GLU 21 HG3 GLU 21 -13.316 9.589 5.703 161 H VAL 22 H VAL 22 -9.551 10.192 8.969 162 HA VAL 22 HA VAL 22 -9.947 12.724 10.200 163 HB VAL 22 HB VAL 22 -8.976 11.751 12.229 164 HG11 VAL 22 HG11 VAL 22 -11.319 11.393 11.755 165 HG12 VAL 22 HG12 VAL 22 -10.933 9.966 10.794 166 HG13 VAL 22 HG13 VAL 22 -10.638 9.964 12.533 167 HG21 VAL 22 HG21 VAL 22 -8.459 9.305 10.540 168 HG22 VAL 22 HG22 VAL 22 -7.226 10.380 11.196 169 HG23 VAL 22 HG23 VAL 22 -8.236 9.428 12.285 170 H GLU 23 H GLU 23 -7.096 11.150 8.874 171 HA GLU 23 HA GLU 23 -5.459 13.401 9.773 172 HB2 GLU 23 HB2 GLU 23 -4.769 10.841 8.337 173 HB3 GLU 23 HB3 GLU 23 -3.614 12.149 8.546 174 HG2 GLU 23 HG2 GLU 23 -4.026 11.969 11.022 175 HG3 GLU 23 HG3 GLU 23 -4.928 10.493 10.678 176 H ASP 24 H ASP 24 -7.333 12.425 7.158 177 HA ASP 24 HA ASP 24 -7.706 13.152 5.058 178 HB2 ASP 24 HB2 ASP 24 -8.147 15.274 6.238 179 HB3 ASP 24 HB3 ASP 24 -6.455 15.718 6.061 180 H LYS 25 H LYS 25 -6.092 11.555 4.492 181 HA LYS 25 HA LYS 25 -3.890 12.754 2.988 182 HB2 LYS 25 HB2 LYS 25 -3.574 10.507 4.994 183 HB3 LYS 25 HB3 LYS 25 -2.356 10.934 3.794 184 HG2 LYS 25 HG2 LYS 25 -2.007 13.067 4.811 185 HG3 LYS 25 HG3 LYS 25 -3.372 12.827 5.902 186 HD2 LYS 25 HD2 LYS 25 -2.222 10.997 6.994 187 HD3 LYS 25 HD3 LYS 25 -0.886 11.117 5.847 188 HE2 LYS 25 HE2 LYS 25 -0.327 13.315 6.670 189 HE3 LYS 25 HE3 LYS 25 -1.728 13.305 7.741 190 HZ1 LYS 25 HZ1 LYS 25 0.489 11.339 7.910 191 HZ2 LYS 25 HZ2 LYS 25 0.417 12.755 8.840 192 HZ3 LYS 25 HZ3 LYS 25 -0.775 11.560 9.023 193 H LEU 26 H LEU 26 -2.827 10.907 1.644 194 HA LEU 26 HA LEU 26 -4.950 9.506 0.292 195 HB2 LEU 26 HB2 LEU 26 -1.971 9.526 -0.188 196 HB3 LEU 26 HB3 LEU 26 -3.150 8.761 -1.236 197 HG LEU 26 HG LEU 26 -3.047 11.718 -0.645 198 HD11 LEU 26 HD11 LEU 26 -2.153 11.980 -2.879 199 HD12 LEU 26 HD12 LEU 26 -1.090 10.946 -1.922 200 HD13 LEU 26 HD13 LEU 26 -2.172 10.234 -3.119 201 HD21 LEU 26 HD21 LEU 26 -4.680 10.099 -2.594 202 HD22 LEU 26 HD22 LEU 26 -5.277 10.987 -1.193 203 HD23 LEU 26 HD23 LEU 26 -4.596 11.861 -2.564 204 H LEU 27 H LEU 27 -5.369 7.371 0.349 205 HA LEU 27 HA LEU 27 -4.202 5.907 2.579 206 HB2 LEU 27 HB2 LEU 27 -6.640 6.057 2.386 207 HB3 LEU 27 HB3 LEU 27 -6.571 5.300 0.807 208 HG LEU 27 HG LEU 27 -5.716 3.230 1.851 209 HD11 LEU 27 HD11 LEU 27 -5.830 2.986 4.285 210 HD12 LEU 27 HD12 LEU 27 -4.643 4.201 3.808 211 HD13 LEU 27 HD13 LEU 27 -6.214 4.700 4.436 212 HD21 LEU 27 HD21 LEU 27 -7.823 2.590 2.948 213 HD22 LEU 27 HD22 LEU 27 -8.303 4.286 2.985 214 HD23 LEU 27 HD23 LEU 27 -8.093 3.463 1.440 215 H PHE 28 H PHE 28 -2.479 4.726 2.184 216 HA PHE 28 HA PHE 28 -2.198 3.370 -0.401 217 HB2 PHE 28 HB2 PHE 28 -0.256 4.678 0.333 218 HB3 PHE 28 HB3 PHE 28 -0.200 3.774 1.842 219 HD1 PHE 28 HD1 PHE 28 0.326 3.590 -1.788 220 HD2 PHE 28 HD2 PHE 28 0.789 1.607 1.949 221 HE1 PHE 28 HE1 PHE 28 1.808 1.940 -2.852 222 HE2 PHE 28 HE2 PHE 28 2.271 -0.045 0.890 223 HZ PHE 28 HZ PHE 28 2.781 0.118 -1.513 224 H VAL 29 H VAL 29 -3.136 1.445 -0.429 225 HA VAL 29 HA VAL 29 -3.257 -0.120 2.050 226 HB VAL 29 HB VAL 29 -4.734 -0.616 -0.540 227 HG11 VAL 29 HG11 VAL 29 -4.494 -2.588 0.876 228 HG12 VAL 29 HG12 VAL 29 -5.168 -1.699 2.242 229 HG13 VAL 29 HG13 VAL 29 -6.170 -2.042 0.833 230 HG21 VAL 29 HG21 VAL 29 -5.413 1.528 0.351 231 HG22 VAL 29 HG22 VAL 29 -6.695 0.347 0.605 232 HG23 VAL 29 HG23 VAL 29 -5.655 0.821 1.947 233 H ASP 30 H ASP 30 -1.642 -1.503 2.308 234 HA ASP 30 HA ASP 30 -0.343 -2.722 0.012 235 HB2 ASP 30 HB2 ASP 30 1.014 -1.974 1.961 236 HB3 ASP 30 HB3 ASP 30 0.175 -3.150 2.967 237 H CYS 31 H CYS 31 -1.356 -4.343 -0.911 238 HA CYS 31 HA CYS 31 -2.803 -6.266 0.786 239 HB2 CYS 31 HB2 CYS 31 -3.150 -5.719 -2.173 240 HB3 CYS 31 HB3 CYS 31 -4.102 -6.845 -1.211 241 HG CYS 31 HG CYS 31 -4.323 -4.001 0.299 242 H PHE 32 H PHE 32 -1.604 -8.002 1.162 243 HA PHE 32 HA PHE 32 -0.021 -9.089 -1.064 244 HB2 PHE 32 HB2 PHE 32 1.636 -9.892 0.563 245 HB3 PHE 32 HB3 PHE 32 1.473 -8.143 0.640 246 HD1 PHE 32 HD1 PHE 32 0.260 -7.102 2.536 247 HD2 PHE 32 HD2 PHE 32 1.141 -11.264 2.428 248 HE1 PHE 32 HE1 PHE 32 -0.152 -7.250 4.956 249 HE2 PHE 32 HE2 PHE 32 0.730 -11.420 4.847 250 HZ PHE 32 HZ PHE 32 0.083 -9.411 6.114 251 H THR 33 H THR 33 0.178 -11.379 -1.118 252 HA THR 33 HA THR 33 -2.169 -12.666 0.059 253 HB THR 33 HB THR 33 -1.529 -14.532 -1.580 254 HG1 THR 33 HG1 THR 33 -0.310 -12.901 -3.316 255 HG21 THR 33 HG21 THR 33 -2.324 -11.824 -2.664 256 HG22 THR 33 HG22 THR 33 -2.563 -13.368 -3.483 257 HG23 THR 33 HG23 THR 33 -3.414 -13.029 -1.976 258 H THR 34 H THR 34 -1.953 -14.888 0.823 259 HA THR 34 HA THR 34 0.254 -15.075 2.676 260 HB THR 34 HB THR 34 -1.705 -17.295 2.428 261 HG1 THR 34 HG1 THR 34 -2.470 -14.753 3.498 262 HG21 THR 34 HG21 THR 34 -0.650 -15.651 4.734 263 HG22 THR 34 HG22 THR 34 -1.736 -17.033 4.885 264 HG23 THR 34 HG23 THR 34 -0.103 -17.259 4.258 265 H TRP 35 H TRP 35 0.348 -15.665 -0.389 266 HA TRP 35 HA TRP 35 0.993 -18.448 -0.552 267 HB2 TRP 35 HB2 TRP 35 1.270 -16.179 -2.529 268 HB3 TRP 35 HB3 TRP 35 1.677 -17.851 -2.904 269 HD1 TRP 35 HD1 TRP 35 -1.455 -15.974 -1.530 270 HE1 TRP 35 HE1 TRP 35 -3.538 -17.029 -2.616 271 HE3 TRP 35 HE3 TRP 35 0.844 -19.590 -4.333 272 HZ2 TRP 35 HZ2 TRP 35 -4.119 -19.109 -4.430 273 HZ3 TRP 35 HZ3 TRP 35 -0.554 -21.069 -5.719 274 HH2 TRP 35 HH2 TRP 35 -2.984 -20.831 -5.763 275 H CYS 36 H CYS 36 3.018 -15.689 -1.540 276 HA CYS 36 HA CYS 36 5.324 -17.123 -0.387 277 HB2 CYS 36 HB2 CYS 36 5.270 -15.380 -2.865 278 HB3 CYS 36 HB3 CYS 36 6.675 -16.232 -2.227 279 HG CYS 36 HG CYS 36 4.890 -18.707 -2.516 280 H GLY 37 H GLY 37 7.214 -15.077 -0.789 281 HA2 GLY 37 HA2 GLY 37 6.074 -12.823 0.735 282 HA3 GLY 37 HA3 GLY 37 7.533 -13.623 1.293 283 HA PRO 38 HA PRO 38 8.924 -11.321 -2.726 284 HB2 PRO 38 HB2 PRO 38 6.548 -9.807 -3.571 285 HB3 PRO 38 HB3 PRO 38 7.636 -10.809 -4.534 286 HG2 PRO 38 HG2 PRO 38 5.119 -11.579 -3.978 287 HG3 PRO 38 HG3 PRO 38 6.453 -12.741 -4.116 288 HD2 PRO 38 HD2 PRO 38 5.162 -11.617 -1.655 289 HD3 PRO 38 HD3 PRO 38 5.692 -13.280 -1.993 290 H CYS 39 H CYS 39 6.503 -10.012 -0.598 291 HA CYS 39 HA CYS 39 7.370 -7.323 -0.577 292 HB2 CYS 39 HB2 CYS 39 5.990 -8.739 1.703 293 HB3 CYS 39 HB3 CYS 39 5.871 -7.042 1.239 294 HG CYS 39 HG CYS 39 3.770 -7.305 -0.198 295 H LYS 40 H LYS 40 8.439 -10.213 1.031 296 HA LYS 40 HA LYS 40 9.897 -8.988 3.137 297 HB2 LYS 40 HB2 LYS 40 9.237 -11.389 3.105 298 HB3 LYS 40 HB3 LYS 40 10.392 -11.662 1.809 299 HG2 LYS 40 HG2 LYS 40 12.213 -10.976 3.306 300 HG3 LYS 40 HG3 LYS 40 11.040 -10.755 4.606 301 HD2 LYS 40 HD2 LYS 40 10.432 -13.140 4.416 302 HD3 LYS 40 HD3 LYS 40 11.674 -13.336 3.176 303 HE2 LYS 40 HE2 LYS 40 12.171 -12.422 6.010 304 HE3 LYS 40 HE3 LYS 40 12.426 -14.062 5.415 305 HZ1 LYS 40 HZ1 LYS 40 13.776 -11.742 4.169 306 HZ2 LYS 40 HZ2 LYS 40 14.425 -12.518 5.528 307 HZ3 LYS 40 HZ3 LYS 40 14.202 -13.381 4.084 308 H ARG 41 H ARG 41 10.786 -10.151 -0.086 309 HA ARG 41 HA ARG 41 13.491 -9.371 -0.017 310 HB2 ARG 41 HB2 ARG 41 12.502 -10.904 -1.695 311 HB3 ARG 41 HB3 ARG 41 11.641 -9.546 -2.404 312 HG2 ARG 41 HG2 ARG 41 13.746 -8.496 -3.004 313 HG3 ARG 41 HG3 ARG 41 14.635 -9.820 -2.247 314 HD2 ARG 41 HD2 ARG 41 13.556 -11.390 -3.820 315 HD3 ARG 41 HD3 ARG 41 12.773 -10.020 -4.607 316 HE ARG 41 HE ARG 41 15.279 -9.268 -4.852 317 HH11 ARG 41 HH11 ARG 41 13.914 -12.481 -5.234 318 HH12 ARG 41 HH12 ARG 41 15.108 -12.988 -6.390 319 HH21 ARG 41 HH21 ARG 41 16.830 -9.917 -6.412 320 HH22 ARG 41 HH22 ARG 41 16.758 -11.529 -7.072 321 H LEU 42 H LEU 42 10.544 -7.677 -0.917 322 HA LEU 42 HA LEU 42 11.658 -5.290 -1.867 323 HB2 LEU 42 HB2 LEU 42 9.269 -5.928 -2.032 324 HB3 LEU 42 HB3 LEU 42 9.101 -5.675 -0.306 325 HG LEU 42 HG LEU 42 9.774 -3.270 -0.703 326 HD11 LEU 42 HD11 LEU 42 10.822 -3.586 -2.885 327 HD12 LEU 42 HD12 LEU 42 9.264 -4.046 -3.570 328 HD13 LEU 42 HD13 LEU 42 9.513 -2.407 -2.966 329 HD21 LEU 42 HD21 LEU 42 7.550 -2.621 -1.473 330 HD22 LEU 42 HD22 LEU 42 7.257 -4.268 -2.030 331 HD23 LEU 42 HD23 LEU 42 7.462 -3.943 -0.308 332 H SER 43 H SER 43 10.866 -6.371 1.391 333 HA SER 43 HA SER 43 11.391 -3.936 2.719 334 HB2 SER 43 HB2 SER 43 11.523 -6.754 3.817 335 HB3 SER 43 HB3 SER 43 11.368 -5.274 4.764 336 HG SER 43 HG SER 43 9.493 -6.103 2.789 337 H LYS 44 H LYS 44 13.434 -6.555 1.679 338 HA LYS 44 HA LYS 44 15.682 -6.132 3.282 339 HB2 LYS 44 HB2 LYS 44 15.379 -8.109 1.871 340 HB3 LYS 44 HB3 LYS 44 15.522 -7.118 0.427 341 HG2 LYS 44 HG2 LYS 44 17.838 -6.566 1.085 342 HG3 LYS 44 HG3 LYS 44 17.678 -7.662 2.459 343 HD2 LYS 44 HD2 LYS 44 17.280 -9.528 0.943 344 HD3 LYS 44 HD3 LYS 44 17.377 -8.440 -0.444 345 HE2 LYS 44 HE2 LYS 44 19.704 -7.901 0.183 346 HE3 LYS 44 HE3 LYS 44 19.596 -9.061 1.506 347 HZ1 LYS 44 HZ1 LYS 44 20.682 -9.979 -0.464 348 HZ2 LYS 44 HZ2 LYS 44 19.262 -10.823 -0.084 349 HZ3 LYS 44 HZ3 LYS 44 19.274 -9.720 -1.372 350 H VAL 45 H VAL 45 14.769 -4.692 0.173 351 HA VAL 45 HA VAL 45 17.210 -3.079 0.198 352 HB VAL 45 HB VAL 45 15.149 -3.365 -1.993 353 HG11 VAL 45 HG11 VAL 45 16.875 -2.389 -3.432 354 HG12 VAL 45 HG12 VAL 45 16.408 -1.285 -2.137 355 HG13 VAL 45 HG13 VAL 45 17.923 -2.182 -2.029 356 HG21 VAL 45 HG21 VAL 45 16.236 -5.492 -1.559 357 HG22 VAL 45 HG22 VAL 45 16.801 -4.816 -3.088 358 HG23 VAL 45 HG23 VAL 45 17.821 -4.722 -1.651 359 H VAL 46 H VAL 46 13.688 -2.644 -0.136 360 HA VAL 46 HA VAL 46 13.945 0.202 -0.395 361 HB VAL 46 HB VAL 46 11.483 -1.513 -0.064 362 HG11 VAL 46 HG11 VAL 46 11.714 1.372 -0.915 363 HG12 VAL 46 HG12 VAL 46 10.234 0.413 -0.887 364 HG13 VAL 46 HG13 VAL 46 11.064 0.797 0.622 365 HG21 VAL 46 HG21 VAL 46 12.745 -0.308 -2.525 366 HG22 VAL 46 HG22 VAL 46 12.739 -2.018 -2.090 367 HG23 VAL 46 HG23 VAL 46 11.225 -1.201 -2.477 368 H PHE 47 H PHE 47 12.776 -1.972 2.163 369 HA PHE 47 HA PHE 47 11.812 0.183 3.781 370 HB2 PHE 47 HB2 PHE 47 12.163 -2.765 4.274 371 HB3 PHE 47 HB3 PHE 47 11.595 -1.672 5.529 372 HD1 PHE 47 HD1 PHE 47 10.824 -2.168 1.901 373 HD2 PHE 47 HD2 PHE 47 9.356 -1.816 5.878 374 HE1 PHE 47 HE1 PHE 47 8.526 -2.417 1.068 375 HE2 PHE 47 HE2 PHE 47 7.052 -2.060 5.053 376 HZ PHE 47 HZ PHE 47 6.633 -2.362 2.644 377 H LYS 48 H LYS 48 14.847 -0.351 3.078 378 HA LYS 48 HA LYS 48 15.850 -0.071 5.820 379 HB2 LYS 48 HB2 LYS 48 16.818 -1.815 4.282 380 HB3 LYS 48 HB3 LYS 48 17.463 -0.503 3.309 381 HG2 LYS 48 HG2 LYS 48 18.696 0.293 5.313 382 HG3 LYS 48 HG3 LYS 48 18.143 -1.149 6.166 383 HD2 LYS 48 HD2 LYS 48 19.232 -2.540 4.434 384 HD3 LYS 48 HD3 LYS 48 19.850 -1.068 3.682 385 HE2 LYS 48 HE2 LYS 48 20.999 -0.530 5.820 386 HE3 LYS 48 HE3 LYS 48 20.473 -2.092 6.448 387 HZ1 LYS 48 HZ1 LYS 48 21.666 -3.119 4.529 388 HZ2 LYS 48 HZ2 LYS 48 22.314 -1.589 4.173 389 HZ3 LYS 48 HZ3 LYS 48 22.675 -2.347 5.650 390 H ASP 49 H ASP 49 15.170 1.673 2.980 391 HA ASP 49 HA ASP 49 17.176 3.699 3.251 392 HB2 ASP 49 HB2 ASP 49 15.805 3.138 1.124 393 HB3 ASP 49 HB3 ASP 49 14.542 4.108 1.853 394 H SER 50 H SER 50 17.189 5.422 4.537 395 HA SER 50 HA SER 50 15.250 5.657 6.587 396 HB2 SER 50 HB2 SER 50 17.460 7.579 5.832 397 HB3 SER 50 HB3 SER 50 16.611 7.516 7.377 398 HG SER 50 HG SER 50 17.400 5.287 7.515 399 H LEU 51 H LEU 51 15.740 7.296 3.538 400 HA LEU 51 HA LEU 51 14.037 9.517 4.111 401 HB2 LEU 51 HB2 LEU 51 15.759 9.711 2.419 402 HB3 LEU 51 HB3 LEU 51 15.045 8.404 1.494 403 HG LEU 51 HG LEU 51 13.075 9.792 1.032 404 HD11 LEU 51 HD11 LEU 51 13.044 11.152 3.034 405 HD12 LEU 51 HD12 LEU 51 14.557 11.926 2.558 406 HD13 LEU 51 HD13 LEU 51 13.097 12.178 1.600 407 HD21 LEU 51 HD21 LEU 51 14.968 9.831 -0.515 408 HD22 LEU 51 HD22 LEU 51 14.139 11.387 -0.468 409 HD23 LEU 51 HD23 LEU 51 15.673 11.178 0.380 410 H VAL 52 H VAL 52 13.626 6.514 2.252 411 HA VAL 52 HA VAL 52 11.081 7.041 1.259 412 HB VAL 52 HB VAL 52 10.869 4.693 0.844 413 HG11 VAL 52 HG11 VAL 52 12.346 5.905 -0.623 414 HG12 VAL 52 HG12 VAL 52 13.702 5.595 0.466 415 HG13 VAL 52 HG13 VAL 52 12.935 4.258 -0.391 416 HG21 VAL 52 HG21 VAL 52 11.470 3.634 2.836 417 HG22 VAL 52 HG22 VAL 52 12.660 3.108 1.642 418 HG23 VAL 52 HG23 VAL 52 13.077 4.353 2.821 419 H ALA 53 H ALA 53 12.048 5.550 4.277 420 HA ALA 53 HA ALA 53 9.566 4.715 5.219 421 HB1 ALA 53 HB1 ALA 53 11.902 5.739 6.823 422 HB2 ALA 53 HB2 ALA 53 10.576 4.747 7.434 423 HB3 ALA 53 HB3 ALA 53 11.695 4.087 6.242 424 H ASP 54 H ASP 54 11.254 7.794 5.866 425 HA ASP 54 HA ASP 54 9.119 8.901 7.378 426 HB2 ASP 54 HB2 ASP 54 11.487 9.668 7.524 427 HB3 ASP 54 HB3 ASP 54 11.333 10.359 5.912 428 H TYR 55 H TYR 55 10.039 8.941 4.036 429 HA TYR 55 HA TYR 55 8.387 10.853 2.924 430 HB2 TYR 55 HB2 TYR 55 10.185 9.479 1.823 431 HB3 TYR 55 HB3 TYR 55 9.053 8.138 1.765 432 HD1 TYR 55 HD1 TYR 55 7.103 8.235 0.239 433 HD2 TYR 55 HD2 TYR 55 10.078 11.277 0.271 434 HE1 TYR 55 HE1 TYR 55 6.363 8.979 -1.985 435 HE2 TYR 55 HE2 TYR 55 9.338 12.030 -1.944 436 HH TYR 55 HH TYR 55 8.193 10.997 -3.932 437 H PHE 56 H PHE 56 7.688 7.361 3.254 438 HA PHE 56 HA PHE 56 4.976 7.733 2.422 439 HB2 PHE 56 HB2 PHE 56 6.547 5.363 3.382 440 HB3 PHE 56 HB3 PHE 56 4.813 5.264 3.108 441 HD1 PHE 56 HD1 PHE 56 3.953 5.923 0.787 442 HD2 PHE 56 HD2 PHE 56 8.030 5.057 1.633 443 HE1 PHE 56 HE1 PHE 56 4.347 5.480 -1.602 444 HE2 PHE 56 HE2 PHE 56 8.436 4.614 -0.752 445 HZ PHE 56 HZ PHE 56 6.594 4.826 -2.374 446 H ASN 57 H ASN 57 6.511 6.890 5.541 447 HA ASN 57 HA ASN 57 4.118 6.288 6.865 448 HB2 ASN 57 HB2 ASN 57 6.779 7.190 7.979 449 HB3 ASN 57 HB3 ASN 57 5.448 6.604 8.963 450 HD21 ASN 57 HD21 ASN 57 8.074 5.484 8.767 451 HD22 ASN 57 HD22 ASN 57 7.905 3.878 8.143 452 H ARG 58 H ARG 58 5.741 9.367 6.397 453 HA ARG 58 HA ARG 58 3.951 10.666 8.280 454 HB2 ARG 58 HB2 ARG 58 6.176 11.772 6.574 455 HB3 ARG 58 HB3 ARG 58 5.222 12.721 7.709 456 HG2 ARG 58 HG2 ARG 58 6.972 10.369 8.407 457 HG3 ARG 58 HG3 ARG 58 7.372 12.070 8.658 458 HD2 ARG 58 HD2 ARG 58 5.515 12.307 10.200 459 HD3 ARG 58 HD3 ARG 58 5.024 10.640 9.900 460 HE ARG 58 HE ARG 58 7.553 10.332 10.756 461 HH11 ARG 58 HH11 ARG 58 4.826 12.111 12.062 462 HH12 ARG 58 HH12 ARG 58 5.376 11.988 13.705 463 HH21 ARG 58 HH21 ARG 58 8.259 10.153 12.915 464 HH22 ARG 58 HH22 ARG 58 7.321 10.877 14.191 465 H HIS 59 H HIS 59 4.498 10.617 4.761 466 HA HIS 59 HA HIS 59 2.585 12.752 4.375 467 HB2 HIS 59 HB2 HIS 59 4.314 11.145 2.537 468 HB3 HIS 59 HB3 HIS 59 2.988 12.097 1.884 469 HD1 HIS 59 HD1 HIS 59 3.121 14.732 2.350 470 HD2 HIS 59 HD2 HIS 59 6.598 12.561 3.077 471 HE1 HIS 59 HE1 HIS 59 4.978 16.423 2.409 472 HE2 HIS 59 HE2 HIS 59 7.087 15.066 2.601 473 H PHE 60 H PHE 60 2.504 9.257 4.213 474 HA PHE 60 HA PHE 60 -0.206 9.446 3.058 475 HB2 PHE 60 HB2 PHE 60 1.807 7.234 2.590 476 HB3 PHE 60 HB3 PHE 60 0.184 7.319 1.914 477 HD1 PHE 60 HD1 PHE 60 -0.331 9.427 0.477 478 HD2 PHE 60 HD2 PHE 60 3.584 8.039 1.371 479 HE1 PHE 60 HE1 PHE 60 0.543 10.658 -1.467 480 HE2 PHE 60 HE2 PHE 60 4.470 9.268 -0.566 481 HZ PHE 60 HZ PHE 60 2.950 10.578 -1.989 482 H VAL 61 H VAL 61 -1.592 7.566 3.544 483 HA VAL 61 HA VAL 61 -1.195 6.621 6.289 484 HB VAL 61 HB VAL 61 -3.593 6.274 4.466 485 HG11 VAL 61 HG11 VAL 61 -4.788 5.645 6.510 486 HG12 VAL 61 HG12 VAL 61 -3.445 4.549 6.182 487 HG13 VAL 61 HG13 VAL 61 -3.291 5.786 7.430 488 HG21 VAL 61 HG21 VAL 61 -3.239 8.623 4.978 489 HG22 VAL 61 HG22 VAL 61 -4.657 8.013 5.833 490 HG23 VAL 61 HG23 VAL 61 -3.139 8.250 6.699 491 H ASN 62 H ASN 62 -0.054 4.790 6.457 492 HA ASN 62 HA ASN 62 -0.002 2.932 4.206 493 HB2 ASN 62 HB2 ASN 62 1.669 3.006 6.729 494 HB3 ASN 62 HB3 ASN 62 1.896 1.885 5.390 495 HD21 ASN 62 HD21 ASN 62 2.192 5.180 6.453 496 HD22 ASN 62 HD22 ASN 62 3.197 5.718 5.152 497 H LEU 63 H LEU 63 -1.459 1.398 4.170 498 HA LEU 63 HA LEU 63 -2.470 0.325 6.718 499 HB2 LEU 63 HB2 LEU 63 -4.191 1.402 5.437 500 HB3 LEU 63 HB3 LEU 63 -3.725 0.538 3.985 501 HG LEU 63 HG LEU 63 -4.435 -1.583 5.101 502 HD11 LEU 63 HD11 LEU 63 -4.266 -0.880 7.416 503 HD12 LEU 63 HD12 LEU 63 -5.547 0.307 7.166 504 HD13 LEU 63 HD13 LEU 63 -5.908 -1.414 7.053 505 HD21 LEU 63 HD21 LEU 63 -6.524 0.563 4.792 506 HD22 LEU 63 HD22 LEU 63 -5.860 -0.441 3.502 507 HD23 LEU 63 HD23 LEU 63 -6.822 -1.176 4.786 508 H LYS 64 H LYS 64 -2.334 -1.801 7.137 509 HA LYS 64 HA LYS 64 -1.307 -3.575 5.019 510 HB2 LYS 64 HB2 LYS 64 0.297 -3.382 6.817 511 HB3 LYS 64 HB3 LYS 64 -0.948 -3.686 8.020 512 HG2 LYS 64 HG2 LYS 64 -1.178 -5.969 7.254 513 HG3 LYS 64 HG3 LYS 64 -0.009 -5.677 5.965 514 HD2 LYS 64 HD2 LYS 64 1.748 -5.314 7.562 515 HD3 LYS 64 HD3 LYS 64 0.605 -5.383 8.903 516 HE2 LYS 64 HE2 LYS 64 1.205 -7.666 7.024 517 HE3 LYS 64 HE3 LYS 64 1.919 -7.464 8.624 518 HZ1 LYS 64 HZ1 LYS 64 -0.323 -7.565 9.573 519 HZ2 LYS 64 HZ2 LYS 64 -0.972 -7.843 8.026 520 HZ3 LYS 64 HZ3 LYS 64 0.070 -8.982 8.731 521 H MET 65 H MET 65 -2.737 -5.043 4.299 522 HA MET 65 HA MET 65 -4.685 -6.141 6.207 523 HB2 MET 65 HB2 MET 65 -5.314 -5.062 3.458 524 HB3 MET 65 HB3 MET 65 -6.397 -6.125 4.344 525 HG2 MET 65 HG2 MET 65 -6.475 -4.449 6.164 526 HG3 MET 65 HG3 MET 65 -5.490 -3.379 5.169 527 HE1 MET 65 HE1 MET 65 -9.760 -4.742 4.055 528 HE2 MET 65 HE2 MET 65 -8.362 -5.811 3.959 529 HE3 MET 65 HE3 MET 65 -8.922 -5.231 5.527 530 H ASP 66 H ASP 66 -5.572 -8.224 5.540 531 HA ASP 66 HA ASP 66 -3.638 -9.687 3.898 532 HB2 ASP 66 HB2 ASP 66 -5.395 -11.565 4.978 533 HB3 ASP 66 HB3 ASP 66 -3.744 -11.235 5.475 534 H MET 67 H MET 67 -4.458 -11.402 2.517 535 HA MET 67 HA MET 67 -6.382 -10.061 0.793 536 HB2 MET 67 HB2 MET 67 -3.913 -10.905 0.295 537 HB3 MET 67 HB3 MET 67 -4.773 -12.386 -0.111 538 HG2 MET 67 HG2 MET 67 -4.419 -11.004 -2.082 539 HG3 MET 67 HG3 MET 67 -6.136 -11.195 -1.723 540 HE1 MET 67 HE1 MET 67 -5.125 -8.977 -3.713 541 HE2 MET 67 HE2 MET 67 -6.812 -9.205 -3.251 542 HE3 MET 67 HE3 MET 67 -6.085 -7.599 -3.175 543 H GLU 68 H GLU 68 -6.125 -12.963 2.659 544 HA GLU 68 HA GLU 68 -8.490 -13.974 1.243 545 HB2 GLU 68 HB2 GLU 68 -6.522 -15.487 1.088 546 HB3 GLU 68 HB3 GLU 68 -6.531 -15.630 2.843 547 HG2 GLU 68 HG2 GLU 68 -8.504 -16.840 2.863 548 HG3 GLU 68 HG3 GLU 68 -8.980 -16.289 1.260 549 H LYS 69 H LYS 69 -10.003 -13.004 2.315 550 HA LYS 69 HA LYS 69 -10.779 -13.914 4.903 551 HB2 LYS 69 HB2 LYS 69 -9.201 -12.215 5.633 552 HB3 LYS 69 HB3 LYS 69 -9.850 -11.055 4.484 553 HG2 LYS 69 HG2 LYS 69 -11.982 -11.080 5.736 554 HG3 LYS 69 HG3 LYS 69 -11.228 -12.139 6.929 555 HD2 LYS 69 HD2 LYS 69 -10.046 -9.478 6.192 556 HD3 LYS 69 HD3 LYS 69 -11.290 -9.633 7.433 557 HE2 LYS 69 HE2 LYS 69 -8.672 -11.127 7.453 558 HE3 LYS 69 HE3 LYS 69 -8.966 -9.619 8.321 559 HZ1 LYS 69 HZ1 LYS 69 -9.281 -11.429 9.825 560 HZ2 LYS 69 HZ2 LYS 69 -10.808 -10.770 9.487 561 HZ3 LYS 69 HZ3 LYS 69 -10.328 -12.223 8.758 562 H GLY 70 H GLY 70 -12.993 -13.015 5.385 563 HA2 GLY 70 HA2 GLY 70 -14.702 -13.047 3.194 564 HA3 GLY 70 HA3 GLY 70 -15.107 -12.360 4.760 565 H GLU 71 H GLU 71 -13.267 -10.271 4.839 566 HA GLU 71 HA GLU 71 -14.500 -8.375 3.073 567 HB2 GLU 71 HB2 GLU 71 -12.250 -8.019 5.063 568 HB3 GLU 71 HB3 GLU 71 -13.079 -6.714 4.229 569 HG2 GLU 71 HG2 GLU 71 -14.181 -6.681 6.218 570 HG3 GLU 71 HG3 GLU 71 -15.209 -7.794 5.323 571 H GLY 72 H GLY 72 -11.354 -9.949 3.331 572 HA2 GLY 72 HA2 GLY 72 -9.940 -8.352 1.512 573 HA3 GLY 72 HA3 GLY 72 -9.546 -10.010 1.928 574 H VAL 73 H VAL 73 -11.827 -11.309 0.989 575 HA VAL 73 HA VAL 73 -11.172 -11.535 -1.762 576 HB VAL 73 HB VAL 73 -12.038 -13.428 -0.397 577 HG11 VAL 73 HG11 VAL 73 -14.450 -13.655 -0.034 578 HG12 VAL 73 HG12 VAL 73 -13.784 -12.272 0.837 579 HG13 VAL 73 HG13 VAL 73 -14.692 -12.021 -0.654 580 HG21 VAL 73 HG21 VAL 73 -13.462 -14.387 -2.154 581 HG22 VAL 73 HG22 VAL 73 -13.608 -12.789 -2.888 582 HG23 VAL 73 HG23 VAL 73 -12.035 -13.585 -2.810 583 H GLU 74 H GLU 74 -13.583 -9.728 -0.010 584 HA GLU 74 HA GLU 74 -15.244 -9.087 -2.228 585 HB2 GLU 74 HB2 GLU 74 -15.942 -8.850 0.153 586 HB3 GLU 74 HB3 GLU 74 -14.807 -7.518 0.324 587 HG2 GLU 74 HG2 GLU 74 -16.030 -6.250 -1.362 588 HG3 GLU 74 HG3 GLU 74 -17.173 -7.581 -1.536 589 H LEU 75 H LEU 75 -12.561 -7.434 -0.613 590 HA LEU 75 HA LEU 75 -12.529 -5.185 -2.329 591 HB2 LEU 75 HB2 LEU 75 -10.305 -6.365 -0.666 592 HB3 LEU 75 HB3 LEU 75 -10.282 -4.774 -1.403 593 HG LEU 75 HG LEU 75 -12.144 -5.698 0.783 594 HD11 LEU 75 HD11 LEU 75 -9.895 -3.689 0.790 595 HD12 LEU 75 HD12 LEU 75 -10.965 -4.054 2.145 596 HD13 LEU 75 HD13 LEU 75 -9.862 -5.287 1.536 597 HD21 LEU 75 HD21 LEU 75 -12.946 -3.390 0.825 598 HD22 LEU 75 HD22 LEU 75 -11.945 -3.013 -0.579 599 HD23 LEU 75 HD23 LEU 75 -13.279 -4.158 -0.728 600 H ARG 76 H ARG 76 -10.985 -8.330 -2.442 601 HA ARG 76 HA ARG 76 -9.150 -7.837 -4.498 602 HB2 ARG 76 HB2 ARG 76 -9.402 -9.901 -2.985 603 HB3 ARG 76 HB3 ARG 76 -10.597 -10.453 -4.150 604 HG2 ARG 76 HG2 ARG 76 -8.986 -10.562 -5.883 605 HG3 ARG 76 HG3 ARG 76 -7.783 -9.720 -4.905 606 HD2 ARG 76 HD2 ARG 76 -7.994 -11.676 -3.277 607 HD3 ARG 76 HD3 ARG 76 -8.843 -12.512 -4.578 608 HE ARG 76 HE ARG 76 -6.362 -11.447 -5.471 609 HH11 ARG 76 HH11 ARG 76 -7.702 -14.057 -3.563 610 HH12 ARG 76 HH12 ARG 76 -6.421 -15.174 -3.955 611 HH21 ARG 76 HH21 ARG 76 -4.647 -12.874 -5.925 612 HH22 ARG 76 HH22 ARG 76 -4.655 -14.484 -5.272 613 H LYS 77 H LYS 77 -12.550 -8.753 -4.580 614 HA LYS 77 HA LYS 77 -12.703 -8.893 -7.444 615 HB2 LYS 77 HB2 LYS 77 -14.243 -10.165 -6.041 616 HB3 LYS 77 HB3 LYS 77 -14.846 -8.683 -5.316 617 HG2 LYS 77 HG2 LYS 77 -16.424 -9.529 -6.936 618 HG3 LYS 77 HG3 LYS 77 -15.746 -7.998 -7.494 619 HD2 LYS 77 HD2 LYS 77 -14.216 -9.198 -8.960 620 HD3 LYS 77 HD3 LYS 77 -14.851 -10.740 -8.380 621 HE2 LYS 77 HE2 LYS 77 -15.826 -10.149 -10.535 622 HE3 LYS 77 HE3 LYS 77 -17.052 -10.174 -9.270 623 HZ1 LYS 77 HZ1 LYS 77 -17.203 -8.259 -10.822 624 HZ2 LYS 77 HZ2 LYS 77 -17.066 -7.811 -9.193 625 HZ3 LYS 77 HZ3 LYS 77 -15.724 -7.696 -10.220 626 H LYS 78 H LYS 78 -13.247 -6.488 -4.981 627 HA LYS 78 HA LYS 78 -14.771 -4.646 -6.451 628 HB2 LYS 78 HB2 LYS 78 -14.563 -4.698 -3.987 629 HB3 LYS 78 HB3 LYS 78 -12.906 -4.139 -4.126 630 HG2 LYS 78 HG2 LYS 78 -13.630 -2.019 -4.984 631 HG3 LYS 78 HG3 LYS 78 -15.300 -2.583 -5.075 632 HD2 LYS 78 HD2 LYS 78 -15.274 -2.918 -2.617 633 HD3 LYS 78 HD3 LYS 78 -13.653 -2.229 -2.574 634 HE2 LYS 78 HE2 LYS 78 -16.085 -0.783 -3.610 635 HE3 LYS 78 HE3 LYS 78 -15.470 -0.636 -1.967 636 HZ1 LYS 78 HZ1 LYS 78 -13.341 0.137 -2.953 637 HZ2 LYS 78 HZ2 LYS 78 -14.097 0.168 -4.473 638 HZ3 LYS 78 HZ3 LYS 78 -14.648 1.179 -3.225 639 H TYR 79 H TYR 79 -11.280 -5.017 -6.091 640 HA TYR 79 HA TYR 79 -10.916 -2.704 -7.876 641 HB2 TYR 79 HB2 TYR 79 -8.907 -3.954 -5.987 642 HB3 TYR 79 HB3 TYR 79 -8.670 -2.493 -6.943 643 HD1 TYR 79 HD1 TYR 79 -9.970 -0.439 -6.394 644 HD2 TYR 79 HD2 TYR 79 -10.105 -3.898 -3.930 645 HE1 TYR 79 HE1 TYR 79 -10.933 0.902 -4.570 646 HE2 TYR 79 HE2 TYR 79 -11.061 -2.572 -2.101 647 HH TYR 79 HH TYR 79 -11.178 -0.260 -1.363 648 H GLY 80 H GLY 80 -10.837 -6.052 -7.831 649 HA2 GLY 80 HA2 GLY 80 -10.250 -7.563 -9.466 650 HA3 GLY 80 HA3 GLY 80 -9.842 -6.200 -10.495 651 H VAL 81 H VAL 81 -8.388 -6.624 -7.369 652 HA VAL 81 HA VAL 81 -5.803 -6.716 -8.648 653 HB VAL 81 HB VAL 81 -4.936 -6.470 -6.307 654 HG11 VAL 81 HG11 VAL 81 -5.619 -4.112 -6.116 655 HG12 VAL 81 HG12 VAL 81 -5.192 -4.555 -7.769 656 HG13 VAL 81 HG13 VAL 81 -6.887 -4.404 -7.307 657 HG21 VAL 81 HG21 VAL 81 -7.856 -6.110 -5.656 658 HG22 VAL 81 HG22 VAL 81 -6.820 -7.423 -5.095 659 HG23 VAL 81 HG23 VAL 81 -6.510 -5.768 -4.569 660 H HIS 82 H HIS 82 -5.244 -8.657 -9.348 661 HA HIS 82 HA HIS 82 -5.381 -10.888 -7.443 662 HB2 HIS 82 HB2 HIS 82 -5.493 -12.320 -9.656 663 HB3 HIS 82 HB3 HIS 82 -6.951 -11.663 -8.928 664 HD1 HIS 82 HD1 HIS 82 -8.427 -10.398 -10.446 665 HD2 HIS 82 HD2 HIS 82 -4.530 -10.597 -11.882 666 HE1 HIS 82 HE1 HIS 82 -8.485 -9.328 -12.724 667 HE2 HIS 82 HE2 HIS 82 -6.073 -9.246 -13.455 668 H ALA 83 H ALA 83 -3.301 -10.175 -6.852 669 HA ALA 83 HA ALA 83 -1.209 -11.381 -8.497 670 HB1 ALA 83 HB1 ALA 83 0.274 -9.463 -8.195 671 HB2 ALA 83 HB2 ALA 83 -1.185 -8.990 -9.068 672 HB3 ALA 83 HB3 ALA 83 -1.010 -8.590 -7.358 673 H TYR 84 H TYR 84 0.956 -10.674 -6.843 674 HA TYR 84 HA TYR 84 0.090 -11.870 -4.300 675 HB2 TYR 84 HB2 TYR 84 2.858 -11.855 -5.499 676 HB3 TYR 84 HB3 TYR 84 2.378 -12.652 -4.002 677 HD1 TYR 84 HD1 TYR 84 -0.077 -13.980 -4.575 678 HD2 TYR 84 HD2 TYR 84 3.284 -13.464 -7.138 679 HE1 TYR 84 HE1 TYR 84 -0.752 -15.971 -5.850 680 HE2 TYR 84 HE2 TYR 84 2.607 -15.449 -8.426 681 HH TYR 84 HH TYR 84 -0.448 -16.905 -8.106 682 HA PRO 85 HA PRO 85 2.255 -7.986 -2.911 683 HB2 PRO 85 HB2 PRO 85 4.123 -6.761 -4.559 684 HB3 PRO 85 HB3 PRO 85 4.504 -7.945 -3.308 685 HG2 PRO 85 HG2 PRO 85 4.765 -8.250 -6.130 686 HG3 PRO 85 HG3 PRO 85 5.063 -9.465 -4.878 687 HD2 PRO 85 HD2 PRO 85 2.676 -9.068 -6.598 688 HD3 PRO 85 HD3 PRO 85 3.287 -10.552 -5.832 689 H THR 86 H THR 86 0.425 -6.705 -3.073 690 HA THR 86 HA THR 86 0.002 -5.322 -5.647 691 HB THR 86 HB THR 86 -2.140 -6.118 -3.669 692 HG1 THR 86 HG1 THR 86 -0.817 -7.557 -5.555 693 HG21 THR 86 HG21 THR 86 -3.669 -5.589 -5.499 694 HG22 THR 86 HG22 THR 86 -2.683 -4.182 -5.094 695 HG23 THR 86 HG23 THR 86 -2.305 -5.142 -6.524 696 H LEU 87 H LEU 87 0.187 -3.201 -5.583 697 HA LEU 87 HA LEU 87 -0.078 -1.812 -3.008 698 HB2 LEU 87 HB2 LEU 87 1.319 -1.037 -5.570 699 HB3 LEU 87 HB3 LEU 87 1.057 0.084 -4.249 700 HG LEU 87 HG LEU 87 2.379 -1.498 -2.781 701 HD11 LEU 87 HD11 LEU 87 2.201 -3.502 -4.172 702 HD12 LEU 87 HD12 LEU 87 3.146 -2.708 -5.434 703 HD13 LEU 87 HD13 LEU 87 3.882 -3.065 -3.872 704 HD21 LEU 87 HD21 LEU 87 3.306 0.571 -3.668 705 HD22 LEU 87 HD22 LEU 87 4.529 -0.701 -3.615 706 HD23 LEU 87 HD23 LEU 87 3.776 -0.265 -5.149 707 H LEU 88 H LEU 88 -2.012 -0.961 -2.693 708 HA LEU 88 HA LEU 88 -3.549 -0.076 -5.045 709 HB2 LEU 88 HB2 LEU 88 -4.503 -1.951 -3.737 710 HB3 LEU 88 HB3 LEU 88 -4.555 -0.915 -2.326 711 HG LEU 88 HG LEU 88 -6.169 0.550 -3.447 712 HD11 LEU 88 HD11 LEU 88 -5.455 0.195 -5.753 713 HD12 LEU 88 HD12 LEU 88 -6.049 -1.464 -5.689 714 HD13 LEU 88 HD13 LEU 88 -7.181 -0.118 -5.563 715 HD21 LEU 88 HD21 LEU 88 -6.992 -1.261 -2.073 716 HD22 LEU 88 HD22 LEU 88 -8.056 -1.020 -3.458 717 HD23 LEU 88 HD23 LEU 88 -6.918 -2.367 -3.444 718 H PHE 89 H PHE 89 -3.886 2.012 -5.276 719 HA PHE 89 HA PHE 89 -3.395 3.790 -2.989 720 HB2 PHE 89 HB2 PHE 89 -3.452 4.449 -5.944 721 HB3 PHE 89 HB3 PHE 89 -3.004 5.547 -4.643 722 HD1 PHE 89 HD1 PHE 89 -0.873 5.314 -3.500 723 HD2 PHE 89 HD2 PHE 89 -1.953 2.737 -6.706 724 HE1 PHE 89 HE1 PHE 89 1.471 4.599 -3.709 725 HE2 PHE 89 HE2 PHE 89 0.388 2.017 -6.922 726 HZ PHE 89 HZ PHE 89 2.105 2.948 -5.423 727 H ILE 90 H ILE 90 -5.140 4.515 -1.994 728 HA ILE 90 HA ILE 90 -7.617 4.923 -3.556 729 HB ILE 90 HB ILE 90 -7.409 3.934 -0.698 730 HG12 ILE 90 HG12 ILE 90 -8.220 2.468 -3.220 731 HG13 ILE 90 HG13 ILE 90 -6.726 2.224 -2.322 732 HG21 ILE 90 HG21 ILE 90 -9.828 3.585 -0.854 733 HG22 ILE 90 HG22 ILE 90 -9.401 5.283 -1.065 734 HG23 ILE 90 HG23 ILE 90 -9.827 4.300 -2.466 735 HD11 ILE 90 HD11 ILE 90 -8.013 1.443 -0.400 736 HD12 ILE 90 HD12 ILE 90 -9.504 1.678 -1.312 737 HD13 ILE 90 HD13 ILE 90 -8.328 0.476 -1.841 738 H ASN 91 H ASN 91 -8.806 6.775 -3.085 739 HA ASN 91 HA ASN 91 -7.519 8.883 -1.630 740 HB2 ASN 91 HB2 ASN 91 -10.224 8.638 -2.928 741 HB3 ASN 91 HB3 ASN 91 -9.776 10.054 -1.990 742 HD21 ASN 91 HD21 ASN 91 -10.385 9.753 -4.852 743 HD22 ASN 91 HD22 ASN 91 -9.002 10.365 -5.688 744 H SER 92 H SER 92 -8.895 10.123 0.046 745 HA SER 92 HA SER 92 -8.931 8.369 2.272 746 HB2 SER 92 HB2 SER 92 -9.540 10.413 3.555 747 HB3 SER 92 HB3 SER 92 -8.130 10.636 2.518 748 HG SER 92 HG SER 92 -10.684 11.732 2.351 749 H SER 93 H SER 93 -11.469 9.906 0.361 750 HA SER 93 HA SER 93 -13.553 9.088 2.173 751 HB2 SER 93 HB2 SER 93 -13.605 11.154 0.696 752 HB3 SER 93 HB3 SER 93 -13.880 10.070 -0.665 753 HG SER 93 HG SER 93 -15.543 10.661 1.525 754 H GLY 94 H GLY 94 -11.724 7.507 -0.127 755 HA2 GLY 94 HA2 GLY 94 -11.964 5.158 -0.480 756 HA3 GLY 94 HA3 GLY 94 -13.699 5.338 -0.267 757 H GLU 95 H GLU 95 -11.073 6.365 -2.433 758 HA GLU 95 HA GLU 95 -12.796 5.702 -4.707 759 HB2 GLU 95 HB2 GLU 95 -11.320 8.302 -4.311 760 HB3 GLU 95 HB3 GLU 95 -11.845 7.746 -5.892 761 HG2 GLU 95 HG2 GLU 95 -14.165 7.726 -5.096 762 HG3 GLU 95 HG3 GLU 95 -13.613 8.328 -3.533 763 H VAL 96 H VAL 96 -11.707 4.944 -6.516 764 HA VAL 96 HA VAL 96 -9.109 3.838 -5.963 765 HB VAL 96 HB VAL 96 -10.703 3.722 -8.531 766 HG11 VAL 96 HG11 VAL 96 -8.334 3.224 -8.846 767 HG12 VAL 96 HG12 VAL 96 -8.408 2.023 -7.555 768 HG13 VAL 96 HG13 VAL 96 -9.318 1.774 -9.045 769 HG21 VAL 96 HG21 VAL 96 -11.392 1.490 -7.765 770 HG22 VAL 96 HG22 VAL 96 -10.590 1.787 -6.222 771 HG23 VAL 96 HG23 VAL 96 -11.975 2.771 -6.700 772 H VAL 97 H VAL 97 -7.320 4.987 -6.190 773 HA VAL 97 HA VAL 97 -7.232 7.199 -8.090 774 HB VAL 97 HB VAL 97 -5.077 6.317 -6.162 775 HG11 VAL 97 HG11 VAL 97 -5.499 8.886 -7.688 776 HG12 VAL 97 HG12 VAL 97 -4.256 8.629 -6.466 777 HG13 VAL 97 HG13 VAL 97 -4.228 7.692 -7.960 778 HG21 VAL 97 HG21 VAL 97 -7.211 8.414 -5.790 779 HG22 VAL 97 HG22 VAL 97 -7.107 6.872 -4.939 780 HG23 VAL 97 HG23 VAL 97 -5.868 8.103 -4.690 781 H TYR 98 H TYR 98 -5.128 4.454 -7.225 782 HA TYR 98 HA TYR 98 -4.499 4.061 -10.042 783 HB2 TYR 98 HB2 TYR 98 -2.872 5.747 -9.120 784 HB3 TYR 98 HB3 TYR 98 -2.314 4.515 -7.997 785 HD1 TYR 98 HD1 TYR 98 -2.818 5.028 -11.662 786 HD2 TYR 98 HD2 TYR 98 -0.466 3.245 -8.596 787 HE1 TYR 98 HE1 TYR 98 -1.211 4.254 -13.352 788 HE2 TYR 98 HE2 TYR 98 1.146 2.463 -10.282 789 HH TYR 98 HH TYR 98 1.096 3.591 -13.517 790 H ARG 99 H ARG 99 -4.032 1.998 -10.530 791 HA ARG 99 HA ARG 99 -4.019 0.064 -8.305 792 HB2 ARG 99 HB2 ARG 99 -5.988 -0.221 -9.605 793 HB3 ARG 99 HB3 ARG 99 -5.110 -0.042 -11.114 794 HG2 ARG 99 HG2 ARG 99 -4.093 -2.211 -10.823 795 HG3 ARG 99 HG3 ARG 99 -4.863 -2.386 -9.240 796 HD2 ARG 99 HD2 ARG 99 -7.021 -2.482 -10.189 797 HD3 ARG 99 HD3 ARG 99 -6.446 -1.895 -11.747 798 HE ARG 99 HE ARG 99 -5.280 -4.405 -10.974 799 HH11 ARG 99 HH11 ARG 99 -8.067 -2.885 -12.461 800 HH12 ARG 99 HH12 ARG 99 -8.471 -4.272 -13.424 801 HH21 ARG 99 HH21 ARG 99 -5.790 -6.215 -12.260 802 HH22 ARG 99 HH22 ARG 99 -7.191 -6.185 -13.285 803 H LEU 100 H LEU 100 -2.068 -0.792 -7.947 804 HA LEU 100 HA LEU 100 -0.205 -0.993 -10.221 805 HB2 LEU 100 HB2 LEU 100 0.382 0.804 -8.634 806 HB3 LEU 100 HB3 LEU 100 0.455 -0.383 -7.338 807 HG LEU 100 HG LEU 100 2.331 -1.502 -8.501 808 HD11 LEU 100 HD11 LEU 100 1.784 -0.844 -10.784 809 HD12 LEU 100 HD12 LEU 100 2.150 0.836 -10.393 810 HD13 LEU 100 HD13 LEU 100 3.432 -0.375 -10.364 811 HD21 LEU 100 HD21 LEU 100 4.005 0.240 -8.055 812 HD22 LEU 100 HD22 LEU 100 2.719 1.442 -7.966 813 HD23 LEU 100 HD23 LEU 100 2.797 0.144 -6.774 814 H VAL 101 H VAL 101 0.580 -2.924 -10.635 815 HA VAL 101 HA VAL 101 0.261 -5.050 -8.626 816 HB VAL 101 HB VAL 101 0.500 -5.273 -11.635 817 HG11 VAL 101 HG11 VAL 101 -0.004 -7.650 -11.309 818 HG12 VAL 101 HG12 VAL 101 1.510 -7.191 -10.527 819 HG13 VAL 101 HG13 VAL 101 0.052 -7.417 -9.561 820 HG21 VAL 101 HG21 VAL 101 -1.833 -6.039 -11.531 821 HG22 VAL 101 HG22 VAL 101 -1.856 -5.691 -9.801 822 HG23 VAL 101 HG23 VAL 101 -1.648 -4.380 -10.962 823 H GLY 102 H GLY 102 2.079 -5.575 -7.622 824 HA2 GLY 102 HA2 GLY 102 4.248 -6.545 -7.632 825 HA3 GLY 102 HA3 GLY 102 4.559 -5.763 -9.175 826 H ALA 103 H ALA 103 6.288 -5.689 -6.928 827 HA ALA 103 HA ALA 103 6.217 -2.807 -6.338 828 HB1 ALA 103 HB1 ALA 103 7.131 -5.003 -4.479 829 HB2 ALA 103 HB2 ALA 103 7.207 -3.272 -4.151 830 HB3 ALA 103 HB3 ALA 103 5.643 -4.068 -4.326 831 H GLU 104 H GLU 104 8.189 -1.736 -6.435 832 HA GLU 104 HA GLU 104 10.379 -3.305 -7.613 833 HB2 GLU 104 HB2 GLU 104 9.527 -0.520 -8.437 834 HB3 GLU 104 HB3 GLU 104 10.799 -1.491 -9.173 835 HG2 GLU 104 HG2 GLU 104 9.180 -3.112 -9.940 836 HG3 GLU 104 HG3 GLU 104 7.882 -2.249 -9.121 837 H ASP 105 H ASP 105 12.385 -1.658 -7.770 838 HA ASP 105 HA ASP 105 13.322 -1.381 -5.144 839 HB2 ASP 105 HB2 ASP 105 14.328 -0.184 -7.732 840 HB3 ASP 105 HB3 ASP 105 15.200 -0.082 -6.206 841 H ALA 106 H ALA 106 14.030 0.600 -4.052 842 HA ALA 106 HA ALA 106 11.864 2.152 -3.422 843 HB1 ALA 106 HB1 ALA 106 13.805 1.863 -1.971 844 HB2 ALA 106 HB2 ALA 106 14.738 2.942 -3.004 845 HB3 ALA 106 HB3 ALA 106 13.341 3.558 -2.127 846 HA PRO 107 HA PRO 107 13.495 5.969 -5.946 847 HB2 PRO 107 HB2 PRO 107 15.144 4.711 -8.052 848 HB3 PRO 107 HB3 PRO 107 15.446 6.174 -7.113 849 HG2 PRO 107 HG2 PRO 107 16.838 3.940 -6.666 850 HG3 PRO 107 HG3 PRO 107 16.355 5.006 -5.333 851 HD2 PRO 107 HD2 PRO 107 15.136 2.416 -6.228 852 HD3 PRO 107 HD3 PRO 107 15.447 3.004 -4.583 853 H GLU 108 H GLU 108 13.152 2.900 -7.613 854 HA GLU 108 HA GLU 108 11.812 3.954 -9.898 855 HB2 GLU 108 HB2 GLU 108 13.177 1.908 -9.939 856 HB3 GLU 108 HB3 GLU 108 12.043 1.127 -8.851 857 HG2 GLU 108 HG2 GLU 108 10.359 1.069 -10.507 858 HG3 GLU 108 HG3 GLU 108 11.270 2.149 -11.565 859 H LEU 109 H LEU 109 10.835 2.336 -6.921 860 HA LEU 109 HA LEU 109 8.074 2.142 -7.483 861 HB2 LEU 109 HB2 LEU 109 9.353 0.945 -5.670 862 HB3 LEU 109 HB3 LEU 109 9.364 2.445 -4.774 863 HG LEU 109 HG LEU 109 6.900 2.410 -4.695 864 HD11 LEU 109 HD11 LEU 109 7.202 -0.268 -6.043 865 HD12 LEU 109 HD12 LEU 109 5.708 0.363 -5.345 866 HD13 LEU 109 HD13 LEU 109 6.450 1.173 -6.726 867 HD21 LEU 109 HD21 LEU 109 8.161 1.472 -2.848 868 HD22 LEU 109 HD22 LEU 109 6.692 0.533 -3.121 869 HD23 LEU 109 HD23 LEU 109 8.249 -0.085 -3.673 870 H LEU 110 H LEU 110 9.948 4.505 -5.620 871 HA LEU 110 HA LEU 110 7.938 6.280 -4.932 872 HB2 LEU 110 HB2 LEU 110 10.786 6.878 -5.730 873 HB3 LEU 110 HB3 LEU 110 9.710 8.050 -4.999 874 HG LEU 110 HG LEU 110 10.588 5.478 -3.685 875 HD11 LEU 110 HD11 LEU 110 12.466 6.998 -3.949 876 HD12 LEU 110 HD12 LEU 110 11.521 8.312 -3.250 877 HD13 LEU 110 HD13 LEU 110 11.964 6.921 -2.260 878 HD21 LEU 110 HD21 LEU 110 9.071 7.859 -2.631 879 HD22 LEU 110 HD22 LEU 110 8.418 6.245 -2.916 880 HD23 LEU 110 HD23 LEU 110 9.641 6.495 -1.668 881 H LYS 111 H LYS 111 9.724 6.015 -7.950 882 HA LYS 111 HA LYS 111 8.659 8.315 -9.198 883 HB2 LYS 111 HB2 LYS 111 10.716 7.012 -9.879 884 HB3 LYS 111 HB3 LYS 111 9.638 5.809 -10.569 885 HG2 LYS 111 HG2 LYS 111 8.731 7.482 -12.090 886 HG3 LYS 111 HG3 LYS 111 9.801 8.698 -11.389 887 HD2 LYS 111 HD2 LYS 111 11.738 7.282 -12.053 888 HD3 LYS 111 HD3 LYS 111 10.610 6.213 -12.888 889 HE2 LYS 111 HE2 LYS 111 9.891 8.092 -14.297 890 HE3 LYS 111 HE3 LYS 111 11.049 9.139 -13.476 891 HZ1 LYS 111 HZ1 LYS 111 11.679 6.760 -15.136 892 HZ2 LYS 111 HZ2 LYS 111 11.981 8.380 -15.532 893 HZ3 LYS 111 HZ3 LYS 111 12.827 7.648 -14.256 894 H LYS 112 H LYS 112 7.679 4.914 -9.173 895 HA LYS 112 HA LYS 112 5.574 5.159 -11.045 896 HB2 LYS 112 HB2 LYS 112 6.041 3.156 -8.835 897 HB3 LYS 112 HB3 LYS 112 4.759 3.005 -10.028 898 HG2 LYS 112 HG2 LYS 112 7.715 3.074 -10.604 899 HG3 LYS 112 HG3 LYS 112 6.679 1.644 -10.622 900 HD2 LYS 112 HD2 LYS 112 5.403 2.536 -12.468 901 HD3 LYS 112 HD3 LYS 112 6.300 4.054 -12.398 902 HE2 LYS 112 HE2 LYS 112 7.121 2.664 -14.210 903 HE3 LYS 112 HE3 LYS 112 8.358 2.855 -12.971 904 HZ1 LYS 112 HZ1 LYS 112 6.610 0.481 -13.337 905 HZ2 LYS 112 HZ2 LYS 112 8.259 0.576 -13.708 906 HZ3 LYS 112 HZ3 LYS 112 7.742 0.664 -12.093 907 H VAL 113 H VAL 113 5.700 5.506 -7.539 908 HA VAL 113 HA VAL 113 2.924 5.714 -7.092 909 HB VAL 113 HB VAL 113 5.199 6.935 -5.515 910 HG11 VAL 113 HG11 VAL 113 3.602 7.043 -3.652 911 HG12 VAL 113 HG12 VAL 113 3.102 8.058 -5.005 912 HG13 VAL 113 HG13 VAL 113 2.317 6.502 -4.732 913 HG21 VAL 113 HG21 VAL 113 4.928 5.005 -4.042 914 HG22 VAL 113 HG22 VAL 113 3.674 4.365 -5.105 915 HG23 VAL 113 HG23 VAL 113 5.334 4.503 -5.683 916 H LYS 114 H LYS 114 5.394 8.260 -7.508 917 HA LYS 114 HA LYS 114 3.590 10.414 -7.354 918 HB2 LYS 114 HB2 LYS 114 6.313 10.199 -8.615 919 HB3 LYS 114 HB3 LYS 114 5.417 11.708 -8.502 920 HG2 LYS 114 HG2 LYS 114 5.382 11.507 -6.069 921 HG3 LYS 114 HG3 LYS 114 6.286 10.003 -6.188 922 HD2 LYS 114 HD2 LYS 114 7.800 11.760 -5.653 923 HD3 LYS 114 HD3 LYS 114 8.101 11.224 -7.304 924 HE2 LYS 114 HE2 LYS 114 8.172 13.634 -7.130 925 HE3 LYS 114 HE3 LYS 114 6.846 13.116 -8.162 926 HZ1 LYS 114 HZ1 LYS 114 5.287 13.558 -6.423 927 HZ2 LYS 114 HZ2 LYS 114 6.525 13.847 -5.298 928 HZ3 LYS 114 HZ3 LYS 114 6.279 14.930 -6.579 929 H LEU 115 H LEU 115 4.783 8.535 -10.084 930 HA LEU 115 HA LEU 115 3.672 10.160 -12.113 931 HB2 LEU 115 HB2 LEU 115 5.470 8.555 -12.520 932 HB3 LEU 115 HB3 LEU 115 4.392 7.229 -12.133 933 HG LEU 115 HG LEU 115 3.003 7.831 -14.101 934 HD11 LEU 115 HD11 LEU 115 3.587 10.186 -14.259 935 HD12 LEU 115 HD12 LEU 115 5.245 9.757 -14.677 936 HD13 LEU 115 HD13 LEU 115 3.927 9.351 -15.775 937 HD21 LEU 115 HD21 LEU 115 4.689 6.085 -14.257 938 HD22 LEU 115 HD22 LEU 115 4.566 6.977 -15.774 939 HD23 LEU 115 HD23 LEU 115 5.910 7.287 -14.675 940 H GLY 116 H GLY 116 2.440 7.355 -10.354 941 HA2 GLY 116 HA2 GLY 116 0.118 7.141 -12.051 942 HA3 GLY 116 HA3 GLY 116 0.459 6.182 -10.620 943 H VAL 117 H VAL 117 0.737 8.251 -8.738 944 HA VAL 117 HA VAL 117 -2.083 8.628 -8.250 945 HB VAL 117 HB VAL 117 0.285 9.397 -6.544 946 HG11 VAL 117 HG11 VAL 117 -1.349 9.481 -4.709 947 HG12 VAL 117 HG12 VAL 117 -1.683 10.683 -5.953 948 HG13 VAL 117 HG13 VAL 117 -2.647 9.209 -5.870 949 HG21 VAL 117 HG21 VAL 117 -1.512 6.979 -6.409 950 HG22 VAL 117 HG22 VAL 117 0.165 6.993 -6.957 951 HG23 VAL 117 HG23 VAL 117 -0.218 7.373 -5.278 952 H GLU 118 H GLU 118 0.741 10.772 -8.633 953 HA GLU 118 HA GLU 118 -0.926 13.097 -8.251 954 HB2 GLU 118 HB2 GLU 118 2.007 12.825 -8.902 955 HB3 GLU 118 HB3 GLU 118 1.187 14.368 -8.702 956 HG2 GLU 118 HG2 GLU 118 0.553 13.658 -6.405 957 HG3 GLU 118 HG3 GLU 118 1.553 12.223 -6.625 958 H SER 119 H SER 119 -2.371 12.882 -9.963 959 HA SER 119 HA SER 119 -1.261 13.746 -12.546 960 HB2 SER 119 HB2 SER 119 -3.472 12.870 -13.470 961 HB3 SER 119 HB3 SER 119 -2.345 11.644 -12.884 962 HG SER 119 HG SER 119 -4.671 12.652 -11.596 963 H GLU 120 H GLU 120 -2.869 15.180 -13.776 964 HA GLU 120 HA GLU 120 -4.154 16.994 -11.847 965 HB2 GLU 120 HB2 GLU 120 -3.811 18.806 -13.443 966 HB3 GLU 120 HB3 GLU 120 -2.284 18.048 -13.028 967 HG2 GLU 120 HG2 GLU 120 -3.822 17.404 -15.530 968 HG3 GLU 120 HG3 GLU 120 -2.586 18.655 -15.441 969 H GLY 121 H GLY 121 -6.208 17.724 -12.209 970 HA2 GLY 121 HA2 GLY 121 -7.831 17.755 -14.332 971 HA3 GLY 121 HA3 GLY 121 -7.825 16.039 -13.939 Start of MODEL 14 1 H ALA 1 H ALA 1 15.765 -11.568 11.250 2 HA ALA 1 HA ALA 1 15.396 -12.094 14.138 3 HB1 ALA 1 HB1 ALA 1 17.695 -10.846 12.639 4 HB2 ALA 1 HB2 ALA 1 17.582 -11.049 14.387 5 HB3 ALA 1 HB3 ALA 1 17.678 -12.464 13.340 6 H GLN 2 H GLN 2 15.961 -9.577 11.674 7 HA GLN 2 HA GLN 2 14.834 -7.592 13.489 8 HB2 GLN 2 HB2 GLN 2 16.332 -7.443 10.895 9 HB3 GLN 2 HB3 GLN 2 15.416 -6.060 11.473 10 HG2 GLN 2 HG2 GLN 2 17.603 -7.435 13.019 11 HG3 GLN 2 HG3 GLN 2 17.808 -5.971 12.056 12 HE21 GLN 2 HE21 GLN 2 16.518 -7.327 14.964 13 HE22 GLN 2 HE22 GLN 2 16.102 -5.829 15.729 14 H ALA 3 H ALA 3 12.753 -7.204 13.481 15 HA ALA 3 HA ALA 3 11.131 -7.786 11.136 16 HB1 ALA 3 HB1 ALA 3 10.335 -6.665 13.827 17 HB2 ALA 3 HB2 ALA 3 9.228 -7.153 12.544 18 HB3 ALA 3 HB3 ALA 3 10.237 -8.359 13.343 19 H ASP 4 H ASP 4 12.174 -6.266 9.774 20 HA ASP 4 HA ASP 4 11.925 -3.449 10.467 21 HB2 ASP 4 HB2 ASP 4 13.202 -3.175 8.244 22 HB3 ASP 4 HB3 ASP 4 14.062 -3.860 9.616 23 H GLY 5 H GLY 5 11.646 -2.185 8.151 24 HA2 GLY 5 HA2 GLY 5 10.148 -2.050 6.249 25 HA3 GLY 5 HA3 GLY 5 9.038 -3.096 7.129 26 H ILE 6 H ILE 6 7.672 -1.106 6.398 27 HA ILE 6 HA ILE 6 7.909 1.083 8.274 28 HB ILE 6 HB ILE 6 7.642 1.862 6.052 29 HG12 ILE 6 HG12 ILE 6 5.286 2.769 6.041 30 HG13 ILE 6 HG13 ILE 6 5.034 1.760 7.460 31 HG21 ILE 6 HG21 ILE 6 5.407 -0.140 5.748 32 HG22 ILE 6 HG22 ILE 6 5.850 1.075 4.550 33 HG23 ILE 6 HG23 ILE 6 6.991 -0.202 4.972 34 HD11 ILE 6 HD11 ILE 6 6.745 2.977 8.669 35 HD12 ILE 6 HD12 ILE 6 7.054 3.969 7.243 36 HD13 ILE 6 HD13 ILE 6 5.500 4.076 8.071 37 H ALA 7 H ALA 7 6.245 1.508 9.750 38 HA ALA 7 HA ALA 7 4.794 -0.814 10.577 39 HB1 ALA 7 HB1 ALA 7 5.806 0.683 12.211 40 HB2 ALA 7 HB2 ALA 7 4.740 1.987 11.686 41 HB3 ALA 7 HB3 ALA 7 4.064 0.554 12.461 42 H PHE 8 H PHE 8 3.378 -1.194 8.860 43 HA PHE 8 HA PHE 8 1.382 0.593 7.999 44 HB2 PHE 8 HB2 PHE 8 1.372 -2.431 8.102 45 HB3 PHE 8 HB3 PHE 8 0.206 -1.451 7.231 46 HD1 PHE 8 HD1 PHE 8 1.052 0.016 5.345 47 HD2 PHE 8 HD2 PHE 8 3.371 -3.076 7.120 48 HE1 PHE 8 HE1 PHE 8 2.491 -0.040 3.352 49 HE2 PHE 8 HE2 PHE 8 4.812 -3.143 5.128 50 HZ PHE 8 HZ PHE 8 4.372 -1.626 3.240 51 H ARG 9 H ARG 9 -0.719 0.893 8.687 52 HA ARG 9 HA ARG 9 -1.279 0.164 11.433 53 HB2 ARG 9 HB2 ARG 9 -2.975 1.678 9.433 54 HB3 ARG 9 HB3 ARG 9 -3.321 1.505 11.149 55 HG2 ARG 9 HG2 ARG 9 -0.990 2.960 9.918 56 HG3 ARG 9 HG3 ARG 9 -2.383 3.677 10.731 57 HD2 ARG 9 HD2 ARG 9 -1.721 2.579 12.817 58 HD3 ARG 9 HD3 ARG 9 -0.332 1.867 12.000 59 HE ARG 9 HE ARG 9 -0.465 4.748 11.855 60 HH11 ARG 9 HH11 ARG 9 0.744 1.964 13.630 61 HH12 ARG 9 HH12 ARG 9 1.965 2.883 14.468 62 HH21 ARG 9 HH21 ARG 9 1.163 5.938 12.942 63 HH22 ARG 9 HH22 ARG 9 2.218 5.119 14.057 64 H GLU 10 H GLU 10 -2.082 -1.768 11.882 65 HA GLU 10 HA GLU 10 -3.660 -3.155 9.857 66 HB2 GLU 10 HB2 GLU 10 -2.631 -4.138 12.533 67 HB3 GLU 10 HB3 GLU 10 -3.388 -5.129 11.290 68 HG2 GLU 10 HG2 GLU 10 -1.567 -4.928 9.848 69 HG3 GLU 10 HG3 GLU 10 -0.923 -3.534 10.710 70 H LEU 11 H LEU 11 -5.585 -2.119 9.894 71 HA LEU 11 HA LEU 11 -7.224 -2.361 12.299 72 HB2 LEU 11 HB2 LEU 11 -6.485 0.138 10.852 73 HB3 LEU 11 HB3 LEU 11 -8.112 -0.006 11.467 74 HG LEU 11 HG LEU 11 -6.962 -0.535 13.738 75 HD11 LEU 11 HD11 LEU 11 -4.701 -0.793 12.866 76 HD12 LEU 11 HD12 LEU 11 -4.720 0.879 12.303 77 HD13 LEU 11 HD13 LEU 11 -4.792 0.529 14.030 78 HD21 LEU 11 HD21 LEU 11 -6.875 1.838 14.272 79 HD22 LEU 11 HD22 LEU 11 -6.858 2.237 12.554 80 HD23 LEU 11 HD23 LEU 11 -8.276 1.470 13.268 81 H SER 12 H SER 12 -9.549 -1.900 11.768 82 HA SER 12 HA SER 12 -10.453 -3.338 9.529 83 HB2 SER 12 HB2 SER 12 -11.998 -1.227 11.054 84 HB3 SER 12 HB3 SER 12 -12.655 -2.612 10.180 85 HG SER 12 HG SER 12 -11.132 -2.612 12.578 86 H PHE 13 H PHE 13 -11.556 -2.576 7.628 87 HA PHE 13 HA PHE 13 -10.108 -0.688 6.197 88 HB2 PHE 13 HB2 PHE 13 -11.428 -2.471 5.142 89 HB3 PHE 13 HB3 PHE 13 -12.914 -1.659 5.622 90 HD1 PHE 13 HD1 PHE 13 -9.878 -1.306 3.536 91 HD2 PHE 13 HD2 PHE 13 -13.845 0.026 4.297 92 HE1 PHE 13 HE1 PHE 13 -9.843 -0.021 1.437 93 HE2 PHE 13 HE2 PHE 13 -13.820 1.316 2.202 94 HZ PHE 13 HZ PHE 13 -11.817 1.293 0.768 95 HA PRO 14 HA PRO 14 -13.845 2.474 6.828 96 HB2 PRO 14 HB2 PRO 14 -14.982 2.125 9.345 97 HB3 PRO 14 HB3 PRO 14 -15.727 1.677 7.809 98 HG2 PRO 14 HG2 PRO 14 -14.230 -0.019 9.757 99 HG3 PRO 14 HG3 PRO 14 -15.675 -0.411 8.804 100 HD2 PRO 14 HD2 PRO 14 -13.275 -1.333 8.099 101 HD3 PRO 14 HD3 PRO 14 -14.442 -0.799 6.870 102 H GLU 15 H GLU 15 -12.081 1.172 9.611 103 HA GLU 15 HA GLU 15 -11.671 3.655 10.899 104 HB2 GLU 15 HB2 GLU 15 -10.410 0.952 11.110 105 HB3 GLU 15 HB3 GLU 15 -9.672 2.321 11.925 106 HG2 GLU 15 HG2 GLU 15 -12.476 1.306 12.325 107 HG3 GLU 15 HG3 GLU 15 -11.117 1.097 13.428 108 H ALA 16 H ALA 16 -9.632 1.739 8.716 109 HA ALA 16 HA ALA 16 -7.367 3.376 8.802 110 HB1 ALA 16 HB1 ALA 16 -6.687 2.286 6.751 111 HB2 ALA 16 HB2 ALA 16 -7.408 1.109 7.849 112 HB3 ALA 16 HB3 ALA 16 -8.333 1.718 6.477 113 H LEU 17 H LEU 17 -10.143 3.430 6.611 114 HA LEU 17 HA LEU 17 -9.290 5.569 4.990 115 HB2 LEU 17 HB2 LEU 17 -11.167 3.960 4.525 116 HB3 LEU 17 HB3 LEU 17 -12.132 4.842 5.685 117 HG LEU 17 HG LEU 17 -11.946 6.871 4.295 118 HD11 LEU 17 HD11 LEU 17 -10.523 5.053 2.357 119 HD12 LEU 17 HD12 LEU 17 -11.070 6.694 2.014 120 HD13 LEU 17 HD13 LEU 17 -9.817 6.416 3.225 121 HD21 LEU 17 HD21 LEU 17 -12.973 4.459 2.805 122 HD22 LEU 17 HD22 LEU 17 -13.855 5.367 4.034 123 HD23 LEU 17 HD23 LEU 17 -13.424 6.138 2.507 124 H LYS 18 H LYS 18 -11.328 5.416 7.850 125 HA LYS 18 HA LYS 18 -12.005 8.061 8.185 126 HB2 LYS 18 HB2 LYS 18 -12.861 6.130 9.446 127 HB3 LYS 18 HB3 LYS 18 -11.317 5.995 10.269 128 HG2 LYS 18 HG2 LYS 18 -11.667 8.164 11.300 129 HG3 LYS 18 HG3 LYS 18 -13.217 8.313 10.461 130 HD2 LYS 18 HD2 LYS 18 -12.445 6.206 12.473 131 HD3 LYS 18 HD3 LYS 18 -13.589 7.520 12.700 132 HE2 LYS 18 HE2 LYS 18 -15.074 6.591 11.044 133 HE3 LYS 18 HE3 LYS 18 -13.898 5.337 10.654 134 HZ1 LYS 18 HZ1 LYS 18 -14.169 4.405 12.839 135 HZ2 LYS 18 HZ2 LYS 18 -15.217 5.659 13.295 136 HZ3 LYS 18 HZ3 LYS 18 -15.693 4.548 12.104 137 H ARG 19 H ARG 19 -9.122 6.352 9.393 138 HA ARG 19 HA ARG 19 -8.026 8.541 10.772 139 HB2 ARG 19 HB2 ARG 19 -6.603 6.162 9.560 140 HB3 