NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
464325 | 2kt6 | 16684 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 HT1 VAL 1 -10.480 -20.681 -3.228 2 H2 VAL 1 HT2 VAL 1 -9.580 -20.853 -1.802 3 H3 VAL 1 HT3 VAL 1 -8.856 -20.195 -3.186 4 HA VAL 1 HA VAL 1 -10.262 -18.284 -3.098 5 HB VAL 1 HB VAL 1 -11.671 -17.915 -1.055 6 HG11 VAL 1 HG11 VAL 1 -12.668 -18.457 -3.208 7 HG12 VAL 1 HG12 VAL 1 -13.579 -19.200 -1.892 8 HG13 VAL 1 HG13 VAL 1 -12.488 -20.179 -2.872 9 HG21 VAL 1 HG21 VAL 1 -12.436 -19.886 0.187 10 HG22 VAL 1 HG22 VAL 1 -10.701 -19.631 0.374 11 HG23 VAL 1 HG23 VAL 1 -11.295 -20.889 -0.708 12 H LEU 2 HN LEU 2 -8.192 -19.983 -0.937 13 HA LEU 2 HA LEU 2 -7.353 -17.400 0.133 14 HB2 LEU 2 HB2 LEU 2 -7.141 -20.187 1.214 15 HB3 LEU 2 HB1 LEU 2 -6.205 -18.864 1.884 16 HG LEU 2 HG LEU 2 -9.214 -19.092 1.815 17 HD11 LEU 2 HD11 LEU 2 -7.236 -19.063 4.087 18 HD12 LEU 2 HD12 LEU 2 -8.166 -20.452 3.523 19 HD13 LEU 2 HD13 LEU 2 -8.991 -19.076 4.255 20 HD21 LEU 2 HD21 LEU 2 -9.235 -16.971 3.039 21 HD22 LEU 2 HD22 LEU 2 -8.556 -16.783 1.422 22 HD23 LEU 2 HD23 LEU 2 -7.489 -16.835 2.825 23 H LYS 3 HN LYS 3 -6.299 -17.351 -2.125 24 HA LYS 3 HA LYS 3 -3.452 -17.936 -1.615 25 HB2 LYS 3 HB2 LYS 3 -4.712 -16.608 -4.042 26 HB3 LYS 3 HB1 LYS 3 -3.018 -17.045 -3.858 27 HG2 LYS 3 HG2 LYS 3 -5.301 -19.012 -3.923 28 HG3 LYS 3 HG1 LYS 3 -4.278 -18.603 -5.299 29 HD2 LYS 3 HD2 LYS 3 -2.327 -19.466 -4.151 30 HD3 LYS 3 HD1 LYS 3 -3.281 -19.762 -2.697 31 HE2 LYS 3 HE2 LYS 3 -2.879 -21.817 -4.005 32 HE3 LYS 3 HE1 LYS 3 -4.593 -21.432 -3.849 33 HZ1 LYS 3 HZ1 LYS 3 -2.976 -20.686 -6.225 34 HZ2 LYS 3 HZ2 LYS 3 -4.666 -20.652 -6.068 35 HZ3 LYS 3 HZ3 LYS 3 -3.849 -22.137 -6.119 36 H GLY 4 HN GLY 4 -5.761 -15.439 -2.466 37 HA2 GLY 4 HA2 GLY 4 -5.433 -14.278 0.035 38 HA3 GLY 4 HA1 GLY 4 -4.733 -13.151 -1.110 39 H LYS 5 HN LYS 5 -6.204 -11.810 -0.445 40 HA LYS 5 HA LYS 5 -8.767 -11.860 -1.631 41 HB2 LYS 5 HB2 LYS 5 -8.449 -12.349 1.321 42 HB3 LYS 5 HB1 LYS 5 -9.822 -11.417 0.726 43 HG2 LYS 5 HG2 LYS 5 -9.106 -14.241 -0.046 44 HG3 LYS 5 HG1 LYS 5 -10.452 -13.736 0.980 45 HD2 LYS 5 HD2 LYS 5 -11.658 -12.891 -0.789 46 HD3 LYS 5 HD1 LYS 5 -10.218 -12.571 -1.755 47 HE2 LYS 5 HE2 LYS 5 -9.952 -15.061 -1.988 48 HE3 LYS 5 HE1 LYS 5 -11.544 -15.227 -1.245 49 HZ1 LYS 5 HZ1 LYS 5 -11.087 -13.562 -3.650 50 HZ2 LYS 5 HZ2 LYS 5 -12.560 -14.140 -3.042 51 HZ3 LYS 5 HZ3 LYS 5 -11.455 -15.213 -3.754 52 H ARG 6 HN ARG 6 -8.666 -10.010 1.057 53 HA ARG 6 HA ARG 6 -7.645 -7.914 -0.367 54 HB2 ARG 6 HB2 ARG 6 -9.439 -6.731 -0.911 55 HB3 ARG 6 HB1 ARG 6 -10.463 -8.057 -0.391 56 HG2 ARG 6 HG2 ARG 6 -10.481 -7.086 1.879 57 HG3 ARG 6 HG1 ARG 6 -9.560 -5.733 1.225 58 HD2 ARG 6 HD2 ARG 6 -11.385 -5.440 -0.473 59 HD3 ARG 6 HD1 ARG 6 -12.324 -6.604 0.463 60 HE ARG 6 HE ARG 6 -12.136 -4.989 2.348 61 HH11 ARG 6 HH11 ARG 6 -11.729 -3.906 -0.950 62 HH12 ARG 6 HH12 ARG 6 -12.292 -2.288 -0.635 63 HH21 ARG 6 HH21 ARG 6 -12.873 -2.857 2.787 64 HH22 ARG 6 HH22 ARG 6 -12.949 -1.695 1.497 65 H LEU 7 HN LEU 7 -7.457 -6.073 1.509 66 HA LEU 7 HA LEU 7 -6.955 -7.550 3.810 67 HB2 LEU 7 HB2 LEU 7 -4.371 -6.747 3.434 68 HB3 LEU 7 HB1 LEU 7 -4.989 -8.384 3.402 69 HG LEU 7 HG LEU 7 -3.627 -7.745 1.484 70 HD11 LEU 7 HD11 LEU 7 -6.318 -8.663 0.840 71 HD12 LEU 7 HD12 LEU 7 -4.941 -9.648 1.331 72 HD13 LEU 7 HD13 LEU 7 -4.910 -8.795 -0.212 73 HD21 LEU 7 HD21 LEU 7 -4.152 -5.479 1.128 74 HD22 LEU 7 HD22 LEU 7 -5.849 -5.870 0.881 75 HD23 LEU 7 HD23 LEU 7 -4.644 -6.369 -0.312 76 H PHE 8 HN PHE 8 -4.948 -6.119 5.043 77 HA PHE 8 HA PHE 8 -6.092 -3.397 5.157 78 HB2 PHE 8 HB2 PHE 8 -5.053 -4.592 7.688 79 HB3 PHE 8 HB1 PHE 8 -6.274 -3.346 7.454 80 HD1 PHE 8 HD2 PHE 8 -8.365 -4.489 5.945 81 HD2 PHE 8 HD1 PHE 8 -5.857 -6.381 8.805 82 HE1 PHE 8 HE2 PHE 8 -10.114 -6.165 6.372 83 HE2 PHE 8 HE1 PHE 8 -7.600 -8.052 9.238 84 HZ PHE 8 HZ PHE 8 -9.734 -7.947 8.023 85 H ALA 9 HN ALA 9 -4.357 -2.100 4.496 86 HA ALA 9 HA ALA 9 -1.678 -3.140 5.131 87 HB1 ALA 9 HB1 ALA 9 -2.377 -1.367 2.803 88 HB2 ALA 9 HB2 ALA 9 -2.068 -3.100 2.708 89 HB3 ALA 9 HB3 ALA 9 -0.780 -1.999 3.203 90 H ILE 10 HN ILE 10 -0.153 -1.712 5.884 91 HA ILE 10 HA ILE 10 -1.208 0.878 6.815 92 HB ILE 10 HB ILE 10 1.011 -0.594 8.221 93 HG12 ILE 10 HG12 ILE 10 -1.932 -0.684 8.940 94 HG13 ILE 10 HG11 ILE 10 -1.016 -2.029 8.265 95 HG21 ILE 10 HG21 ILE 10 0.851 1.784 8.641 96 HG22 ILE 10 HG22 ILE 10 0.370 0.889 10.083 97 HG23 ILE 10 HG23 ILE 10 -0.857 1.624 9.051 98 HD11 ILE 10 HD11 ILE 10 -0.522 -0.711 10.927 99 HD12 ILE 10 HD12 ILE 