ARG 19 HB3 ARG 19 -5.934 7.252 10.761 141 HG2 ARG 19 HG2 ARG 19 -8.287 5.414 11.128 142 HG3 ARG 19 HG3 ARG 19 -6.673 5.218 11.819 143 HD2 ARG 19 HD2 ARG 19 -6.994 6.855 13.382 144 HD3 ARG 19 HD3 ARG 19 -8.124 7.752 12.367 145 HE ARG 19 HE ARG 19 -9.169 5.224 13.226 146 HH11 ARG 19 HH11 ARG 19 -8.631 8.529 14.263 147 HH12 ARG 19 HH12 ARG 19 -10.043 8.573 15.284 148 HH21 ARG 19 HH21 ARG 19 -11.005 5.257 14.552 149 HH22 ARG 19 HH22 ARG 19 -11.388 6.699 15.456 150 H ALA 20 H ALA 20 -7.588 7.403 7.448 151 HA ALA 20 HA ALA 20 -5.622 9.303 6.699 152 HB1 ALA 20 HB1 ALA 20 -7.679 7.936 4.959 153 HB2 ALA 20 HB2 ALA 20 -6.202 8.729 4.406 154 HB3 ALA 20 HB3 ALA 20 -6.104 7.273 5.396 155 H GLU 21 H GLU 21 -9.149 9.266 6.402 156 HA GLU 21 HA GLU 21 -9.586 11.677 5.109 157 HB2 GLU 21 HB2 GLU 21 -11.364 10.079 5.500 158 HB3 GLU 21 HB3 GLU 21 -11.218 10.280 7.238 159 HG2 GLU 21 HG2 GLU 21 -13.114 11.490 6.682 160 HG3 GLU 21 HG3 GLU 21 -11.860 12.717 6.834 161 H VAL 22 H VAL 22 -9.178 11.054 8.566 162 HA VAL 22 HA VAL 22 -9.730 13.815 9.229 163 HB VAL 22 HB VAL 22 -8.966 11.492 11.001 164 HG11 VAL 22 HG11 VAL 22 -9.947 14.247 11.743 165 HG12 VAL 22 HG12 VAL 22 -9.713 12.905 12.862 166 HG13 VAL 22 HG13 VAL 22 -8.328 13.606 12.024 167 HG21 VAL 22 HG21 VAL 22 -11.336 11.516 11.645 168 HG22 VAL 22 HG22 VAL 22 -11.637 12.786 10.460 169 HG23 VAL 22 HG23 VAL 22 -11.124 11.185 9.925 170 H GLU 23 H GLU 23 -6.917 11.626 9.577 171 HA GLU 23 HA GLU 23 -5.456 13.849 10.778 172 HB2 GLU 23 HB2 GLU 23 -5.510 11.671 11.931 173 HB3 GLU 23 HB3 GLU 23 -4.694 10.936 10.558 174 HG2 GLU 23 HG2 GLU 23 -2.722 12.233 10.955 175 HG3 GLU 23 HG3 GLU 23 -3.539 13.172 12.204 176 H ASP 24 H ASP 24 -5.457 11.972 7.829 177 HA ASP 24 HA ASP 24 -2.970 13.351 7.084 178 HB2 ASP 24 HB2 ASP 24 -2.743 10.851 7.629 179 HB3 ASP 24 HB3 ASP 24 -3.595 10.578 6.109 180 H LYS 25 H LYS 25 -3.268 11.738 4.484 181 HA LYS 25 HA LYS 25 -5.170 13.619 3.265 182 HB2 LYS 25 HB2 LYS 25 -3.572 14.293 1.648 183 HB3 LYS 25 HB3 LYS 25 -2.766 14.354 3.212 184 HG2 LYS 25 HG2 LYS 25 -1.854 12.048 2.652 185 HG3 LYS 25 HG3 LYS 25 -2.355 12.403 0.996 186 HD2 LYS 25 HD2 LYS 25 -0.037 13.029 1.282 187 HD3 LYS 25 HD3 LYS 25 -1.014 14.486 1.078 188 HE2 LYS 25 HE2 LYS 25 0.591 14.833 2.851 189 HE3 LYS 25 HE3 LYS 25 -1.034 14.781 3.530 190 HZ1 LYS 25 HZ1 LYS 25 0.888 12.518 3.531 191 HZ2 LYS 25 HZ2 LYS 25 0.575 13.520 4.853 192 HZ3 LYS 25 HZ3 LYS 25 -0.642 12.508 4.242 193 H LEU 26 H LEU 26 -3.383 10.590 2.917 194 HA LEU 26 HA LEU 26 -5.468 9.615 1.116 195 HB2 LEU 26 HB2 LEU 26 -2.514 9.541 0.500 196 HB3 LEU 26 HB3 LEU 26 -3.722 8.618 -0.373 197 HG LEU 26 HG LEU 26 -3.648 11.634 -0.234 198 HD11 LEU 26 HD11 LEU 26 -2.786 9.779 -2.450 199 HD12 LEU 26 HD12 LEU 26 -2.852 11.539 -2.536 200 HD13 LEU 26 HD13 LEU 26 -1.716 10.752 -1.440 201 HD21 LEU 26 HD21 LEU 26 -5.883 10.723 -0.596 202 HD22 LEU 26 HD22 LEU 26 -5.274 11.506 -2.054 203 HD23 LEU 26 HD23 LEU 26 -5.277 9.747 -1.935 204 H LEU 27 H LEU 27 -5.246 7.243 0.744 205 HA LEU 27 HA LEU 27 -4.145 5.935 3.140 206 HB2 LEU 27 HB2 LEU 27 -6.607 5.952 3.062 207 HB3 LEU 27 HB3 LEU 27 -6.561 5.144 1.511 208 HG LEU 27 HG LEU 27 -5.494 3.183 2.589 209 HD11 LEU 27 HD11 LEU 27 -5.478 3.015 5.022 210 HD12 LEU 27 HD12 LEU 27 -4.442 4.332 4.469 211 HD13 LEU 27 HD13 LEU 27 -6.031 4.686 5.149 212 HD21 LEU 27 HD21 LEU 27 -7.904 3.257 2.245 213 HD22 LEU 27 HD22 LEU 27 -7.504 2.399 3.734 214 HD23 LEU 27 HD23 LEU 27 -8.112 4.053 3.805 215 H PHE 28 H PHE 28 -2.390 4.853 2.641 216 HA PHE 28 HA PHE 28 -2.059 3.680 -0.014 217 HB2 PHE 28 HB2 PHE 28 -0.149 4.922 0.805 218 HB3 PHE 28 HB3 PHE 28 -0.157 4.026 2.319 219 HD1 PHE 28 HD1 PHE 28 0.273 3.559 -1.348 220 HD2 PHE 28 HD2 PHE 28 1.183 2.164 2.568 221 HE1 PHE 28 HE1 PHE 28 1.864 1.941 -2.295 222 HE2 PHE 28 HE2 PHE 28 2.773 0.543 1.627 223 HZ PHE 28 HZ PHE 28 3.116 0.431 -0.808 224 H VAL 29 H VAL 29 -2.989 1.740 -0.236 225 HA VAL 29 HA VAL 29 -3.177 0.009 2.118 226 HB VAL 29 HB VAL 29 -4.568 -0.306 -0.544 227 HG11 VAL 29 HG11 VAL 29 -6.042 -1.837 0.679 228 HG12 VAL 29 HG12 VAL 29 -4.366 -2.389 0.693 229 HG13 VAL 29 HG13 VAL 29 -5.054 -1.624 2.125 230 HG21 VAL 29 HG21 VAL 29 -5.609 0.887 2.024 231 HG22 VAL 29 HG22 VAL 29 -5.252 1.768 0.539 232 HG23 VAL 29 HG23 VAL 29 -6.558 0.582 0.569 233 H ASP 30 H ASP 30 -1.521 -1.295 2.353 234 HA ASP 30 HA ASP 30 -0.172 -2.509 0.085 235 HB2 ASP 30 HB2 ASP 30 1.284 -1.904 1.870 236 HB3 ASP 30 HB3 ASP 30 0.229 -2.627 3.078 237 H CYS 31 H CYS 31 -1.151 -4.178 -0.868 238 HA CYS 31 HA CYS 31 -2.558 -6.107 0.853 239 HB2 CYS 31 HB2 CYS 31 -2.954 -5.502 -2.083 240 HB3 CYS 31 HB3 CYS 31 -3.777 -6.789 -1.207 241 HG CYS 31 HG CYS 31 -4.131 -3.853 0.293 242 H PHE 32 H PHE 32 -1.424 -7.847 1.234 243 HA PHE 32 HA PHE 32 0.410 -8.803 -0.858 244 HB2 PHE 32 HB2 PHE 32 2.043 -9.374 0.812 245 HB3 PHE 32 HB3 PHE 32 1.584 -7.694 1.065 246 HD1 PHE 32 HD1 PHE 32 -0.112 -7.190 2.899 247 HD2 PHE 32 HD2 PHE 32 1.877 -10.933 2.528 248 HE1 PHE 32 HE1 PHE 32 -0.640 -7.701 5.246 249 HE2 PHE 32 HE2 PHE 32 1.352 -11.451 4.874 250 HZ PHE 32 HZ PHE 32 0.091 -9.834 6.236 251 H THR 33 H THR 33 0.794 -11.023 -0.920 252 HA THR 33 HA THR 33 -1.225 -12.702 0.393 253 HB THR 33 HB THR 33 0.717 -13.463 -1.809 254 HG1 THR 33 HG1 THR 33 -1.056 -11.735 -2.148 255 HG21 THR 33 HG21 THR 33 -0.832 -15.312 -2.215 256 HG22 THR 33 HG22 THR 33 -0.221 -15.361 -0.561 257 HG23 THR 33 HG23 THR 33 -1.850 -14.763 -0.882 258 H THR 34 H THR 34 -0.443 -14.724 1.396 259 HA THR 34 HA THR 34 1.753 -14.332 3.116 260 HB THR 34 HB THR 34 -0.211 -15.770 3.626 261 HG1 THR 34 HG1 THR 34 1.391 -17.677 4.249 262 HG21 THR 34 HG21 THR 34 1.111 -17.715 1.731 263 HG22 THR 34 HG22 THR 34 -0.260 -18.074 2.781 264 HG23 THR 34 HG23 THR 34 -0.432 -16.900 1.476 265 H TRP 35 H TRP 35 1.923 -14.830 -0.062 266 HA TRP 35 HA TRP 35 3.771 -16.868 -0.512 267 HB2 TRP 35 HB2 TRP 35 2.393 -15.561 -2.192 268 HB3 TRP 35 HB3 TRP 35 3.557 -14.257 -2.013 269 HD1 TRP 35 HD1 TRP 35 5.731 -14.408 -3.399 270 HE1 TRP 35 HE1 TRP 35 6.674 -16.102 -5.103 271 HE3 TRP 35 HE3 TRP 35 2.410 -18.190 -2.639 272 HZ2 TRP 35 HZ2 TRP 35 6.055 -18.717 -5.994 273 HZ3 TRP 35 HZ3 TRP 35 2.641 -20.263 -3.952 274 HH2 TRP 35 HH2 TRP 35 4.429 -20.520 -5.595 275 H CYS 36 H CYS 36 5.879 -17.029 -0.055 276 HA CYS 36 HA CYS 36 7.097 -14.924 1.493 277 HB2 CYS 36 HB2 CYS 36 8.918 -16.630 1.798 278 HB3 CYS 36 HB3 CYS 36 7.321 -17.154 2.322 279 HG CYS 36 HG CYS 36 7.086 -19.199 0.761 280 H GLY 37 H GLY 37 6.738 -14.496 -1.405 281 HA2 GLY 37 HA2 GLY 37 9.549 -14.386 -2.288 282 HA3 GLY 37 HA3 GLY 37 8.163 -14.399 -3.365 283 HA PRO 38 HA PRO 38 8.931 -10.082 -3.995 284 HB2 PRO 38 HB2 PRO 38 5.986 -10.090 -4.481 285 HB3 PRO 38 HB3 PRO 38 7.288 -9.417 -5.468 286 HG2 PRO 38 HG2 PRO 38 6.134 -11.706 -6.157 287 HG3 PRO 38 HG3 PRO 38 7.886 -11.489 -6.328 288 HD2 PRO 38 HD2 PRO 38 6.356 -13.032 -4.284 289 HD3 PRO 38 HD3 PRO 38 7.932 -13.384 -5.022 290 H CYS 39 H CYS 39 6.095 -11.048 -2.070 291 HA CYS 39 HA CYS 39 5.539 -8.555 -0.943 292 HB2 CYS 39 HB2 CYS 39 5.089 -11.302 0.238 293 HB3 CYS 39 HB3 CYS 39 4.308 -9.818 0.774 294 HG CYS 39 HG CYS 39 2.694 -9.478 -1.335 295 H LYS 40 H LYS 40 7.861 -11.022 -0.008 296 HA LYS 40 HA LYS 40 8.561 -9.686 2.451 297 HB2 LYS 40 HB2 LYS 40 8.796 -12.109 2.309 298 HB3 LYS 40 HB3 LYS 40 9.902 -11.948 0.953 299 HG2 LYS 40 HG2 LYS 40 11.493 -10.771 2.439 300 HG3 LYS 40 HG3 LYS 40 10.400 -11.074 3.791 301 HD2 LYS 40 HD2 LYS 40 10.654 -13.457 3.522 302 HD3 LYS 40 HD3 LYS 40 11.620 -13.226 2.062 303 HE2 LYS 40 HE2 LYS 40 13.323 -12.061 3.401 304 HE3 LYS 40 HE3 LYS 40 12.365 -12.350 4.852 305 HZ1 LYS 40 HZ1 LYS 40 12.655 -14.703 4.583 306 HZ2 LYS 40 HZ2 LYS 40 13.465 -14.487 3.107 307 HZ3 LYS 40 HZ3 LYS 40 14.181 -13.959 4.552 308 H ARG 41 H ARG 41 9.940 -10.027 -0.785 309 HA ARG 41 HA ARG 41 12.373 -8.706 -0.276 310 HB2 ARG 41 HB2 ARG 41 11.890 -10.140 -2.257 311 HB3 ARG 41 HB3 ARG 41 10.875 -8.866 -2.884 312 HG2 ARG 41 HG2 ARG 41 13.011 -8.818 -3.970 313 HG3 ARG 41 HG3 ARG 41 12.804 -7.369 -2.979 314 HD2 ARG 41 HD2 ARG 41 14.103 -8.403 -1.206 315 HD3 ARG 41 HD3 ARG 41 14.307 -9.847 -2.191 316 HE ARG 41 HE ARG 41 15.304 -7.940 -3.796 317 HH11 ARG 41 HH11 ARG 41 15.937 -8.684 -0.413 318 HH12 ARG 41 HH12 ARG 41 17.558 -8.065 -0.474 319 HH21 ARG 41 HH21 ARG 41 17.415 -7.126 -3.839 320 HH22 ARG 41 HH22 ARG 41 18.398 -7.177 -2.402 321 H LEU 42 H LEU 42 9.208 -7.538 -1.285 322 HA LEU 42 HA LEU 42 9.823 -4.898 -1.903 323 HB2 LEU 42 HB2 LEU 42 7.638 -5.947 -2.296 324 HB3 LEU 42 HB3 LEU 42 7.341 -5.986 -0.570 325 HG LEU 42 HG LEU 42 7.363 -3.507 -0.539 326 HD11 LEU 42 HD11 LEU 42 7.528 -3.786 -3.536 327 HD12 LEU 42 HD12 LEU 42 7.249 -2.287 -2.650 328 HD13 LEU 42 HD13 LEU 42 8.787 -3.136 -2.485 329 HD21 LEU 42 HD21 LEU 42 5.197 -3.224 -1.631 330 HD22 LEU 42 HD22 LEU 42 5.424 -4.751 -2.483 331 HD23 LEU 42 HD23 LEU 42 5.266 -4.737 -0.727 332 H SER 43 H SER 43 9.075 -6.367 1.238 333 HA SER 43 HA SER 43 9.140 -3.916 2.674 334 HB2 SER 43 HB2 SER 43 9.478 -6.737 3.722 335 HB3 SER 43 HB3 SER 43 9.042 -5.313 4.668 336 HG SER 43 HG SER 43 7.329 -6.867 3.743 337 H LYS 44 H LYS 44 11.564 -6.235 1.731 338 HA LYS 44 HA LYS 44 13.482 -5.343 3.691 339 HB2 LYS 44 HB2 LYS 44 13.669 -7.288 1.397 340 HB3 LYS 44 HB3 LYS 44 15.028 -6.902 2.444 341 HG2 LYS 44 HG2 LYS 44 12.408 -8.092 3.336 342 HG3 LYS 44 HG3 LYS 44 13.926 -8.968 3.119 343 HD2 LYS 44 HD2 LYS 44 14.971 -7.595 4.846 344 HD3 LYS 44 HD3 LYS 44 13.468 -6.694 5.049 345 HE2 LYS 44 HE2 LYS 44 12.339 -8.767 5.732 346 HE3 LYS 44 HE3 LYS 44 13.862 -9.639 5.561 347 HZ1 LYS 44 HZ1 LYS 44 14.822 -8.270 7.290 348 HZ2 LYS 44 HZ2 LYS 44 13.387 -7.377 7.428 349 HZ3 LYS 44 HZ3 LYS 44 13.414 -9.017 7.866 350 H VAL 45 H VAL 45 12.765 -4.630 0.344 351 HA VAL 45 HA VAL 45 15.314 -3.233 0.054 352 HB VAL 45 HB VAL 45 13.096 -3.643 -1.958 353 HG11 VAL 45 HG11 VAL 45 14.725 -2.866 -3.619 354 HG12 VAL 45 HG12 VAL 45 14.341 -1.613 -2.439 355 HG13 VAL 45 HG13 VAL 45 15.862 -2.497 -2.323 356 HG21 VAL 45 HG21 VAL 45 14.205 -5.722 -1.378 357 HG22 VAL 45 HG22 VAL 45 14.645 -5.222 -3.012 358 HG23 VAL 45 HG23 VAL 45 15.779 -4.986 -1.681 359 H VAL 46 H VAL 46 11.840 -2.510 -0.271 360 HA VAL 46 HA VAL 46 12.420 0.299 -0.624 361 HB VAL 46 HB VAL 46 9.743 -1.092 -0.453 362 HG11 VAL 46 HG11 VAL 46 8.879 0.922 -1.539 363 HG12 VAL 46 HG12 VAL 46 9.615 1.296 0.019 364 HG13 VAL 46 HG13 VAL 46 10.485 1.647 -1.473 365 HG21 VAL 46 HG21 VAL 46 11.407 -0.329 -2.851 366 HG22 VAL 46 HG22 VAL 46 11.034 -1.965 -2.306 367 HG23 VAL 46 HG23 VAL 46 9.748 -0.923 -2.915 368 H PHE 47 H PHE 47 10.480 -1.604 1.695 369 HA PHE 47 HA PHE 47 9.864 0.770 3.185 370 HB2 PHE 47 HB2 PHE 47 9.206 -2.129 3.716 371 HB3 PHE 47 HB3 PHE 47 8.572 -0.767 4.635 372 HD1 PHE 47 HD1 PHE 47 7.989 1.173 2.505 373 HD2 PHE 47 HD2 PHE 47 7.364 -3.035 2.648 374 HE1 PHE 47 HE1 PHE 47 6.127 1.402 0.916 375 HE2 PHE 47 HE2 PHE 47 5.500 -2.811 1.058 376 HZ PHE 47 HZ PHE 47 4.882 -0.593 0.193 377 H LYS 48 H LYS 48 12.446 -1.395 3.276 378 HA LYS 48 HA LYS 48 12.899 -1.317 6.111 379 HB2 LYS 48 HB2 LYS 48 13.722 -3.160 4.665 380 HB3 LYS 48 HB3 LYS 48 14.815 -2.031 3.883 381 HG2 LYS 48 HG2 LYS 48 15.927 -1.643 6.041 382 HG3 LYS 48 HG3 LYS 48 14.867 -2.843 6.781 383 HD2 LYS 48 HD2 LYS 48 15.781 -4.582 5.395 384 HD3 LYS 48 HD3 LYS 48 16.724 -3.408 4.473 385 HE2 LYS 48 HE2 LYS 48 17.056 -4.049 7.402 386 HE3 LYS 48 HE3 LYS 48 18.121 -4.576 6.099 387 HZ1 LYS 48 HZ1 LYS 48 17.638 -1.769 6.950 388 HZ2 LYS 48 HZ2 LYS 48 19.053 -2.667 7.200 389 HZ3 LYS 48 HZ3 LYS 48 18.594 -2.226 5.628 390 H ASP 49 H ASP 49 13.610 0.710 3.431 391 HA ASP 49 HA ASP 49 15.889 2.011 4.560 392 HB2 ASP 49 HB2 ASP 49 15.482 1.959 2.133 393 HB3 ASP 49 HB3 ASP 49 14.049 2.959 2.361 394 H SER 50 H SER 50 15.996 3.629 5.939 395 HA SER 50 HA SER 50 13.843 4.374 7.520 396 HB2 SER 50 HB2 SER 50 16.392 5.954 7.128 397 HB3 SER 50 HB3 SER 50 15.348 5.954 8.550 398 HG SER 50 HG SER 50 17.014 4.577 9.009 399 H LEU 51 H LEU 51 15.287 6.072 4.753 400 HA LEU 51 HA LEU 51 13.726 8.434 5.103 401 HB2 LEU 51 HB2 LEU 51 15.407 7.401 2.833 402 HB3 LEU 51 HB3 LEU 51 14.485 8.881 2.702 403 HG LEU 51 HG LEU 51 15.762 9.735 4.709 404 HD11 LEU 51 HD11 LEU 51 17.905 8.675 5.207 405 HD12 LEU 51 HD12 LEU 51 16.555 7.601 5.575 406 HD13 LEU 51 HD13 LEU 51 17.508 7.350 4.112 407 HD21 LEU 51 HD21 LEU 51 16.247 10.453 2.438 408 HD22 LEU 51 HD22 LEU 51 17.731 10.318 3.384 409 HD23 LEU 51 HD23 LEU 51 17.314 9.066 2.214 410 H VAL 52 H VAL 52 13.477 5.565 3.059 411 HA VAL 52 HA VAL 52 11.244 6.499 1.565 412 HB VAL 52 HB VAL 52 12.198 3.662 1.994 413 HG11 VAL 52 HG11 VAL 52 9.877 3.747 1.238 414 HG12 VAL 52 HG12 VAL 52 10.345 4.800 -0.097 415 HG13 VAL 52 HG13 VAL 52 10.936 3.139 -0.034 416 HG21 VAL 52 HG21 VAL 52 13.279 3.933 -0.191 417 HG22 VAL 52 HG22 VAL 52 12.747 5.613 -0.246 418 HG23 VAL 52 HG23 VAL 52 13.902 5.093 0.982 419 H ALA 53 H ALA 53 11.520 4.308 4.364 420 HA ALA 53 HA ALA 53 8.798 3.695 4.651 421 HB1 ALA 53 HB1 ALA 53 10.865 3.991 6.831 422 HB2 ALA 53 HB2 ALA 53 9.334 3.124 6.955 423 HB3 ALA 53 HB3 ALA 53 10.593 2.540 5.866 424 H ASP 54 H ASP 54 10.715 6.327 6.057 425 HA ASP 54 HA ASP 54 8.637 7.569 7.490 426 HB2 ASP 54 HB2 ASP 54 10.994 8.096 7.877 427 HB3 ASP 54 HB3 ASP 54 11.129 8.766 6.256 428 H TYR 55 H TYR 55 9.790 7.937 4.190 429 HA TYR 55 HA TYR 55 8.279 10.158 3.427 430 HB2 TYR 55 HB2 TYR 55 10.175 9.072 2.148 431 HB3 TYR 55 HB3 TYR 55 9.024 7.843 1.635 432 HD1 TYR 55 HD1 TYR 55 9.845 11.433 1.445 433 HD2 TYR 55 HD2 TYR 55 7.490 8.267 -0.141 434 HE1 TYR 55 HE1 TYR 55 9.183 12.876 -0.428 435 HE2 TYR 55 HE2 TYR 55 6.817 9.702 -2.023 436 HH TYR 55 HH TYR 55 8.372 12.633 -2.737 437 H PHE 56 H PHE 56 7.530 6.683 3.123 438 HA PHE 56 HA PHE 56 4.966 7.081 1.993 439 HB2 PHE 56 HB2 PHE 56 6.373 4.773 3.264 440 HB3 PHE 56 HB3 PHE 56 4.634 4.669 3.026 441 HD1 PHE 56 HD1 PHE 56 3.686 4.677 0.784 442 HD2 PHE 56 HD2 PHE 56 7.891 4.683 1.422 443 HE1 PHE 56 HE1 PHE 56 4.033 3.998 -1.552 444 HE2 PHE 56 HE2 PHE 56 8.247 4.002 -0.915 445 HZ PHE 56 HZ PHE 56 6.319 3.660 -2.407 446 H ASN 57 H ASN 57 6.068 6.625 5.321 447 HA ASN 57 HA ASN 57 3.550 6.372 6.537 448 HB2 ASN 57 HB2 ASN 57 5.606 5.779 7.699 449 HB3 ASN 57 HB3 ASN 57 6.143 7.453 7.664 450 HD21 ASN 57 HD21 ASN 57 4.058 5.148 9.170 451 HD22 ASN 57 HD22 ASN 57 3.567 6.149 10.487 452 H ARG 58 H ARG 58 5.465 9.247 5.773 453 HA ARG 58 HA ARG 58 3.526 10.919 7.125 454 HB2 ARG 58 HB2 ARG 58 6.180 11.473 5.874 455 HB3 ARG 58 HB3 ARG 58 5.103 12.787 6.311 456 HG2 ARG 58 HG2 ARG 58 6.165 10.673 8.178 457 HG3 ARG 58 HG3 ARG 58 6.773 12.321 8.034 458 HD2 ARG 58 HD2 ARG 58 5.315 12.167 9.933 459 HD3 ARG 58 HD3 ARG 58 4.555 13.169 8.705 460 HE ARG 58 HE ARG 58 3.831 10.327 9.029 461 HH11 ARG 58 HH11 ARG 58 2.899 13.715 9.095 462 HH12 ARG 58 HH12 ARG 58 1.204 13.376 8.862 463 HH21 ARG 58 HH21 ARG 58 1.610 9.903 8.693 464 HH22 ARG 58 HH22 ARG 58 0.483 11.219 8.612 465 H HIS 59 H HIS 59 4.156 9.911 3.883 466 HA HIS 59 HA HIS 59 2.716 12.195 2.820 467 HB2 HIS 59 HB2 HIS 59 4.227 9.943 1.575 468 HB3 HIS 59 HB3 HIS 59 3.049 10.830 0.608 469 HD1 HIS 59 HD1 HIS 59 4.015 12.750 -0.607 470 HD2 HIS 59 HD2 HIS 59 6.100 11.933 2.906 471 HE1 HIS 59 HE1 HIS 59 5.875 14.440 -0.503 472 HE2 HIS 59 HE2 HIS 59 7.021 14.034 1.698 473 H PHE 60 H PHE 60 2.015 8.925 3.723 474 HA PHE 60 HA PHE 60 -0.803 9.459 3.154 475 HB2 PHE 60 HB2 PHE 60 0.137 6.731 2.348 476 HB3 PHE 60 HB3 PHE 60 -1.210 7.673 1.729 477 HD1 PHE 60 HD1 PHE 60 2.365 6.975 1.453 478 HD2 PHE 60 HD2 PHE 60 -0.892 9.224 -0.117 479 HE1 PHE 60 HE1 PHE 60 3.701 7.519 -0.537 480 HE2 PHE 60 HE2 PHE 60 0.445 9.774 -2.106 481 HZ PHE 60 HZ PHE 60 2.741 8.921 -2.318 482 H VAL 61 H VAL 61 -2.194 7.738 4.235 483 HA VAL 61 HA VAL 61 -0.941 6.731 6.658 484 HB VAL 61 HB VAL 61 -3.796 6.483 5.676 485 HG11 VAL 61 HG11 VAL 61 -3.183 4.568 7.077 486 HG12 VAL 61 HG12 VAL 61 -2.625 5.667 8.340 487 HG13 VAL 61 HG13 VAL 61 -4.332 5.623 7.898 488 HG21 VAL 61 HG21 VAL 61 -2.583 8.161 7.869 489 HG22 VAL 61 HG22 VAL 61 -3.167 8.749 6.312 490 HG23 VAL 61 HG23 VAL 61 -4.300 8.062 7.475 491 H ASN 62 H ASN 62 -0.038 4.783 6.785 492 HA ASN 62 HA ASN 62 -0.234 3.016 4.495 493 HB2 ASN 62 HB2 ASN 62 1.488 2.973 6.973 494 HB3 ASN 62 HB3 ASN 62 1.510 1.684 5.779 495 HD21 ASN 62 HD21 ASN 62 1.140 5.102 5.042 496 HD22 ASN 62 HD22 ASN 62 2.659 5.281 4.241 497 H LEU 63 H LEU 63 -1.645 1.438 4.362 498 HA LEU 63 HA LEU 63 -2.713 0.235 6.841 499 HB2 LEU 63 HB2 LEU 63 -4.465 1.370 5.652 500 HB3 LEU 63 HB3 LEU 63 -3.980 0.648 4.131 501 HG LEU 63 HG LEU 63 -4.655 -1.583 5.051 502 HD11 LEU 63 HD11 LEU 63 -5.827 0.083 7.272 503 HD12 LEU 63 HD12 LEU 63 -6.116 -1.636 7.004 504 HD13 LEU 63 HD13 LEU 63 -4.499 -1.068 7.421 505 HD21 LEU 63 HD21 LEU 63 -6.790 0.541 4.926 506 HD22 LEU 63 HD22 LEU 63 -6.106 -0.337 3.557 507 HD23 LEU 63 HD23 LEU 63 -7.054 -1.196 4.771 508 H LYS 64 H LYS 64 -2.601 -1.960 7.070 509 HA LYS 64 HA LYS 64 -1.298 -3.438 4.881 510 HB2 LYS 64 HB2 LYS 64 -0.151 -3.423 7.100 511 HB3 LYS 64 HB3 LYS 64 -1.549 -4.242 7.785 512 HG2 LYS 64 HG2 LYS 64 -1.152 -6.065 6.076 513 HG3 LYS 64 HG3 LYS 64 0.394 -5.283 5.744 514 HD2 LYS 64 HD2 LYS 64 -0.528 -6.387 8.396 515 HD3 LYS 64 HD3 LYS 64 0.686 -7.096 7.332 516 HE2 LYS 64 HE2 LYS 64 2.102 -5.122 7.638 517 HE3 LYS 64 HE3 LYS 64 0.884 -4.416 8.700 518 HZ1 LYS 64 HZ1 LYS 64 2.508 -5.403 10.078 519 HZ2 LYS 64 HZ2 LYS 64 1.162 -6.436 10.129 520 HZ3 LYS 64 HZ3 LYS 64 2.516 -6.844 9.184 521 H MET 65 H MET 65 -2.402 -4.950 3.814 522 HA MET 65 HA MET 65 -4.807 -6.095 5.041 523 HB2 MET 65 HB2 MET 65 -5.558 -4.229 3.642 524 HB3 MET 65 HB3 MET 65 -4.678 -4.887 2.270 525 HG2 MET 65 HG2 MET 65 -7.020 -5.380 2.055 526 HG3 MET 65 HG3 MET 65 -6.118 -6.872 2.317 527 HE1 MET 65 HE1 MET 65 -8.687 -4.782 5.531 528 HE2 MET 65 HE2 MET 65 -7.184 -4.098 4.909 529 HE3 MET 65 HE3 MET 65 -8.589 -4.248 3.854 530 H ASP 66 H ASP 66 -5.105 -8.217 4.606 531 HA ASP 66 HA ASP 66 -3.075 -9.583 3.032 532 HB2 ASP 66 HB2 ASP 66 -3.974 -10.439 5.290 533 HB3 ASP 66 HB3 ASP 66 -5.429 -10.857 4.391 534 H MET 67 H MET 67 -3.637 -11.045 1.366 535 HA MET 67 HA MET 67 -5.710 -10.103 -0.378 536 HB2 MET 67 HB2 MET 67 -3.591 -12.186 -0.422 537 HB3 MET 67 HB3 MET 67 -4.857 -12.247 -1.648 538 HG2 MET 67 HG2 MET 67 -3.037 -9.902 -1.125 539 HG3 MET 67 HG3 MET 67 -2.843 -11.077 -2.425 540 HE1 MET 67 HE1 MET 67 -2.912 -7.978 -2.982 541 HE2 MET 67 HE2 MET 67 -2.778 -9.196 -4.252 542 HE3 MET 67 HE3 MET 67 -3.980 -7.913 -4.384 543 H GLU 68 H GLU 68 -5.577 -12.400 2.121 544 HA GLU 68 HA GLU 68 -7.964 -13.766 1.062 545 HB2 GLU 68 HB2 GLU 68 -6.045 -15.274 1.160 546 HB3 GLU 68 HB3 GLU 68 -5.787 -14.868 2.849 547 HG2 GLU 68 HG2 GLU 68 -7.947 -15.867 3.414 548 HG3 GLU 68 HG3 GLU 68 -8.183 -16.294 1.719 549 H LYS 69 H LYS 69 -6.279 -12.949 4.100 550 HA LYS 69 HA LYS 69 -8.783 -13.209 5.552 551 HB2 LYS 69 HB2 LYS 69 -6.496 -14.079 6.336 552 HB3 LYS 69 HB3 LYS 69 -6.120 -12.401 6.705 553 HG2 LYS 69 HG2 LYS 69 -6.868 -13.518 8.690 554 HG3 LYS 69 HG3 LYS 69 -8.072 -12.324 8.200 555 HD2 LYS 69 HD2 LYS 69 -9.373 -14.120 7.125 556 HD3 LYS 69 HD3 LYS 69 -8.187 -15.296 7.691 557 HE2 LYS 69 HE2 LYS 69 -8.699 -14.671 10.010 558 HE3 LYS 69 HE3 LYS 69 -9.910 -13.528 9.425 559 HZ1 LYS 69 HZ1 LYS 69 -9.945 -16.479 9.082 560 HZ2 LYS 69 HZ2 LYS 69 -10.973 -15.562 10.073 561 HZ3 LYS 69 HZ3 LYS 69 -11.072 -15.420 8.387 562 H GLY 70 H GLY 70 -9.416 -11.502 7.110 563 HA2 GLY 70 HA2 GLY 70 -9.816 -9.326 7.741 564 HA3 GLY 70 HA3 GLY 70 -8.396 -8.849 6.823 565 H GLU 71 H GLU 71 -11.031 -10.645 5.413 566 HA GLU 71 HA GLU 71 -12.544 -10.169 3.798 567 HB2 GLU 71 HB2 GLU 71 -12.231 -7.448 5.020 568 HB3 GLU 71 HB3 GLU 71 -13.141 -7.628 3.528 569 HG2 GLU 71 HG2 GLU 71 -14.581 -7.626 5.501 570 HG3 GLU 71 HG3 GLU 71 -14.686 -9.137 4.605 571 H GLY 72 H GLY 72 -9.540 -9.983 3.490 572 HA2 GLY 72 HA2 GLY 72 -8.762 -8.201 1.516 573 HA3 GLY 72 HA3 GLY 72 -8.082 -9.802 1.739 574 H VAL 73 H VAL 73 -10.586 -11.174 1.201 575 HA VAL 73 HA VAL 73 -10.340 -11.575 -1.554 576 HB VAL 73 HB VAL 73 -11.284 -13.263 -0.051 577 HG11 VAL 73 HG11 VAL 73 -13.688 -11.449 0.105 578 HG12 VAL 73 HG12 VAL 73 -13.601 -13.093 0.736 579 HG13 VAL 73 HG13 VAL 73 -12.578 -11.829 1.422 580 HG21 VAL 73 HG21 VAL 73 -13.119 -14.029 -1.488 581 HG22 VAL 73 HG22 VAL 73 -13.195 -12.433 -2.234 582 HG23 VAL 73 HG23 VAL 73 -11.756 -13.431 -2.435 583 H GLU 74 H GLU 74 -12.312 -9.317 0.248 584 HA GLU 74 HA GLU 74 -14.142 -8.674 -1.830 585 HB2 GLU 74 HB2 GLU 74 -13.846 -8.015 0.855 586 HB3 GLU 74 HB3 GLU 74 -13.571 -6.492 0.024 587 HG2 GLU 74 HG2 GLU 74 -15.994 -8.244 -0.333 588 HG3 GLU 74 HG3 GLU 74 -15.913 -6.820 0.703 589 H LEU 75 H LEU 75 -11.067 -7.296 -0.739 590 HA LEU 75 HA LEU 75 -11.034 -5.206 -2.682 591 HB2 LEU 75 HB2 LEU 75 -8.851 -6.403 -0.977 592 HB3 LEU 75 HB3 LEU 75 -8.590 -5.056 -2.067 593 HG LEU 75 HG LEU 75 -10.422 -3.846 -0.747 594 HD11 LEU 75 HD11 LEU 75 -11.341 -5.755 0.435 595 HD12 LEU 75 HD12 LEU 75 -9.791 -6.029 1.232 596 HD13 LEU 75 HD13 LEU 75 -10.711 -4.562 1.570 597 HD21 LEU 75 HD21 LEU 75 -8.058 -3.271 -0.627 598 HD22 LEU 75 HD22 LEU 75 -8.839 -3.104 0.945 599 HD23 LEU 75 HD23 LEU 75 -7.815 -4.501 0.614 600 H ARG 76 H ARG 76 -9.635 -8.438 -2.464 601 HA ARG 76 HA ARG 76 -8.076 -8.455 -4.770 602 HB2 ARG 76 HB2 ARG 76 -8.150 -10.282 -3.086 603 HB3 ARG 76 HB3 ARG 76 -9.736 -10.741 -3.686 604 HG2 ARG 76 HG2 ARG 76 -8.583 -11.005 -5.963 605 HG3 ARG 76 HG3 ARG 76 -7.078 -10.977 -5.044 606 HD2 ARG 76 HD2 ARG 76 -9.362 -12.890 -4.583 607 HD3 ARG 76 HD3 ARG 76 -7.903 -13.264 -5.494 608 HE ARG 76 HE ARG 76 -7.560 -12.402 -2.727 609 HH11 ARG 76 HH11 ARG 76 -7.652 -15.016 -5.048 610 HH12 ARG 76 HH12 ARG 76 -6.869 -16.158 -4.005 611 HH21 ARG 76 HH21 ARG 76 -6.532 -13.917 -1.329 612 HH22 ARG 76 HH22 ARG 76 -6.224 -15.536 -1.895 613 H LYS 77 H LYS 77 -11.505 -9.194 -4.361 614 HA LYS 77 HA LYS 77 -12.013 -9.847 -7.085 615 HB2 LYS 77 HB2 LYS 77 -13.366 -10.527 -5.052 616 HB3 LYS 77 HB3 LYS 77 -13.983 -8.884 -5.003 617 HG2 LYS 77 HG2 LYS 77 -14.829 -9.251 -7.342 618 HG3 LYS 77 HG3 LYS 77 -14.418 -10.956 -7.131 619 HD2 LYS 77 HD2 LYS 77 -15.816 -10.808 -4.977 620 HD3 LYS 77 HD3 LYS 77 -16.453 -9.312 -5.662 621 HE2 LYS 77 HE2 LYS 77 -17.952 -11.069 -6.241 622 HE3 LYS 77 HE3 LYS 77 -17.074 -10.617 -7.703 623 HZ1 LYS 77 HZ1 LYS 77 -16.400 -12.922 -5.953 624 HZ2 LYS 77 HZ2 LYS 77 -17.249 -13.031 -7.417 625 HZ3 LYS 77 HZ3 LYS 77 -15.638 -12.513 -7.414 626 H LYS 78 H LYS 78 -12.051 -6.946 -5.181 627 HA LYS 78 HA LYS 78 -13.764 -5.389 -6.798 628 HB2 LYS 78 HB2 LYS 78 -13.206 -5.001 -4.380 629 HB3 LYS 78 HB3 LYS 78 -11.633 -4.414 -4.895 630 HG2 LYS 78 HG2 LYS 78 -12.668 -2.591 -6.097 631 HG3 LYS 78 HG3 LYS 78 -14.270 -3.199 -5.686 632 HD2 LYS 78 HD2 LYS 78 -12.174 -2.142 -3.792 633 HD3 LYS 78 HD3 LYS 78 -13.724 -1.399 -4.189 634 HE2 LYS 78 HE2 LYS 78 -13.390 -4.067 -2.820 635 HE3 LYS 78 HE3 LYS 78 -13.713 -2.547 -1.989 636 HZ1 LYS 78 HZ1 LYS 78 -15.503 -3.712 -4.051 637 HZ2 LYS 78 HZ2 LYS 78 -15.699 -3.954 -2.386 638 HZ3 LYS 78 HZ3 LYS 78 -15.829 -2.391 -3.041 639 H TYR 79 H TYR 79 -10.252 -5.736 -6.684 640 HA TYR 79 HA TYR 79 -10.028 -3.717 -8.812 641 HB2 TYR 79 HB2 TYR 79 -7.881 -4.783 -6.972 642 HB3 TYR 79 HB3 TYR 79 -7.723 -3.439 -8.105 643 HD1 TYR 79 HD1 TYR 79 -9.539 -1.529 -7.775 644 HD2 TYR 79 HD2 TYR 79 -8.345 -4.275 -4.755 645 HE1 TYR 79 HE1 TYR 79 -10.352 0.019 -6.053 646 HE2 TYR 79 HE2 TYR 79 -9.154 -2.728 -3.024 647 HH TYR 79 HH TYR 79 -11.105 -0.032 -3.743 648 H GLY 80 H GLY 80 -10.424 -6.871 -8.683 649 HA2 GLY 80 HA2 GLY 80 -10.069 -8.570 -10.184 650 HA3 GLY 80 HA3 GLY 80 -9.600 -7.316 -11.319 651 H VAL 81 H VAL 81 -8.002 -8.081 -8.281 652 HA VAL 81 HA VAL 81 -5.534 -8.413 -9.801 653 HB VAL 81 HB VAL 81 -5.439 -6.763 -8.032 654 HG11 VAL 81 HG11 VAL 81 -5.650 -7.389 -5.665 655 HG12 VAL 81 HG12 VAL 81 -7.159 -7.619 -6.551 656 HG13 VAL 81 HG13 VAL 81 -6.150 -9.009 -6.152 657 HG21 VAL 81 HG21 VAL 81 -3.484 -7.582 -6.813 658 HG22 VAL 81 HG22 VAL 81 -3.860 -9.228 -7.322 659 HG23 VAL 81 HG23 VAL 81 -3.412 -8.016 -8.521 660 H HIS 82 H HIS 82 -4.557 -10.292 -10.059 661 HA HIS 82 HA HIS 82 -5.425 -12.571 -8.388 662 HB2 HIS 82 HB2 HIS 82 -4.131 -12.688 -11.124 663 HB3 HIS 82 HB3 HIS 82 -4.809 -14.035 -10.218 664 HD1 HIS 82 HD1 HIS 82 -5.597 -11.828 -12.889 665 HD2 HIS 82 HD2 HIS 82 -7.774 -13.565 -9.799 666 HE1 HIS 82 HE1 HIS 82 -8.010 -11.686 -13.596 667 HE2 HIS 82 HE2 HIS 82 -9.281 -12.931 -11.809 668 H ALA 83 H ALA 83 -3.038 -10.388 -8.713 669 HA ALA 83 HA ALA 83 -0.735 -12.116 -8.598 670 HB1 ALA 83 HB1 ALA 83 -0.950 -9.130 -8.235 671 HB2 ALA 83 HB2 ALA 83 0.547 -10.047 -8.408 672 HB3 ALA 83 HB3 ALA 83 -0.599 -9.968 -9.747 673 H TYR 84 H TYR 84 0.937 -11.513 -6.839 674 HA TYR 84 HA TYR 84 -0.374 -12.086 -4.305 675 HB2 TYR 84 HB2 TYR 84 2.556 -12.212 -5.028 676 HB3 TYR 84 HB3 TYR 84 1.839 -12.775 -3.521 677 HD1 TYR 84 HD1 TYR 84 0.385 -14.786 -3.516 678 HD2 TYR 84 HD2 TYR 84 2.404 -13.515 -7.038 679 HE1 TYR 84 HE1 TYR 84 -0.037 -16.981 -4.545 680 HE2 TYR 84 HE2 TYR 84 1.989 -15.704 -8.076 681 HH TYR 84 HH TYR 84 1.484 -17.973 -7.468 682 HA PRO 85 HA PRO 85 1.754 -8.084 -3.122 683 HB2 PRO 85 HB2 PRO 85 3.644 -6.919 -4.631 684 HB3 PRO 85 HB3 PRO 85 4.007 -8.299 -3.589 685 HG2 PRO 85 HG2 PRO 85 3.779 -8.170 -6.530 686 HG3 PRO 85 HG3 PRO 85 4.679 -9.310 -5.520 687 HD2 PRO 85 HD2 PRO 85 2.109 -9.676 -6.741 688 HD3 PRO 85 HD3 PRO 85 3.002 -10.814 -5.713 689 H THR 86 H THR 86 0.520 -6.245 -3.237 690 HA THR 86 HA THR 86 0.122 -4.941 -5.807 691 HB THR 86 HB THR 86 -2.247 -5.872 -4.174 692 HG1 THR 86 HG1 THR 86 -0.782 -7.122 -6.040 693 HG21 THR 86 HG21 THR 86 -2.094 -4.445 -6.835 694 HG22 THR 86 HG22 THR 86 -3.570 -5.042 -6.072 695 HG23 THR 86 HG23 THR 86 -2.648 -3.744 -5.315 696 H LEU 87 H LEU 87 0.143 -2.815 -5.595 697 HA LEU 87 HA LEU 87 -0.210 -1.668 -2.915 698 HB2 LEU 87 HB2 LEU 87 1.250 -0.649 -5.351 699 HB3 LEU 87 HB3 LEU 87 0.919 0.361 -3.960 700 HG LEU 87 HG LEU 87 2.213 -1.342 -2.581 701 HD11 LEU 87 HD11 LEU 87 3.111 -2.240 -5.313 702 HD12 LEU 87 HD12 LEU 87 3.824 -2.727 -3.775 703 HD13 LEU 87 HD13 LEU 87 2.168 -3.190 -4.165 704 HD21 LEU 87 HD21 LEU 87 3.122 0.825 -3.156 705 HD22 LEU 87 HD22 LEU 87 4.380 -0.408 -3.247 706 HD23 LEU 87 HD23 LEU 87 3.646 0.214 -4.724 707 H LEU 88 H LEU 88 -2.107 -0.764 -2.545 708 HA LEU 88 HA LEU 88 -3.645 0.270 -4.829 709 HB2 LEU 88 HB2 LEU 88 -4.570 -0.550 -2.077 710 HB3 LEU 88 HB3 LEU 88 -5.608 0.075 -3.344 711 HG LEU 88 HG LEU 88 -4.038 -2.497 -3.513 712 HD11 LEU 88 HD11 LEU 88 -6.979 -2.027 -3.052 713 HD12 LEU 88 HD12 LEU 88 -6.198 -3.595 -3.266 714 HD13 LEU 88 HD13 LEU 88 -5.825 -2.609 -1.851 715 HD21 LEU 88 HD21 LEU 88 -6.137 -1.325 -5.336 716 HD22 LEU 88 HD22 LEU 88 -4.413 -1.450 -5.689 717 HD23 LEU 88 HD23 LEU 88 -5.385 -2.911 -5.507 718 H PHE 89 H PHE 89 -4.214 2.366 -4.933 719 HA PHE 89 HA PHE 89 -3.375 4.078 -2.691 720 HB2 PHE 89 HB2 PHE 89 -3.611 4.878 -5.598 721 HB3 PHE 89 HB3 PHE 89 -2.893 5.814 -4.288 722 HD1 PHE 89 HD1 PHE 89 -0.869 4.737 -3.090 723 HD2 PHE 89 HD2 PHE 89 -2.266 3.543 -6.926 724 HE1 PHE 89 HE1 PHE 89 1.320 3.717 -3.566 725 HE2 PHE 89 HE2 PHE 89 -0.082 2.518 -7.408 726 HZ PHE 89 HZ PHE 89 1.716 2.606 -5.727 727 H ILE 90 H ILE 90 -5.097 4.597 -1.546 728 HA ILE 90 HA ILE 90 -7.656 5.090 -2.921 729 HB ILE 90 HB ILE 90 -7.148 4.456 -0.005 730 HG12 ILE 90 HG12 ILE 90 -6.622 2.548 -1.491 731 HG13 ILE 90 HG13 ILE 90 -8.013 2.232 -0.460 732 HG21 ILE 90 HG21 ILE 90 -9.566 4.103 0.129 733 HG22 ILE 90 HG22 ILE 90 -9.166 5.758 -0.331 734 HG23 ILE 90 HG23 ILE 90 -9.728 4.615 -1.551 735 HD11 ILE 90 HD11 ILE 90 -8.374 1.405 -2.712 736 HD12 ILE 90 HD12 ILE 90 -9.506 2.702 -2.328 737 HD13 ILE 90 HD13 ILE 90 -8.112 3.025 -3.359 738 H ASN 91 H ASN 91 -8.615 7.073 -2.752 739 HA ASN 91 HA ASN 91 -7.190 9.128 -1.245 740 HB2 ASN 91 HB2 ASN 91 -8.755 10.727 -2.331 741 HB3 ASN 91 HB3 ASN 91 -7.838 9.772 -3.485 742 HD21 ASN 91 HD21 ASN 91 -9.383 10.278 -5.065 743 HD22 ASN 91 HD22 ASN 91 -10.918 9.469 -5.114 744 H SER 92 H SER 92 -8.834 10.817 -0.218 745 HA SER 92 HA SER 92 -9.853 9.563 2.071 746 HB2 SER 92 HB2 SER 92 -10.707 12.298 1.140 747 HB3 SER 92 HB3 SER 92 -10.448 11.727 2.790 748 HG SER 92 HG SER 92 -8.409 12.221 2.619 749 H SER 93 H SER 93 -11.260 10.038 -1.010 750 HA SER 93 HA SER 93 -14.003 10.059 -0.153 751 HB2 SER 93 HB2 SER 93 -13.242 11.124 -2.271 752 HB3 SER 93 HB3 SER 93 -12.846 9.529 -2.905 753 HG SER 93 HG SER 93 -14.841 9.431 -3.520 754 H GLY 94 H GLY 94 -11.613 7.684 -0.534 755 HA2 GLY 94 HA2 GLY 94 -11.836 5.419 0.035 756 HA3 GLY 94 HA3 GLY 94 -13.581 5.570 -0.139 757 H GLU 95 H GLU 95 -11.599 6.853 -2.625 758 HA GLU 95 HA GLU 95 -12.317 4.577 -4.348 759 HB2 GLU 95 HB2 GLU 95 -12.203 7.506 -5.103 760 HB3 GLU 95 HB3 GLU 95 -12.619 6.179 -6.181 761 HG2 GLU 95 HG2 GLU 95 -14.604 5.704 -4.888 762 HG3 GLU 95 HG3 GLU 95 -14.170 6.949 -3.719 763 H VAL 96 H VAL 96 -10.919 4.440 -6.330 764 HA VAL 96 HA VAL 96 -8.152 4.678 -5.441 765 HB VAL 96 HB VAL 96 -7.644 3.201 -7.401 766 HG11 VAL 96 HG11 VAL 96 -8.555 1.178 -6.376 767 HG12 VAL 96 HG12 VAL 96 -7.916 2.292 -5.168 768 HG13 VAL 96 HG13 VAL 96 -9.658 2.164 -5.415 769 HG21 VAL 96 HG21 VAL 96 -9.525 2.013 -8.461 770 HG22 VAL 96 HG22 VAL 96 -10.653 3.073 -7.614 771 HG23 VAL 96 HG23 VAL 96 -9.544 3.741 -8.811 772 H VAL 97 H VAL 97 -6.603 5.808 -6.468 773 HA VAL 97 HA VAL 97 -7.416 7.413 -8.792 774 HB VAL 97 HB VAL 97 -5.411 8.802 -8.325 775 HG11 VAL 97 HG11 VAL 97 -6.284 9.872 -6.278 776 HG12 VAL 97 HG12 VAL 97 -7.545 9.512 -7.456 777 HG13 VAL 97 HG13 VAL 97 -7.348 8.485 -6.036 778 HG21 VAL 97 HG21 VAL 97 -4.252 8.560 -6.170 779 HG22 VAL 97 HG22 VAL 97 -5.161 7.081 -5.856 780 HG23 VAL 97 HG23 VAL 97 -4.023 7.147 -7.201 781 H TYR 98 H TYR 98 -5.366 4.862 -7.743 782 HA TYR 98 HA TYR 98 -4.474 4.295 -10.412 783 HB2 TYR 98 HB2 TYR 98 -2.890 6.095 -9.589 784 HB3 TYR 98 HB3 TYR 98 -2.370 4.975 -8.339 785 HD1 TYR 98 HD1 TYR 98 -2.376 5.633 -11.966 786 HD2 TYR 98 HD2 TYR 98 -0.836 3.200 -8.836 787 HE1 TYR 98 HE1 TYR 98 -0.682 4.731 -13.506 788 HE2 TYR 98 HE2 TYR 98 0.864 2.293 -10.365 789 HH TYR 98 HH TYR 98 1.090 1.987 -12.903 790 H ARG 99 H ARG 99 -3.714 2.160 -10.588 791 HA ARG 99 HA ARG 99 -3.649 0.597 -8.090 792 HB2 ARG 99 HB2 ARG 99 -4.753 -0.246 -10.778 793 HB3 ARG 99 HB3 ARG 99 -4.498 -1.341 -9.428 794 HG2 ARG 99 HG2 ARG 99 -6.110 -0.134 -8.102 795 HG3 ARG 99 HG3 ARG 99 -6.335 1.037 -9.405 796 HD2 ARG 99 HD2 ARG 99 -6.936 -1.916 -9.535 797 HD3 ARG 99 HD3 ARG 99 -8.126 -0.619 -9.421 798 HE ARG 99 HE ARG 99 -7.140 0.141 -11.634 799 HH11 ARG 99 HH11 ARG 99 -7.232 -3.226 -10.643 800 HH12 ARG 99 HH12 ARG 99 -7.270 -3.832 -12.266 801 HH21 ARG 99 HH21 ARG 99 -7.176 -0.677 -13.780 802 HH22 ARG 99 HH22 ARG 99 -7.250 -2.400 -14.030 803 H LEU 100 H LEU 100 -1.798 -0.451 -7.750 804 HA LEU 100 HA LEU 100 0.025 -0.768 -10.043 805 HB2 LEU 100 HB2 LEU 100 0.807 0.852 -8.361 806 HB3 LEU 100 HB3 LEU 100 0.731 -0.401 -7.130 807 HG LEU 100 HG LEU 100 2.478 -1.669 -8.324 808 HD11 LEU 100 HD11 LEU 100 3.713 -0.618 -10.148 809 HD12 LEU 100 HD12 LEU 100 2.024 -0.873 -10.589 810 HD13 LEU 100 HD13 LEU 100 2.586 0.738 -10.141 811 HD21 LEU 100 HD21 LEU 100 4.332 -0.149 -7.809 812 HD22 LEU 100 HD22 LEU 100 3.195 1.194 -7.699 813 HD23 LEU 100 HD23 LEU 100 3.104 -0.135 -6.545 814 H VAL 101 H VAL 101 -0.003 -2.792 -10.695 815 HA VAL 101 HA VAL 101 -0.342 -4.958 -8.753 816 HB VAL 101 HB VAL 101 -0.313 -5.073 -11.777 817 HG11 VAL 101 HG11 VAL 101 -1.100 -7.156 -9.741 818 HG12 VAL 101 HG12 VAL 101 -1.268 -7.312 -11.490 819 HG13 VAL 101 HG13 VAL 101 0.336 -7.190 -10.765 820 HG21 VAL 101 HG21 VAL 101 -2.751 -5.363 -11.582 821 HG22 VAL 101 HG22 VAL 101 -2.631 -5.079 -9.845 822 HG23 VAL 101 HG23 VAL 101 -2.215 -3.794 -10.980 823 H GLY 102 H GLY 102 1.436 -5.786 -7.903 824 HA2 GLY 102 HA2 GLY 102 3.443 -7.095 -8.226 825 HA3 GLY 102 HA3 GLY 102 3.821 -6.076 -9.612 826 H ALA 103 H ALA 103 5.898 -5.661 -8.675 827 HA ALA 103 HA ALA 103 5.813 -3.420 -6.832 828 HB1 ALA 103 HB1 ALA 103 7.431 -4.377 -5.282 829 HB2 ALA 103 HB2 ALA 103 5.963 -5.353 -5.337 830 HB3 ALA 103 HB3 ALA 103 7.414 -5.895 -6.180 831 H GLU 104 H GLU 104 7.610 -2.118 -6.893 832 HA GLU 104 HA GLU 104 9.617 -2.738 -8.957 833 HB2 GLU 104 HB2 GLU 104 8.574 -0.053 -8.017 834 HB3 GLU 104 HB3 GLU 104 9.906 -0.263 -9.143 835 HG2 GLU 104 HG2 GLU 104 7.103 -1.236 -9.632 836 HG3 GLU 104 HG3 GLU 104 7.741 0.303 -10.206 837 H ASP 105 H ASP 105 11.691 -1.284 -8.442 838 HA ASP 105 HA ASP 105 12.532 -1.960 -5.759 839 HB2 ASP 105 HB2 ASP 105 13.966 -1.894 -7.962 840 HB3 ASP 105 HB3 ASP 105 14.123 -0.183 -7.577 841 H ALA 106 H ALA 106 13.876 0.004 -4.656 842 HA ALA 106 HA ALA 106 11.848 1.502 -3.496 843 HB1 ALA 106 HB1 ALA 106 13.955 1.002 -2.377 844 HB2 ALA 106 HB2 ALA 106 14.792 2.133 -3.438 845 HB3 ALA 106 HB3 ALA 106 13.575 2.722 -2.308 846 HA PRO 107 HA PRO 107 13.324 5.492 -5.833 847 HB2 PRO 107 HB2 PRO 107 14.550 4.430 -8.299 848 HB3 PRO 107 HB3 PRO 107 15.100 5.731 -7.239 849 HG2 PRO 107 HG2 PRO 107 16.351 3.366 -7.305 850 HG3 PRO 107 HG3 PRO 107 16.174 4.277 -5.794 851 HD2 PRO 107 HD2 PRO 107 14.621 1.916 -6.780 852 HD3 PRO 107 HD3 PRO 107 15.226 2.263 -5.147 853 H GLU 108 H GLU 108 12.634 2.755 -8.000 854 HA GLU 108 HA GLU 108 11.000 4.321 -9.732 855 HB2 GLU 108 HB2 GLU 108 11.486 1.355 -9.519 856 HB3 GLU 108 HB3 GLU 108 10.449 2.076 -10.740 857 HG2 GLU 108 HG2 GLU 108 12.306 3.332 -11.635 858 HG3 GLU 108 HG3 GLU 108 13.360 2.728 -10.358 859 H LEU 109 H LEU 109 10.388 2.357 -6.903 860 HA LEU 109 HA LEU 109 7.610 2.004 -7.299 861 HB2 LEU 109 HB2 LEU 109 9.114 0.888 -5.557 862 HB3 LEU 109 HB3 LEU 109 8.913 2.348 -4.611 863 HG LEU 109 HG LEU 109 6.453 1.992 -4.651 864 HD11 LEU 109 HD11 LEU 109 6.270 0.669 -6.664 865 HD12 LEU 109 HD12 LEU 109 7.201 -0.633 -5.923 866 HD13 LEU 109 HD13 LEU 109 5.606 -0.221 -5.294 867 HD21 LEU 109 HD21 LEU 109 8.081 -0.275 -3.512 868 HD22 LEU 109 HD22 LEU 109 7.771 1.280 -2.737 869 HD23 LEU 109 HD23 LEU 109 6.441 0.160 -3.031 870 H LEU 110 H LEU 110 9.455 4.466 -5.538 871 HA LEU 110 HA LEU 110 7.339 6.123 -4.793 872 HB2 LEU 110 HB2 LEU 110 10.234 6.570 -5.330 873 HB3 LEU 110 HB3 LEU 110 9.200 7.981 -5.213 874 HG LEU 110 HG LEU 110 8.498 7.220 -2.944 875 HD11 LEU 110 HD11 LEU 110 9.797 5.507 -1.815 876 HD12 LEU 110 HD12 LEU 110 8.944 4.842 -3.208 877 HD13 LEU 110 HD13 LEU 110 10.673 5.174 -3.309 878 HD21 LEU 110 HD21 LEU 110 10.569 7.854 -1.833 879 HD22 LEU 110 HD22 LEU 110 11.466 7.580 -3.327 880 HD23 LEU 110 HD23 LEU 110 10.268 8.872 -3.241 881 H LYS 111 H LYS 111 9.083 5.881 -7.835 882 HA LYS 111 HA LYS 111 7.958 8.121 -9.114 883 HB2 LYS 111 HB2 LYS 111 9.952 6.828 -9.910 884 HB3 LYS 111 HB3 LYS 111 8.867 5.535 -10.397 885 HG2 LYS 111 HG2 LYS 111 9.399 6.798 -12.333 886 HG3 LYS 111 HG3 LYS 111 7.726 7.162 -11.906 887 HD2 LYS 111 HD2 LYS 111 8.895 9.201 -12.511 888 HD3 LYS 111 HD3 LYS 111 8.479 9.230 -10.796 889 HE2 LYS 111 HE2 LYS 111 10.748 8.577 -10.214 890 HE3 LYS 111 HE3 LYS 111 11.171 8.456 -11.921 891 HZ1 LYS 111 HZ1 LYS 111 11.921 10.536 -10.903 892 HZ2 LYS 111 HZ2 LYS 111 10.826 10.813 -12.168 893 HZ3 LYS 111 HZ3 LYS 111 10.316 10.954 -10.556 894 H LYS 112 H LYS 112 6.984 4.705 -9.042 895 HA LYS 112 HA LYS 112 4.768 4.858 -10.740 896 HB2 LYS 112 HB2 LYS 112 5.286 3.068 -8.359 897 HB3 LYS 112 HB3 LYS 112 3.955 2.835 -9.481 898 HG2 LYS 112 HG2 LYS 112 6.858 2.827 -10.267 899 HG3 LYS 112 HG3 LYS 112 5.912 1.381 -9.909 900 HD2 LYS 112 HD2 LYS 112 4.357 1.989 -11.728 901 HD3 LYS 112 HD3 LYS 112 5.378 3.379 -12.108 902 HE2 LYS 112 HE2 LYS 112 7.241 1.892 -12.598 903 HE3 LYS 112 HE3 LYS 112 6.256 0.494 -12.171 904 HZ1 LYS 112 HZ1 LYS 112 6.351 0.790 -14.550 905 HZ2 LYS 112 HZ2 LYS 112 4.765 1.039 -14.002 906 HZ3 LYS 112 HZ3 LYS 112 5.740 2.363 -14.419 907 H VAL 113 H VAL 113 4.978 5.274 -7.224 908 HA VAL 113 HA VAL 113 2.203 5.710 -6.818 909 HB VAL 113 HB VAL 113 4.495 6.670 -5.097 910 HG11 VAL 113 HG11 VAL 113 2.379 7.718 -4.536 911 HG12 VAL 113 HG12 VAL 113 1.603 6.137 -4.442 912 HG13 VAL 113 HG13 VAL 113 2.854 6.575 -3.278 913 HG21 VAL 113 HG21 VAL 113 4.660 4.268 -5.505 914 HG22 VAL 113 HG22 VAL 113 4.213 4.602 -3.831 915 HG23 VAL 113 HG23 VAL 113 2.989 4.061 -4.980 916 H LYS 114 H LYS 114 4.950 7.856 -7.303 917 HA LYS 114 HA LYS 114 3.648 10.283 -6.729 918 HB2 LYS 114 HB2 LYS 114 6.184 9.621 -7.018 919 HB3 LYS 114 HB3 LYS 114 5.908 10.129 -8.676 920 HG2 LYS 114 HG2 LYS 114 5.331 12.334 -7.966 921 HG3 LYS 114 HG3 LYS 114 5.383 11.841 -6.267 922 HD2 LYS 114 HD2 LYS 114 7.784 11.173 -6.669 923 HD3 LYS 114 HD3 LYS 114 7.664 12.002 -8.220 924 HE2 LYS 114 HE2 LYS 114 7.160 13.270 -5.539 925 HE3 LYS 114 HE3 LYS 114 8.668 13.367 -6.439 926 HZ1 LYS 114 HZ1 LYS 114 6.056 14.580 -7.077 927 HZ2 LYS 114 HZ2 LYS 114 7.583 15.318 -6.995 928 HZ3 LYS 114 HZ3 LYS 114 7.194 14.309 -8.302 929 H LEU 115 H LEU 115 4.298 8.632 -9.815 930 HA LEU 115 HA LEU 115 2.940 10.641 -11.356 931 HB2 LEU 115 HB2 LEU 115 3.838 7.855 -12.099 932 HB3 LEU 115 HB3 LEU 115 3.192 9.029 -13.228 933 HG LEU 115 HG LEU 115 5.759 9.305 -11.662 934 HD11 LEU 115 HD11 LEU 115 6.836 9.111 -13.837 935 HD12 LEU 115 HD12 LEU 115 5.873 7.674 -13.489 936 HD13 LEU 115 HD13 LEU 115 5.265 8.893 -14.608 937 HD21 LEU 115 HD21 LEU 115 4.527 11.134 -13.722 938 HD22 LEU 115 HD22 LEU 115 4.637 11.460 -11.992 939 HD23 LEU 115 HD23 LEU 115 6.105 11.337 -12.961 940 H GLY 116 H GLY 116 1.998 7.884 -9.579 941 HA2 GLY 116 HA2 GLY 116 -0.416 7.326 -11.016 942 HA3 GLY 116 HA3 GLY 116 0.012 6.722 -9.421 943 H VAL 117 H VAL 117 0.471 9.407 -8.349 944 HA VAL 117 HA VAL 117 -2.341 10.128 -7.949 945 HB VAL 117 HB VAL 117 -1.605 11.340 -5.962 946 HG11 VAL 117 HG11 VAL 117 -2.182 8.996 -5.727 947 HG12 VAL 117 HG12 VAL 117 -0.522 8.531 -6.097 948 HG13 VAL 117 HG13 VAL 117 -0.878 9.422 -4.616 949 HG21 VAL 117 HG21 VAL 117 0.591 12.063 -6.715 950 HG22 VAL 117 HG22 VAL 117 0.718 11.196 -5.183 951 HG23 VAL 117 HG23 VAL 117 1.165 10.397 -6.690 952 H GLU 118 H GLU 118 0.085 11.029 -9.916 953 HA GLU 118 HA GLU 118 -0.564 13.890 -9.818 954 HB2 GLU 118 HB2 GLU 118 1.839 13.247 -9.743 955 HB3 GLU 118 HB3 GLU 118 1.657 12.542 -11.344 956 HG2 GLU 118 HG2 GLU 118 2.631 14.778 -11.410 957 HG3 GLU 118 HG3 GLU 118 1.105 14.694 -12.278 958 H SER 119 H SER 119 -1.357 14.945 -11.611 959 HA SER 119 HA SER 119 -2.782 13.224 -13.467 960 HB2 SER 119 HB2 SER 119 -2.846 16.243 -13.240 961 HB3 SER 119 HB3 SER 119 -3.998 15.221 -14.101 962 HG SER 119 HG SER 119 -3.882 14.296 -11.650 963 H GLU 120 H GLU 120 -0.881 12.468 -14.565 964 HA GLU 120 HA GLU 120 0.865 14.134 -16.012 965 HB2 GLU 120 HB2 GLU 120 0.056 11.252 -16.353 966 HB3 GLU 120 HB3 GLU 120 1.237 12.024 -17.401 967 HG2 GLU 120 HG2 GLU 120 1.469 11.784 -14.410 968 HG3 GLU 120 HG3 GLU 120 2.269 10.738 -15.584 969 H GLY 121 H GLY 121 0.748 15.058 -17.974 970 HA2 GLY 121 HA2 GLY 121 -0.221 14.850 -20.273 971 HA3 GLY 121 HA3 GLY 121 -1.774 14.698 -19.459 Start of MODEL 15 1 H ALA 1 H ALA 1 16.136 -0.072 21.129 2 HA ALA 1 HA ALA 1 14.953 -1.978 20.305 3 HB1 ALA 1 HB1 ALA 1 13.637 -0.108 21.151 4 HB2 ALA 1 HB2 ALA 1 13.634 0.629 19.550 5 HB3 ALA 1 HB3 ALA 1 12.802 -0.905 19.818 6 H GLN 2 H GLN 2 13.912 -3.056 18.543 7 HA GLN 2 HA GLN 2 15.149 -2.401 15.975 8 HB2 GLN 2 HB2 GLN 2 13.708 -4.911 16.857 9 HB3 GLN 2 HB3 GLN 2 14.474 -4.676 15.291 10 HG2 GLN 2 HG2 GLN 2 15.850 -4.726 17.967 11 HG3 GLN 2 HG3 GLN 2 15.881 -5.994 16.743 12 HE21 GLN 2 HE21 GLN 2 17.107 -5.693 14.870 13 HE22 GLN 2 HE22 GLN 2 18.343 -4.476 14.774 14 H ALA 3 H ALA 3 13.777 -0.640 15.524 15 HA ALA 3 HA ALA 3 11.017 -1.391 14.811 16 HB1 ALA 3 HB1 ALA 3 12.067 1.348 15.526 17 HB2 ALA 3 HB2 ALA 3 10.395 0.934 15.145 18 HB3 ALA 3 HB3 ALA 3 11.153 0.292 16.602 19 H ASP 4 H ASP 4 13.919 -1.045 13.516 20 HA ASP 4 HA ASP 4 13.578 0.680 11.318 21 HB2 ASP 4 HB2 ASP 4 15.746 -0.368 12.166 22 HB3 ASP 4 HB3 ASP 4 15.259 -1.837 11.327 23 H GLY 5 H GLY 5 12.397 0.475 9.542 24 HA2 GLY 5 HA2 GLY 5 11.680 -1.177 7.761 25 HA3 GLY 5 HA3 GLY 5 11.010 -2.085 9.110 26 H ILE 6 H ILE 6 9.616 -0.904 6.788 27 HA ILE 6 HA ILE 6 8.217 1.419 7.626 28 HB ILE 6 HB ILE 6 7.312 -0.646 5.613 29 HG12 ILE 6 HG12 ILE 6 8.894 1.903 5.217 30 HG13 ILE 6 HG13 ILE 6 9.518 0.266 5.041 31 HG21 ILE 6 HG21 ILE 6 5.962 1.200 4.700 32 HG22 ILE 6 HG22 ILE 6 5.507 0.798 6.357 33 HG23 ILE 6 HG23 ILE 6 6.490 2.227 6.035 34 HD11 ILE 6 HD11 ILE 6 7.349 1.493 3.352 35 HD12 ILE 6 HD12 ILE 6 9.040 1.310 2.886 36 HD13 ILE 6 HD13 ILE 6 8.043 -0.118 3.159 37 H ALA 7 H ALA 7 6.585 1.623 9.012 38 HA ALA 7 HA ALA 7 5.504 -0.788 10.232 39 HB1 ALA 7 HB1 ALA 7 5.056 2.105 10.964 40 HB2 ALA 7 HB2 ALA 7 4.566 0.699 11.910 41 HB3 ALA 7 HB3 ALA 7 6.280 1.045 11.667 42 H PHE 8 H PHE 8 4.263 -1.477 8.394 43 HA PHE 8 HA PHE 8 2.024 0.035 7.493 44 HB2 PHE 8 HB2 PHE 8 2.942 -2.788 7.168 45 HB3 PHE 8 HB3 PHE 8 1.258 -2.414 6.820 46 HD1 PHE 8 HD1 PHE 8 0.678 -0.859 5.021 47 HD2 PHE 8 HD2 PHE 8 4.697 -2.064 5.722 48 HE1 PHE 8 HE1 PHE 8 1.307 -0.042 2.788 49 HE2 PHE 8 HE2 PHE 8 5.333 -1.252 3.490 50 HZ PHE 8 HZ PHE 8 3.638 -0.239 2.019 51 H ARG 9 H ARG 9 0.183 0.375 8.477 52 HA ARG 9 HA ARG 9 -0.277 -0.940 11.047 53 HB2 ARG 9 HB2 ARG 9 -1.804 1.397 9.905 54 HB3 ARG 9 HB3 ARG 9 -1.605 0.945 11.596 55 HG2 ARG 9 HG2 ARG 9 0.680 1.622 11.592 56 HG3 ARG 9 HG3 ARG 9 0.671 1.839 9.843 57 HD2 ARG 9 HD2 ARG 9 -1.203 3.566 10.321 58 HD3 ARG 9 HD3 ARG 9 -0.573 3.541 11.968 59 HE ARG 9 HE ARG 9 1.374 3.971 9.854 60 HH11 ARG 9 HH11 ARG 9 -0.619 5.383 12.361 61 HH12 ARG 9 HH12 ARG 9 0.198 6.912 12.319 62 HH21 ARG 9 HH21 ARG 9 2.449 5.980 9.798 63 HH22 ARG 9 HH22 ARG 9 1.941 7.258 10.873 64 H GLU 10 H GLU 10 -1.786 -2.483 11.245 65 HA GLU 10 HA GLU 10 -3.655 -2.829 9.026 66 HB2 GLU 10 HB2 GLU 10 -4.017 -5.117 10.213 67 HB3 GLU 10 HB3 GLU 10 -2.577 -4.851 9.242 68 HG2 GLU 10 HG2 GLU 10 -1.333 -4.328 11.319 69 HG3 GLU 10 HG3 GLU 10 -2.779 -4.737 12.243 70 H LEU 11 H LEU 11 -5.259 -1.463 9.469 71 HA LEU 11 HA LEU 11 -6.770 -1.836 11.957 72 HB2 LEU 11 HB2 LEU 11 -6.785 0.446 9.976 73 HB3 LEU 11 HB3 LEU 11 -7.756 0.355 11.424 74 HG LEU 11 HG LEU 11 -4.743 0.504 11.364 75 HD11 LEU 11 HD11 LEU 11 -6.795 2.590 12.085 76 HD12 LEU 11 HD12 LEU 11 -5.045 2.762 12.228 77 HD13 LEU 11 HD13 LEU 11 -5.785 2.579 10.637 78 HD21 LEU 11 HD21 LEU 11 -5.548 -0.719 13.297 79 HD22 LEU 11 HD22 LEU 11 -4.943 0.865 13.779 80 HD23 LEU 11 HD23 LEU 11 -6.680 0.581 13.672 81 H SER 12 H SER 12 -9.197 -1.546 11.618 82 HA SER 12 HA SER 12 -10.160 -3.302 9.601 83 HB2 SER 12 HB2 SER 12 -11.728 -1.293 11.239 84 HB3 SER 12 HB3 SER 12 -12.379 -2.703 10.404 85 HG SER 12 HG SER 12 -10.459 -3.613 11.937 86 H PHE 13 H PHE 13 -11.408 -2.808 7.724 87 HA PHE 13 HA PHE 13 -10.286 -0.773 6.180 88 HB2 PHE 13 HB2 PHE 13 -11.293 -2.795 5.211 89 HB3 PHE 13 HB3 PHE 13 -12.892 -2.222 5.673 90 HD1 PHE 13 HD1 PHE 13 -9.961 -1.447 3.551 91 HD2 PHE 13 HD2 PHE 13 -14.091 -0.745 4.298 92 HE1 PHE 13 HE1 PHE 13 -10.135 -0.225 1.424 93 HE2 PHE 13 HE2 PHE 13 -14.272 0.478 2.170 94 HZ PHE 13 HZ PHE 13 -12.291 0.740 0.731 95 HA PRO 14 HA PRO 14 -14.443 1.772 6.642 96 HB2 PRO 14 HB2 PRO 14 -15.687 1.334 9.077 97 HB3 PRO 14 HB3 PRO 14 -16.229 0.678 7.530 98 HG2 PRO 14 HG2 PRO 14 -14.599 -0.618 9.676 99 HG3 PRO 14 HG3 PRO 14 -15.898 -1.306 8.684 100 HD2 PRO 14 HD2 PRO 14 -13.331 -1.835 8.161 101 HD3 PRO 14 HD3 PRO 14 -14.508 -1.605 6.849 102 H GLU 15 H GLU 15 -12.774 0.772 9.585 103 HA GLU 15 HA GLU 15 -12.727 3.253 10.887 104 HB2 GLU 15 HB2 GLU 15 -10.886 0.871 11.049 105 HB3 GLU 15 HB3 GLU 15 -10.781 2.255 12.125 106 HG2 GLU 15 HG2 GLU 15 -13.098 0.355 11.841 107 HG3 GLU 15 HG3 GLU 15 -11.979 0.467 13.200 108 H ALA 16 H ALA 16 -10.304 1.646 8.842 109 HA ALA 16 HA ALA 16 -8.365 3.663 9.081 110 HB1 ALA 16 HB1 ALA 16 -7.287 2.593 7.152 111 HB2 ALA 16 HB2 ALA 16 -7.814 1.410 8.350 112 HB3 ALA 16 HB3 ALA 16 -8.747 1.643 6.870 113 H LEU 17 H LEU 17 -10.964 3.133 6.772 114 HA LEU 17 HA LEU 17 -10.347 5.224 4.976 115 HB2 LEU 17 HB2 LEU 17 -11.980 3.317 4.652 116 HB3 LEU 17 HB3 LEU 17 -13.094 4.194 5.671 117 HG LEU 17 HG LEU 17 -13.128 6.051 4.057 118 HD11 LEU 17 HD11 LEU 17 -12.116 5.770 1.852 119 HD12 LEU 17 HD12 LEU 17 -10.892 5.775 3.124 120 HD13 LEU 17 HD13 LEU 17 -11.383 4.253 2.378 121 HD21 LEU 17 HD21 LEU 17 -13.724 3.354 2.851 122 HD22 LEU 17 HD22 LEU 17 -14.794 4.281 3.902 123 HD23 LEU 17 HD23 LEU 17 -14.378 4.897 2.304 124 H LYS 18 H LYS 18 -12.393 5.027 7.821 125 HA LYS 18 HA LYS 18 -13.377 7.639 7.914 126 HB2 LYS 18 HB2 LYS 18 -14.043 5.681 9.372 127 HB3 LYS 18 HB3 LYS 18 -12.572 5.954 10.293 128 HG2 LYS 18 HG2 LYS 18 -14.271 7.001 11.514 129 HG3 LYS 18 HG3 LYS 18 -13.427 8.308 10.681 130 HD2 LYS 18 HD2 LYS 18 -15.155 8.329 8.951 131 HD3 LYS 18 HD3 LYS 18 -15.990 7.004 9.762 132 HE2 LYS 18 HE2 LYS 18 -17.071 9.094 10.295 133 HE3 LYS 18 HE3 LYS 18 -16.300 8.441 11.738 134 HZ1 LYS 18 HZ1 LYS 18 -14.943 10.436 10.028 135 HZ2 LYS 18 HZ2 LYS 18 -16.019 10.906 11.251 136 HZ3 LYS 18 HZ3 LYS 18 -14.616 10.038 11.647 137 H ARG 19 H ARG 19 -10.490 6.251 9.418 138 HA ARG 19 HA ARG 19 -9.440 8.547 10.565 139 HB2 ARG 19 HB2 ARG 19 -8.511 6.525 11.274 140 HB3 ARG 19 HB3 ARG 19 -8.272 5.952 9.636 141 HG2 ARG 19 HG2 ARG 19 -6.153 6.428 10.545 142 HG3 ARG 19 HG3 ARG 19 -6.534 7.657 9.341 143 HD2 ARG 19 HD2 ARG 19 -5.542 8.692 11.265 144 HD3 ARG 19 HD3 ARG 19 -7.228 9.178 11.150 145 HE ARG 19 HE ARG 19 -7.382 7.091 12.822 146 HH11 ARG 19 HH11 ARG 19 -5.238 9.884 12.784 147 HH12 ARG 19 HH12 ARG 19 -5.033 9.888 14.516 148 HH21 ARG 19 HH21 ARG 19 -7.097 7.104 15.088 149 HH22 ARG 19 HH22 ARG 19 -6.072 8.305 15.822 150 H ALA 20 H ALA 20 -8.853 7.157 7.340 151 HA ALA 20 HA ALA 20 -6.825 8.852 6.493 152 HB1 ALA 20 HB1 ALA 20 -9.031 7.676 4.802 153 HB2 ALA 20 HB2 ALA 20 -7.477 8.272 4.219 154 HB3 ALA 20 HB3 ALA 20 -7.541 6.854 5.265 155 H GLU 21 H GLU 21 -10.317 9.347 6.448 156 HA GLU 21 HA GLU 21 -10.242 11.732 4.913 157 HB2 GLU 21 HB2 GLU 21 -12.262 10.434 4.985 158 HB3 GLU 21 HB3 GLU 21 -12.361 10.593 6.735 159 HG2 GLU 21 HG2 GLU 21 -12.846 12.916 6.569 160 HG3 GLU 21 HG3 GLU 21 -12.513 12.919 4.839 161 H VAL 22 H VAL 22 -10.445 11.157 8.433 162 HA VAL 22 HA VAL 22 -10.575 13.970 8.987 163 HB VAL 22 HB VAL 22 -10.283 13.353 11.360 164 HG11 VAL 22 HG11 VAL 22 -12.313 11.697 9.869 165 HG12 VAL 22 HG12 VAL 22 -12.374 12.095 11.585 166 HG13 VAL 22 HG13 VAL 22 -12.505 13.375 10.378 167 HG21 VAL 22 HG21 VAL 22 -8.792 11.455 11.144 168 HG22 VAL 22 HG22 VAL 22 -10.260 10.968 11.994 169 HG23 VAL 22 HG23 VAL 22 -10.039 10.539 10.296 170 H GLU 23 H GLU 23 -8.060 11.607 8.668 171 HA GLU 23 HA GLU 23 -5.976 13.231 9.798 172 HB2 GLU 23 HB2 GLU 23 -6.075 10.646 9.509 173 HB3 GLU 23 HB3 GLU 23 -5.553 10.963 7.864 174 HG2 GLU 23 HG2 GLU 23 -3.643 10.415 9.177 175 HG3 GLU 23 HG3 GLU 23 -3.566 12.128 8.768 176 H ASP 24 H ASP 24 -7.648 13.032 6.850 177 HA ASP 24 HA ASP 24 -7.502 14.050 4.839 178 HB2 ASP 24 HB2 ASP 24 -7.306 16.071 6.366 179 HB3 ASP 24 HB3 ASP 24 -5.562 15.978 6.134 180 H LYS 25 H LYS 25 -6.120 11.855 4.924 181 HA LYS 25 HA LYS 25 -3.688 12.437 3.388 182 HB2 LYS 25 HB2 LYS 25 -3.896 10.401 5.626 183 HB3 LYS 25 HB3 LYS 25 -2.529 10.549 4.520 184 HG2 LYS 25 HG2 LYS 25 -3.451 12.711 6.403 185 HG3 LYS 25 HG3 LYS 25 -2.137 11.578 6.727 186 HD2 LYS 25 HD2 LYS 25 -0.853 12.438 4.905 187 HD3 LYS 25 HD3 LYS 25 -2.210 13.413 4.338 188 HE2 LYS 25 HE2 LYS 25 -0.793 13.767 6.977 189 HE3 LYS 25 HE3 LYS 25 -0.515 14.743 5.534 190 HZ1 LYS 25 HZ1 LYS 25 -2.022 15.855 7.036 191 HZ2 LYS 25 HZ2 LYS 25 -2.837 15.434 5.615 192 HZ3 LYS 25 HZ3 LYS 25 -3.074 14.529 7.026 193 H LEU 26 H LEU 26 -3.145 10.799 1.874 194 HA LEU 26 HA LEU 26 -5.294 9.381 0.729 195 HB2 LEU 26 HB2 LEU 26 -2.312 9.043 0.386 196 HB3 LEU 26 HB3 LEU 26 -3.505 8.216 -0.593 197 HG LEU 26 HG LEU 26 -3.265 11.219 -0.448 198 HD11 LEU 26 HD11 LEU 26 -2.151 11.066 -2.618 199 HD12 LEU 26 HD12 LEU 26 -1.219 10.244 -1.367 200 HD13 LEU 26 HD13 LEU 26 -2.175 9.306 -2.513 201 HD21 LEU 26 HD21 LEU 26 -4.695 9.382 -2.368 202 HD22 LEU 26 HD22 LEU 26 -5.458 10.371 -1.123 203 HD23 LEU 26 HD23 LEU 26 -4.625 11.141 -2.473 204 H LEU 27 H LEU 27 -5.928 7.262 0.880 205 HA LEU 27 HA LEU 27 -4.830 5.765 3.130 206 HB2 LEU 27 HB2 LEU 27 -7.272 5.978 2.943 207 HB3 LEU 27 HB3 LEU 27 -7.227 5.195 1.379 208 HG LEU 27 HG LEU 27 -6.379 3.130 2.470 209 HD11 LEU 27 HD11 LEU 27 -6.904 4.653 5.018 210 HD12 LEU 27 HD12 LEU 27 -6.501 2.940 4.903 211 HD13 LEU 27 HD13 LEU 27 -5.325 4.158 4.410 212 HD21 LEU 27 HD21 LEU 27 -8.755 3.394 2.016 213 HD22 LEU 27 HD22 LEU 27 -8.505 2.511 3.524 214 HD23 LEU 27 HD23 LEU 27 -8.975 4.210 3.563 215 H PHE 28 H PHE 28 -2.982 4.812 2.556 216 HA PHE 28 HA PHE 28 -2.765 3.514 -0.045 217 HB2 PHE 28 HB2 PHE 28 -0.899 4.920 0.710 218 HB3 PHE 28 HB3 PHE 28 -0.711 3.919 2.143 219 HD1 PHE 28 HD1 PHE 28 -0.487 3.896 -1.549 220 HD2 PHE 28 HD2 PHE 28 0.599 1.977 2.091 221 HE1 PHE 28 HE1 PHE 28 1.073 2.449 -2.782 222 HE2 PHE 28 HE2 PHE 28 2.164 0.529 0.865 223 HZ PHE 28 HZ PHE 28 2.399 0.760 -1.575 224 H VAL 29 H VAL 29 -3.604 1.549 -0.143 225 HA VAL 29 HA VAL 29 -3.485 -0.169 2.239 226 HB VAL 29 HB VAL 29 -5.193 -0.524 -0.229 227 HG11 VAL 29 HG11 VAL 29 -6.460 -2.095 1.161 228 HG12 VAL 29 HG12 VAL 29 -4.781 -2.600 0.975 229 HG13 VAL 29 HG13 VAL 29 -5.313 -1.849 2.478 230 HG21 VAL 29 HG21 VAL 29 -5.787 1.533 0.954 231 HG22 VAL 29 HG22 VAL 29 -7.052 0.315 1.111 232 HG23 VAL 29 HG23 VAL 29 -5.956 0.624 2.456 233 H ASP 30 H ASP 30 -2.086 -1.758 2.291 234 HA ASP 30 HA ASP 30 -0.913 -2.776 -0.195 235 HB2 ASP 30 HB2 ASP 30 0.765 -2.179 1.382 236 HB3 ASP 30 HB3 ASP 30 -0.090 -2.967 2.705 237 H CYS 31 H CYS 31 -1.845 -4.502 -1.043 238 HA CYS 31 HA CYS 31 -2.747 -6.637 0.781 239 HB2 CYS 31 HB2 CYS 31 -3.866 -5.952 -1.953 240 HB3 CYS 31 HB3 CYS 31 -4.390 -7.295 -0.939 241 HG CYS 31 HG CYS 31 -4.630 -4.635 0.889 242 H PHE 32 H PHE 32 -1.306 -8.252 0.697 243 HA PHE 32 HA PHE 32 0.148 -8.642 -1.826 244 HB2 PHE 32 HB2 PHE 32 2.007 -9.528 -0.492 245 HB3 PHE 32 HB3 PHE 32 1.601 -7.886 -0.010 246 HD1 PHE 32 HD1 PHE 32 0.380 -7.500 2.119 247 HD2 PHE 32 HD2 PHE 32 1.862 -11.334 1.018 248 HE1 PHE 32 HE1 PHE 32 0.190 -8.243 4.456 249 HE2 PHE 32 HE2 PHE 32 1.673 -12.083 3.352 250 HZ PHE 32 HZ PHE 32 0.835 -10.537 5.074 251 H THR 33 H THR 33 0.675 -10.736 -2.479 252 HA THR 33 HA THR 33 -1.153 -12.812 -1.502 253 HB THR 33 HB THR 33 0.594 -12.783 -3.980 254 HG1 THR 33 HG1 THR 33 -2.016 -11.867 -3.454 255 HG21 THR 33 HG21 THR 33 -0.025 -15.043 -3.250 256 HG22 THR 33 HG22 THR 33 -1.723 -14.573 -3.233 257 HG23 THR 33 HG23 THR 33 -0.836 -14.610 -4.756 258 H THR 34 H THR 34 -0.387 -14.876 -0.899 259 HA THR 34 HA THR 34 2.093 -14.924 0.495 260 HB THR 34 HB THR 34 1.497 -17.423 0.724 261 HG1 THR 34 HG1 THR 34 0.045 -17.548 -1.039 262 HG21 THR 34 HG21 THR 34 -0.186 -16.934 2.418 263 HG22 THR 34 HG22 THR 34 1.114 -15.744 2.471 264 HG23 THR 34 HG23 THR 34 -0.432 -15.330 1.729 265 H TRP 35 H TRP 35 2.016 -14.769 -2.582 266 HA TRP 35 HA TRP 35 3.193 -17.132 -3.594 267 HB2 TRP 35 HB2 TRP 35 2.011 -15.271 -4.882 268 HB3 TRP 35 HB3 TRP 35 3.505 -14.354 -4.735 269 HD1 TRP 35 HD1 TRP 35 2.863 -18.040 -5.780 270 HE1 TRP 35 HE1 TRP 35 4.057 -18.445 -8.024 271 HE3 TRP 35 HE3 TRP 35 4.742 -13.344 -6.552 272 HZ2 TRP 35 HZ2 TRP 35 5.591 -16.961 -9.873 273 HZ3 TRP 35 HZ3 TRP 35 6.061 -12.924 -8.587 274 HH2 TRP 35 HH2 TRP 35 6.476 -14.694 -10.210 275 H CYS 36 H CYS 36 4.403 -14.390 -1.886 276 HA CYS 36 HA CYS 36 6.415 -13.874 -0.980 277 HB2 CYS 36 HB2 CYS 36 6.894 -16.810 -1.483 278 HB3 CYS 36 HB3 CYS 36 7.981 -15.783 -0.554 279 HG CYS 36 HG CYS 36 5.301 -15.146 0.921 280 H GLY 37 H GLY 37 6.062 -13.588 -3.884 281 HA2 GLY 37 HA2 GLY 37 8.782 -13.948 -4.885 282 HA3 GLY 37 HA3 GLY 37 7.405 -13.350 -5.801 283 HA PRO 38 HA PRO 38 9.231 -9.305 -5.464 284 HB2 PRO 38 HB2 PRO 38 6.405 -8.462 -5.820 285 HB3 PRO 38 HB3 PRO 38 7.846 -7.982 -6.722 286 HG2 PRO 38 HG2 PRO 38 6.072 -9.666 -7.776 287 HG3 PRO 38 HG3 PRO 38 7.812 -9.874 -8.049 288 HD2 PRO 38 HD2 PRO 38 5.983 -11.384 -6.235 289 HD3 PRO 38 HD3 PRO 38 7.364 -11.963 -7.187 290 H CYS 39 H CYS 39 6.338 -10.291 -3.689 291 HA CYS 39 HA CYS 39 6.048 -8.129 -1.970 292 HB2 CYS 39 HB2 CYS 39 5.559 -11.052 -1.360 293 HB3 CYS 39 HB3 CYS 39 4.913 -9.694 -0.444 294 HG CYS 39 HG CYS 39 3.099 -8.878 -2.234 295 H LYS 40 H LYS 40 8.067 -11.033 -1.557 296 HA LYS 40 HA LYS 40 8.887 -10.241 1.071 297 HB2 LYS 40 HB2 LYS 40 8.714 -12.621 0.383 298 HB3 LYS 40 HB3 LYS 40 10.065 -12.377 -0.717 299 HG2 LYS 40 HG2 LYS 40 11.535 -11.886 1.123 300 HG3 LYS 40 HG3 LYS 40 10.193 -11.974 2.260 301 HD2 LYS 40 HD2 LYS 40 9.893 -14.353 1.675 302 HD3 LYS 40 HD3 LYS 40 11.289 -14.243 0.599 303 HE2 LYS 40 HE2 LYS 40 12.718 -13.677 2.474 304 HE3 LYS 40 HE3 LYS 40 11.333 -13.688 3.563 305 HZ1 LYS 40 HZ1 LYS 40 12.405 -16.025 2.078 306 HZ2 LYS 40 HZ2 LYS 40 12.567 -15.736 3.739 307 HZ3 LYS 40 HZ3 LYS 40 11.038 -16.051 3.076 308 H ARG 41 H ARG 41 10.284 -10.069 -2.165 309 HA ARG 41 HA ARG 41 12.813 -9.140 -1.267 310 HB2 ARG 41 HB2 ARG 41 11.473 -9.003 -3.965 311 HB3 ARG 41 HB3 ARG 41 13.111 -8.447 -3.663 312 HG2 ARG 41 HG2 ARG 41 13.540 -10.797 -2.750 313 HG3 ARG 41 HG3 ARG 41 12.035 -11.232 -3.563 314 HD2 ARG 41 HD2 ARG 41 14.352 -9.887 -4.935 315 HD3 ARG 41 HD3 ARG 41 14.139 -11.630 -4.874 316 HE ARG 41 HE ARG 41 12.134 -9.847 -6.110 317 HH11 ARG 41 HH11 ARG 41 14.152 -12.699 -6.126 318 HH12 ARG 41 HH12 ARG 41 13.620 -13.244 -7.685 319 HH21 ARG 41 HH21 ARG 41 11.383 -10.568 -8.166 320 HH22 ARG 41 HH22 ARG 41 12.043 -12.028 -8.851 321 H LEU 42 H LEU 42 9.802 -7.584 -2.191 322 HA LEU 42 HA LEU 42 10.705 -4.920 -2.154 323 HB2 LEU 42 HB2 LEU 42 8.487 -5.646 -2.987 324 HB3 LEU 42 HB3 LEU 42 8.000 -6.003 -1.342 325 HG LEU 42 HG LEU 42 8.351 -3.579 -0.797 326 HD11 LEU 42 HD11 LEU 42 8.441 -2.000 -2.657 327 HD12 LEU 42 HD12 LEU 42 9.867 -3.038 -2.620 328 HD13 LEU 42 HD13 LEU 42 8.586 -3.343 -3.790 329 HD21 LEU 42 HD21 LEU 42 6.329 -4.244 -2.934 330 HD22 LEU 42 HD22 LEU 42 6.129 -4.470 -1.196 331 HD23 LEU 42 HD23 LEU 42 6.264 -2.844 -1.864 332 H SER 43 H SER 43 9.425 -7.022 0.377 333 HA SER 43 HA SER 43 9.454 -5.182 2.491 334 HB2 SER 43 HB2 SER 43 9.841 -8.183 2.624 335 HB3 SER 43 HB3 SER 43 9.350 -7.139 3.958 336 HG SER 43 HG SER 43 7.896 -7.486 1.536 337 H LYS 44 H LYS 44 11.970 -7.093 1.048 338 HA LYS 44 HA LYS 44 13.834 -6.781 3.205 339 HB2 LYS 44 HB2 LYS 44 13.795 -8.721 1.626 340 HB3 LYS 44 HB3 LYS 44 14.344 -7.642 0.354 341 HG2 LYS 44 HG2 LYS 44 16.388 -7.195 1.650 342 HG3 LYS 44 HG3 LYS 44 15.838 -8.346 2.869 343 HD2 LYS 44 HD2 LYS 44 15.787 -10.100 1.114 344 HD3 LYS 44 HD3 LYS 44 16.468 -8.933 -0.021 345 HE2 LYS 44 HE2 LYS 44 17.756 -9.838 2.552 346 HE3 LYS 44 HE3 LYS 44 18.178 -10.414 0.941 347 HZ1 LYS 44 HZ1 LYS 44 18.298 -7.539 1.626 348 HZ2 LYS 44 HZ2 LYS 44 19.591 -8.580 1.954 349 HZ3 LYS 44 HZ3 LYS 44 19.071 -8.360 0.355 350 H VAL 45 H VAL 45 12.913 -4.880 0.481 351 HA VAL 45 HA VAL 45 15.461 -3.421 0.581 352 HB VAL 45 HB VAL 45 13.407 -3.470 -1.631 353 HG11 VAL 45 HG11 VAL 45 16.119 -2.154 -1.522 354 HG12 VAL 45 HG12 VAL 45 15.062 -2.227 -2.933 355 HG13 VAL 45 HG13 VAL 45 14.564 -1.323 -1.503 356 HG21 VAL 45 HG21 VAL 45 16.157 -4.699 -1.444 357 HG22 VAL 45 HG22 VAL 45 14.623 -5.570 -1.442 358 HG23 VAL 45 HG23 VAL 45 15.136 -4.692 -2.883 359 H VAL 46 H VAL 46 11.940 -2.771 0.247 360 HA VAL 46 HA VAL 46 12.462 0.060 0.450 361 HB VAL 46 HB VAL 46 10.663 -0.873 -1.029 362 HG11 VAL 46 HG11 VAL 46 8.487 -1.393 -0.046 363 HG12 VAL 46 HG12 VAL 46 9.730 -2.531 0.475 364 HG13 VAL 46 HG13 VAL 46 9.189 -1.257 1.567 365 HG21 VAL 46 HG21 VAL 46 9.048 0.926 -0.552 366 HG22 VAL 46 HG22 VAL 46 9.840 1.198 1.001 367 HG23 VAL 46 HG23 VAL 46 10.721 1.481 -0.500 368 H PHE 47 H PHE 47 11.314 -2.461 2.597 369 HA PHE 47 HA PHE 47 10.352 -0.736 4.643 370 HB2 PHE 47 HB2 PHE 47 11.253 -3.614 4.640 371 HB3 PHE 47 HB3 PHE 47 10.757 -2.800 6.118 372 HD1 PHE 47 HD1 PHE 47 9.461 -3.190 2.627 373 HD2 PHE 47 HD2 PHE 47 8.631 -3.207 6.798 374 HE1 PHE 47 HE1 PHE 47 7.115 -3.757 2.152 375 HE2 PHE 47 HE2 PHE 47 6.284 -3.776 6.333 376 HZ PHE 47 HZ PHE 47 5.522 -4.053 4.007 377 H LYS 48 H LYS 48 13.467 -1.833 3.674 378 HA LYS 48 HA LYS 48 14.805 -1.530 6.158 379 HB2 LYS 48 HB2 LYS 48 15.580 -2.986 4.314 380 HB3 LYS 48 HB3 LYS 48 15.915 -1.556 3.350 381 HG2 LYS 48 HG2 LYS 48 17.508 -0.843 5.159 382 HG3 LYS 48 HG3 LYS 48 17.285 -2.446 5.866 383 HD2 LYS 48 HD2 LYS 48 18.090 -3.481 3.815 384 HD3 LYS 48 HD3 LYS 48 18.243 -1.897 3.056 385 HE2 LYS 48 HE2 LYS 48 20.416 -2.541 3.753 386 HE3 LYS 48 HE3 LYS 48 19.867 -1.295 4.873 387 HZ1 LYS 48 HZ1 LYS 48 19.319 -2.998 6.473 388 HZ2 LYS 48 HZ2 LYS 48 19.772 -4.217 5.382 389 HZ3 LYS 48 HZ3 LYS 48 20.939 -3.150 6.003 390 H ASP 49 H ASP 49 13.909 0.614 3.611 391 HA ASP 49 HA ASP 49 15.854 2.613 4.401 392 HB2 ASP 49 HB2 ASP 49 15.196 2.144 1.974 393 HB3 ASP 49 HB3 ASP 49 13.689 2.982 2.339 394 H SER 50 H SER 50 15.401 3.727 6.167 395 HA SER 50 HA SER 50 12.774 4.028 7.208 396 HB2 SER 50 HB2 SER 50 15.337 5.449 7.972 397 HB3 SER 50 HB3 SER 50 13.850 5.434 8.921 398 HG SER 50 HG SER 50 14.380 2.922 8.411 399 H LEU 51 H LEU 51 14.819 6.018 5.185 400 HA LEU 51 HA LEU 51 13.427 8.456 5.532 401 HB2 LEU 51 HB2 LEU 51 15.278 7.390 3.421 402 HB3 LEU 51 HB3 LEU 51 14.430 8.895 3.157 403 HG LEU 51 HG LEU 51 16.655 9.358 3.951 404 HD11 LEU 51 HD11 LEU 51 14.906 10.874 4.675 405 HD12 LEU 51 HD12 LEU 51 14.604 9.874 6.098 406 HD13 LEU 51 HD13 LEU 51 16.144 10.716 5.921 407 HD21 LEU 51 HD21 LEU 51 17.119 7.273 5.103 408 HD22 LEU 51 HD22 LEU 51 17.406 8.646 6.174 409 HD23 LEU 51 HD23 LEU 51 15.942 7.679 6.353 410 H VAL 52 H VAL 52 13.167 5.848 3.140 411 HA VAL 52 HA VAL 52 11.004 7.022 1.717 412 HB VAL 52 HB VAL 52 11.824 4.113 1.888 413 HG11 VAL 52 HG11 VAL 52 10.048 5.516 -0.107 414 HG12 VAL 52 HG12 VAL 52 10.584 3.839 -0.203 415 HG13 VAL 52 HG13 VAL 52 9.527 4.351 1.110 416 HG21 VAL 52 HG21 VAL 52 12.954 4.532 -0.238 417 HG22 VAL 52 HG22 VAL 52 12.488 6.232 -0.156 418 HG23 VAL 52 HG23 VAL 52 13.599 5.563 1.041 419 H ALA 53 H ALA 53 11.195 4.761 4.424 420 HA ALA 53 HA ALA 53 8.507 4.070 4.662 421 HB1 ALA 53 HB1 ALA 53 10.305 3.009 5.940 422 HB2 ALA 53 HB2 ALA 53 10.495 4.482 6.891 423 HB3 ALA 53 HB3 ALA 53 8.998 3.557 6.990 424 H ASP 54 H ASP 54 10.264 6.734 6.225 425 HA ASP 54 HA ASP 54 7.997 7.871 7.473 426 HB2 ASP 54 HB2 ASP 54 10.792 8.754 6.947 427 HB3 ASP 54 HB3 ASP 54 9.610 9.982 7.388 428 H TYR 55 H TYR 55 9.488 8.348 4.336 429 HA TYR 55 HA TYR 55 8.168 10.692 3.568 430 HB2 TYR 55 HB2 TYR 55 10.070 9.613 2.352 431 HB3 TYR 55 HB3 TYR 55 8.950 8.388 1.767 432 HD1 TYR 55 HD1 TYR 55 9.723 12.005 1.682 433 HD2 TYR 55 HD2 TYR 55 7.584 8.800 -0.127 434 HE1 TYR 55 HE1 TYR 55 9.163 13.459 -0.217 435 HE2 TYR 55 HE2 TYR 55 7.018 10.249 -2.033 436 HH TYR 55 HH TYR 55 8.531 13.257 -2.566 437 H PHE 56 H PHE 56 7.272 7.289 3.069 438 HA PHE 56 HA PHE 56 4.813 7.755 1.810 439 HB2 PHE 56 HB2 PHE 56 5.837 5.450 3.462 440 HB3 PHE 56 HB3 PHE 56 4.243 5.437 2.724 441 HD1 PHE 56 HD1 PHE 56 5.377 7.058 0.237 442 HD2 PHE 56 HD2 PHE 56 6.441 3.450 2.222 443 HE1 PHE 56 HE1 PHE 56 6.336 6.195 -1.856 444 HE2 PHE 56 HE2 PHE 56 7.407 2.578 0.134 445 HZ PHE 56 HZ PHE 56 7.355 3.952 -1.911 446 H ASN 57 H ASN 57 5.523 7.066 5.232 447 HA ASN 57 HA ASN 57 2.866 7.151 6.106 448 HB2 ASN 57 HB2 ASN 57 5.514 7.317 7.470 449 HB3 ASN 57 HB3 ASN 57 4.054 7.659 8.389 450 HD21 ASN 57 HD21 ASN 57 5.878 5.242 6.702 451 HD22 ASN 57 HD22 ASN 57 4.990 3.883 7.299 452 H ARG 58 H ARG 58 5.195 9.749 5.687 453 HA ARG 58 HA ARG 58 3.754 11.690 7.168 454 HB2 ARG 58 HB2 ARG 58 6.078 12.092 6.622 455 HB3 ARG 58 HB3 ARG 58 5.725 12.018 4.900 456 HG2 ARG 58 HG2 ARG 58 4.223 14.006 5.230 457 HG3 ARG 58 HG3 ARG 58 4.878 14.130 6.862 458 HD2 ARG 58 HD2 ARG 58 6.543 14.178 4.353 459 HD3 ARG 58 HD3 ARG 58 5.973 15.617 5.193 460 HE ARG 58 HE ARG 58 7.540 13.714 6.751 461 HH11 ARG 58 HH11 ARG 58 7.417 16.711 4.944 462 HH12 ARG 58 HH12 ARG 58 8.880 17.345 5.640 463 HH21 ARG 58 HH21 ARG 58 9.461 14.550 7.686 464 HH22 ARG 58 HH22 ARG 58 10.038 16.116 7.199 465 H HIS 59 H HIS 59 3.769 10.801 3.734 466 HA HIS 59 HA HIS 59 1.949 12.951 3.100 467 HB2 HIS 59 HB2 HIS 59 3.261 10.816 1.443 468 HB3 HIS 59 HB3 HIS 59 2.025 11.877 0.778 469 HD1 HIS 59 HD1 HIS 59 2.653 14.339 0.370 470 HD2 HIS 59 HD2 HIS 59 5.745 12.050 1.956 471 HE1 HIS 59 HE1 HIS 59 4.728 15.739 0.130 472 HE2 HIS 59 HE2 HIS 59 6.555 14.412 1.252 473 H PHE 60 H PHE 60 1.733 9.495 3.636 474 HA PHE 60 HA PHE 60 -1.128 9.735 3.761 475 HB2 PHE 60 HB2 PHE 60 -1.411 7.730 2.173 476 HB3 PHE 60 HB3 PHE 60 -1.172 9.325 1.478 477 HD1 PHE 60 HD1 PHE 60 0.561 6.148 2.275 478 HD2 PHE 60 HD2 PHE 60 0.579 9.755 0.018 479 HE1 PHE 60 HE1 PHE 60 2.420 5.286 0.913 480 HE2 PHE 60 HE2 PHE 60 2.440 8.901 -1.340 481 HZ PHE 60 HZ PHE 60 3.357 6.665 -0.899 482 H VAL 61 H VAL 61 -2.189 7.784 4.545 483 HA VAL 61 HA VAL 61 -0.545 6.628 6.618 484 HB VAL 61 HB VAL 61 -2.671 5.554 7.385 485 HG11 VAL 61 HG11 VAL 61 -2.760 8.539 6.957 486 HG12 VAL 61 HG12 VAL 61 -3.702 7.642 8.147 487 HG13 VAL 61 HG13 VAL 61 -1.945 7.699 8.276 488 HG21 VAL 61 HG21 VAL 61 -3.878 7.134 5.113 489 HG22 VAL 61 HG22 VAL 61 -3.833 5.377 5.260 490 HG23 VAL 61 HG23 VAL 61 -4.786 6.333 6.396 491 H ASN 62 H ASN 62 0.199 4.612 6.752 492 HA ASN 62 HA ASN 62 -0.056 2.949 4.371 493 HB2 ASN 62 HB2 ASN 62 1.841 2.921 6.715 494 HB3 ASN 62 HB3 ASN 62 1.766 1.591 5.568 495 HD21 ASN 62 HD21 ASN 62 1.281 4.927 4.634 496 HD22 ASN 62 HD22 ASN 62 2.750 5.083 3.742 497 H LEU 63 H LEU 63 -1.744 1.653 4.374 498 HA LEU 63 HA LEU 63 -2.515 0.274 6.862 499 HB2 LEU 63 HB2 LEU 63 -4.264 1.697 5.962 500 HB3 LEU 63 HB3 LEU 63 -4.094 0.959 4.382 501 HG LEU 63 HG LEU 63 -4.856 -1.210 5.421 502 HD11 LEU 63 HD11 LEU 63 -4.367 -0.666 7.743 503 HD12 LEU 63 HD12 LEU 63 -5.585 0.608 7.709 504 HD13 LEU 63 HD13 LEU 63 -6.067 -1.079 7.531 505 HD21 LEU 63 HD21 LEU 63 -7.209 -0.591 5.383 506 HD22 LEU 63 HD22 LEU 63 -6.776 1.111 5.522 507 HD23 LEU 63 HD23 LEU 63 -6.331 0.205 4.078 508 H LYS 64 H LYS 64 -2.248 -1.889 6.936 509 HA LYS 64 HA LYS 64 -1.792 -3.277 4.373 510 HB2 LYS 64 HB2 LYS 64 0.176 -3.317 5.872 511 HB3 LYS 64 HB3 LYS 64 -0.802 -4.083 7.118 512 HG2 LYS 64 HG2 LYS 64 -1.165 -6.007 5.638 513 HG3 LYS 64 HG3 LYS 64 -0.144 -5.249 4.416 514 HD2 LYS 64 HD2 LYS 64 1.139 -6.891 5.630 515 HD3 LYS 64 HD3 LYS 64 1.734 -5.278 6.034 516 HE2 LYS 64 HE2 LYS 64 1.574 -6.646 8.035 517 HE3 LYS 64 HE3 LYS 64 0.420 -5.318 8.104 518 HZ1 LYS 64 HZ1 LYS 64 -0.196 -8.149 7.424 519 HZ2 LYS 64 HZ2 LYS 64 -0.608 -7.338 8.857 520 HZ3 LYS 64 HZ3 LYS 64 -1.317 -6.883 7.389 521 H MET 65 H MET 65 -3.232 -4.755 3.779 522 HA MET 65 HA MET 65 -4.825 -6.091 5.848 523 HB2 MET 65 HB2 MET 65 -5.991 -4.856 3.343 524 HB3 MET 65 HB3 MET 65 -6.874 -5.837 4.505 525 HG2 MET 65 HG2 MET 65 -6.363 -4.129 6.241 526 HG3 MET 65 HG3 MET 65 -5.642 -3.132 4.982 527 HE1 MET 65 HE1 MET 65 -10.113 -4.234 5.228 528 HE2 MET 65 HE2 MET 65 -8.880 -5.412 4.778 529 HE3 MET 65 HE3 MET 65 -8.892 -4.729 6.405 530 H ASP 66 H ASP 66 -4.472 -8.173 5.636 531 HA ASP 66 HA ASP 66 -3.115 -9.297 3.424 532 HB2 ASP 66 HB2 ASP 66 -3.331 -10.081 5.956 533 HB3 ASP 66 HB3 ASP 66 -4.657 -11.029 5.287 534 H MET 67 H MET 67 -3.806 -10.950 2.023 535 HA MET 67 HA MET 67 -6.484 -10.649 1.015 536 HB2 MET 67 HB2 MET 67 -4.119 -12.331 0.252 537 HB3 MET 67 HB3 MET 67 -5.670 -12.486 -0.571 538 HG2 MET 67 HG2 MET 67 -5.546 -10.088 -1.160 539 HG3 MET 67 HG3 MET 67 -3.948 -10.019 -0.417 540 HE1 MET 67 HE1 MET 67 -4.603 -9.090 -3.374 541 HE2 MET 67 HE2 MET 67 -2.974 -9.010 -2.705 542 HE3 MET 67 HE3 MET 67 -3.245 -9.760 -4.277 543 H GLU 68 H GLU 68 -4.983 -12.530 3.377 544 HA GLU 68 HA GLU 68 -7.230 -14.442 3.358 545 HB2 GLU 68 HB2 GLU 68 -4.487 -14.680 4.620 546 HB3 GLU 68 HB3 GLU 68 -5.785 -15.853 4.828 547 HG2 GLU 68 HG2 GLU 68 -5.808 -16.146 2.358 548 HG3 GLU 68 HG3 GLU 68 -4.376 -15.125 2.278 549 H LYS 69 H LYS 69 -6.923 -11.638 4.357 550 HA LYS 69 HA LYS 69 -7.530 -11.949 7.198 551 HB2 LYS 69 HB2 LYS 69 -6.086 -10.074 6.311 552 HB3 LYS 69 HB3 LYS 69 -7.502 -9.443 5.492 553 HG2 LYS 69 HG2 LYS 69 -8.594 -9.100 7.655 554 HG3 LYS 69 HG3 LYS 69 -7.157 -9.727 8.468 555 HD2 LYS 69 HD2 LYS 69 -5.819 -7.921 7.530 556 HD3 LYS 69 HD3 LYS 69 -7.226 -7.311 6.659 557 HE2 LYS 69 HE2 LYS 69 -6.900 -5.974 8.624 558 HE3 LYS 69 HE3 LYS 69 -8.352 -6.948 8.837 559 HZ1 LYS 69 HZ1 LYS 69 -7.187 -8.422 10.279 560 HZ2 LYS 69 HZ2 LYS 69 -5.697 -7.687 9.945 561 HZ3 LYS 69 HZ3 LYS 69 -6.879 -6.842 10.814 562 H GLY 70 H GLY 70 -9.575 -10.995 8.025 563 HA2 GLY 70 HA2 GLY 70 -11.800 -12.162 6.837 564 HA3 GLY 70 HA3 GLY 70 -11.864 -10.902 8.054 565 H GLU 71 H GLU 71 -11.094 -8.668 6.951 566 HA GLU 71 HA GLU 71 -13.165 -8.051 5.061 567 HB2 GLU 71 HB2 GLU 71 -10.860 -6.300 5.907 568 HB3 GLU 71 HB3 GLU 71 -12.393 -5.778 5.228 569 HG2 GLU 71 HG2 GLU 71 -13.566 -6.438 7.207 570 HG3 GLU 71 HG3 GLU 71 -12.109 -7.168 7.881 571 H GLY 72 H GLY 72 -10.058 -9.253 4.772 572 HA2 GLY 72 HA2 GLY 72 -9.029 -7.933 2.519 573 HA3 GLY 72 HA3 GLY 72 -8.596 -9.555 3.041 574 H VAL 73 H VAL 73 -11.378 -10.498 2.815 575 HA VAL 73 HA VAL 73 -11.207 -11.635 0.288 576 HB VAL 73 HB VAL 73 -13.532 -12.376 0.588 577 HG11 VAL 73 HG11 VAL 73 -11.843 -12.574 3.078 578 HG12 VAL 73 HG12 VAL 73 -13.193 -13.632 2.666 579 HG13 VAL 73 HG13 VAL 73 -11.746 -13.618 1.660 580 HG21 VAL 73 HG21 VAL 73 -14.761 -11.771 2.630 581 HG22 VAL 73 HG22 VAL 73 -13.506 -10.599 3.025 582 HG23 VAL 73 HG23 VAL 73 -14.494 -10.380 1.581 583 H GLU 74 H GLU 74 -12.915 -8.696 1.310 584 HA GLU 74 HA GLU 74 -14.298 -8.434 -1.185 585 HB2 GLU 74 HB2 GLU 74 -15.187 -7.420 0.876 586 HB3 GLU 74 HB3 GLU 74 -13.801 -6.337 0.937 587 HG2 GLU 74 HG2 GLU 74 -14.477 -5.223 -1.051 588 HG3 GLU 74 HG3 GLU 74 -15.712 -6.436 -1.381 589 H LEU 75 H LEU 75 -11.411 -6.958 0.233 590 HA LEU 75 HA LEU 75 -10.873 -5.182 -1.884 591 HB2 LEU 75 HB2 LEU 75 -8.842 -6.493 -0.080 592 HB3 LEU 75 HB3 LEU 75 -8.654 -4.991 -0.964 593 HG LEU 75 HG LEU 75 -10.480 -5.479 1.390 594 HD11 LEU 75 HD11 LEU 75 -8.134 -5.248 1.969 595 HD12 LEU 75 HD12 LEU 75 -8.047 -3.738 1.061 596 HD13 LEU 75 HD13 LEU 75 -9.057 -3.843 2.503 597 HD21 LEU 75 HD21 LEU 75 -10.115 -2.987 -0.267 598 HD22 LEU 75 HD22 LEU 75 -11.567 -3.982 -0.181 599 HD23 LEU 75 HD23 LEU 75 -11.023 -3.093 1.241 600 H ARG 76 H ARG 76 -9.860 -8.475 -1.240 601 HA ARG 76 HA ARG 76 -8.057 -8.878 -3.317 602 HB2 ARG 76 HB2 ARG 76 -8.421 -10.432 -1.460 603 HB3 ARG 76 HB3 ARG 76 -10.016 -10.821 -2.079 604 HG2 ARG 76 HG2 ARG 76 -9.034 -11.804 -4.063 605 HG3 ARG 76 HG3 ARG 76 -7.420 -11.367 -3.498 606 HD2 ARG 76 HD2 ARG 76 -7.848 -13.699 -3.031 607 HD3 ARG 76 HD3 ARG 76 -7.749 -12.793 -1.521 608 HE ARG 76 HE ARG 76 -10.428 -12.866 -2.182 609 HH11 ARG 76 HH11 ARG 76 -7.921 -15.236 -1.587 610 HH12 ARG 76 HH12 ARG 76 -9.003 -16.386 -0.868 611 HH21 ARG 76 HH21 ARG 76 -11.862 -14.397 -1.279 612 HH22 ARG 76 HH22 ARG 76 -11.242 -15.927 -0.716 613 H LYS 77 H LYS 77 -11.553 -9.345 -3.255 614 HA LYS 77 HA LYS 77 -11.738 -10.296 -5.944 615 HB2 LYS 77 HB2 LYS 77 -13.353 -10.981 -4.287 616 HB3 LYS 77 HB3 LYS 77 -13.777 -9.313 -3.943 617 HG2 LYS 77 HG2 LYS 77 -14.585 -9.175 -6.342 618 HG3 LYS 77 HG3 LYS 77 -14.427 -10.935 -6.381 619 HD2 LYS 77 HD2 LYS 77 -16.709 -10.311 -5.822 620 HD3 LYS 77 HD3 LYS 77 -15.935 -11.091 -4.439 621 HE2 LYS 77 HE2 LYS 77 -15.415 -8.818 -3.546 622 HE3 LYS 77 HE3 LYS 77 -16.379 -8.139 -4.856 623 HZ1 LYS 77 HZ1 LYS 77 -17.334 -9.921 -2.683 624 HZ2 LYS 77 HZ2 LYS 77 -17.718 -8.284 -2.901 625 HZ3 LYS 77 HZ3 LYS 77 -18.278 -9.441 -4.006 626 H LYS 78 H LYS 78 -11.970 -7.219 -4.345 627 HA LYS 78 HA LYS 78 -13.408 -5.938 -6.483 628 HB2 LYS 78 HB2 LYS 78 -13.735 -5.417 -4.077 629 HB3 LYS 78 HB3 LYS 78 -12.115 -4.745 -4.031 630 HG2 LYS 78 HG2 LYS 78 -12.732 -2.949 -5.460 631 HG3 LYS 78 HG3 LYS 78 -14.290 -3.697 -5.821 632 HD2 LYS 78 HD2 LYS 78 -14.904 -3.494 -3.436 633 HD3 LYS 78 HD3 LYS 78 -13.375 -2.673 -3.133 634 HE2 LYS 78 HE2 LYS 78 -14.013 -0.821 -4.483 635 HE3 LYS 78 HE3 LYS 78 -15.431 -1.676 -5.095 636 HZ1 LYS 78 HZ1 LYS 78 -15.012 -0.880 -2.261 637 HZ2 LYS 78 HZ2 LYS 78 -16.000 -0.059 -3.366 638 HZ3 LYS 78 HZ3 LYS 78 -16.386 -1.638 -2.896 639 H TYR 79 H TYR 79 -10.098 -5.738 -5.184 640 HA TYR 79 HA TYR 79 -9.491 -3.660 -7.134 641 HB2 TYR 79 HB2 TYR 79 -7.931 -4.727 -4.783 642 HB3 TYR 79 HB3 TYR 79 -7.340 -3.468 -5.864 643 HD1 TYR 79 HD1 TYR 79 -9.808 -4.283 -3.267 644 HD2 TYR 79 HD2 TYR 79 -8.236 -1.233 -5.779 645 HE1 TYR 79 HE1 TYR 79 -10.985 -2.586 -1.936 646 HE2 TYR 79 HE2 TYR 79 -9.403 0.467 -4.448 647 HH TYR 79 HH TYR 79 -10.738 -0.142 -1.439 648 H GLY 80 H GLY 80 -9.181 -7.018 -6.918 649 HA2 GLY 80 HA2 GLY 80 -8.597 -8.200 -8.916 650 HA3 GLY 80 HA3 GLY 80 -7.494 -6.898 -9.320 651 H VAL 81 H VAL 81 -8.000 -9.648 -7.196 652 HA VAL 81 HA VAL 81 -5.380 -9.795 -6.155 653 HB VAL 81 HB VAL 81 -7.237 -11.055 -5.173 654 HG11 VAL 81 HG11 VAL 81 -7.155 -12.713 -7.690 655 HG12 VAL 81 HG12 VAL 81 -8.111 -13.073 -6.254 656 HG13 VAL 81 HG13 VAL 81 -8.452 -11.623 -7.199 657 HG21 VAL 81 HG21 VAL 81 -6.103 -13.209 -4.849 658 HG22 VAL 81 HG22 VAL 81 -5.038 -12.848 -6.209 659 HG23 VAL 81 HG23 VAL 81 -4.979 -11.854 -4.753 660 H HIS 82 H HIS 82 -3.563 -10.794 -6.853 661 HA HIS 82 HA HIS 82 -3.637 -12.216 -9.408 662 HB2 HIS 82 HB2 HIS 82 -1.835 -9.881 -8.745 663 HB3 HIS 82 HB3 HIS 82 -1.455 -11.037 -10.016 664 HD1 HIS 82 HD1 HIS 82 -3.748 -8.189 -9.203 665 HD2 HIS 82 HD2 HIS 82 -3.044 -10.841 -12.325 666 HE1 HIS 82 HE1 HIS 82 -4.955 -7.230 -11.187 667 HE2 HIS 82 HE2 HIS 82 -4.478 -8.824 -13.088 668 H ALA 83 H ALA 83 -0.748 -11.163 -7.785 669 HA ALA 83 HA ALA 83 -0.326 -13.367 -6.076 670 HB1 ALA 83 HB1 ALA 83 1.110 -13.543 -8.732 671 HB2 ALA 83 HB2 ALA 83 1.378 -14.589 -7.338 672 HB3 ALA 83 HB3 ALA 83 -0.169 -14.626 -8.183 673 H TYR 84 H TYR 84 0.002 -10.466 -6.358 674 HA TYR 84 HA TYR 84 2.896 -10.163 -5.970 675 HB2 TYR 84 HB2 TYR 84 1.044 -8.639 -7.779 676 HB3 TYR 84 HB3 TYR 84 2.456 -7.842 -7.097 677 HD1 TYR 84 HD1 TYR 84 1.701 -11.112 -8.798 678 HD2 TYR 84 HD2 TYR 84 4.271 -7.732 -8.491 679 HE1 TYR 84 HE1 TYR 84 3.094 -12.011 -10.613 680 HE2 TYR 84 HE2 TYR 84 5.665 -8.625 -10.307 681 HH TYR 84 HH TYR 84 4.693 -11.374 -12.202 682 HA PRO 85 HA PRO 85 1.446 -7.189 -2.862 683 HB2 PRO 85 HB2 PRO 85 3.159 -5.105 -3.070 684 HB3 PRO 85 HB3 PRO 85 3.616 -6.641 -2.327 685 HG2 PRO 85 HG2 PRO 85 4.263 -5.576 -5.028 686 HG3 PRO 85 HG3 PRO 85 5.246 -6.573 -3.942 687 HD2 PRO 85 HD2 PRO 85 3.835 -7.517 -6.131 688 HD3 PRO 85 HD3 PRO 85 4.390 -8.506 -4.768 689 H THR 86 H THR 86 -0.432 -6.217 -3.217 690 HA THR 86 HA THR 86 -0.778 -4.562 -5.601 691 HB THR 86 HB THR 86 -2.937 -5.328 -3.637 692 HG1 THR 86 HG1 THR 86 -1.895 -7.238 -4.349 693 HG21 THR 86 HG21 THR 86 -4.382 -5.097 -5.599 694 HG22 THR 86 HG22 THR 86 -3.477 -3.611 -5.307 695 HG23 THR 86 HG23 THR 86 -2.978 -4.708 -6.594 696 H LEU 87 H LEU 87 -0.146 -2.525 -5.276 697 HA LEU 87 HA LEU 87 -0.551 -1.292 -2.661 698 HB2 LEU 87 HB2 LEU 87 0.903 -0.195 -5.065 699 HB3 LEU 87 HB3 LEU 87 0.939 0.450 -3.435 700 HG LEU 87 HG LEU 87 2.136 -2.155 -4.378 701 HD11 LEU 87 HD11 LEU 87 4.242 -1.132 -3.711 702 HD12 LEU 87 HD12 LEU 87 3.424 -0.165 -4.941 703 HD13 LEU 87 HD13 LEU 87 3.388 0.343 -3.252 704 HD21 LEU 87 HD21 LEU 87 2.056 -1.020 -1.584 705 HD22 LEU 87 HD22 LEU 87 1.157 -2.428 -2.150 706 HD23 LEU 87 HD23 LEU 87 2.917 -2.470 -2.095 707 H LEU 88 H LEU 88 -2.279 -0.155 -2.300 708 HA LEU 88 HA LEU 88 -3.827 0.817 -4.612 709 HB2 LEU 88 HB2 LEU 88 -4.824 0.043 -1.871 710 HB3 LEU 88 HB3 LEU 88 -5.814 0.511 -3.241 711 HG LEU 88 HG LEU 88 -4.066 -1.945 -3.151 712 HD11 LEU 88 HD11 LEU 88 -5.903 -2.113 -1.558 713 HD12 LEU 88 HD12 LEU 88 -7.053 -1.669 -2.822 714 HD13 LEU 88 HD13 LEU 88 -6.162 -3.188 -2.935 715 HD21 LEU 88 HD21 LEU 88 -6.135 -1.026 -5.144 716 HD22 LEU 88 HD22 LEU 88 -4.390 -1.087 -5.401 717 HD23 LEU 88 HD23 LEU 88 -5.301 -2.580 -5.173 718 H PHE 89 H PHE 89 -3.986 2.928 -4.830 719 HA PHE 89 HA PHE 89 -3.628 4.658 -2.487 720 HB2 PHE 89 HB2 PHE 89 -3.598 5.308 -5.446 721 HB3 PHE 89 HB3 PHE 89 -3.384 6.487 -4.157 722 HD1 PHE 89 HD1 PHE 89 -1.856 3.656 -5.926 723 HD2 PHE 89 HD2 PHE 89 -1.318 6.664 -2.962 724 HE1 PHE 89 HE1 PHE 89 0.564 3.218 -5.929 725 HE2 PHE 89 HE2 PHE 89 1.106 6.232 -2.959 726 HZ PHE 89 HZ PHE 89 2.049 4.506 -4.440 727 H ILE 90 H ILE 90 -5.481 5.123 -1.485 728 HA ILE 90 HA ILE 90 -7.898 5.553 -3.122 729 HB ILE 90 HB ILE 90 -7.733 4.701 -0.224 730 HG12 ILE 90 HG12 ILE 90 -8.549 3.116 -2.669 731 HG13 ILE 90 HG13 ILE 90 -7.019 2.942 -1.817 732 HG21 ILE 90 HG21 ILE 90 -10.146 4.363 -0.385 733 HG22 ILE 90 HG22 ILE 90 -9.715 6.043 -0.698 734 HG23 ILE 90 HG23 ILE 90 -10.124 4.974 -2.038 735 HD11 ILE 90 HD11 ILE 90 -8.227 2.221 0.180 736 HD12 ILE 90 HD12 ILE 90 -9.750 2.382 -0.691 737 HD13 ILE 90 HD13 ILE 90 -8.564 1.181 -1.206 738 H ASN 91 H ASN 91 -9.051 7.397 -2.880 739 HA ASN 91 HA ASN 91 -7.741 9.665 -1.705 740 HB2 ASN 91 HB2 ASN 91 -10.488 9.423 -2.954 741 HB3 ASN 91 HB3 ASN 91 -9.705 10.935 -2.520 742 HD21 ASN 91 HD21 ASN 91 -10.663 10.065 -5.090 743 HD22 ASN 91 HD22 ASN 91 -9.307 10.071 -6.152 744 H SER 92 H SER 92 -8.964 11.212 -0.332 745 HA SER 92 HA SER 92 -9.891 10.046 2.074 746 HB2 SER 92 HB2 SER 92 -8.826 12.257 1.978 747 HB3 SER 92 HB3 SER 92 -10.161 12.874 1.012 748 HG SER 92 HG SER 92 -10.167 13.302 3.370 749 H SER 93 H SER 93 -11.416 11.068 -0.857 750 HA SER 93 HA SER 93 -14.096 11.118 0.143 751 HB2 SER 93 HB2 SER 93 -13.203 10.860 -2.733 752 HB3 SER 93 HB3 SER 93 -14.719 11.531 -2.130 753 HG SER 93 HG SER 93 -13.500 13.220 -1.170 754 H GLY 94 H GLY 94 -12.046 8.600 -0.191 755 HA2 GLY 94 HA2 GLY 94 -12.454 6.330 -0.055 756 HA3 GLY 94 HA3 GLY 94 -14.174 6.667 -0.193 757 H GLU 95 H GLU 95 -11.914 7.858 -2.547 758 HA GLU 95 HA GLU 95 -13.054 5.979 -4.506 759 HB2 GLU 95 HB2 GLU 95 -11.960 8.762 -4.966 760 HB3 GLU 95 HB3 GLU 95 -12.633 7.706 -6.200 761 HG2 GLU 95 HG2 GLU 95 -14.800 7.775 -5.053 762 HG3 GLU 95 HG3 GLU 95 -14.111 8.878 -3.861 763 H VAL 96 H VAL 96 -11.678 4.942 -5.930 764 HA VAL 96 HA VAL 96 -8.915 4.790 -5.165 765 HB VAL 96 HB VAL 96 -8.707 3.167 -7.035 766 HG11 VAL 96 HG11 VAL 96 -9.357 2.403 -4.821 767 HG12 VAL 96 HG12 VAL 96 -11.053 2.712 -5.196 768 HG13 VAL 96 HG13 VAL 96 -10.173 1.455 -6.065 769 HG21 VAL 96 HG21 VAL 96 -10.344 4.144 -8.572 770 HG22 VAL 96 HG22 VAL 96 -10.706 2.447 -8.247 771 HG23 VAL 96 HG23 VAL 96 -11.647 3.716 -7.461 772 H VAL 97 H VAL 97 -7.250 5.887 -6.000 773 HA VAL 97 HA VAL 97 -7.824 7.564 -8.343 774 HB VAL 97 HB VAL 97 -7.250 8.883 -6.399 775 HG11 VAL 97 HG11 VAL 97 -5.955 7.267 -5.137 776 HG12 VAL 97 HG12 VAL 97 -4.657 7.348 -6.327 777 HG13 VAL 97 HG13 VAL 97 -5.042 8.762 -5.344 778 HG21 VAL 97 HG21 VAL 97 -5.349 10.151 -7.313 779 HG22 VAL 97 HG22 VAL 97 -5.030 8.828 -8.434 780 HG23 VAL 97 HG23 VAL 97 -6.540 9.733 -8.546 781 H TYR 98 H TYR 98 -5.329 5.448 -6.947 782 HA TYR 98 HA TYR 98 -4.543 4.794 -9.680 783 HB2 TYR 98 HB2 TYR 98 -2.956 6.539 -8.854 784 HB3 TYR 98 HB3 TYR 98 -2.499 5.456 -7.545 785 HD1 TYR 98 HD1 TYR 98 -2.643 5.642 -11.259 786 HD2 TYR 98 HD2 TYR 98 -0.724 3.959 -7.859 787 HE1 TYR 98 HE1 TYR 98 -0.952 4.629 -12.726 788 HE2 TYR 98 HE2 TYR 98 0.977 2.941 -9.316 789 HH TYR 98 HH TYR 98 1.320 3.785 -12.613 790 H ARG 99 H ARG 99 -4.304 2.704 -9.980 791 HA ARG 99 HA ARG 99 -4.061 0.962 -7.614 792 HB2 ARG 99 HB2 ARG 99 -5.178 0.456 -10.372 793 HB3 ARG 99 HB3 ARG 99 -4.848 -0.834 -9.226 794 HG2 ARG 99 HG2 ARG 99 -6.456 0.029 -7.687 795 HG3 ARG 99 HG3 ARG 99 -6.698 1.473 -8.673 796 HD2 ARG 99 HD2 ARG 99 -8.515 -0.129 -8.997 797 HD3 ARG 99 HD3 ARG 99 -7.593 0.095 -10.483 798 HE ARG 99 HE ARG 99 -7.290 -2.242 -8.706 799 HH11 ARG 99 HH11 ARG 99 -7.381 -0.788 -11.880 800 HH12 ARG 99 HH12 ARG 99 -7.150 -2.289 -12.726 801 HH21 ARG 99 HH21 ARG 99 -6.996 -4.231 -9.797 802 HH22 ARG 99 HH22 ARG 99 -6.918 -4.249 -11.538 803 H LEU 100 H LEU 100 -2.121 0.092 -7.298 804 HA LEU 100 HA LEU 100 -0.356 -0.184 -9.643 805 HB2 LEU 100 HB2 LEU 100 0.395 1.512 -8.022 806 HB3 LEU 100 HB3 LEU 100 0.408 0.290 -6.759 807 HG LEU 100 HG LEU 100 2.190 -0.922 -7.948 808 HD11 LEU 100 HD11 LEU 100 2.088 1.405 -9.865 809 HD12 LEU 100 HD12 LEU 100 3.328 0.152 -9.838 810 HD13 LEU 100 HD13 LEU 100 1.660 -0.267 -10.228 811 HD21 LEU 100 HD21 LEU 100 2.780 1.996 -7.466 812 HD22 LEU 100 HD22 LEU 100 2.782 0.719 -6.250 813 HD23 LEU 100 HD23 LEU 100 3.976 0.703 -7.548 814 H VAL 101 H VAL 101 -0.494 -2.254 -10.233 815 HA VAL 101 HA VAL 101 -0.201 -4.305 -8.153 816 HB VAL 101 HB VAL 101 -0.707 -5.904 -10.109 817 HG11 VAL 101 HG11 VAL 101 -2.823 -4.002 -9.100 818 HG12 VAL 101 HG12 VAL 101 -3.133 -5.573 -9.841 819 HG13 VAL 101 HG13 VAL 101 -2.273 -5.478 -8.304 820 HG21 VAL 101 HG21 VAL 101 -1.715 -3.322 -11.310 821 HG22 VAL 101 HG22 VAL 101 -0.388 -4.304 -11.929 822 HG23 VAL 101 HG23 VAL 101 -2.032 -4.939 -11.935 823 H GLY 102 H GLY 102 1.874 -4.513 -7.712 824 HA2 GLY 102 HA2 GLY 102 3.779 -5.887 -8.775 825 HA3 GLY 102 HA3 GLY 102 3.811 -4.555 -9.925 826 H ALA 103 H ALA 103 6.064 -5.153 -8.467 827 HA ALA 103 HA ALA 103 6.489 -2.699 -7.039 828 HB1 ALA 103 HB1 ALA 103 7.130 -3.682 -4.908 829 HB2 ALA 103 HB2 ALA 103 5.439 -4.030 -5.274 830 HB3 ALA 103 HB3 ALA 103 6.664 -5.280 -5.492 831 H GLU 104 H GLU 104 8.390 -2.083 -7.708 832 HA GLU 104 HA GLU 104 10.423 -4.072 -8.413 833 HB2 GLU 104 HB2 GLU 104 10.390 -1.097 -8.972 834 HB3 GLU 104 HB3 GLU 104 11.500 -2.280 -9.649 835 HG2 GLU 104 HG2 GLU 104 8.532 -2.320 -10.120 836 HG3 GLU 104 HG3 GLU 104 9.683 -1.513 -11.184 837 H ASP 105 H ASP 105 12.751 -2.886 -8.042 838 HA ASP 105 HA ASP 105 13.319 -2.861 -5.321 839 HB2 ASP 105 HB2 ASP 105 14.951 -3.063 -7.239 840 HB3 ASP 105 HB3 ASP 105 14.826 -1.322 -7.452 841 H ALA 106 H ALA 106 13.898 -1.044 -3.907 842 HA ALA 106 HA ALA 106 11.724 0.524 -3.447 843 HB1 ALA 106 HB1 ALA 106 13.023 1.785 -1.849 844 HB2 ALA 106 HB2 ALA 106 13.451 0.076 -1.785 845 HB3 ALA 106 HB3 ALA 106 14.521 1.222 -2.586 846 HA PRO 107 HA PRO 107 13.744 4.528 -5.423 847 HB2 PRO 107 HB2 PRO 107 15.495 3.258 -7.461 848 HB3 PRO 107 HB3 PRO 107 15.765 4.706 -6.487 849 HG2 PRO 107 HG2 PRO 107 17.057 2.452 -5.931 850 HG3 PRO 107 HG3 PRO 107 16.447 3.491 -4.628 851 HD2 PRO 107 HD2 PRO 107 15.310 0.942 -5.714 852 HD3 PRO 107 HD3 PRO 107 15.439 1.491 -4.032 853 H GLU 108 H GLU 108 13.363 1.610 -7.396 854 HA GLU 108 HA GLU 108 12.211 2.985 -9.615 855 HB2 GLU 108 HB2 GLU 108 12.260 0.055 -8.889 856 HB3 GLU 108 HB3 GLU 108 11.689 0.696 -10.420 857 HG2 GLU 108 HG2 GLU 108 13.890 1.564 -10.922 858 HG3 GLU 108 HG3 GLU 108 14.481 1.026 -9.350 859 H LEU 109 H LEU 109 10.964 1.171 -6.854 860 HA LEU 109 HA LEU 109 8.238 1.202 -7.558 861 HB2 LEU 109 HB2 LEU 109 9.162 -0.164 -5.729 862 HB3 LEU 109 HB3 LEU 109 9.483 1.288 -4.809 863 HG LEU 109 HG LEU 109 7.021 1.755 -4.807 864 HD11 LEU 109 HD11 LEU 109 5.485 -0.063 -5.327 865 HD12 LEU 109 HD12 LEU 109 6.402 0.424 -6.755 866 HD13 LEU 109 HD13 LEU 109 6.834 -1.052 -5.891 867 HD21 LEU 109 HD21 LEU 109 7.924 -0.838 -3.568 868 HD22 LEU 109 HD22 LEU 109 8.105 0.774 -2.876 869 HD23 LEU 109 HD23 LEU 109 6.497 0.083 -3.091 870 H LEU 110 H LEU 110 10.082 3.332 -5.422 871 HA LEU 110 HA LEU 110 8.109 5.192 -4.830 872 HB2 LEU 110 HB2 LEU 110 10.293 5.102 -3.726 873 HB3 LEU 110 HB3 LEU 110 11.068 5.658 -5.197 874 HG LEU 110 HG LEU 110 9.840 7.802 -5.005 875 HD11 LEU 110 HD11 LEU 110 8.947 6.706 -2.343 876 HD12 LEU 110 HD12 LEU 110 8.696 8.350 -2.928 877 HD13 LEU 110 HD13 LEU 110 7.913 6.994 -3.742 878 HD21 LEU 110 HD21 LEU 110 12.106 7.573 -4.123 879 HD22 LEU 110 HD22 LEU 110 11.145 8.685 -3.147 880 HD23 LEU 110 HD23 LEU 110 11.451 7.046 -2.572 881 H LYS 111 H LYS 111 10.196 4.958 -7.645 882 HA LYS 111 HA LYS 111 9.531 7.464 -8.774 883 HB2 LYS 111 HB2 LYS 111 11.508 5.997 -9.367 884 HB3 LYS 111 HB3 LYS 111 10.390 4.994 -10.280 885 HG2 LYS 111 HG2 LYS 111 9.893 6.794 -11.772 886 HG3 LYS 111 HG3 LYS 111 10.817 7.928 -10.784 887 HD2 LYS 111 HD2 LYS 111 12.849 6.585 -11.229 888 HD3 LYS 111 HD3 LYS 111 11.898 5.567 -12.313 889 HE2 LYS 111 HE2 LYS 111 11.407 7.494 -13.711 890 HE3 LYS 111 HE3 LYS 111 12.310 8.535 -12.613 891 HZ1 LYS 111 HZ1 LYS 111 13.447 6.277 -14.175 892 HZ2 LYS 111 HZ2 LYS 111 13.612 7.923 -14.556 893 HZ3 LYS 111 HZ3 LYS 111 14.315 7.302 -13.141 894 H LYS 112 H LYS 112 8.191 4.202 -9.172 895 HA LYS 112 HA LYS 112 6.282 4.895 -11.142 896 HB2 LYS 112 HB2 LYS 112 6.361 2.643 -9.140 897 HB3 LYS 112 HB3 LYS 112 5.087 2.809 -10.340 898 HG2 LYS 112 HG2 LYS 112 6.775 2.679 -12.120 899 HG3 LYS 112 HG3 LYS 112 8.025 2.455 -10.894 900 HD2 LYS 112 HD2 LYS 112 6.975 0.397 -10.158 901 HD3 LYS 112 HD3 LYS 112 5.651 0.637 -11.299 902 HE2 LYS 112 HE2 LYS 112 8.548 0.291 -12.058 903 HE3 LYS 112 HE3 LYS 112 7.342 -0.993 -12.083 904 HZ1 LYS 112 HZ1 LYS 112 7.680 -0.023 -14.275 905 HZ2 LYS 112 HZ2 LYS 112 6.096 0.242 -13.736 906 HZ3 LYS 112 HZ3 LYS 112 7.234 1.500 -13.697 907 H VAL 113 H VAL 113 6.247 4.980 -7.635 908 HA VAL 113 HA VAL 113 3.537 5.560 -7.231 909 HB VAL 113 HB VAL 113 5.933 6.517 -5.648 910 HG11 VAL 113 HG11 VAL 113 4.347 6.851 -3.801 911 HG12 VAL 113 HG12 VAL 113 3.997 7.902 -5.173 912 HG13 VAL 113 HG13 VAL 113 3.013 6.467 -4.890 913 HG21 VAL 113 HG21 VAL 113 5.776 4.087 -5.762 914 HG22 VAL 113 HG22 VAL 113 5.391 4.659 -4.140 915 HG23 VAL 113 HG23 VAL 113 4.097 4.155 -5.227 916 H LYS 114 H LYS 114 6.289 7.676 -7.927 917 HA LYS 114 HA LYS 114 4.937 10.131 -7.781 918 HB2 LYS 114 HB2 LYS 114 7.323 9.314 -9.443 919 HB3 LYS 114 HB3 LYS 114 6.791 10.976 -9.211 920 HG2 LYS 114 HG2 LYS 114 7.256 10.881 -6.876 921 HG3 LYS 114 HG3 LYS 114 7.556 9.144 -6.953 922 HD2 LYS 114 HD2 LYS 114 9.516 9.521 -8.333 923 HD3 LYS 114 HD3 LYS 114 9.196 11.256 -8.349 924 HE2 LYS 114 HE2 LYS 114 9.538 11.375 -5.957 925 HE3 LYS 114 HE3 LYS 114 9.754 9.627 -5.871 926 HZ1 LYS 114 HZ1 LYS 114 11.841 10.975 -5.868 927 HZ2 LYS 114 HZ2 LYS 114 11.767 9.771 -7.064 928 HZ3 LYS 114 HZ3 LYS 114 11.509 11.399 -7.478 929 H LEU 115 H LEU 115 5.428 7.896 -10.478 930 HA LEU 115 HA LEU 115 4.077 9.454 -12.430 931 HB2 LEU 115 HB2 LEU 115 4.949 6.605 -12.225 932 HB3 LEU 115 HB3 LEU 115 3.817 7.043 -13.484 933 HG LEU 115 HG LEU 115 6.121 7.001 -14.310 934 HD11 LEU 115 HD11 LEU 115 4.951 9.773 -14.215 935 HD12 LEU 115 HD12 LEU 115 6.161 9.202 -15.362 936 HD13 LEU 115 HD13 LEU 115 4.543 8.505 -15.368 937 HD21 LEU 115 HD21 LEU 115 7.737 8.695 -13.587 938 HD22 LEU 115 HD22 LEU 115 6.621 9.216 -12.325 939 HD23 LEU 115 HD23 LEU 115 7.310 7.593 -12.279 940 H GLY 116 H GLY 116 2.965 7.581 -9.810 941 HA2 GLY 116 HA2 GLY 116 0.347 7.102 -10.998 942 HA3 GLY 116 HA3 GLY 116 0.886 6.563 -9.415 943 H VAL 117 H VAL 117 1.762 8.984 -8.353 944 HA VAL 117 HA VAL 117 -0.698 10.041 -7.426 945 HB VAL 117 HB VAL 117 2.096 11.154 -7.088 946 HG11 VAL 117 HG11 VAL 117 0.323 12.806 -6.637 947 HG12 VAL 117 HG12 VAL 117 -0.389 11.696 -5.466 948 HG13 VAL 117 HG13 VAL 117 1.219 12.365 -5.184 949 HG21 VAL 117 HG21 VAL 117 2.034 10.034 -4.902 950 HG22 VAL 117 HG22 VAL 117 0.474 9.324 -5.320 951 HG23 VAL 117 HG23 VAL 117 1.915 8.887 -6.237 952 H GLU 118 H GLU 118 1.605 11.083 -9.853 953 HA GLU 118 HA GLU 118 1.490 12.613 -11.515 954 HB2 GLU 118 HB2 GLU 118 -1.386 12.747 -10.636 955 HB3 GLU 118 HB3 GLU 118 -0.757 13.772 -11.918 956 HG2 GLU 118 HG2 GLU 118 -0.651 10.767 -11.929 957 HG3 GLU 118 HG3 GLU 118 -1.886 11.734 -12.737 958 H SER 119 H SER 119 2.788 14.223 -11.107 959 HA SER 119 HA SER 119 1.768 16.605 -9.814 960 HB2 SER 119 HB2 SER 119 4.224 15.179 -8.752 961 HB3 SER 119 HB3 SER 119 3.698 16.791 -8.269 962 HG SER 119 HG SER 119 1.692 14.956 -8.078 963 H GLU 120 H GLU 120 2.605 18.410 -10.731 964 HA GLU 120 HA GLU 120 4.441 18.016 -12.938 965 HB2 GLU 120 HB2 GLU 120 3.944 20.717 -12.872 966 HB3 GLU 120 HB3 GLU 120 3.054 19.539 -13.821 967 HG2 GLU 120 HG2 GLU 120 1.512 20.958 -12.659 968 HG3 GLU 120 HG3 GLU 120 1.421 19.332 -11.990 969 H GLY 121 H GLY 121 6.513 17.945 -12.496 970 HA2 GLY 121 HA2 GLY 121 8.157 19.937 -11.814 971 HA3 GLY 121 HA3 GLY 121 7.610 19.388 -10.234 Start of MODEL 16 1 H ALA 1 H ALA 1 21.275 5.355 10.249 2 HA ALA 1 HA ALA 1 22.130 4.383 12.257 3 HB1 ALA 1 HB1 ALA 1 19.304 5.372 12.616 4 HB2 ALA 1 HB2 ALA 1 20.573 5.363 13.840 5 HB3 ALA 1 HB3 ALA 1 20.729 6.393 12.417 6 H GLN 2 H GLN 2 18.667 3.565 12.344 7 HA GLN 2 HA GLN 2 19.436 0.852 13.210 8 HB2 GLN 2 HB2 GLN 2 16.940 2.410 13.914 9 HB3 GLN 2 HB3 GLN 2 17.313 0.777 14.448 10 HG2 GLN 2 HG2 GLN 2 19.187 1.575 15.732 11 HG3 GLN 2 HG3 GLN 2 18.958 3.211 15.113 12 HE21 GLN 2 HE21 GLN 2 16.030 2.967 15.268 13 HE22 GLN 2 HE22 GLN 2 15.637 3.125 16.948 14 H ALA 3 H ALA 3 16.612 2.550 11.879 15 HA ALA 3 HA ALA 3 15.405 2.283 9.990 16 HB1 ALA 3 HB1 ALA 3 17.554 0.369 9.094 17 HB2 ALA 3 HB2 ALA 3 16.314 1.109 8.078 18 HB3 ALA 3 HB3 ALA 3 17.557 2.112 8.826 19 H ASP 4 H ASP 4 13.687 1.381 11.098 20 HA ASP 4 HA ASP 4 13.481 -1.524 11.214 21 HB2 ASP 4 HB2 ASP 4 11.375 -1.147 12.401 22 HB3 ASP 4 HB3 ASP 4 12.670 -0.209 13.135 23 H GLY 5 H GLY 5 12.482 1.140 9.272 24 HA2 GLY 5 HA2 GLY 5 11.967 0.750 6.970 25 HA3 GLY 5 HA3 GLY 5 11.256 -0.792 7.424 26 H ILE 6 H ILE 6 9.491 -0.007 6.046 27 HA ILE 6 HA ILE 6 7.852 2.157 6.962 28 HB ILE 6 HB ILE 6 7.051 -0.088 5.100 29 HG12 ILE 6 HG12 ILE 6 8.286 2.582 4.388 30 HG13 ILE 6 HG13 ILE 6 9.148 1.047 4.357 31 HG21 ILE 6 HG21 ILE 6 6.019 2.730 5.424 32 HG22 ILE 6 HG22 ILE 6 5.469 1.571 4.213 33 HG23 ILE 6 HG23 ILE 6 5.193 1.253 5.926 34 HD11 ILE 6 HD11 ILE 6 8.487 1.655 2.134 35 HD12 ILE 6 HD12 ILE 6 7.565 0.242 2.647 36 HD13 ILE 6 HD13 ILE 6 6.807 1.835 2.639 37 H ALA 7 H ALA 7 5.964 2.047 8.162 38 HA ALA 7 HA ALA 7 5.469 -0.550 9.464 39 HB1 ALA 7 HB1 ALA 7 6.348 1.141 11.006 40 HB2 ALA 7 HB2 ALA 7 4.996 2.202 10.605 41 HB3 ALA 7 HB3 ALA 7 4.700 0.668 11.423 42 H PHE 8 H PHE 8 3.762 -1.439 8.478 43 HA PHE 8 HA PHE 8 1.515 0.225 7.668 44 HB2 PHE 8 HB2 PHE 8 2.187 -2.688 7.269 45 HB3 PHE 8 HB3 PHE 8 0.645 -1.997 6.796 46 HD1 PHE 8 HD1 PHE 8 0.487 -0.463 4.931 47 HD2 PHE 8 HD2 PHE 8 4.209 -2.180 6.064 48 HE1 PHE 8 HE1 PHE 8 1.452 0.216 2.773 49 HE2 PHE 8 HE2 PHE 8 5.184 -1.508 3.908 50 HZ PHE 8 HZ PHE 8 3.804 -0.305 2.257 51 H ARG 9 H ARG 9 -0.390 0.307 8.723 52 HA ARG 9 HA ARG 9 -0.576 -1.256 11.202 53 HB2 ARG 9 HB2 ARG 9 -2.324 0.429 11.849 54 HB3 ARG 9 HB3 ARG 9 -0.707 1.082 11.645 55 HG2 ARG 9 HG2 ARG 9 -1.472 1.701 9.276 56 HG3 ARG 9 HG3 ARG 9 -3.104 1.413 9.884 57 HD2 ARG 9 HD2 ARG 9 -2.530 3.768 10.061 58 HD3 ARG 9 HD3 ARG 9 -2.720 3.058 11.665 59 HE ARG 9 HE ARG 9 -0.016 2.896 10.940 60 HH11 ARG 9 HH11 ARG 9 -2.395 5.349 11.733 61 HH12 ARG 9 HH12 ARG 9 -1.221 6.442 12.398 62 HH21 ARG 9 HH21 ARG 9 1.514 4.335 11.793 63 HH22 ARG 9 HH22 ARG 9 0.999 5.874 12.417 64 H GLU 10 H GLU 10 -2.295 -2.566 11.634 65 HA GLU 10 HA GLU 10 -3.765 -3.392 9.248 66 HB2 GLU 10 HB2 GLU 10 -3.499 -4.797 11.915 67 HB3 GLU 10 HB3 GLU 10 -4.182 -5.475 10.443 68 HG2 GLU 10 HG2 GLU 10 -2.010 -5.299 9.348 69 HG3 GLU 10 HG3 GLU 10 -1.323 -4.614 10.819 70 H LEU 11 H LEU 11 -5.462 -1.990 9.102 71 HA LEU 11 HA LEU 11 -7.431 -2.065 11.271 72 HB2 LEU 11 HB2 LEU 11 -6.625 0.253 9.518 73 HB3 LEU 11 HB3 LEU 11 -8.036 0.249 10.543 74 HG LEU 11 HG LEU 11 -5.199 -0.005 11.529 75 HD11 LEU 11 HD11 LEU 11 -5.512 2.275 12.367 76 HD12 LEU 11 HD12 LEU 11 -5.619 2.203 10.608 77 HD13 LEU 11 HD13 LEU 11 -7.087 2.344 11.575 78 HD21 LEU 11 HD21 LEU 11 -6.794 -1.114 12.985 79 HD22 LEU 11 HD22 LEU 11 -6.202 0.368 13.739 80 HD23 LEU 11 HD23 LEU 11 -7.806 0.330 13.006 81 H SER 12 H SER 12 -9.661 -1.727 10.522 82 HA SER 12 HA SER 12 -10.266 -3.085 8.096 83 HB2 SER 12 HB2 SER 12 -12.060 -1.373 9.837 84 HB3 SER 12 HB3 SER 12 -12.599 -2.527 8.615 85 HG SER 12 HG SER 12 -12.253 -4.120 9.954 86 H PHE 13 H PHE 13 -11.598 -2.147 6.339 87 HA PHE 13 HA PHE 13 -10.217 -0.055 5.087 88 HB2 PHE 13 HB2 PHE 13 -11.452 -1.785 3.859 89 HB3 PHE 13 HB3 PHE 13 -12.972 -1.130 4.451 90 HD1 PHE 13 HD1 PHE 13 -10.111 -0.535 2.224 91 HD2 PHE 13 HD2 PHE 13 -13.958 0.802 3.454 92 HE1 PHE 13 HE1 PHE 13 -10.220 0.946 0.260 93 HE2 PHE 13 HE2 PHE 13 -14.072 2.287 1.497 94 HZ PHE 13 HZ PHE 13 -12.200 2.358 -0.105 95 HA PRO 14 HA PRO 14 -14.012 2.873 6.070 96 HB2 PRO 14 HB2 PRO 14 -15.430 2.133 8.318 97 HB3 PRO 14 HB3 PRO 14 -15.957 1.832 6.659 98 HG2 PRO 14 HG2 PRO 14 -14.586 -0.006 8.577 99 HG3 PRO 14 HG3 PRO 14 -15.914 -0.347 7.451 100 HD2 PRO 14 HD2 PRO 14 -13.398 -1.075 6.898 101 HD3 PRO 14 HD3 PRO 14 -14.491 -0.494 5.624 102 H GLU 15 H GLU 15 -12.426 1.077 8.652 103 