10 0.399 -2.056 10.254 100 HD13 ILE 10 HD13 ILE 10 -1.304 -2.270 10.660 101 H LEU 11 HN LEU 11 -0.164 2.450 5.590 102 HA LEU 11 HA LEU 11 2.310 1.618 4.291 103 HB2 LEU 11 HB2 LEU 11 0.289 3.654 3.336 104 HB3 LEU 11 HB1 LEU 11 1.835 3.343 2.578 105 HG LEU 11 HG LEU 11 0.305 2.233 1.224 106 HD11 LEU 11 HD11 LEU 11 2.178 0.807 1.724 107 HD12 LEU 11 HD12 LEU 11 0.717 -0.164 1.552 108 HD13 LEU 11 HD13 LEU 11 1.364 0.183 3.157 109 HD21 LEU 11 HD21 LEU 11 -1.649 2.396 2.638 110 HD22 LEU 11 HD22 LEU 11 -1.009 1.150 3.711 111 HD23 LEU 11 HD23 LEU 11 -1.460 0.743 2.054 112 H ARG 12 HN ARG 12 4.008 2.620 5.097 113 HA ARG 12 HA ARG 12 3.639 5.339 6.221 114 HB2 ARG 12 HB2 ARG 12 5.172 2.956 7.244 115 HB3 ARG 12 HB1 ARG 12 5.525 4.582 7.805 116 HG2 ARG 12 HG2 ARG 12 2.835 3.247 8.003 117 HG3 ARG 12 HG1 ARG 12 4.026 3.332 9.306 118 HD2 ARG 12 HD2 ARG 12 3.962 5.812 9.108 119 HD3 ARG 12 HD1 ARG 12 2.643 5.641 7.951 120 HE ARG 12 HE ARG 12 1.715 4.277 10.078 121 HH11 ARG 12 HH11 ARG 12 3.205 7.415 9.796 122 HH12 ARG 12 HH12 ARG 12 2.284 8.127 11.075 123 HH21 ARG 12 HH21 ARG 12 0.471 5.196 11.770 124 HH22 ARG 12 HH22 ARG 12 0.731 6.856 12.215 125 H LEU 13 HN LEU 13 5.112 6.909 5.714 126 HA LEU 13 HA LEU 13 7.075 6.688 3.718 127 HB2 LEU 13 HB2 LEU 13 6.293 8.682 5.776 128 HB3 LEU 13 HB1 LEU 13 7.937 8.755 5.191 129 HG LEU 13 HG LEU 13 6.666 10.356 4.020 130 HD11 LEU 13 HD11 LEU 13 8.313 9.199 2.689 131 HD12 LEU 13 HD12 LEU 13 6.930 9.661 1.698 132 HD13 LEU 13 HD13 LEU 13 7.117 7.989 2.228 133 HD21 LEU 13 HD21 LEU 13 4.707 8.196 3.287 134 HD22 LEU 13 HD22 LEU 13 4.698 9.834 2.641 135 HD23 LEU 13 HD23 LEU 13 4.405 9.565 4.358 136 H ALA 14 HN ALA 14 9.087 6.269 3.957 137 HA ALA 14 HA ALA 14 10.101 4.686 5.992 138 HB1 ALA 14 HB1 ALA 14 11.037 4.744 3.715 139 HB2 ALA 14 HB2 ALA 14 12.285 4.918 4.947 140 HB3 ALA 14 HB3 ALA 14 11.729 6.332 4.051 141 H ASP 15 HN ASP 15 10.267 8.177 5.602 142 HA ASP 15 HA ASP 15 11.983 8.802 7.650 143 HB2 ASP 15 HB2 ASP 15 9.480 10.354 6.923 144 HB3 ASP 15 HB1 ASP 15 10.878 10.991 7.790 145 H GLY 16 HN GLY 16 8.926 7.332 7.979 146 HA2 GLY 16 HA2 GLY 16 7.918 6.808 10.032 147 HA3 GLY 16 HA1 GLY 16 8.696 8.224 10.755 148 H SER 17 HN SER 17 7.393 8.776 7.726 149 HA SER 17 HA SER 17 5.169 10.301 8.877 150 HB2 SER 17 HB2 SER 17 6.852 11.528 7.473 151 HB3 SER 17 HB1 SER 17 6.391 10.506 6.107 152 HG SER 17 HG SER 17 5.243 12.748 6.960 153 H GLN 18 HN GLN 18 3.740 10.436 6.371 154 HA GLN 18 HA GLN 18 2.775 7.656 6.153 155 HB2 GLN 18 HB2 GLN 18 1.537 9.752 7.564 156 HB3 GLN 18 HB1 GLN 18 0.633 9.498 6.070 157 HG2 GLN 18 HG2 GLN 18 0.041 7.342 6.686 158 HG3 GLN 18 HG1 GLN 18 1.352 7.210 7.860 159 HE21 GLN 18 HE21 GLN 18 -0.536 10.097 7.708 160 HE22 GLN 18 HE22 GLN 18 -1.410 9.850 9.192 161 HA PRO 19 HA PRO 19 1.245 9.109 2.182 162 HB2 PRO 19 HB2 PRO 19 0.505 6.621 1.363 163 HB3 PRO 19 HB1 PRO 19 2.113 7.276 1.032 164 HG2 PRO 19 HG2 PRO 19 1.259 5.282 3.057 165 HG3 PRO 19 HG1 PRO 19 2.788 5.407 2.172 166 HD2 PRO 19 HD2 PRO 19 2.387 6.207 4.799 167 HD3 PRO 19 HD1 PRO 19 3.712 6.753 3.754 168 HA PRO 20 HA PRO 20 -1.955 8.638 5.202 169 HB2 PRO 20 HB2 PRO 20 -2.551 11.193 5.362 170 HB3 PRO 20 HB1 PRO 20 -0.907 10.675 5.705 171 HG2 PRO 20 HG2 PRO 20 -2.004 12.037 3.296 172 HG3 PRO 20 HG1 PRO 20 -0.419 12.208 4.072 173 HD2 PRO 20 HD2 PRO 20 -1.120 10.527 1.875 174 HD3 PRO 20 HD1 PRO 20 0.453 10.635 2.701 175 H PHE 21 HN PHE 21 -4.275 10.259 5.115 176 HA PHE 21 HA PHE 21 -5.991 8.468 3.881 177 HB2 PHE 21 HB2 PHE 21 -6.399 10.227 5.682 178 HB3 PHE 21 HB1 PHE 21 -6.648 11.312 4.349 179 HD1 PHE 21 HD2 PHE 21 -8.201 9.700 2.458 180 HD2 PHE 21 HD1 PHE 21 -8.434 9.974 6.696 181 HE1 PHE 21 HE2 PHE 21 -10.560 9.015 2.373 182 HE2 PHE 21 HE1 PHE 21 -10.797 9.293 6.616 183 HZ PHE 21 HZ PHE 21 -11.862 8.816 4.451 184 H GLY 22 HN GLY 22 -5.810 7.998 1.735 185 HA2 GLY 22 HA2 GLY 22 -7.041 8.640 -0.326 186 HA3 GLY 22 HA1 GLY 22 -6.248 10.189 -0.144 187 H ALA 23 HN ALA 23 -4.024 8.233 0.995 188 HA ALA 23 HA ALA 23 -2.399 8.164 -1.157 189 HB1 ALA 23 HB1 ALA 23 -1.678 7.781 1.164 190 HB2 ALA 23 HB2 ALA 23 -1.006 6.603 0.039 191 HB3 ALA 23 HB3 ALA 23 -2.353 6.155 1.082 192 H SER 24 HN SER 24 -3.455 7.559 -2.915 193 HA SER 24 HA SER 24 -4.513 5.059 -3.523 194 HB2 SER 24 HB2 SER 24 -3.361 7.354 -5.037 195 HB3 SER 24 HB1 SER 24 -3.558 5.840 -5.918 196 HG SER 24 HG SER 24 -5.472 7.601 -4.883 197 H VAL 25 HN VAL 25 -3.444 3.179 -3.244 198 HA VAL 25 HA VAL 25 -0.625 3.092 -4.036 199 HB VAL 25 HB VAL 25 -0.348 1.049 -2.746 200 HG11 VAL 25 HG11 VAL 25 -0.445 2.002 -0.515 201 HG12 VAL 25 HG12 VAL 25 -1.582 3.234 -1.067 202 HG13 VAL 25 HG13 VAL 25 0.072 3.226 -1.672 203 HG21 VAL 25 HG21 VAL 25 -2.614 0.175 -2.865 204 HG22 VAL 25 HG22 VAL 25 -3.180 1.476 -1.816 205 HG23 VAL 25 HG23 VAL 25 -2.054 0.269 -1.196 206 H THR 26 HN THR 26 -0.292 2.372 -5.941 207 HA THR 26 HA THR 26 -1.670 0.042 -6.966 208 HB THR 26 HB THR 26 -3.279 1.261 -8.036 209 HG1 THR 26 HG1 THR 26 -2.451 1.948 -10.174 210 HG21 THR 26 HG21 THR 26 -1.396 3.618 -8.226 211 HG22 THR 26 HG22 THR 26 -2.658 3.407 -7.014 212 HG23 THR 26 HG23 THR 26 -3.092 3.607 -8.711 213 H SER 27 HN SER 27 -0.278 -1.026 -8.433 214 HA SER 27 HA SER 27 2.467 -0.162 -8.135 215 HB2 SER 27 HB2 SER 27 3.103 -2.204 -9.013 216 HB3 SER 27 HB1 SER 27 1.564 -2.611 -8.251 217 HG SER 27 HG SER 27 1.988 -3.314 -10.546 218 H GLU 28 HN GLU 28 3.851 0.031 -10.200 219 HA GLU 28 HA GLU 28 2.758 1.981 -11.819 220 HB2 GLU 28 HB2 GLU 28 4.793 1.559 -13.308 221 HB3 GLU 28 HB1 GLU 28 5.073 2.030 -11.641 222 HG2 GLU 28 HG2 GLU 28 5.570 -0.253 -11.038 223 HG3 GLU 28 HG1 GLU 28 5.173 -0.796 -12.667 224 H LYS 29 HN LYS 29 2.124 -1.290 -12.047 225 HA LYS 29 HA LYS 29 1.433 -1.120 -14.892 226 HB2 LYS 29 HB2 LYS 29 2.484 -3.214 -13.982 227 HB3 LYS 29 HB1 LYS 29 1.042 -3.454 -13.004 228 HG2 LYS 29 HG2 LYS 29 1.029 -4.809 -15.052 229 HG3 LYS 29 HG1 LYS 29 -0.317 -3.666 -14.994 230 HD2 LYS 29 HD2 LYS 29 1.019 -2.116 -16.412 231 HD3 LYS 29 HD1 LYS 29 2.246 -3.375 -16.559 232 HE2 LYS 29 HE2 LYS 29 0.676 -4.840 -17.652 233 HE3 LYS 29 HE1 LYS 29 -0.634 -3.683 -17.397 234 HZ1 LYS 29 HZ1 LYS 29 0.191 -3.522 -19.639 235 HZ2 LYS 29 HZ2 LYS 29 1.775 -3.270 -19.090 236 HZ3 LYS 29 HZ3 LYS 29 0.579 -2.100 -18.798 237 H GLY 30 HN GLY 30 0.054 -0.908 -11.725 238 HA2 GLY 30 HA2 GLY 30 -1.902 0.551 -11.520 239 HA3 GLY 30 HA1 GLY 30 -2.532 -0.280 -12.931 240 H ARG 31 HN ARG 31 -0.667 -1.664 -10.341 241 HA ARG 31 HA ARG 31 -2.708 -3.643 -9.932 242 HB2 ARG 31 HB2 ARG 31 -0.201 -4.183 -9.788 243 HB3 ARG 31 HB1 ARG 31 -0.211 -3.260 -8.291 244 HG2 ARG 31 HG2 ARG 31 -0.376 -5.662 -7.874 245 HG3 ARG 31 HG1 ARG 31 -1.796 -4.791 -7.298 246 HD2 ARG 31 HD2 ARG 31 -3.040 -5.476 -9.279 247 HD3 ARG 31 HD1 ARG 31 -1.614 -6.307 -9.902 248 HE ARG 31 HE ARG 31 -2.104 -7.369 -7.394 249 HH11 ARG 31 HH11 ARG 31 -3.833 -7.140 -10.430 250 HH12 ARG 31 HH12 ARG 31 -4.630 -8.671 -10.236 251 HH21 ARG 31 HH21 ARG 31 -3.181 -9.378 -7.122 252 HH22 ARG 31 HH22 ARG 31 -4.305 -9.918 -8.342 253 H GLU 32 HN GLU 32 -4.429 -2.612 -8.953 254 HA GLU 32 HA GLU 32 -3.798 -0.365 -7.228 255 HB2 GLU 32 HB2 GLU 32 -6.486 -1.139 -8.343 256 HB3 GLU 32 HB1 GLU 32 -6.077 0.354 -7.509 257 HG2 GLU 32 HG2 GLU 32 -4.440 0.802 -9.393 258 HG3 GLU 32 HG1 GLU 32 -5.207 -0.543 -10.236 259 H LEU 33 HN LEU 33 -3.419 -1.100 -5.265 260 HA LEU 33 HA LEU 33 -4.864 -3.467 -4.296 261 HB2 LEU 33 HB2 LEU 33 -2.482 -1.966 -3.223 262 HB3 LEU 33 HB1 LEU 33 -3.341 -3.184 -2.298 263 HG LEU 33 HG LEU 33 -1.753 -4.539 -3.167 264 HD11 LEU 33 HD11 LEU 33 -3.606 -4.358 -5.531 265 HD12 LEU 33 HD12 LEU 33 -3.833 -5.369 -4.104 266 HD13 LEU 33 HD13 LEU 33 -2.483 -5.674 -5.196 267 HD21 LEU 33 HD21 LEU 33 -0.580 -4.173 -5.276 268 HD22 LEU 33 HD22 LEU 33 -0.495 -2.760 -4.222 269 HD23 LEU 33 HD23 LEU 33 -1.602 -2.772 -5.595 270 H GLY 34 HN GLY 34 -4.550 0.076 -3.778 271 HA2 GLY 34 HA2 GLY 34 -7.093 0.375 -2.886 272 HA3 GLY 34 HA1 GLY 34 -6.262 -0.085 -1.411 273 H MET 35 HN MET 35 -7.009 1.938 -0.584 274 HA MET 35 HA MET 35 -5.163 4.187 -1.028 275 HB2 MET 35 HB2 MET 35 -8.164 4.556 -1.155 276 HB3 MET 35 HB1 MET 35 -6.922 5.797 -1.345 277 HG2 MET 35 HG2 MET 35 -6.373 5.147 -3.433 278 HG3 MET 35 HG1 MET 35 -6.810 3.457 -3.104 279 HE1 MET 35 HE1 MET 35 -10.710 3.545 -3.439 280 HE2 MET 35 HE2 MET 35 -9.749 3.696 -1.967 281 HE3 MET 35 HE3 MET 35 -9.284 2.534 -3.209 282 H VAL 36 HN VAL 36 -4.849 5.392 0.805 283 HA VAL 36 HA VAL 36 -5.636 4.168 3.278 284 HB VAL 36 HB VAL 36 -4.443 6.908 2.768 285 HG11 VAL 36 HG11 VAL 36 -5.003 5.514 5.384 286 HG12 VAL 36 HG12 VAL 36 -5.756 6.997 4.793 287 HG13 VAL 36 HG13 VAL 36 -4.039 6.982 5.197 288 HG21 VAL 36 HG21 VAL 36 -2.956 4.974 2.333 289 HG22 VAL 36 HG22 VAL 36 -3.208 4.440 3.993 290 HG23 VAL 36 HG23 VAL 36 -2.405 5.983 3.675 291 H ALA 37 HN ALA 37 -7.390 4.550 4.561 292 HA ALA 37 HA ALA 37 -8.916 6.960 3.977 293 HB1 ALA 37 HB1 ALA 37 -11.057 5.837 4.090 294 HB2 ALA 37 HB2 ALA 37 -10.253 4.277 4.280 295 HB3 ALA 37 HB3 ALA 37 -10.087 5.178 2.774 296 H ASP 38 HN ASP 38 -7.154 6.789 5.891 