HA GLU 15 HA GLU 15 -12.250 3.143 10.541 104 HB2 GLU 15 HB2 GLU 15 -10.667 0.638 10.078 105 HB3 GLU 15 HB3 GLU 15 -10.242 1.764 11.358 106 HG2 GLU 15 HG2 GLU 15 -12.861 0.315 11.035 107 HG3 GLU 15 HG3 GLU 15 -11.609 -0.021 12.235 108 H ALA 16 H ALA 16 -9.942 2.024 8.089 109 HA ALA 16 HA ALA 16 -7.943 3.909 8.748 110 HB1 ALA 16 HB1 ALA 16 -8.398 2.465 6.135 111 HB2 ALA 16 HB2 ALA 16 -6.910 3.274 6.627 112 HB3 ALA 16 HB3 ALA 16 -7.472 1.849 7.503 113 H LEU 17 H LEU 17 -10.531 3.870 6.346 114 HA LEU 17 HA LEU 17 -9.973 6.245 5.000 115 HB2 LEU 17 HB2 LEU 17 -11.686 4.524 4.388 116 HB3 LEU 17 HB3 LEU 17 -12.704 5.142 5.670 117 HG LEU 17 HG LEU 17 -12.780 7.336 4.522 118 HD11 LEU 17 HD11 LEU 17 -10.682 7.207 3.309 119 HD12 LEU 17 HD12 LEU 17 -11.307 5.878 2.334 120 HD13 LEU 17 HD13 LEU 17 -12.023 7.485 2.198 121 HD21 LEU 17 HD21 LEU 17 -14.286 6.640 2.738 122 HD22 LEU 17 HD22 LEU 17 -13.661 4.994 2.838 123 HD23 LEU 17 HD23 LEU 17 -14.551 5.683 4.195 124 H LYS 18 H LYS 18 -12.128 5.704 7.753 125 HA LYS 18 HA LYS 18 -12.925 8.324 8.241 126 HB2 LYS 18 HB2 LYS 18 -13.882 6.284 9.294 127 HB3 LYS 18 HB3 LYS 18 -12.434 6.145 10.281 128 HG2 LYS 18 HG2 LYS 18 -14.056 7.140 11.649 129 HG3 LYS 18 HG3 LYS 18 -12.975 8.448 11.159 130 HD2 LYS 18 HD2 LYS 18 -14.559 9.097 9.412 131 HD3 LYS 18 HD3 LYS 18 -15.644 7.797 9.908 132 HE2 LYS 18 HE2 LYS 18 -16.436 9.837 10.868 133 HE3 LYS 18 HE3 LYS 18 -15.761 8.851 12.163 134 HZ1 LYS 18 HZ1 LYS 18 -14.304 11.047 10.799 135 HZ2 LYS 18 HZ2 LYS 18 -15.122 11.217 12.274 136 HZ3 LYS 18 HZ3 LYS 18 -13.787 10.178 12.164 137 H ARG 19 H ARG 19 -10.202 6.521 9.594 138 HA ARG 19 HA ARG 19 -9.196 8.460 11.300 139 HB2 ARG 19 HB2 ARG 19 -8.541 6.149 11.447 140 HB3 ARG 19 HB3 ARG 19 -7.888 6.179 9.816 141 HG2 ARG 19 HG2 ARG 19 -6.054 6.253 11.289 142 HG3 ARG 19 HG3 ARG 19 -6.254 7.866 10.607 143 HD2 ARG 19 HD2 ARG 19 -7.325 8.646 12.613 144 HD3 ARG 19 HD3 ARG 19 -7.319 7.020 13.292 145 HE ARG 19 HE ARG 19 -4.790 8.395 12.675 146 HH11 ARG 19 HH11 ARG 19 -6.925 6.778 14.933 147 HH12 ARG 19 HH12 ARG 19 -5.779 6.818 16.241 148 HH21 ARG 19 HH21 ARG 19 -3.273 8.431 14.366 149 HH22 ARG 19 HH22 ARG 19 -3.695 7.772 15.921 150 H ALA 20 H ALA 20 -8.574 7.814 7.882 151 HA ALA 20 HA ALA 20 -6.444 9.672 7.632 152 HB1 ALA 20 HB1 ALA 20 -6.770 7.805 6.093 153 HB2 ALA 20 HB2 ALA 20 -8.250 8.556 5.499 154 HB3 ALA 20 HB3 ALA 20 -6.695 9.349 5.244 155 H GLU 21 H GLU 21 -9.932 9.960 7.363 156 HA GLU 21 HA GLU 21 -9.986 12.436 6.014 157 HB2 GLU 21 HB2 GLU 21 -11.984 11.186 7.897 158 HB3 GLU 21 HB3 GLU 21 -12.278 12.680 7.019 159 HG2 GLU 21 HG2 GLU 21 -11.873 11.393 4.902 160 HG3 GLU 21 HG3 GLU 21 -11.876 9.928 5.886 161 H VAL 22 H VAL 22 -10.049 11.649 9.480 162 HA VAL 22 HA VAL 22 -10.204 14.397 10.256 163 HB VAL 22 HB VAL 22 -9.803 13.606 12.550 164 HG11 VAL 22 HG11 VAL 22 -11.814 12.194 12.730 165 HG12 VAL 22 HG12 VAL 22 -12.058 13.588 11.676 166 HG13 VAL 22 HG13 VAL 22 -11.803 11.990 10.978 167 HG21 VAL 22 HG21 VAL 22 -9.466 10.895 11.266 168 HG22 VAL 22 HG22 VAL 22 -8.219 11.816 12.105 169 HG23 VAL 22 HG23 VAL 22 -9.608 11.196 12.998 170 H GLU 23 H GLU 23 -7.594 12.210 9.583 171 HA GLU 23 HA GLU 23 -5.575 13.918 10.758 172 HB2 GLU 23 HB2 GLU 23 -5.368 11.484 8.973 173 HB3 GLU 23 HB3 GLU 23 -3.993 12.316 9.685 174 HG2 GLU 23 HG2 GLU 23 -6.207 11.130 11.329 175 HG3 GLU 23 HG3 GLU 23 -4.777 10.222 10.846 176 H ASP 24 H ASP 24 -7.351 13.835 7.899 177 HA ASP 24 HA ASP 24 -7.178 14.669 5.807 178 HB2 ASP 24 HB2 ASP 24 -7.024 16.808 7.026 179 HB3 ASP 24 HB3 ASP 24 -5.270 16.643 7.082 180 H LYS 25 H LYS 25 -6.135 12.605 5.372 181 HA LYS 25 HA LYS 25 -3.585 12.957 4.066 182 HB2 LYS 25 HB2 LYS 25 -3.053 12.486 6.477 183 HB3 LYS 25 HB3 LYS 25 -3.862 10.934 6.301 184 HG2 LYS 25 HG2 LYS 25 -2.212 10.157 4.781 185 HG3 LYS 25 HG3 LYS 25 -1.500 11.765 4.637 186 HD2 LYS 25 HD2 LYS 25 -1.598 10.149 7.183 187 HD3 LYS 25 HD3 LYS 25 -0.200 10.253 6.110 188 HE2 LYS 25 HE2 LYS 25 -0.094 12.662 6.472 189 HE3 LYS 25 HE3 LYS 25 -1.513 12.578 7.513 190 HZ1 LYS 25 HZ1 LYS 25 0.939 11.036 8.115 191 HZ2 LYS 25 HZ2 LYS 25 0.754 12.639 8.618 192 HZ3 LYS 25 HZ3 LYS 25 -0.328 11.457 9.163 193 H LEU 26 H LEU 26 -3.083 11.137 2.662 194 HA LEU 26 HA LEU 26 -5.538 9.886 1.734 195 HB2 LEU 26 HB2 LEU 26 -2.776 9.994 0.521 196 HB3 LEU 26 HB3 LEU 26 -4.130 9.153 -0.206 197 HG LEU 26 HG LEU 26 -5.326 11.441 -0.152 198 HD11 LEU 26 HD11 LEU 26 -2.462 12.352 0.123 199 HD12 LEU 26 HD12 LEU 26 -3.842 13.380 -0.265 200 HD13 LEU 26 HD13 LEU 26 -3.747 12.590 1.310 201 HD21 LEU 26 HD21 LEU 26 -4.582 10.304 -2.184 202 HD22 LEU 26 HD22 LEU 26 -4.353 12.048 -2.299 203 HD23 LEU 26 HD23 LEU 26 -2.972 10.998 -1.985 204 H LEU 27 H LEU 27 -5.576 7.623 1.074 205 HA LEU 27 HA LEU 27 -4.349 5.979 3.151 206 HB2 LEU 27 HB2 LEU 27 -6.591 5.471 1.206 207 HB3 LEU 27 HB3 LEU 27 -5.921 4.210 2.217 208 HG LEU 27 HG LEU 27 -7.897 4.926 3.274 209 HD11 LEU 27 HD11 LEU 27 -5.565 6.268 4.625 210 HD12 LEU 27 HD12 LEU 27 -7.109 5.883 5.388 211 HD13 LEU 27 HD13 LEU 27 -6.065 4.586 4.809 212 HD21 LEU 27 HD21 LEU 27 -6.918 7.759 2.961 213 HD22 LEU 27 HD22 LEU 27 -8.244 7.006 2.076 214 HD23 LEU 27 HD23 LEU 27 -8.380 7.266 3.815 215 H PHE 28 H PHE 28 -2.590 4.845 2.747 216 HA PHE 28 HA PHE 28 -2.147 3.881 0.003 217 HB2 PHE 28 HB2 PHE 28 -0.287 5.250 0.837 218 HB3 PHE 28 HB3 PHE 28 -0.154 4.223 2.261 219 HD1 PHE 28 HD1 PHE 28 -0.061 4.015 -1.452 220 HD2 PHE 28 HD2 PHE 28 1.361 2.489 2.258 221 HE1 PHE 28 HE1 PHE 28 1.490 2.533 -2.658 222 HE2 PHE 28 HE2 PHE 28 2.906 1.000 1.060 223 HZ PHE 28 HZ PHE 28 2.969 1.019 -1.402 224 H VAL 29 H VAL 29 -3.112 1.958 -0.120 225 HA VAL 29 HA VAL 29 -2.994 0.163 2.201 226 HB VAL 29 HB VAL 29 -4.718 -0.070 -0.269 227 HG11 VAL 29 HG11 VAL 29 -6.015 -1.656 1.061 228 HG12 VAL 29 HG12 VAL 29 -4.343 -2.189 0.873 229 HG13 VAL 29 HG13 VAL 29 -4.874 -1.469 2.393 230 HG21 VAL 29 HG21 VAL 29 -5.272 1.958 0.969 231 HG22 VAL 29 HG22 VAL 29 -6.556 0.756 1.112 232 HG23 VAL 29 HG23 VAL 29 -5.436 1.014 2.449 233 H ASP 30 H ASP 30 -1.522 -1.398 2.174 234 HA ASP 30 HA ASP 30 -0.588 -2.409 -0.428 235 HB2 ASP 30 HB2 ASP 30 1.258 -1.658 0.927 236 HB3 ASP 30 HB3 ASP 30 0.679 -2.580 2.313 237 H CYS 31 H CYS 31 -1.144 -4.363 -1.060 238 HA CYS 31 HA CYS 31 -2.057 -6.286 0.969 239 HB2 CYS 31 HB2 CYS 31 -3.150 -5.892 -1.823 240 HB3 CYS 31 HB3 CYS 31 -3.603 -7.207 -0.745 241 HG CYS 31 HG CYS 31 -4.086 -4.621 1.043 242 H PHE 32 H PHE 32 -0.507 -7.758 1.136 243 HA PHE 32 HA PHE 32 0.816 -8.682 -1.318 244 HB2 PHE 32 HB2 PHE 32 2.579 -9.580 0.184 245 HB3 PHE 32 HB3 PHE 32 2.391 -7.838 0.326 246 HD1 PHE 32 HD1 PHE 32 1.206 -6.893 2.310 247 HD2 PHE 32 HD2 PHE 32 2.275 -11.003 2.031 248 HE1 PHE 32 HE1 PHE 32 0.944 -7.124 4.746 249 HE2 PHE 32 HE2 PHE 32 2.020 -11.239 4.466 250 HZ PHE 32 HZ PHE 32 1.354 -9.296 5.826 251 H THR 33 H THR 33 1.222 -10.993 -1.496 252 HA THR 33 HA THR 33 -1.076 -12.479 -0.450 253 HB THR 33 HB THR 33 0.793 -13.412 -2.632 254 HG1 THR 33 HG1 THR 33 -0.287 -11.235 -2.954 255 HG21 THR 33 HG21 THR 33 -1.219 -14.650 -3.371 256 HG22 THR 33 HG22 THR 33 -0.723 -15.098 -1.739 257 HG23 THR 33 HG23 THR 33 -2.098 -14.020 -1.977 258 H THR 34 H THR 34 -0.660 -14.837 0.052 259 HA THR 34 HA THR 34 1.256 -14.902 2.155 260 HB THR 34 HB THR 34 0.412 -17.343 2.324 261 HG1 THR 34 HG1 THR 34 -0.684 -17.836 0.559 262 HG21 THR 34 HG21 THR 34 -1.479 -15.008 2.627 263 HG22 THR 34 HG22 THR 34 -1.671 -16.586 3.390 264 HG23 THR 34 HG23 THR 34 -0.303 -15.558 3.820 265 H TRP 35 H TRP 35 1.331 -16.009 -1.146 266 HA TRP 35 HA TRP 35 3.294 -18.026 -0.824 267 HB2 TRP 35 HB2 TRP 35 2.710 -16.290 -3.228 268 HB3 TRP 35 HB3 TRP 35 3.762 -17.699 -3.238 269 HD1 TRP 35 HD1 TRP 35 2.232 -19.977 -2.078 270 HE1 TRP 35 HE1 TRP 35 -0.039 -20.779 -2.997 271 HE3 TRP 35 HE3 TRP 35 0.838 -15.724 -4.480 272 HZ2 TRP 35 HZ2 TRP 35 -2.149 -19.713 -4.575 273 HZ3 TRP 35 HZ3 TRP 35 -1.317 -15.680 -5.688 274 HH2 TRP 35 HH2 TRP 35 -2.778 -17.638 -5.729 275 H CYS 36 H CYS 36 5.539 -17.868 -1.609 276 HA CYS 36 HA CYS 36 6.730 -15.513 -0.408 277 HB2 CYS 36 HB2 CYS 36 8.836 -16.839 -0.498 278 HB3 CYS 36 HB3 CYS 36 7.544 -17.652 0.378 279 HG CYS 36 HG CYS 36 6.897 -19.371 -1.750 280 H GLY 37 H GLY 37 8.906 -14.841 -1.462 281 HA2 GLY 37 HA2 GLY 37 10.048 -14.686 -3.648 282 HA3 GLY 37 HA3 GLY 37 8.453 -14.591 -4.374 283 HA PRO 38 HA PRO 38 9.083 -10.228 -4.634 284 HB2 PRO 38 HB2 PRO 38 6.114 -10.171 -4.499 285 HB3 PRO 38 HB3 PRO 38 7.201 -9.458 -5.695 286 HG2 PRO 38 HG2 PRO 38 5.810 -11.660 -6.258 287 HG3 PRO 38 HG3 PRO 38 7.475 -11.458 -6.833 288 HD2 PRO 38 HD2 PRO 38 6.435 -13.134 -4.592 289 HD3 PRO 38 HD3 PRO 38 7.754 -13.462 -5.730 290 H CYS 39 H CYS 39 6.956 -11.639 -2.209 291 HA CYS 39 HA CYS 39 6.458 -9.341 -0.689 292 HB2 CYS 39 HB2 CYS 39 6.673 -12.194 0.291 293 HB3 CYS 39 HB3 CYS 39 5.842 -10.872 1.105 294 HG CYS 39 HG CYS 39 3.911 -12.574 0.009 295 H LYS 40 H LYS 40 8.885 -11.908 -0.071 296 HA LYS 40 HA LYS 40 10.142 -10.541 2.053 297 HB2 LYS 40 HB2 LYS 40 10.390 -12.951 1.707 298 HB3 LYS 40 HB3 LYS 40 11.259 -12.657 0.207 299 HG2 LYS 40 HG2 LYS 40 13.028 -11.516 1.499 300 HG3 LYS 40 HG3 LYS 40 12.168 -11.925 2.983 301 HD2 LYS 40 HD2 LYS 40 13.236 -13.906 0.974 302 HD3 LYS 40 HD3 LYS 40 13.994 -13.493 2.514 303 HE2 LYS 40 HE2 LYS 40 12.026 -14.307 3.705 304 HE3 LYS 40 HE3 LYS 40 11.260 -14.712 2.169 305 HZ1 LYS 40 HZ1 LYS 40 13.012 -16.298 1.736 306 HZ2 LYS 40 HZ2 LYS 40 13.789 -15.886 3.186 307 HZ3 LYS 40 HZ3 LYS 40 12.272 -16.646 3.222 308 H ARG 41 H ARG 41 10.568 -10.465 -1.397 309 HA ARG 41 HA ARG 41 13.048 -9.221 -1.621 310 HB2 ARG 41 HB2 ARG 41 11.312 -10.107 -3.413 311 HB3 ARG 41 HB3 ARG 41 10.807 -8.435 -3.422 312 HG2 ARG 41 HG2 ARG 41 12.418 -8.980 -5.197 313 HG3 ARG 41 HG3 ARG 41 12.972 -7.701 -4.108 314 HD2 ARG 41 HD2 ARG 41 14.419 -9.140 -2.986 315 HD3 ARG 41 HD3 ARG 41 13.664 -10.576 -3.663 316 HE ARG 41 HE ARG 41 14.624 -9.874 -5.842 317 HH11 ARG 41 HH11 ARG 41 16.082 -8.701 -2.877 318 HH12 ARG 41 HH12 ARG 41 17.657 -8.529 -3.577 319 HH21 ARG 41 HH21 ARG 41 16.688 -9.636 -6.760 320 HH22 ARG 41 HH22 ARG 41 18.012 -9.071 -5.779 321 H LEU 42 H LEU 42 9.816 -7.875 -1.155 322 HA LEU 42 HA LEU 42 10.718 -5.162 -1.009 323 HB2 LEU 42 HB2 LEU 42 8.117 -6.438 -0.155 324 HB3 LEU 42 HB3 LEU 42 8.419 -4.711 -0.182 325 HG LEU 42 HG LEU 42 8.408 -6.531 -2.587 326 HD11 LEU 42 HD11 LEU 42 6.376 -5.316 -3.202 327 HD12 LEU 42 HD12 LEU 42 6.183 -6.171 -1.671 328 HD13 LEU 42 HD13 LEU 42 6.448 -4.426 -1.681 329 HD21 LEU 42 HD21 LEU 42 8.611 -4.476 -3.888 330 HD22 LEU 42 HD22 LEU 42 8.731 -3.537 -2.401 331 HD23 LEU 42 HD23 LEU 42 10.000 -4.688 -2.822 332 H SER 43 H SER 43 9.799 -7.656 1.324 333 HA SER 43 HA SER 43 9.809 -6.208 3.661 334 HB2 SER 43 HB2 SER 43 10.764 -9.048 3.252 335 HB3 SER 43 HB3 SER 43 10.321 -8.332 4.802 336 HG SER 43 HG SER 43 8.373 -8.940 4.329 337 H LYS 44 H LYS 44 12.583 -7.321 1.818 338 HA LYS 44 HA LYS 44 14.387 -6.526 3.951 339 HB2 LYS 44 HB2 LYS 44 14.916 -8.519 2.610 340 HB3 LYS 44 HB3 LYS 44 15.011 -7.516 1.166 341 HG2 LYS 44 HG2 LYS 44 16.902 -6.331 2.051 342 HG3 LYS 44 HG3 LYS 44 16.765 -7.184 3.588 343 HD2 LYS 44 HD2 LYS 44 17.201 -9.310 2.396 344 HD3 LYS 44 HD3 LYS 44 17.445 -8.389 0.909 345 HE2 LYS 44 HE2 LYS 44 19.565 -8.963 2.052 346 HE3 LYS 44 HE3 LYS 44 19.319 -7.224 1.886 347 HZ1 LYS 44 HZ1 LYS 44 18.641 -7.089 4.169 348 HZ2 LYS 44 HZ2 LYS 44 18.701 -8.775 4.343 349 HZ3 LYS 44 HZ3 LYS 44 20.129 -7.895 4.100 350 H VAL 45 H VAL 45 13.501 -5.402 0.692 351 HA VAL 45 HA VAL 45 15.597 -3.422 0.723 352 HB VAL 45 HB VAL 45 13.413 -3.901 -1.302 353 HG11 VAL 45 HG11 VAL 45 14.767 -2.540 -2.814 354 HG12 VAL 45 HG12 VAL 45 14.250 -1.608 -1.409 355 HG13 VAL 45 HG13 VAL 45 15.904 -2.212 -1.508 356 HG21 VAL 45 HG21 VAL 45 15.203 -4.955 -2.618 357 HG22 VAL 45 HG22 VAL 45 16.317 -4.727 -1.269 358 HG23 VAL 45 HG23 VAL 45 14.924 -5.795 -1.092 359 H VAL 46 H VAL 46 12.007 -3.218 0.604 360 HA VAL 46 HA VAL 46 12.228 -0.339 0.831 361 HB VAL 46 HB VAL 46 9.800 -0.251 0.672 362 HG11 VAL 46 HG11 VAL 46 11.121 -0.317 -1.368 363 HG12 VAL 46 HG12 VAL 46 11.058 -2.079 -1.366 364 HG13 VAL 46 HG13 VAL 46 9.580 -1.145 -1.595 365 HG21 VAL 46 HG21 VAL 46 9.255 -2.296 1.897 366 HG22 VAL 46 HG22 VAL 46 8.467 -2.251 0.319 367 HG23 VAL 46 HG23 VAL 46 9.893 -3.259 0.563 368 H PHE 47 H PHE 47 11.742 -2.996 2.942 369 HA PHE 47 HA PHE 47 10.771 -1.288 5.093 370 HB2 PHE 47 HB2 PHE 47 11.276 -4.254 4.907 371 HB3 PHE 47 HB3 PHE 47 10.860 -3.457 6.421 372 HD1 PHE 47 HD1 PHE 47 9.642 -4.491 3.129 373 HD2 PHE 47 HD2 PHE 47 8.642 -2.585 6.798 374 HE1 PHE 47 HE1 PHE 47 7.255 -4.678 2.567 375 HE2 PHE 47 HE2 PHE 47 6.252 -2.771 6.245 376 HZ PHE 47 HZ PHE 47 5.557 -3.819 4.127 377 H LYS 48 H LYS 48 13.411 -0.860 3.950 378 HA LYS 48 HA LYS 48 14.866 -1.002 6.495 379 HB2 LYS 48 HB2 LYS 48 16.026 -2.533 5.054 380 HB3 LYS 48 HB3 LYS 48 16.013 -1.375 3.728 381 HG2 LYS 48 HG2 LYS 48 17.417 0.137 5.176 382 HG3 LYS 48 HG3 LYS 48 17.584 -1.220 6.291 383 HD2 LYS 48 HD2 LYS 48 18.685 -2.538 4.628 384 HD3 LYS 48 HD3 LYS 48 18.346 -1.337 3.378 385 HE2 LYS 48 HE2 LYS 48 20.094 -0.904 5.802 386 HE3 LYS 48 HE3 LYS 48 20.676 -1.238 4.172 387 HZ1 LYS 48 HZ1 LYS 48 20.791 1.093 4.522 388 HZ2 LYS 48 HZ2 LYS 48 19.494 0.825 3.464 389 HZ3 LYS 48 HZ3 LYS 48 19.199 1.169 5.097 390 H ASP 49 H ASP 49 14.885 0.596 3.325 391 HA ASP 49 HA ASP 49 16.520 2.712 4.002 392 HB2 ASP 49 HB2 ASP 49 15.746 2.052 1.693 393 HB3 ASP 49 HB3 ASP 49 14.259 2.934 2.027 394 H SER 50 H SER 50 16.330 4.302 5.356 395 HA SER 50 HA SER 50 13.944 4.721 6.821 396 HB2 SER 50 HB2 SER 50 15.346 6.664 7.782 397 HB3 SER 50 HB3 SER 50 15.915 5.015 8.041 398 HG SER 50 HG SER 50 17.150 7.043 6.800 399 H LEU 51 H LEU 51 15.387 6.315 4.072 400 HA LEU 51 HA LEU 51 13.863 8.715 4.269 401 HB2 LEU 51 HB2 LEU 51 15.259 7.450 1.910 402 HB3 LEU 51 HB3 LEU 51 14.596 9.071 1.937 403 HG LEU 51 HG LEU 51 16.854 8.070 3.670 404 HD11 LEU 51 HD11 LEU 51 17.528 8.322 1.357 405 HD12 LEU 51 HD12 LEU 51 16.843 9.945 1.314 406 HD13 LEU 51 HD13 LEU 51 18.233 9.603 2.344 407 HD21 LEU 51 HD21 LEU 51 17.080 10.393 4.373 408 HD22 LEU 51 HD22 LEU 51 15.665 10.829 3.415 409 HD23 LEU 51 HD23 LEU 51 15.494 9.753 4.802 410 H VAL 52 H VAL 52 13.572 5.785 2.267 411 HA VAL 52 HA VAL 52 11.105 6.409 1.080 412 HB VAL 52 HB VAL 52 12.247 3.696 1.786 413 HG11 VAL 52 HG11 VAL 52 10.708 2.773 0.139 414 HG12 VAL 52 HG12 VAL 52 9.820 3.582 1.431 415 HG13 VAL 52 HG13 VAL 52 10.019 4.373 -0.132 416 HG21 VAL 52 HG21 VAL 52 13.661 5.000 0.280 417 HG22 VAL 52 HG22 VAL 52 12.938 3.625 -0.555 418 HG23 VAL 52 HG23 VAL 52 12.289 5.246 -0.801 419 H ALA 53 H ALA 53 11.861 4.642 4.057 420 HA ALA 53 HA ALA 53 9.239 4.025 4.818 421 HB1 ALA 53 HB1 ALA 53 10.134 3.621 7.018 422 HB2 ALA 53 HB2 ALA 53 11.280 3.039 5.812 423 HB3 ALA 53 HB3 ALA 53 11.575 4.566 6.644 424 H ASP 54 H ASP 54 11.208 6.887 5.428 425 HA ASP 54 HA ASP 54 9.473 8.145 7.256 426 HB2 ASP 54 HB2 ASP 54 11.806 8.846 6.950 427 HB3 ASP 54 HB3 ASP 54 11.437 9.392 5.319 428 H TYR 55 H TYR 55 9.760 8.352 3.745 429 HA TYR 55 HA TYR 55 7.949 10.451 3.357 430 HB2 TYR 55 HB2 TYR 55 9.607 9.490 1.688 431 HB3 TYR 55 HB3 TYR 55 8.439 8.204 1.404 432 HD1 TYR 55 HD1 TYR 55 8.893 11.881 1.238 433 HD2 TYR 55 HD2 TYR 55 6.645 8.526 -0.096 434 HE1 TYR 55 HE1 TYR 55 7.766 13.301 -0.417 435 HE2 TYR 55 HE2 TYR 55 5.512 9.943 -1.760 436 HH TYR 55 HH TYR 55 6.597 13.144 -2.473 437 H PHE 56 H PHE 56 7.431 6.925 3.264 438 HA PHE 56 HA PHE 56 4.669 7.147 2.636 439 HB2 PHE 56 HB2 PHE 56 6.411 4.893 3.574 440 HB3 PHE 56 HB3 PHE 56 4.667 4.693 3.453 441 HD1 PHE 56 HD1 PHE 56 3.560 5.094 1.224 442 HD2 PHE 56 HD2 PHE 56 7.776 4.732 1.678 443 HE1 PHE 56 HE1 PHE 56 3.771 4.610 -1.178 444 HE2 PHE 56 HE2 PHE 56 7.996 4.247 -0.724 445 HZ PHE 56 HZ PHE 56 5.992 4.184 -2.155 446 H ASN 57 H ASN 57 6.387 6.468 5.689 447 HA ASN 57 HA ASN 57 4.110 6.120 7.288 448 HB2 ASN 57 HB2 ASN 57 6.959 6.865 7.845 449 HB3 ASN 57 HB3 ASN 57 5.776 6.975 9.141 450 HD21 ASN 57 HD21 ASN 57 6.912 5.365 10.278 451 HD22 ASN 57 HD22 ASN 57 6.783 3.694 9.839 452 H ARG 58 H ARG 58 5.694 9.010 6.156 453 HA ARG 58 HA ARG 58 4.307 10.711 8.048 454 HB2 ARG 58 HB2 ARG 58 6.654 11.136 7.376 455 HB3 ARG 58 HB3 ARG 58 6.104 11.450 5.737 456 HG2 ARG 58 HG2 ARG 58 4.797 13.351 6.540 457 HG3 ARG 58 HG3 ARG 58 5.357 13.034 8.184 458 HD2 ARG 58 HD2 ARG 58 7.030 13.829 5.806 459 HD3 ARG 58 HD3 ARG 58 6.695 14.791 7.247 460 HE ARG 58 HE ARG 58 8.317 12.325 7.235 461 HH11 ARG 58 HH11 ARG 58 7.625 15.546 8.427 462 HH12 ARG 58 HH12 ARG 58 8.912 15.519 9.600 463 HH21 ARG 58 HH21 ARG 58 10.004 12.289 8.765 464 HH22 ARG 58 HH22 ARG 58 10.250 13.672 9.798 465 H HIS 59 H HIS 59 4.363 10.299 4.493 466 HA HIS 59 HA HIS 59 2.402 12.416 4.235 467 HB2 HIS 59 HB2 HIS 59 3.949 10.789 2.240 468 HB3 HIS 59 HB3 HIS 59 2.659 11.882 1.748 469 HD1 HIS 59 HD1 HIS 59 3.251 14.288 1.487 470 HD2 HIS 59 HD2 HIS 59 6.159 12.158 3.563 471 HE1 HIS 59 HE1 HIS 59 5.188 15.869 1.761 472 HE2 HIS 59 HE2 HIS 59 6.830 14.636 3.218 473 H PHE 60 H PHE 60 2.290 8.992 4.413 474 HA PHE 60 HA PHE 60 -0.468 9.075 3.392 475 HB2 PHE 60 HB2 PHE 60 1.600 6.943 2.837 476 HB3 PHE 60 HB3 PHE 60 -0.113 6.780 2.468 477 HD1 PHE 60 HD1 PHE 60 -1.155 8.298 0.795 478 HD2 PHE 60 HD2 PHE 60 3.054 8.137 1.405 479 HE1 PHE 60 HE1 PHE 60 -0.798 9.381 -1.385 480 HE2 PHE 60 HE2 PHE 60 3.415 9.216 -0.775 481 HZ PHE 60 HZ PHE 60 1.488 9.838 -2.175 482 H VAL 61 H VAL 61 -1.869 7.397 4.201 483 HA VAL 61 HA VAL 61 -1.086 6.388 6.834 484 HB VAL 61 HB VAL 61 -3.775 6.223 5.447 485 HG11 VAL 61 HG11 VAL 61 -2.982 5.618 8.295 486 HG12 VAL 61 HG12 VAL 61 -4.633 5.635 7.675 487 HG13 VAL 61 HG13 VAL 61 -3.479 4.446 7.072 488 HG21 VAL 61 HG21 VAL 61 -4.472 7.966 7.046 489 HG22 VAL 61 HG22 VAL 61 -2.799 8.113 7.585 490 HG23 VAL 61 HG23 VAL 61 -3.231 8.528 5.926 491 H ASN 62 H ASN 62 -0.066 4.509 6.829 492 HA ASN 62 HA ASN 62 -0.178 2.801 4.498 493 HB2 ASN 62 HB2 ASN 62 1.409 2.597 7.066 494 HB3 ASN 62 HB3 ASN 62 1.580 1.501 5.698 495 HD21 ASN 62 HD21 ASN 62 2.101 4.740 6.860 496 HD22 ASN 62 HD22 ASN 62 3.196 5.225 5.612 497 H LEU 63 H LEU 63 -1.918 1.568 4.335 498 HA LEU 63 HA LEU 63 -2.959 0.230 6.730 499 HB2 LEU 63 HB2 LEU 63 -4.543 1.537 5.360 500 HB3 LEU 63 HB3 LEU 63 -4.177 0.519 3.981 501 HG LEU 63 HG LEU 63 -5.088 -1.429 5.198 502 HD11 LEU 63 HD11 LEU 63 -4.676 -0.673 7.472 503 HD12 LEU 63 HD12 LEU 63 -5.860 0.620 7.270 504 HD13 LEU 63 HD13 LEU 63 -6.380 -1.065 7.242 505 HD21 LEU 63 HD21 LEU 63 -6.972 0.917 4.980 506 HD22 LEU 63 HD22 LEU 63 -6.512 -0.170 3.670 507 HD23 LEU 63 HD23 LEU 63 -7.441 -0.780 5.038 508 H LYS 64 H LYS 64 -2.632 -1.853 7.052 509 HA LYS 64 HA LYS 64 -1.398 -3.434 4.917 510 HB2 LYS 64 HB2 LYS 64 -0.192 -3.327 7.044 511 HB3 LYS 64 HB3 LYS 64 -1.606 -3.927 7.894 512 HG2 LYS 64 HG2 LYS 64 -1.419 -6.061 6.784 513 HG3 LYS 64 HG3 LYS 64 -0.074 -5.464 5.809 514 HD2 LYS 64 HD2 LYS 64 1.265 -5.148 7.816 515 HD3 LYS 64 HD3 LYS 64 -0.085 -5.682 8.817 516 HE2 LYS 64 HE2 LYS 64 1.263 -7.372 6.716 517 HE3 LYS 64 HE3 LYS 64 1.641 -7.428 8.436 518 HZ1 LYS 64 HZ1 LYS 64 0.140 -9.183 7.931 519 HZ2 LYS 64 HZ2 LYS 64 -0.717 -8.029 8.832 520 HZ3 LYS 64 HZ3 LYS 64 -0.946 -8.142 7.154 521 H MET 65 H MET 65 -2.593 -4.837 3.824 522 HA MET 65 HA MET 65 -4.868 -6.120 5.178 523 HB2 MET 65 HB2 MET 65 -4.842 -4.688 2.549 524 HB3 MET 65 HB3 MET 65 -5.911 -6.065 2.768 525 HG2 MET 65 HG2 MET 65 -5.875 -3.644 4.551 526 HG3 MET 65 HG3 MET 65 -6.978 -3.874 3.194 527 HE1 MET 65 HE1 MET 65 -9.392 -4.408 6.193 528 HE2 MET 65 HE2 MET 65 -8.070 -3.245 6.091 529 HE3 MET 65 HE3 MET 65 -9.092 -3.543 4.685 530 H ASP 66 H ASP 66 -4.689 -8.236 5.149 531 HA ASP 66 HA ASP 66 -2.951 -9.537 3.214 532 HB2 ASP 66 HB2 ASP 66 -4.393 -10.540 5.675 533 HB3 ASP 66 HB3 ASP 66 -3.469 -11.577 4.605 534 H MET 67 H MET 67 -3.701 -11.265 1.889 535 HA MET 67 HA MET 67 -6.184 -10.654 0.647 536 HB2 MET 67 HB2 MET 67 -4.341 -13.025 0.282 537 HB3 MET 67 HB3 MET 67 -5.704 -12.651 -0.763 538 HG2 MET 67 HG2 MET 67 -3.327 -10.859 -0.325 539 HG3 MET 67 HG3 MET 67 -3.536 -11.950 -1.693 540 HE1 MET 67 HE1 MET 67 -2.895 -8.921 -2.154 541 HE2 MET 67 HE2 MET 67 -3.219 -10.054 -3.467 542 HE3 MET 67 HE3 MET 67 -4.059 -8.504 -3.410 543 H GLU 68 H GLU 68 -5.325 -12.713 3.224 544 HA GLU 68 HA GLU 68 -7.879 -14.165 3.007 545 HB2 GLU 68 HB2 GLU 68 -6.741 -15.885 4.461 546 HB3 GLU 68 HB3 GLU 68 -6.102 -15.731 2.828 547 HG2 GLU 68 HG2 GLU 68 -4.198 -14.560 3.583 548 HG3 GLU 68 HG3 GLU 68 -4.890 -14.323 5.187 549 H LYS 69 H LYS 69 -7.003 -11.533 4.418 550 HA LYS 69 HA LYS 69 -8.088 -12.263 7.048 551 HB2 LYS 69 HB2 LYS 69 -5.605 -11.906 7.075 552 HB3 LYS 69 HB3 LYS 69 -5.892 -10.248 6.570 553 HG2 LYS 69 HG2 LYS 69 -6.992 -9.731 8.599 554 HG3 LYS 69 HG3 LYS 69 -7.029 -11.427 9.082 555 HD2 LYS 69 HD2 LYS 69 -4.554 -11.429 9.115 556 HD3 LYS 69 HD3 LYS 69 -4.577 -9.705 8.745 557 HE2 LYS 69 HE2 LYS 69 -5.669 -9.216 10.825 558 HE3 LYS 69 HE3 LYS 69 -5.881 -10.934 11.167 559 HZ1 LYS 69 HZ1 LYS 69 -3.283 -9.504 10.985 560 HZ2 LYS 69 HZ2 LYS 69 -4.027 -10.043 12.413 561 HZ3 LYS 69 HZ3 LYS 69 -3.472 -11.162 11.269 562 H GLY 70 H GLY 70 -9.782 -11.106 7.641 563 HA2 GLY 70 HA2 GLY 70 -11.319 -9.414 7.793 564 HA3 GLY 70 HA3 GLY 70 -10.060 -8.323 7.237 565 H GLU 71 H GLU 71 -10.905 -7.160 5.665 566 HA GLU 71 HA GLU 71 -12.732 -8.376 3.754 567 HB2 GLU 71 HB2 GLU 71 -11.927 -5.566 4.402 568 HB3 GLU 71 HB3 GLU 71 -12.671 -5.915 2.850 569 HG2 GLU 71 HG2 GLU 71 -14.314 -5.155 4.461 570 HG3 GLU 71 HG3 GLU 71 -14.633 -6.816 3.973 571 H GLY 72 H GLY 72 -9.569 -8.525 3.975 572 HA2 GLY 72 HA2 GLY 72 -8.431 -7.478 1.665 573 HA3 GLY 72 HA3 GLY 72 -7.878 -8.932 2.479 574 H VAL 73 H VAL 73 -10.148 -10.533 2.090 575 HA VAL 73 HA VAL 73 -9.633 -11.516 -0.510 576 HB VAL 73 HB VAL 73 -10.314 -13.025 1.270 577 HG11 VAL 73 HG11 VAL 73 -11.839 -11.551 2.472 578 HG12 VAL 73 HG12 VAL 73 -13.006 -11.677 1.154 579 HG13 VAL 73 HG13 VAL 73 -12.595 -13.102 2.110 580 HG21 VAL 73 HG21 VAL 73 -11.949 -14.358 0.055 581 HG22 VAL 73 HG22 VAL 73 -12.365 -12.964 -0.942 582 HG23 VAL 73 HG23 VAL 73 -10.757 -13.676 -1.051 583 H GLU 74 H GLU 74 -12.212 -9.490 0.816 584 HA GLU 74 HA GLU 74 -13.798 -9.554 -1.553 585 HB2 GLU 74 HB2 GLU 74 -14.755 -8.955 0.652 586 HB3 GLU 74 HB3 GLU 74 -13.799 -7.477 0.651 587 HG2 GLU 74 HG2 GLU 74 -14.966 -6.710 -1.340 588 HG3 GLU 74 HG3 GLU 74 -15.905 -8.199 -1.377 589 H LEU 75 H LEU 75 -11.273 -7.437 -0.295 590 HA LEU 75 HA LEU 75 -11.405 -5.453 -2.279 591 HB2 LEU 75 HB2 LEU 75 -8.994 -6.451 -0.753 592 HB3 LEU 75 HB3 LEU 75 -9.057 -4.963 -1.677 593 HG LEU 75 HG LEU 75 -10.693 -5.573 0.790 594 HD11 LEU 75 HD11 LEU 75 -8.369 -3.696 0.375 595 HD12 LEU 75 HD12 LEU 75 -9.307 -3.878 1.858 596 HD13 LEU 75 HD13 LEU 75 -8.324 -5.217 1.268 597 HD21 LEU 75 HD21 LEU 75 -10.487 -3.038 -0.832 598 HD22 LEU 75 HD22 LEU 75 -11.875 -4.124 -0.797 599 HD23 LEU 75 HD23 LEU 75 -11.402 -3.250 0.661 600 H ARG 76 H ARG 76 -9.716 -8.538 -2.145 601 HA ARG 76 HA ARG 76 -8.204 -8.348 -4.478 602 HB2 ARG 76 HB2 ARG 76 -8.074 -10.156 -2.732 603 HB3 ARG 76 HB3 ARG 76 -9.535 -10.849 -3.420 604 HG2 ARG 76 HG2 ARG 76 -8.356 -11.131 -5.567 605 HG3 ARG 76 HG3 ARG 76 -6.886 -10.514 -4.813 606 HD2 ARG 76 HD2 ARG 76 -6.749 -12.890 -4.793 607 HD3 ARG 76 HD3 ARG 76 -7.071 -12.367 -3.141 608 HE ARG 76 HE ARG 76 -9.474 -12.985 -4.561 609 HH11 ARG 76 HH11 ARG 76 -6.774 -14.430 -2.854 610 HH12 ARG 76 HH12 ARG 76 -7.654 -15.861 -2.407 611 HH21 ARG 76 HH21 ARG 76 -10.639 -14.878 -3.977 612 HH22 ARG 76 HH22 ARG 76 -9.840 -16.113 -3.049 613 H LYS 77 H LYS 77 -11.528 -9.477 -3.996 614 HA LYS 77 HA LYS 77 -11.958 -10.062 -6.773 615 HB2 LYS 77 HB2 LYS 77 -13.135 -11.279 -5.010 616 HB3 LYS 77 HB3 LYS 77 -13.890 -9.791 -4.461 617 HG2 LYS 77 HG2 LYS 77 -15.124 -9.622 -6.543 618 HG3 LYS 77 HG3 LYS 77 -14.326 -11.076 -7.148 619 HD2 LYS 77 HD2 LYS 77 -15.323 -12.388 -5.347 620 HD3 LYS 77 HD3 LYS 77 -16.091 -10.936 -4.702 621 HE2 LYS 77 HE2 LYS 77 -16.600 -12.121 -7.431 622 HE3 LYS 77 HE3 LYS 77 -17.642 -12.318 -6.024 623 HZ1 LYS 77 HZ1 LYS 77 -17.938 -9.898 -5.983 624 HZ2 LYS 77 HZ2 LYS 77 -17.005 -9.761 -7.397 625 HZ3 LYS 77 HZ3 LYS 77 -18.488 -10.582 -7.436 626 H LYS 78 H LYS 78 -12.385 -7.330 -4.698 627 HA LYS 78 HA LYS 78 -14.292 -5.903 -6.226 628 HB2 LYS 78 HB2 LYS 78 -13.849 -5.468 -3.842 629 HB3 LYS 78 HB3 LYS 78 -12.235 -4.906 -4.245 630 HG2 LYS 78 HG2 LYS 78 -13.423 -2.946 -3.952 631 HG3 LYS 78 HG3 LYS 78 -13.439 -3.163 -5.703 632 HD2 LYS 78 HD2 LYS 78 -15.682 -4.074 -5.601 633 HD3 LYS 78 HD3 LYS 78 -15.659 -3.984 -3.838 634 HE2 LYS 78 HE2 LYS 78 -15.373 -1.523 -4.021 635 HE3 LYS 78 HE3 LYS 78 -15.546 -1.672 -5.769 636 HZ1 LYS 78 HZ1 LYS 78 -17.652 -1.087 -4.975 637 HZ2 LYS 78 HZ2 LYS 78 -17.763 -2.755 -5.265 638 HZ3 LYS 78 HZ3 LYS 78 -17.583 -2.180 -3.680 639 H TYR 79 H TYR 79 -10.754 -5.693 -5.993 640 HA TYR 79 HA TYR 79 -10.748 -3.678 -8.115 641 HB2 TYR 79 HB2 TYR 79 -8.540 -4.611 -6.271 642 HB3 TYR 79 HB3 TYR 79 -8.391 -3.317 -7.458 643 HD1 TYR 79 HD1 TYR 79 -9.967 -4.304 -4.271 644 HD2 TYR 79 HD2 TYR 79 -9.315 -1.140 -7.036 645 HE1 TYR 79 HE1 TYR 79 -10.787 -2.695 -2.608 646 HE2 TYR 79 HE2 TYR 79 -10.137 0.481 -5.378 647 HH TYR 79 HH TYR 79 -11.601 0.492 -3.374 648 H GLY 80 H GLY 80 -10.514 -6.966 -7.854 649 HA2 GLY 80 HA2 GLY 80 -9.962 -8.604 -9.359 650 HA3 GLY 80 HA3 GLY 80 -9.948 -7.336 -10.574 651 H VAL 81 H VAL 81 -7.875 -7.707 -7.739 652 HA VAL 81 HA VAL 81 -5.556 -7.177 -9.338 653 HB VAL 81 HB VAL 81 -4.326 -7.358 -7.210 654 HG11 VAL 81 HG11 VAL 81 -5.272 -5.223 -7.842 655 HG12 VAL 81 HG12 VAL 81 -6.818 -5.663 -7.118 656 HG13 VAL 81 HG13 VAL 81 -5.400 -5.432 -6.096 657 HG21 VAL 81 HG21 VAL 81 -7.021 -8.008 -6.024 658 HG22 VAL 81 HG22 VAL 81 -5.639 -9.098 -6.127 659 HG23 VAL 81 HG23 VAL 81 -5.554 -7.661 -5.107 660 H HIS 82 H HIS 82 -3.922 -8.579 -9.909 661 HA HIS 82 HA HIS 82 -4.399 -11.435 -9.322 662 HB2 HIS 82 HB2 HIS 82 -3.523 -10.282 -11.980 663 HB3 HIS 82 HB3 HIS 82 -3.742 -11.988 -11.617 664 HD1 HIS 82 HD1 HIS 82 -5.361 -9.445 -13.357 665 HD2 HIS 82 HD2 HIS 82 -6.666 -12.289 -10.618 666 HE1 HIS 82 HE1 HIS 82 -7.843 -9.646 -13.718 667 HE2 HIS 82 HE2 HIS 82 -8.635 -11.241 -11.932 668 H ALA 83 H ALA 83 -2.372 -9.122 -8.574 669 HA ALA 83 HA ALA 83 0.100 -10.545 -9.297 670 HB1 ALA 83 HB1 ALA 83 -0.263 -7.756 -8.201 671 HB2 ALA 83 HB2 ALA 83 1.267 -8.491 -8.680 672 HB3 ALA 83 HB3 ALA 83 0.024 -8.176 -9.890 673 H TYR 84 H TYR 84 1.851 -10.096 -7.436 674 HA TYR 84 HA TYR 84 0.725 -11.407 -5.088 675 HB2 TYR 84 HB2 TYR 84 3.609 -10.843 -5.794 676 HB3 TYR 84 HB3 TYR 84 3.065 -11.773 -4.402 677 HD1 TYR 84 HD1 TYR 84 1.458 -13.802 -5.016 678 HD2 TYR 84 HD2 TYR 84 4.216 -12.002 -7.703 679 HE1 TYR 84 HE1 TYR 84 1.448 -15.848 -6.380 680 HE2 TYR 84 HE2 TYR 84 4.214 -14.038 -9.083 681 HH TYR 84 HH TYR 84 3.727 -16.471 -8.790 682 HA PRO 85 HA PRO 85 2.071 -7.365 -3.103 683 HB2 PRO 85 HB2 PRO 85 3.669 -5.620 -4.580 684 HB3 PRO 85 HB3 PRO 85 4.254 -6.785 -3.394 685 HG2 PRO 85 HG2 PRO 85 4.695 -6.812 -6.199 686 HG3 PRO 85 HG3 PRO 85 5.164 -8.052 -5.025 687 HD2 PRO 85 HD2 PRO 85 2.826 -7.964 -6.855 688 HD3 PRO 85 HD3 PRO 85 3.694 -9.366 -6.191 689 H THR 86 H THR 86 0.642 -5.640 -2.959 690 HA THR 86 HA THR 86 -0.405 -4.554 -5.489 691 HB THR 86 HB THR 86 -2.244 -5.159 -3.193 692 HG1 THR 86 HG1 THR 86 -1.311 -7.145 -3.753 693 HG21 THR 86 HG21 THR 86 -3.920 -5.212 -5.000 694 HG22 THR 86 HG22 THR 86 -3.072 -3.668 -4.924 695 HG23 THR 86 HG23 THR 86 -2.649 -4.844 -6.168 696 H LEU 87 H LEU 87 -0.053 -2.429 -5.456 697 HA LEU 87 HA LEU 87 -0.191 -1.004 -2.891 698 HB2 LEU 87 HB2 LEU 87 1.109 -0.257 -5.513 699 HB3 LEU 87 HB3 LEU 87 0.945 0.855 -4.170 700 HG LEU 87 HG LEU 87 2.273 -0.838 -2.793 701 HD11 LEU 87 HD11 LEU 87 3.746 -2.325 -4.058 702 HD12 LEU 87 HD12 LEU 87 2.049 -2.758 -4.262 703 HD13 LEU 87 HD13 LEU 87 2.899 -1.895 -5.543 704 HD21 LEU 87 HD21 LEU 87 3.588 0.555 -5.116 705 HD22 LEU 87 HD22 LEU 87 3.213 1.263 -3.544 706 HD23 LEU 87 HD23 LEU 87 4.412 -0.025 -3.668 707 H LEU 88 H LEU 88 -2.073 -0.061 -2.506 708 HA LEU 88 HA LEU 88 -3.677 0.806 -4.824 709 HB2 LEU 88 HB2 LEU 88 -4.460 -1.195 -3.445 710 HB3 LEU 88 HB3 LEU 88 -4.782 -0.045 -2.162 711 HG LEU 88 HG LEU 88 -6.336 1.157 -3.692 712 HD11 LEU 88 HD11 LEU 88 -5.859 -1.229 -5.476 713 HD12 LEU 88 HD12 LEU 88 -7.087 0.013 -5.718 714 HD13 LEU 88 HD13 LEU 88 -5.378 0.433 -5.815 715 HD21 LEU 88 HD21 LEU 88 -6.918 -1.759 -3.210 716 HD22 LEU 88 HD22 LEU 88 -7.163 -0.443 -2.062 717 HD23 LEU 88 HD23 LEU 88 -8.118 -0.510 -3.544 718 H PHE 89 H PHE 89 -4.472 2.822 -4.845 719 HA PHE 89 HA PHE 89 -3.869 4.524 -2.525 720 HB2 PHE 89 HB2 PHE 89 -4.333 5.372 -5.392 721 HB3 PHE 89 HB3 PHE 89 -3.801 6.399 -4.065 722 HD1 PHE 89 HD1 PHE 89 -1.542 6.009 -3.057 723 HD2 PHE 89 HD2 PHE 89 -2.806 4.116 -6.652 724 HE1 PHE 89 HE1 PHE 89 0.802 5.499 -3.608 725 HE2 PHE 89 HE2 PHE 89 -0.467 3.598 -7.209 726 HZ PHE 89 HZ PHE 89 1.338 4.287 -5.686 727 H ILE 90 H ILE 90 -5.619 4.808 -1.303 728 HA ILE 90 HA ILE 90 -8.239 5.019 -2.624 729 HB ILE 90 HB ILE 90 -7.599 4.406 0.268 730 HG12 ILE 90 HG12 ILE 90 -7.093 2.540 -1.221 731 HG13 ILE 90 HG13 ILE 90 -8.512 2.178 -0.245 732 HG21 ILE 90 HG21 ILE 90 -9.674 5.673 0.062 733 HG22 ILE 90 HG22 ILE 90 -10.273 4.507 -1.118 734 HG23 ILE 90 HG23 ILE 90 -9.986 4.006 0.549 735 HD11 ILE 90 HD11 ILE 90 -8.516 3.060 -3.121 736 HD12 ILE 90 HD12 ILE 90 -8.820 1.429 -2.525 737 HD13 ILE 90 HD13 ILE 90 -9.950 2.731 -2.150 738 H ASN 91 H ASN 91 -9.340 6.879 -2.569 739 HA ASN 91 HA ASN 91 -8.079 9.142 -1.187 740 HB2 ASN 91 HB2 ASN 91 -9.419 10.565 -2.707 741 HB3 ASN 91 HB3 ASN 91 -8.363 9.464 -3.573 742 HD21 ASN 91 HD21 ASN 91 -9.236 7.821 -4.802 743 HD22 ASN 91 HD22 ASN 91 -10.917 7.759 -5.191 744 H SER 92 H SER 92 -9.976 10.944 -0.858 745 HA SER 92 HA SER 92 -11.229 10.038 1.504 746 HB2 SER 92 HB2 SER 92 -11.740 12.573 -0.064 747 HB3 SER 92 HB3 SER 92 -12.190 12.287 1.616 748 HG SER 92 HG SER 92 -9.558 11.765 1.176 749 H SER 93 H SER 93 -12.296 9.981 -1.780 750 HA SER 93 HA SER 93 -15.091 9.996 -1.157 751 HB2 SER 93 HB2 SER 93 -13.713 9.138 -3.707 752 HB3 SER 93 HB3 SER 93 -15.436 9.465 -3.521 753 HG SER 93 HG SER 93 -15.031 11.598 -3.291 754 H GLY 94 H GLY 94 -12.778 7.789 -0.520 755 HA2 GLY 94 HA2 GLY 94 -12.964 5.650 0.319 756 HA3 GLY 94 HA3 GLY 94 -14.699 5.746 0.048 757 H GLU 95 H GLU 95 -12.330 6.273 -2.459 758 HA GLU 95 HA GLU 95 -12.810 3.620 -3.568 759 HB2 GLU 95 HB2 GLU 95 -13.368 4.582 -5.780 760 HB3 GLU 95 HB3 GLU 95 -14.575 4.942 -4.554 761 HG2 GLU 95 HG2 GLU 95 -13.686 7.183 -4.306 762 HG3 GLU 95 HG3 GLU 95 -12.419 6.827 -5.479 763 H VAL 96 H VAL 96 -11.564 3.619 -5.853 764 HA VAL 96 HA VAL 96 -8.866 4.615 -5.216 765 HB VAL 96 HB VAL 96 -9.151 2.131 -5.360 766 HG11 VAL 96 HG11 VAL 96 -9.424 1.093 -7.560 767 HG12 VAL 96 HG12 VAL 96 -10.839 2.046 -7.111 768 HG13 VAL 96 HG13 VAL 96 -9.681 2.684 -8.278 769 HG21 VAL 96 HG21 VAL 96 -7.171 1.735 -6.728 770 HG22 VAL 96 HG22 VAL 96 -7.341 3.335 -7.450 771 HG23 VAL 96 HG23 VAL 96 -6.977 3.178 -5.731 772 H VAL 97 H VAL 97 -7.608 5.543 -6.883 773 HA VAL 97 HA VAL 97 -9.148 6.438 -9.228 774 HB VAL 97 HB VAL 97 -6.568 7.605 -8.153 775 HG11 VAL 97 HG11 VAL 97 -8.475 8.610 -10.266 776 HG12 VAL 97 HG12 VAL 97 -7.051 9.466 -9.673 777 HG13 VAL 97 HG13 VAL 97 -6.866 7.945 -10.547 778 HG21 VAL 97 HG21 VAL 97 -8.412 7.959 -6.584 779 HG22 VAL 97 HG22 VAL 97 -7.930 9.472 -7.352 780 HG23 VAL 97 HG23 VAL 97 -9.392 8.640 -7.882 781 H TYR 98 H TYR 98 -5.940 5.274 -8.228 782 HA TYR 98 HA TYR 98 -5.672 4.029 -10.882 783 HB2 TYR 98 HB2 TYR 98 -4.154 6.004 -10.568 784 HB3 TYR 98 HB3 TYR 98 -3.397 5.147 -9.228 785 HD1 TYR 98 HD1 TYR 98 -3.922 5.155 -12.867 786 HD2 TYR 98 HD2 TYR 98 -1.814 3.385 -9.627 787 HE1 TYR 98 HE1 TYR 98 -2.420 4.044 -14.461 788 HE2 TYR 98 HE2 TYR 98 -0.300 2.270 -11.215 789 HH TYR 98 HH TYR 98 -0.453 1.505 -13.686 790 H ARG 99 H ARG 99 -5.496 1.904 -10.808 791 HA ARG 99 HA ARG 99 -4.833 0.569 -8.293 792 HB2 ARG 99 HB2 ARG 99 -5.737 -0.514 -10.969 793 HB3 ARG 99 HB3 ARG 99 -5.387 -1.511 -9.566 794 HG2 ARG 99 HG2 ARG 99 -7.201 -0.506 -8.346 795 HG3 ARG 99 HG3 ARG 99 -7.512 0.617 -9.676 796 HD2 ARG 99 HD2 ARG 99 -8.026 -1.269 -11.148 797 HD3 ARG 99 HD3 ARG 99 -7.713 -2.391 -9.827 798 HE ARG 99 HE ARG 99 -9.660 -0.782 -8.838 799 HH11 ARG 99 HH11 ARG 99 -9.317 -2.613 -11.791 800 HH12 ARG 99 HH12 ARG 99 -11.016 -2.956 -11.940 801 HH21 ARG 99 HH21 ARG 99 -11.911 -1.244 -9.008 802 HH22 ARG 99 HH22 ARG 99 -12.485 -2.193 -10.348 803 H LEU 100 H LEU 100 -2.874 -0.246 -7.880 804 HA LEU 100 HA LEU 100 -1.015 -0.556 -10.142 805 HB2 LEU 100 HB2 LEU 100 -0.678 1.519 -8.653 806 HB3 LEU 100 HB3 LEU 100 -0.149 0.392 -7.415 807 HG LEU 100 HG LEU 100 1.168 0.487 -10.126 808 HD11 LEU 100 HD11 LEU 100 2.859 1.961 -9.141 809 HD12 LEU 100 HD12 LEU 100 1.273 2.734 -9.204 810 HD13 LEU 100 HD13 LEU 100 1.884 2.096 -7.677 811 HD21 LEU 100 HD21 LEU 100 2.121 -0.431 -7.410 812 HD22 LEU 100 HD22 LEU 100 1.631 -1.476 -8.743 813 HD23 LEU 100 HD23 LEU 100 3.065 -0.461 -8.900 814 H VAL 101 H VAL 101 -0.630 -2.652 -10.340 815 HA VAL 101 HA VAL 101 -0.258 -4.238 -7.890 816 HB VAL 101 HB VAL 101 -0.628 -6.245 -9.302 817 HG11 VAL 101 HG11 VAL 101 -2.868 -4.231 -9.373 818 HG12 VAL 101 HG12 VAL 101 -3.044 -5.980 -9.523 819 HG13 VAL 101 HG13 VAL 101 -2.459 -5.278 -8.015 820 HG21 VAL 101 HG21 VAL 101 -1.360 -4.244 -11.435 821 HG22 VAL 101 HG22 VAL 101 0.021 -5.339 -11.464 822 HG23 VAL 101 HG23 VAL 101 -1.620 -5.986 -11.529 823 H GLY 102 H GLY 102 1.611 -5.380 -7.584 824 HA2 GLY 102 HA2 GLY 102 3.677 -6.337 -8.336 825 HA3 GLY 102 HA3 GLY 102 3.665 -5.214 -9.688 826 H ALA 103 H ALA 103 5.969 -5.381 -8.349 827 HA ALA 103 HA ALA 103 6.110 -2.797 -6.999 828 HB1 ALA 103 HB1 ALA 103 7.364 -3.666 -5.109 829 HB2 ALA 103 HB2 ALA 103 5.775 -4.431 -5.190 830 HB3 ALA 103 HB3 ALA 103 7.207 -5.308 -5.731 831 H GLU 104 H GLU 104 8.352 -2.088 -6.675 832 HA GLU 104 HA GLU 104 10.172 -3.152 -8.733 833 HB2 GLU 104 HB2 GLU 104 9.883 -0.210 -8.174 834 HB3 GLU 104 HB3 GLU 104 10.632 -0.988 -9.559 835 HG2 GLU 104 HG2 GLU 104 7.685 -0.957 -8.957 836 HG3 GLU 104 HG3 GLU 104 8.507 0.097 -10.101 837 H ASP 105 H ASP 105 12.364 -1.737 -8.419 838 HA ASP 105 HA ASP 105 13.409 -2.194 -5.823 839 HB2 ASP 105 HB2 ASP 105 14.644 -1.816 -8.105 840 HB3 ASP 105 HB3 ASP 105 14.539 -0.111 -7.680 841 H ALA 106 H ALA 106 14.296 -0.313 -4.440 842 HA ALA 106 HA ALA 106 12.070 0.934 -3.351 843 HB1 ALA 106 HB1 ALA 106 13.574 2.111 -1.877 844 HB2 ALA 106 HB2 ALA 106 14.128 0.452 -2.107 845 HB3 ALA 106 HB3 ALA 106 14.934 1.776 -2.950 846 HA PRO 107 HA PRO 107 13.422 5.226 -5.185 847 HB2 PRO 107 HB2 PRO 107 14.983 5.124 -7.438 848 HB3 PRO 107 HB3 PRO 107 15.608 5.378 -5.807 849 HG2 PRO 107 HG2 PRO 107 15.498 2.866 -7.422 850 HG3 PRO 107 HG3 PRO 107 16.803 3.481 -6.392 851 HD2 PRO 107 HD2 PRO 107 15.145 1.540 -5.560 852 HD3 PRO 107 HD3 PRO 107 15.775 2.771 -4.445 853 H GLU 108 H GLU 108 13.235 2.557 -7.495 854 HA GLU 108 HA GLU 108 11.796 3.989 -9.473 855 HB2 GLU 108 HB2 GLU 108 12.112 1.023 -9.011 856 HB3 GLU 108 HB3 GLU 108 11.442 1.748 -10.463 857 HG2 GLU 108 HG2 GLU 108 14.235 2.189 -9.441 858 HG3 GLU 108 HG3 GLU 108 13.782 1.072 -10.727 859 H LEU 109 H LEU 109 10.853 1.841 -6.834 860 HA LEU 109 HA LEU 109 8.134 1.566 -7.439 861 HB2 LEU 109 HB2 LEU 109 9.373 0.318 -5.673 862 HB3 LEU 109 HB3 LEU 109 9.395 1.771 -4.703 863 HG LEU 109 HG LEU 109 6.941 1.730 -4.571 864 HD11 LEU 109 HD11 LEU 109 5.699 -0.222 -5.352 865 HD12 LEU 109 HD12 LEU 109 6.476 0.620 -6.694 866 HD13 LEU 109 HD13 LEU 109 7.170 -0.876 -6.070 867 HD21 LEU 109 HD21 LEU 109 6.748 -0.234 -3.117 868 HD22 LEU 109 HD22 LEU 109 8.270 -0.852 -3.757 869 HD23 LEU 109 HD23 LEU 109 8.249 0.646 -2.829 870 H LEU 110 H LEU 110 9.818 3.915 -5.426 871 HA LEU 110 HA LEU 110 7.625 5.483 -4.693 872 HB2 LEU 110 HB2 LEU 110 9.894 5.617 -3.694 873 HB3 LEU 110 HB3 LEU 110 10.459 6.412 -5.152 874 HG LEU 110 HG LEU 110 8.904 8.287 -4.712 875 HD11 LEU 110 HD11 LEU 110 8.357 6.809 -2.138 876 HD12 LEU 110 HD12 LEU 110 7.811 8.441 -2.526 877 HD13 LEU 110 HD13 LEU 110 7.212 7.067 -3.454 878 HD21 LEU 110 HD21 LEU 110 10.772 7.613 -2.439 879 HD22 LEU 110 HD22 LEU 110 11.214 8.407 -3.950 880 HD23 LEU 110 HD23 LEU 110 10.139 9.217 -2.811 881 H LYS 111 H LYS 111 9.628 5.558 -7.589 882 HA LYS 111 HA LYS 111 8.591 7.940 -8.684 883 HB2 LYS 111 HB2 LYS 111 9.955 5.546 -9.851 884 HB3 LYS 111 HB3 LYS 111 9.253 6.758 -10.911 885 HG2 LYS 111 HG2 LYS 111 10.651 8.459 -9.671 886 HG3 LYS 111 HG3 LYS 111 11.496 7.085 -8.944 887 HD2 LYS 111 HD2 LYS 111 12.188 6.285 -11.083 888 HD3 LYS 111 HD3 LYS 111 11.155 7.449 -11.914 889 HE2 LYS 111 HE2 LYS 111 12.534 9.269 -10.896 890 HE3 LYS 111 HE3 LYS 111 13.626 8.022 -10.291 891 HZ1 LYS 111 HZ1 LYS 111 12.980 8.558 -13.138 892 HZ2 LYS 111 HZ2 LYS 111 14.449 8.899 -12.359 893 HZ3 LYS 111 HZ3 LYS 111 13.962 7.289 -12.588 894 H LYS 112 H LYS 112 7.675 4.534 -9.207 895 HA LYS 112 HA LYS 112 5.801 5.118 -11.224 896 HB2 LYS 112 HB2 LYS 112 6.001 2.682 -9.453 897 HB3 LYS 112 HB3 LYS 112 5.002 2.801 -10.896 898 HG2 LYS 112 HG2 LYS 112 7.088 3.279 -12.197 899 HG3 LYS 112 HG3 LYS 112 8.001 2.903 -10.735 900 HD2 LYS 112 HD2 LYS 112 7.903 0.976 -12.216 901 HD3 LYS 112 HD3 LYS 112 7.047 0.659 -10.707 902 HE2 LYS 112 HE2 LYS 112 4.919 1.060 -11.797 903 HE3 LYS 112 HE3 LYS 112 5.743 1.485 -13.298 904 HZ1 LYS 112 HZ1 LYS 112 5.874 -1.180 -11.980 905 HZ2 LYS 112 HZ2 LYS 112 4.891 -0.796 -13.307 906 HZ3 LYS 112 HZ3 LYS 112 6.580 -0.760 -13.462 907 H VAL 113 H VAL 113 5.382 4.771 -7.708 908 HA VAL 113 HA VAL 113 2.580 4.818 -7.806 909 HB VAL 113 HB VAL 113 2.761 5.269 -5.412 910 HG11 VAL 113 HG11 VAL 113 2.843 2.992 -6.199 911 HG12 VAL 113 HG12 VAL 113 4.589 3.120 -6.409 912 HG13 VAL 113 HG13 VAL 113 3.888 3.189 -4.791 913 HG21 VAL 113 HG21 VAL 113 4.695 6.717 -5.353 914 HG22 VAL 113 HG22 VAL 113 4.941 5.320 -4.304 915 HG23 VAL 113 HG23 VAL 113 5.715 5.382 -5.886 916 H LYS 114 H LYS 114 5.027 7.357 -7.258 917 HA LYS 114 HA LYS 114 3.162 9.452 -6.895 918 HB2 LYS 114 HB2 LYS 114 6.053 9.489 -7.728 919 HB3 LYS 114 HB3 LYS 114 5.113 10.937 -7.385 920 HG2 LYS 114 HG2 LYS 114 4.674 10.029 -5.110 921 HG3 LYS 114 HG3 LYS 114 5.793 8.722 -5.474 922 HD2 LYS 114 HD2 LYS 114 6.913 10.451 -4.234 923 HD3 LYS 114 HD3 LYS 114 7.557 10.353 -5.874 924 HE2 LYS 114 HE2 LYS 114 7.217 12.660 -5.139 925 HE3 LYS 114 HE3 LYS 114 6.234 12.259 -6.543 926 HZ1 LYS 114 HZ1 LYS 114 5.249 12.261 -3.737 927 HZ2 LYS 114 HZ2 LYS 114 5.026 13.534 -4.833 928 HZ3 LYS 114 HZ3 LYS 114 4.320 12.027 -5.136 929 H LEU 115 H LEU 115 4.731 8.087 -9.711 930 HA LEU 115 HA LEU 115 3.968 10.071 -11.575 931 HB2 LEU 115 HB2 LEU 115 5.747 8.405 -11.971 932 HB3 LEU 115 HB3 LEU 115 4.541 7.137 -12.016 933 HG LEU 115 HG LEU 115 3.531 8.240 -14.016 934 HD11 LEU 115 HD11 LEU 115 4.334 10.498 -13.651 935 HD12 LEU 115 HD12 LEU 115 5.999 9.962 -13.873 936 HD13 LEU 115 HD13 LEU 115 4.865 9.899 -15.222 937 HD21 LEU 115 HD21 LEU 115 5.302 7.530 -15.574 938 HD22 LEU 115 HD22 LEU 115 6.428 7.421 -14.220 939 HD23 LEU 115 HD23 LEU 115 5.023 6.356 -14.289 940 H GLY 116 H GLY 116 2.430 7.123 -10.412 941 HA2 GLY 116 HA2 GLY 116 0.354 7.044 -12.334 942 HA3 GLY 116 HA3 GLY 116 0.345 6.237 -10.775 943 H VAL 117 H VAL 117 0.635 8.665 -9.226 944 HA VAL 117 HA VAL 117 -2.183 9.407 -9.294 945 HB VAL 117 HB VAL 117 -1.826 10.337 -7.059 946 HG11 VAL 117 HG11 VAL 117 -2.430 8.004 -7.247 947 HG12 VAL 117 HG12 VAL 117 -0.735 7.549 -7.417 948 HG13 VAL 117 HG13 VAL 117 -1.318 8.225 -5.897 949 HG21 VAL 117 HG21 VAL 117 1.038 9.442 -7.401 950 HG22 VAL 117 HG22 VAL 117 0.473 11.110 -7.316 951 HG23 VAL 117 HG23 VAL 117 0.323 10.055 -5.911 952 H GLU 118 H GLU 118 0.525 10.627 -10.651 953 HA GLU 118 HA GLU 118 1.209 12.638 -11.445 954 HB2 GLU 118 HB2 GLU 118 -1.726 13.263 -11.097 955 HB3 GLU 118 HB3 GLU 118 -0.593 14.318 -11.925 956 HG2 GLU 118 HG2 GLU 118 -1.184 11.485 -12.742 957 HG3 GLU 118 HG3 GLU 118 -1.944 12.913 -13.441 958 H SER 119 H SER 119 2.579 13.153 -9.717 959 HA SER 119 HA SER 119 1.533 14.542 -7.414 960 HB2 SER 119 HB2 SER 119 4.402 14.011 -8.225 961 HB3 SER 119 HB3 SER 119 3.864 14.595 -6.649 962 HG SER 119 HG SER 119 2.786 12.209 -7.664 963 H GLU 120 H GLU 120 4.020 15.410 -9.834 964 HA GLU 120 HA GLU 120 2.953 18.063 -10.113 965 HB2 GLU 120 HB2 GLU 120 5.041 19.207 -9.332 966 HB3 GLU 120 HB3 GLU 120 4.104 18.461 -8.046 967 HG2 GLU 120 HG2 GLU 120 5.634 16.608 -7.942 968 HG3 GLU 120 HG3 GLU 120 6.526 17.226 -9.331 969 H GLY 121 H GLY 121 5.794 15.993 -10.582 970 HA2 GLY 121 HA2 GLY 121 6.135 15.477 -13.038 971 HA3 GLY 121 HA3 GLY 121 6.158 17.225 -13.232 Start of MODEL 17 1 H ALA 1 H ALA 1 10.562 2.568 21.103 2 HA ALA 1 HA ALA 1 12.570 3.653 20.542 3 HB1 ALA 1 HB1 ALA 1 14.218 2.039 21.320 4 HB2 ALA 1 HB2 ALA 1 12.723 1.903 22.246 5 HB3 ALA 1 HB3 ALA 1 13.096 0.718 20.995 6 H GLN 2 H GLN 2 12.325 0.586 18.709 7 HA GLN 2 HA GLN 2 14.226 1.652 16.760 8 HB2 GLN 2 HB2 GLN 2 14.548 -0.663 17.509 9 HB3 GLN 2 HB3 GLN 2 12.934 -1.079 16.948 10 HG2 GLN 2 HG2 GLN 2 13.563 -0.697 14.666 11 HG3 GLN 2 HG3 GLN 2 15.131 -0.065 15.163 12 HE21 GLN 2 HE21 GLN 2 13.192 -2.929 14.747 13 HE22 GLN 2 HE22 GLN 2 14.498 -4.058 14.878 14 H ALA 3 H ALA 3 13.716 2.175 14.705 15 HA ALA 3 HA ALA 3 10.976 1.726 13.761 16 HB1 ALA 3 HB1 ALA 3 10.830 4.032 12.931 17 HB2 ALA 3 HB2 ALA 3 10.978 3.980 14.687 18 HB3 ALA 3 HB3 ALA 3 12.375 4.401 13.698 19 H ASP 4 H ASP 4 11.805 0.161 12.365 20 HA ASP 4 HA ASP 4 13.859 1.056 10.458 21 HB2 ASP 4 HB2 ASP 4 14.356 -0.962 11.853 22 HB3 ASP 4 HB3 ASP 4 12.999 -1.776 11.080 23 H GLY 5 H GLY 5 12.742 2.000 8.831 24 HA2 GLY 5 HA2 GLY 5 11.878 1.689 6.662 25 HA3 GLY 5 HA3 GLY 5 11.170 0.172 7.190 26 H ILE 6 H ILE 6 9.138 0.538 6.473 27 HA ILE 6 HA ILE 6 7.763 3.003 7.186 28 HB ILE 6 HB ILE 6 6.837 0.666 5.500 29 HG12 ILE 6 HG12 ILE 6 7.862 3.403 4.699 30 HG13 ILE 6 HG13 ILE 6 8.735 1.887 4.511 31 HG21 ILE 6 HG21 ILE 6 5.615 3.387 5.938 32 HG22 ILE 6 HG22 ILE 6 5.069 2.208 4.746 33 HG23 ILE 6 HG23 ILE 6 4.955 1.839 6.466 34 HD11 ILE 6 HD11 ILE 6 7.017 1.103 2.952 35 HD12 ILE 6 HD12 ILE 6 6.171 2.641 3.128 36 HD13 ILE 6 HD13 ILE 6 7.779 2.598 2.407 37 H ALA 7 H ALA 7 6.126 3.142 8.645 38 HA ALA 7 HA ALA 7 5.756 0.807 10.370 39 HB1 ALA 7 HB1 ALA 7 4.859 2.387 12.004 40 HB2 ALA 7 HB2 ALA 7 6.455 2.884 11.438 41 HB3 ALA 7 HB3 ALA 7 5.011 3.693 10.827 42 H PHE 8 H PHE 8 4.122 -0.467 9.790 43 HA PHE 8 HA PHE 8 1.732 0.666 8.573 44 HB2 PHE 8 HB2 PHE 8 2.724 -2.160 8.940 45 HB3 PHE 8 HB3 PHE 8 1.127 -1.784 8.311 46 HD1 PHE 8 HD1 PHE 8 0.848 -0.799 6.119 47 HD2 PHE 8 HD2 PHE 8 4.709 -1.746 7.636 48 HE1 PHE 8 HE1 PHE 8 1.790 -0.562 3.860 49 HE2 PHE 8 HE2 PHE 8 5.657 -1.513 5.380 50 HZ PHE 8 HZ PHE 8 4.195 -0.921 3.489 51 H ARG 9 H ARG 9 -0.372 0.234 9.363 52 HA ARG 9 HA ARG 9 -0.447 -0.509 12.210 53 HB2 ARG 9 HB2 ARG 9 -2.126 1.522 10.727 54 HB3 ARG 9 HB3 ARG 9 -2.502 0.946 12.348 55 HG2 ARG 9 HG2 ARG 9 -0.159 1.695 12.988 56 HG3 ARG 9 HG3 ARG 9 -0.131 2.547 11.444 57 HD2 ARG 9 HD2 ARG 9 -2.443 2.945 13.276 58 HD3 ARG 9 HD3 ARG 9 -0.918 3.735 13.655 59 HE ARG 9 HE ARG 9 -1.268 4.490 11.123 60 HH11 ARG 9 HH11 ARG 9 -3.580 4.319 13.732 61 HH12 ARG 9 HH12 ARG 9 -4.381 5.805 13.315 62 HH21 ARG 9 HH21 ARG 9 -2.312 6.482 10.547 63 HH22 ARG 9 HH22 ARG 9 -3.665 7.027 11.486 64 H GLU 10 H GLU 10 -2.273 -1.630 12.978 65 HA GLU 10 HA GLU 10 -3.454 -3.399 10.962 66 HB2 GLU 10 HB2 GLU 10 -3.113 -3.621 13.949 67 HB3 GLU 10 HB3 GLU 10 -4.117 -4.733 13.033 68 HG2 GLU 10 HG2 GLU 10 -1.201 -4.275 12.477 69 HG3 GLU 10 HG3 GLU 10 -1.816 -5.549 13.531 70 H LEU 11 H LEU 11 -5.169 -2.216 10.192 71 HA LEU 11 HA LEU 11 -7.413 -1.871 12.023 72 HB2 LEU 11 HB2 LEU 11 -6.355 0.159 10.051 73 HB3 LEU 11 HB3 LEU 11 -7.940 0.244 10.770 74 HG LEU 11 HG LEU 11 -5.357 0.334 12.322 75 HD11 LEU 11 HD11 LEU 11 -7.241 2.563 11.566 76 HD12 LEU 11 HD12 LEU 11 -5.822 2.710 12.602 77 HD13 LEU 11 HD13 LEU 11 -5.631 2.302 10.896 78 HD21 LEU 11 HD21 LEU 11 -7.229 -0.553 13.612 79 HD22 LEU 11 HD22 LEU 11 -6.776 1.057 14.176 80 HD23 LEU 11 HD23 LEU 11 -8.208 0.847 13.167 81 H SER 12 H SER 12 -9.492 -1.760 10.808 82 HA SER 12 HA SER 12 -9.385 -3.287 8.331 83 HB2 SER 12 HB2 SER 12 -11.901 -3.192 8.502 84 HB3 SER 12 HB3 SER 12 -11.104 -3.973 9.864 85 HG SER 12 HG SER 12 -11.408 -2.127 11.091 86 H PHE 13 H PHE 13 -11.089 -2.473 6.622 87 HA PHE 13 HA PHE 13 -10.012 -0.130 5.513 88 HB2 PHE 13 HB2 PHE 13 -11.097 -1.929 4.192 89 HB3 PHE 13 HB3 PHE 13 -12.658 -1.423 4.829 90 HD1 PHE 13 HD1 PHE 13 -9.806 -0.368 2.739 91 HD2 PHE 13 HD2 PHE 13 -13.836 0.384 3.882 92 HE1 PHE 13 HE1 PHE 13 -10.021 1.250 0.900 93 HE2 PHE 13 HE2 PHE 13 -14.057 2.006 2.043 94 HZ PHE 13 HZ PHE 13 -12.149 2.438 0.550 95 HA PRO 14 HA PRO 14 -14.160 2.120 6.953 96 HB2 PRO 14 HB2 PRO 14 -15.130 1.016 9.301 97 HB3 PRO 14 HB3 PRO 14 -15.836 0.777 7.700 98 HG2 PRO 14 HG2 PRO 14 -13.975 -0.983 9.235 99 HG3 PRO 14 HG3 PRO 14 -15.376 -1.425 8.239 100 HD2 PRO 14 HD2 PRO 14 -12.887 -1.721 7.320 101 HD3 PRO 14 HD3 PRO 14 -14.195 -1.171 6.251 102 H GLU 15 H GLU 15 -12.053 0.494 9.290 103 HA GLU 15 HA GLU 15 -11.951 2.601 11.164 104 HB2 GLU 15 HB2 GLU 15 -10.128 0.288 10.566 105 HB3 GLU 15 HB3 GLU 15 -9.742 1.472 11.805 106 HG2 GLU 15 HG2 GLU 15 -11.803 0.927 12.980 107 HG3 GLU 15 HG3 GLU 15 -12.226 -0.231 11.719 108 H ALA 16 H ALA 16 -9.924 1.755 8.398 109 HA ALA 16 HA ALA 16 -8.050 3.835 8.851 110 HB1 ALA 16 HB1 ALA 16 -7.208 3.316 6.625 111 HB2 ALA 16 HB2 ALA 16 -7.491 1.842 7.549 112 HB3 ALA 16 HB3 ALA 16 -8.636 2.334 6.301 113 H LEU 17 H LEU 17 -11.003 3.538 6.971 114 HA LEU 17 HA LEU 17 -10.819 6.009 5.595 115 HB2 LEU 17 HB2 LEU 17 -12.388 3.989 5.212 116 HB3 LEU 17 HB3 LEU 17 -13.403 4.724 6.431 117 HG LEU 17 HG LEU 17 -13.624 6.744 5.055 118 HD11 LEU 17 HD11 LEU 17 -12.801 6.764 2.754 119 HD12 LEU 17 HD12 LEU 17 -11.471 6.642 3.906 120 HD13 LEU 17 HD13 LEU 17 -12.004 5.213 3.020 121 HD21 LEU 17 HD21 LEU 17 -14.982 5.755 3.257 122 HD22 LEU 17 HD22 LEU 17 -14.285 4.176 3.618 123 HD23 LEU 17 HD23 LEU 17 -15.282 4.995 4.819 124 H LYS 18 H LYS 18 -12.194 5.028 8.663 125 HA LYS 18 HA LYS 18 -13.279 7.413 9.589 126 HB2 LYS 18 HB2 LYS 18 -13.299 5.133 10.693 127 HB3 LYS 18 HB3 LYS 18 -11.660 5.453 11.233 128 HG2 LYS 18 HG2 LYS 18 -13.082 5.925 13.051 129 HG3 LYS 18 HG3 LYS 18 -12.562 7.484 12.407 130 HD2 LYS 18 HD2 LYS 18 -15.065 6.325 11.323 131 HD3 LYS 18 HD3 LYS 18 -15.109 6.939 12.974 132 HE2 LYS 18 HE2 LYS 18 -14.101 8.527 10.625 133 HE3 LYS 18 HE3 LYS 18 -15.765 8.585 11.205 134 HZ1 LYS 18 HZ1 LYS 18 -14.991 9.375 13.325 135 HZ2 LYS 18 HZ2 LYS 18 -13.373 9.250 12.839 136 HZ3 LYS 18 HZ3 LYS 18 -14.399 10.384 12.102 137 H ARG 19 H ARG 19 -9.981 6.178 10.014 138 HA ARG 19 HA ARG 19 -8.829 8.447 11.151 139 HB2 ARG 19 HB2 ARG 19 -7.838 6.039 9.756 140 HB3 ARG 19 HB3 ARG 19 -6.750 7.420 9.744 141 HG2 ARG 19 HG2 ARG 19 -6.264 5.959 11.604 142 HG3 ARG 19 HG3 ARG 19 -6.845 7.523 12.168 143 HD2 ARG 19 HD2 ARG 19 -9.068 6.565 12.516 144 HD3 ARG 19 HD3 ARG 19 -8.475 5.002 11.968 145 HE ARG 19 HE ARG 19 -7.037 6.170 14.201 146 HH11 ARG 19 HH11 ARG 19 -9.559 3.978 13.165 147 HH12 ARG 19 HH12 ARG 19 -9.631 3.126 14.681 148 HH21 ARG 19 HH21 ARG 19 -7.124 5.062 16.196 149 HH22 ARG 19 HH22 ARG 19 -8.250 3.751 16.403 150 H ALA 20 H ALA 20 -9.400 7.598 7.793 151 HA ALA 20 HA ALA 20 -7.891 9.593 6.553 152 HB1 ALA 20 HB1 ALA 20 -9.278 9.210 4.591 153 HB2 ALA 20 HB2 ALA 20 -8.831 7.684 5.357 154 HB3 ALA 20 HB3 ALA 20 -10.451 8.342 5.582 155 H GLU 21 H GLU 21 -11.169 9.705 7.883 156 HA GLU 21 HA GLU 21 -11.755 12.295 6.875 157 HB2 GLU 21 HB2 GLU 21 -12.898 10.891 9.296 158 HB3 GLU 21 HB3 GLU 21 -13.547 12.353 8.570 159 HG2 GLU 21 HG2 GLU 21 -13.810 11.007 6.439 160 HG3 GLU 21 HG3 GLU 21 -13.488 9.583 7.429 161 H VAL 22 H VAL 22 -10.237 11.100 9.811 162 HA VAL 22 HA VAL 22 -10.171 13.647 11.111 163 HB VAL 22 HB VAL 22 -8.477 11.209 11.670 164 HG11 VAL 22 HG11 VAL 22 -7.592 13.246 12.680 165 HG12 VAL 22 HG12 VAL 22 -9.160 13.569 13.419 166 HG13 VAL 22 HG13 VAL 22 -8.228 12.152 13.908 167 HG21 VAL 22 HG21 VAL 22 -10.841 10.658 11.773 168 HG22 VAL 22 HG22 VAL 22 -10.147 10.684 13.394 169 HG23 VAL 22 HG23 VAL 22 -11.135 12.034 12.836 170 H GLU 23 H GLU 23 -7.604 11.680 9.577 171 HA GLU 23 HA GLU 23 -5.680 13.792 9.903 172 HB2 GLU 23 HB2 GLU 23 -5.557 11.138 8.474 173 HB3 GLU 23 HB3 GLU 23 -4.210 12.264 8.522 174 HG2 GLU 23 HG2 GLU 23 -4.162 12.105 10.956 175 HG3 GLU 23 HG3 GLU 23 -5.513 10.974 10.908 176 H ASP 24 H ASP 24 -7.803 12.710 7.361 177 HA ASP 24 HA ASP 24 -8.195 13.404 5.233 178 HB2 ASP 24 HB2 ASP 24 -8.448 15.610 6.403 179 HB3 ASP 24 HB3 ASP 24 -6.757 15.945 6.046 180 H LYS 25 H LYS 25 -6.021 11.824 5.739 181 HA LYS 25 HA LYS 25 -3.908 12.801 3.933 182 HB2 LYS 25 HB2 LYS 25 -3.242 12.385 6.290 183 HB3 LYS 25 HB3 LYS 25 -3.781 10.717 6.130 184 HG2 LYS 25 HG2 LYS 25 -2.055 10.351 4.416 185 HG3 LYS 25 HG3 LYS 25 -1.497 12.011 4.653 186 HD2 LYS 25 HD2 LYS 25 -1.604 9.885 6.793 187 HD3 LYS 25 HD3 LYS 25 -0.150 10.378 5.922 188 HE2 LYS 25 HE2 LYS 25 -0.196 12.540 6.883 189 HE3 LYS 25 HE3 LYS 25 -1.839 12.317 7.482 190 HZ1 LYS 25 HZ1 LYS 25 0.026 12.119 9.153 191 HZ2 LYS 25 HZ2 LYS 25 -1.116 10.864 9.139 192 HZ3 LYS 25 HZ3 LYS 25 0.408 10.636 8.422 193 H LEU 26 H LEU 26 -3.058 11.272 2.404 194 HA LEU 26 HA LEU 26 -5.035 9.639 1.205 195 HB2 LEU 26 HB2 LEU 26 -2.062 9.776 0.710 196 HB3 LEU 26 HB3 LEU 26 -3.206 8.931 -0.315 197 HG LEU 26 HG LEU 26 -3.166 11.909 0.187 198 HD11 LEU 26 HD11 LEU 26 -1.289 11.147 -1.177 199 HD12 LEU 26 HD12 LEU 26 -2.408 10.312 -2.255 200 HD13 LEU 26 HD13 LEU 26 -2.446 12.070 -2.134 201 HD21 LEU 26 HD21 LEU 26 -4.886 10.241 -1.644 202 HD22 LEU 26 HD22 LEU 26 -5.424 11.093 -0.197 203 HD23 LEU 26 HD23 LEU 26 -4.848 12.002 -1.593 204 H LEU 27 H LEU 27 -5.154 7.388 0.990 205 HA LEU 27 HA LEU 27 -4.065 6.005 3.326 206 HB2 LEU 27 HB2 LEU 27 -6.295 5.300 1.428 207 HB3 LEU 27 HB3 LEU 27 -5.727 4.222 2.680 208 HG LEU 27 HG LEU 27 -7.684 5.218 3.520 209 HD11 LEU 27 HD11 LEU 27 -6.935 6.502 5.443 210 HD12 LEU 27 HD12 LEU 27 -5.880 5.120 5.144 211 HD13 LEU 27 HD13 LEU 27 -5.362 6.742 4.683 212 HD21 LEU 27 HD21 LEU 27 -7.881 7.042 1.921 213 HD22 LEU 27 HD22 LEU 27 -8.090 7.624 3.572 214 HD23 LEU 27 HD23 LEU 27 -6.571 7.904 2.723 215 H PHE 28 H PHE 28 -2.553 4.504 3.181 216 HA PHE 28 HA PHE 28 -1.915 3.393 0.531 217 HB2 PHE 28 HB2 PHE 28 -0.059 4.697 1.442 218 HB3 PHE 28 HB3 PHE 28 -0.126 3.786 2.945 219 HD1 PHE 28 HD1 PHE 28 0.422 3.352 -0.705 220 HD2 PHE 28 HD2 PHE 28 1.202 1.913 3.223 221 HE1 PHE 28 HE1 PHE 28 2.032 1.738 -1.620 222 HE2 PHE 28 HE2 PHE 28 2.815 0.293 2.312 223 HZ PHE 28 HZ PHE 28 3.232 0.206 -0.113 224 H VAL 29 H VAL 29 -2.982 1.506 0.429 225 HA VAL 29 HA VAL 29 -3.062 -0.170 2.841 226 HB VAL 29 HB VAL 29 -4.726 -0.468 0.342 227 HG11 VAL 29 HG11 VAL 29 -6.118 -1.928 1.717 228 HG12 VAL 29 HG12 VAL 29 -4.465 -2.533 1.605 229 HG13 VAL 29 HG13 VAL 29 -5.007 -1.711 3.070 230 HG21 VAL 29 HG21 VAL 29 -6.567 0.499 1.643 231 HG22 VAL 29 HG22 VAL 29 -5.454 0.808 2.975 232 HG23 VAL 29 HG23 VAL 29 -5.242 1.645 1.437 233 H ASP 30 H ASP 30 -1.480 -1.574 2.932 234 HA ASP 30 HA ASP 30 -0.310 -2.755 0.562 235 HB2 ASP 30 HB2 ASP 30 1.195 -2.232 2.367 236 HB3 ASP 30 HB3 ASP 30 0.216 -3.134 3.519 237 H CYS 31 H CYS 31 -1.225 -4.408 -0.417 238 HA CYS 31 HA CYS 31 -2.703 -6.365 1.214 239 HB2 CYS 31 HB2 CYS 31 -3.074 -5.673 -1.711 240 HB3 CYS 31 HB3 CYS 31 -3.965 -6.914 -0.837 241 HG CYS 31 HG CYS 31 -4.202 -4.021 0.733 242 H PHE 32 H PHE 32 -1.607 -8.150 1.508 243 HA PHE 32 HA PHE 32 0.448 -8.859 -0.464 244 HB2 PHE 32 HB2 PHE 32 1.669 -9.918 1.372 245 HB3 PHE 32 HB3 PHE 32 1.337 -8.229 1.739 246 HD1 PHE 32 HD1 PHE 32 -0.451 -7.657 3.379 247 HD2 PHE 32 HD2 PHE 32 0.833 -11.663 2.728 248 HE1 PHE 32 HE1 PHE 32 -1.480 -8.330 5.506 249 HE2 PHE 32 HE2 PHE 32 -0.195 -12.341 4.858 250 HZ PHE 32 HZ PHE 32 -1.354 -10.673 6.251 251 H THR 33 H THR 33 0.686 -10.949 -1.128 252 HA THR 33 HA THR 33 -1.419 -12.851 -0.384 253 HB THR 33 HB THR 33 0.682 -13.084 -2.563 254 HG1 THR 33 HG1 THR 33 -1.596 -11.624 -2.446 255 HG21 THR 33 HG21 THR 33 -0.777 -14.827 -3.477 256 HG22 THR 33 HG22 THR 33 -0.253 -15.241 -1.845 257 HG23 THR 33 HG23 THR 33 -1.882 -14.626 -2.118 258 H THR 34 H THR 34 -0.805 -14.988 0.326 259 HA THR 34 HA THR 34 1.409 -14.989 2.121 260 HB THR 34 HB THR 34 0.723 -17.451 2.410 261 HG1 THR 34 HG1 THR 34 -1.646 -16.646 1.070 262 HG21 THR 34 HG21 THR 34 0.043 -15.652 3.942 263 HG22 THR 34 HG22 THR 34 -1.334 -15.288 2.897 264 HG23 THR 34 HG23 THR 34 -1.241 -16.841 3.728 265 H TRP 35 H TRP 35 1.778 -14.989 -0.954 266 HA TRP 35 HA TRP 35 3.223 -17.396 -1.522 267 HB2 TRP 35 HB2 TRP 35 2.044 -16.040 -3.252 268 HB3 TRP 35 HB3 TRP 35 3.225 -14.760 -3.004 269 HD1 TRP 35 HD1 TRP 35 5.605 -15.056 -4.120 270 HE1 TRP 35 HE1 TRP 35 6.527 -16.707 -5.872 271 HE3 TRP 35 HE3 TRP 35 1.864 -18.515 -3.987 272 HZ2 TRP 35 HZ2 TRP 35 5.752 -19.162 -7.033 273 HZ3 TRP 35 HZ3 TRP 35 2.021 -20.488 -5.450 274 HH2 TRP 35 HH2 TRP 35 3.927 -20.805 -6.940 275 H CYS 36 H CYS 36 5.307 -17.810 -1.149 276 HA CYS 36 HA CYS 36 6.921 -15.736 0.093 277 HB2 CYS 36 HB2 CYS 36 6.857 -17.949 1.132 278 HB3 CYS 36 HB3 CYS 36 7.468 -18.679 -0.348 279 HG CYS 36 HG CYS 36 9.791 -18.742 0.781 280 H GLY 37 H GLY 37 8.145 -14.469 -1.114 281 HA2 GLY 37 HA2 GLY 37 10.162 -15.133 -2.795 282 HA3 GLY 37 HA3 GLY 37 8.758 -15.156 -3.849 283 HA PRO 38 HA PRO 38 9.320 -10.875 -4.822 284 HB2 PRO 38 HB2 PRO 38 6.346 -10.785 -4.579 285 HB3 PRO 38 HB3 PRO 38 7.385 -10.224 -5.896 286 HG2 PRO 38 HG2 PRO 38 6.014 -12.493 -6.123 287 HG3 PRO 38 HG3 PRO 38 7.664 -12.360 -6.759 288 HD2 PRO 38 HD2 PRO 38 6.681 -13.745 -4.309 289 HD3 PRO 38 HD3 PRO 38 8.008 -14.184 -5.401 290 H CYS 39 H CYS 39 7.221 -11.799 -2.143 291 HA CYS 39 HA CYS 39 6.854 -9.307 -0.946 292 HB2 CYS 39 HB2 CYS 39 6.657 -10.731 1.192 293 HB3 CYS 39 HB3 CYS 39 5.536 -11.066 -0.125 294 HG CYS 39 HG CYS 39 5.992 -13.593 0.116 295 H LYS 40 H LYS 40 9.499 -11.629 -0.624 296 HA LYS 40 HA LYS 40 10.855 -10.173 1.422 297 HB2 LYS 40 HB2 LYS 40 11.134 -12.625 1.000 298 HB3 LYS 40 HB3 LYS 40 11.994 -12.231 -0.481 299 HG2 LYS 40 HG2 LYS 40 13.695 -11.053 0.833 300 HG3 LYS 40 HG3 LYS 40 12.835 -11.485 2.311 301 HD2 LYS 40 HD2 LYS 40 14.066 -13.406 0.333 302 HD3 LYS 40 HD3 LYS 40 14.701 -12.999 1.927 303 HE2 LYS 40 HE2 LYS 40 12.088 -14.384 1.335 304 HE3 LYS 40 HE3 LYS 40 13.543 -15.131 1.990 305 HZ1 LYS 40 HZ1 LYS 40 13.313 -13.601 3.924 306 HZ2 LYS 40 HZ2 LYS 40 11.805 -13.118 3.314 307 HZ3 LYS 40 HZ3 LYS 40 12.057 -14.726 3.774 308 H ARG 41 H ARG 41 11.052 -10.343 -2.080 309 HA ARG 41 HA ARG 41 13.375 -8.832 -2.480 310 HB2 ARG 41 HB2 ARG 41 12.160 -10.145 -4.237 311 HB3 ARG 41 HB3 ARG 41 10.950 -8.900 -4.249 312 HG2 ARG 41 HG2 ARG 41 12.416 -8.623 -6.087 313 HG3 ARG 41 HG3 ARG 41 12.552 -7.268 -4.960 314 HD2 ARG 41 HD2 ARG 41 14.690 -7.977 -5.678 315 HD3 ARG 41 HD3 ARG 41 14.506 -8.303 -3.970 316 HE ARG 41 HE ARG 41 13.786 -10.626 -5.270 317 HH11 ARG 41 HH11 ARG 41 16.662 -8.634 -5.044 318 HH12 ARG 41 HH12 ARG 41 17.760 -9.956 -5.315 319 HH21 ARG 41 HH21 ARG 41 15.224 -12.370 -5.612 320 HH22 ARG 41 HH22 ARG 41 16.941 -12.088 -5.602 321 H LEU 42 H LEU 42 10.014 -7.882 -2.083 322 HA LEU 42 HA LEU 42 10.403 -5.083 -2.451 323 HB2 LEU 42 HB2 LEU 42 8.232 -6.279 -2.681 324 HB3 LEU 42 HB3 LEU 42 8.227 -6.548 -0.950 325 HG LEU 42 HG LEU 42 8.176 -4.090 -0.604 326 HD11 LEU 42 HD11 LEU 42 7.634 -2.647 -2.492 327 HD12 LEU 42 HD12 LEU 42 9.207 -3.416 -2.702 328 HD13 LEU 42 HD13 LEU 42 7.807 -4.014 -3.593 329 HD21 LEU 42 HD21 LEU 42 6.120 -5.431 -0.585 330 HD22 LEU 42 HD22 LEU 42 5.842 -3.804 -1.203 331 HD23 LEU 42 HD23 LEU 42 5.940 -5.166 -2.320 332 H SER 43 H SER 43 9.931 -7.086 0.460 333 HA SER 43 HA SER 43 10.029 -4.988 2.298 334 HB2 SER 43 HB2 SER 43 9.152 -7.301 2.722 335 HB3 SER 43 HB3 SER 43 10.820 -7.860 2.827 336 HG SER 43 HG SER 43 11.125 -6.617 4.642 337 H LYS 44 H LYS 44 12.601 -6.795 0.796 338 HA LYS 44 HA LYS 44 14.637 -6.262 2.665 339 HB2 LYS 44 HB2 LYS 44 14.691 -8.003 0.866 340 HB3 LYS 44 HB3 LYS 44 14.960 -6.718 -0.301 341 HG2 LYS 44 HG2 LYS 44 17.058 -7.736 0.225 342 HG3 LYS 44 HG3 LYS 44 17.032 -6.111 0.913 343 HD2 LYS 44 HD2 LYS 44 16.516 -7.022 3.104 344 HD3 LYS 44 HD3 LYS 44 16.448 -8.653 2.435 345 HE2 LYS 44 HE2 LYS 44 18.856 -6.851 2.620 346 HE3 LYS 44 HE3 LYS 44 18.572 -8.349 3.508 347 HZ1 LYS 44 HZ1 LYS 44 18.496 -9.458 1.261 348 HZ2 LYS 44 HZ2 LYS 44 19.126 -8.016 0.618 349 HZ3 LYS 44 HZ3 LYS 44 20.013 -8.898 1.761 350 H VAL 45 H VAL 45 13.399 -4.364 -0.033 351 HA VAL 45 HA VAL 45 15.575 -2.449 0.389 352 HB VAL 45 HB VAL 45 14.840 -1.543 -1.866 353 HG11 VAL 45 HG11 VAL 45 16.146 -3.229 -3.074 354 HG12 VAL 45 HG12 VAL 45 16.887 -2.805 -1.530 355 HG13 VAL 45 HG13 VAL 45 15.992 -4.316 -1.692 356 HG21 VAL 45 HG21 VAL 45 13.451 -4.215 -1.985 357 HG22 VAL 45 HG22 VAL 45 12.675 -2.631 -2.042 358 HG23 VAL 45 HG23 VAL 45 13.727 -3.146 -3.360 359 H VAL 46 H VAL 46 12.040 -2.528 -0.219 360 HA VAL 46 HA VAL 46 11.892 0.333 -0.096 361 HB VAL 46 HB VAL 46 9.533 0.101 -0.453 362 HG11 VAL 46 HG11 VAL 46 9.518 -1.215 -2.513 363 HG12 VAL 46 HG12 VAL 46 10.963 -0.212 -2.382 364 HG13 VAL 46 HG13 VAL 46 11.057 -1.941 -2.048 365 HG21 VAL 46 HG21 VAL 46 8.405 -2.064 -0.484 366 HG22 VAL 46 HG22 VAL 46 9.884 -2.836 0.085 367 HG23 VAL 46 HG23 VAL 46 9.040 -1.679 1.115 368 H PHE 47 H PHE 47 11.479 -2.233 2.207 369 HA PHE 47 HA PHE 47 10.383 -0.332 4.156 370 HB2 PHE 47 HB2 PHE 47 10.652 -3.342 4.347 371 HB3 PHE 47 HB3 PHE 47 9.899 -2.302 5.552 372 HD1 PHE 47 HD1 PHE 47 8.370 -0.468 3.795 373 HD2 PHE 47 HD2 PHE 47 8.901 -4.685 3.622 374 HE1 PHE 47 HE1 PHE 47 6.224 -0.687 2.614 375 HE2 PHE 47 HE2 PHE 47 6.762 -4.911 2.432 376 HZ PHE 47 HZ PHE 47 5.418 -2.909 1.932 377 H LYS 48 H LYS 48 13.206 -0.672 3.094 378 HA LYS 48 HA LYS 48 14.518 -0.803 5.724 379 HB2 LYS 48 HB2 LYS 48 15.093 -2.719 4.228 380 HB3 LYS 48 HB3 LYS 48 15.731 -1.571 3.062 381 HG2 LYS 48 HG2 LYS 48 17.525 -2.563 4.331 382 HG3 LYS 48 HG3 LYS 48 17.397 -0.844 4.707 383 HD2 LYS 48 HD2 LYS 48 16.217 -1.351 6.763 384 HD3 LYS 48 HD3 LYS 48 16.233 -3.072 6.377 385 HE2 LYS 48 HE2 LYS 48 17.960 -2.546 7.998 386 HE3 LYS 48 HE3 LYS 48 18.681 -3.063 6.476 387 HZ1 LYS 48 HZ1 LYS 48 19.820 -1.144 7.416 388 HZ2 LYS 48 HZ2 LYS 48 19.111 -0.750 5.925 389 HZ3 LYS 48 HZ3 LYS 48 18.385 -0.244 7.368 390 H ASP 49 H ASP 49 14.313 0.729 2.573 391 HA ASP 49 HA ASP 49 16.397 2.621 3.033 392 HB2 ASP 49 HB2 ASP 49 15.687 1.972 0.770 393 HB3 ASP 49 HB3 ASP 49 14.112 2.709 1.054 394 H SER 50 H SER 50 16.349 4.384 4.219 395 HA SER 50 HA SER 50 14.053 5.058 5.740 396 HB2 SER 50 HB2 SER 50 16.695 6.507 5.452 397 HB3 SER 50 HB3 SER 50 15.492 6.804 6.710 398 HG SER 50 HG SER 50 15.779 4.349 6.996 399 H LEU 51 H LEU 51 15.332 6.233 2.740 400 HA LEU 51 HA LEU 51 14.118 8.806 2.801 401 HB2 LEU 51 HB2 LEU 51 14.996 7.138 0.443 402 HB3 LEU 51 HB3 LEU 51 14.636 8.851 0.410 403 HG LEU 51 HG LEU 51 16.890 7.586 1.962 404 HD11 LEU 51 HD11 LEU 51 18.326 8.669 0.283 405 HD12 LEU 51 HD12 LEU 51 17.285 7.426 -0.409 406 HD13 LEU 51 HD13 LEU 51 16.883 9.129 -0.622 407 HD21 LEU 51 HD21 LEU 51 16.043 9.626 3.007 408 HD22 LEU 51 HD22 LEU 51 17.645 9.883 2.314 409 HD23 LEU 51 HD23 LEU 51 16.213 10.487 1.478 410 H VAL 52 H VAL 52 13.300 5.770 1.135 411 HA VAL 52 HA VAL 52 10.780 6.597 0.178 412 HB VAL 52 HB VAL 52 11.740 3.804 0.863 413 HG11 VAL 52 HG11 VAL 52 9.303 3.890 0.728 414 HG12 VAL 52 HG12 VAL 52 9.412 4.676 -0.847 415 HG13 VAL 52 HG13 VAL 52 9.982 3.019 -0.646 416 HG21 VAL 52 HG21 VAL 52 12.199 3.611 -1.525 417 HG22 VAL 52 HG22 VAL 52 11.688 5.281 -1.765 418 HG23 VAL 52 HG23 VAL 52 13.124 4.929 -0.806 419 H ALA 53 H ALA 53 11.779 5.008 3.173 420 HA ALA 53 HA ALA 53 9.269 4.462 4.257 421 HB1 ALA 53 HB1 ALA 53 11.350 3.567 5.158 422 HB2 ALA 53 HB2 ALA 53 11.809 5.177 5.710 423 HB3 ALA 53 HB3 ALA 53 10.407 4.371 6.412 424 H ASP 54 H ASP 54 11.330 7.335 4.753 425 HA ASP 54 HA ASP 54 9.642 8.684 6.524 426 HB2 ASP 54 HB2 ASP 54 11.935 9.398 6.182 427 HB3 ASP 54 HB3 ASP 54 11.595 9.802 4.502 428 H TYR 55 H TYR 55 9.757 8.725 3.003 429 HA TYR 55 HA TYR 55 7.951 10.802 2.531 430 HB2 TYR 55 HB2 TYR 55 9.430 9.815 0.825 431 HB3 TYR 55 HB3 TYR 55 8.476 8.339 0.857 432 HD1 TYR 55 HD1 TYR 55 8.058 12.011 0.279 433 HD2 TYR 55 HD2 TYR 55 6.822 8.067 -0.737 434 HE1 TYR 55 HE1 TYR 55 6.628 12.923 -1.501 435 HE2 TYR 55 HE2 TYR 55 5.385 8.971 -2.517 436 HH TYR 55 HH TYR 55 4.360 10.923 -3.256 437 H PHE 56 H PHE 56 7.370 7.297 2.775 438 HA PHE 56 HA PHE 56 4.563 7.570 2.335 439 HB2 PHE 56 HB2 PHE 56 6.340 5.287 3.121 440 HB3 PHE 56 HB3 PHE 56 4.590 5.121 3.169 441 HD1 PHE 56 HD1 PHE 56 7.477 5.745 0.958 442 HD2 PHE 56 HD2 PHE 56 3.317 4.875 1.187 443 HE1 PHE 56 HE1 PHE 56 7.449 5.250 -1.453 444 HE2 PHE 56 HE2 PHE 56 3.282 4.384 -1.223 445 HZ PHE 56 HZ PHE 56 5.349 4.572 -2.547 446 H ASN 57 H ASN 57 6.577 7.094 5.220 447 HA ASN 57 HA ASN 57 4.528 6.671 7.070 448 HB2 ASN 57 HB2 ASN 57 7.267 7.900 7.362 449 HB3 ASN 57 HB3 ASN 57 6.188 7.687 8.731 450 HD21 ASN 57 HD21 ASN 57 8.792 6.515 8.227 451 HD22 ASN 57 HD22 ASN 57 8.571 4.802 8.264 452 H ARG 58 H ARG 58 5.654 9.615 5.578 453 HA ARG 58 HA ARG 58 4.191 11.283 7.451 454 HB2 ARG 58 HB2 ARG 58 6.298 12.154 6.781 455 HB3 ARG 58 HB3 ARG 58 5.942 11.893 5.079 456 HG2 ARG 58 HG2 ARG 58 4.317 13.660 5.089 457 HG3 ARG 58 HG3 ARG 58 4.480 13.854 6.835 458 HD2 ARG 58 HD2 ARG 58 6.798 14.202 4.949 459 HD3 ARG 58 HD3 ARG 58 5.711 15.527 5.361 460 HE ARG 58 HE ARG 58 6.407 15.262 7.675 461 HH11 ARG 58 HH11 ARG 58 8.386 13.682 5.262 462 HH12 ARG 58 HH12 ARG 58 9.821 13.715 6.237 463 HH21 ARG 58 HH21 ARG 58 8.284 15.352 8.943 464 HH22 ARG 58 HH22 ARG 58 9.775 14.685 8.334 465 H HIS 59 H HIS 59 4.024 10.532 3.957 466 HA HIS 59 HA HIS 59 1.764 12.357 3.728 467 HB2 HIS 59 HB2 HIS 59 3.412 10.892 1.683 468 HB3 HIS 59 HB3 HIS 59 1.953 11.776 1.255 469 HD1 HIS 59 HD1 HIS 59 2.025 14.395 1.558 470 HD2 HIS 59 HD2 HIS 59 5.657 12.432 2.108 471 HE1 HIS 59 HE1 HIS 59 3.792 16.187 1.468 472 HE2 HIS 59 HE2 HIS 59 5.989 14.968 1.705 473 H PHE 60 H PHE 60 2.114 9.056 4.294 474 HA PHE 60 HA PHE 60 -0.593 8.598 3.243 475 HB2 PHE 60 HB2 PHE 60 1.762 6.720 3.015 476 HB3 PHE 60 HB3 PHE 60 0.102 6.277 2.649 477 HD1 PHE 60 HD1 PHE 60 -1.041 7.251 0.710 478 HD2 PHE 60 HD2 PHE 60 3.068 8.018 1.499 479 HE1 PHE 60 HE1 PHE 60 -0.745 8.037 -1.603 480 HE2 PHE 60 HE2 PHE 60 3.371 8.809 -0.810 481 HZ PHE 60 HZ PHE 60 1.463 8.818 -2.365 482 H VAL 61 H VAL 61 -1.933 7.337 4.462 483 HA VAL 61 HA VAL 61 -1.005 6.533 7.106 484 HB VAL 61 HB VAL 61 -3.727 6.118 5.837 485 HG11 VAL 61 HG11 VAL 61 -4.495 5.727 8.130 486 HG12 VAL 61 HG12 VAL 61 -3.261 4.558 7.659 487 HG13 VAL 61 HG13 VAL 61 -2.842 5.906 8.716 488 HG21 VAL 61 HG21 VAL 61 -2.817 8.265 7.748 489 HG22 VAL 61 HG22 VAL 61 -3.201 8.494 6.043 490 HG23 VAL 61 HG23 VAL 61 -4.466 8.021 7.177 491 H ASN 62 H ASN 62 0.083 4.686 7.238 492 HA ASN 62 HA ASN 62 -0.073 2.798 5.062 493 HB2 ASN 62 HB2 ASN 62 1.688 2.787 7.518 494 HB3 ASN 62 HB3 ASN 62 1.843 1.702 6.139 495 HD21 ASN 62 HD21 ASN 62 2.493 4.839 7.384 496 HD22 ASN 62 HD22 ASN 62 3.356 5.439 6.014 497 H LEU 63 H LEU 63 -1.577 1.359 5.038 498 HA LEU 63 HA LEU 63 -2.350 0.021 7.550 499 HB2 LEU 63 HB2 LEU 63 -4.157 1.383 6.645 500 HB3 LEU 63 HB3 LEU 63 -3.982 0.615 5.079 501 HG LEU 63 HG LEU 63 -4.641 -1.552 6.150 502 HD11 LEU 63 HD11 LEU 63 -5.303 0.246 8.470 503 HD12 LEU 63 HD12 LEU 63 -5.748 -1.455 8.319 504 HD13 LEU 63 HD13 LEU 63 -4.049 -0.994 8.431 505 HD21 LEU 63 HD21 LEU 63 -7.022 -1.005 6.253 506 HD22 LEU 63 HD22 LEU 63 -6.622 0.712 6.322 507 HD23 LEU 63 HD23 LEU 63 -6.238 -0.224 4.880 508 H LYS 64 H LYS 64 -2.423 -2.234 7.525 509 HA LYS 64 HA LYS 64 -1.718 -3.471 4.938 510 HB2 LYS 64 HB2 LYS 64 0.066 -3.682 6.650 511 HB3 LYS 64 HB3 LYS 64 -1.065 -4.541 7.688 512 HG2 LYS 64 HG2 LYS 64 -1.196 -6.365 6.181 513 HG3 LYS 64 HG3 LYS 64 -0.328 -5.473 4.931 514 HD2 LYS 64 HD2 LYS 64 0.804 -6.363 7.583 515 HD3 LYS 64 HD3 LYS 64 1.117 -7.116 6.018 516 HE2 LYS 64 HE2 LYS 64 1.937 -4.800 5.288 517 HE3 LYS 64 HE3 LYS 64 1.975 -4.418 7.008 518 HZ1 LYS 64 HZ1 LYS 64 4.119 -5.179 6.217 519 HZ2 LYS 64 HZ2 LYS 64 3.488 -6.275 7.347 520 HZ3 LYS 64 HZ3 LYS 64 3.441 -6.634 5.687 521 H MET 65 H MET 65 -3.014 -5.047 4.153 522 HA MET 65 HA MET 65 -5.225 -5.953 5.873 523 HB2 MET 65 HB2 MET 65 -6.035 -4.140 4.443 524 HB3 MET 65 HB3 MET 65 -5.447 -4.980 3.017 525 HG2 MET 65 HG2 MET 65 -7.833 -5.242 3.226 526 HG3 MET 65 HG3 MET 65 -7.027 -6.796 3.440 527 HE1 MET 65 HE1 MET 65 -10.076 -6.284 4.265 528 HE2 MET 65 HE2 MET 65 -9.228 -7.820 4.439 529 HE3 MET 65 HE3 MET 65 -10.110 -7.142 5.807 530 H ASP 66 H ASP 66 -5.721 -8.043 5.746 531 HA ASP 66 HA ASP 66 -4.085 -9.884 4.331 532 HB2 ASP 66 HB2 ASP 66 -5.637 -10.195 6.482 533 HB3 ASP 66 HB3 ASP 66 -6.771 -10.697 5.226 534 H MET 67 H MET 67 -4.845 -11.475 2.836 535 HA MET 67 HA MET 67 -6.580 -10.305 0.796 536 HB2 MET 67 HB2 MET 67 -4.216 -11.088 0.434 537 HB3 MET 67 HB3 MET 67 -4.812 -12.725 0.607 538 HG2 MET 67 HG2 MET 67 -4.631 -12.159 -1.733 539 HG3 MET 67 HG3 MET 67 -6.318 -12.396 -1.285 540 HE1 MET 67 HE1 MET 67 -4.358 -8.291 -2.006 541 HE2 MET 67 HE2 MET 67 -4.014 -9.268 -0.581 542 HE3 MET 67 HE3 MET 67 -3.522 -9.836 -2.176 543 H GLU 68 H GLU 68 -6.520 -12.741 3.177 544 HA GLU 68 HA GLU 68 -8.764 -14.161 1.897 545 HB2 GLU 68 HB2 GLU 68 -6.673 -15.137 3.848 546 HB3 GLU 68 HB3 GLU 68 -8.111 -16.056 3.429 547 HG2 GLU 68 HG2 GLU 68 -6.048 -15.157 1.432 548 HG3 GLU 68 HG3 GLU 68 -6.047 -16.735 2.220 549 H LYS 69 H LYS 69 -7.421 -13.163 5.025 550 HA LYS 69 HA LYS 69 -9.827 -13.786 6.443 551 HB2 LYS 69 HB2 LYS 69 -7.439 -12.152 7.323 552 HB3 LYS 69 HB3 LYS 69 -8.691 -12.803 8.375 553 HG2 LYS 69 HG2 LYS 69 -8.037 -15.080 7.702 554 HG3 LYS 69 HG3 LYS 69 -6.739 -14.392 6.725 555 HD2 LYS 69 HD2 LYS 69 -5.776 -13.387 8.755 556 HD3 LYS 69 HD3 LYS 69 -7.055 -14.135 9.716 557 HE2 LYS 69 HE2 LYS 69 -6.293 -16.352 8.914 558 HE3 LYS 69 HE3 LYS 69 -4.964 -15.557 8.073 559 HZ1 LYS 69 HZ1 LYS 69 -4.134 -14.759 10.195 560 HZ2 LYS 69 HZ2 LYS 69 -5.428 -15.496 11.005 561 HZ3 LYS 69 HZ3 LYS 69 -4.277 -16.447 10.213 562 H GLY 70 H GLY 70 -11.512 -12.556 6.902 563 HA2 GLY 70 HA2 GLY 70 -12.746 -10.602 7.255 564 HA3 GLY 70 HA3 GLY 70 -11.367 -9.657 6.703 565 H GLU 71 H GLU 71 -12.626 -8.392 5.315 566 HA GLU 71 HA GLU 71 -14.009 -9.728 3.136 567 HB2 GLU 71 HB2 GLU 71 -14.560 -7.405 2.400 568 HB3 GLU 71 HB3 GLU 71 -15.117 -7.794 4.020 569 HG2 GLU 71 HG2 GLU 71 -12.474 -6.474 3.729 570 HG3 GLU 71 HG3 GLU 71 -13.926 -5.511 3.458 571 H GLY 72 H GLY 72 -10.974 -9.698 3.555 572 HA2 GLY 72 HA2 GLY 72 -9.713 -8.157 1.591 573 HA3 GLY 72 HA3 GLY 72 -9.110 -9.689 2.210 574 H VAL 73 H VAL 73 -11.295 -11.285 1.356 575 HA VAL 73 HA VAL 73 -10.500 -11.896 -1.276 576 HB VAL 73 HB VAL 73 -12.388 -13.487 -1.296 577 HG11 VAL 73 HG11 VAL 73 -10.834 -13.459 1.293 578 HG12 VAL 73 HG12 VAL 73 -11.638 -14.862 0.588 579 HG13 VAL 73 HG13 VAL 73 -10.272 -14.117 -0.244 580 HG21 VAL 73 HG21 VAL 73 -14.026 -12.124 -0.086 581 HG22 VAL 73 HG22 VAL 73 -13.832 -13.707 0.665 582 HG23 VAL 73 HG23 VAL 73 -13.075 -12.288 1.390 583 H GLU 74 H GLU 74 -12.927 -9.775 -0.007 584 HA GLU 74 HA GLU 74 -14.470 -9.603 -2.414 585 HB2 GLU 74 HB2 GLU 74 -15.510 -9.108 -0.263 586 HB3 GLU 74 HB3 GLU 74 -14.372 -7.797 0.010 587 HG2 GLU 74 HG2 GLU 74 -15.317 -6.506 -1.752 588 HG3 GLU 74 HG3 GLU 74 -16.311 -7.863 -2.282 589 H LEU 75 H LEU 75 -12.074 -7.504 -0.808 590 HA LEU 75 HA LEU 75 -11.914 -5.563 -2.817 591 HB2 LEU 75 HB2 LEU 75 -9.940 -6.499 -0.753 592 HB3 LEU 75 HB3 LEU 75 -9.521 -5.256 -1.913 593 HG LEU 75 HG LEU 75 -11.550 -3.978 -1.061 594 HD11 LEU 75 HD11 LEU 75 -11.301 -5.952 1.195 595 HD12 LEU 75 HD12 LEU 75 -12.273 -4.481 1.212 596 HD13 LEU 75 HD13 LEU 75 -12.671 -5.787 0.096 597 HD21 LEU 75 HD21 LEU 75 -10.306 -3.086 0.854 598 HD22 LEU 75 HD22 LEU 75 -9.223 -4.477 0.782 599 HD23 LEU 75 HD23 LEU 75 -9.273 -3.328 -0.555 600 H ARG 76 H ARG 76 -10.226 -8.637 -2.430 601 HA ARG 76 HA ARG 76 -8.407 -8.400 -4.531 602 HB2 ARG 76 HB2 ARG 76 -8.314 -10.211 -2.895 603 HB3 ARG 76 HB3 ARG 76 -9.813 -10.878 -3.525 604 HG2 ARG 76 HG2 ARG 76 -8.746 -11.342 -5.651 605 HG3 ARG 76 HG3 ARG 76 -7.246 -10.613 -5.077 606 HD2 ARG 76 HD2 ARG 76 -7.123 -13.028 -4.944 607 HD3 ARG 76 HD3 ARG 76 -7.092 -12.317 -3.333 608 HE ARG 76 HE ARG 76 -9.695 -13.177 -4.290 609 HH11 ARG 76 HH11 ARG 76 -6.834 -13.927 -2.445 610 HH12 ARG 76 HH12 ARG 76 -7.602 -15.163 -1.485 611 HH21 ARG 76 HH21 ARG 76 -10.724 -14.837 -3.049 612 HH22 ARG 76 HH22 ARG 76 -9.802 -15.697 -1.855 613 H LYS 77 H LYS 77 -11.748 -9.545 -4.520 614 HA LYS 77 HA LYS 77 -11.767 -10.190 -7.308 615 HB2 LYS 77 HB2 LYS 77 -13.252 -11.280 -5.658 616 HB3 LYS 77 HB3 LYS 77 -14.065 -9.745 -5.393 617 HG2 LYS 77 HG2 LYS 77 -14.761 -9.743 -7.759 618 HG3 LYS 77 HG3 LYS 77 -14.018 -11.332 -7.949 619 HD2 LYS 77 HD2 LYS 77 -16.142 -10.782 -5.892 620 HD3 LYS 77 HD3 LYS 77 -16.534 -11.258 -7.541 621 HE2 LYS 77 HE2 LYS 77 -16.570 -13.240 -6.269 622 HE3 LYS 77 HE3 LYS 77 -15.058 -13.278 -7.170 623 HZ1 LYS 77 HZ1 LYS 77 -13.852 -12.676 -5.227 624 HZ2 LYS 77 HZ2 LYS 77 -15.272 -12.363 -4.353 625 HZ3 LYS 77 HZ3 LYS 77 -14.884 -13.949 -4.800 626 H LYS 78 H LYS 78 -12.412 -7.396 -5.367 627 HA LYS 78 HA LYS 78 -14.001 -6.002 -7.291 628 HB2 LYS 78 HB2 LYS 78 -14.232 -5.569 -4.905 629 HB3 LYS 78 HB3 LYS 78 -12.560 -5.035 -4.817 630 HG2 LYS 78 HG2 LYS 78 -13.105 -3.149 -6.297 631 HG3 LYS 78 HG3 LYS 78 -14.791 -3.674 -6.311 632 HD2 LYS 78 HD2 LYS 78 -14.917 -3.372 -3.891 633 HD3 LYS 78 HD3 LYS 78 -13.222 -2.883 -3.855 634 HE2 LYS 78 HE2 LYS 78 -13.759 -0.969 -5.291 635 HE3 LYS 78 HE3 LYS 78 -15.455 -1.449 -5.284 636 HZ1 LYS 78 HZ1 LYS 78 -15.550 -1.076 -2.921 637 HZ2 LYS 78 HZ2 LYS 78 -13.896 -0.713 -2.870 638 HZ3 LYS 78 HZ3 LYS 78 -14.960 0.321 -3.684 639 H TYR 79 H TYR 79 -10.610 -5.841 -6.284 640 HA TYR 79 HA TYR 79 -10.102 -3.737 -8.252 641 HB2 TYR 79 HB2 TYR 79 -8.391 -4.883 -6.037 642 HB3 TYR 79 HB3 TYR 79 -7.845 -3.640 -7.158 643 HD1 TYR 79 HD1 TYR 79 -10.201 -4.380 -4.416 644 HD2 TYR 79 HD2 TYR 79 -8.522 -1.366 -6.900 645 HE1 TYR 79 HE1 TYR 79 -11.164 -2.654 -2.956 646 HE2 TYR 79 HE2 TYR 79 -9.476 0.369 -5.446 647 HH TYR 79 HH TYR 79 -11.235 0.665 -3.840 648 H GLY 80 H GLY 80 -10.176 -7.012 -8.283 649 HA2 GLY 80 HA2 GLY 80 -9.417 -8.548 -9.817 650 HA3 GLY 80 HA3 GLY 80 -8.807 -7.197 -10.758 651 H VAL 81 H VAL 81 -8.064 -8.771 -7.671 652 HA VAL 81 HA VAL 81 -5.227 -8.261 -8.107 653 HB VAL 81 HB VAL 81 -6.680 -9.348 -5.688 654 HG11 VAL 81 HG11 VAL 81 -3.791 -8.545 -6.017 655 HG12 VAL 81 HG12 VAL 81 -4.566 -8.984 -4.495 656 HG13 VAL 81 HG13 VAL 81 -4.401 -10.184 -5.778 657 HG21 VAL 81 HG21 VAL 81 -6.174 -7.142 -4.703 658 HG22 VAL 81 HG22 VAL 81 -5.510 -6.625 -6.252 659 HG23 VAL 81 HG23 VAL 81 -7.223 -7.021 -6.116 660 H HIS 82 H HIS 82 -4.146 -9.735 -9.236 661 HA HIS 82 HA HIS 82 -4.602 -12.569 -8.566 662 HB2 HIS 82 HB2 HIS 82 -3.912 -11.285 -11.196 663 HB3 HIS 82 HB3 HIS 82 -3.506 -12.969 -10.881 664 HD1 HIS 82 HD1 HIS 82 -5.547 -12.012 -13.062 665 HD2 HIS 82 HD2 HIS 82 -6.526 -13.430 -9.277 666 HE1 HIS 82 HE1 HIS 82 -7.900 -12.879 -13.245 667 HE2 HIS 82 HE2 HIS 82 -8.378 -13.938 -11.013 668 H ALA 83 H ALA 83 -2.381 -9.960 -8.747 669 HA ALA 83 HA ALA 83 -0.029 -11.656 -8.692 670 HB1 ALA 83 HB1 ALA 83 0.034 -9.528 -9.910 671 HB2 ALA 83 HB2 ALA 83 -0.254 -8.662 -8.399 672 HB3 ALA 83 HB3 ALA 83 1.238 -9.578 -8.620 673 H TYR 84 H TYR 84 1.665 -10.764 -6.929 674 HA TYR 84 HA TYR 84 0.396 -11.650 -4.466 675 HB2 TYR 84 HB2 TYR 84 3.348 -11.356 -5.016 676 HB3 TYR 84 HB3 TYR 84 2.587 -12.271 -3.717 677 HD1 TYR 84 HD1 TYR 84 0.669 -13.970 -4.777 678 HD2 TYR 84 HD2 TYR 84 4.252 -12.684 -6.676 679 HE1 TYR 84 HE1 TYR 84 0.609 -15.958 -6.221 680 HE2 TYR 84 HE2 TYR 84 4.197 -14.664 -8.132 681 HH TYR 84 HH TYR 84 3.238 -16.947 -8.102 682 HA PRO 85 HA PRO 85 2.146 -7.613 -2.861 683 HB2 PRO 85 HB2 PRO 85 3.933 -6.153 -4.337 684 HB3 PRO 85 HB3 PRO 85 4.395 -7.458 -3.243 685 HG2 PRO 85 HG2 PRO 85 4.530 -7.380 -6.133 686 HG3 PRO 85 HG3 PRO 85 5.154 -8.615 -5.030 687 HD2 PRO 85 HD2 PRO 85 2.679 -8.602 -6.603 688 HD3 PRO 85 HD3 PRO 85 3.503 -9.961 -5.812 689 H THR 86 H THR 86 0.200 -6.524 -3.007 690 HA THR 86 HA THR 86 -0.204 -4.886 -5.428 691 HB THR 86 HB THR 86 -2.444 -5.882 -3.669 692 HG1 THR 86 HG1 THR 86 -1.967 -7.792 -4.497 693 HG21 THR 86 HG21 THR 86 -3.788 -5.437 -5.697 694 HG22 THR 86 HG22 THR 86 -2.987 -3.987 -5.099 695 HG23 THR 86 HG23 THR 86 -2.341 -4.833 -6.504 696 H LEU 87 H LEU 87 -0.156 -2.778 -5.106 697 HA LEU 87 HA LEU 87 -0.409 -1.764 -2.361 698 HB2 LEU 87 HB2 LEU 87 0.923 -0.584 -4.800 699 HB3 LEU 87 HB3 LEU 87 0.719 0.281 -3.292 700 HG LEU 87 HG LEU 87 2.076 -1.556 -2.185 701 HD11 LEU 87 HD11 LEU 87 3.574 -2.846 -3.636 702 HD12 LEU 87 HD12 LEU 87 1.882 -3.275 -3.881 703 HD13 LEU 87 HD13 LEU 87 2.708 -2.246 -5.052 704 HD21 LEU 87 HD21 LEU 87 4.196 -0.599 -2.876 705 HD22 LEU 87 HD22 LEU 87 3.437 0.094 -4.309 706 HD23 LEU 87 HD23 LEU 87 2.973 0.660 -2.705 707 H LEU 88 H LEU 88 -2.221 -0.731 -1.852 708 HA LEU 88 HA LEU 88 -3.911 0.247 -4.056 709 HB2 LEU 88 HB2 LEU 88 -4.587 -1.488 -2.113 710 HB3 LEU 88 HB3 LEU 88 -4.983 0.014 -1.304 711 HG LEU 88 HG LEU 88 -6.121 -0.836 -3.970 712 HD11 LEU 88 HD11 LEU 88 -7.351 -0.903 -1.218 713 HD12 LEU 88 HD12 LEU 88 -8.181 -1.265 -2.732 714 HD13 LEU 88 HD13 LEU 88 -6.870 -2.304 -2.175 715 HD21 LEU 88 HD21 LEU 88 -6.058 1.596 -3.663 716 HD22 LEU 88 HD22 LEU 88 -7.709 0.978 -3.622 717 HD23 LEU 88 HD23 LEU 88 -6.896 1.422 -2.121 718 H PHE 89 H PHE 89 -3.995 2.365 -4.347 719 HA PHE 89 HA PHE 89 -3.510 4.133 -2.043 720 HB2 PHE 89 HB2 PHE 89 -3.170 4.651 -5.006 721 HB3 PHE 89 HB3 PHE 89 -2.967 5.869 -3.754 722 HD1 PHE 89 HD1 PHE 89 -1.546 2.875 -5.300 723 HD2 PHE 89 HD2 PHE 89 -1.029 5.877 -2.329 724 HE1 PHE 89 HE1 PHE 89 0.815 2.228 -5.065 725 HE2 PHE 89 HE2 PHE 89 1.335 5.239 -2.089 726 HZ PHE 89 HZ PHE 89 2.261 3.410 -3.460 727 H ILE 90 H ILE 90 -5.299 5.071 -1.256 728 HA ILE 90 HA ILE 90 -7.436 5.749 -3.149 729 HB ILE 90 HB ILE 90 -7.920 3.563 -1.985 730 HG12 ILE 90 HG12 ILE 90 -9.861 5.820 -1.453 731 HG13 ILE 90 HG13 ILE 90 -9.680 4.969 -2.983 732 HG21 ILE 90 HG21 ILE 90 -7.011 4.044 0.193 733 HG22 ILE 90 HG22 ILE 90 -8.191 5.334 0.430 734 HG23 ILE 90 HG23 ILE 90 -8.727 3.657 0.327 735 HD11 ILE 90 HD11 ILE 90 -10.411 2.901 -1.929 736 HD12 ILE 90 HD12 ILE 90 -10.572 3.736 -0.386 737 HD13 ILE 90 HD13 ILE 90 -11.613 4.176 -1.739 738 H ASN 91 H ASN 91 -8.863 7.424 -2.405 739 HA ASN 91 HA ASN 91 -7.512 9.206 -0.503 740 HB2 ASN 91 HB2 ASN 91 -8.524 11.054 -1.635 741 HB3 ASN 91 HB3 ASN 91 -7.818 10.008 -2.856 742 HD21 ASN 91 HD21 ASN 91 -9.868 11.995 -3.142 743 HD22 ASN 91 HD22 ASN 91 -11.248 11.182 -3.804 744 H SER 92 H SER 92 -9.244 10.877 0.414 745 HA SER 92 HA SER 92 -10.749 9.436 2.299 746 HB2 SER 92 HB2 SER 92 -9.882 11.676 2.744 747 HB3 SER 92 HB3 SER 92 -10.930 12.352 1.500 748 HG SER 92 HG SER 92 -12.004 10.890 3.670 749 H SER 93 H SER 93 -11.605 10.699 -0.837 750 HA SER 93 HA SER 93 -14.415 10.672 -0.476 751 HB2 SER 93 HB2 SER 93 -13.219 11.938 -2.269 752 HB3 SER 93 HB3 SER 93 -12.881 10.404 -3.067 753 HG SER 93 HG SER 93 -15.388 11.651 -2.619 754 H GLY 94 H GLY 94 -12.076 8.221 -1.047 755 HA2 GLY 94 HA2 GLY 94 -12.431 5.920 -0.885 756 HA3 GLY 94 HA3 GLY 94 -14.161 6.201 -1.017 757 H GLU 95 H GLU 95 -12.036 7.704 -3.297 758 HA GLU 95 HA GLU 95 -12.992 5.806 -5.333 759 HB2 GLU 95 HB2 GLU 95 -12.126 8.684 -5.683 760 HB3 GLU 95 HB3 GLU 95 -12.659 7.614 -6.973 761 HG2 GLU 95 HG2 GLU 95 -14.845 7.401 -5.766 762 HG3 GLU 95 HG3 GLU 95 -14.288 8.675 -4.680 763 H VAL 96 H VAL 96 -11.541 5.117 -6.944 764 HA VAL 96 HA VAL 96 -8.798 4.987 -5.952 765 HB VAL 96 HB VAL 96 -10.040 3.374 -8.181 766 HG11 VAL 96 HG11 VAL 96 -7.622 3.408 -8.226 767 HG12 VAL 96 HG12 VAL 96 -7.560 2.960 -6.522 768 HG13 VAL 96 HG13 VAL 96 -8.193 1.820 -7.710 769 HG21 VAL 96 HG21 VAL 96 -10.364 1.587 -6.557 770 HG22 VAL 96 HG22 VAL 96 -9.774 2.637 -5.268 771 HG23 VAL 96 HG23 VAL 96 -11.281 3.023 -6.100 772 H VAL 97 H VAL 97 -7.577 6.608 -6.712 773 HA VAL 97 HA VAL 97 -7.957 7.813 -9.265 774 HB VAL 97 HB VAL 97 -5.482 7.945 -7.535 775 HG11 VAL 97 HG11 VAL 97 -5.119 8.775 -9.775 776 HG12 VAL 97 HG12 VAL 97 -6.552 9.798 -9.661 777 HG13 VAL 97 HG13 VAL 97 -5.153 10.123 -8.639 778 HG21 VAL 97 HG21 VAL 97 -6.452 9.997 -6.582 779 HG22 VAL 97 HG22 VAL 97 -7.953 9.677 -7.450 780 HG23 VAL 97 HG23 VAL 97 -7.404 8.565 -6.195 781 H TYR 98 H TYR 98 -5.494 5.618 -7.916 782 HA TYR 98 HA TYR 98 -5.245 4.327 -10.494 783 HB2 TYR 98 HB2 TYR 98 -2.824 4.588 -10.657 784 HB3 TYR 98 HB3 TYR 98 -3.609 6.159 -10.682 785 HD1 TYR 98 HD1 TYR 98 -3.568 7.556 -8.563 786 HD2 TYR 98 HD2 TYR 98 -1.191 4.064 -9.062 787 HE1 TYR 98 HE1 TYR 98 -2.104 8.295 -6.732 788 HE2 TYR 98 HE2 TYR 98 0.281 4.795 -7.234 789 HH TYR 98 HH TYR 98 -0.540 7.327 -5.122 790 H ARG 99 H ARG 99 -4.821 2.239 -10.323 791 HA ARG 99 HA ARG 99 -4.234 1.125 -7.675 792 HB2 ARG 99 HB2 ARG 99 -5.322 -0.038 -10.233 793 HB3 ARG 99 HB3 ARG 99 -4.708 -1.074 -8.951 794 HG2 ARG 99 HG2 ARG 99 -6.478 -0.705 -7.617 795 HG3 ARG 99 HG3 ARG 99 -6.655 0.975 -8.128 796 HD2 ARG 99 HD2 ARG 99 -7.380 -1.385 -9.851 797 HD3 ARG 99 HD3 ARG 99 -8.529 -0.552 -8.803 798 HE ARG 99 HE ARG 99 -7.093 1.156 -10.652 799 HH11 ARG 99 HH11 ARG 99 -9.944 -0.840 -10.189 800 HH12 ARG 99 HH12 ARG 99 -10.906 0.069 -11.308 801 HH21 ARG 99 HH21 ARG 99 -8.384 2.361 -12.106 802 HH22 ARG 99 HH22 ARG 99 -10.031 1.874 -12.401 803 H LEU 100 H LEU 100 -2.574 -0.532 -7.466 804 HA LEU 100 HA LEU 100 -0.528 -0.428 -9.572 805 HB2 LEU 100 HB2 LEU 100 0.019 1.249 -7.827 806 HB3 LEU 100 HB3 LEU 100 0.038 -0.035 -6.629 807 HG LEU 100 HG LEU 100 1.937 -1.090 -7.814 808 HD11 LEU 100 HD11 LEU 100 1.862 1.393 -9.527 809 HD12 LEU 100 HD12 LEU 100 3.107 0.143 -9.558 810 HD13 LEU 100 HD13 LEU 100 1.461 -0.241 -10.058 811 HD21 LEU 100 HD21 LEU 100 3.617 0.583 -7.185 812 HD22 LEU 100 HD22 LEU 100 2.351 1.804 -7.064 813 HD23 LEU 100 HD23 LEU 100 2.358 0.429 -5.959 814 H VAL 101 H VAL 101 -0.460 -2.472 -10.219 815 HA VAL 101 HA VAL 101 -0.475 -4.587 -8.185 816 HB VAL 101 HB VAL 101 -0.899 -6.133 -10.159 817 HG11 VAL 101 HG11 VAL 101 -3.297 -5.607 -10.215 818 HG12 VAL 101 HG12 VAL 101 -2.642 -5.506 -8.581 819 HG13 VAL 101 HG13 VAL 101 -2.962 -4.032 -9.496 820 HG21 VAL 101 HG21 VAL 101 -1.515 -3.517 -11.531 821 HG22 VAL 101 HG22 VAL 101 -0.206 -4.623 -11.949 822 HG23 VAL 101 HG23 VAL 101 -1.884 -5.122 -12.160 823 H GLY 102 H GLY 102 1.531 -4.924 -7.551 824 HA2 GLY 102 HA2 GLY 102 3.545 -6.215 -8.142 825 HA3 GLY 102 HA3 GLY 102 3.608 -5.260 -9.621 826 H ALA 103 H ALA 103 5.686 -5.504 -7.613 827 HA ALA 103 HA ALA 103 5.896 -2.693 -6.836 828 HB1 ALA 103 HB1 ALA 103 6.253 -4.985 -4.910 829 HB2 ALA 103 HB2 ALA 103 6.596 -3.292 -4.563 830 HB3 ALA 103 HB3 ALA 103 4.942 -3.805 -4.899 831 H GLU 104 H GLU 104 7.861 -1.899 -7.178 832 HA GLU 104 HA GLU 104 9.945 -3.776 -8.030 833 HB2 GLU 104 HB2 GLU 104 9.887 -0.799 -8.523 834 HB3 GLU 104 HB3 GLU 104 10.865 -2.009 -9.341 835 HG2 GLU 104 HG2 GLU 104 7.890 -1.628 -9.570 836 HG3 GLU 104 HG3 GLU 104 9.105 -1.279 -10.796 837 H ASP 105 H ASP 105 12.214 -2.456 -7.780 838 HA ASP 105 HA ASP 105 12.885 -2.564 -5.065 839 HB2 ASP 105 HB2 ASP 105 14.296 -1.328 -7.428 840 HB3 ASP 105 HB3 ASP 105 14.994 -1.333 -5.811 841 H ALA 106 H ALA 106 13.929 -0.717 -3.852 842 HA ALA 106 HA ALA 106 11.963 0.991 -3.014 843 HB1 ALA 106 HB1 ALA 106 14.918 1.505 -2.757 844 HB2 ALA 106 HB2 ALA 106 13.637 2.167 -1.741 845 HB3 ALA 106 HB3 ALA 106 13.972 0.435 -1.721 846 HA PRO 107 HA PRO 107 13.833 4.762 -5.461 847 HB2 PRO 107 HB2 PRO 107 15.275 4.100 -7.706 848 HB3 PRO 107 HB3 PRO 107 15.996 4.512 -6.150 849 HG2 PRO 107 HG2 PRO 107 15.474 1.819 -7.339 850 HG3 PRO 107 HG3 PRO 107 16.900 2.395 -6.455 851 HD2 PRO 107 HD2 PRO 107 15.047 0.861 -5.273 852 HD3 PRO 107 HD3 PRO 107 15.864 2.171 -4.391 853 H GLU 108 H GLU 108 13.257 1.843 -7.406 854 HA GLU 108 HA GLU 108 11.944 3.142 -9.530 855 HB2 GLU 108 HB2 GLU 108 11.739 0.271 -8.608 856 HB3 GLU 108 HB3 GLU 108 11.198 0.884 -10.162 857 HG2 GLU 108 HG2 GLU 108 14.033 0.821 -9.157 858 HG3 GLU 108 HG3 GLU 108 13.329 -0.226 -10.390 859 H LEU 109 H LEU 109 10.750 1.511 -6.625 860 HA LEU 109 HA LEU 109 7.994 1.770 -7.186 861 HB2 LEU 109 HB2 LEU 109 9.032 0.293 -5.447 862 HB3 LEU 109 HB3 LEU 109 9.319 1.716 -4.477 863 HG LEU 109 HG LEU 109 6.867 2.127 -4.405 864 HD11 LEU 109 HD11 LEU 109 6.724 -0.570 -5.741 865 HD12 LEU 109 HD12 LEU 109 5.359 0.302 -5.043 866 HD13 LEU 109 HD13 LEU 109 6.216 0.971 -6.434 867 HD21 LEU 109 HD21 LEU 109 7.995 0.987 -2.574 868 HD22 LEU 109 HD22 LEU 109 6.372 0.339 -2.814 869 HD23 LEU 109 HD23 LEU 109 7.776 -0.562 -3.390 870 H LEU 110 H LEU 110 10.229 3.733 -5.296 871 HA LEU 110 HA LEU 110 8.487 5.655 -4.328 872 HB2 LEU 110 HB2 LEU 110 10.864 5.429 -3.680 873 HB3 LEU 110 HB3 LEU 110 11.334 6.098 -5.231 874 HG LEU 110 HG LEU 110 10.194 8.213 -4.648 875 HD11 LEU 110 HD11 LEU 110 9.817 6.906 -1.956 876 HD12 LEU 110 HD12 LEU 110 9.487 8.594 -2.341 877 HD13 LEU 110 HD13 LEU 110 8.539 7.316 -3.098 878 HD21 LEU 110 HD21 LEU 110 11.847 8.956 -3.002 879 HD22 LEU 110 HD22 LEU 110 12.251 7.276 -2.651 880 HD23 LEU 110 HD23 LEU 110 12.584 7.946 -4.248 881 H LYS 111 H LYS 111 10.332 5.745 -7.388 882 HA LYS 111 HA LYS 111 9.156 8.200 -8.222 883 HB2 LYS 111 HB2 LYS 111 11.310 7.549 -9.112 884 HB3 LYS 111 HB3 LYS 111 10.616 6.096 -9.822 885 HG2 LYS 111 HG2 LYS 111 9.395 7.337 -11.415 886 HG3 LYS 111 HG3 LYS 111 9.716 8.859 -10.582 887 HD2 LYS 111 HD2 LYS 111 11.820 7.129 -11.880 888 HD3 LYS 111 HD3 LYS 111 11.084 8.548 -12.626 889 HE2 LYS 111 HE2 LYS 111 11.882 9.876 -10.645 890 HE3 LYS 111 HE3 LYS 111 12.783 8.447 -10.139 891 HZ1 LYS 111 HZ1 LYS 111 13.135 9.926 -12.690 892 HZ2 LYS 111 HZ2 LYS 111 14.197 9.943 -11.367 893 HZ3 LYS 111 HZ3 LYS 111 13.975 8.517 -12.260 894 H LYS 112 H LYS 112 8.362 4.818 -8.732 895 HA LYS 112 HA LYS 112 6.491 5.067 -10.790 896 HB2 LYS 112 HB2 LYS 112 7.382 2.925 -9.913 897 HB3 LYS 112 HB3 LYS 112 6.381 3.137 -8.482 898 HG2 LYS 112 HG2 LYS 112 5.379 1.619 -10.104 899 HG3 LYS 112 HG3 LYS 112 4.375 3.038 -9.824 900 HD2 LYS 112 HD2 LYS 112 5.338 4.041 -11.887 901 HD3 LYS 112 HD3 LYS 112 6.194 2.524 -12.176 902 HE2 LYS 112 HE2 LYS 112 4.080 1.335 -12.309 903 HE3 LYS 112 HE3 LYS 112 3.202 2.825 -11.961 904 HZ1 LYS 112 HZ1 LYS 112 4.202 3.762 -14.007 905 HZ2 LYS 112 HZ2 LYS 112 4.841 2.232 -14.364 906 HZ3 LYS 112 HZ3 LYS 112 3.161 2.455 -14.298 907 H VAL 113 H VAL 113 6.094 5.366 -7.290 908 HA VAL 113 HA VAL 113 3.280 5.743 -7.363 909 HB VAL 113 HB VAL 113 5.272 6.498 -5.219 910 HG11 VAL 113 HG11 VAL 113 3.345 6.559 -3.709 911 HG12 VAL 113 HG12 VAL 113 3.204 7.769 -4.985 912 HG13 VAL 113 HG13 VAL 113 2.268 6.276 -5.077 913 HG21 VAL 113 HG21 VAL 113 3.506 4.076 -5.549 914 HG22 VAL 113 HG22 VAL 113 5.263 4.117 -5.682 915 HG23 VAL 113 HG23 VAL 113 4.490 4.432 -4.129 916 H LYS 114 H LYS 114 6.014 8.009 -7.123 917 HA LYS 114 HA LYS 114 4.457 10.341 -6.868 918 HB2 LYS 114 HB2 LYS 114 7.279 9.944 -7.848 919 HB3 LYS 114 HB3 LYS 114 6.551 11.526 -7.586 920 HG2 LYS 114 HG2 LYS 114 6.234 11.038 -5.249 921 HG3 LYS 114 HG3 LYS 114 6.840 9.404 -5.476 922 HD2 LYS 114 HD2 LYS 114 8.644 10.551 -4.586 923 HD3 LYS 114 HD3 LYS 114 8.973 10.510 -6.316 924 HE2 LYS 114 HE2 LYS 114 7.546 12.835 -5.093 925 HE3 LYS 114 HE3 LYS 114 9.296 12.711 -4.998 926 HZ1 LYS 114 HZ1 LYS 114 9.178 12.403 -7.516 927 HZ2 LYS 114 HZ2 LYS 114 7.601 13.019 -7.402 928 HZ3 LYS 114 HZ3 LYS 114 8.923 13.957 -6.899 929 H LEU 115 H LEU 115 5.900 8.785 -9.714 930 HA LEU 115 HA LEU 115 4.974 10.757 -11.559 931 HB2 LEU 115 HB2 LEU 115 6.916 9.227 -11.928 932 HB3 LEU 115 HB3 LEU 115 5.784 7.900 -12.101 933 HG LEU 115 HG LEU 115 4.805 9.028 -14.081 934 HD11 LEU 115 HD11 LEU 115 5.359 11.327 -13.491 935 HD12 LEU 115 HD12 LEU 115 7.074 10.976 -13.705 936 HD13 LEU 115 HD13 LEU 115 5.982 10.913 -15.088 937 HD21 LEU 115 HD21 LEU 115 7.786 8.582 -14.224 938 HD22 LEU 115 HD22 LEU 115 6.544 7.335 -14.358 939 HD23 LEU 115 HD23 LEU 115 6.674 8.587 -15.592 940 H GLY 116 H GLY 116 3.586 7.983 -10.073 941 HA2 GLY 116 HA2 GLY 116 1.473 7.567 -11.955 942 HA3 GLY 116 HA3 GLY 116 1.557 6.925 -10.322 943 H VAL 117 H VAL 117 2.012 9.816 -9.408 944 HA VAL 117 HA VAL 117 -0.833 10.500 -9.288 945 HB VAL 117 HB VAL 117 1.421 11.749 -7.708 946 HG11 VAL 117 HG11 VAL 117 -0.405 12.470 -6.220 947 HG12 VAL 117 HG12 VAL 117 -0.568 13.129 -7.848 948 HG13 VAL 117 HG13 VAL 117 -1.573 11.771 -7.343 949 HG21 VAL 117 HG21 VAL 117 1.308 9.378 -7.199 950 HG22 VAL 117 HG22 VAL 117 0.694 10.327 -5.845 951 HG23 VAL 117 HG23 VAL 117 -0.430 9.503 -6.926 952 H GLU 118 H GLU 118 2.313 12.042 -9.910 953 HA GLU 118 HA GLU 118 0.972 14.406 -10.954 954 HB2 GLU 118 HB2 GLU 118 3.884 13.774 -10.481 955 HB3 GLU 118 HB3 GLU 118 3.307 15.293 -11.152 956 HG2 GLU 118 HG2 GLU 118 2.098 15.774 -9.124 957 HG3 GLU 118 HG3 GLU 118 2.545 14.207 -8.453 958 H SER 119 H SER 119 0.265 14.275 -12.951 959 HA SER 119 HA SER 119 1.445 12.580 -14.927 960 HB2 SER 119 HB2 SER 119 -0.953 13.003 -14.967 961 HB3 SER 119 HB3 SER 119 -0.670 14.733 -15.156 962 HG SER 119 HG SER 119 0.044 14.420 -17.202 963 H GLU 120 H GLU 120 1.757 15.942 -14.030 964 HA GLU 120 HA GLU 120 3.327 16.423 -16.475 965 HB2 GLU 120 HB2 GLU 120 2.036 18.468 -14.661 966 HB3 GLU 120 HB3 GLU 120 2.857 18.790 -16.183 967 HG2 GLU 120 HG2 GLU 120 0.250 17.357 -15.760 968 HG3 GLU 120 HG3 GLU 120 0.526 18.882 -16.599 969 H GLY 121 H GLY 121 5.337 17.397 -16.351 970 HA2 GLY 121 HA2 GLY 121 6.651 18.535 -14.256 971 HA3 GLY 121 HA3 GLY 121 6.810 16.808 -13.954 Start of MODEL 18 1 H ALA 1 H ALA 1 8.831 -9.845 8.503 2 HA ALA 1 HA ALA 1 9.108 -10.630 10.722 3 HB1 ALA 1 HB1 ALA 1 11.489 -11.064 10.694 4 HB2 ALA 1 HB2 ALA 1 10.846 -11.136 9.052 5 HB3 ALA 1 HB3 ALA 1 11.745 -9.715 9.586 6 H GLN 2 H GLN 2 11.332 -7.836 10.397 7 HA GLN 2 HA GLN 2 10.805 -7.254 13.232 8 HB2 GLN 2 HB2 GLN 2 13.009 -6.286 13.391 9 HB3 GLN 2 HB3 GLN 2 13.149 -7.898 12.713 10 HG2 GLN 2 HG2 GLN 2 13.116 -5.418 11.019 11 HG3 GLN 2 HG3 GLN 2 14.594 -6.104 11.683 12 HE21 GLN 2 HE21 GLN 2 15.403 -8.009 10.836 13 HE22 GLN 2 HE22 GLN 2 14.810 -8.695 9.360 14 H ALA 3 H ALA 3 10.526 -5.102 13.882 15 HA ALA 3 HA ALA 3 9.481 -3.338 11.822 16 HB1 ALA 3 HB1 ALA 3 9.604 -2.981 14.817 17 HB2 ALA 3 HB2 ALA 3 8.739 -1.942 13.685 18 HB3 ALA 3 HB3 ALA 3 8.232 -3.616 13.908 19 H ASP 4 H ASP 4 10.606 -1.763 10.905 20 HA ASP 4 HA ASP 4 12.573 -0.208 12.275 21 HB2 ASP 4 HB2 ASP 4 14.030 -2.078 11.912 22 HB3 ASP 4 HB3 ASP 4 13.500 -2.243 10.242 23 H GLY 5 H GLY 5 11.459 -1.312 9.097 24 HA2 GLY 5 HA2 GLY 5 11.781 1.359 7.985 25 HA3 GLY 5 HA3 GLY 5 11.232 -0.072 7.128 26 H ILE 6 H ILE 6 9.356 0.517 6.280 27 HA ILE 6 HA ILE 6 7.448 2.231 7.386 28 HB ILE 6 HB ILE 6 7.025 -0.048 5.444 29 HG12 ILE 6 HG12 ILE 6 8.632 1.748 4.741 30 HG13 ILE 6 HG13 ILE 6 7.221 1.593 3.700 31 HG21 ILE 6 HG21 ILE 6 4.959 1.096 4.814 32 HG22 ILE 6 HG22 ILE 6 4.932 0.617 6.511 33 HG23 ILE 6 HG23 ILE 6 5.238 2.298 6.073 34 HD11 ILE 6 HD11 ILE 6 7.768 3.924 4.102 35 HD12 ILE 6 HD12 ILE 6 6.199 3.519 4.799 36 HD13 ILE 6 HD13 ILE 6 7.613 3.672 5.842 37 H ALA 7 H ALA 7 5.938 1.989 8.916 38 HA ALA 7 HA ALA 7 5.485 -0.702 10.008 39 HB1 ALA 7 HB1 ALA 7 4.621 0.410 11.997 40 HB2 ALA 7 HB2 ALA 7 6.247 0.985 11.620 41 HB3 ALA 7 HB3 ALA 7 4.846 1.982 11.230 42 H PHE 8 H PHE 8 4.019 -1.411 8.443 43 HA PHE 8 HA PHE 8 1.653 0.061 7.800 44 HB2 PHE 8 HB2 PHE 8 2.497 -2.799 7.330 45 HB3 PHE 8 HB3 PHE 8 0.927 -2.186 6.839 46 HD1 PHE 8 HD1 PHE 8 1.079 0.088 5.444 47 HD2 PHE 8 HD2 PHE 8 4.154 -2.836 5.754 48 HE1 PHE 8 HE1 PHE 8 2.045 0.886 3.327 49 HE2 PHE 8 HE2 PHE 8 5.127 -2.045 3.638 50 HZ PHE 8 HZ PHE 8 4.070 -0.181 2.419 51 H ARG 9 H ARG 9 -0.041 0.289 9.059 52 HA ARG 9 HA ARG 9 -0.371 -1.512 11.340 53 HB2 ARG 9 HB2 ARG 9 -1.560 1.203 10.734 54 HB3 ARG 9 HB3 ARG 9 -1.874 0.275 12.197 55 HG2 ARG 9 HG2 ARG 9 0.359 0.471 12.920 56 HG3 ARG 9 HG3 ARG 9 0.894 1.065 11.350 57 HD2 ARG 9 HD2 ARG 9 -0.323 3.128 11.682 58 HD3 ARG 9 HD3 ARG 9 -0.981 2.529 13.205 59 HE ARG 9 HE ARG 9 1.436 2.414 13.933 60 HH11 ARG 9 HH11 ARG 9 0.289 4.768 11.608 61 HH12 ARG 9 HH12 ARG 9 1.584 5.888 11.907 62 HH21 ARG 9 HH21 ARG 9 3.139 3.873 14.334 63 HH22 ARG 9 HH22 ARG 9 3.190 5.390 13.483 64 H GLU 10 H GLU 10 -2.504 -2.286 