297 HA ASP 38 HA ASP 38 -8.122 8.035 8.011 298 HB2 ASP 38 HB2 ASP 38 -9.502 5.779 8.324 299 HB3 ASP 38 HB1 ASP 38 -7.993 5.207 9.027 300 H GLU 39 HN GLU 39 -6.340 8.730 9.040 301 HA GLU 39 HA GLU 39 -4.097 9.079 9.293 302 HB2 GLU 39 HB2 GLU 39 -4.226 6.170 10.115 303 HB3 GLU 39 HB1 GLU 39 -2.977 7.326 10.573 304 HG2 GLU 39 HG2 GLU 39 -4.907 8.671 11.603 305 HG3 GLU 39 HG1 GLU 39 -5.824 7.175 11.462 306 H GLY 40 HN GLY 40 -3.276 5.779 8.764 307 HA2 GLY 40 HA2 GLY 40 -2.282 6.343 6.066 308 HA3 GLY 40 HA1 GLY 40 -1.125 5.801 7.282 309 H LEU 41 HN LEU 41 -4.437 4.750 7.174 310 HA LEU 41 HA LEU 41 -3.504 2.005 6.680 311 HB2 LEU 41 HB2 LEU 41 -4.840 2.745 8.801 312 HB3 LEU 41 HB1 LEU 41 -6.211 2.746 7.709 313 HG LEU 41 HG LEU 41 -5.657 0.334 7.178 314 HD11 LEU 41 HD11 LEU 41 -4.313 -0.869 8.826 315 HD12 LEU 41 HD12 LEU 41 -3.911 0.660 9.612 316 HD13 LEU 41 HD13 LEU 41 -3.357 0.340 7.969 317 HD21 LEU 41 HD21 LEU 41 -6.427 1.074 10.001 318 HD22 LEU 41 HD22 LEU 41 -6.704 -0.496 9.247 319 HD23 LEU 41 HD23 LEU 41 -7.513 0.940 8.618 320 H ALA 42 HN ALA 42 -3.915 1.266 4.677 321 HA ALA 42 HA ALA 42 -6.168 2.449 3.216 322 HB1 ALA 42 HB1 ALA 42 -3.926 2.847 2.095 323 HB2 ALA 42 HB2 ALA 42 -5.153 2.054 1.091 324 HB3 ALA 42 HB3 ALA 42 -3.847 1.104 1.835 325 H TRP 43 HN TRP 43 -7.761 1.087 2.816 326 HA TRP 43 HA TRP 43 -7.648 -1.612 3.797 327 HB2 TRP 43 HB2 TRP 43 -9.735 -0.003 2.400 328 HB3 TRP 43 HB1 TRP 43 -9.976 -1.688 2.869 329 HD1 TRP 43 HD1 TRP 43 -9.196 1.721 4.490 330 HE1 TRP 43 HE1 TRP 43 -9.533 1.454 7.023 331 HE3 TRP 43 HE3 TRP 43 -10.356 -3.237 4.621 332 HZ2 TRP 43 HZ2 TRP 43 -10.133 -0.599 8.745 333 HZ3 TRP 43 HZ3 TRP 43 -10.832 -4.280 6.793 334 HH2 TRP 43 HH2 TRP 43 -10.746 -2.961 8.850 335 H LEU 44 HN LEU 44 -6.406 -2.948 2.332 336 HA LEU 44 HA LEU 44 -6.472 -2.086 -0.453 337 HB2 LEU 44 HB2 LEU 44 -4.521 -3.979 0.856 338 HB3 LEU 44 HB1 LEU 44 -4.494 -3.452 -0.823 339 HG LEU 44 HG LEU 44 -3.742 -1.946 1.649 340 HD11 LEU 44 HD11 LEU 44 -1.809 -1.351 0.327 341 HD12 LEU 44 HD12 LEU 44 -2.504 -2.136 -1.089 342 HD13 LEU 44 HD13 LEU 44 -2.030 -3.102 0.312 343 HD21 LEU 44 HD21 LEU 44 -3.784 0.138 0.412 344 HD22 LEU 44 HD22 LEU 44 -5.403 -0.547 0.553 345 HD23 LEU 44 HD23 LEU 44 -4.517 -0.682 -0.966 346 H SER 45 HN SER 45 -5.992 -4.320 -1.749 347 HA SER 45 HA SER 45 -7.884 -6.275 -0.938 348 HB2 SER 45 HB2 SER 45 -8.272 -4.820 -3.565 349 HB3 SER 45 HB1 SER 45 -9.195 -6.223 -3.015 350 HG SER 45 HG SER 45 -9.054 -3.824 -1.521 351 H GLY 46 HN GLY 46 -6.014 -7.503 -0.772 352 HA2 GLY 46 HA2 GLY 46 -4.678 -9.145 -1.660 353 HA3 GLY 46 HA1 GLY 46 -5.441 -8.891 -3.214 354 H VAL 47 HN VAL 47 -2.786 -7.934 -1.112 355 HA VAL 47 HA VAL 47 -1.489 -6.470 -3.292 356 HB VAL 47 HB VAL 47 -0.259 -7.032 -0.602 357 HG11 VAL 47 HG11 VAL 47 1.022 -5.006 -1.097 358 HG12 VAL 47 HG12 VAL 47 0.166 -4.844 -2.631 359 HG13 VAL 47 HG13 VAL 47 1.222 -6.229 -2.353 360 HG21 VAL 47 HG21 VAL 47 -1.086 -4.878 0.191 361 HG22 VAL 47 HG22 VAL 47 -2.413 -5.982 -0.170 362 HG23 VAL 47 HG23 VAL 47 -2.014 -4.685 -1.297 363 H THR 48 HN THR 48 0.337 -7.357 -4.340 364 HA THR 48 HA THR 48 0.573 -10.269 -4.027 365 HB THR 48 HB THR 48 2.026 -8.742 -6.146 366 HG1 THR 48 HG1 THR 48 0.072 -7.899 -6.549 367 HG21 THR 48 HG21 THR 48 0.658 -11.439 -6.090 368 HG22 THR 48 HG22 THR 48 2.390 -11.149 -5.919 369 HG23 THR 48 HG23 THR 48 1.578 -10.782 -7.442 370 HA PRO 49 HA PRO 49 4.312 -9.449 -1.691 371 HB2 PRO 49 HB2 PRO 49 5.296 -12.006 -1.801 372 HB3 PRO 49 HB1 PRO 49 4.055 -11.475 -0.662 373 HG2 PRO 49 HG2 PRO 49 3.748 -12.941 -3.252 374 HG3 PRO 49 HG1 PRO 49 2.911 -13.203 -1.704 375 HD2 PRO 49 HD2 PRO 49 1.750 -11.889 -3.750 376 HD3 PRO 49 HD1 PRO 49 1.449 -11.449 -2.057 377 H GLY 50 HN GLY 50 5.871 -8.302 -2.753 378 HA2 GLY 50 HA2 GLY 50 8.051 -8.563 -3.819 379 HA3 GLY 50 HA1 GLY 50 7.338 -9.790 -4.862 380 H GLU 51 HN GLU 51 6.298 -6.435 -4.060 381 HA GLU 51 HA GLU 51 6.107 -6.051 -6.959 382 HB2 GLU 51 HB2 GLU 51 3.961 -5.196 -5.023 383 HB3 GLU 51 HB1 GLU 51 4.071 -4.670 -6.694 384 HG2 GLU 51 HG2 GLU 51 3.998 -7.166 -7.254 385 HG3 GLU 51 HG1 GLU 51 3.444 -7.339 -5.594 386 H THR 52 HN THR 52 5.548 -3.659 -7.353 387 HA THR 52 HA THR 52 6.743 -2.035 -5.313 388 HB THR 52 HB THR 52 8.566 -2.130 -6.852 389 HG1 THR 52 HG1 THR 52 8.048 0.239 -7.859 390 HG21 THR 52 HG21 THR 52 8.376 -1.572 -9.222 391 HG22 THR 52 HG22 THR 52 6.635 -1.358 -9.039 392 HG23 THR 52 HG23 THR 52 7.354 -2.951 -8.814 393 H LEU 53 HN LEU 53 4.905 -1.287 -4.617 394 HA LEU 53 HA LEU 53 2.611 -0.492 -6.079 