11.899 65 HA GLU 10 HA GLU 10 -4.293 -2.472 9.583 66 HB2 GLU 10 HB2 GLU 10 -4.788 -4.857 10.699 67 HB3 GLU 10 HB3 GLU 10 -3.612 -4.615 9.419 68 HG2 GLU 10 HG2 GLU 10 -2.628 -6.003 11.074 69 HG3 GLU 10 HG3 GLU 10 -1.847 -4.427 11.159 70 H LEU 11 H LEU 11 -6.089 -1.523 10.014 71 HA LEU 11 HA LEU 11 -7.484 -2.168 12.498 72 HB2 LEU 11 HB2 LEU 11 -8.280 0.145 12.723 73 HB3 LEU 11 HB3 LEU 11 -6.546 0.024 12.913 74 HG LEU 11 HG LEU 11 -7.762 0.861 10.289 75 HD11 LEU 11 HD11 LEU 11 -7.446 3.188 11.012 76 HD12 LEU 11 HD12 LEU 11 -8.659 2.359 11.988 77 HD13 LEU 11 HD13 LEU 11 -7.037 2.624 12.633 78 HD21 LEU 11 HD21 LEU 11 -5.595 1.970 10.009 79 HD22 LEU 11 HD22 LEU 11 -5.083 1.367 11.586 80 HD23 LEU 11 HD23 LEU 11 -5.401 0.237 10.271 81 H SER 12 H SER 12 -9.857 -1.558 12.285 82 HA SER 12 HA SER 12 -10.908 -2.938 10.100 83 HB2 SER 12 HB2 SER 12 -12.314 -0.939 11.882 84 HB3 SER 12 HB3 SER 12 -13.094 -2.164 10.883 85 HG SER 12 HG SER 12 -11.270 -3.396 12.365 86 H PHE 13 H PHE 13 -11.770 -2.358 8.178 87 HA PHE 13 HA PHE 13 -10.674 -0.269 6.778 88 HB2 PHE 13 HB2 PHE 13 -11.746 -2.252 5.754 89 HB3 PHE 13 HB3 PHE 13 -13.319 -1.591 6.151 90 HD1 PHE 13 HD1 PHE 13 -10.277 -1.018 4.145 91 HD2 PHE 13 HD2 PHE 13 -14.362 -0.004 4.769 92 HE1 PHE 13 HE1 PHE 13 -10.294 0.207 2.011 93 HE2 PHE 13 HE2 PHE 13 -14.391 1.218 2.632 94 HZ PHE 13 HZ PHE 13 -12.353 1.328 1.253 95 HA PRO 14 HA PRO 14 -14.879 2.337 7.490 96 HB2 PRO 14 HB2 PRO 14 -15.313 1.215 10.221 97 HB3 PRO 14 HB3 PRO 14 -16.494 1.835 9.061 98 HG2 PRO 14 HG2 PRO 14 -16.188 -0.784 9.426 99 HG3 PRO 14 HG3 PRO 14 -16.483 -0.116 7.810 100 HD2 PRO 14 HD2 PRO 14 -13.970 -1.187 8.986 101 HD3 PRO 14 HD3 PRO 14 -14.539 -1.209 7.309 102 H GLU 15 H GLU 15 -12.871 1.296 10.237 103 HA GLU 15 HA GLU 15 -12.657 3.863 11.407 104 HB2 GLU 15 HB2 GLU 15 -11.003 1.358 11.709 105 HB3 GLU 15 HB3 GLU 15 -10.687 2.827 12.616 106 HG2 GLU 15 HG2 GLU 15 -13.111 2.665 13.389 107 HG3 GLU 15 HG3 GLU 15 -13.079 1.027 12.737 108 H ALA 16 H ALA 16 -10.578 2.015 9.228 109 HA ALA 16 HA ALA 16 -8.422 3.835 9.305 110 HB1 ALA 16 HB1 ALA 16 -9.139 1.806 7.188 111 HB2 ALA 16 HB2 ALA 16 -7.585 2.628 7.337 112 HB3 ALA 16 HB3 ALA 16 -8.125 1.525 8.603 113 H LEU 17 H LEU 17 -11.162 3.449 7.108 114 HA LEU 17 HA LEU 17 -10.432 5.391 5.212 115 HB2 LEU 17 HB2 LEU 17 -12.282 3.641 5.093 116 HB3 LEU 17 HB3 LEU 17 -13.249 4.740 6.051 117 HG LEU 17 HG LEU 17 -13.074 6.441 4.288 118 HD11 LEU 17 HD11 LEU 17 -11.633 4.291 2.745 119 HD12 LEU 17 HD12 LEU 17 -12.168 5.846 2.102 120 HD13 LEU 17 HD13 LEU 17 -10.924 5.788 3.352 121 HD21 LEU 17 HD21 LEU 17 -14.524 5.339 2.662 122 HD22 LEU 17 HD22 LEU 17 -14.068 3.765 3.316 123 HD23 LEU 17 HD23 LEU 17 -14.971 4.905 4.313 124 H LYS 18 H LYS 18 -12.380 5.564 8.139 125 HA LYS 18 HA LYS 18 -12.997 8.307 8.049 126 HB2 LYS 18 HB2 LYS 18 -14.138 6.746 9.549 127 HB3 LYS 18 HB3 LYS 18 -12.646 6.496 10.445 128 HG2 LYS 18 HG2 LYS 18 -12.655 8.856 11.097 129 HG3 LYS 18 HG3 LYS 18 -14.175 9.078 10.228 130 HD2 LYS 18 HD2 LYS 18 -15.173 7.317 11.697 131 HD3 LYS 18 HD3 LYS 18 -13.676 7.328 12.633 132 HE2 LYS 18 HE2 LYS 18 -15.369 8.729 13.685 133 HE3 LYS 18 HE3 LYS 18 -14.003 9.698 13.131 134 HZ1 LYS 18 HZ1 LYS 18 -16.108 10.749 12.600 135 HZ2 LYS 18 HZ2 LYS 18 -15.283 10.328 11.181 136 HZ3 LYS 18 HZ3 LYS 18 -16.596 9.391 11.710 137 H ARG 19 H ARG 19 -10.287 6.556 9.492 138 HA ARG 19 HA ARG 19 -9.059 8.689 10.787 139 HB2 ARG 19 HB2 ARG 19 -8.487 6.428 11.323 140 HB3 ARG 19 HB3 ARG 19 -7.998 6.100 9.675 141 HG2 ARG 19 HG2 ARG 19 -6.070 6.322 11.060 142 HG3 ARG 19 HG3 ARG 19 -6.170 7.651 9.907 143 HD2 ARG 19 HD2 ARG 19 -5.514 8.345 12.187 144 HD3 ARG 19 HD3 ARG 19 -6.954 9.151 11.583 145 HE ARG 19 HE ARG 19 -7.577 6.821 13.127 146 HH11 ARG 19 HH11 ARG 19 -6.678 10.197 13.341 147 HH12 ARG 19 HH12 ARG 19 -7.449 10.443 14.882 148 HH21 ARG 19 HH21 ARG 19 -8.571 7.126 15.168 149 HH22 ARG 19 HH22 ARG 19 -8.491 8.674 15.953 150 H ALA 20 H ALA 20 -8.715 7.449 7.482 151 HA ALA 20 HA ALA 20 -6.616 9.142 6.679 152 HB1 ALA 20 HB1 ALA 20 -7.328 8.656 4.397 153 HB2 ALA 20 HB2 ALA 20 -7.330 7.192 5.382 154 HB3 ALA 20 HB3 ALA 20 -8.851 8.002 5.004 155 H GLU 21 H GLU 21 -10.109 9.562 6.724 156 HA GLU 21 HA GLU 21 -10.168 11.998 5.291 157 HB2 GLU 21 HB2 GLU 21 -12.129 10.537 5.553 158 HB3 GLU 21 HB3 GLU 21 -12.165 10.892 7.273 159 HG2 GLU 21 HG2 GLU 21 -12.571 13.260 6.752 160 HG3 GLU 21 HG3 GLU 21 -12.606 12.857 5.037 161 H VAL 22 H VAL 22 -10.163 11.286 8.782 162 HA VAL 22 HA VAL 22 -10.295 14.040 9.523 163 HB VAL 22 HB VAL 22 -9.781 13.313 11.809 164 HG11 VAL 22 HG11 VAL 22 -11.825 11.598 10.404 165 HG12 VAL 22 HG12 VAL 22 -11.749 11.882 12.144 166 HG13 VAL 22 HG13 VAL 22 -12.077 13.224 11.046 167 HG21 VAL 22 HG21 VAL 22 -9.495 10.946 12.340 168 HG22 VAL 22 HG22 VAL 22 -9.481 10.557 10.620 169 HG23 VAL 22 HG23 VAL 22 -8.187 11.534 11.313 170 H GLU 23 H GLU 23 -7.719 11.862 8.735 171 HA GLU 23 HA GLU 23 -5.652 13.587 9.800 172 HB2 GLU 23 HB2 GLU 23 -5.482 11.065 9.651 173 HB3 GLU 23 HB3 GLU 23 -5.335 11.249 7.910 174 HG2 GLU 23 HG2 GLU 23 -3.158 10.963 8.875 175 HG3 GLU 23 HG3 GLU 23 -3.309 12.603 8.246 176 H ASP 24 H ASP 24 -7.548 13.451 7.017 177 HA ASP 24 HA ASP 24 -7.596 14.610 5.070 178 HB2 ASP 24 HB2 ASP 24 -5.509 16.229 6.519 179 HB3 ASP 24 HB3 ASP 24 -5.955 16.591 4.856 180 H LYS 25 H LYS 25 -5.927 12.247 5.397 181 HA LYS 25 HA LYS 25 -4.072 12.735 3.162 182 HB2 LYS 25 HB2 LYS 25 -3.596 10.876 5.504 183 HB3 LYS 25 HB3 LYS 25 -2.543 11.046 4.102 184 HG2 LYS 25 HG2 LYS 25 -2.246 13.450 4.736 185 HG3 LYS 25 HG3 LYS 25 -3.111 13.092 6.231 186 HD2 LYS 25 HD2 LYS 25 -1.411 11.328 6.711 187 HD3 LYS 25 HD3 LYS 25 -0.513 11.879 5.292 188 HE2 LYS 25 HE2 LYS 25 -1.142 13.451 7.785 189 HE3 LYS 25 HE3 LYS 25 0.441 12.893 7.247 190 HZ1 LYS 25 HZ1 LYS 25 0.204 14.349 5.292 191 HZ2 LYS 25 HZ2 LYS 25 -1.262 14.933 5.920 192 HZ3 LYS 25 HZ3 LYS 25 0.186 15.212 6.752 193 H LEU 26 H LEU 26 -3.392 10.476 2.249 194 HA LEU 26 HA LEU 26 -5.890 9.039 1.733 195 HB2 LEU 26 HB2 LEU 26 -3.319 9.219 0.169 196 HB3 LEU 26 HB3 LEU 26 -4.575 8.063 -0.210 197 HG LEU 26 HG LEU 26 -6.136 10.038 -0.528 198 HD11 LEU 26 HD11 LEU 26 -3.533 11.560 -0.520 199 HD12 LEU 26 HD12 LEU 26 -5.106 12.199 -0.998 200 HD13 LEU 26 HD13 LEU 26 -4.822 11.712 0.674 201 HD21 LEU 26 HD21 LEU 26 -3.739 9.786 -2.337 202 HD22 LEU 26 HD22 LEU 26 -5.189 8.785 -2.385 203 HD23 LEU 26 HD23 LEU 26 -5.290 10.503 -2.774 204 H LEU 27 H LEU 27 -5.824 6.734 1.542 205 HA LEU 27 HA LEU 27 -4.160 5.520 3.588 206 HB2 LEU 27 HB2 LEU 27 -6.518 4.563 1.979 207 HB3 LEU 27 HB3 LEU 27 -5.609 3.496 3.029 208 HG LEU 27 HG LEU 27 -7.073 5.979 3.933 209 HD11 LEU 27 HD11 LEU 27 -8.590 4.213 3.169 210 HD12 LEU 27 HD12 LEU 27 -7.795 3.069 4.252 211 HD13 LEU 27 HD13 LEU 27 -8.679 4.443 4.915 212 HD21 LEU 27 HD21 LEU 27 -5.710 3.788 5.498 213 HD22 LEU 27 HD22 LEU 27 -5.143 5.449 5.324 214 HD23 LEU 27 HD23 LEU 27 -6.647 5.117 6.185 215 H PHE 28 H PHE 28 -2.226 4.781 2.996 216 HA PHE 28 HA PHE 28 -1.858 3.667 0.328 217 HB2 PHE 28 HB2 PHE 28 -0.073 5.107 1.224 218 HB3 PHE 28 HB3 PHE 28 0.109 4.030 2.604 219 HD1 PHE 28 HD1 PHE 28 0.245 4.002 -1.115 220 HD2 PHE 28 HD2 PHE 28 1.700 2.368 2.533 221 HE1 PHE 28 HE1 PHE 28 1.881 2.662 -2.372 222 HE2 PHE 28 HE2 PHE 28 3.339 1.023 1.284 223 HZ PHE 28 HZ PHE 28 3.427 1.165 -1.171 224 H VAL 29 H VAL 29 -2.733 1.720 0.155 225 HA VAL 29 HA VAL 29 -2.814 -0.016 2.497 226 HB VAL 29 HB VAL 29 -4.213 -0.346 -0.162 227 HG11 VAL 29 HG11 VAL 29 -3.893 -2.459 1.023 228 HG12 VAL 29 HG12 VAL 29 -4.634 -1.768 2.467 229 HG13 VAL 29 HG13 VAL 29 -5.594 -1.991 1.004 230 HG21 VAL 29 HG21 VAL 29 -5.244 0.739 2.462 231 HG22 VAL 29 HG22 VAL 29 -4.996 1.652 0.973 232 HG23 VAL 29 HG23 VAL 29 -6.230 0.395 1.041 233 H ASP 30 H ASP 30 -1.205 -1.336 2.756 234 HA ASP 30 HA ASP 30 0.315 -2.424 0.560 235 HB2 ASP 30 HB2 ASP 30 1.443 -1.952 2.679 236 HB3 ASP 30 HB3 ASP 30 0.352 -3.041 3.528 237 H CYS 31 H CYS 31 -0.833 -3.756 -0.688 238 HA CYS 31 HA CYS 31 -2.455 -5.846 0.578 239 HB2 CYS 31 HB2 CYS 31 -3.594 -4.427 -1.087 240 HB3 CYS 31 HB3 CYS 31 -2.399 -4.876 -2.291 241 HG CYS 31 HG CYS 31 -3.212 -7.711 -1.854 242 H PHE 32 H PHE 32 -1.426 -7.706 0.843 243 HA PHE 32 HA PHE 32 0.301 -8.674 -1.306 244 HB2 PHE 32 HB2 PHE 32 2.072 -9.297 0.238 245 HB3 PHE 32 HB3 PHE 32 1.768 -7.569 0.360 246 HD1 PHE 32 HD1 PHE 32 0.234 -6.791 2.286 247 HD2 PHE 32 HD2 PHE 32 2.093 -10.619 2.140 248 HE1 PHE 32 HE1 PHE 32 -0.044 -7.021 4.719 249 HE2 PHE 32 HE2 PHE 32 1.811 -10.851 4.571 250 HZ PHE 32 HZ PHE 32 0.741 -9.051 5.863 251 H THR 33 H THR 33 0.537 -10.940 -1.359 252 HA THR 33 HA THR 33 -1.546 -12.351 0.145 253 HB THR 33 HB THR 33 0.107 -13.704 -1.955 254 HG1 THR 33 HG1 THR 33 -1.508 -11.490 -2.360 255 HG21 THR 33 HG21 THR 33 -1.988 -14.856 -2.402 256 HG22 THR 33 HG22 THR 33 -1.624 -14.921 -0.678 257 HG23 THR 33 HG23 THR 33 -2.835 -13.792 -1.280 258 H THR 34 H THR 34 -0.998 -14.407 1.147 259 HA THR 34 HA THR 34 1.282 -14.104 2.811 260 HB THR 34 HB THR 34 -0.439 -16.572 2.619 261 HG1 THR 34 HG1 THR 34 -1.035 -13.956 3.517 262 HG21 THR 34 HG21 THR 34 1.482 -16.669 4.152 263 HG22 THR 34 HG22 THR 34 0.924 -15.195 4.942 264 HG23 THR 34 HG23 THR 34 -0.042 -16.665 5.040 265 H TRP 35 H TRP 35 1.023 -15.335 -0.262 266 HA TRP 35 HA TRP 35 2.905 -17.492 -0.095 267 HB2 TRP 35 HB2 TRP 35 1.980 -15.853 -2.468 268 HB3 TRP 35 HB3 TRP 35 2.972 -17.300 -2.572 269 HD1 TRP 35 HD1 TRP 35 -0.574 -16.249 -1.456 270 HE1 TRP 35 HE1 TRP 35 -2.147 -18.261 -1.784 271 HE3 TRP 35 HE3 TRP 35 2.876 -19.723 -2.899 272 HZ2 TRP 35 HZ2 TRP 35 -1.939 -20.970 -2.567 273 HZ3 TRP 35 HZ3 TRP 35 2.108 -21.994 -3.431 274 HH2 TRP 35 HH2 TRP 35 -0.248 -22.608 -3.267 275 H CYS 36 H CYS 36 5.073 -17.393 -0.150 276 HA CYS 36 HA CYS 36 6.322 -14.790 -0.057 277 HB2 CYS 36 HB2 CYS 36 7.001 -16.705 1.425 278 HB3 CYS 36 HB3 CYS 36 7.635 -17.520 0.001 279 HG CYS 36 HG CYS 36 9.242 -15.616 1.985 280 H GLY 37 H GLY 37 6.833 -13.742 -1.854 281 HA2 GLY 37 HA2 GLY 37 8.166 -15.152 -4.024 282 HA3 GLY 37 HA3 GLY 37 6.625 -14.410 -4.428 283 HA PRO 38 HA PRO 38 9.432 -11.094 -5.685 284 HB2 PRO 38 HB2 PRO 38 7.298 -9.422 -6.343 285 HB3 PRO 38 HB3 PRO 38 8.128 -10.523 -7.444 286 HG2 PRO 38 HG2 PRO 38 5.561 -10.880 -5.977 287 HG3 PRO 38 HG3 PRO 38 6.022 -11.437 -7.596 288 HD2 PRO 38 HD2 PRO 38 5.917 -13.112 -5.507 289 HD3 PRO 38 HD3 PRO 38 7.148 -13.285 -6.776 290 H CYS 39 H CYS 39 6.784 -10.948 -3.430 291 HA CYS 39 HA CYS 39 7.079 -8.346 -2.460 292 HB2 CYS 39 HB2 CYS 39 6.068 -9.401 -0.333 293 HB3 CYS 39 HB3 CYS 39 5.125 -9.458 -1.820 294 HG CYS 39 HG CYS 39 4.591 -11.926 -1.229 295 H LYS 40 H LYS 40 8.926 -11.254 -1.816 296 HA LYS 40 HA LYS 40 10.120 -10.471 0.606 297 HB2 LYS 40 HB2 LYS 40 11.617 -12.265 0.286 298 HB3 LYS 40 HB3 LYS 40 10.119 -12.782 -0.462 299 HG2 LYS 40 HG2 LYS 40 11.146 -11.937 -2.653 300 HG3 LYS 40 HG3 LYS 40 12.674 -11.921 -1.772 301 HD2 LYS 40 HD2 LYS 40 10.877 -14.302 -2.217 302 HD3 LYS 40 HD3 LYS 40 12.434 -14.004 -2.986 303 HE2 LYS 40 HE2 LYS 40 13.534 -14.140 -0.802 304 HE3 LYS 40 HE3 LYS 40 11.974 -14.444 -0.036 305 HZ1 LYS 40 HZ1 LYS 40 13.049 -16.524 -0.355 306 HZ2 LYS 40 HZ2 LYS 40 11.789 -16.442 -1.490 307 HZ3 LYS 40 HZ3 LYS 40 13.392 -16.181 -1.978 308 H ARG 41 H ARG 41 10.783 -9.682 -2.705 309 HA ARG 41 HA ARG 41 13.358 -8.518 -2.270 310 HB2 ARG 41 HB2 ARG 41 12.614 -9.347 -4.473 311 HB3 ARG 41 HB3 ARG 41 11.378 -8.102 -4.523 312 HG2 ARG 41 HG2 ARG 41 13.147 -6.388 -4.476 313 HG3 ARG 41 HG3 ARG 41 14.348 -7.680 -4.552 314 HD2 ARG 41 HD2 ARG 41 12.191 -7.174 -6.594 315 HD3 ARG 41 HD3 ARG 41 13.875 -6.702 -6.754 316 HE ARG 41 HE ARG 41 13.402 -9.525 -6.292 317 HH11 ARG 41 HH11 ARG 41 13.883 -6.992 -8.662 318 HH12 ARG 41 HH12 ARG 41 14.457 -8.084 -9.889 319 HH21 ARG 41 HH21 ARG 41 14.165 -10.958 -7.906 320 HH22 ARG 41 HH22 ARG 41 14.612 -10.327 -9.467 321 H LEU 42 H LEU 42 10.050 -7.302 -2.550 322 HA LEU 42 HA LEU 42 10.634 -4.566 -2.283 323 HB2 LEU 42 HB2 LEU 42 8.468 -5.382 -3.063 324 HB3 LEU 42 HB3 LEU 42 8.153 -6.095 -1.493 325 HG LEU 42 HG LEU 42 8.192 -3.803 -0.505 326 HD11 LEU 42 HD11 LEU 42 7.968 -1.889 -2.019 327 HD12 LEU 42 HD12 LEU 42 9.536 -2.680 -2.181 328 HD13 LEU 42 HD13 LEU 42 8.282 -2.948 -3.393 329 HD21 LEU 42 HD21 LEU 42 5.988 -3.167 -1.338 330 HD22 LEU 42 HD22 LEU 42 6.183 -4.272 -2.699 331 HD23 LEU 42 HD23 LEU 42 6.095 -4.905 -1.055 332 H SER 43 H SER 43 9.714 -7.006 0.131 333 HA SER 43 HA SER 43 9.703 -5.370 2.382 334 HB2 SER 43 HB2 SER 43 10.513 -8.281 2.232 335 HB3 SER 43 HB3 SER 43 9.939 -7.428 3.666 336 HG SER 43 HG SER 43 8.071 -6.997 1.948 337 H LYS 44 H LYS 44 12.360 -6.729 0.611 338 HA LYS 44 HA LYS 44 14.305 -6.456 2.688 339 HB2 LYS 44 HB2 LYS 44 14.486 -8.110 0.874 340 HB3 LYS 44 HB3 LYS 44 14.662 -6.808 -0.293 341 HG2 LYS 44 HG2 LYS 44 16.761 -6.145 0.720 342 HG3 LYS 44 HG3 LYS 44 16.573 -7.388 1.961 343 HD2 LYS 44 HD2 LYS 44 16.604 -9.116 0.212 344 HD3 LYS 44 HD3 LYS 44 16.829 -7.862 -1.008 345 HE2 LYS 44 HE2 LYS 44 18.951 -7.245 -0.015 346 HE3 LYS 44 HE3 LYS 44 18.716 -8.424 1.275 347 HZ1 LYS 44 HZ1 LYS 44 19.015 -9.031 -1.618 348 HZ2 LYS 44 HZ2 LYS 44 20.179 -9.299 -0.414 349 HZ3 LYS 44 HZ3 LYS 44 18.732 -10.179 -0.403 350 H VAL 45 H VAL 45 13.081 -4.344 0.171 351 HA VAL 45 HA VAL 45 15.338 -2.532 0.562 352 HB VAL 45 HB VAL 45 14.379 -1.314 -1.416 353 HG11 VAL 45 HG11 VAL 45 16.268 -2.829 -1.623 354 HG12 VAL 45 HG12 VAL 45 15.165 -4.193 -1.808 355 HG13 VAL 45 HG13 VAL 45 15.224 -2.933 -3.041 356 HG21 VAL 45 HG21 VAL 45 12.676 -3.786 -1.669 357 HG22 VAL 45 HG22 VAL 45 12.087 -2.170 -1.284 358 HG23 VAL 45 HG23 VAL 45 12.815 -2.489 -2.859 359 H VAL 46 H VAL 46 11.765 -2.465 0.618 360 HA VAL 46 HA VAL 46 11.706 0.340 1.184 361 HB VAL 46 HB VAL 46 9.908 -0.801 -0.054 362 HG11 VAL 46 HG11 VAL 46 8.203 -2.082 1.161 363 HG12 VAL 46 HG12 VAL 46 9.778 -2.874 1.151 364 HG13 VAL 46 HG13 VAL 46 9.223 -2.036 2.600 365 HG21 VAL 46 HG21 VAL 46 8.017 0.333 1.030 366 HG22 VAL 46 HG22 VAL 46 9.004 0.572 2.472 367 HG23 VAL 46 HG23 VAL 46 9.454 1.355 0.956 368 H PHE 47 H PHE 47 11.772 -2.527 3.135 369 HA PHE 47 HA PHE 47 10.971 -1.059 5.517 370 HB2 PHE 47 HB2 PHE 47 11.645 -3.967 5.079 371 HB3 PHE 47 HB3 PHE 47 11.300 -3.288 6.665 372 HD1 PHE 47 HD1 PHE 47 9.047 -1.735 6.560 373 HD2 PHE 47 HD2 PHE 47 9.926 -5.108 4.131 374 HE1 PHE 47 HE1 PHE 47 6.641 -2.087 6.185 375 HE2 PHE 47 HE2 PHE 47 7.526 -5.468 3.748 376 HZ PHE 47 HZ PHE 47 5.878 -3.956 4.776 377 H LYS 48 H LYS 48 13.634 -0.791 3.942 378 HA LYS 48 HA LYS 48 15.306 -0.943 6.353 379 HB2 LYS 48 HB2 LYS 48 16.047 -2.674 4.830 380 HB3 LYS 48 HB3 LYS 48 16.167 -1.512 3.516 381 HG2 LYS 48 HG2 LYS 48 18.002 -0.406 4.554 382 HG3 LYS 48 HG3 LYS 48 17.795 -1.333 6.039 383 HD2 LYS 48 HD2 LYS 48 18.463 -2.579 3.377 384 HD3 LYS 48 HD3 LYS 48 19.680 -2.085 4.556 385 HE2 LYS 48 HE2 LYS 48 17.463 -4.070 5.057 386 HE3 LYS 48 HE3 LYS 48 19.141 -4.483 4.708 387 HZ1 LYS 48 HZ1 LYS 48 18.773 -4.573 7.059 388 HZ2 LYS 48 HZ2 LYS 48 19.777 -3.249 6.731 389 HZ3 LYS 48 HZ3 LYS 48 18.134 -3.006 7.083 390 H ASP 49 H ASP 49 14.714 0.763 3.307 391 HA ASP 49 HA ASP 49 16.638 2.802 3.885 392 HB2 ASP 49 HB2 ASP 49 15.964 2.225 1.570 393 HB3 ASP 49 HB3 ASP 49 14.364 2.887 1.895 394 H SER 50 H SER 50 16.438 4.386 5.261 395 HA SER 50 HA SER 50 14.043 4.806 6.725 396 HB2 SER 50 HB2 SER 50 16.586 6.440 6.675 397 HB3 SER 50 HB3 SER 50 15.317 6.544 7.896 398 HG SER 50 HG SER 50 15.739 4.310 8.359 399 H LEU 51 H LEU 51 15.407 6.335 3.913 400 HA LEU 51 HA LEU 51 13.960 8.782 4.119 401 HB2 LEU 51 HB2 LEU 51 15.977 8.482 2.699 402 HB3 LEU 51 HB3 LEU 51 15.048 7.444 1.640 403 HG LEU 51 HG LEU 51 13.549 9.351 1.130 404 HD11 LEU 51 HD11 LEU 51 14.232 11.607 1.772 405 HD12 LEU 51 HD12 LEU 51 13.870 10.619 3.188 406 HD13 LEU 51 HD13 LEU 51 15.546 10.936 2.740 407 HD21 LEU 51 HD21 LEU 51 15.163 10.589 -0.251 408 HD22 LEU 51 HD22 LEU 51 16.484 9.820 0.630 409 HD23 LEU 51 HD23 LEU 51 15.396 8.843 -0.357 410 H VAL 52 H VAL 52 13.487 5.807 2.237 411 HA VAL 52 HA VAL 52 10.975 6.483 1.180 412 HB VAL 52 HB VAL 52 12.092 3.743 1.828 413 HG11 VAL 52 HG11 VAL 52 9.658 3.666 1.604 414 HG12 VAL 52 HG12 VAL 52 9.773 4.485 0.047 415 HG13 VAL 52 HG13 VAL 52 10.451 2.870 0.245 416 HG21 VAL 52 HG21 VAL 52 12.050 5.332 -0.732 417 HG22 VAL 52 HG22 VAL 52 13.466 4.965 0.254 418 HG23 VAL 52 HG23 VAL 52 12.607 3.666 -0.576 419 H ALA 53 H ALA 53 11.931 4.914 4.182 420 HA ALA 53 HA ALA 53 9.446 4.153 5.160 421 HB1 ALA 53 HB1 ALA 53 10.469 4.188 7.371 422 HB2 ALA 53 HB2 ALA 53 11.568 3.487 6.183 423 HB3 ALA 53 HB3 ALA 53 11.815 5.140 6.744 424 H ASP 54 H ASP 54 11.136 7.255 5.509 425 HA ASP 54 HA ASP 54 9.085 8.428 7.112 426 HB2 ASP 54 HB2 ASP 54 11.430 9.222 7.162 427 HB3 ASP 54 HB3 ASP 54 11.258 9.787 5.502 428 H TYR 55 H TYR 55 9.899 8.465 3.693 429 HA TYR 55 HA TYR 55 8.242 10.521 2.826 430 HB2 TYR 55 HB2 TYR 55 10.034 9.311 1.519 431 HB3 TYR 55 HB3 TYR 55 8.874 8.013 1.267 432 HD1 TYR 55 HD1 TYR 55 9.075 11.726 0.864 433 HD2 TYR 55 HD2 TYR 55 7.705 8.028 -0.728 434 HE1 TYR 55 HE1 TYR 55 8.245 12.900 -1.129 435 HE2 TYR 55 HE2 TYR 55 6.867 9.195 -2.727 436 HH TYR 55 HH TYR 55 6.140 11.466 -3.375 437 H PHE 56 H PHE 56 7.523 7.015 2.920 438 HA PHE 56 HA PHE 56 4.828 7.441 2.050 439 HB2 PHE 56 HB2 PHE 56 6.367 5.052 2.998 440 HB3 PHE 56 HB3 PHE 56 4.618 4.968 2.841 441 HD1 PHE 56 HD1 PHE 56 3.698 5.865 0.529 442 HD2 PHE 56 HD2 PHE 56 7.647 4.434 1.200 443 HE1 PHE 56 HE1 PHE 56 3.922 5.379 -1.872 444 HE2 PHE 56 HE2 PHE 56 7.882 3.950 -1.201 445 HZ PHE 56 HZ PHE 56 6.019 4.422 -2.740 446 H ASN 57 H ASN 57 6.402 7.184 5.164 447 HA ASN 57 HA ASN 57 4.029 6.592 6.635 448 HB2 ASN 57 HB2 ASN 57 6.295 6.077 7.477 449 HB3 ASN 57 HB3 ASN 57 6.618 7.800 7.622 450 HD21 ASN 57 HD21 ASN 57 3.591 6.187 8.379 451 HD22 ASN 57 HD22 ASN 57 3.628 6.546 10.071 452 H ARG 58 H ARG 58 5.733 9.588 5.829 453 HA ARG 58 HA ARG 58 4.066 11.146 7.592 454 HB2 ARG 58 HB2 ARG 58 6.471 11.685 7.112 455 HB3 ARG 58 HB3 ARG 58 5.982 12.160 5.490 456 HG2 ARG 58 HG2 ARG 58 4.572 13.902 6.384 457 HG3 ARG 58 HG3 ARG 58 4.942 13.392 8.032 458 HD2 ARG 58 HD2 ARG 58 7.337 13.895 7.576 459 HD3 ARG 58 HD3 ARG 58 6.856 14.543 6.008 460 HE ARG 58 HE ARG 58 5.332 15.802 7.991 461 HH11 ARG 58 HH11 ARG 58 8.663 15.653 6.895 462 HH12 ARG 58 HH12 ARG 58 9.037 17.268 7.430 463 HH21 ARG 58 HH21 ARG 58 5.837 17.903 8.712 464 HH22 ARG 58 HH22 ARG 58 7.444 18.523 8.496 465 H HIS 59 H HIS 59 4.220 10.497 4.134 466 HA HIS 59 HA HIS 59 2.355 12.611 3.513 467 HB2 HIS 59 HB2 HIS 59 3.688 10.484 1.856 468 HB3 HIS 59 HB3 HIS 59 2.449 11.538 1.188 469 HD1 HIS 59 HD1 HIS 59 3.252 13.662 0.214 470 HD2 HIS 59 HD2 HIS 59 6.004 12.024 2.871 471 HE1 HIS 59 HE1 HIS 59 5.302 15.116 0.059 472 HE2 HIS 59 HE2 HIS 59 7.008 14.006 1.545 473 H PHE 60 H PHE 60 2.189 9.111 3.926 474 HA PHE 60 HA PHE 60 -0.717 9.292 3.486 475 HB2 PHE 60 HB2 PHE 60 1.102 7.073 2.529 476 HB3 PHE 60 HB3 PHE 60 -0.654 7.046 2.445 477 HD1 PHE 60 HD1 PHE 60 -1.772 8.960 1.116 478 HD2 PHE 60 HD2 PHE 60 2.335 7.900 0.754 479 HE1 PHE 60 HE1 PHE 60 -1.682 10.064 -1.082 480 HE2 PHE 60 HE2 PHE 60 2.429 9.000 -1.443 481 HZ PHE 60 HZ PHE 60 0.420 10.085 -2.363 482 H VAL 61 H VAL 61 -1.936 7.527 4.493 483 HA VAL 61 HA VAL 61 -0.825 6.796 7.075 484 HB VAL 61 HB VAL 61 -3.535 6.103 5.917 485 HG11 VAL 61 HG11 VAL 61 -2.890 4.630 7.731 486 HG12 VAL 61 HG12 VAL 61 -2.497 6.016 8.747 487 HG13 VAL 61 HG13 VAL 61 -4.168 5.723 8.264 488 HG21 VAL 61 HG21 VAL 61 -4.392 7.952 7.302 489 HG22 VAL 61 HG22 VAL 61 -2.733 8.393 7.710 490 HG23 VAL 61 HG23 VAL 61 -3.292 8.510 6.041 491 H ASN 62 H ASN 62 0.190 4.918 7.431 492 HA ASN 62 HA ASN 62 0.414 3.037 5.259 493 HB2 ASN 62 HB2 ASN 62 1.662 2.986 8.015 494 HB3 ASN 62 HB3 ASN 62 2.085 1.921 6.678 495 HD21 ASN 62 HD21 ASN 62 1.776 4.123 4.729 496 HD22 ASN 62 HD22 ASN 62 3.182 5.107 4.908 497 H LEU 63 H LEU 63 -1.325 1.816 4.981 498 HA LEU 63 HA LEU 63 -2.381 0.347 7.309 499 HB2 LEU 63 HB2 LEU 63 -4.036 1.908 6.524 500 HB3 LEU 63 HB3 LEU 63 -3.793 1.409 4.861 501 HG LEU 63 HG LEU 63 -4.708 -0.848 5.490 502 HD11 LEU 63 HD11 LEU 63 -4.305 -0.748 7.888 503 HD12 LEU 63 HD12 LEU 63 -5.449 0.586 8.037 504 HD13 LEU 63 HD13 LEU 63 -6.017 -1.012 7.551 505 HD21 LEU 63 HD21 LEU 63 -7.043 -0.088 5.514 506 HD22 LEU 63 HD22 LEU 63 -6.496 1.549 5.877 507 HD23 LEU 63 HD23 LEU 63 -6.069 0.797 4.340 508 H LYS 64 H LYS 64 -2.123 -1.807 7.196 509 HA LYS 64 HA LYS 64 -1.578 -2.977 4.553 510 HB2 LYS 64 HB2 LYS 64 -0.642 -4.899 5.745 511 HB3 LYS 64 HB3 LYS 64 0.153 -3.410 6.232 512 HG2 LYS 64 HG2 LYS 64 -1.051 -3.376 8.306 513 HG3 LYS 64 HG3 LYS 64 -2.040 -4.748 7.802 514 HD2 LYS 64 HD2 LYS 64 0.952 -4.813 8.200 515 HD3 LYS 64 HD3 LYS 64 -0.240 -5.400 9.361 516 HE2 LYS 64 HE2 LYS 64 0.052 -6.428 6.540 517 HE3 LYS 64 HE3 LYS 64 0.777 -7.187 7.957 518 HZ1 LYS 64 HZ1 LYS 64 -1.372 -8.179 7.235 519 HZ2 LYS 64 HZ2 LYS 64 -1.362 -7.656 8.846 520 HZ3 LYS 64 HZ3 LYS 64 -2.148 -6.734 7.659 521 H MET 65 H MET 65 -2.817 -4.640 3.764 522 HA MET 65 HA MET 65 -5.038 -5.582 5.431 523 HB2 MET 65 HB2 MET 65 -5.263 -4.322 2.706 524 HB3 MET 65 HB3 MET 65 -6.475 -5.453 3.292 525 HG2 MET 65 HG2 MET 65 -5.696 -2.862 4.614 526 HG3 MET 65 HG3 MET 65 -7.139 -3.134 3.640 527 HE1 MET 65 HE1 MET 65 -7.404 -1.881 6.491 528 HE2 MET 65 HE2 MET 65 -8.786 -2.303 5.481 529 HE3 MET 65 HE3 MET 65 -8.733 -2.827 7.166 530 H ASP 66 H ASP 66 -5.261 -7.716 5.349 531 HA ASP 66 HA ASP 66 -3.623 -9.284 3.609 532 HB2 ASP 66 HB2 ASP 66 -4.646 -9.906 5.993 533 HB3 ASP 66 HB3 ASP 66 -5.953 -10.510 4.970 534 H MET 67 H MET 67 -4.453 -10.874 2.150 535 HA MET 67 HA MET 67 -6.603 -9.747 0.544 536 HB2 MET 67 HB2 MET 67 -4.506 -11.825 0.030 537 HB3 MET 67 HB3 MET 67 -5.692 -11.318 -1.178 538 HG2 MET 67 HG2 MET 67 -4.819 -8.988 -0.906 539 HG3 MET 67 HG3 MET 67 -3.541 -9.652 0.108 540 HE1 MET 67 HE1 MET 67 -4.053 -10.402 -4.405 541 HE2 MET 67 HE2 MET 67 -5.209 -11.019 -3.222 542 HE3 MET 67 HE3 MET 67 -5.020 -9.278 -3.442 543 H GLU 68 H GLU 68 -6.108 -12.215 2.795 544 HA GLU 68 HA GLU 68 -8.459 -13.675 1.785 545 HB2 GLU 68 HB2 GLU 68 -6.376 -15.015 1.865 546 HB3 GLU 68 HB3 GLU 68 -6.257 -14.698 3.590 547 HG2 GLU 68 HG2 GLU 68 -8.350 -15.882 3.964 548 HG3 GLU 68 HG3 GLU 68 -8.497 -16.179 2.231 549 H LYS 69 H LYS 69 -6.853 -12.417 4.676 550 HA LYS 69 HA LYS 69 -9.092 -13.103 6.366 551 HB2 LYS 69 HB2 LYS 69 -6.660 -13.130 7.082 552 HB3 LYS 69 HB3 LYS 69 -6.718 -11.372 7.063 553 HG2 LYS 69 HG2 LYS 69 -7.047 -12.065 9.304 554 HG3 LYS 69 HG3 LYS 69 -8.609 -11.506 8.699 555 HD2 LYS 69 HD2 LYS 69 -9.211 -13.860 8.219 556 HD3 LYS 69 HD3 LYS 69 -7.690 -14.368 8.951 557 HE2 LYS 69 HE2 LYS 69 -8.409 -13.272 11.066 558 HE3 LYS 69 HE3 LYS 69 -9.966 -12.932 10.311 559 HZ1 LYS 69 HZ1 LYS 69 -10.209 -14.909 11.565 560 HZ2 LYS 69 HZ2 LYS 69 -10.158 -15.388 9.938 561 HZ3 LYS 69 HZ3 LYS 69 -8.796 -15.586 10.928 562 H GLY 70 H GLY 70 -10.790 -11.833 6.816 563 HA2 GLY 70 HA2 GLY 70 -11.864 -9.838 7.406 564 HA3 GLY 70 HA3 GLY 70 -10.479 -8.936 6.811 565 H GLU 71 H GLU 71 -11.753 -7.497 5.645 566 HA GLU 71 HA GLU 71 -13.493 -8.525 3.568 567 HB2 GLU 71 HB2 GLU 71 -13.811 -6.118 2.980 568 HB3 GLU 71 HB3 GLU 71 -14.242 -6.513 4.637 569 HG2 GLU 71 HG2 GLU 71 -11.534 -5.426 3.982 570 HG3 GLU 71 HG3 GLU 71 -12.923 -4.355 4.156 571 H GLY 72 H GLY 72 -10.292 -8.401 3.839 572 HA2 GLY 72 HA2 GLY 72 -9.310 -7.154 1.544 573 HA3 GLY 72 HA3 GLY 72 -8.559 -8.527 2.345 574 H VAL 73 H VAL 73 -10.856 -10.267 1.940 575 HA VAL 73 HA VAL 73 -10.214 -11.416 -0.535 576 HB VAL 73 HB VAL 73 -11.192 -12.748 1.234 577 HG11 VAL 73 HG11 VAL 73 -12.629 -11.078 2.259 578 HG12 VAL 73 HG12 VAL 73 -13.698 -11.116 0.857 579 HG13 VAL 73 HG13 VAL 73 -13.544 -12.540 1.888 580 HG21 VAL 73 HG21 VAL 73 -12.943 -13.941 -0.018 581 HG22 VAL 73 HG22 VAL 73 -13.019 -12.599 -1.161 582 HG23 VAL 73 HG23 VAL 73 -11.544 -13.558 -1.021 583 H GLU 74 H GLU 74 -12.631 -9.041 0.372 584 HA GLU 74 HA GLU 74 -14.196 -9.196 -1.989 585 HB2 GLU 74 HB2 GLU 74 -14.878 -8.151 0.213 586 HB3 GLU 74 HB3 GLU 74 -13.849 -6.787 -0.201 587 HG2 GLU 74 HG2 GLU 74 -16.132 -6.272 -0.735 588 HG3 GLU 74 HG3 GLU 74 -15.197 -6.413 -2.223 589 H LEU 75 H LEU 75 -11.606 -6.983 -0.953 590 HA LEU 75 HA LEU 75 -11.538 -5.500 -3.359 591 HB2 LEU 75 HB2 LEU 75 -9.476 -5.885 -1.195 592 HB3 LEU 75 HB3 LEU 75 -9.231 -4.823 -2.565 593 HG LEU 75 HG LEU 75 -11.334 -3.594 -1.822 594 HD11 LEU 75 HD11 LEU 75 -10.830 -5.149 0.705 595 HD12 LEU 75 HD12 LEU 75 -11.942 -3.790 0.529 596 HD13 LEU 75 HD13 LEU 75 -12.240 -5.294 -0.345 597 HD21 LEU 75 HD21 LEU 75 -9.110 -2.677 -1.526 598 HD22 LEU 75 HD22 LEU 75 -10.113 -2.307 -0.123 599 HD23 LEU 75 HD23 LEU 75 -8.908 -3.592 -0.033 600 H ARG 76 H ARG 76 -9.884 -8.384 -2.269 601 HA ARG 76 HA ARG 76 -7.938 -8.687 -4.223 602 HB2 ARG 76 HB2 ARG 76 -8.178 -10.114 -2.224 603 HB3 ARG 76 HB3 ARG 76 -9.624 -10.832 -2.912 604 HG2 ARG 76 HG2 ARG 76 -8.317 -11.774 -4.728 605 HG3 ARG 76 HG3 ARG 76 -6.858 -11.015 -4.087 606 HD2 ARG 76 HD2 ARG 76 -6.865 -13.305 -3.406 607 HD3 ARG 76 HD3 ARG 76 -7.188 -12.312 -1.987 608 HE ARG 76 HE ARG 76 -9.617 -13.147 -3.197 609 HH11 ARG 76 HH11 ARG 76 -6.990 -14.303 -1.173 610 HH12 ARG 76 HH12 ARG 76 -7.925 -15.594 -0.484 611 HH21 ARG 76 HH21 ARG 76 -10.843 -14.819 -2.281 612 HH22 ARG 76 HH22 ARG 76 -10.134 -15.870 -1.091 613 H LYS 77 H LYS 77 -11.294 -9.760 -4.222 614 HA LYS 77 HA LYS 77 -11.203 -10.794 -6.889 615 HB2 LYS 77 HB2 LYS 77 -12.705 -11.794 -5.328 616 HB3 LYS 77 HB3 LYS 77 -13.420 -10.243 -4.921 617 HG2 LYS 77 HG2 LYS 77 -14.386 -10.111 -7.168 618 HG3 LYS 77 HG3 LYS 77 -13.688 -11.688 -7.551 619 HD2 LYS 77 HD2 LYS 77 -16.066 -11.825 -6.890 620 HD3 LYS 77 HD3 LYS 77 -15.003 -12.733 -5.811 621 HE2 LYS 77 HE2 LYS 77 -16.560 -11.561 -4.442 622 HE3 LYS 77 HE3 LYS 77 -15.007 -10.744 -4.283 623 HZ1 LYS 77 HZ1 LYS 77 -16.648 -9.084 -4.521 624 HZ2 LYS 77 HZ2 LYS 77 -15.840 -9.150 -6.016 625 HZ3 LYS 77 HZ3 LYS 77 -17.366 -9.867 -5.849 626 H LYS 78 H LYS 78 -12.127 -7.783 -5.375 627 HA LYS 78 HA LYS 78 -13.731 -6.786 -7.473 628 HB2 LYS 78 HB2 LYS 78 -13.749 -5.993 -5.098 629 HB3 LYS 78 HB3 LYS 78 -12.219 -5.181 -5.409 630 HG2 LYS 78 HG2 LYS 78 -13.249 -3.729 -7.010 631 HG3 LYS 78 HG3 LYS 78 -14.766 -4.621 -6.914 632 HD2 LYS 78 HD2 LYS 78 -14.798 -4.027 -4.449 633 HD3 LYS 78 HD3 LYS 78 -13.482 -2.906 -4.801 634 HE2 LYS 78 HE2 LYS 78 -16.199 -2.871 -6.111 635 HE3 LYS 78 HE3 LYS 78 -15.691 -1.814 -4.795 636 HZ1 LYS 78 HZ1 LYS 78 -15.530 -0.763 -6.992 637 HZ2 LYS 78 HZ2 LYS 78 -14.031 -0.848 -6.206 638 HZ3 LYS 78 HZ3 LYS 78 -14.390 -1.926 -7.468 639 H TYR 79 H TYR 79 -10.300 -6.402 -6.720 640 HA TYR 79 HA TYR 79 -9.938 -4.566 -8.944 641 HB2 TYR 79 HB2 TYR 79 -7.905 -5.746 -7.044 642 HB3 TYR 79 HB3 TYR 79 -7.612 -4.444 -8.194 643 HD1 TYR 79 HD1 TYR 79 -10.236 -2.963 -7.762 644 HD2 TYR 79 HD2 TYR 79 -7.416 -4.590 -5.030 645 HE1 TYR 79 HE1 TYR 79 -10.953 -1.335 -6.066 646 HE2 TYR 79 HE2 TYR 79 -8.120 -2.967 -3.327 647 HH TYR 79 HH TYR 79 -9.194 -0.812 -3.180 648 H GLY 80 H GLY 80 -10.049 -7.886 -8.559 649 HA2 GLY 80 HA2 GLY 80 -9.519 -9.644 -9.939 650 HA3 GLY 80 HA3 GLY 80 -9.292 -8.449 -11.207 651 H VAL 81 H VAL 81 -7.665 -9.622 -8.283 652 HA VAL 81 HA VAL 81 -5.117 -8.669 -9.115 653 HB VAL 81 HB VAL 81 -4.256 -9.813 -7.144 654 HG11 VAL 81 HG11 VAL 81 -5.596 -8.656 -5.441 655 HG12 VAL 81 HG12 VAL 81 -5.281 -7.638 -6.846 656 HG13 VAL 81 HG13 VAL 81 -6.862 -8.391 -6.641 657 HG21 VAL 81 HG21 VAL 81 -7.035 -10.950 -6.867 658 HG22 VAL 81 HG22 VAL 81 -5.573 -11.858 -7.257 659 HG23 VAL 81 HG23 VAL 81 -5.745 -11.097 -5.675 660 H HIS 82 H HIS 82 -3.496 -9.673 -10.142 661 HA HIS 82 HA HIS 82 -3.556 -12.608 -10.334 662 HB2 HIS 82 HB2 HIS 82 -3.012 -10.660 -12.577 663 HB3 HIS 82 HB3 HIS 82 -2.468 -12.332 -12.631 664 HD1 HIS 82 HD1 HIS 82 -4.247 -14.165 -12.983 665 HD2 HIS 82 HD2 HIS 82 -5.784 -10.296 -12.883 666 HE1 HIS 82 HE1 HIS 82 -6.614 -14.349 -13.809 667 HE2 HIS 82 HE2 HIS 82 -7.514 -11.994 -13.789 668 H ALA 83 H ALA 83 -2.202 -10.442 -8.726 669 HA ALA 83 HA ALA 83 0.522 -11.498 -9.020 670 HB1 ALA 83 HB1 ALA 83 -0.179 -8.610 -8.473 671 HB2 ALA 83 HB2 ALA 83 1.447 -9.297 -8.491 672 HB3 ALA 83 HB3 ALA 83 0.496 -9.246 -9.975 673 H TYR 84 H TYR 84 1.800 -11.118 -6.965 674 HA TYR 84 HA TYR 84 0.070 -11.722 -4.693 675 HB2 TYR 84 HB2 TYR 84 3.073 -11.881 -4.981 676 HB3 TYR 84 HB3 TYR 84 2.189 -12.309 -3.521 677 HD1 TYR 84 HD1 TYR 84 0.309 -14.126 -3.838 678 HD2 TYR 84 HD2 TYR 84 3.538 -13.542 -6.547 679 HE1 TYR 84 HE1 TYR 84 -0.010 -16.403 -4.697 680 HE2 TYR 84 HE2 TYR 84 3.223 -15.819 -7.415 681 HH TYR 84 HH TYR 84 0.467 -17.675 -6.770 682 HA PRO 85 HA PRO 85 2.042 -7.759 -3.078 683 HB2 PRO 85 HB2 PRO 85 3.986 -6.552 -4.715 684 HB3 PRO 85 HB3 PRO 85 4.286 -7.499 -3.259 685 HG2 PRO 85 HG2 PRO 85 4.987 -8.197 -5.892 686 HG3 PRO 85 HG3 PRO 85 5.037 -9.254 -4.473 687 HD2 PRO 85 HD2 PRO 85 2.985 -9.047 -6.616 688 HD3 PRO 85 HD3 PRO 85 3.484 -10.457 -5.658 689 H THR 86 H THR 86 0.613 -6.135 -3.245 690 HA THR 86 HA THR 86 0.273 -4.772 -5.829 691 HB THR 86 HB THR 86 -2.011 -5.786 -4.121 692 HG1 THR 86 HG1 THR 86 -0.828 -7.351 -5.485 693 HG21 THR 86 HG21 THR 86 -3.442 -4.964 -5.926 694 HG22 THR 86 HG22 THR 86 -2.503 -3.652 -5.212 695 HG23 THR 86 HG23 THR 86 -2.025 -4.333 -6.766 696 H LEU 87 H LEU 87 0.318 -2.608 -5.553 697 HA LEU 87 HA LEU 87 0.007 -1.558 -2.837 698 HB2 LEU 87 HB2 LEU 87 1.122 -0.287 -5.337 699 HB3 LEU 87 HB3 LEU 87 0.909 0.566 -3.822 700 HG LEU 87 HG LEU 87 3.188 -0.005 -3.914 701 HD11 LEU 87 HD11 LEU 87 2.222 -0.429 -1.737 702 HD12 LEU 87 HD12 LEU 87 1.815 -2.078 -2.213 703 HD13 LEU 87 HD13 LEU 87 3.505 -1.591 -2.076 704 HD21 LEU 87 HD21 LEU 87 3.084 -1.634 -5.722 705 HD22 LEU 87 HD22 LEU 87 4.033 -2.244 -4.366 706 HD23 LEU 87 HD23 LEU 87 2.387 -2.822 -4.620 707 H LEU 88 H LEU 88 -1.880 -0.779 -2.261 708 HA LEU 88 HA LEU 88 -3.740 0.086 -4.368 709 HB2 LEU 88 HB2 LEU 88 -4.296 -0.829 -1.546 710 HB3 LEU 88 HB3 LEU 88 -5.512 -0.307 -2.696 711 HG LEU 88 HG LEU 88 -3.733 -2.727 -3.008 712 HD11 LEU 88 HD11 LEU 88 -5.817 -3.987 -2.685 713 HD12 LEU 88 HD12 LEU 88 -5.386 -3.036 -1.264 714 HD13 LEU 88 HD13 LEU 88 -6.663 -2.476 -2.343 715 HD21 LEU 88 HD21 LEU 88 -5.165 -3.240 -4.931 716 HD22 LEU 88 HD22 LEU 88 -6.005 -1.704 -4.712 717 HD23 LEU 88 HD23 LEU 88 -4.298 -1.721 -5.155 718 H PHE 89 H PHE 89 -4.497 2.112 -4.409 719 HA PHE 89 HA PHE 89 -3.729 3.891 -2.193 720 HB2 PHE 89 HB2 PHE 89 -4.102 4.606 -5.113 721 HB3 PHE 89 HB3 PHE 89 -3.611 5.708 -3.831 722 HD1 PHE 89 HD1 PHE 89 -2.567 2.839 -5.891 723 HD2 PHE 89 HD2 PHE 89 -1.363 5.783 -3.061 724 HE1 PHE 89 HE1 PHE 89 -0.207 2.304 -6.337 725 HE2 PHE 89 HE2 PHE 89 0.998 5.247 -3.499 726 HZ PHE 89 HZ PHE 89 1.577 3.505 -5.141 727 H ILE 90 H ILE 90 -5.509 4.151 -0.983 728 HA ILE 90 HA ILE 90 -8.058 4.678 -2.378 729 HB ILE 90 HB ILE 90 -7.650 3.675 0.449 730 HG12 ILE 90 HG12 ILE 90 -8.685 2.230 -2.005 731 HG13 ILE 90 HG13 ILE 90 -7.104 1.987 -1.271 732 HG21 ILE 90 HG21 ILE 90 -10.169 4.135 -1.145 733 HG22 ILE 90 HG22 ILE 90 -10.098 3.342 0.428 734 HG23 ILE 90 HG23 ILE 90 -9.641 5.039 0.274 735 HD11 ILE 90 HD11 ILE 90 -9.749 1.428 0.049 736 HD12 ILE 90 HD12 ILE 90 -8.675 0.226 -0.663 737 HD13 ILE 90 HD13 ILE 90 -8.156 1.145 0.749 738 H ASN 91 H ASN 91 -8.789 6.708 -2.258 739 HA ASN 91 HA ASN 91 -7.337 8.572 -0.578 740 HB2 ASN 91 HB2 ASN 91 -8.335 10.312 -1.846 741 HB3 ASN 91 HB3 ASN 91 -7.947 9.039 -2.993 742 HD21 ASN 91 HD21 ASN 91 -9.844 11.210 -3.159 743 HD22 ASN 91 HD22 ASN 91 -11.392 10.483 -3.446 744 H SER 92 H SER 92 -8.894 10.440 0.320 745 HA SER 92 HA SER 92 -10.123 9.268 2.566 746 HB2 SER 92 HB2 SER 92 -10.572 12.089 1.583 747 HB3 SER 92 HB3 SER 92 -10.687 11.496 3.240 748 HG SER 92 HG SER 92 -8.371 10.950 2.967 749 H SER 93 H SER 93 -11.347 10.014 -0.555 750 HA SER 93 HA SER 93 -14.111 10.165 0.216 751 HB2 SER 93 HB2 SER 93 -13.027 9.736 -2.568 752 HB3 SER 93 HB3 SER 93 -14.565 10.465 -2.103 753 HG SER 93 HG SER 93 -13.594 12.318 -1.725 754 H GLY 94 H GLY 94 -12.014 7.644 0.114 755 HA2 GLY 94 HA2 GLY 94 -12.385 5.375 0.294 756 HA3 GLY 94 HA3 GLY 94 -14.110 5.693 0.175 757 H GLU 95 H GLU 95 -11.695 6.670 -2.179 758 HA GLU 95 HA GLU 95 -12.889 4.764 -4.071 759 HB2 GLU 95 HB2 GLU 95 -13.697 7.062 -4.476 760 HB3 GLU 95 HB3 GLU 95 -12.034 7.607 -4.646 761 HG2 GLU 95 HG2 GLU 95 -13.114 7.323 -6.809 762 HG3 GLU 95 HG3 GLU 95 -11.754 6.217 -6.616 763 H VAL 96 H VAL 96 -11.548 3.956 -5.688 764 HA VAL 96 HA VAL 96 -8.757 3.740 -4.991 765 HB VAL 96 HB VAL 96 -10.225 2.668 -7.416 766 HG11 VAL 96 HG11 VAL 96 -7.556 1.901 -6.234 767 HG12 VAL 96 HG12 VAL 96 -8.373 1.046 -7.544 768 HG13 VAL 96 HG13 VAL 96 -7.829 2.711 -7.778 769 HG21 VAL 96 HG21 VAL 96 -11.210 1.847 -5.351 770 HG22 VAL 96 HG22 VAL 96 -10.351 0.556 -6.191 771 HG23 VAL 96 HG23 VAL 96 -9.623 1.331 -4.783 772 H VAL 97 H VAL 97 -7.829 5.732 -5.279 773 HA VAL 97 HA VAL 97 -8.296 7.343 -7.586 774 HB VAL 97 HB VAL 97 -7.676 8.357 -5.448 775 HG11 VAL 97 HG11 VAL 97 -5.369 8.251 -4.619 776 HG12 VAL 97 HG12 VAL 97 -6.172 6.680 -4.579 777 HG13 VAL 97 HG13 VAL 97 -4.999 7.039 -5.846 778 HG21 VAL 97 HG21 VAL 97 -7.207 9.581 -7.507 779 HG22 VAL 97 HG22 VAL 97 -6.019 9.948 -6.256 780 HG23 VAL 97 HG23 VAL 97 -5.601 8.856 -7.575 781 H TYR 98 H TYR 98 -5.879 4.988 -6.652 782 HA TYR 98 HA TYR 98 -5.085 4.720 -9.413 783 HB2 TYR 98 HB2 TYR 98 -3.605 6.523 -8.343 784 HB3 TYR 98 HB3 TYR 98 -2.932 5.229 -7.358 785 HD1 TYR 98 HD1 TYR 98 -3.432 6.320 -10.868 786 HD2 TYR 98 HD2 TYR 98 -1.202 3.869 -8.196 787 HE1 TYR 98 HE1 TYR 98 -1.855 5.791 -12.678 788 HE2 TYR 98 HE2 TYR 98 0.381 3.333 -10.000 789 HH TYR 98 HH TYR 98 0.442 5.032 -12.965 790 H ARG 99 H ARG 99 -4.194 2.701 -9.846 791 HA ARG 99 HA ARG 99 -3.946 0.880 -7.545 792 HB2 ARG 99 HB2 ARG 99 -4.873 -0.932 -8.975 793 HB3 ARG 99 HB3 ARG 99 -6.035 0.352 -8.665 794 HG2 ARG 99 HG2 ARG 99 -5.537 1.309 -10.867 795 HG3 ARG 99 HG3 ARG 99 -4.423 -0.023 -11.171 796 HD2 ARG 99 HD2 ARG 99 -7.339 -0.418 -10.533 797 HD3 ARG 99 HD3 ARG 99 -6.726 -0.253 -12.178 798 HE ARG 99 HE ARG 99 -5.974 -2.441 -10.335 799 HH11 ARG 99 HH11 ARG 99 -6.560 -1.170 -13.545 800 HH12 ARG 99 HH12 ARG 99 -6.391 -2.711 -14.335 801 HH21 ARG 99 HH21 ARG 99 -5.719 -4.487 -11.368 802 HH22 ARG 99 HH22 ARG 99 -5.914 -4.596 -13.096 803 H LEU 100 H LEU 100 -2.087 -0.182 -7.455 804 HA LEU 100 HA LEU 100 -0.379 -0.191 -9.854 805 HB2 LEU 100 HB2 LEU 100 0.409 1.375 -8.113 806 HB3 LEU 100 HB3 LEU 100 0.502 0.040 -6.975 807 HG LEU 100 HG LEU 100 2.241 -1.019 -8.365 808 HD11 LEU 100 HD11 LEU 100 3.273 0.241 -10.182 809 HD12 LEU 100 HD12 LEU 100 1.585 -0.128 -10.532 810 HD13 LEU 100 HD13 LEU 100 2.044 1.495 -10.016 811 HD21 LEU 100 HD21 LEU 100 2.887 0.440 -6.534 812 HD22 LEU 100 HD22 LEU 100 4.022 0.584 -7.877 813 HD23 LEU 100 HD23 LEU 100 2.813 1.840 -7.604 814 H VAL 101 H VAL 101 -0.250 -2.166 -10.621 815 HA VAL 101 HA VAL 101 -0.497 -4.463 -8.816 816 HB VAL 101 HB VAL 101 -0.404 -4.381 -11.844 817 HG11 VAL 101 HG11 VAL 101 -1.201 -6.695 -11.732 818 HG12 VAL 101 HG12 VAL 101 0.374 -6.510 -10.962 819 HG13 VAL 101 HG13 VAL 101 -1.079 -6.649 -9.973 820 HG21 VAL 101 HG21 VAL 101 -2.397 -3.288 -11.004 821 HG22 VAL 101 HG22 VAL 101 -2.820 -4.844 -11.719 822 HG23 VAL 101 HG23 VAL 101 -2.746 -4.670 -9.965 823 H GLY 102 H GLY 102 1.255 -5.439 -8.071 824 HA2 GLY 102 HA2 GLY 102 3.346 -6.527 -8.308 825 HA3 GLY 102 HA3 GLY 102 3.660 -5.552 -9.737 826 H ALA 103 H ALA 103 5.520 -5.884 -7.664 827 HA ALA 103 HA ALA 103 5.638 -3.128 -6.650 828 HB1 ALA 103 HB1 ALA 103 6.547 -3.923 -4.528 829 HB2 ALA 103 HB2 ALA 103 4.933 -4.576 -4.807 830 HB3 ALA 103 HB3 ALA 103 6.351 -5.595 -5.057 831 H GLU 104 H GLU 104 7.593 -2.199 -6.651 832 HA GLU 104 HA GLU 104 9.685 -3.657 -8.115 833 HB2 GLU 104 HB2 GLU 104 9.435 -0.666 -8.053 834 HB3 GLU 104 HB3 GLU 104 10.192 -1.682 -9.268 835 HG2 GLU 104 HG2 GLU 104 7.232 -1.463 -8.783 836 HG3 GLU 104 HG3 GLU 104 8.121 -0.641 -10.062 837 H ASP 105 H ASP 105 11.856 -2.215 -7.783 838 HA ASP 105 HA ASP 105 12.708 -2.463 -5.118 839 HB2 ASP 105 HB2 ASP 105 13.852 -0.517 -7.137 840 HB3 ASP 105 HB3 ASP 105 14.677 -1.226 -5.755 841 H ALA 106 H ALA 106 13.197 -0.762 -3.554 842 HA ALA 106 HA ALA 106 11.101 0.879 -2.942 843 HB1 ALA 106 HB1 ALA 106 12.538 2.020 -1.360 844 HB2 ALA 106 HB2 ALA 106 12.854 0.286 -1.354 845 HB3 ALA 106 HB3 ALA 106 13.968 1.382 -2.166 846 HA PRO 107 HA PRO 107 13.163 4.772 -5.020 847 HB2 PRO 107 HB2 PRO 107 15.000 3.566 -6.992 848 HB3 PRO 107 HB3 PRO 107 15.250 4.951 -5.925 849 HG2 PRO 107 HG2 PRO 107 16.484 2.624 -5.478 850 HG3 PRO 107 HG3 PRO 107 15.895 3.626 -4.138 851 HD2 PRO 107 HD2 PRO 107 14.671 1.171 -5.348 852 HD3 PRO 107 HD3 PRO 107 14.833 1.622 -3.641 853 H GLU 108 H GLU 108 12.963 1.819 -6.935 854 HA GLU 108 HA GLU 108 11.945 2.960 -9.310 855 HB2 GLU 108 HB2 GLU 108 12.751 0.433 -8.399 856 HB3 GLU 108 HB3 GLU 108 11.068 0.235 -8.859 857 HG2 GLU 108 HG2 GLU 108 13.119 1.474 -10.667 858 HG3 GLU 108 HG3 GLU 108 12.786 -0.255 -10.632 859 H LEU 109 H LEU 109 10.457 1.733 -6.391 860 HA LEU 109 HA LEU 109 7.763 1.779 -7.276 861 HB2 LEU 109 HB2 LEU 109 8.762 0.623 -5.228 862 HB3 LEU 109 HB3 LEU 109 8.719 2.187 -4.450 863 HG LEU 109 HG LEU 109 6.254 2.246 -4.802 864 HD11 LEU 109 HD11 LEU 109 5.098 0.194 -5.401 865 HD12 LEU 109 HD12 LEU 109 6.164 0.710 -6.710 866 HD13 LEU 109 HD13 LEU 109 6.643 -0.619 -5.654 867 HD21 LEU 109 HD21 LEU 109 5.737 0.632 -3.035 868 HD22 LEU 109 HD22 LEU 109 7.320 -0.115 -3.257 869 HD23 LEU 109 HD23 LEU 109 7.203 1.544 -2.670 870 H LEU 110 H LEU 110 9.814 4.061 -5.552 871 HA LEU 110 HA LEU 110 7.967 6.042 -4.967 872 HB2 LEU 110 HB2 LEU 110 10.880 6.348 -5.691 873 HB3 LEU 110 HB3 LEU 110 9.897 7.609 -4.970 874 HG LEU 110 HG LEU 110 10.571 4.962 -3.685 875 HD11 LEU 110 HD11 LEU 110 11.549 7.753 -3.115 876 HD12 LEU 110 HD12 LEU 110 11.911 6.322 -2.150 877 HD13 LEU 110 HD13 LEU 110 12.494 6.437 -3.811 878 HD21 LEU 110 HD21 LEU 110 8.383 5.763 -2.993 879 HD22 LEU 110 HD22 LEU 110 9.549 5.939 -1.681 880 HD23 LEU 110 HD23 LEU 110 9.064 7.348 -2.625 881 H LYS 111 H LYS 111 9.941 5.711 -7.921 882 HA LYS 111 HA LYS 111 8.921 8.052 -9.142 883 HB2 LYS 111 HB2 LYS 111 9.684 6.784 -11.299 884 HB3 LYS 111 HB3 LYS 111 10.867 7.426 -10.174 885 HG2 LYS 111 HG2 LYS 111 11.072 5.180 -9.179 886 HG3 LYS 111 HG3 LYS 111 9.942 4.573 -10.387 887 HD2 LYS 111 HD2 LYS 111 12.426 6.026 -11.215 888 HD3 LYS 111 HD3 LYS 111 12.489 4.318 -10.787 889 HE2 LYS 111 HE2 LYS 111 12.242 4.469 -13.150 890 HE3 LYS 111 HE3 LYS 111 10.714 3.901 -12.485 891 HZ1 LYS 111 HZ1 LYS 111 11.275 6.709 -13.277 892 HZ2 LYS 111 HZ2 LYS 111 10.443 5.576 -14.226 893 HZ3 LYS 111 HZ3 LYS 111 9.784 6.082 -12.756 894 H LYS 112 H LYS 112 7.967 4.655 -9.380 895 HA LYS 112 HA LYS 112 5.934 4.933 -11.264 896 HB2 LYS 112 HB2 LYS 112 6.286 3.027 -8.970 897 HB3 LYS 112 HB3 LYS 112 4.823 2.994 -9.942 898 HG2 LYS 112 HG2 LYS 112 6.428 2.797 -11.953 899 HG3 LYS 112 HG3 LYS 112 7.628 2.349 -10.736 900 HD2 LYS 112 HD2 LYS 112 6.446 0.444 -10.088 901 HD3 LYS 112 HD3 LYS 112 4.956 0.999 -10.853 902 HE2 LYS 112 HE2 LYS 112 6.064 -0.833 -12.094 903 HE3 LYS 112 HE3 LYS 112 5.889 0.644 -13.042 904 HZ1 LYS 112 HZ1 LYS 112 8.168 1.131 -12.793 905 HZ2 LYS 112 HZ2 LYS 112 8.389 -0.049 -11.600 906 HZ3 LYS 112 HZ3 LYS 112 8.095 -0.508 -13.205 907 H VAL 113 H VAL 113 5.756 5.317 -7.728 908 HA VAL 113 HA VAL 113 2.985 5.912 -7.665 909 HB VAL 113 HB VAL 113 5.142 6.676 -5.685 910 HG11 VAL 113 HG11 VAL 113 3.283 6.875 -4.070 911 HG12 VAL 113 HG12 VAL 113 3.190 8.068 -5.365 912 HG13 VAL 113 HG13 VAL 113 2.136 6.654 -5.391 913 HG21 VAL 113 HG21 VAL 113 4.346 4.719 -4.427 914 HG22 VAL 113 HG22 VAL 113 3.253 4.323 -5.754 915 HG23 VAL 113 HG23 VAL 113 4.999 4.277 -6.004 916 H LYS 114 H LYS 114 5.870 7.981 -7.659 917 HA LYS 114 HA LYS 114 4.588 10.451 -7.374 918 HB2 LYS 114 HB2 LYS 114 7.049 9.963 -7.150 919 HB3 LYS 114 HB3 LYS 114 7.135 9.972 -8.906 920 HG2 LYS 114 HG2 LYS 114 6.380 12.279 -8.952 921 HG3 LYS 114 HG3 LYS 114 6.237 12.278 -7.193 922 HD2 LYS 114 HD2 LYS 114 8.777 11.833 -8.743 923 HD3 LYS 114 HD3 LYS 114 8.314 13.336 -7.947 924 HE2 LYS 114 HE2 LYS 114 8.286 12.158 -5.788 925 HE3 LYS 114 HE3 LYS 114 8.793 10.680 -6.600 926 HZ1 LYS 114 HZ1 LYS 114 10.340 13.210 -6.401 927 HZ2 LYS 114 HZ2 LYS 114 10.687 11.746 -5.615 928 HZ3 LYS 114 HZ3 LYS 114 10.826 11.859 -7.299 929 H LEU 115 H LEU 115 5.529 8.706 -10.323 930 HA LEU 115 HA LEU 115 4.509 10.754 -12.059 931 HB2 LEU 115 HB2 LEU 115 6.389 9.259 -12.659 932 HB3 LEU 115 HB3 LEU 115 5.280 7.902 -12.679 933 HG LEU 115 HG LEU 115 4.021 9.048 -14.518 934 HD11 LEU 115 HD11 LEU 115 4.751 11.328 -14.094 935 HD12 LEU 115 HD12 LEU 115 6.411 10.887 -14.498 936 HD13 LEU 115 HD13 LEU 115 5.157 10.836 -15.738 937 HD21 LEU 115 HD21 LEU 115 6.926 8.427 -15.031 938 HD22 LEU 115 HD22 LEU 115 5.603 7.261 -14.979 939 HD23 LEU 115 HD23 LEU 115 5.653 8.484 -16.250 940 H GLY 116 H GLY 116 3.255 7.859 -10.602 941 HA2 GLY 116 HA2 GLY 116 1.163 7.355 -12.446 942 HA3 GLY 116 HA3 GLY 116 1.275 6.726 -10.811 943 H VAL 117 H VAL 117 1.245 9.159 -9.392 944 HA VAL 117 HA VAL 117 -1.610 9.667 -9.615 945 HB VAL 117 HB VAL 117 -1.410 10.790 -7.437 946 HG11 VAL 117 HG11 VAL 117 -0.132 8.061 -7.552 947 HG12 VAL 117 HG12 VAL 117 -0.842 8.799 -6.116 948 HG13 VAL 117 HG13 VAL 117 -1.859 8.410 -7.502 949 HG21 VAL 117 HG21 VAL 117 0.845 11.687 -7.653 950 HG22 VAL 117 HG22 VAL 117 0.697 10.712 -6.191 951 HG23 VAL 117 HG23 VAL 117 1.513 10.055 -7.610 952 H GLU 118 H GLU 118 1.083 11.054 -10.899 953 HA GLU 118 HA GLU 118 -0.256 13.668 -11.065 954 HB2 GLU 118 HB2 GLU 118 1.731 13.883 -9.655 955 HB3 GLU 118 HB3 GLU 118 2.725 13.174 -10.922 956 HG2 GLU 118 HG2 GLU 118 2.143 15.082 -12.385 957 HG3 GLU 118 HG3 GLU 118 1.261 15.805 -11.041 958 H SER 119 H SER 119 -1.199 13.330 -13.036 959 HA SER 119 HA SER 119 0.614 12.854 -15.294 960 HB2 SER 119 HB2 SER 119 -1.585 11.560 -15.061 961 HB3 SER 119 HB3 SER 119 -2.400 13.081 -15.417 962 HG SER 119 HG SER 119 -1.460 13.107 -17.436 963 H GLU 120 H GLU 120 0.879 14.419 -16.900 964 HA GLU 120 HA GLU 120 0.334 17.115 -16.023 965 HB2 GLU 120 HB2 GLU 120 2.472 16.444 -17.154 966 HB3 GLU 120 HB3 GLU 120 1.560 16.239 -18.644 967 HG2 GLU 120 HG2 GLU 120 2.725 18.398 -18.523 968 HG3 GLU 120 HG3 GLU 120 0.974 18.573 -18.662 969 H GLY 121 H GLY 121 -1.799 17.512 -16.108 970 HA2 GLY 121 HA2 GLY 121 -3.525 18.518 -17.445 971 HA3 GLY 121 HA3 GLY 121 -3.039 17.470 -18.775 Start of MODEL 19 1 H ALA 1 H ALA 1 7.903 -3.369 18.782 2 HA ALA 1 HA ALA 1 8.830 -1.238 19.346 3 HB1 ALA 1 HB1 ALA 1 10.672 -2.819 21.138 4 HB2 ALA 1 HB2 ALA 1 10.782 -1.089 20.810 5 HB3 ALA 1 HB3 ALA 1 9.385 -1.736 21.673 6 H GLN 2 H GLN 2 9.475 -4.071 17.911 7 HA GLN 2 HA GLN 2 12.046 -3.255 16.777 8 HB2 GLN 2 HB2 GLN 2 11.879 -5.571 17.565 9 HB3 GLN 2 HB3 GLN 2 10.508 -5.848 16.502 10 HG2 GLN 2 HG2 GLN 2 12.593 -6.797 15.620 11 HG3 GLN 2 HG3 GLN 2 11.907 -5.572 14.554 12 HE21 GLN 2 HE21 GLN 2 13.913 -5.276 13.572 13 HE22 GLN 2 HE22 GLN 2 15.180 -4.377 14.347 14 H ALA 3 H ALA 3 11.808 -1.846 15.195 15 HA ALA 3 HA ALA 3 9.973 -2.501 12.997 16 HB1 ALA 3 HB1 ALA 3 8.837 -0.844 14.407 17 HB2 ALA 3 HB2 ALA 3 10.221 0.237 14.249 18 HB3 ALA 3 HB3 ALA 3 9.254 -0.174 12.830 19 H ASP 4 H ASP 4 10.700 -1.848 10.964 20 HA ASP 4 HA ASP 4 13.529 -0.996 10.927 21 HB2 ASP 4 HB2 ASP 4 12.037 -2.550 8.801 22 HB3 ASP 4 HB3 ASP 4 13.754 -2.167 8.809 23 H GLY 5 H GLY 5 10.458 -0.755 9.178 24 HA2 GLY 5 HA2 GLY 5 11.362 1.824 8.085 25 HA3 GLY 5 HA3 GLY 5 10.750 0.586 7.011 26 H ILE 6 H ILE 6 8.849 1.065 6.356 27 HA ILE 6 HA ILE 6 7.110 2.952 7.466 28 HB ILE 6 HB ILE 6 6.282 0.691 5.640 29 HG12 ILE 6 HG12 ILE 6 7.499 3.358 4.873 30 HG13 ILE 6 HG13 ILE 6 8.339 1.813 4.808 31 HG21 ILE 6 HG21 ILE 6 4.649 2.302 4.815 32 HG22 ILE 6 HG22 ILE 6 4.473 2.060 6.553 33 HG23 ILE 6 HG23 ILE 6 5.263 3.513 5.940 34 HD11 ILE 6 HD11 ILE 6 6.780 1.015 3.130 35 HD12 ILE 6 HD12 ILE 6 5.890 2.536 3.218 36 HD13 ILE 6 HD13 ILE 6 7.547 2.517 2.613 37 H ALA 7 H ALA 7 5.358 2.816 8.806 38 HA ALA 7 HA ALA 7 4.990 0.269 10.219 39 HB1 ALA 7 HB1 ALA 7 4.017 1.584 12.020 40 HB2 ALA 7 HB2 ALA 7 5.614 2.200 11.597 41 HB3 ALA 7 HB3 ALA 7 4.168 3.049 11.051 42 H PHE 8 H PHE 8 3.471 -0.868 9.151 43 HA PHE 8 HA PHE 8 1.049 0.450 8.217 44 HB2 PHE 8 HB2 PHE 8 2.119 -2.359 7.959 45 HB3 PHE 8 HB3 PHE 8 0.502 -1.911 7.436 46 HD1 PHE 8 HD1 PHE 8 0.173 -0.431 5.540 47 HD2 PHE 8 HD2 PHE 8 4.063 -1.666 6.736 48 HE1 PHE 8 HE1 PHE 8 1.066 0.315 3.375 49 HE2 PHE 8 HE2 PHE 8 4.966 -0.923 4.573 50 HZ PHE 8 HZ PHE 8 3.471 0.069 2.889 51 H ARG 9 H ARG 9 -0.859 0.363 9.243 52 HA ARG 9 HA ARG 9 -0.932 -1.154 11.760 53 HB2 ARG 9 HB2 ARG 9 -2.514 0.492 12.580 54 HB3 ARG 9 HB3 ARG 9 -1.059 1.292 12.005 55 HG2 ARG 9 HG2 ARG 9 -2.343 1.653 9.822 56 HG3 ARG 9 HG3 ARG 9 -3.780 1.220 10.754 57 HD2 ARG 9 HD2 ARG 9 -3.631 3.578 10.828 58 HD3 ARG 9 HD3 ARG 9 -3.097 3.000 12.406 59 HE ARG 9 HE ARG 9 -1.085 3.587 10.359 60 HH11 ARG 9 HH11 ARG 9 -2.560 4.339 13.452 61 HH12 ARG 9 HH12 ARG 9 -1.352 5.515 13.873 62 HH21 ARG 9 HH21 ARG 9 0.516 5.106 10.929 63 HH22 ARG 9 HH22 ARG 9 0.408 5.932 12.463 64 H GLU 10 H GLU 10 -2.655 -2.452 12.252 65 HA GLU 10 HA GLU 10 -4.326 -3.205 9.977 66 HB2 GLU 10 HB2 GLU 10 -3.988 -4.527 12.672 67 HB3 GLU 10 HB3 GLU 10 -4.920 -5.171 11.329 68 HG2 GLU 10 HG2 GLU 10 -2.884 -5.350 9.996 69 HG3 GLU 10 HG3 GLU 10 -1.949 -4.699 11.345 70 H LEU 11 H LEU 11 -5.857 -1.606 9.902 71 HA LEU 11 HA LEU 11 -7.804 -1.625 12.104 72 HB2 LEU 11 HB2 LEU 11 -6.754 0.616 10.440 73 HB3 LEU 11 HB3 LEU 11 -8.442 0.658 10.895 74 HG LEU 11 HG LEU 11 -7.736 0.504 13.293 75 HD11 LEU 11 HD11 LEU 11 -4.989 0.967 12.143 76 HD12 LEU 11 HD12 LEU 11 -5.418 1.039 13.851 77 HD13 LEU 11 HD13 LEU 11 -5.533 -0.488 12.977 78 HD21 LEU 11 HD21 LEU 11 -6.985 2.845 13.418 79 HD22 LEU 11 HD22 LEU 11 -6.710 2.827 11.676 80 HD23 LEU 11 HD23 LEU 11 -8.343 2.627 12.312 81 H SER 12 H SER 12 -10.055 -1.135 11.317 82 HA SER 12 HA SER 12 -10.698 -2.756 9.049 83 HB2 SER 12 HB2 SER 12 -12.520 -0.818 10.489 84 HB3 SER 12 HB3 SER 12 -12.990 -2.242 9.561 85 HG SER 12 HG SER 12 -11.715 -2.099 12.088 86 H PHE 13 H PHE 13 -12.028 -1.930 7.203 87 HA PHE 13 HA PHE 13 -10.623 0.121 5.878 88 HB2 PHE 13 HB2 PHE 13 -11.827 -1.744 4.741 89 HB3 PHE 13 HB3 PHE 13 -13.350 -0.957 5.138 90 HD1 PHE 13 HD1 PHE 13 -10.071 0.008 3.623 91 HD2 PHE 13 HD2 PHE 13 -14.317 0.220 3.431 92 HE1 PHE 13 HE1 PHE 13 -9.907 1.333 1.555 93 HE2 PHE 13 HE2 PHE 13 -14.160 1.543 1.360 94 HZ PHE 13 HZ PHE 13 -11.954 2.099 0.419 95 HA PRO 14 HA PRO 14 -14.572 2.934 6.836 96 HB2 PRO 14 HB2 PRO 14 -15.623 2.198 9.315 97 HB3 PRO 14 HB3 PRO 14 -16.391 1.935 7.748 98 HG2 PRO 14 HG2 PRO 14 -14.811 0.050 9.428 99 HG3 PRO 14 HG3 PRO 14 -16.227 -0.264 8.407 100 HD2 PRO 14 HD2 PRO 14 -13.755 -0.956 7.631 101 HD3 PRO 14 HD3 PRO 14 -14.962 -0.364 6.469 102 H GLU 15 H GLU 15 -12.827 1.400 9.531 103 HA GLU 15 HA GLU 15 -12.383 3.650 11.102 104 HB2 GLU 15 HB2 GLU 15 -10.680 1.195 10.681 105 HB3 GLU 15 HB3 GLU 15 -10.332 2.414 11.890 106 HG2 GLU 15 HG2 GLU 15 -12.563 1.958 12.893 107 HG3 GLU 15 HG3 GLU 15 -12.741 0.624 11.752 108 H ALA 16 H ALA 16 -10.275 2.205 8.645 109 HA ALA 16 HA ALA 16 -8.246 4.134 8.831 110 HB1 ALA 16 HB1 ALA 16 -8.932 2.345 6.501 111 HB2 ALA 16 HB2 ALA 16 -7.409 3.201 6.735 112 HB3 ALA 16 HB3 ALA 16 -7.884 1.924 7.856 113 H LEU 17 H LEU 17 -11.172 3.967 6.904 114 HA LEU 17 HA LEU 17 -10.635 6.112 5.155 115 HB2 LEU 17 HB2 LEU 17 -12.518 4.386 5.053 116 HB3 LEU 17 HB3 LEU 17 -13.350 5.378 6.229 117 HG LEU 17 HG LEU 17 -13.319 7.269 4.641 118 HD11 LEU 17 HD11 LEU 17 -11.326 6.669 3.383 119 HD12 LEU 17 HD12 LEU 17 -12.140 5.239 2.749 120 HD13 LEU 17 HD13 LEU 17 -12.711 6.848 2.305 121 HD21 LEU 17 HD21 LEU 17 -14.972 6.350 3.080 122 HD22 LEU 17 HD22 LEU 17 -14.514 4.718 3.565 123 HD23 LEU 17 HD23 LEU 17 -15.261 5.808 4.733 124 H LYS 18 H LYS 18 -12.327 5.963 8.262 125 HA LYS 18 HA LYS 18 -12.830 8.685 8.578 126 HB2 LYS 18 HB2 LYS 18 -13.868 6.922 9.931 127 HB3 LYS 18 HB3 LYS 18 -12.313 6.560 10.668 128 HG2 LYS 18 HG2 LYS 18 -13.765 7.899 12.114 129 HG3 LYS 18 HG3 LYS 18 -12.255 8.723 11.713 130 HD2 LYS 18 HD2 LYS 18 -14.090 10.272 11.563 131 HD3 LYS 18 HD3 LYS 18 -13.441 9.982 9.957 132 HE2 LYS 18 HE2 LYS 18 -15.268 8.468 9.460 133 HE3 LYS 18 HE3 LYS 18 -15.884 8.635 11.105 134 HZ1 LYS 18 HZ1 LYS 18 -17.091 10.009 9.486 135 HZ2 LYS 18 HZ2 LYS 18 -16.358 10.937 10.703 136 HZ3 LYS 18 HZ3 LYS 18 -15.661 10.871 9.160 137 H ARG 19 H ARG 19 -10.027 6.723 9.538 138 HA ARG 19 HA ARG 19 -8.539 8.735 10.788 139 HB2 ARG 19 HB2 ARG 19 -7.665 6.291 9.248 140 HB3 ARG 19 HB3 ARG 19 -6.549 7.334 10.111 141 HG2 ARG 19 HG2 ARG 19 -8.799 5.734 11.305 142 HG3 ARG 19 HG3 ARG 19 -7.070 5.416 11.458 143 HD2 ARG 19 HD2 ARG 19 -8.584 7.787 12.542 144 HD3 ARG 19 HD3 ARG 19 -7.863 6.479 13.470 145 HE ARG 19 HE ARG 19 -6.453 8.671 12.134 146 HH11 ARG 19 HH11 ARG 19 -6.348 5.831 14.195 147 HH12 ARG 19 HH12 ARG 19 -4.732 6.152 14.755 148 HH21 ARG 19 HH21 ARG 19 -4.342 9.085 12.865 149 HH22 ARG 19 HH22 ARG 19 -3.580 7.997 13.986 150 H ALA 20 H ALA 20 -8.560 7.677 7.395 151 HA ALA 20 HA ALA 20 -6.648 9.450 6.392 152 HB1 ALA 20 HB1 ALA 20 -7.665 9.029 4.202 153 HB2 ALA 20 HB2 ALA 20 -7.480 7.539 5.128 154 HB3 ALA 20 HB3 ALA 20 -9.063 8.304 4.994 155 H GLU 21 H GLU 21 -10.096 9.830 6.914 156 HA GLU 21 HA GLU 21 -10.445 12.330 5.685 157 HB2 GLU 21 HB2 GLU 21 -12.315 10.908 6.295 158 HB3 GLU 21 HB3 GLU 21 -11.898 11.034 7.996 159 HG2 GLU 21 HG2 GLU 21 -12.422 13.419 7.947 160 HG3 GLU 21 HG3 GLU 21 -12.848 13.284 6.240 161 H VAL 22 H VAL 22 -9.680 11.465 9.046 162 HA VAL 22 HA VAL 22 -9.673 14.156 9.974 163 HB VAL 22 HB VAL 22 -8.525 11.662 11.225 164 HG11 VAL 22 HG11 VAL 22 -8.483 12.934 13.319 165 HG12 VAL 22 HG12 VAL 22 -7.407 13.640 12.113 166 HG13 VAL 22 HG13 VAL 22 -8.971 14.387 12.444 167 HG21 VAL 22 HG21 VAL 22 -11.097 13.158 11.725 168 HG22 VAL 22 HG22 VAL 22 -10.941 11.592 10.930 169 HG23 VAL 22 HG23 VAL 22 -10.527 11.759 12.636 170 H GLU 23 H GLU 23 -7.030 11.868 9.242 171 HA GLU 23 HA GLU 23 -4.929 13.699 9.726 172 HB2 GLU 23 HB2 GLU 23 -5.001 11.331 7.845 173 HB3 GLU 23 HB3 GLU 23 -3.549 12.166 8.372 174 HG2 GLU 23 HG2 GLU 23 -5.446 10.710 10.195 175 HG3 GLU 23 HG3 GLU 23 -3.953 10.038 9.546 176 H ASP 24 H ASP 24 -7.111 13.238 7.115 177 HA ASP 24 HA ASP 24 -7.504 14.278 5.158 178 HB2 ASP 24 HB2 ASP 24 -7.531 16.283 6.631 179 HB3 ASP 24 HB3 ASP 24 -5.816 16.514 6.308 180 H LYS 25 H LYS 25 -6.010 12.462 4.528 181 HA LYS 25 HA LYS 25 -4.147 13.453 2.587 182 HB2 LYS 25 HB2 LYS 25 -2.230 12.087 3.423 183 HB3 LYS 25 HB3 LYS 25 -2.634 13.445 4.467 184 HG2 LYS 25 HG2 LYS 25 -3.828 11.913 5.972 185 HG3 LYS 25 HG3 LYS 25 -3.382 10.562 4.930 186 HD2 LYS 25 HD2 LYS 25 -1.890 10.720 6.859 187 HD3 LYS 25 HD3 LYS 25 -1.017 11.007 5.353 188 HE2 LYS 25 HE2 LYS 25 -1.057 13.392 5.738 189 HE3 LYS 25 HE3 LYS 25 -2.052 13.174 7.178 190 HZ1 LYS 25 HZ1 LYS 25 0.723 12.161 6.834 191 HZ2 LYS 25 HZ2 LYS 25 0.278 13.517 7.742 192 HZ3 LYS 25 HZ3 LYS 25 -0.233 11.978 8.221 193 H LEU 26 H LEU 26 -3.044 11.398 1.519 194 HA LEU 26 HA LEU 26 -5.242 9.781 0.653 195 HB2 LEU 26 HB2 LEU 26 -2.329 9.879 -0.057 196 HB3 LEU 26 HB3 LEU 26 -3.345 8.577 -0.639 197 HG LEU 26 HG LEU 26 -4.831 10.328 -1.682 198 HD11 LEU 26 HD11 LEU 26 -2.505 12.135 -1.051 199 HD12 LEU 26 HD12 LEU 26 -3.895 12.539 -2.059 200 HD13 LEU 26 HD13 LEU 26 -4.114 12.237 -0.335 201 HD21 LEU 26 HD21 LEU 26 -3.273 9.043 -3.003 202 HD22 LEU 26 HD22 LEU 26 -3.318 10.710 -3.576 203 HD23 LEU 26 HD23 LEU 26 -1.966 10.153 -2.590 204 H LEU 27 H LEU 27 -5.643 7.656 0.956 205 HA LEU 27 HA LEU 27 -4.394 6.442 3.293 206 HB2 LEU 27 HB2 LEU 27 -6.856 6.481 3.088 207 HB3 LEU 27 HB3 LEU 27 -6.741 5.545 1.612 208 HG LEU 27 HG LEU 27 -5.774 3.666 2.905 209 HD11 LEU 27 HD11 LEU 27 -6.445 5.352 5.311 210 HD12 LEU 27 HD12 LEU 27 -5.839 3.696 5.323 211 HD13 LEU 27 HD13 LEU 27 -4.816 5.003 4.730 212 HD21 LEU 27 HD21 LEU 27 -8.158 3.735 2.434 213 HD22 LEU 27 HD22 LEU 27 -7.860 3.026 4.022 214 HD23 LEU 27 HD23 LEU 27 -8.433 4.689 3.893 215 H PHE 28 H PHE 28 -2.808 5.002 3.105 216 HA PHE 28 HA PHE 28 -2.323 3.819 0.459 217 HB2 PHE 28 HB2 PHE 28 -0.481 5.146 1.495 218 HB3 PHE 28 HB3 PHE 28 -0.442 3.997 2.828 219 HD1 PHE 28 HD1 PHE 28 0.011 4.304 -0.831 220 HD2 PHE 28 HD2 PHE 28 0.810 2.034 2.676 221 HE1 PHE 28 HE1 PHE 28 1.591 2.910 -2.100 222 HE2 PHE 28 HE2 PHE 28 2.389 0.635 1.414 223 HZ PHE 28 HZ PHE 28 2.780 1.070 -0.973 224 H VAL 29 H VAL 29 -3.132 1.852 0.227 225 HA VAL 29 HA VAL 29 -3.496 0.181 2.611 226 HB VAL 29 HB VAL 29 -4.752 -0.157 -0.118 227 HG11 VAL 29 HG11 VAL 29 -6.254 -1.718 1.022 228 HG12 VAL 29 HG12 VAL 29 -4.574 -2.247 1.120 229 HG13 VAL 29 HG13 VAL 29 -5.347 -1.502 2.518 230 HG21 VAL 29 HG21 VAL 29 -5.936 0.984 2.416 231 HG22 VAL 29 HG22 VAL 29 -5.506 1.902 0.972 232 HG23 VAL 29 HG23 VAL 29 -6.797 0.702 0.902 233 H ASP 30 H ASP 30 -2.050 -1.276 2.972 234 HA ASP 30 HA ASP 30 -0.333 -2.388 0.941 235 HB2 ASP 30 HB2 ASP 30 0.604 -2.011 3.129 236 HB3 ASP 30 HB3 ASP 30 -0.675 -2.940 3.900 237 H CYS 31 H CYS 31 -1.131 -3.867 -0.404 238 HA CYS 31 HA CYS 31 -2.706 -6.055 0.769 239 HB2 CYS 31 HB2 CYS 31 -2.946 -4.849 -1.993 240 HB3 CYS 31 HB3 CYS 31 -3.730 -6.349 -1.503 241 HG CYS 31 HG CYS 31 -4.456 -4.034 0.688 242 H PHE 32 H PHE 32 -1.728 -7.943 0.718 243 HA PHE 32 HA PHE 32 0.086 -8.574 -1.473 244 HB2 PHE 32 HB2 PHE 32 1.893 -9.242 -0.033 245 HB3 PHE 32 HB3 PHE 32 1.442 -7.602 0.421 246 HD1 PHE 32 HD1 PHE 32 -0.270 -7.411 2.398 247 HD2 PHE 32 HD2 PHE 32 2.121 -10.844 1.606 248 HE1 PHE 32 HE1 PHE 32 -0.551 -8.142 4.727 249 HE2 PHE 32 HE2 PHE 32 1.840 -11.579 3.937 250 HZ PHE 32 HZ PHE 32 0.501 -10.228 5.499 251 H THR 33 H THR 33 0.403 -10.825 -1.760 252 HA THR 33 HA THR 33 -1.501 -12.515 -0.306 253 HB THR 33 HB THR 33 0.148 -13.575 -2.566 254 HG1 THR 33 HG1 THR 33 -1.978 -11.691 -2.794 255 HG21 THR 33 HG21 THR 33 -2.754 -13.893 -1.771 256 HG22 THR 33 HG22 THR 33 -1.940 -14.769 -3.067 257 HG23 THR 33 HG23 THR 33 -1.455 -15.021 -1.392 258 H THR 34 H THR 34 -0.751 -14.527 0.629 259 HA THR 34 HA THR 34 1.626 -14.189 2.116 260 HB THR 34 HB THR 34 -0.318 -15.463 2.951 261 HG1 THR 34 HG1 THR 34 2.299 -16.400 2.978 262 HG21 THR 34 HG21 THR 34 -0.653 -17.785 2.220 263 HG22 THR 34 HG22 THR 34 -0.922 -16.644 0.903 264 HG23 THR 34 HG23 THR 34 0.579 -17.568 0.978 265 H TRP 35 H TRP 35 1.344 -15.104 -1.054 266 HA TRP 35 HA TRP 35 3.420 -17.056 -1.217 267 HB2 TRP 35 HB2 TRP 35 2.306 -15.163 -3.306 268 HB3 TRP 35 HB3 TRP 35 3.425 -16.478 -3.643 269 HD1 TRP 35 HD1 TRP 35 -0.108 -16.069 -2.085 270 HE1 TRP 35 HE1 TRP 35 -1.529 -18.095 -2.788 271 HE3 TRP 35 HE3 TRP 35 3.441 -18.664 -4.681 272 HZ2 TRP 35 HZ2 TRP 35 -1.181 -20.483 -4.255 273 HZ3 TRP 35 HZ3 TRP 35 2.815 -20.812 -5.703 274 HH2 TRP 35 HH2 TRP 35 0.553 -21.703 -5.494 275 H CYS 36 H CYS 36 5.521 -16.705 -0.901 276 HA CYS 36 HA CYS 36 6.385 -13.952 -0.557 277 HB2 CYS 36 HB2 CYS 36 8.470 -15.164 0.386 278 HB3 CYS 36 HB3 CYS 36 6.973 -15.197 1.313 279 HG CYS 36 HG CYS 36 8.233 -17.742 -0.604 280 H GLY 37 H GLY 37 6.588 -13.307 -2.696 281 HA2 GLY 37 HA2 GLY 37 9.083 -14.260 -3.949 282 HA3 GLY 37 HA3 GLY 37 7.646 -13.954 -4.917 283 HA PRO 38 HA PRO 38 9.201 -9.813 -5.595 284 HB2 PRO 38 HB2 PRO 38 6.284 -9.262 -5.850 285 HB3 PRO 38 HB3 PRO 38 7.610 -8.835 -6.939 286 HG2 PRO 38 HG2 PRO 38 5.963 -10.830 -7.543 287 HG3 PRO 38 HG3 PRO 38 7.702 -10.958 -7.872 288 HD2 PRO 38 HD2 PRO 38 6.088 -12.207 -5.693 289 HD3 PRO 38 HD3 PRO 38 7.465 -12.867 -6.598 290 H CYS 39 H CYS 39 6.494 -10.532 -3.426 291 HA CYS 39 HA CYS 39 6.449 -8.051 -2.078 292 HB2 CYS 39 HB2 CYS 39 4.601 -9.664 -1.949 293 HB3 CYS 39 HB3 CYS 39 5.639 -10.800 -1.098 294 HG CYS 39 HG CYS 39 4.440 -7.820 0.086 295 H LYS 40 H LYS 40 8.393 -10.945 -1.683 296 HA LYS 40 HA LYS 40 9.480 -10.178 0.852 297 HB2 LYS 40 HB2 LYS 40 9.354 -12.541 0.098 298 HB3 LYS 40 HB3 LYS 40 10.544 -12.184 -1.145 299 HG2 LYS 40 HG2 LYS 40 12.211 -11.696 0.525 300 HG3 LYS 40 HG3 LYS 40 11.026 -11.900 1.815 301 HD2 LYS 40 HD2 LYS 40 10.743 -14.253 1.173 302 HD3 LYS 40 HD3 LYS 40 11.946 -14.046 -0.102 303 HE2 LYS 40 HE2 LYS 40 12.896 -15.089 1.917 304 HE3 LYS 40 HE3 LYS 40 13.653 -13.542 1.545 305 HZ1 LYS 40 HZ1 LYS 40 12.335 -12.491 3.247 306 HZ2 LYS 40 HZ2 LYS 40 11.504 -13.937 3.560 307 HZ3 LYS 40 HZ3 LYS 40 13.158 -13.810 3.912 308 H ARG 41 H ARG 41 10.410 -9.829 -2.519 309 HA ARG 41 HA ARG 41 13.000 -8.810 -2.132 310 HB2 ARG 41 HB2 ARG 41 11.084 -8.019 -4.328 311 HB3 ARG 41 HB3 ARG 41 12.832 -7.956 -4.379 312 HG2 ARG 41 HG2 ARG 41 12.826 -10.453 -4.136 313 HG3 ARG 41 HG3 ARG 41 11.082 -10.380 -4.417 314 HD2 ARG 41 HD2 ARG 41 12.079 -10.783 -6.520 315 HD3 ARG 41 HD3 ARG 41 11.595 -9.092 -6.521 316 HE ARG 41 HE ARG 41 14.362 -10.024 -6.091 317 HH11 ARG 41 HH11 ARG 41 12.089 -7.658 -7.341 318 HH12 ARG 41 HH12 ARG 41 13.326 -6.661 -8.035 319 HH21 ARG 41 HH21 ARG 41 15.976 -8.738 -7.043 320 HH22 ARG 41 HH22 ARG 41 15.535 -7.271 -7.881 321 H LEU 42 H LEU 42 9.840 -7.275 -2.316 322 HA LEU 42 HA LEU 42 10.625 -4.593 -2.090 323 HB2 LEU 42 HB2 LEU 42 8.374 -5.370 -2.742 324 HB3 LEU 42 HB3 LEU 42 8.103 -5.940 -1.108 325 HG LEU 42 HG LEU 42 8.356 -3.557 -0.334 326 HD11 LEU 42 HD11 LEU 42 8.073 -1.796 -2.001 327 HD12 LEU 42 HD12 LEU 42 9.568 -2.695 -2.263 328 HD13 LEU 42 HD13 LEU 42 8.167 -2.995 -3.291 329 HD21 LEU 42 HD21 LEU 42 6.132 -4.200 -2.267 330 HD22 LEU 42 HD22 LEU 42 6.180 -4.608 -0.553 331 HD23 LEU 42 HD23 LEU 42 6.095 -2.919 -1.056 332 H SER 43 H SER 43 9.635 -6.933 0.381 333 HA SER 43 HA SER 43 9.914 -5.213 2.588 334 HB2 SER 43 HB2 SER 43 10.063 -8.234 2.485 335 HB3 SER 43 HB3 SER 43 9.806 -7.266 3.939 336 HG SER 43 HG SER 43 8.088 -7.635 1.722 337 H LYS 44 H LYS 44 12.209 -7.146 0.840 338 HA LYS 44 HA LYS 44 14.207 -7.335 2.823 339 HB2 LYS 44 HB2 LYS 44 13.896 -8.608 0.574 340 HB3 LYS 44 HB3 LYS 44 14.790 -7.269 -0.122 341 HG2 LYS 44 HG2 LYS 44 15.836 -8.952 2.143 342 HG3 LYS 44 HG3 LYS 44 16.136 -9.310 0.442 343 HD2 LYS 44 HD2 LYS 44 17.188 -7.090 0.197 344 HD3 LYS 44 HD3 LYS 44 16.936 -6.806 1.919 345 HE2 LYS 44 HE2 LYS 44 18.604 -9.014 0.716 346 HE3 LYS 44 HE3 LYS 44 19.221 -7.540 1.457 347 HZ1 LYS 44 HZ1 LYS 44 19.360 -9.278 3.051 348 HZ2 LYS 44 HZ2 LYS 44 18.097 -8.259 3.543 349 HZ3 LYS 44 HZ3 LYS 44 17.745 -9.739 2.801 350 H VAL 45 H VAL 45 13.997 -5.149 -0.014 351 HA VAL 45 HA VAL 45 16.264 -3.675 1.064 352 HB VAL 45 HB VAL 45 16.240 -2.536 -1.173 353 HG11 VAL 45 HG11 VAL 45 17.776 -4.341 -0.703 354 HG12 VAL 45 HG12 VAL 45 16.540 -5.533 -1.105 355 HG13 VAL 45 HG13 VAL 45 17.190 -4.478 -2.360 356 HG21 VAL 45 HG21 VAL 45 15.009 -3.639 -2.992 357 HG22 VAL 45 HG22 VAL 45 14.195 -4.656 -1.800 358 HG23 VAL 45 HG23 VAL 45 13.931 -2.911 -1.799 359 H VAL 46 H VAL 46 12.926 -3.033 0.019 360 HA VAL 46 HA VAL 46 13.203 -0.205 0.234 361 HB VAL 46 HB VAL 46 10.672 -1.854 0.116 362 HG11 VAL 46 HG11 VAL 46 9.629 0.208 -0.716 363 HG12 VAL 46 HG12 VAL 46 10.236 0.391 0.930 364 HG13 VAL 46 HG13 VAL 46 11.138 1.078 -0.424 365 HG21 VAL 46 HG21 VAL 46 12.120 -2.276 -1.795 366 HG22 VAL 46 HG22 VAL 46 10.708 -1.340 -2.284 367 HG23 VAL 46 HG23 VAL 46 12.268 -0.543 -2.085 368 H PHE 47 H PHE 47 11.911 -2.705 2.354 369 HA PHE 47 HA PHE 47 10.950 -0.778 4.275 370 HB2 PHE 47 HB2 PHE 47 11.024 -3.791 4.218 371 HB3 PHE 47 HB3 PHE 47 10.522 -2.902 5.655 372 HD1 PHE 47 HD1 PHE 47 9.731 -3.496 2.090 373 HD2 PHE 47 HD2 PHE 47 8.371 -1.988 5.826 374 HE1 PHE 47 HE1 PHE 47 7.456 -3.299 1.176 375 HE2 PHE 47 HE2 PHE 47 6.095 -1.789 4.924 376 HZ PHE 47 HZ PHE 47 5.633 -2.443 2.595 377 H LYS 48 H LYS 48 13.537 -0.243 3.912 378 HA LYS 48 HA LYS 48 14.616 -0.751 6.565 379 HB2 LYS 48 HB2 LYS 48 15.617 -2.495 5.087 380 HB3 LYS 48 HB3 LYS 48 16.288 -1.212 4.089 381 HG2 LYS 48 HG2 LYS 48 17.475 -0.380 6.142 382 HG3 LYS 48 HG3 LYS 48 16.958 -1.864 6.943 383 HD2 LYS 48 HD2 LYS 48 18.650 -1.696 4.451 384 HD3 LYS 48 HD3 LYS 48 19.233 -2.059 6.075 385 HE2 LYS 48 HE2 LYS 48 17.816 -4.068 6.115 386 HE3 LYS 48 HE3 LYS 48 17.292 -3.714 4.466 387 HZ1 LYS 48 HZ1 LYS 48 20.055 -4.346 5.355 388 HZ2 LYS 48 HZ2 LYS 48 19.046 -5.324 4.407 389 HZ3 LYS 48 HZ3 LYS 48 19.639 -3.869 3.780 390 H ASP 49 H ASP 49 14.836 0.938 3.479 391 HA ASP 49 HA ASP 49 16.666 2.929 4.267 392 HB2 ASP 49 HB2 ASP 49 16.201 2.499 1.910 393 HB3 ASP 49 HB3 ASP 49 14.532 3.022 2.121 394 H SER 50 H SER 50 16.454 4.777 5.354 395 HA SER 50 HA SER 50 14.164 5.142 6.978 396 HB2 SER 50 HB2 SER 50 16.445 7.075 6.514 397 HB3 SER 50 HB3 SER 50 15.361 7.036 7.904 398 HG SER 50 HG SER 50 16.244 4.705 8.009 399 H LEU 51 H LEU 51 15.321 6.744 4.049 400 HA LEU 51 HA LEU 51 13.636 9.016 4.322 401 HB2 LEU 51 HB2 LEU 51 15.149 7.920 1.955 402 HB3 LEU 51 HB3 LEU 51 14.307 9.455 1.958 403 HG LEU 51 HG LEU 51 16.637 8.740 3.739 404 HD11 LEU 51 HD11 LEU 51 16.454 10.560 1.341 405 HD12 LEU 51 HD12 LEU 51 17.863 10.378 2.388 406 HD13 LEU 51 HD13 LEU 51 17.302 9.015 1.419 407 HD21 LEU 51 HD21 LEU 51 15.073 11.300 3.422 408 HD22 LEU 51 HD22 LEU 51 15.162 10.284 4.861 409 HD23 LEU 51 HD23 LEU 51 16.593 11.153 4.304 410 H VAL 52 H VAL 52 13.474 6.106 2.272 411 HA VAL 52 HA VAL 52 11.042 6.841 1.008 412 HB VAL 52 HB VAL 52 12.718 5.094 0.233 413 HG11 VAL 52 HG11 VAL 52 12.370 2.792 0.897 414 HG12 VAL 52 HG12 VAL 52 12.876 3.785 2.262 415 HG13 VAL 52 HG13 VAL 52 11.186 3.310 2.097 416 HG21 VAL 52 HG21 VAL 52 10.631 5.473 -0.922 417 HG22 VAL 52 HG22 VAL 52 11.004 3.748 -0.899 418 HG23 VAL 52 HG23 VAL 52 9.789 4.404 0.201 419 H ALA 53 H ALA 53 11.808 4.916 3.836 420 HA ALA 53 HA ALA 53 9.205 4.062 4.467 421 HB1 ALA 53 HB1 ALA 53 11.456 4.642 6.387 422 HB2 ALA 53 HB2 ALA 53 10.041 3.636 6.698 423 HB3 ALA 53 HB3 ALA 53 11.233 3.135 5.499 424 H ASP 54 H ASP 54 11.041 6.876 5.621 425 HA ASP 54 HA ASP 54 9.083 7.998 7.267 426 HB2 ASP 54 HB2 ASP 54 11.379 8.783 7.294 427 HB3 ASP 54 HB3 ASP 54 11.246 9.341 5.632 428 H TYR 55 H TYR 55 9.713 8.459 3.826 429 HA TYR 55 HA TYR 55 7.900 10.478 3.271 430 HB2 TYR 55 HB2 TYR 55 9.527 9.765 1.641 431 HB3 TYR 55 HB3 TYR 55 8.822 8.158 1.563 432 HD1 TYR 55 HD1 TYR 55 8.200 11.723 0.746 433 HD2 TYR 55 HD2 TYR 55 7.071 7.679 0.064 434 HE1 TYR 55 HE1 TYR 55 6.789 12.439 -1.139 435 HE2 TYR 55 HE2 TYR 55 5.666 8.382 -1.823 436 HH TYR 55 HH TYR 55 5.884 11.387 -3.258 437 H PHE 56 H PHE 56 7.330 6.959 2.924 438 HA PHE 56 HA PHE 56 4.582 7.343 2.301 439 HB2 PHE 56 HB2 PHE 56 6.236 4.919 2.948 440 HB3 PHE 56 HB3 PHE 56 4.497 4.807 2.721 441 HD1 PHE 56 HD1 PHE 56 3.501 5.424 0.528 442 HD2 PHE 56 HD2 PHE 56 7.705 5.110 1.103 443 HE1 PHE 56 HE1 PHE 56 3.818 5.266 -1.907 444 HE2 PHE 56 HE2 PHE 56 8.031 4.955 -1.328 445 HZ PHE 56 HZ PHE 56 6.087 5.033 -2.838 446 H ASN 57 H ASN 57 6.333 6.602 5.272 447 HA ASN 57 HA ASN 57 4.043 5.778 6.743 448 HB2 ASN 57 HB2 ASN 57 6.472 5.267 7.289 449 HB3 ASN 57 HB3 ASN 57 6.577 6.903 7.928 450 HD21 ASN 57 HD21 ASN 57 6.973 6.218 10.017 451 HD22 ASN 57 HD22 ASN 57 5.762 5.475 11.001 452 H ARG 58 H ARG 58 5.616 8.893 6.264 453 HA ARG 58 HA ARG 58 3.926 10.157 8.260 454 HB2 ARG 58 HB2 ARG 58 6.284 10.846 8.022 455 HB3 ARG 58 HB3 ARG 58 5.955 11.372 6.379 456 HG2 ARG 58 HG2 ARG 58 5.973 13.298 7.780 457 HG3 ARG 58 HG3 ARG 58 4.304 12.996 7.294 458 HD2 ARG 58 HD2 ARG 58 4.224 13.512 9.597 459 HD3 ARG 58 HD3 ARG 58 4.026 11.764 9.484 460 HE ARG 58 HE ARG 58 6.756 12.615 9.876 461 HH11 ARG 58 HH11 ARG 58 3.755 11.701 11.456 462 HH12 ARG 58 HH12 ARG 58 4.528 11.330 12.968 463 HH21 ARG 58 HH21 ARG 58 7.754 12.161 11.888 464 HH22 ARG 58 HH22 ARG 58 6.783 11.586 13.218 465 H HIS 59 H HIS 59 4.368 10.278 4.729 466 HA HIS 59 HA HIS 59 2.488 12.417 4.417 467 HB2 HIS 59 HB2 HIS 59 3.869 10.625 2.424 468 HB3 HIS 59 HB3 HIS 59 2.735 11.879 1.946 469 HD1 HIS 59 HD1 HIS 59 4.392 13.357 0.746 470 HD2 HIS 59 HD2 HIS 59 5.506 12.517 4.666 471 HE1 HIS 59 HE1 HIS 59 6.337 14.879 1.244 472 HE2 HIS 59 HE2 HIS 59 6.932 14.426 3.653 473 H PHE 60 H PHE 60 2.241 8.959 4.444 474 HA PHE 60 HA PHE 60 -0.574 9.191 3.586 475 HB2 PHE 60 HB2 PHE 60 1.279 6.842 3.113 476 HB3 PHE 60 HB3 PHE 60 -0.411 6.935 2.636 477 HD1 PHE 60 HD1 PHE 60 -1.098 8.348 0.765 478 HD2 PHE 60 HD2 PHE 60 2.991 7.963 1.869 479 HE1 PHE 60 HE1 PHE 60 -0.424 9.298 -1.406 480 HE2 PHE 60 HE2 PHE 60 3.674 8.915 -0.291 481 HZ PHE 60 HZ PHE 60 1.965 9.586 -1.934 482 H VAL 61 H VAL 61 -2.071 7.785 4.639 483 HA VAL 61 HA VAL 61 -1.176 6.770 7.223 484 HB VAL 61 HB VAL 61 -3.946 6.860 5.994 485 HG11 VAL 61 HG11 VAL 61 -4.741 6.186 8.242 486 HG12 VAL 61 HG12 VAL 61 -3.793 4.930 7.447 487 HG13 VAL 61 HG13 VAL 61 -3.067 5.909 8.722 488 HG21 VAL 61 HG21 VAL 61 -2.721 8.421 8.268 489 HG22 VAL 61 HG22 VAL 61 -3.080 9.042 6.658 490 HG23 VAL 61 HG23 VAL 61 -4.393 8.536 7.720 491 H ASN 62 H ASN 62 -0.402 4.784 7.357 492 HA ASN 62 HA ASN 62 -0.684 3.061 5.039 493 HB2 ASN 62 HB2 ASN 62 1.174 2.959 7.413 494 HB3 ASN 62 HB3 ASN 62 1.160 1.756 6.126 495 HD21 ASN 62 HD21 ASN 62 1.892 5.056 6.953 496 HD22 ASN 62 HD22 ASN 62 2.799 5.419 5.527 497 H LEU 63 H LEU 63 -2.309 1.769 5.003 498 HA LEU 63 HA LEU 63 -3.180 0.392 7.451 499 HB2 LEU 63 HB2 LEU 63 -4.917 1.643 6.275 500 HB3 LEU 63 HB3 LEU 63 -4.550 0.803 4.783 501 HG LEU 63 HG LEU 63 -5.255 -1.331 5.923 502 HD11 LEU 63 HD11 LEU 63 -5.029 -0.617 8.226 503 HD12 LEU 63 HD12 LEU 63 -6.277 0.606 7.994 504 HD13 LEU 63 HD13 LEU 63 -6.692 -1.106 7.898 505 HD21 LEU 63 HD21 LEU 63 -7.632 -0.888 5.622 506 HD22 LEU 63 HD22 LEU 63 -7.320 0.848 5.647 507 HD23 LEU 63 HD23 LEU 63 -6.680 -0.143 4.338 508 H LYS 64 H LYS 64 -3.125 -1.848 7.557 509 HA LYS 64 HA LYS 64 -2.043 -3.205 5.173 510 HB2 LYS 64 HB2 LYS 64 -0.404 -2.972 7.052 511 HB3 LYS 64 HB3 LYS 64 -1.477 -3.947 8.047 512 HG2 LYS 64 HG2 LYS 64 -1.191 -5.838 6.594 513 HG3 LYS 64 HG3 LYS 64 -0.245 -4.868 5.462 514 HD2 LYS 64 HD2 LYS 64 1.427 -4.503 7.262 515 HD3 LYS 64 HD3 LYS 64 0.503 -5.601 8.291 516 HE2 LYS 64 HE2 LYS 64 2.353 -6.780 7.266 517 HE3 LYS 64 HE3 LYS 64 0.823 -7.391 6.639 518 HZ1 LYS 64 HZ1 LYS 64 2.465 -7.085 4.886 519 HZ2 LYS 64 HZ2 LYS 64 1.136 -6.054 4.650 520 HZ3 LYS 64 HZ3 LYS 64 2.594 -5.438 5.260 521 H MET 65 H MET 65 -3.090 -4.969 4.467 522 HA MET 65 HA MET 65 -4.966 -6.364 6.222 523 HB2 MET 65 HB2 MET 65 -5.740 -4.897 3.710 524 HB3 MET 65 HB3 MET 65 -6.659 -6.285 4.268 525 HG2 MET 65 HG2 MET 65 -7.152 -5.146 6.355 526 HG3 MET 65 HG3 MET 65 -6.178 -3.768 5.842 527 HE1 MET 65 HE1 MET 65 -9.972 -2.579 5.734 528 HE2 MET 65 HE2 MET 65 -9.317 -3.807 6.820 529 HE3 MET 65 HE3 MET 65 -8.408 -2.330 6.506 530 H ASP 66 H ASP 66 -5.618 -8.432 5.396 531 HA ASP 66 HA ASP 66 -3.781 -9.525 3.385 532 HB2 ASP 66 HB2 ASP 66 -4.883 -10.715 5.671 533 HB3 ASP 66 HB3 ASP 66 -5.790 -11.371 4.285 534 H MET 67 H MET 67 -4.592 -10.798 1.692 535 HA MET 67 HA MET 67 -7.345 -10.152 0.936 536 HB2 MET 67 HB2 MET 67 -6.623 -11.207 -1.222 537 HB3 MET 67 HB3 MET 67 -5.961 -9.627 -0.866 538 HG2 MET 67 HG2 MET 67 -3.910 -10.801 -0.039 539 HG3 MET 67 HG3 MET 67 -4.603 -12.305 -0.644 540 HE1 MET 67 HE1 MET 67 -3.534 -8.716 -3.337 541 HE2 MET 67 HE2 MET 67 -4.950 -8.747 -2.285 542 HE3 MET 67 HE3 MET 67 -3.329 -8.726 -1.587 543 H GLU 68 H GLU 68 -5.719 -12.478 2.567 544 HA GLU 68 HA GLU 68 -7.384 -14.664 1.490 545 HB2 GLU 68 HB2 GLU 68 -4.857 -14.888 1.418 546 HB3 GLU 68 HB3 GLU 68 -4.891 -14.926 3.173 547 HG2 GLU 68 HG2 GLU 68 -4.762 -17.157 2.464 548 HG3 GLU 68 HG3 GLU 68 -6.422 -16.908 2.995 549 H LYS 69 H LYS 69 -6.570 -12.781 4.270 550 HA LYS 69 HA LYS 69 -8.225 -14.471 5.998 551 HB2 LYS 69 HB2 LYS 69 -6.419 -12.145 6.680 552 HB3 LYS 69 HB3 LYS 69 -7.358 -13.063 7.847 553 HG2 LYS 69 HG2 LYS 69 -5.133 -14.128 6.122 554 HG3 LYS 69 HG3 LYS 69 -5.045 -13.777 7.849 555 HD2 LYS 69 HD2 LYS 69 -6.900 -15.454 8.168 556 HD3 LYS 69 HD3 LYS 69 -6.679 -15.904 6.476 557 HE2 LYS 69 HE2 LYS 69 -5.444 -17.429 7.879 558 HE3 LYS 69 HE3 LYS 69 -4.314 -16.430 6.964 559 HZ1 LYS 69 HZ1 LYS 69 -5.138 -15.806 9.742 560 HZ2 LYS 69 HZ2 LYS 69 -3.778 -16.752 9.375 561 HZ3 LYS 69 HZ3 LYS 69 -3.843 -15.139 8.866 562 H GLY 70 H GLY 70 -10.040 -13.722 7.025 563 HA2 GLY 70 HA2 GLY 70 -11.826 -12.385 7.528 564 HA3 GLY 70 HA3 GLY 70 -10.768 -11.012 7.254 565 H GLU 71 H GLU 71 -11.915 -9.667 6.064 566 HA GLU 71 HA GLU 71 -13.714 -10.602 4.007 567 HB2 GLU 71 HB2 GLU 71 -14.258 -8.195 3.756 568 HB3 GLU 71 HB3 GLU 71 -14.424 -8.766 5.410 569 HG2 GLU 71 HG2 GLU 71 -12.153 -7.828 5.872 570 HG3 GLU 71 HG3 GLU 71 -12.193 -7.106 4.264 571 H GLY 72 H GLY 72 -10.589 -10.575 3.982 572 HA2 GLY 72 HA2 GLY 72 -9.687 -8.903 1.939 573 HA3 GLY 72 HA3 GLY 72 -8.941 -10.418 2.408 574 H VAL 73 H VAL 73 -11.346 -11.986 1.742 575 HA VAL 73 HA VAL 73 -10.667 -12.614 -0.911 576 HB VAL 73 HB VAL 73 -12.693 -14.056 -0.919 577 HG11 VAL 73 HG11 VAL 73 -11.910 -15.556 0.856 578 HG12 VAL 73 HG12 VAL 73 -10.570 -14.877 -0.071 579 HG13 VAL 73 HG13 VAL 73 -10.947 -14.242 1.530 580 HG21 VAL 73 HG21 VAL 73 -14.015 -14.281 1.130 581 HG22 VAL 73 HG22 VAL 73 -13.122 -12.942 1.855 582 HG23 VAL 73 HG23 VAL 73 -14.157 -12.657 0.458 583 H GLU 74 H GLU 74 -13.216 -10.568 0.405 584 HA GLU 74 HA GLU 74 -14.548 -10.209 -2.098 585 HB2 GLU 74 HB2 GLU 74 -14.708 -8.783 0.545 586 HB3 GLU 74 HB3 GLU 74 -15.611 -8.235 -0.862 587 HG2 GLU 74 HG2 GLU 74 -15.834 -10.903 0.503 588 HG3 GLU 74 HG3 GLU 74 -17.024 -9.599 0.503 589 H LEU 75 H LEU 75 -12.179 -8.383 -0.232 590 HA LEU 75 HA LEU 75 -11.997 -6.207 -2.027 591 HB2 LEU 75 HB2 LEU 75 -9.925 -7.294 -0.115 592 HB3 LEU 75 HB3 LEU 75 -9.842 -5.738 -0.917 593 HG LEU 75 HG LEU 75 -11.960 -6.554 1.078 594 HD11 LEU 75 HD11 LEU 75 -9.624 -4.669 1.345 595 HD12 LEU 75 HD12 LEU 75 -10.879 -4.937 2.553 596 HD13 LEU 75 HD13 LEU 75 -9.780 -6.246 2.122 597 HD21 LEU 75 HD21 LEU 75 -12.813 -4.984 -0.571 598 HD22 LEU 75 HD22 LEU 75 -12.613 -4.195 0.992 599 HD23 LEU 75 HD23 LEU 75 -11.437 -3.920 -0.290 600 H ARG 76 H ARG 76 -10.536 -9.367 -1.922 601 HA ARG 76 HA ARG 76 -8.497 -9.064 -3.791 602 HB2 ARG 76 HB2 ARG 76 -8.826 -11.086 -2.427 603 HB3 ARG 76 HB3 ARG 76 -10.278 -11.467 -3.346 604 HG2 ARG 76 HG2 ARG 76 -8.844 -11.560 -5.395 605 HG3 ARG 76 HG3 ARG 76 -7.440 -11.426 -4.335 606 HD2 ARG 76 HD2 ARG 76 -9.469 -13.624 -4.480 607 HD3 ARG 76 HD3 ARG 76 -7.738 -13.725 -4.772 608 HE ARG 76 HE ARG 76 -8.342 -12.883 -2.108 609 HH11 ARG 76 HH11 ARG 76 -7.964 -15.681 -4.177 610 HH12 ARG 76 HH12 ARG 76 -7.665 -16.772 -2.855 611 HH21 ARG 76 HH21 ARG 76 -7.931 -14.301 -0.380 612 HH22 ARG 76 HH22 ARG 76 -7.653 -15.992 -0.693 613 H LYS 77 H LYS 77 -11.851 -10.176 -4.358 614 HA LYS 77 HA LYS 77 -11.494 -10.172 -7.194 615 HB2 LYS 77 HB2 LYS 77 -13.991 -10.470 -7.245 616 HB3 LYS 77 HB3 LYS 77 -13.103 -11.690 -6.347 617 HG2 LYS 77 HG2 LYS 77 -13.725 -10.636 -4.257 618 HG3 LYS 77 HG3 LYS 77 -14.560 -9.353 -5.137 619 HD2 LYS 77 HD2 LYS 77 -15.273 -12.256 -5.462 620 HD3 LYS 77 HD3 LYS 77 -15.996 -11.244 -4.213 621 HE2 LYS 77 HE2 LYS 77 -16.025 -10.449 -7.108 622 HE3 LYS 77 HE3 LYS 77 -17.264 -11.501 -6.423 623 HZ1 LYS 77 HZ1 LYS 77 -17.873 -9.798 -4.884 624 HZ2 LYS 77 HZ2 LYS 77 -16.598 -8.797 -5.383 625 HZ3 LYS 77 HZ3 LYS 77 -17.884 -9.130 -6.439 626 H LYS 78 H LYS 78 -12.376 -7.832 -4.866 627 HA LYS 78 HA LYS 78 -13.788 -6.018 -6.481 628 HB2 LYS 78 HB2 LYS 78 -13.660 -5.934 -3.990 629 HB3 LYS 78 HB3 LYS 78 -11.993 -5.397 -4.126 630 HG2 LYS 78 HG2 LYS 78 -13.404 -3.505 -3.703 631 HG3 LYS 78 HG3 LYS 78 -12.775 -3.399 -5.349 632 HD2 LYS 78 HD2 LYS 78 -14.869 -4.262 -6.230 633 HD3 LYS 78 HD3 LYS 78 -15.494 -4.451 -4.592 634 HE2 LYS 78 HE2 LYS 78 -15.439 -2.062 -4.248 635 HE3 LYS 78 HE3 LYS 78 -14.665 -1.821 -5.813 636 HZ1 LYS 78 HZ1 LYS 78 -17.403 -2.887 -5.351 637 HZ2 LYS 78 HZ2 LYS 78 -17.012 -1.352 -5.964 638 HZ3 LYS 78 HZ3 LYS 78 -16.657 -2.745 -6.865 639 H TYR 79 H TYR 79 -10.338 -6.480 -5.886 640 HA TYR 79 HA TYR 79 -9.752 -4.268 -7.727 641 HB2 TYR 79 HB2 TYR 79 -8.046 -5.582 -5.609 642 HB3 TYR 79 HB3 TYR 79 -7.460 -4.349 -6.724 643 HD1 TYR 79 HD1 TYR 79 -9.874 -4.980 -3.975 644 HD2 TYR 79 HD2 TYR 79 -7.899 -2.053 -6.352 645 HE1 TYR 79 HE1 TYR 79 -10.693 -3.215 -2.477 646 HE2 TYR 79 HE2 TYR 79 -8.727 -0.283 -4.862 647 HH TYR 79 HH TYR 79 -10.094 -0.926 -1.817 648 H GLY 80 H GLY 80 -9.620 -7.695 -7.452 649 HA2 GLY 80 HA2 GLY 80 -9.721 -8.736 -9.667 650 HA3 GLY 80 HA3 GLY 80 -8.402 -7.686 -10.142 651 H VAL 81 H VAL 81 -6.703 -8.027 -7.970 652 HA VAL 81 HA VAL 81 -4.786 -9.172 -7.685 653 HB VAL 81 HB VAL 81 -6.811 -11.339 -7.202 654 HG11 VAL 81 HG11 VAL 81 -5.002 -12.629 -6.129 655 HG12 VAL 81 HG12 VAL 81 -4.750 -12.453 -7.866 656 HG13 VAL 81 HG13 VAL 81 -3.826 -11.461 -6.737 657 HG21 VAL 81 HG21 VAL 81 -6.236 -10.906 -4.871 658 HG22 VAL 81 HG22 VAL 81 -5.054 -9.699 -5.377 659 HG23 VAL 81 HG23 VAL 81 -6.773 -9.430 -5.670 660 H HIS 82 H HIS 82 -3.603 -9.115 -9.450 661 HA HIS 82 HA HIS 82 -3.700 -11.509 -11.161 662 HB2 HIS 82 HB2 HIS 82 -2.947 -8.675 -11.868 663 HB3 HIS 82 HB3 HIS 82 -2.436 -10.044 -12.848 664 HD1 HIS 82 HD1 HIS 82 -4.170 -11.108 -14.386 665 HD2 HIS 82 HD2 HIS 82 -5.731 -8.136 -11.926 666 HE1 HIS 82 HE1 HIS 82 -6.477 -10.642 -15.267 667 HE2 HIS 82 HE2 HIS 82 -7.341 -8.724 -13.874 668 H ALA 83 H ALA 83 -1.714 -9.097 -9.548 669 HA ALA 83 HA ALA 83 0.656 -10.793 -9.798 670 HB1 ALA 83 HB1 ALA 83 1.876 -8.886 -8.904 671 HB2 ALA 83 HB2 ALA 83 0.869 -8.384 -10.262 672 HB3 ALA 83 HB3 ALA 83 0.360 -8.034 -8.609 673 H TYR 84 H TYR 84 1.996 -10.233 -7.472 674 HA TYR 84 HA TYR 84 0.318 -11.537 -5.452 675 HB2 TYR 84 HB2 TYR 84 3.314 -11.158 -5.511 676 HB3 TYR 84 HB3 TYR 84 2.423 -12.011 -4.257 677 HD1 TYR 84 HD1 TYR 84 0.892 -13.976 -5.143 678 HD2 TYR 84 HD2 TYR 84 4.225 -12.380 -7.250 679 HE1 TYR 84 HE1 TYR 84 1.068 -16.061 -6.432 680 HE2 TYR 84 HE2 TYR 84 4.406 -14.460 -8.546 681 HH TYR 84 HH TYR 84 3.764 -16.891 -8.203 682 HA PRO 85 HA PRO 85 1.534 -7.614 -3.176 683 HB2 PRO 85 HB2 PRO 85 3.495 -5.981 -4.275 684 HB3 PRO 85 HB3 PRO 85 3.767 -7.228 -3.061 685 HG2 PRO 85 HG2 PRO 85 4.682 -7.204 -5.752 686 HG3 PRO 85 HG3 PRO 85 4.856 -8.507 -4.566 687 HD2 PRO 85 HD2 PRO 85 2.886 -8.193 -6.761 688 HD3 PRO 85 HD3 PRO 85 3.514 -9.673 -6.005 689 H THR 86 H THR 86 0.332 -5.752 -3.160 690 HA THR 86 HA THR 86 0.062 -4.206 -5.617 691 HB THR 86 HB THR 86 -2.348 -5.330 -4.174 692 HG1 THR 86 HG1 THR 86 -0.801 -6.306 -6.173 693 HG21 THR 86 HG21 THR 86 -2.163 -3.651 -6.683 694 HG22 THR 86 HG22 THR 86 -3.643 -4.308 -5.978 695 HG23 THR 86 HG23 THR 86 -2.721 -3.081 -5.111 696 H LEU 87 H LEU 87 0.178 -2.129 -5.162 697 HA LEU 87 HA LEU 87 -0.290 -1.250 -2.399 698 HB2 LEU 87 HB2 LEU 87 1.172 0.112 -4.670 699 HB3 LEU 87 HB3 LEU 87 0.979 0.777 -3.062 700 HG LEU 87 HG LEU 87 3.154 -0.047 -3.068 701 HD11 LEU 87 HD11 LEU 87 3.149 -2.002 -1.579 702 HD12 LEU 87 HD12 LEU 87 1.988 -0.770 -1.089 703 HD13 LEU 87 HD13 LEU 87 1.432 -2.227 -1.910 704 HD21 LEU 87 HD21 LEU 87 2.154 -2.566 -4.392 705 HD22 LEU 87 HD22 LEU 87 3.057 -1.267 -5.175 706 HD23 LEU 87 HD23 LEU 87 3.821 -2.237 -3.916 707 H LEU 88 H LEU 88 -2.116 -0.203 -1.979 708 HA LEU 88 HA LEU 88 -3.653 0.831 -4.264 709 HB2 LEU 88 HB2 LEU 88 -4.595 -0.072 -1.547 710 HB3 LEU 88 HB3 LEU 88 -5.631 0.586 -2.799 711 HG LEU 88 HG LEU 88 -4.073 -1.994 -2.962 712 HD11 LEU 88 HD11 LEU 88 -6.269 -3.050 -2.940 713 HD12 LEU 88 HD12 LEU 88 -6.010 -2.105 -1.473 714 HD13 LEU 88 HD13 LEU 88 -7.035 -1.471 -2.761 715 HD21 LEU 88 HD21 LEU 88 -4.223 -0.892 -5.133 716 HD22 LEU 88 HD22 LEU 88 -5.239 -2.334 -5.079 717 HD23 LEU 88 HD23 LEU 88 -5.969 -0.734 -4.938 718 H PHE 89 H PHE 89 -4.104 2.901 -4.422 719 HA PHE 89 HA PHE 89 -3.628 4.638 -2.098 720 HB2 PHE 89 HB2 PHE 89 -3.686 5.344 -5.044 721 HB3 PHE 89 HB3 PHE 89 -3.389 6.476 -3.730 722 HD1 PHE 89 HD1 PHE 89 -1.286 6.476 -2.534 723 HD2 PHE 89 HD2 PHE 89 -2.002 3.759 -5.730 724 HE1 PHE 89 HE1 PHE 89 1.122 5.983 -2.650 725 HE2 PHE 89 HE2 PHE 89 0.401 3.261 -5.853 726 HZ PHE 89 HZ PHE 89 1.967 4.373 -4.312 727 H ILE 90 H ILE 90 -5.446 5.120 -1.067 728 HA ILE 90 HA ILE 90 -7.942 5.314 -2.631 729 HB ILE 90 HB ILE 90 -7.647 4.680 0.315 730 HG12 ILE 90 HG12 ILE 90 -6.736 2.870 -1.077 731 HG13 ILE 90 HG13 ILE 90 -8.218 2.372 -0.269 732 HG21 ILE 90 HG21 ILE 90 -9.767 5.728 -0.210 733 HG22 ILE 90 HG22 ILE 90 -10.047 4.560 -1.503 734 HG23 ILE 90 HG23 ILE 90 -10.006 4.023 0.177 735 HD11 ILE 90 HD11 ILE 90 -8.170 1.561 -2.543 736 HD12 ILE 90 HD12 ILE 90 -9.457 2.752 -2.352 737 HD13 ILE 90 HD13 ILE 90 -7.949 3.204 -3.150 738 H ASN 91 H ASN 91 -9.157 7.148 -2.492 739 HA ASN 91 HA ASN 91 -8.088 9.474 -1.182 740 HB2 ASN 91 HB2 ASN 91 -10.840 9.087 -2.387 741 HB3 ASN 91 HB3 ASN 91 -10.129 10.621 -1.919 742 HD21 ASN 91 HD21 ASN 91 -10.270 8.149 -4.311 743 HD22 ASN 91 HD22 ASN 91 -9.315 8.960 -5.507 744 H SER 92 H SER 92 -9.343 10.744 0.392 745 HA SER 92 HA SER 92 -10.146 9.170 2.615 746 HB2 SER 92 HB2 SER 92 -10.877 11.513 3.474 747 HB3 SER 92 HB3 SER 92 -9.163 11.217 3.180 748 HG SER 92 HG SER 92 -9.457 13.044 2.087 749 H SER 93 H SER 93 -11.775 10.358 -0.121 750 HA SER 93 HA SER 93 -14.416 10.444 1.001 751 HB2 SER 93 HB2 SER 93 -13.628 10.272 -1.913 752 HB3 SER 93 HB3 SER 93 -15.140 10.890 -1.244 753 HG SER 93 HG SER 93 -14.097 12.652 -0.460 754 H GLY 94 H GLY 94 -12.361 7.934 0.174 755 HA2 GLY 94 HA2 GLY 94 -12.802 5.650 0.261 756 HA3 GLY 94 HA3 GLY 94 -14.524 6.005 0.255 757 H GLU 95 H GLU 95 -11.826 6.649 -1.967 758 HA GLU 95 HA GLU 95 -13.086 5.070 -4.054 759 HB2 GLU 95 HB2 GLU 95 -13.751 7.707 -3.933 760 HB3 GLU 95 HB3 GLU 95 -12.313 7.789 -4.939 761 HG2 GLU 95 HG2 GLU 95 -14.675 6.021 -5.518 762 HG3 GLU 95 HG3 GLU 95 -14.464 7.641 -6.179 763 H VAL 96 H VAL 96 -11.572 4.721 -5.876 764 HA VAL 96 HA VAL 96 -8.887 4.550 -4.772 765 HB VAL 96 HB VAL 96 -8.359 3.099 -6.670 766 HG11 VAL 96 HG11 VAL 96 -9.855 1.249 -6.119 767 HG12 VAL 96 HG12 VAL 96 -9.352 2.120 -4.670 768 HG13 VAL 96 HG13 VAL 96 -10.965 2.375 -5.337 769 HG21 VAL 96 HG21 VAL 96 -9.726 4.151 -8.384 770 HG22 VAL 96 HG22 VAL 96 -10.099 2.432 -8.261 771 HG23 VAL 96 HG23 VAL 96 -11.192 3.623 -7.558 772 H VAL 97 H VAL 97 -7.135 5.621 -5.445 773 HA VAL 97 HA VAL 97 -7.464 7.733 -7.428 774 HB VAL 97 HB VAL 97 -4.983 7.017 -5.848 775 HG11 VAL 97 HG11 VAL 97 -5.769 9.532 -7.311 776 HG12 VAL 97 HG12 VAL 97 -4.311 9.326 -6.339 777 HG13 VAL 97 HG13 VAL 97 -4.534 8.374 -7.808 778 HG21 VAL 97 HG21 VAL 97 -7.131 9.021 -5.177 779 HG22 VAL 97 HG22 VAL 97 -6.782 7.530 -4.304 780 HG23 VAL 97 HG23 VAL 97 -5.598 8.836 -4.326 781 H TYR 98 H TYR 98 -5.165 5.125 -6.774 782 HA TYR 98 HA TYR 98 -5.067 4.334 -9.543 783 HB2 TYR 98 HB2 TYR 98 -3.465 6.131 -9.628 784 HB3 TYR 98 HB3 TYR 98 -2.688 5.582 -8.149 785 HD1 TYR 98 HD1 TYR 98 -3.482 4.306 -11.577 786 HD2 TYR 98 HD2 TYR 98 -0.723 4.400 -8.340 787 HE1 TYR 98 HE1 TYR 98 -1.889 2.981 -12.904 788 HE2 TYR 98 HE2 TYR 98 0.873 3.074 -9.655 789 HH TYR 98 HH TYR 98 0.468 2.494 -13.022 790 H ARG 99 H ARG 99 -4.438 2.211 -9.745 791 HA ARG 99 HA ARG 99 -3.817 0.809 -7.237 792 HB2 ARG 99 HB2 ARG 99 -5.815 0.041 -8.443 793 HB3 ARG 99 HB3 ARG 99 -4.852 -0.224 -9.888 794 HG2 ARG 99 HG2 ARG 99 -3.564 -1.940 -8.676 795 HG3 ARG 99 HG3 ARG 99 -4.621 -1.709 -7.282 796 HD2 ARG 99 HD2 ARG 99 -5.347 -3.625 -8.581 797 HD3 ARG 99 HD3 ARG 99 -6.552 -2.340 -8.657 798 HE ARG 99 HE ARG 99 -4.591 -2.686 -10.828 799 HH11 ARG 99 HH11 ARG 99 -7.908 -2.532 -9.708 800 HH12 ARG 99 HH12 ARG 99 -8.589 -2.601 -11.310 801 HH21 ARG 99 HH21 ARG 99 -5.466 -2.730 -12.922 802 HH22 ARG 99 HH22 ARG 99 -7.191 -2.672 -13.149 803 H LEU 100 H LEU 100 -1.712 0.440 -6.935 804 HA LEU 100 HA LEU 100 0.020 0.189 -9.288 805 HB2 LEU 100 HB2 LEU 100 0.633 1.866 -7.590 806 HB3 LEU 100 HB3 LEU 100 0.730 0.593 -6.379 807 HG LEU 100 HG LEU 100 2.608 -0.423 -7.597 808 HD11 LEU 100 HD11 LEU 100 3.643 0.729 -9.461 809 HD12 LEU 100 HD12 LEU 100 1.975 0.309 -9.846 810 HD13 LEU 100 HD13 LEU 100 2.388 1.967 -9.416 811 HD21 LEU 100 HD21 LEU 100 4.265 1.339 -7.149 812 HD22 LEU 100 HD22 LEU 100 2.956 2.512 -6.994 813 HD23 LEU 100 HD23 LEU 100 3.090 1.182 -5.843 814 H VAL 101 H VAL 101 0.184 -1.846 -9.974 815 HA VAL 101 HA VAL 101 0.239 -4.000 -7.990 816 HB VAL 101 HB VAL 101 -0.038 -5.535 -9.919 817 HG11 VAL 101 HG11 VAL 101 -2.091 -3.338 -9.692 818 HG12 VAL 101 HG12 VAL 101 -2.374 -4.923 -10.412 819 HG13 VAL 101 HG13 VAL 101 -1.989 -4.790 -8.696 820 HG21 VAL 101 HG21 VAL 101 -0.331 -2.999 -11.524 821 HG22 VAL 101 HG22 VAL 101 1.006 -4.141 -11.638 822 HG23 VAL 101 HG23 VAL 101 -0.619 -4.637 -12.112 823 H GLY 102 H GLY 102 1.908 -5.455 -7.850 824 HA2 GLY 102 HA2 GLY 102 4.013 -6.362 -8.349 825 HA3 GLY 102 HA3 GLY 102 4.244 -5.105 -9.557 826 H ALA 103 H ALA 103 5.993 -6.049 -7.346 827 HA ALA 103 HA ALA 103 6.231 -3.499 -5.891 828 HB1 ALA 103 HB1 ALA 103 5.650 -5.372 -4.410 829 HB2 ALA 103 HB2 ALA 103 7.090 -6.236 -4.945 830 HB3 ALA 103 HB3 ALA 103 7.252 -4.725 -4.050 831 H GLU 104 H GLU 104 7.853 -2.360 -6.582 832 HA GLU 104 HA GLU 104 10.116 -3.653 -7.912 833 HB2 GLU 104 HB2 GLU 104 9.521 -0.700 -7.775 834 HB3 GLU 104 HB3 GLU 104 10.539 -1.543 -8.933 835 HG2 GLU 104 HG2 GLU 104 7.549 -1.821 -8.734 836 HG3 GLU 104 HG3 GLU 104 8.400 -0.792 -9.883 837 H ASP 105 H ASP 105 12.262 -2.364 -7.527 838 HA ASP 105 HA ASP 105 12.838 -2.350 -4.725 839 HB2 ASP 105 HB2 ASP 105 14.503 -1.501 -7.105 840 HB3 ASP 105 HB3 ASP 105 15.100 -1.518 -5.450 841 H ALA 106 H ALA 106 14.228 -0.291 -3.943 842 HA ALA 106 HA ALA 106 12.252 1.527 -3.287 843 HB1 ALA 106 HB1 ALA 106 14.286 1.161 -1.973 844 HB2 ALA 106 HB2 ALA 106 15.208 2.063 -3.174 845 HB3 ALA 106 HB3 ALA 106 13.950 2.872 -2.243 846 HA PRO 107 HA PRO 107 14.050 4.858 -6.328 847 HB2 PRO 107 HB2 PRO 107 15.387 3.255 -8.409 848 HB3 PRO 107 HB3 PRO 107 15.930 4.731 -7.605 849 HG2 PRO 107 HG2 PRO 107 17.062 2.357 -7.089 850 HG3 PRO 107 HG3 PRO 107 16.847 3.582 -5.824 851 HD2 PRO 107 HD2 PRO 107 15.234 1.118 -6.371 852 HD3 PRO 107 HD3 PRO 107 15.764 1.797 -4.820 853 H GLU 108 H GLU 108 13.387 1.716 -7.824 854 HA GLU 108 HA GLU 108 11.963 2.761 -10.042 855 HB2 GLU 108 HB2 GLU 108 13.092 0.563 -10.022 856 HB3 GLU 108 HB3 GLU 108 11.922 -0.016 -8.847 857 HG2 GLU 108 HG2 GLU 108 11.338 -0.840 -11.007 858 HG3 GLU 108 HG3 GLU 108 10.133 0.338 -10.499 859 H LEU 109 H LEU 109 10.988 1.445 -6.899 860 HA LEU 109 HA LEU 109 8.208 1.473 -7.254 861 HB2 LEU 109 HB2 LEU 109 9.436 0.481 -5.323 862 HB3 LEU 109 HB3 LEU 109 9.741 2.092 -4.726 863 HG LEU 109 HG LEU 109 7.293 2.444 -4.502 864 HD11 LEU 109 HD11 LEU 109 5.812 0.482 -4.560 865 HD12 LEU 109 HD12 LEU 109 6.488 0.860 -6.145 866 HD13 LEU 109 HD13 LEU 109 7.141 -0.484 -5.206 867 HD21 LEU 109 HD21 LEU 109 7.036 1.052 -2.512 868 HD22 LEU 109 HD22 LEU 109 8.411 0.071 -3.017 869 HD23 LEU 109 HD23 LEU 109 8.646 1.767 -2.596 870 H LEU 110 H LEU 110 10.398 3.933 -5.988 871 HA LEU 110 HA LEU 110 8.535 5.957 -5.517 872 HB2 LEU 110 HB2 LEU 110 11.438 6.130 -6.312 873 HB3 LEU 110 HB3 LEU 110 10.483 7.520 -5.838 874 HG LEU 110 HG LEU 110 11.086 5.137 -4.087 875 HD11 LEU 110 HD11 LEU 110 13.049 6.525 -4.493 876 HD12 LEU 110 HD12 LEU 110 12.140 7.960 -4.021 877 HD13 LEU 110 HD13 LEU 110 12.482 6.702 -2.833 878 HD21 LEU 110 HD21 LEU 110 10.085 6.479 -2.304 879 HD22 LEU 110 HD22 LEU 110 9.667 7.726 -3.479 880 HD23 LEU 110 HD23 LEU 110 8.918 6.132 -3.581 881 H LYS 111 H LYS 111 10.158 5.020 -8.501 882 HA LYS 111 HA LYS 111 9.233 7.190 -10.067 883 HB2 LYS 111 HB2 LYS 111 11.050 5.722 -10.817 884 HB3 LYS 111 HB3 LYS 111 9.931 4.368 -10.909 885 HG2 LYS 111 HG2 LYS 111 8.620 5.752 -12.582 886 HG3 LYS 111 HG3 LYS 111 10.020 6.824 -12.629 887 HD2 LYS 111 HD2 LYS 111 11.433 4.965 -13.324 888 HD3 LYS 111 HD3 LYS 111 10.049 3.871 -13.238 889 HE2 LYS 111 HE2 LYS 111 8.913 5.278 -14.947 890 HE3 LYS 111 HE3 LYS 111 10.395 6.220 -15.097 891 HZ1 LYS 111 HZ1 LYS 111 10.328 4.583 -16.818 892 HZ2 LYS 111 HZ2 LYS 111 11.544 4.144 -15.721 893 HZ3 LYS 111 HZ3 LYS 111 10.054 3.334 -15.702 894 H LYS 112 H LYS 112 7.966 3.944 -9.457 895 HA LYS 112 HA LYS 112 5.798 4.084 -11.241 896 HB2 LYS 112 HB2 LYS 112 6.155 2.384 -8.769 897 HB3 LYS 112 HB3 LYS 112 4.920 2.123 -9.991 898 HG2 LYS 112 HG2 LYS 112 7.901 1.896 -10.327 899 HG3 LYS 112 HG3 LYS 112 6.710 0.596 -10.388 900 HD2 LYS 112 HD2 LYS 112 6.796 2.907 -12.326 901 HD3 LYS 112 HD3 LYS 112 7.552 1.343 -12.624 902 HE2 LYS 112 HE2 LYS 112 4.617 1.779 -12.098 903 HE3 LYS 112 HE3 LYS 112 5.339 1.562 -13.691 904 HZ1 LYS 112 HZ1 LYS 112 5.284 -0.422 -11.479 905 HZ2 LYS 112 HZ2 LYS 112 4.455 -0.516 -12.955 906 HZ3 LYS 112 HZ3 LYS 112 6.143 -0.626 -12.924 907 H VAL 113 H VAL 113 6.076 4.971 -7.826 908 HA VAL 113 HA VAL 113 3.276 5.486 -7.540 909 HB VAL 113 HB VAL 113 4.597 4.968 -5.561 910 HG11 VAL 113 HG11 VAL 113 5.992 7.596 -6.039 911 HG12 VAL 113 HG12 VAL 113 6.157 6.596 -4.593 912 HG13 VAL 113 HG13 VAL 113 6.715 5.990 -6.154 913 HG21 VAL 113 HG21 VAL 113 2.568 6.254 -5.255 914 HG22 VAL 113 HG22 VAL 113 3.789 6.760 -4.084 915 HG23 VAL 113 HG23 VAL 113 3.456 7.756 -5.501 916 H LYS 114 H LYS 114 6.095 7.495 -8.299 917 HA LYS 114 HA LYS 114 4.753 9.979 -8.167 918 HB2 LYS 114 HB2 LYS 114 7.263 9.085 -9.566 919 HB3 LYS 114 HB3 LYS 114 6.653 10.722 -9.741 920 HG2 LYS 114 HG2 LYS 114 6.816 11.033 -7.316 921 HG3 LYS 114 HG3 LYS 114 7.458 9.396 -7.160 922 HD2 LYS 114 HD2 LYS 114 9.385 9.977 -8.497 923 HD3 LYS 114 HD3 LYS 114 8.721 11.580 -8.816 924 HE2 LYS 114 HE2 LYS 114 8.838 12.090 -6.419 925 HE3 LYS 114 HE3 LYS 114 9.538 10.499 -6.123 926 HZ1 LYS 114 HZ1 LYS 114 11.225 12.260 -6.248 927 HZ2 LYS 114 HZ2 LYS 114 11.436 11.091 -7.458 928 HZ3 LYS 114 HZ3 LYS 114 10.757 12.594 -7.848 929 H LEU 115 H LEU 115 5.607 7.962 -10.984 930 HA LEU 115 HA LEU 115 4.253 9.658 -12.823 931 HB2 LEU 115 HB2 LEU 115 5.471 6.928 -12.999 932 HB3 LEU 115 HB3 LEU 115 4.491 7.531 -14.319 933 HG LEU 115 HG LEU 115 6.812 7.904 -14.822 934 HD11 LEU 115 HD11 LEU 115 6.809 10.303 -15.204 935 HD12 LEU 115 HD12 LEU 115 5.230 9.602 -15.557 936 HD13 LEU 115 HD13 LEU 115 5.485 10.493 -14.055 937 HD21 LEU 115 HD21 LEU 115 6.962 9.460 -12.245 938 HD22 LEU 115 HD22 LEU 115 7.715 7.898 -12.560 939 HD23 LEU 115 HD23 LEU 115 8.244 9.327 -13.448 940 H GLY 116 H GLY 116 3.080 7.444 -10.595 941 HA2 GLY 116 HA2 GLY 116 0.820 6.517 -12.131 942 HA3 GLY 116 HA3 GLY 116 1.087 6.270 -10.411 943 H VAL 117 H VAL 117 1.510 9.192 -10.004 944 HA VAL 117 HA VAL 117 -1.326 10.004 -10.155 945 HB VAL 117 HB VAL 117 0.704 10.878 -8.089 946 HG11 VAL 117 HG11 VAL 117 -1.223 11.797 -6.911 947 HG12 VAL 117 HG12 VAL 117 -1.061 12.515 -8.514 948 HG13 VAL 117 HG13 VAL 117 -2.283 11.275 -8.221 949 HG21 VAL 117 HG21 VAL 117 -0.533 9.452 -6.525 950 HG22 VAL 117 HG22 VAL 117 -1.527 8.868 -7.858 951 HG23 VAL 117 HG23 VAL 117 0.200 8.518 -7.830 952 H GLU 118 H GLU 118 1.962 11.302 -9.948 953 HA GLU 118 HA GLU 118 3.022 13.021 -10.932 954 HB2 GLU 118 HB2 GLU 118 2.151 12.038 -13.005 955 HB3 GLU 118 HB3 GLU 118 0.723 13.055 -12.872 956 HG2 GLU 118 HG2 GLU 118 2.482 13.861 -14.432 957 HG3 GLU 118 HG3 GLU 118 1.980 15.026 -13.213 958 H SER 119 H SER 119 3.230 14.791 -9.863 959 HA SER 119 HA SER 119 2.926 16.867 -9.052 960 HB2 SER 119 HB2 SER 119 0.578 17.010 -10.956 961 HB3 SER 119 HB3 SER 119 1.420 18.379 -10.222 962 HG SER 119 HG SER 119 2.924 16.510 -11.675 963 H GLU 120 H GLU 120 2.458 16.005 -7.020 964 HA GLU 120 HA GLU 120 -0.282 15.617 -6.202 965 HB2 GLU 120 HB2 GLU 120 0.654 15.171 -4.000 966 HB3 GLU 120 HB3 GLU 120 1.546 14.284 -5.229 967 HG2 GLU 120 HG2 GLU 120 3.298 16.002 -5.170 968 HG3 GLU 120 HG3 GLU 120 2.412 16.841 -3.899 969 H GLY 121 H GLY 121 1.756 18.257 -6.589 970 HA2 GLY 121 HA2 GLY 121 -0.133 20.066 -5.416 971 HA3 GLY 121 HA3 GLY 121 1.369 19.956 -4.500 Start of MODEL 20 1 H ALA 1 H ALA 1 8.044 7.083 19.377 2 HA ALA 1 HA ALA 1 9.681 5.558 20.216 3 HB1 ALA 1 HB1 ALA 1 7.546 4.161 18.610 4 HB2 ALA 1 HB2 ALA 1 8.396 3.512 20.011 5 HB3 ALA 1 HB3 ALA 1 7.319 4.896 20.198 6 H GLN 2 H GLN 2 9.031 5.046 16.748 7 HA GLN 2 HA GLN 2 11.757 4.065 16.445 8 HB2 GLN 2 HB2 GLN 2 10.955 2.083 15.148 9 HB3 GLN 2 HB3 GLN 2 10.612 2.009 16.870 10 HG2 GLN 2 HG2 GLN 2 8.337 2.406 16.560 11 HG3 GLN 2 HG3 GLN 2 8.576 3.022 14.924 12 HE21 GLN 2 HE21 GLN 2 8.774 1.626 13.240 13 HE22 GLN 2 HE22 GLN 2 8.445 -0.071 13.370 14 H ALA 3 H ALA 3 12.463 3.941 14.267 15 HA ALA 3 HA ALA 3 10.698 5.108 12.227 16 HB1 ALA 3 HB1 ALA 3 13.546 5.973 12.751 17 HB2 ALA 3 HB2 ALA 3 12.555 6.489 11.388 18 HB3 ALA 3 HB3 ALA 3 12.097 6.940 13.031 19 H ASP 4 H ASP 4 11.693 2.441 12.986 20 HA ASP 4 HA ASP 4 13.659 1.736 10.981 21 HB2 ASP 4 HB2 ASP 4 13.837 0.756 13.215 22 HB3 ASP 4 HB3 ASP 4 12.238 0.038 13.043 23 H GLY 