395 HB2 LEU 53 HB2 LEU 53 3.662 -0.245 -3.325 396 HB3 LEU 53 HB1 LEU 53 2.485 0.959 -3.828 397 HG LEU 53 HG LEU 53 2.026 -2.001 -3.939 398 HD11 LEU 53 HD11 LEU 53 1.045 0.034 -1.943 399 HD12 LEU 53 HD12 LEU 53 2.231 -1.233 -1.625 400 HD13 LEU 53 HD13 LEU 53 0.565 -1.661 -2.011 401 HD21 LEU 53 HD21 LEU 53 -0.310 -1.281 -4.283 402 HD22 LEU 53 HD22 LEU 53 0.765 -0.733 -5.572 403 HD23 LEU 53 HD23 LEU 53 0.245 0.397 -4.318 404 H SER 54 HN SER 54 1.957 1.627 -6.678 405 HA SER 54 HA SER 54 3.832 3.732 -6.020 406 HB2 SER 54 HB2 SER 54 1.848 3.649 -8.286 407 HB3 SER 54 HB1 SER 54 3.044 4.922 -8.001 408 HG SER 54 HG SER 54 4.321 2.601 -8.036 409 H VAL 55 HN VAL 55 3.241 5.387 -4.735 410 HA VAL 55 HA VAL 55 0.454 5.208 -3.802 411 HB VAL 55 HB VAL 55 2.784 6.150 -2.168 412 HG11 VAL 55 HG11 VAL 55 1.292 5.718 -0.284 413 HG12 VAL 55 HG12 VAL 55 0.030 5.214 -1.409 414 HG13 VAL 55 HG13 VAL 55 0.595 6.885 -1.409 415 HG21 VAL 55 HG21 VAL 55 3.346 3.920 -2.678 416 HG22 VAL 55 HG22 VAL 55 1.683 3.378 -2.468 417 HG23 VAL 55 HG23 VAL 55 2.627 3.885 -1.067 418 H ASN 56 HN ASN 56 -0.741 6.883 -4.224 419 HA ASN 56 HA ASN 56 0.493 9.481 -4.808 420 HB2 ASN 56 HB2 ASN 56 -0.317 8.702 -6.817 421 HB3 ASN 56 HB1 ASN 56 -1.601 7.772 -6.064 422 HD21 ASN 56 HD21 ASN 56 -3.516 8.752 -5.554 423 HD22 ASN 56 HD22 ASN 56 -3.970 10.293 -6.196 424 H TRP 57 HN TRP 57 -0.156 11.153 -3.350 425 HA TRP 57 HA TRP 57 -3.042 11.183 -2.946 426 HB2 TRP 57 HB2 TRP 57 -2.893 11.479 -0.640 427 HB3 TRP 57 HB1 TRP 57 -1.775 10.191 -1.053 428 HD1 TRP 57 HD1 TRP 57 -1.848 13.826 0.020 429 HE1 TRP 57 HE1 TRP 57 0.343 14.430 1.195 430 HE3 TRP 57 HE3 TRP 57 0.708 9.455 -0.705 431 HZ2 TRP 57 HZ2 TRP 57 2.737 13.248 1.726 432 HZ3 TRP 57 HZ3 TRP 57 2.983 9.324 0.255 433 HH2 TRP 57 HH2 TRP 57 3.980 11.171 1.437 434 H ASP 58 HN ASP 58 -2.868 13.614 -1.178 435 HA ASP 58 HA ASP 58 -3.037 15.820 -2.560 436 HB2 ASP 58 HB2 ASP 58 -1.245 15.453 -0.160 437 HB3 ASP 58 HB1 ASP 58 -1.569 17.032 -0.854 438 H GLY 59 HN GLY 59 0.311 14.801 -1.586 439 HA2 GLY 59 HA2 GLY 59 1.386 16.473 -3.742 440 HA3 GLY 59 HA1 GLY 59 2.315 15.452 -2.637 441 H LYS 60 HN LYS 60 -0.215 13.768 -3.776 442 HA LYS 60 HA LYS 60 -0.568 12.106 -5.191 443 HB2 LYS 60 HB2 LYS 60 1.221 13.788 -6.870 444 HB3 LYS 60 HB1 LYS 60 0.311 12.400 -7.483 445 HG2 LYS 60 HG2 LYS 60 -1.645 13.662 -6.147 446 HG3 LYS 60 HG1 LYS 60 -0.634 15.053 -6.612 447 HD2 LYS 60 HD2 LYS 60 -0.736 14.476 -8.939 448 HD3 LYS 60 HD1 LYS 60 -1.559 12.958 -8.579 449 HE2 LYS 60 HE2 LYS 60 -2.705 15.651 -7.900 450 HE3 LYS 60 HE1 LYS 60 -3.006 14.844 -9.435 451 HZ1 LYS 60 HZ1 LYS 60 -4.004 13.003 -8.262 452 HZ2 LYS 60 HZ2 LYS 60 -4.772 14.446 -7.813 453 HZ3 LYS 60 HZ3 LYS 60 -3.663 13.717 -6.765 454 H ILE 61 HN ILE 61 2.054 11.641 -6.973 455 HA ILE 61 HA ILE 61 2.278 9.134 -5.538 456 HB ILE 61 HB ILE 61 2.137 9.576 -8.385 457 HG12 ILE 61 HG12 ILE 61 2.738 6.952 -7.060 458 HG13 ILE 61 HG11 ILE 61 1.167 7.711 -6.836 459 HG21 ILE 61 HG21 ILE 61 4.693 8.251 -7.490 460 HG22 ILE 61 HG22 ILE 61 4.564 9.759 -8.396 461 HG23 ILE 61 HG23 ILE 61 4.049 8.241 -9.133 462 HD11 ILE 61 HD11 ILE 61 1.116 6.066 -8.616 463 HD12 ILE 61 HD12 ILE 61 2.404 6.918 -9.467 464 HD13 ILE 61 HD13 ILE 61 0.827 7.681 -9.260 465 H GLN 62 HN GLN 62 3.750 9.405 -4.084 466 HA GLN 62 HA GLN 62 5.997 11.094 -4.827 467 HB2 GLN 62 HB2 GLN 62 5.475 11.329 -1.995 468 HB3 GLN 62 HB1 GLN 62 5.816 12.525 -3.230 469 HG2 GLN 62 HG2 GLN 62 3.456 12.552 -3.863 470 HG3 GLN 62 HG1 GLN 62 3.105 11.522 -2.456 471 HE21 GLN 62 HE21 GLN 62 1.871 13.252 -1.511 472 HE22 GLN 62 HE22 GLN 62 2.673 14.610 -0.771 473 H CYS 63 HN CYS 63 4.740 8.606 -2.805 474 HA CYS 63 HA CYS 63 7.436 7.479 -2.690 475 HB2 CYS 63 HB2 CYS 63 7.076 6.530 -0.566 476 HB3 CYS 63 HB1 CYS 63 6.658 8.237 -0.430 477 H GLN 64 HN GLN 64 7.300 5.088 -2.502 478 HA GLN 64 HA GLN 64 4.955 4.096 -3.847 479 HB2 GLN 64 HB2 GLN 64 7.764 3.674 -4.853 480 HB3 GLN 64 HB1 GLN 64 6.384 2.693 -5.342 481 HG2 GLN 64 HG2 GLN 64 5.255 4.756 -6.085 482 HG3 GLN 64 HG1 GLN 64 6.746 5.618 -5.722 483 HE21 GLN 64 HE21 GLN 64 6.715 2.392 -7.000 484 HE22 GLN 64 HE22 GLN 64 7.330 2.775 -8.571 485 H VAL 65 HN VAL 65 5.211 1.508 -3.699 486 HA VAL 65 HA VAL 65 6.221 1.412 -1.051 487 HB VAL 65 HB VAL 65 3.471 0.579 -1.762 488 HG11 VAL 65 HG11 VAL 65 5.123 -0.864 0.317 489 HG12 VAL 65 HG12 VAL 65 4.487 -1.572 -1.167 490 HG13 VAL 65 HG13 VAL 65 3.381 -1.027 0.093 491 HG21 VAL 65 HG21 VAL 65 3.880 2.548 -0.457 492 HG22 VAL 65 HG22 VAL 65 4.842 1.616 0.688 493 HG23 VAL 