5 H GLY 5 12.945 1.540 8.973 24 HA2 GLY 5 HA2 GLY 5 11.852 0.655 7.173 25 HA3 GLY 5 HA3 GLY 5 11.195 -0.562 8.254 26 H ILE 6 H ILE 6 9.366 -0.202 6.688 27 HA ILE 6 HA ILE 6 7.784 2.174 7.296 28 HB ILE 6 HB ILE 6 7.319 0.000 5.246 29 HG12 ILE 6 HG12 ILE 6 8.276 2.850 4.905 30 HG13 ILE 6 HG13 ILE 6 9.312 1.429 4.834 31 HG21 ILE 6 HG21 ILE 6 5.228 1.024 5.973 32 HG22 ILE 6 HG22 ILE 6 5.888 2.628 5.656 33 HG23 ILE 6 HG23 ILE 6 5.620 1.505 4.324 34 HD11 ILE 6 HD11 ILE 6 8.771 2.252 2.617 35 HD12 ILE 6 HD12 ILE 6 8.091 0.645 2.872 36 HD13 ILE 6 HD13 ILE 6 7.051 2.067 2.954 37 H ALA 7 H ALA 7 6.432 2.068 8.917 38 HA ALA 7 HA ALA 7 5.609 -0.520 9.974 39 HB1 ALA 7 HB1 ALA 7 4.871 0.723 11.931 40 HB2 ALA 7 HB2 ALA 7 6.526 1.157 11.507 41 HB3 ALA 7 HB3 ALA 7 5.200 2.246 11.104 42 H PHE 8 H PHE 8 3.730 -1.394 9.513 43 HA PHE 8 HA PHE 8 1.652 0.227 8.263 44 HB2 PHE 8 HB2 PHE 8 2.164 -2.731 8.430 45 HB3 PHE 8 HB3 PHE 8 0.601 -2.108 7.930 46 HD1 PHE 8 HD1 PHE 8 0.373 -0.859 5.840 47 HD2 PHE 8 HD2 PHE 8 4.073 -2.605 6.999 48 HE1 PHE 8 HE1 PHE 8 1.199 -0.618 3.537 49 HE2 PHE 8 HE2 PHE 8 4.910 -2.365 4.698 50 HZ PHE 8 HZ PHE 8 3.476 -1.372 2.962 51 H ARG 9 H ARG 9 -0.431 0.297 8.962 52 HA ARG 9 HA ARG 9 -0.930 -0.531 11.752 53 HB2 ARG 9 HB2 ARG 9 -2.605 1.536 10.375 54 HB3 ARG 9 HB3 ARG 9 -2.191 1.397 12.077 55 HG2 ARG 9 HG2 ARG 9 -0.014 2.297 11.700 56 HG3 ARG 9 HG3 ARG 9 -0.232 2.231 9.951 57 HD2 ARG 9 HD2 ARG 9 -2.237 3.801 10.360 58 HD3 ARG 9 HD3 ARG 9 -1.515 4.075 11.945 59 HE ARG 9 HE ARG 9 0.537 4.503 10.190 60 HH11 ARG 9 HH11 ARG 9 -2.672 5.859 10.638 61 HH12 ARG 9 HH12 ARG 9 -2.268 7.384 9.893 62 HH21 ARG 9 HH21 ARG 9 1.053 6.504 9.190 63 HH22 ARG 9 HH22 ARG 9 -0.159 7.742 9.067 64 H GLU 10 H GLU 10 -2.923 -1.641 12.136 65 HA GLU 10 HA GLU 10 -4.455 -2.233 9.691 66 HB2 GLU 10 HB2 GLU 10 -3.004 -4.167 10.375 67 HB3 GLU 10 HB3 GLU 10 -3.936 -4.263 11.865 68 HG2 GLU 10 HG2 GLU 10 -5.982 -4.596 10.503 69 HG3 GLU 10 HG3 GLU 10 -4.966 -4.641 9.064 70 H LEU 11 H LEU 11 -6.027 -0.781 10.157 71 HA LEU 11 HA LEU 11 -7.728 -1.384 12.474 72 HB2 LEU 11 HB2 LEU 11 -7.394 1.148 10.864 73 HB3 LEU 11 HB3 LEU 11 -8.655 0.910 12.047 74 HG LEU 11 HG LEU 11 -5.693 0.928 12.615 75 HD11 LEU 11 HD11 LEU 11 -6.567 3.138 12.093 76 HD12 LEU 11 HD12 LEU 11 -7.852 2.921 13.281 77 HD13 LEU 11 HD13 LEU 11 -6.171 3.007 13.807 78 HD21 LEU 11 HD21 LEU 11 -8.027 0.716 14.507 79 HD22 LEU 11 HD22 LEU 11 -6.918 -0.590 14.093 80 HD23 LEU 11 HD23 LEU 11 -6.327 0.827 14.959 81 H SER 12 H SER 12 -10.094 -1.009 12.002 82 HA SER 12 HA SER 12 -11.019 -2.506 9.845 83 HB2 SER 12 HB2 SER 12 -12.547 -0.327 11.285 84 HB3 SER 12 HB3 SER 12 -13.227 -1.712 10.428 85 HG SER 12 HG SER 12 -12.751 -1.639 12.936 86 H PHE 13 H PHE 13 -12.214 -1.859 7.962 87 HA PHE 13 HA PHE 13 -10.804 -0.147 6.314 88 HB2 PHE 13 HB2 PHE 13 -12.269 -1.955 5.511 89 HB3 PHE 13 HB3 PHE 13 -13.679 -1.012 5.983 90 HD1 PHE 13 HD1 PHE 13 -10.652 -0.833 3.824 91 HD2 PHE 13 HD2 PHE 13 -14.682 0.392 4.440 92 HE1 PHE 13 HE1 PHE 13 -10.658 0.244 1.614 93 HE2 PHE 13 HE2 PHE 13 -14.692 1.476 2.231 94 HZ PHE 13 HZ PHE 13 -12.679 1.403 0.816 95 HA PRO 14 HA PRO 14 -14.217 3.294 6.841 96 HB2 PRO 14 HB2 PRO 14 -15.631 3.173 9.187 97 HB3 PRO 14 HB3 PRO 14 -16.227 2.560 7.641 98 HG2 PRO 14 HG2 PRO 14 -14.945 1.076 9.902 99 HG3 PRO 14 HG3 PRO 14 -16.350 0.621 8.917 100 HD2 PRO 14 HD2 PRO 14 -13.929 -0.441 8.475 101 HD3 PRO 14 HD3 PRO 14 -15.033 -0.065 7.136 102 H GLU 15 H GLU 15 -12.703 1.875 9.684 103 HA GLU 15 HA GLU 15 -12.229 4.229 11.132 104 HB2 GLU 15 HB2 GLU 15 -10.752 1.600 11.049 105 HB3 GLU 15 HB3 GLU 15 -10.383 2.883 12.188 106 HG2 GLU 15 HG2 GLU 15 -13.036 1.482 11.946 107 HG3 GLU 15 HG3 GLU 15 -11.798 1.115 13.146 108 H ALA 16 H ALA 16 -10.217 2.432 8.841 109 HA ALA 16 HA ALA 16 -7.938 4.026 9.085 110 HB1 ALA 16 HB1 ALA 16 -8.827 2.408 6.697 111 HB2 ALA 16 HB2 ALA 16 -7.189 2.982 7.014 112 HB3 ALA 16 HB3 ALA 16 -7.929 1.789 8.084 113 H LEU 17 H LEU 17 -10.688 4.232 6.847 114 HA LEU 17 HA LEU 17 -9.673 6.319 5.240 115 HB2 LEU 17 HB2 LEU 17 -12.513 5.482 5.829 116 HB3 LEU 17 HB3 LEU 17 -12.085 6.691 4.635 117 HG LEU 17 HG LEU 17 -11.224 3.799 4.558 118 HD11 LEU 17 HD11 LEU 17 -12.789 3.623 2.682 119 HD12 LEU 17 HD12 LEU 17 -13.615 4.043 4.183 120 HD13 LEU 17 HD13 LEU 17 -13.311 5.284 2.967 121 HD21 LEU 17 HD21 LEU 17 -10.476 4.347 2.284 122 HD22 LEU 17 HD22 LEU 17 -10.890 6.039 2.562 123 HD23 LEU 17 HD23 LEU 17 -9.606 5.278 3.501 124 H LYS 18 H LYS 18 -11.812 6.352 8.066 125 HA LYS 18 HA LYS 18 -12.274 9.099 8.178 126 HB2 LYS 18 HB2 LYS 18 -13.601 7.456 9.350 127 HB3 LYS 18 HB3 LYS 18 -12.210 6.948 10.289 128 HG2 LYS 18 HG2 LYS 18 -12.173 9.030 11.468 129 HG3 LYS 18 HG3 LYS 18 -13.461 9.673 10.439 130 HD2 LYS 18 HD2 LYS 18 -14.267 8.868 12.625 131 HD3 LYS 18 HD3 LYS 18 -15.014 8.032 11.274 132 HE2 LYS 18 HE2 LYS 18 -13.334 6.210 11.586 133 HE3 LYS 18 HE3 LYS 18 -12.792 7.031 13.049 134 HZ1 LYS 18 HZ1 LYS 18 -15.568 6.079 12.587 135 HZ2 LYS 18 HZ2 LYS 18 -14.392 5.224 13.460 136 HZ3 LYS 18 HZ3 LYS 18 -14.946 6.729 14.026 137 H ARG 19 H ARG 19 -9.829 7.070 9.772 138 HA ARG 19 HA ARG 19 -8.556 9.146 11.186 139 HB2 ARG 19 HB2 ARG 19 -7.676 6.407 10.307 140 HB3 ARG 19 HB3 ARG 19 -6.590 7.487 11.165 141 HG2 ARG 19 HG2 ARG 19 -9.268 6.589 12.200 142 HG3 ARG 19 HG3 ARG 19 -7.722 5.855 12.629 143 HD2 ARG 19 HD2 ARG 19 -6.958 7.975 13.554 144 HD3 ARG 19 HD3 ARG 19 -8.476 8.739 13.087 145 HE ARG 19 HE ARG 19 -9.265 6.672 14.666 146 HH11 ARG 19 HH11 ARG 19 -6.936 9.262 15.083 147 HH12 ARG 19 HH12 ARG 19 -7.226 9.417 16.794 148 HH21 ARG 19 HH21 ARG 19 -9.629 6.852 16.907 149 HH22 ARG 19 HH22 ARG 19 -8.762 8.041 17.836 150 H ALA 20 H ALA 20 -7.983 7.762 7.987 151 HA ALA 20 HA ALA 20 -5.654 9.128 7.287 152 HB1 ALA 20 HB1 ALA 20 -6.637 7.317 5.946 153 HB2 ALA 20 HB2 ALA 20 -7.955 8.392 5.478 154 HB3 ALA 20 HB3 ALA 20 -6.304 8.751 4.973 155 H GLU 21 H GLU 21 -9.038 10.073 6.868 156 HA GLU 21 HA GLU 21 -8.580 12.464 5.493 157 HB2 GLU 21 HB2 GLU 21 -10.758 11.213 5.778 158 HB3 GLU 21 HB3 GLU 21 -10.866 11.928 7.381 159 HG2 GLU 21 HG2 GLU 21 -12.210 13.188 5.849 160 HG3 GLU 21 HG3 GLU 21 -10.831 14.166 6.348 161 H VAL 22 H VAL 22 -8.678 11.776 8.948 162 HA VAL 22 HA VAL 22 -8.728 14.589 9.616 163 HB VAL 22 HB VAL 22 -8.503 12.172 11.409 164 HG11 VAL 22 HG11 VAL 22 -9.044 15.057 12.108 165 HG12 VAL 22 HG12 VAL 22 -9.121 13.697 13.228 166 HG13 VAL 22 HG13 VAL 22 -7.582 14.148 12.494 167 HG21 VAL 22 HG21 VAL 22 -10.601 12.240 10.189 168 HG22 VAL 22 HG22 VAL 22 -10.868 12.609 11.894 169 HG23 VAL 22 HG23 VAL 22 -10.863 13.908 10.701 170 H GLU 23 H GLU 23 -6.386 11.920 10.256 171 HA GLU 23 HA GLU 23 -4.524 14.030 11.087 172 HB2 GLU 23 HB2 GLU 23 -3.432 12.242 12.421 173 HB3 GLU 23 HB3 GLU 23 -5.065 12.636 12.921 174 HG2 GLU 23 HG2 GLU 23 -5.862 10.655 11.663 175 HG3 GLU 23 HG3 GLU 23 -4.180 10.246 11.325 176 H ASP 24 H ASP 24 -5.003 12.103 8.478 177 HA ASP 24 HA ASP 24 -2.156 12.269 7.795 178 HB2 ASP 24 HB2 ASP 24 -3.910 9.830 7.449 179 HB3 ASP 24 HB3 ASP 24 -2.416 10.056 6.551 180 H LYS 25 H LYS 25 -2.816 10.924 5.175 181 HA LYS 25 HA LYS 25 -4.505 13.023 4.027 182 HB2 LYS 25 HB2 LYS 25 -1.820 12.080 3.058 183 HB3 LYS 25 HB3 LYS 25 -2.955 12.932 2.013 184 HG2 LYS 25 HG2 LYS 25 -2.933 14.840 3.526 185 HG3 LYS 25 HG3 LYS 25 -1.831 13.983 4.603 186 HD2 LYS 25 HD2 LYS 25 -0.124 13.961 2.887 187 HD3 LYS 25 HD3 LYS 25 -1.231 14.725 1.743 188 HE2 LYS 25 HE2 LYS 25 0.350 16.330 2.733 189 HE3 LYS 25 HE3 LYS 25 -1.328 16.717 3.113 190 HZ1 LYS 25 HZ1 LYS 25 0.640 15.401 4.912 191 HZ2 LYS 25 HZ2 LYS 25 0.006 16.964 5.073 192 HZ3 LYS 25 HZ3 LYS 25 -0.996 15.616 5.286 193 H LEU 26 H LEU 26 -2.775 10.302 2.549 194 HA LEU 26 HA LEU 26 -5.380 9.390 1.527 195 HB2 LEU 26 HB2 LEU 26 -2.643 9.080 0.298 196 HB3 LEU 26 HB3 LEU 26 -4.123 8.414 -0.364 197 HG LEU 26 HG LEU 26 -3.507 11.352 -0.036 198 HD11 LEU 26 HD11 LEU 26 -2.208 10.306 -1.807 199 HD12 LEU 26 HD12 LEU 26 -3.678 9.618 -2.498 200 HD13 LEU 26 HD13 LEU 26 -3.445 11.366 -2.480 201 HD21 LEU 26 HD21 LEU 26 -5.886 10.002 -1.315 202 HD22 LEU 26 HD22 LEU 26 -5.898 10.838 0.240 203 HD23 LEU 26 HD23 LEU 26 -5.577 11.738 -1.242 204 H LEU 27 H LEU 27 -5.596 7.087 1.132 205 HA LEU 27 HA LEU 27 -4.374 5.571 3.312 206 HB2 LEU 27 HB2 LEU 27 -6.825 5.569 3.144 207 HB3 LEU 27 HB3 LEU 27 -6.720 4.913 1.522 208 HG LEU 27 HG LEU 27 -5.661 2.867 2.466 209 HD11 LEU 27 HD11 LEU 27 -4.760 3.879 4.509 210 HD12 LEU 27 HD12 LEU 27 -6.401 4.088 5.122 211 HD13 LEU 27 HD13 LEU 27 -5.757 2.466 4.858 212 HD21 LEU 27 HD21 LEU 27 -7.715 1.936 3.373 213 HD22 LEU 27 HD22 LEU 27 -8.358 3.559 3.621 214 HD23 LEU 27 HD23 LEU 27 -8.062 2.969 1.986 215 H PHE 28 H PHE 28 -2.889 4.047 2.966 216 HA PHE 28 HA PHE 28 -2.500 3.088 0.205 217 HB2 PHE 28 HB2 PHE 28 -0.585 4.411 0.970 218 HB3 PHE 28 HB3 PHE 28 -0.445 3.409 2.412 219 HD1 PHE 28 HD1 PHE 28 -0.088 3.448 -1.254 220 HD2 PHE 28 HD2 PHE 28 0.691 1.331 2.353 221 HE1 PHE 28 HE1 PHE 28 1.419 1.933 -2.474 222 HE2 PHE 28 HE2 PHE 28 2.201 -0.185 1.142 223 HZ PHE 28 HZ PHE 28 2.565 0.113 -1.274 224 H VAL 29 H VAL 29 -3.395 1.125 0.077 225 HA VAL 29 HA VAL 29 -3.283 -0.631 2.421 226 HB VAL 29 HB VAL 29 -4.897 -0.970 -0.113 227 HG11 VAL 29 HG11 VAL 29 -5.043 -2.435 2.520 228 HG12 VAL 29 HG12 VAL 29 -6.122 -2.670 1.145 229 HG13 VAL 29 HG13 VAL 29 -4.413 -3.085 1.007 230 HG21 VAL 29 HG21 VAL 29 -6.824 -0.309 1.248 231 HG22 VAL 29 HG22 VAL 29 -5.750 0.017 2.607 232 HG23 VAL 29 HG23 VAL 29 -5.630 0.985 1.138 233 H ASP 30 H ASP 30 -1.779 -2.107 2.518 234 HA ASP 30 HA ASP 30 -0.389 -3.001 0.118 235 HB2 ASP 30 HB2 ASP 30 0.954 -2.436 2.099 236 HB3 ASP 30 HB3 ASP 30 0.088 -3.642 3.041 237 H CYS 31 H CYS 31 -1.514 -4.458 -0.987 238 HA CYS 31 HA CYS 31 -2.708 -6.704 0.490 239 HB2 CYS 31 HB2 CYS 31 -3.349 -5.619 -2.258 240 HB3 CYS 31 HB3 CYS 31 -4.020 -7.111 -1.606 241 HG CYS 31 HG CYS 31 -4.588 -4.878 0.642 242 H PHE 32 H PHE 32 -1.441 -8.400 0.529 243 HA PHE 32 HA PHE 32 -0.008 -9.129 -1.934 244 HB2 PHE 32 HB2 PHE 32 1.864 -9.929 -0.635 245 HB3 PHE 32 HB3 PHE 32 1.541 -8.265 -0.163 246 HD1 PHE 32 HD1 PHE 32 0.173 -7.887 1.972 247 HD2 PHE 32 HD2 PHE 32 1.962 -11.611 0.954 248 HE1 PHE 32 HE1 PHE 32 0.022 -8.602 4.321 249 HE2 PHE 32 HE2 PHE 32 1.815 -12.329 3.300 250 HZ PHE 32 HZ PHE 32 0.841 -10.827 4.984 251 H THR 33 H THR 33 0.404 -11.465 -2.105 252 HA THR 33 HA THR 33 -1.800 -12.981 -0.896 253 HB THR 33 HB THR 33 -0.031 -14.007 -3.113 254 HG1 THR 33 HG1 THR 33 -1.071 -11.816 -3.520 255 HG21 THR 33 HG21 THR 33 -1.590 -15.578 -2.065 256 HG22 THR 33 HG22 THR 33 -2.931 -14.478 -2.389 257 HG23 THR 33 HG23 THR 33 -2.069 -15.238 -3.727 258 H THR 34 H THR 34 -1.230 -15.304 -0.310 259 HA THR 34 HA THR 34 0.773 -15.230 1.667 260 HB THR 34 HB THR 34 -1.236 -16.621 1.876 261 HG1 THR 34 HG1 THR 34 -0.149 -18.520 2.659 262 HG21 THR 34 HG21 THR 34 0.032 -18.317 -0.271 263 HG22 THR 34 HG22 THR 34 -1.395 -18.756 0.669 264 HG23 THR 34 HG23 THR 34 -1.450 -17.374 -0.427 265 H TRP 35 H TRP 35 1.024 -15.862 -1.662 266 HA TRP 35 HA TRP 35 3.157 -17.700 -1.718 267 HB2 TRP 35 HB2 TRP 35 2.583 -15.479 -3.696 268 HB3 TRP 35 HB3 TRP 35 3.560 -16.913 -3.990 269 HD1 TRP 35 HD1 TRP 35 0.111 -15.636 -4.336 270 HE1 TRP 35 HE1 TRP 35 -1.501 -17.525 -5.020 271 HE3 TRP 35 HE3 TRP 35 3.161 -19.645 -3.457 272 HZ2 TRP 35 HZ2 TRP 35 -1.469 -20.341 -5.165 273 HZ3 TRP 35 HZ3 TRP 35 2.289 -21.905 -3.894 274 HH2 TRP 35 HH2 TRP 35 0.021 -22.244 -4.729 275 H CYS 36 H CYS 36 5.389 -17.381 -1.865 276 HA CYS 36 HA CYS 36 6.301 -15.013 -0.418 277 HB2 CYS 36 HB2 CYS 36 7.809 -17.534 -1.139 278 HB3 CYS 36 HB3 CYS 36 8.335 -16.288 -0.013 279 HG CYS 36 HG CYS 36 5.365 -17.628 0.757 280 H GLY 37 H GLY 37 8.579 -14.224 -1.080 281 HA2 GLY 37 HA2 GLY 37 10.131 -14.247 -3.045 282 HA3 GLY 37 HA3 GLY 37 8.690 -14.081 -4.032 283 HA PRO 38 HA PRO 38 9.808 -9.907 -4.507 284 HB2 PRO 38 HB2 PRO 38 7.215 -8.911 -4.853 285 HB3 PRO 38 HB3 PRO 38 8.278 -9.521 -6.120 286 HG2 PRO 38 HG2 PRO 38 6.059 -10.884 -4.678 287 HG3 PRO 38 HG3 PRO 38 6.566 -11.040 -6.370 288 HD2 PRO 38 HD2 PRO 38 7.138 -12.932 -4.572 289 HD3 PRO 38 HD3 PRO 38 8.302 -12.495 -5.842 290 H CYS 39 H CYS 39 7.028 -10.499 -2.359 291 HA CYS 39 HA CYS 39 6.962 -7.919 -1.258 292 HB2 CYS 39 HB2 CYS 39 5.974 -10.518 -0.074 293 HB3 CYS 39 HB3 CYS 39 5.521 -8.904 0.474 294 HG CYS 39 HG CYS 39 3.900 -10.677 -1.588 295 H LYS 40 H LYS 40 8.885 -10.730 -0.424 296 HA LYS 40 HA LYS 40 9.725 -9.615 2.100 297 HB2 LYS 40 HB2 LYS 40 9.636 -12.070 1.726 298 HB3 LYS 40 HB3 LYS 40 10.939 -11.912 0.554 299 HG2 LYS 40 HG2 LYS 40 11.744 -12.674 2.740 300 HG3 LYS 40 HG3 LYS 40 12.444 -11.121 2.281 301 HD2 LYS 40 HD2 LYS 40 10.671 -10.014 3.668 302 HD3 LYS 40 HD3 LYS 40 10.203 -11.616 4.238 303 HE2 LYS 40 HE2 LYS 40 12.952 -10.412 4.539 304 HE3 LYS 40 HE3 LYS 40 11.716 -10.419 5.795 305 HZ1 LYS 40 HZ1 LYS 40 13.072 -12.776 4.598 306 HZ2 LYS 40 HZ2 LYS 40 13.190 -12.215 6.198 307 HZ3 LYS 40 HZ3 LYS 40 11.735 -12.885 5.640 308 H ARG 41 H ARG 41 10.957 -9.777 -1.186 309 HA ARG 41 HA ARG 41 13.522 -8.742 -0.682 310 HB2 ARG 41 HB2 ARG 41 11.790 -8.553 -3.150 311 HB3 ARG 41 HB3 ARG 41 13.482 -8.098 -3.089 312 HG2 ARG 41 HG2 ARG 41 13.986 -10.452 -2.383 313 HG3 ARG 41 HG3 ARG 41 12.309 -10.838 -2.769 314 HD2 ARG 41 HD2 ARG 41 14.263 -9.601 -4.700 315 HD3 ARG 41 HD3 ARG 41 13.905 -11.321 -4.612 316 HE ARG 41 HE ARG 41 11.715 -10.877 -5.424 317 HH11 ARG 41 HH11 ARG 41 13.855 -8.095 -5.426 318 HH12 ARG 41 HH12 ARG 41 12.880 -7.177 -6.538 319 HH21 ARG 41 HH21 ARG 41 10.454 -9.699 -6.947 320 HH22 ARG 41 HH22 ARG 41 10.947 -8.090 -7.404 321 H LEU 42 H LEU 42 10.405 -7.235 -1.267 322 HA LEU 42 HA LEU 42 11.157 -4.570 -1.511 323 HB2 LEU 42 HB2 LEU 42 8.731 -5.707 -0.110 324 HB3 LEU 42 HB3 LEU 42 8.916 -4.037 -0.612 325 HG LEU 42 HG LEU 42 8.812 -6.415 -2.468 326 HD11 LEU 42 HD11 LEU 42 6.771 -4.278 -1.870 327 HD12 LEU 42 HD12 LEU 42 6.627 -5.518 -3.116 328 HD13 LEU 42 HD13 LEU 42 6.663 -5.979 -1.414 329 HD21 LEU 42 HD21 LEU 42 10.190 -4.609 -3.350 330 HD22 LEU 42 HD22 LEU 42 8.670 -4.729 -4.237 331 HD23 LEU 42 HD23 LEU 42 8.894 -3.455 -3.040 332 H SER 43 H SER 43 10.531 -6.485 1.401 333 HA SER 43 HA SER 43 10.773 -4.463 3.293 334 HB2 SER 43 HB2 SER 43 11.541 -7.369 3.632 335 HB3 SER 43 HB3 SER 43 11.079 -6.243 4.910 336 HG SER 43 HG SER 43 9.054 -6.591 4.456 337 H LYS 44 H LYS 44 13.234 -6.202 1.541 338 HA LYS 44 HA LYS 44 15.344 -5.364 3.345 339 HB2 LYS 44 HB2 LYS 44 15.340 -6.973 0.800 340 HB3 LYS 44 HB3 LYS 44 16.823 -6.492 1.613 341 HG2 LYS 44 HG2 LYS 44 14.628 -8.168 2.809 342 HG3 LYS 44 HG3 LYS 44 16.176 -8.763 2.202 343 HD2 LYS 44 HD2 LYS 44 17.325 -7.335 3.876 344 HD3 LYS 44 HD3 LYS 44 15.747 -6.878 4.520 345 HE2 LYS 44 HE2 LYS 44 16.669 -8.637 5.878 346 HE3 LYS 44 HE3 LYS 44 15.287 -9.262 4.983 347 HZ1 LYS 44 HZ1 LYS 44 18.147 -9.665 4.276 348 HZ2 LYS 44 HZ2 LYS 44 17.113 -10.826 4.951 349 HZ3 LYS 44 HZ3 LYS 44 16.830 -10.247 3.383 350 H VAL 45 H VAL 45 13.884 -4.181 0.426 351 HA VAL 45 HA VAL 45 16.254 -2.489 -0.035 352 HB VAL 45 HB VAL 45 14.029 -3.110 -1.981 353 HG11 VAL 45 HG11 VAL 45 15.079 -0.949 -2.397 354 HG12 VAL 45 HG12 VAL 45 16.671 -1.708 -2.385 355 HG13 VAL 45 HG13 VAL 45 15.512 -2.108 -3.654 356 HG21 VAL 45 HG21 VAL 45 15.694 -4.511 -3.124 357 HG22 VAL 45 HG22 VAL 45 16.833 -4.210 -1.811 358 HG23 VAL 45 HG23 VAL 45 15.341 -5.097 -1.497 359 H VAL 46 H VAL 46 12.668 -2.244 -0.252 360 HA VAL 46 HA VAL 46 12.934 0.644 -0.274 361 HB VAL 46 HB VAL 46 11.302 -0.363 -1.780 362 HG11 VAL 46 HG11 VAL 46 9.213 -1.311 -0.955 363 HG12 VAL 46 HG12 VAL 46 10.607 -2.273 -0.466 364 HG13 VAL 46 HG13 VAL 46 9.822 -1.206 0.697 365 HG21 VAL 46 HG21 VAL 46 10.947 1.919 -1.050 366 HG22 VAL 46 HG22 VAL 46 9.401 1.097 -1.263 367 HG23 VAL 46 HG23 VAL 46 10.050 1.348 0.357 368 H PHE 47 H PHE 47 11.901 -1.861 1.932 369 HA PHE 47 HA PHE 47 10.897 0.003 3.900 370 HB2 PHE 47 HB2 PHE 47 11.432 -2.968 3.999 371 HB3 PHE 47 HB3 PHE 47 10.837 -2.056 5.377 372 HD1 PHE 47 HD1 PHE 47 10.022 -2.993 1.881 373 HD2 PHE 47 HD2 PHE 47 8.569 -1.639 5.638 374 HE1 PHE 47 HE1 PHE 47 7.715 -3.329 1.101 375 HE2 PHE 47 HE2 PHE 47 6.258 -1.964 4.865 376 HZ PHE 47 HZ PHE 47 5.827 -2.813 2.595 377 H LYS 48 H LYS 48 13.811 -0.066 2.902 378 HA LYS 48 HA LYS 48 15.138 -0.467 5.491 379 HB2 LYS 48 HB2 LYS 48 16.012 -1.805 3.625 380 HB3 LYS 48 HB3 LYS 48 16.332 -0.333 2.718 381 HG2 LYS 48 HG2 LYS 48 17.965 0.363 4.361 382 HG3 LYS 48 HG3 LYS 48 17.599 -1.052 5.350 383 HD2 LYS 48 HD2 LYS 48 19.626 -1.443 4.098 384 HD3 LYS 48 HD3 LYS 48 18.349 -2.501 3.499 385 HE2 LYS 48 HE2 LYS 48 19.631 -1.561 1.659 386 HE3 LYS 48 HE3 LYS 48 17.969 -0.978 1.621 387 HZ1 LYS 48 HZ1 LYS 48 20.093 0.600 2.934 388 HZ2 LYS 48 HZ2 LYS 48 19.864 0.684 1.258 389 HZ3 LYS 48 HZ3 LYS 48 18.608 1.125 2.297 390 H ASP 49 H ASP 49 14.565 1.872 2.946 391 HA ASP 49 HA ASP 49 16.523 3.726 3.919 392 HB2 ASP 49 HB2 ASP 49 15.923 3.668 1.542 393 HB3 ASP 49 HB3 ASP 49 14.282 4.174 1.939 394 H SER 50 H SER 50 16.325 5.171 5.447 395 HA SER 50 HA SER 50 14.040 5.233 7.108 396 HB2 SER 50 HB2 SER 50 16.375 7.156 7.108 397 HB3 SER 50 HB3 SER 50 15.299 6.786 8.457 398 HG SER 50 HG SER 50 16.197 4.808 8.665 399 H LEU 51 H LEU 51 15.153 7.304 4.509 400 HA LEU 51 HA LEU 51 13.437 9.499 5.080 401 HB2 LEU 51 HB2 LEU 51 15.410 9.703 3.623 402 HB3 LEU 51 HB3 LEU 51 14.655 8.646 2.451 403 HG LEU 51 HG LEU 51 12.813 10.354 2.241 404 HD11 LEU 51 HD11 LEU 51 14.773 12.063 3.763 405 HD12 LEU 51 HD12 LEU 51 13.303 12.629 2.967 406 HD13 LEU 51 HD13 LEU 51 13.195 11.528 4.340 407 HD21 LEU 51 HD21 LEU 51 14.566 10.118 0.573 408 HD22 LEU 51 HD22 LEU 51 14.112 11.810 0.774 409 HD23 LEU 51 HD23 LEU 51 15.604 11.205 1.494 410 H VAL 52 H VAL 52 13.245 6.846 2.714 411 HA VAL 52 HA VAL 52 10.662 7.430 1.788 412 HB VAL 52 HB VAL 52 12.117 4.778 1.891 413 HG11 VAL 52 HG11 VAL 52 9.702 4.429 1.684 414 HG12 VAL 52 HG12 VAL 52 9.663 5.529 0.306 415 HG13 VAL 52 HG13 VAL 52 10.545 4.006 0.196 416 HG21 VAL 52 HG21 VAL 52 11.770 6.788 -0.331 417 HG22 VAL 52 HG22 VAL 52 13.251 6.483 0.575 418 HG23 VAL 52 HG23 VAL 52 12.585 5.230 -0.470 419 H ALA 53 H ALA 53 11.794 5.347 4.407 420 HA ALA 53 HA ALA 53 9.383 4.217 5.199 421 HB1 ALA 53 HB1 ALA 53 11.559 3.537 6.093 422 HB2 ALA 53 HB2 ALA 53 11.668 5.058 6.979 423 HB3 ALA 53 HB3 ALA 53 10.409 3.892 7.382 424 H ASP 54 H ASP 54 10.814 7.318 6.135 425 HA ASP 54 HA ASP 54 8.707 8.051 7.918 426 HB2 ASP 54 HB2 ASP 54 10.928 9.018 8.149 427 HB3 ASP 54 HB3 ASP 54 10.827 9.709 6.534 428 H TYR 55 H TYR 55 9.472 8.773 4.549 429 HA TYR 55 HA TYR 55 7.633 10.792 4.066 430 HB2 TYR 55 HB2 TYR 55 9.454 10.106 2.521 431 HB3 TYR 55 HB3 TYR 55 8.540 8.659 2.118 432 HD1 TYR 55 HD1 TYR 55 8.174 12.378 2.133 433 HD2 TYR 55 HD2 TYR 55 7.175 8.702 0.241 434 HE1 TYR 55 HE1 TYR 55 7.040 13.615 0.338 435 HE2 TYR 55 HE2 TYR 55 6.034 9.929 -1.552 436 HH TYR 55 HH TYR 55 5.001 12.075 -1.942 437 H PHE 56 H PHE 56 7.201 7.277 3.633 438 HA PHE 56 HA PHE 56 4.445 7.609 2.906 439 HB2 PHE 56 HB2 PHE 56 6.193 5.220 3.424 440 HB3 PHE 56 HB3 PHE 56 4.460 5.048 3.178 441 HD1 PHE 56 HD1 PHE 56 7.634 6.013 1.615 442 HD2 PHE 56 HD2 PHE 56 3.472 5.365 1.024 443 HE1 PHE 56 HE1 PHE 56 7.980 6.058 -0.820 444 HE2 PHE 56 HE2 PHE 56 3.806 5.408 -1.414 445 HZ PHE 56 HZ PHE 56 6.063 5.754 -2.340 446 H ASN 57 H ASN 57 6.206 6.965 5.844 447 HA ASN 57 HA ASN 57 4.140 5.904 7.424 448 HB2 ASN 57 HB2 ASN 57 6.579 5.987 8.037 449 HB3 ASN 57 HB3 ASN 57 6.381 7.701 8.376 450 HD21 ASN 57 HD21 ASN 57 5.959 4.513 9.514 451 HD22 ASN 57 HD22 ASN 57 5.310 4.916 11.072 452 H ARG 58 H ARG 58 5.159 9.249 6.867 453 HA ARG 58 HA ARG 58 3.077 10.226 8.643 454 HB2 ARG 58 HB2 ARG 58 5.187 11.731 7.114 455 HB3 ARG 58 HB3 ARG 58 4.093 12.437 8.288 456 HG2 ARG 58 HG2 ARG 58 6.295 10.452 8.758 457 HG3 ARG 58 HG3 ARG 58 6.180 12.108 9.355 458 HD2 ARG 58 HD2 ARG 58 4.376 9.819 10.116 459 HD3 ARG 58 HD3 ARG 58 5.675 10.490 11.089 460 HE ARG 58 HE ARG 58 4.354 12.609 11.093 461 HH11 ARG 58 HH11 ARG 58 2.780 9.524 10.568 462 HH12 ARG 58 HH12 ARG 58 1.249 10.039 11.209 463 HH21 ARG 58 HH21 ARG 58 2.342 13.302 11.945 464 HH22 ARG 58 HH22 ARG 58 0.998 12.191 11.989 465 H HIS 59 H HIS 59 3.716 10.128 5.175 466 HA HIS 59 HA HIS 59 1.683 12.155 4.703 467 HB2 HIS 59 HB2 HIS 59 3.568 10.715 2.846 468 HB3 HIS 59 HB3 HIS 59 2.303 11.793 2.267 469 HD1 HIS 59 HD1 HIS 59 2.969 14.163 2.011 470 HD2 HIS 59 HD2 HIS 59 5.405 12.143 4.717 471 HE1 HIS 59 HE1 HIS 59 4.762 15.801 2.671 472 HE2 HIS 59 HE2 HIS 59 6.108 14.621 4.442 473 H PHE 60 H PHE 60 1.822 8.743 4.816 474 HA PHE 60 HA PHE 60 -0.853 8.638 3.605 475 HB2 PHE 60 HB2 PHE 60 1.403 6.681 3.092 476 HB3 PHE 60 HB3 PHE 60 -0.265 6.430 2.596 477 HD1 PHE 60 HD1 PHE 60 -1.256 7.855 0.848 478 HD2 PHE 60 HD2 PHE 60 2.867 8.093 1.870 479 HE1 PHE 60 HE1 PHE 60 -0.804 9.024 -1.268 480 HE2 PHE 60 HE2 PHE 60 3.329 9.258 -0.249 481 HZ PHE 60 HZ PHE 60 1.492 9.724 -1.821 482 H VAL 61 H VAL 61 -2.185 6.912 4.382 483 HA VAL 61 HA VAL 61 -1.420 5.903 7.008 484 HB VAL 61 HB VAL 61 -3.999 5.505 5.471 485 HG11 VAL 61 HG11 VAL 61 -4.903 4.751 7.632 486 HG12 VAL 61 HG12 VAL 61 -3.607 3.706 7.053 487 HG13 VAL 61 HG13 VAL 61 -3.290 4.874 8.336 488 HG21 VAL 61 HG21 VAL 61 -3.631 7.838 6.080 489 HG22 VAL 61 HG22 VAL 61 -4.947 7.134 7.018 490 HG23 VAL 61 HG23 VAL 61 -3.362 7.362 7.757 491 H ASN 62 H ASN 62 -0.172 4.166 7.000 492 HA ASN 62 HA ASN 62 -0.149 2.328 4.788 493 HB2 ASN 62 HB2 ASN 62 1.320 2.375 7.431 494 HB3 ASN 62 HB3 ASN 62 1.552 1.123 6.216 495 HD21 ASN 62 HD21 ASN 62 3.373 3.166 7.340 496 HD22 ASN 62 HD22 ASN 62 4.001 4.015 5.973 497 H LEU 63 H LEU 63 -1.900 1.066 4.629 498 HA LEU 63 HA LEU 63 -2.849 -0.310 7.052 499 HB2 LEU 63 HB2 LEU 63 -4.587 0.980 6.014 500 HB3 LEU 63 HB3 LEU 63 -4.204 0.330 4.434 501 HG LEU 63 HG LEU 63 -5.022 -1.883 5.149 502 HD11 LEU 63 HD11 LEU 63 -5.784 -0.467 7.698 503 HD12 LEU 63 HD12 LEU 63 -6.257 -2.106 7.248 504 HD13 LEU 63 HD13 LEU 63 -4.557 -1.724 7.529 505 HD21 LEU 63 HD21 LEU 63 -6.533 -0.318 4.038 506 HD22 LEU 63 HD22 LEU 63 -7.395 -1.316 5.210 507 HD23 LEU 63 HD23 LEU 63 -6.993 0.357 5.602 508 H LYS 64 H LYS 64 -2.416 -2.398 7.241 509 HA LYS 64 HA LYS 64 -1.557 -3.872 4.839 510 HB2 LYS 64 HB2 LYS 64 0.119 -3.760 6.625 511 HB3 LYS 64 HB3 LYS 64 -1.037 -4.431 7.767 512 HG2 LYS 64 HG2 LYS 64 -1.108 -6.500 6.407 513 HG3 LYS 64 HG3 LYS 64 0.158 -5.820 5.379 514 HD2 LYS 64 HD2 LYS 64 1.661 -5.685 7.283 515 HD3 LYS 64 HD3 LYS 64 0.392 -6.291 8.348 516 HE2 LYS 64 HE2 LYS 64 0.355 -8.398 7.118 517 HE3 LYS 64 HE3 LYS 64 1.604 -7.792 6.029 518 HZ1 LYS 64 HZ1 LYS 64 1.887 -8.263 8.950 519 HZ2 LYS 64 HZ2 LYS 64 2.589 -9.185 7.710 520 HZ3 LYS 64 HZ3 LYS 64 3.083 -7.580 7.962 521 H MET 65 H MET 65 -2.891 -5.406 4.070 522 HA MET 65 HA MET 65 -4.789 -6.650 5.930 523 HB2 MET 65 HB2 MET 65 -5.510 -5.447 3.257 524 HB3 MET 65 HB3 MET 65 -6.563 -6.515 4.172 525 HG2 MET 65 HG2 MET 65 -6.488 -4.871 6.041 526 HG3 MET 65 HG3 MET 65 -5.595 -3.784 4.978 527 HE1 MET 65 HE1 MET 65 -8.997 -5.600 5.664 528 HE2 MET 65 HE2 MET 65 -9.916 -5.195 4.215 529 HE3 MET 65 HE3 MET 65 -8.513 -6.260 4.101 530 H ASP 66 H ASP 66 -5.129 -8.770 5.623 531 HA ASP 66 HA ASP 66 -3.599 -10.099 3.526 532 HB2 ASP 66 HB2 ASP 66 -3.944 -10.859 6.066 533 HB3 ASP 66 HB3 ASP 66 -5.367 -11.626 5.360 534 H MET 67 H MET 67 -4.603 -11.724 2.191 535 HA MET 67 HA MET 67 -7.097 -10.735 1.105 536 HB2 MET 67 HB2 MET 67 -5.073 -12.766 0.248 537 HB3 MET 67 HB3 MET 67 -6.581 -12.536 -0.638 538 HG2 MET 67 HG2 MET 67 -5.966 -10.146 -0.934 539 HG3 MET 67 HG3 MET 67 -4.413 -10.496 -0.179 540 HE1 MET 67 HE1 MET 67 -3.528 -9.989 -3.969 541 HE2 MET 67 HE2 MET 67 -4.761 -9.140 -3.034 542 HE3 MET 67 HE3 MET 67 -3.184 -9.474 -2.318 543 H GLU 68 H GLU 68 -6.312 -12.916 3.450 544 HA GLU 68 HA GLU 68 -8.607 -14.678 2.840 545 HB2 GLU 68 HB2 GLU 68 -6.336 -15.193 4.769 546 HB3 GLU 68 HB3 GLU 68 -7.547 -16.345 4.224 547 HG2 GLU 68 HG2 GLU 68 -5.643 -15.045 2.318 548 HG3 GLU 68 HG3 GLU 68 -5.203 -16.479 3.236 549 H LYS 69 H LYS 69 -7.511 -12.188 4.765 550 HA LYS 69 HA LYS 69 -9.163 -12.920 7.067 551 HB2 LYS 69 HB2 LYS 69 -6.913 -12.369 7.676 552 HB3 LYS 69 HB3 LYS 69 -6.947 -10.901 6.709 553 HG2 LYS 69 HG2 LYS 69 -7.093 -10.344 9.041 554 HG3 LYS 69 HG3 LYS 69 -8.619 -9.959 8.249 555 HD2 LYS 69 HD2 LYS 69 -9.580 -12.047 9.107 556 HD3 LYS 69 HD3 LYS 69 -8.051 -12.410 9.913 557 HE2 LYS 69 HE2 LYS 69 -8.263 -10.392 11.255 558 HE3 LYS 69 HE3 LYS 69 -9.760 -9.977 10.426 559 HZ1 LYS 69 HZ1 LYS 69 -9.333 -12.384 12.116 560 HZ2 LYS 69 HZ2 LYS 69 -10.186 -10.988 12.572 561 HZ3 LYS 69 HZ3 LYS 69 -10.779 -11.970 11.323 562 H GLY 70 H GLY 70 -11.148 -12.145 7.127 563 HA2 GLY 70 HA2 GLY 70 -12.810 -10.580 7.305 564 HA3 GLY 70 HA3 GLY 70 -11.574 -9.342 7.163 565 H GLU 71 H GLU 71 -11.965 -7.999 5.589 566 HA GLU 71 HA GLU 71 -13.615 -8.873 3.347 567 HB2 GLU 71 HB2 GLU 71 -13.679 -6.414 2.792 568 HB3 GLU 71 HB3 GLU 71 -14.413 -6.860 4.324 569 HG2 GLU 71 HG2 GLU 71 -11.603 -5.832 4.121 570 HG3 GLU 71 HG3 GLU 71 -12.996 -4.768 4.289 571 H GLY 72 H GLY 72 -10.511 -9.146 3.912 572 HA2 GLY 72 HA2 GLY 72 -9.172 -7.975 1.748 573 HA3 GLY 72 HA3 GLY 72 -8.708 -9.481 2.531 574 H VAL 73 H VAL 73 -11.140 -10.868 1.958 575 HA VAL 73 HA VAL 73 -10.617 -11.861 -0.637 576 HB VAL 73 HB VAL 73 -11.555 -13.346 0.991 577 HG11 VAL 73 HG11 VAL 73 -13.946 -11.516 1.107 578 HG12 VAL 73 HG12 VAL 73 -13.803 -13.074 1.922 579 HG13 VAL 73 HG13 VAL 73 -12.740 -11.740 2.374 580 HG21 VAL 73 HG21 VAL 73 -12.199 -13.829 -1.291 581 HG22 VAL 73 HG22 VAL 73 -13.516 -14.244 -0.194 582 HG23 VAL 73 HG23 VAL 73 -13.598 -12.764 -1.149 583 H GLU 74 H GLU 74 -12.902 -9.518 0.628 584 HA GLU 74 HA GLU 74 -14.445 -9.273 -1.755 585 HB2 GLU 74 HB2 GLU 74 -15.427 -8.575 0.336 586 HB3 GLU 74 HB3 GLU 74 -14.123 -7.433 0.628 587 HG2 GLU 74 HG2 GLU 74 -14.866 -6.015 -1.129 588 HG3 GLU 74 HG3 GLU 74 -16.012 -7.225 -1.698 589 H LEU 75 H LEU 75 -11.780 -7.386 -0.346 590 HA LEU 75 HA LEU 75 -11.587 -5.522 -2.462 591 HB2 LEU 75 HB2 LEU 75 -9.431 -6.468 -0.567 592 HB3 LEU 75 HB3 LEU 75 -9.350 -5.029 -1.566 593 HG LEU 75 HG LEU 75 -11.262 -5.508 0.721 594 HD11 LEU 75 HD11 LEU 75 -10.053 -3.672 1.785 595 HD12 LEU 75 HD12 LEU 75 -8.990 -5.037 1.443 596 HD13 LEU 75 HD13 LEU 75 -8.948 -3.606 0.414 597 HD21 LEU 75 HD21 LEU 75 -10.968 -3.115 -1.087 598 HD22 LEU 75 HD22 LEU 75 -12.341 -4.220 -1.035 599 HD23 LEU 75 HD23 LEU 75 -11.979 -3.196 0.355 600 H ARG 76 H ARG 76 -10.309 -8.720 -1.971 601 HA ARG 76 HA ARG 76 -8.368 -8.819 -3.971 602 HB2 ARG 76 HB2 ARG 76 -8.824 -10.525 -2.181 603 HB3 ARG 76 HB3 ARG 76 -10.198 -11.070 -3.126 604 HG2 ARG 76 HG2 ARG 76 -8.738 -11.738 -4.930 605 HG3 ARG 76 HG3 ARG 76 -7.337 -11.101 -4.063 606 HD2 ARG 76 HD2 ARG 76 -7.794 -12.690 -2.232 607 HD3 ARG 76 HD3 ARG 76 -9.125 -13.358 -3.172 608 HE ARG 76 HE ARG 76 -6.659 -13.414 -4.612 609 HH11 ARG 76 HH11 ARG 76 -8.497 -15.035 -2.112 610 HH12 ARG 76 HH12 ARG 76 -7.750 -16.584 -2.387 611 HH21 ARG 76 HH21 ARG 76 -5.658 -15.438 -4.977 612 HH22 ARG 76 HH22 ARG 76 -6.135 -16.812 -4.025 613 H LYS 77 H LYS 77 -11.812 -9.727 -4.144 614 HA LYS 77 HA LYS 77 -11.684 -10.239 -6.965 615 HB2 LYS 77 HB2 LYS 77 -14.160 -10.519 -6.746 616 HB3 LYS 77 HB3 LYS 77 -13.219 -11.535 -5.666 617 HG2 LYS 77 HG2 LYS 77 -13.665 -10.036 -3.818 618 HG3 LYS 77 HG3 LYS 77 -14.552 -8.951 -4.888 619 HD2 LYS 77 HD2 LYS 77 -15.305 -11.818 -4.326 620 HD3 LYS 77 HD3 LYS 77 -16.024 -10.414 -3.536 621 HE2 LYS 77 HE2 LYS 77 -16.644 -9.593 -5.845 622 HE3 LYS 77 HE3 LYS 77 -16.167 -11.182 -6.443 623 HZ1 LYS 77 HZ1 LYS 77 -17.848 -12.207 -5.110 624 HZ2 LYS 77 HZ2 LYS 77 -18.220 -10.741 -4.349 625 HZ3 LYS 77 HZ3 LYS 77 -18.576 -10.955 -5.990 626 H LYS 78 H LYS 78 -12.581 -7.552 -4.936 627 HA LYS 78 HA LYS 78 -14.117 -6.096 -6.785 628 HB2 LYS 78 HB2 LYS 78 -14.132 -5.593 -4.401 629 HB3 LYS 78 HB3 LYS 78 -12.439 -5.128 -4.461 630 HG2 LYS 78 HG2 LYS 78 -13.020 -3.246 -5.926 631 HG3 LYS 78 HG3 LYS 78 -14.721 -3.709 -5.826 632 HD2 LYS 78 HD2 LYS 78 -14.757 -3.290 -3.460 633 HD3 LYS 78 HD3 LYS 78 -13.013 -3.024 -3.436 634 HE2 LYS 78 HE2 LYS 78 -14.071 -0.892 -3.352 635 HE3 LYS 78 HE3 LYS 78 -13.367 -1.076 -4.954 636 HZ1 LYS 78 HZ1 LYS 78 -16.229 -1.373 -4.221 637 HZ2 LYS 78 HZ2 LYS 78 -15.535 -0.146 -5.160 638 HZ3 LYS 78 HZ3 LYS 78 -15.603 -1.731 -5.754 639 H TYR 79 H TYR 79 -10.658 -6.010 -6.052 640 HA TYR 79 HA TYR 79 -10.184 -4.082 -8.188 641 HB2 TYR 79 HB2 TYR 79 -8.373 -5.361 -6.134 642 HB3 TYR 79 HB3 TYR 79 -7.799 -4.253 -7.382 643 HD1 TYR 79 HD1 TYR 79 -9.971 -4.534 -4.398 644 HD2 TYR 79 HD2 TYR 79 -8.149 -1.901 -7.197 645 HE1 TYR 79 HE1 TYR 79 -10.616 -2.617 -3.000 646 HE2 TYR 79 HE2 TYR 79 -8.795 0.023 -5.811 647 HH TYR 79 HH TYR 79 -10.191 -0.375 -2.626 648 H GLY 80 H GLY 80 -9.829 -7.500 -7.537 649 HA2 GLY 80 HA2 GLY 80 -9.716 -9.195 -9.121 650 HA3 GLY 80 HA3 GLY 80 -9.507 -7.977 -10.369 651 H VAL 81 H VAL 81 -7.815 -9.597 -7.716 652 HA VAL 81 HA VAL 81 -5.246 -8.725 -8.646 653 HB VAL 81 HB VAL 81 -5.668 -9.164 -6.255 654 HG11 VAL 81 HG11 VAL 81 -7.132 -11.084 -6.454 655 HG12 VAL 81 HG12 VAL 81 -5.804 -12.055 -7.087 656 HG13 VAL 81 HG13 VAL 81 -5.751 -11.464 -5.426 657 HG21 VAL 81 HG21 VAL 81 -3.588 -10.347 -5.778 658 HG22 VAL 81 HG22 VAL 81 -3.528 -10.927 -7.443 659 HG23 VAL 81 HG23 VAL 81 -3.379 -9.202 -7.104 660 H HIS 82 H HIS 82 -3.854 -9.708 -9.960 661 HA HIS 82 HA HIS 82 -4.248 -12.537 -10.635 662 HB2 HIS 82 HB2 HIS 82 -3.821 -10.294 -12.624 663 HB3 HIS 82 HB3 HIS 82 -3.651 -12.000 -13.019 664 HD1 HIS 82 HD1 HIS 82 -6.053 -9.330 -13.065 665 HD2 HIS 82 HD2 HIS 82 -6.207 -13.452 -12.529 666 HE1 HIS 82 HE1 HIS 82 -8.446 -9.983 -13.504 667 HE2 HIS 82 HE2 HIS 82 -8.461 -12.506 -13.379 668 H ALA 83 H ALA 83 -2.440 -10.916 -8.925 669 HA ALA 83 HA ALA 83 0.117 -11.878 -9.970 670 HB1 ALA 83 HB1 ALA 83 -0.336 -9.072 -8.936 671 HB2 ALA 83 HB2 ALA 83 1.218 -9.761 -9.406 672 HB3 ALA 83 HB3 ALA 83 -0.040 -9.515 -10.618 673 H TYR 84 H TYR 84 1.777 -11.024 -7.960 674 HA TYR 84 HA TYR 84 0.650 -12.382 -5.630 675 HB2 TYR 84 HB2 TYR 84 3.477 -11.384 -6.019 676 HB3 TYR 84 HB3 TYR 84 2.906 -12.431 -4.727 677 HD1 TYR 84 HD1 TYR 84 1.540 -14.581 -5.797 678 HD2 TYR 84 HD2 TYR 84 4.748 -12.456 -7.608 679 HE1 TYR 84 HE1 TYR 84 2.069 -16.557 -7.160 680 HE2 TYR 84 HE2 TYR 84 5.283 -14.424 -8.982 681 HH TYR 84 HH TYR 84 3.193 -17.060 -9.316 682 HA PRO 85 HA PRO 85 1.341 -8.161 -3.692 683 HB2 PRO 85 HB2 PRO 85 3.072 -6.365 -4.712 684 HB3 PRO 85 HB3 PRO 85 3.612 -7.776 -3.797 685 HG2 PRO 85 HG2 PRO 85 3.859 -7.215 -6.665 686 HG3 PRO 85 HG3 PRO 85 4.735 -8.389 -5.672 687 HD2 PRO 85 HD2 PRO 85 2.439 -8.813 -7.402 688 HD3 PRO 85 HD3 PRO 85 3.442 -10.017 -6.569 689 H THR 86 H THR 86 0.146 -6.258 -3.668 690 HA THR 86 HA THR 86 -0.347 -4.858 -6.170 691 HB THR 86 HB THR 86 -2.661 -5.801 -4.460 692 HG1 THR 86 HG1 THR 86 -1.298 -7.108 -6.352 693 HG21 THR 86 HG21 THR 86 -2.577 -4.366 -7.119 694 HG22 THR 86 HG22 THR 86 -4.035 -4.923 -6.298 695 HG23 THR 86 HG23 THR 86 -3.045 -3.653 -5.574 696 H LEU 87 H LEU 87 -0.076 -2.764 -5.793 697 HA LEU 87 HA LEU 87 -0.363 -1.773 -3.048 698 HB2 LEU 87 HB2 LEU 87 1.014 -0.608 -5.466 699 HB3 LEU 87 HB3 LEU 87 0.796 0.276 -3.972 700 HG LEU 87 HG LEU 87 2.114 -1.563 -2.828 701 HD11 LEU 87 HD11 LEU 87 2.776 -2.287 -5.682 702 HD12 LEU 87 HD12 LEU 87 3.600 -2.900 -4.247 703 HD13 LEU 87 HD13 LEU 87 1.903 -3.296 -4.527 704 HD21 LEU 87 HD21 LEU 87 3.477 0.075 -4.956 705 HD22 LEU 87 HD22 LEU 87 3.044 0.627 -3.340 706 HD23 LEU 87 HD23 LEU 87 4.256 -0.637 -3.545 707 H LEU 88 H LEU 88 -2.185 -0.790 -2.529 708 HA LEU 88 HA LEU 88 -3.842 0.307 -4.690 709 HB2 LEU 88 HB2 LEU 88 -4.548 -0.534 -1.883 710 HB3 LEU 88 HB3 LEU 88 -5.664 0.289 -2.950 711 HG LEU 88 HG LEU 88 -6.253 -1.974 -3.078 712 HD11 LEU 88 HD11 LEU 88 -5.754 -2.614 -5.374 713 HD12 LEU 88 HD12 LEU 88 -6.126 -0.894 -5.255 714 HD13 LEU 88 HD13 LEU 88 -4.455 -1.425 -5.431 715 HD21 LEU 88 HD21 LEU 88 -4.277 -2.912 -2.001 716 HD22 LEU 88 HD22 LEU 88 -4.672 -3.790 -3.480 717 HD23 LEU 88 HD23 LEU 88 -3.337 -2.637 -3.467 718 H PHE 89 H PHE 89 -4.363 2.409 -4.795 719 HA PHE 89 HA PHE 89 -3.534 4.138 -2.558 720 HB2 PHE 89 HB2 PHE 89 -3.651 4.812 -5.508 721 HB3 PHE 89 HB3 PHE 89 -3.205 5.930 -4.227 722 HD1 PHE 89 HD1 PHE 89 -1.098 5.573 -2.970 723 HD2 PHE 89 HD2 PHE 89 -2.102 3.276 -6.407 724 HE1 PHE 89 HE1 PHE 89 1.250 4.878 -3.186 725 HE2 PHE 89 HE2 PHE 89 0.245 2.575 -6.628 726 HZ PHE 89 HZ PHE 89 1.922 3.374 -5.015 727 H ILE 90 H ILE 90 -5.305 4.667 -1.456 728 HA ILE 90 HA ILE 90 -7.809 5.074 -2.940 729 HB ILE 90 HB ILE 90 -7.353 4.319 -0.052 730 HG12 ILE 90 HG12 ILE 90 -7.117 2.463 -1.610 731 HG13 ILE 90 HG13 ILE 90 -8.611 2.283 -0.696 732 HG21 ILE 90 HG21 ILE 90 -9.795 4.241 0.181 733 HG22 ILE 90 HG22 ILE 90 -9.222 5.873 -0.172 734 HG23 ILE 90 HG23 ILE 90 -9.963 4.903 -1.445 735 HD11 ILE 90 HD11 ILE 90 -8.933 1.713 -3.031 736 HD12 ILE 90 HD12 ILE 90 -9.875 3.140 -2.598 737 HD13 ILE 90 HD13 ILE 90 -8.377 3.317 -3.513 738 H ASN 91 H ASN 91 -8.673 7.000 -3.045 739 HA ASN 91 HA ASN 91 -7.537 9.200 -1.491 740 HB2 ASN 91 HB2 ASN 91 -8.672 10.652 -3.109 741 HB3 ASN 91 HB3 ASN 91 -7.673 9.465 -3.935 742 HD21 ASN 91 HD21 ASN 91 -9.926 10.989 -4.916 743 HD22 ASN 91 HD22 ASN 91 -11.092 9.828 -5.472 744 H SER 92 H SER 92 -9.455 10.991 -1.202 745 HA SER 92 HA SER 92 -10.999 9.940 0.924 746 HB2 SER 92 HB2 SER 92 -11.125 12.596 -0.510 747 HB3 SER 92 HB3 SER 92 -12.034 12.220 0.954 748 HG SER 92 HG SER 92 -10.304 12.511 2.092 749 H SER 93 H SER 93 -11.618 10.145 -2.454 750 HA SER 93 HA SER 93 -14.478 9.990 -2.205 751 HB2 SER 93 HB2 SER 93 -12.795 9.331 -4.629 752 HB3 SER 93 HB3 SER 93 -14.504 9.771 -4.596 753 HG SER 93 HG SER 93 -13.523 11.638 -5.088 754 H GLY 94 H GLY 94 -11.817 7.787 -2.266 755 HA2 GLY 94 HA2 GLY 94 -11.764 5.531 -1.801 756 HA3 GLY 94 HA3 GLY 94 -13.509 5.574 -1.597 757 H GLU 95 H GLU 95 -12.450 6.881 -4.547 758 HA GLU 95 HA GLU 95 -13.637 4.588 -5.909 759 HB2 GLU 95 HB2 GLU 95 -13.088 7.400 -6.859 760 HB3 GLU 95 HB3 GLU 95 -13.802 6.136 -7.855 761 HG2 GLU 95 HG2 GLU 95 -14.963 7.345 -5.358 762 HG3 GLU 95 HG3 GLU 95 -15.536 7.564 -7.010 763 H VAL 96 H VAL 96 -10.759 5.000 -4.947 764 HA VAL 96 HA VAL 96 -8.710 4.216 -5.559 765 HB VAL 96 HB VAL 96 -10.015 3.236 -8.103 766 HG11 VAL 96 HG11 VAL 96 -8.201 1.570 -8.084 767 HG12 VAL 96 HG12 VAL 96 -7.597 3.223 -8.222 768 HG13 VAL 96 HG13 VAL 96 -7.499 2.374 -6.678 769 HG21 VAL 96 HG21 VAL 96 -9.727 1.849 -5.443 770 HG22 VAL 96 HG22 VAL 96 -11.233 2.373 -6.197 771 HG23 VAL 96 HG23 VAL 96 -10.276 1.089 -6.935 772 H VAL 97 H VAL 97 -7.449 5.984 -5.854 773 HA VAL 97 HA VAL 97 -7.774 7.663 -8.176 774 HB VAL 97 HB VAL 97 -7.092 8.632 -6.007 775 HG11 VAL 97 HG11 VAL 97 -4.774 8.387 -5.229 776 HG12 VAL 97 HG12 VAL 97 -5.676 6.874 -5.157 777 HG13 VAL 97 HG13 VAL 97 -4.509 7.144 -6.454 778 HG21 VAL 97 HG21 VAL 97 -6.612 9.858 -8.030 779 HG22 VAL 97 HG22 VAL 97 -5.297 10.083 -6.877 780 HG23 VAL 97 HG23 VAL 97 -5.097 8.983 -8.240 781 H TYR 98 H TYR 98 -5.694 5.058 -7.142 782 HA TYR 98 HA TYR 98 -4.985 4.453 -9.827 783 HB2 TYR 98 HB2 TYR 98 -3.343 6.266 -9.403 784 HB3 TYR 98 HB3 TYR 98 -2.734 5.370 -8.014 785 HD1 TYR 98 HD1 TYR 98 -3.293 4.961 -11.692 786 HD2 TYR 98 HD2 TYR 98 -0.911 3.958 -8.307 787 HE1 TYR 98 HE1 TYR 98 -1.724 3.760 -13.156 788 HE2 TYR 98 HE2 TYR 98 0.662 2.755 -9.766 789 HH TYR 98 HH TYR 98 0.656 3.060 -13.140 790 H ARG 99 H ARG 99 -4.208 2.372 -10.026 791 HA ARG 99 HA ARG 99 -3.779 0.873 -7.531 792 HB2 ARG 99 HB2 ARG 99 -5.956 0.257 -8.446 793 HB3 ARG 99 HB3 ARG 99 -5.235 -0.048 -10.021 794 HG2 ARG 99 HG2 ARG 99 -3.917 -1.879 -9.028 795 HG3 ARG 99 HG3 ARG 99 -4.732 -1.592 -7.488 796 HD2 ARG 99 HD2 ARG 99 -6.878 -2.075 -8.517 797 HD3 ARG 99 HD3 ARG 99 -6.093 -2.312 -10.076 798 HE ARG 99 HE ARG 99 -5.524 -4.030 -7.753 799 HH11 ARG 99 HH11 ARG 99 -6.267 -3.576 -11.134 800 HH12 ARG 99 HH12 ARG 99 -6.282 -5.277 -11.501 801 HH21 ARG 99 HH21 ARG 99 -5.549 -6.269 -8.196 802 HH22 ARG 99 HH22 ARG 99 -5.898 -6.811 -9.816 803 H LEU 100 H LEU 100 -1.768 0.124 -7.438 804 HA LEU 100 HA LEU 100 -0.257 -0.094 -9.941 805 HB2 LEU 100 HB2 LEU 100 0.679 1.355 -8.204 806 HB3 LEU 100 HB3 LEU 100 0.698 0.005 -7.078 807 HG LEU 100 HG LEU 100 2.351 -1.150 -8.491 808 HD11 LEU 100 HD11 LEU 100 2.326 1.386 -10.122 809 HD12 LEU 100 HD12 LEU 100 3.442 0.035 -10.318 810 HD13 LEU 100 HD13 LEU 100 1.723 -0.186 -10.646 811 HD21 LEU 100 HD21 LEU 100 3.096 0.265 -6.651 812 HD22 LEU 100 HD22 LEU 100 4.239 0.313 -7.993 813 HD23 LEU 100 HD23 LEU 100 3.131 1.661 -7.729 814 H VAL 101 H VAL 101 -0.316 -2.031 -10.812 815 HA VAL 101 HA VAL 101 -0.359 -4.417 -9.118 816 HB VAL 101 HB VAL 101 -0.554 -4.233 -12.134 817 HG11 VAL 101 HG11 VAL 101 -1.135 -6.518 -10.253 818 HG12 VAL 101 HG12 VAL 101 -1.397 -6.527 -11.998 819 HG13 VAL 101 HG13 VAL 101 0.241 -6.402 -11.351 820 HG21 VAL 101 HG21 VAL 101 -2.951 -4.613 -11.830 821 HG22 VAL 101 HG22 VAL 101 -2.741 -4.537 -10.081 822 HG23 VAL 101 HG23 VAL 101 -2.435 -3.110 -11.069 823 H GLY 102 H GLY 102 1.601 -4.935 -8.408 824 HA2 GLY 102 HA2 GLY 102 3.657 -6.131 -9.111 825 HA3 GLY 102 HA3 GLY 102 3.846 -4.874 -10.326 826 H ALA 103 H ALA 103 5.732 -5.619 -8.233 827 HA ALA 103 HA ALA 103 5.897 -3.013 -6.896 828 HB1 ALA 103 HB1 ALA 103 6.210 -5.651 -5.471 829 HB2 ALA 103 HB2 ALA 103 6.506 -4.060 -4.771 830 HB3 ALA 103 HB3 ALA 103 4.879 -4.511 -5.277 831 H GLU 104 H GLU 104 7.725 -2.149 -7.546 832 HA GLU 104 HA GLU 104 10.067 -3.850 -8.004 833 HB2 GLU 104 HB2 GLU 104 9.586 -0.947 -8.696 834 HB3 GLU 104 HB3 GLU 104 11.046 -1.847 -9.079 835 HG2 GLU 104 HG2 GLU 104 8.280 -2.344 -10.145 836 HG3 GLU 104 HG3 GLU 104 9.665 -1.703 -11.028 837 H ASP 105 H ASP 105 12.161 -2.315 -7.551 838 HA ASP 105 HA ASP 105 12.347 -2.196 -4.714 839 HB2 ASP 105 HB2 ASP 105 14.650 -1.305 -5.204 840 HB3 ASP 105 HB3 ASP 105 14.297 -2.871 -5.907 841 H ALA 106 H ALA 106 13.493 -0.177 -3.762 842 HA ALA 106 HA ALA 106 11.533 1.644 -3.306 843 HB1 ALA 106 HB1 ALA 106 14.472 2.223 -3.060 844 HB2 ALA 106 HB2 ALA 106 13.159 3.028 -2.200 845 HB3 ALA 106 HB3 ALA 106 13.504 1.324 -1.892 846 HA PRO 107 HA PRO 107 13.608 5.023 -6.148 847 HB2 PRO 107 HB2 PRO 107 14.774 3.345 -8.290 848 HB3 PRO 107 HB3 PRO 107 15.418 4.799 -7.522 849 HG2 PRO 107 HG2 PRO 107 16.439 2.390 -6.989 850 HG3 PRO 107 HG3 PRO 107 16.284 3.627 -5.727 851 HD2 PRO 107 HD2 PRO 107 14.592 1.209 -6.236 852 HD3 PRO 107 HD3 PRO 107 15.120 1.920 -4.700 853 H GLU 108 H GLU 108 12.876 2.108 -8.092 854 HA GLU 108 HA GLU 108 11.299 3.642 -9.920 855 HB2 GLU 108 HB2 GLU 108 11.958 0.735 -9.669 856 HB3 GLU 108 HB3 GLU 108 10.719 1.280 -10.791 857 HG2 GLU 108 HG2 GLU 108 13.575 2.226 -10.757 858 HG3 GLU 108 HG3 GLU 108 12.900 1.038 -11.872 859 H LEU 109 H LEU 109 10.629 1.841 -7.044 860 HA LEU 109 HA LEU 109 7.853 1.484 -7.436 861 HB2 LEU 109 HB2 LEU 109 9.280 0.433 -5.638 862 HB3 LEU 109 HB3 LEU 109 9.248 1.972 -4.809 863 HG LEU 109 HG LEU 109 6.812 1.821 -4.575 864 HD11 LEU 109 HD11 LEU 109 6.345 0.536 -6.603 865 HD12 LEU 109 HD12 LEU 109 7.115 -0.880 -5.885 866 HD13 LEU 109 HD13 LEU 109 5.635 -0.227 -5.178 867 HD21 LEU 109 HD21 LEU 109 8.236 0.917 -2.816 868 HD22 LEU 109 HD22 LEU 109 6.753 -0.024 -2.977 869 HD23 LEU 109 HD23 LEU 109 8.268 -0.645 -3.634 870 H LEU 110 H LEU 110 9.693 3.985 -5.715 871 HA LEU 110 HA LEU 110 7.572 5.723 -5.163 872 HB2 LEU 110 HB2 LEU 110 9.834 5.902 -4.179 873 HB3 LEU 110 HB3 LEU 110 10.459 6.421 -5.732 874 HG LEU 110 HG LEU 110 9.011 8.433 -5.606 875 HD11 LEU 110 HD11 LEU 110 7.289 7.510 -4.130 876 HD12 LEU 110 HD12 LEU 110 8.449 7.488 -2.800 877 HD13 LEU 110 HD13 LEU 110 7.946 9.024 -3.508 878 HD21 LEU 110 HD21 LEU 110 10.884 8.041 -3.275 879 HD22 LEU 110 HD22 LEU 110 11.343 8.529 -4.905 880 HD23 LEU 110 HD23 LEU 110 10.342 9.593 -3.916 881 H LYS 111 H LYS 111 9.520 5.281 -8.036 882 HA LYS 111 HA LYS 111 8.750 7.517 -9.525 883 HB2 LYS 111 HB2 LYS 111 10.544 5.980 -10.201 884 HB3 LYS 111 HB3 LYS 111 9.365 4.710 -10.484 885 HG2 LYS 111 HG2 LYS 111 9.916 5.553 -12.595 886 HG3 LYS 111 HG3 LYS 111 8.335 6.239 -12.217 887 HD2 LYS 111 HD2 LYS 111 9.713 7.966 -13.162 888 HD3 LYS 111 HD3 LYS 111 9.481 8.306 -11.448 889 HE2 LYS 111 HE2 LYS 111 11.804 8.675 -12.200 890 HE3 LYS 111 HE3 LYS 111 11.674 7.455 -10.933 891 HZ1 LYS 111 HZ1 LYS 111 13.174 6.917 -12.871 892 HZ2 LYS 111 HZ2 LYS 111 12.031 5.731 -12.467 893 HZ3 LYS 111 HZ3 LYS 111 11.769 6.739 -13.806 894 H LYS 112 H LYS 112 7.286 4.279 -9.355 895 HA LYS 112 HA LYS 112 5.112 4.909 -11.077 896 HB2 LYS 112 HB2 LYS 112 5.584 2.668 -9.119 897 HB3 LYS 112 HB3 LYS 112 4.100 2.801 -10.047 898 HG2 LYS 112 HG2 LYS 112 6.882 2.471 -11.148 899 HG3 LYS 112 HG3 LYS 112 5.605 1.252 -11.108 900 HD2 LYS 112 HD2 LYS 112 4.222 2.889 -12.488 901 HD3 LYS 112 HD3 LYS 112 5.722 3.783 -12.734 902 HE2 LYS 112 HE2 LYS 112 5.117 0.949 -13.558 903 HE3 LYS 112 HE3 LYS 112 5.386 2.335 -14.611 904 HZ1 LYS 112 HZ1 LYS 112 7.683 2.441 -13.732 905 HZ2 LYS 112 HZ2 LYS 112 7.388 1.011 -12.866 906 HZ3 LYS 112 HZ3 LYS 112 7.349 0.991 -14.553 907 H VAL 113 H VAL 113 5.549 4.973 -7.575 908 HA VAL 113 HA VAL 113 2.857 5.339 -6.859 909 HB VAL 113 HB VAL 113 5.363 6.287 -5.456 910 HG11 VAL 113 HG11 VAL 113 2.528 6.179 -4.426 911 HG12 VAL 113 HG12 VAL 113 3.957 6.494 -3.442 912 HG13 VAL 113 HG13 VAL 113 3.488 7.632 -4.705 913 HG21 VAL 113 HG21 VAL 113 3.591 3.883 -5.029 914 HG22 VAL 113 HG22 VAL 113 5.242 3.881 -5.656 915 HG23 VAL 113 HG23 VAL 113 4.933 4.353 -3.984 916 H LYS 114 H LYS 114 5.415 7.772 -7.382 917 HA LYS 114 HA LYS 114 3.717 9.971 -6.855 918 HB2 LYS 114 HB2 LYS 114 6.395 9.725 -8.186 919 HB3 LYS 114 HB3 LYS 114 5.566 11.273 -8.059 920 HG2 LYS 114 HG2 LYS 114 5.501 11.043 -5.628 921 HG3 LYS 114 HG3 LYS 114 6.329 9.498 -5.757 922 HD2 LYS 114 HD2 LYS 114 7.885 11.231 -5.165 923 HD3 LYS 114 HD3 LYS 114 8.242 10.599 -6.769 924 HE2 LYS 114 HE2 LYS 114 8.425 13.021 -6.670 925 HE3 LYS 114 HE3 LYS 114 7.173 12.512 -7.794 926 HZ1 LYS 114 HZ1 LYS 114 6.667 13.415 -5.006 927 HZ2 LYS 114 HZ2 LYS 114 6.540 14.415 -6.369 928 HZ3 LYS 114 HZ3 LYS 114 5.498 13.087 -6.194 929 H LEU 115 H LEU 115 4.931 8.688 -9.960 930 HA LEU 115 HA LEU 115 3.460 10.620 -11.476 931 HB2 LEU 115 HB2 LEU 115 4.914 8.108 -12.292 932 HB3 LEU 115 HB3 LEU 115 4.162 9.210 -13.427 933 HG LEU 115 HG LEU 115 6.416 9.912 -11.548 934 HD11 LEU 115 HD11 LEU 115 6.387 9.477 -14.529 935 HD12 LEU 115 HD12 LEU 115 7.765 10.039 -13.583 936 HD13 LEU 115 HD13 LEU 115 7.124 8.415 -13.330 937 HD21 LEU 115 HD21 LEU 115 4.956 11.816 -11.991 938 HD22 LEU 115 HD22 LEU 115 6.510 12.010 -12.802 939 HD23 LEU 115 HD23 LEU 115 5.088 11.523 -13.725 940 H GLY 116 H GLY 116 2.607 7.678 -10.037 941 HA2 GLY 116 HA2 GLY 116 0.560 6.976 -11.952 942 HA3 GLY 116 HA3 GLY 116 0.855 6.201 -10.402 943 H VAL 117 H VAL 117 0.750 8.765 -8.943 944 HA VAL 117 HA VAL 117 -2.097 8.744 -8.520 945 HB VAL 117 HB VAL 117 0.046 10.404 -7.172 946 HG11 VAL 117 HG11 VAL 117 -2.136 11.458 -6.956 947 HG12 VAL 117 HG12 VAL 117 -2.835 9.938 -6.400 948 HG13 VAL 117 HG13 VAL 117 -1.632 10.768 -5.412 949 HG21 VAL 117 HG21 VAL 117 0.325 7.996 -6.839 950 HG22 VAL 117 HG22 VAL 117 -0.156 8.800 -5.346 951 HG23 VAL 117 HG23 VAL 117 -1.342 7.880 -6.273 952 H GLU 118 H GLU 118 0.223 10.858 -10.063 953 HA GLU 118 HA GLU 118 -1.855 12.864 -10.464 954 HB2 GLU 118 HB2 GLU 118 0.082 14.231 -11.363 955 HB3 GLU 118 HB3 GLU 118 0.086 13.891 -9.643 956 HG2 GLU 118 HG2 GLU 118 1.626 11.977 -10.151 957 HG3 GLU 118 HG3 GLU 118 1.761 12.625 -11.784 958 H SER 119 H SER 119 -3.025 12.679 -12.193 959 HA SER 119 HA SER 119 -3.641 12.640 -14.365 960 HB2 SER 119 HB2 SER 119 -1.420 13.792 -14.795 961 HB3 SER 119 HB3 SER 119 -0.762 12.199 -15.169 962 HG SER 119 HG SER 119 -1.449 13.149 -17.075 963 H GLU 120 H GLU 120 -4.822 10.939 -14.772 964 HA GLU 120 HA GLU 120 -3.689 8.264 -14.615 965 HB2 GLU 120 HB2 GLU 120 -6.033 7.517 -14.778 966 HB3 GLU 120 HB3 GLU 120 -5.793 8.667 -13.469 967 HG2 GLU 120 HG2 GLU 120 -6.641 10.454 -14.989 968 HG3 GLU 120 HG3 GLU 120 -7.044 9.189 -16.149 969 H GLY 121 H GLY 121 -4.060 10.578 -16.935 970 HA2 GLY 121 HA2 GLY 121 -3.100 9.386 -19.098 971 HA3 GLY 121 HA3 GLY 121 -4.755 8.790 -19.120
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