65 HG23 VAL 65 3.107 1.323 0.551 494 H ASN 66 HN ASN 66 7.407 -0.325 -0.525 495 HA ASN 66 HA ASN 66 7.893 -2.091 -2.789 496 HB2 ASN 66 HB2 ASN 66 9.881 -0.993 -1.783 497 HB3 ASN 66 HB1 ASN 66 9.522 -1.807 -0.257 498 HD21 ASN 66 HD21 ASN 66 10.522 -2.251 -3.577 499 HD22 ASN 66 HD22 ASN 66 11.248 -3.807 -3.346 500 H VAL 67 HN VAL 67 6.912 -4.020 -2.798 501 HA VAL 67 HA VAL 67 5.671 -4.905 -0.297 502 HB VAL 67 HB VAL 67 4.964 -5.880 -3.037 503 HG11 VAL 67 HG11 VAL 67 2.967 -6.738 -1.914 504 HG12 VAL 67 HG12 VAL 67 3.574 -6.125 -0.375 505 HG13 VAL 67 HG13 VAL 67 4.440 -7.411 -1.217 506 HG21 VAL 67 HG21 VAL 67 3.595 -3.767 -1.381 507 HG22 VAL 67 HG22 VAL 67 2.973 -4.459 -2.878 508 HG23 VAL 67 HG23 VAL 67 4.456 -3.503 -2.895 509 HA PRO 68 HA PRO 68 8.814 -8.068 -0.409 510 HB2 PRO 68 HB2 PRO 68 8.080 -8.626 2.319 511 HB3 PRO 68 HB1 PRO 68 9.531 -7.819 1.723 512 HG2 PRO 68 HG2 PRO 68 7.571 -6.572 3.181 513 HG3 PRO 68 HG1 PRO 68 8.659 -5.738 2.059 514 HD2 PRO 68 HD2 PRO 68 5.836 -6.650 1.634 515 HD3 PRO 68 HD1 PRO 68 6.619 -5.132 1.137 516 H GLU 69 HN GLU 69 8.713 -10.416 0.623 517 HA GLU 69 HA GLU 69 6.528 -11.656 -0.827 518 HB2 GLU 69 HB2 GLU 69 8.852 -12.877 0.671 519 HB3 GLU 69 HB1 GLU 69 7.705 -13.756 -0.329 520 HG2 GLU 69 HG2 GLU 69 8.446 -12.538 -2.291 521 HG3 GLU 69 HG1 GLU 69 9.572 -11.608 -1.301 522 H THR 70 HN THR 70 7.145 -10.674 2.359 523 HA THR 70 HA THR 70 5.581 -12.643 3.631 524 HB THR 70 HB THR 70 7.351 -11.403 4.791 525 HG1 THR 70 HG1 THR 70 4.737 -11.086 5.891 526 HG21 THR 70 HG21 THR 70 5.468 -9.048 4.603 527 HG22 THR 70 HG22 THR 70 7.028 -9.206 3.794 528 HG23 THR 70 HG23 THR 70 6.954 -9.099 5.552 529 H ALA 71 HN ALA 71 4.179 -11.104 1.458 530 HA ALA 71 HA ALA 71 2.205 -9.411 2.723 531 HB1 ALA 71 HB1 ALA 71 2.239 -10.622 -0.039 532 HB2 ALA 71 HB2 ALA 71 2.839 -9.021 0.393 533 HB3 ALA 71 HB3 ALA 71 1.120 -9.389 0.542 534 H ILE 72 HN ILE 72 -0.171 -10.050 2.578 535 HA ILE 72 HA ILE 72 -0.633 -12.825 2.877 536 HB ILE 72 HB ILE 72 0.452 -12.173 5.070 537 HG12 ILE 72 HG12 ILE 72 -2.372 -13.221 5.333 538 HG13 ILE 72 HG11 ILE 72 -1.029 -14.183 4.723 539 HG21 ILE 72 HG21 ILE 72 -0.946 -11.027 6.722 540 HG22 ILE 72 HG22 ILE 72 -2.172 -10.747 5.485 541 HG23 ILE 72 HG23 ILE 72 -0.587 -9.990 5.341 542 HD11 ILE 72 HD11 ILE 72 -1.451 -14.665 7.049 543 HD12 ILE 72 HD12 ILE 72 -1.242 -12.964 7.463 544 HD13 ILE 72 HD13 ILE 72 0.126 -13.900 6.856 545 H SER 73 HN SER 73 -2.952 -13.227 3.571 546 HA SER 73 HA SER 73 -4.618 -11.264 2.192 547 HB2 SER 73 HB2 SER 73 -4.615 -13.559 1.343 548 HB3 SER 73 HB1 SER 73 -5.127 -14.159 2.920 549 HG SER 73 HG SER 73 -7.096 -13.271 2.643 550 H ASP 74 HN ASP 74 -6.597 -10.506 2.997 551 HA ASP 74 HA ASP 74 -7.906 -9.574 4.642 552 HB2 ASP 74 HB2 ASP 74 -7.876 -12.520 5.009 553 HB3 ASP 74 HB1 ASP 74 -8.682 -11.566 6.247 554 H GLN 75 HN GLN 75 -5.049 -9.404 5.460 555 HA GLN 75 HA GLN 75 -5.543 -9.154 8.309 556 HB2 GLN 75 HB2 GLN 75 -3.122 -10.598 7.215 557 HB3 GLN 75 HB1 GLN 75 -3.274 -10.037 8.876 558 HG2 GLN 75 HG2 GLN 75 -5.261 -11.480 9.146 559 HG3 GLN 75 HG1 GLN 75 -5.015 -12.081 7.508 560 HE21 GLN 75 HE21 GLN 75 -2.407 -11.361 9.739 561 HE22 GLN 75 HE22 GLN 75 -1.904 -13.008 9.965 562 H GLN 76 HN GLN 76 -3.375 -8.030 9.262 563 HA GLN 76 HA GLN 76 -3.234 -5.579 7.659 564 HB2 GLN 76 HB2 GLN 76 -2.483 -6.104 10.535 565 HB3 GLN 76 HB1 GLN 76 -2.226 -4.576 9.709 566 HG2 GLN 76 HG2 GLN 76 -4.716 -4.543 9.285 567 HG3 GLN 76 HG1 GLN 76 -4.829 -5.883 10.425 568 HE21 GLN 76 HE21 GLN 76 -5.907 -3.166 10.577 569 HE22 GLN 76 HE22 GLN 76 -5.283 -2.494 12.055 570 H LEU 77 HN LEU 77 -1.271 -4.705 7.042 571 HA LEU 77 HA LEU 77 1.167 -6.036 7.730 572 HB2 LEU 77 HB2 LEU 77 0.405 -7.451 5.860 573 HB3 LEU 77 HB1 LEU 77 0.278 -6.030 4.843 574 HG LEU 77 HG LEU 77 2.743 -5.692 5.123 575 HD11 LEU 77 HD11 LEU 77 2.624 -8.444 6.349 576 HD12 LEU 77 HD12 LEU 77 3.021 -6.952 7.202 577 HD13 LEU 77 HD13 LEU 77 4.088 -7.552 5.932 578 HD21 LEU 77 HD21 LEU 77 1.783 -6.762 3.137 579 HD22 LEU 77 HD22 LEU 77 1.903 -8.331 3.934 580 HD23 LEU 77 HD23 LEU 77 3.364 -7.429 3.542 581 H LEU 78 HN LEU 78 2.636 -4.424 7.919 582 HA LEU 78 HA LEU 78 1.777 -1.872 6.832 583 HB2 LEU 78 HB2 LEU 78 3.389 -0.757 8.278 584 HB3 LEU 78 HB1 LEU 78 2.273 -1.729 9.208 585 HG LEU 78 HG LEU 78 4.379 -1.907 10.253 586 HD11 LEU 78 HD11 LEU 78 3.982 -4.408 8.632 587 HD12 LEU 78 HD12 LEU 78 3.225 -4.020 10.177 588 HD13 LEU 78 HD13 LEU 78 4.969 -4.273 10.087 589 HD21 LEU 78 HD21 LEU 78 5.582 -2.582 7.579 590 HD22 LEU 78 HD22 LEU 78 6.437 -2.611 9.120 591 HD23 LEU 78 HD23 LEU 78 5.806 -1.089 8.490 592 H LEU 79 HN LEU 79 3.258 -0.661 5.521 593 HA LEU 79 HA LEU 79 5.266 -2.344 4.248 594 HB2 LEU 79 HB2 LEU 79 2.988 -1.015 2.790 595 HB3 LEU 79 HB1 LEU 79 4.404 -1.681 2.000 596 HG LEU 79 HG LEU 79 2.411 -3.264 3.628 597 HD11 LEU 79 HD11 LEU 79 1.459 -2.496 1.526 598 HD12 LEU 79 HD12 LEU 79 1.765 -4.233 1.476 599 HD13 LEU 79 HD13 LEU 79 2.857 -3.122 0.651 600 HD21 LEU 79 HD21 LEU 79 3.601 -5.213 2.755 601 HD22 LEU 79 HD22 LEU 79 4.653 -4.202 3.744 602 HD23 LEU 79 HD23 LEU 79 4.777 -4.151 1.985 603 HA PRO 80 HA PRO 80 7.579 1.384 4.108 604 HB2 PRO 80 HB2 PRO 80 9.455 0.689 2.299 605 HB3 PRO 80 HB1 PRO 80 9.395 -0.008 3.923 606 HG2 PRO 80 HG2 PRO 80 8.452 -1.152 1.329 607 HG3 PRO 80 HG1 PRO 80 9.294 -1.954 2.674 608 HD2 PRO 80 HD2 PRO 80 6.590 -2.115 2.256 609 HD3 PRO 80 HD1 PRO 80 7.360 -2.289 3.843 610 H CYS 81 HN CYS 81 6.633 3.060 3.325 611 HA CYS 81 HA CYS 81 6.187 3.474 0.445 612 HB2 CYS 81 HB2 CYS 81 4.319 4.351 1.408 613 HB3 CYS 81 HB1 CYS 81 5.082 4.486 2.982 614 H THR 82 HN THR 82 8.188 3.609 -0.292 615 HA THR 82 HA THR 82 10.101 5.413 0.955 616 HB THR 82 HB THR 82 10.499 3.556 -1.400 617 HG1 THR 82 HG1 THR 82 11.307 2.085 0.159 618 HG21 THR 82 HG21 THR 82 12.207 5.304 -1.181 619 HG22 THR 82 HG22 THR 82 12.873 3.715 -0.803 620 HG23 THR 82 HG23 THR 82 12.472 4.836 0.498 621 HA PRO 83 HA PRO 83 9.108 8.652 -1.971 622 HB2 PRO 83 HB2 PRO 83 11.770 9.664 -1.148 623 HB3 PRO 83 HB1 PRO 83 10.195 10.463 -1.086 624 HG2 PRO 83 HG2 PRO 83 11.386 9.594 1.139 625 HG3 PRO 83 HG1 PRO 83 9.629 9.478 0.930 626 HD2 PRO 83 HD2 PRO 83 11.713 7.350 0.659 627 HD3 PRO 83 HD1 PRO 83 10.097 7.256 1.391 628 H GLN 84 HN GLN 84 9.827 9.310 -4.007 629 HA GLN 84 HA GLN 84 11.411 7.398 -5.442 630 HB2 GLN 84 HB2 GLN 84 10.264 10.078 -6.255 631 HB3 GLN 84 HB1 GLN 84 11.063 8.956 -7.358 632 HG2 GLN 84 HG2 GLN 84 9.356 7.313 -7.019 633 HG3 GLN 84 HG1 GLN 84 8.609 8.285 -5.751 634 HE21 GLN 84 HE21 GLN 84 7.434 10.098 -6.298 635 HE22 GLN 84 HE22 GLN 84 6.876 10.383 -7.917 636 H LYS 85 HN LYS 85 11.994 10.395 -3.839 637 HA LYS 85 HA LYS 85 14.711 10.488 -4.952 638 HB2 LYS 85 HB2 LYS 85 12.831 12.686 -4.256 639 HB3 LYS 85 HB1 LYS 85 14.526 12.928 -3.857 640 HG2 LYS 85 HG2 LYS 85 13.935 13.867 -6.045 641 HG3 LYS 85 HG1 LYS 85 15.160 12.604 -6.168 642 HD2 LYS 85 HD2 LYS 85 13.364 10.997 -6.767 643 HD3 LYS 85 HD1 LYS 85 12.217 12.338 -6.772 644 HE2 LYS 85 HE2 LYS 85 13.444 13.426 -8.552 645 HE3 LYS 85 HE1 LYS 85 14.683 12.173 -8.501 646 HZ1 LYS 85 HZ1 LYS 85 13.029 10.552 -9.193 647 HZ2 LYS 85 HZ2 LYS 85 13.134 11.816 -10.317 648 HZ3 LYS 85 HZ3 LYS 85 11.832 11.753 -9.234 Start of MODEL 2 1 H1 VAL 1 HT1 VAL 1 1.051 -21.566 -3.409 2 H2 VAL 1 HT2 VAL 1 1.182 -20.109 -2.547 3 H3 VAL 1 HT3 VAL 1 2.212 -20.418 -3.859 4 HA VAL 1 HA VAL 1 0.474 -20.269 -5.413 5 HB VAL 1 HB VAL 1 -1.842 -19.761 -4.743 6 HG11 VAL 1 HG11 VAL 1 -2.447 -21.994 -3.947 7 HG12 VAL 1 HG12 VAL 1 -0.759 -22.299 -3.535 8 HG13 VAL 1 HG13 VAL 1 -1.227 -22.058 -5.220 9 HG21 VAL 1 HG21 VAL 1 -1.446 -18.730 -2.581 10 HG22 VAL 1 HG22 VAL 1 -0.864 -20.263 -1.932 11 HG23 VAL 1 HG23 VAL 1 -2.552 -20.093 -2.410 12 H LEU 2 HN LEU 2 -0.761 -18.150 -5.955 13 HA LEU 2 HA LEU 2 0.672 -15.908 -5.389 14 HB2 LEU 2 HB2 LEU 2 -2.295 -15.985 -5.972 15 HB3 LEU 2 HB1 LEU 2 -1.240 -14.602 -6.197 16 HG LEU 2 HG LEU 2 -1.074 -17.212 -7.714 17 HD11 LEU 2 HD11 LEU 2 -2.997 -15.830 -8.339 18 HD12 LEU 2 HD12 LEU 2 -1.796 -15.893 -9.627 19 HD13 LEU 2 HD13 LEU 2 -1.923 -14.459 -8.608 20 HD21 LEU 2 HD21 LEU 2 0.624 -16.101 -9.063 21 HD22 LEU 2 HD22 LEU 2 1.130 -16.199 -7.376 22 HD23 LEU 2 HD23 LEU 2 0.529 -14.675 -8.031 23 H LYS 3 HN LYS 3 1.032 -14.796 -3.607 24 HA LYS 3 HA LYS 3 -0.484 -15.536 -1.269 25 HB2 LYS 3 HB2 LYS 3 2.217 -14.449 -1.801 26 HB3 LYS 3 HB1 LYS 3 1.507 -14.111 -0.229 27 HG2 LYS 3 HG2 LYS 3 1.762 -16.875 -1.386 28 HG3 LYS 3 HG1 LYS 3 2.961 -16.134 -0.324 29 HD2 LYS 3 HD2 LYS 3 0.073 -16.715 0.336 30 HD3 LYS 3 HD1 LYS 3 1.491 -17.542 0.982 31 HE2 LYS 3 HE2 LYS 3 0.724 -14.656 1.424 32 HE3 LYS 3 HE1 LYS 3 0.645 -15.957 2.608 33 HZ1 LYS 3 HZ1 LYS 3 3.122 -14.894 1.354 34 HZ2 LYS 3 HZ2 LYS 3 3.060 -16.173 2.466 35 HZ3 LYS 3 HZ3 LYS 3 2.606 -14.609 2.941 36 H GLY 4 HN GLY 4 -2.204 -13.920 -2.401 37 HA2 GLY 4 HA2 GLY 4 -2.385 -12.123 -0.286 38 HA3 GLY 4 HA1 GLY 4 -2.274 -11.155 -1.727 39 H LYS 5 HN LYS 5 -4.158 -10.504 -0.797 40 HA LYS 5 HA LYS 5 -6.477 -11.661 -1.808 41 HB2 LYS 5 HB2 LYS 5 -5.957 -13.046 0.367 42 HB3 LYS 5 HB1 LYS 5 -6.443 -11.579 1.209 43 HG2 LYS 5 HG2 LYS 5 -8.637 -11.684 0.325 44 HG3 LYS 5 HG1 LYS 5 -8.184 -12.933 -0.835 45 HD2 LYS 5 HD2 LYS 5 -7.814 -14.510 0.972 46 HD3 LYS 5 HD1 LYS 5 -8.176 -13.260 2.162 47 HE2 LYS 5 HE2 LYS 5 -10.102 -14.288 0.083 48 HE3 LYS 5 HE1 LYS 5 -10.067 -14.799 1.767 49 HZ1 LYS 5 HZ1 LYS 5 -10.451 -12.414 2.358 50 HZ2 LYS 5 HZ2 LYS 5 -11.740 -13.165 1.555 51 HZ3 LYS 5 HZ3 LYS 5 -10.725 -12.103 0.711 52 H ARG 6 HN ARG 6 -7.064 -9.950 0.941 53 HA ARG 6 HA ARG 6 -7.411 -7.726 -0.747 54 HB2 ARG 6 HB2 ARG 6 -9.451 -7.088 -0.102 55 HB3 ARG 6 HB1 ARG 6 -9.707 -8.813 0.181 56 HG2 ARG 6 HG2 ARG 6 -9.683 -8.582 2.454 57 HG3 ARG 6 HG1 ARG 6 -8.617 -7.186 2.365 58 HD2 ARG 6 HD2 ARG 6 -10.591 -6.209 3.010 59 HD3 ARG 6 HD1 ARG 6 -10.609 -6.004 1.257 60 HE ARG 6 HE ARG 6 -11.886 -8.418 1.836 61 HH11 ARG 6 HH11 ARG 6 -12.437 -4.983 2.313 62 HH12 ARG 6 HH12 ARG 6 -14.167 -5.139 2.300 63 HH21 ARG 6 HH21 ARG 6 -14.138 -8.611 1.810 64 HH22 ARG 6 HH22 ARG 6 -15.132 -7.197 2.011 65 H LEU 7 HN LEU 7 -7.775 -5.928 1.133 66 HA LEU 7 HA LEU 7 -5.080 -6.216 2.094 67 HB2 LEU 7 HB2 LEU 7 -5.956 -5.536 -0.269 68 HB3 LEU 7 HB1 LEU 7 -6.139 -3.962 0.497 69 HG LEU 7 HG LEU 7 -3.692 -5.555 0.674 70 HD11 LEU 7 HD11 LEU 7 -4.125 -5.181 -1.709 71 HD12 LEU 7 HD12 LEU 7 -2.793 -4.153 -1.178 72 HD13 LEU 7 HD13 LEU 7 -4.402 -3.465 -1.410 73 HD21 LEU 7 HD21 LEU 7 -2.961 -3.012 0.960 74 HD22 LEU 7 HD22 LEU 7 -3.773 -3.855 2.283 75 HD23 LEU 7 HD23 LEU 7 -4.704 -2.777 1.232 76 H PHE 8 HN PHE 8 -5.147 -5.699 4.328 77 HA PHE 8 HA PHE 8 -5.877 -2.876 4.774 78 HB2 PHE 8 HB2 PHE 8 -5.144 -4.811 6.970 79 HB3 PHE 8 HB1 PHE 8 -6.112 -3.341 7.073 80 HD1 PHE 8 HD2 PHE 8 -8.009 -3.942 4.774 81 HD2 PHE 8 HD1 PHE 8 -6.582 -6.339 7.984 82 HE1 PHE 8 HE2 PHE 8 -10.047 -5.313 4.652 83 HE2 PHE 8 HE1 PHE 8 -8.616 -7.716 7.866 84 HZ PHE 8 HZ PHE 8 -10.352 -7.204 6.198 85 H ALA 9 HN ALA 9 -4.023 -1.827 4.012 86 HA ALA 9 HA ALA 9 -1.428 -3.002 4.791 87 HB1 ALA 9 HB1 ALA 9 -1.991 -1.052 2.565 88 HB2 ALA 9 HB2 ALA 9 -1.800 -2.796 2.379 89 HB3 ALA 9 HB3 ALA 9 -0.440 -1.812 2.927 90 H ILE 10 HN ILE 10 -0.623 -2.075 6.569 91 HA ILE 10 HA ILE 10 -1.174 0.749 7.141 92 HB ILE 10 HB ILE 10 0.397 -1.222 8.821 93 HG12 ILE 10 HG12 ILE 10 -2.472 -0.297 9.140 94 HG13 ILE 10 HG11 ILE 10 -1.973 -1.898 8.601 95 HG21 ILE 10 HG21 ILE 10 0.081 0.456 10.600 96 HG22 ILE 10 HG22 ILE 10 -0.714 1.517 9.436 97 HG23 ILE 10 HG23 ILE 10 0.988 1.100 9.230 98 HD11 ILE 10 HD11 ILE 10 -0.929 -2.311 10.755 99 HD12 ILE 10 HD12 ILE 10 -2.634 -1.895 10.943 100 HD13 ILE 10 HD13 ILE 10 -1.388 -0.697 11.296 101 H LEU 11 HN LEU 11 0.304 2.141 6.127 102 HA LEU 11 HA LEU 11 2.882 1.002 5.544 103 HB2 LEU 11 HB2 LEU 11 2.511 2.641 3.372 104 HB3 LEU 11 HB1 LEU 11 2.461 0.891 3.357 105 HG LEU 11 HG LEU 11 -0.027 1.053 3.737 106 HD11 LEU 11 HD11 LEU 11 -1.110 3.165 3.170 107 HD12 LEU 11 HD12 LEU 11 0.465 3.950 3.078 108 HD13 LEU 11 HD13 LEU 11 -0.114 3.313 4.618 109 HD21 LEU 11 HD21 LEU 11 1.116 2.268 1.228 110 HD22 LEU 11 HD22 LEU 11 -0.514 1.617 1.396 111 HD23 LEU 11 HD23 LEU 11 0.880 0.550 1.553 112 H ARG 12 HN ARG 12 4.494 2.418 5.704 113 HA ARG 12 HA ARG 12 3.816 5.198 6.479 114 HB2 ARG 12 HB2 ARG 12 5.846 3.399 7.826 115 HB3 ARG 12 HB1 ARG 12 5.449 5.044 8.288 116 HG2 ARG 12 HG2 ARG 12 3.505 2.750 8.371 117 HG3 ARG 12 HG1 ARG 12 4.466 3.295 9.747 118 HD2 ARG 12 HD2 ARG 12 2.464 4.958 8.222 119 HD3 ARG 12 HD1 ARG 12 2.197 4.216 9.797 120 HE ARG 12 HE ARG 12 4.331 6.203 9.400 121 HH11 ARG 12 HH11 ARG 12 1.472 5.105 11.088 122 HH12 ARG 12 HH12 ARG 12 1.501 6.400 12.247 123 HH21 ARG 12 HH21 ARG 12 4.391 7.890 10.936 124 HH22 ARG 12 HH22 ARG 12 3.170 7.968 12.174 125 H LEU 13 HN LEU 13 5.509 6.755 6.188 126 HA LEU 13 HA LEU 13 7.378 6.306 4.068 127 HB2 LEU 13 HB2 LEU 13 6.653 8.580 5.872 128 HB3 LEU 13 HB1 LEU 13 8.224 8.575 5.102 129 HG LEU 13 HG LEU 13 6.696 9.976 3.898 130 HD11 LEU 13 HD11 LEU 13 6.946 9.062 1.670 131 HD12 LEU 13 HD12 LEU 13 7.258 7.466 2.350 132 HD13 LEU 13 HD13 LEU 13 8.397 8.783 2.633 133 HD21 LEU 13 HD21 LEU 13 4.941 7.554 3.600 134 HD22 LEU 13 HD22 LEU 13 4.734 9.055 2.702 135 HD23 LEU 13 HD23 LEU 13 4.550 9.049 4.454 136 H ALA 14 HN ALA 14 9.433 5.983 4.420 137 HA ALA 14 HA ALA 14 10.431 4.727 6.639 138 HB1 ALA 14 HB1 ALA 14 11.511 4.636 4.444 139 HB2 ALA 14 HB2 ALA 14 12.664 5.043 5.714 140 HB3 ALA 14 HB3 ALA 14 12.053 6.302 4.642 141 H ASP 15 HN ASP 15 10.438 8.154 5.916 142 HA ASP 15 HA ASP 15 12.024 9.039 7.995 143 HB2 ASP 15 HB2 ASP 15 9.663 10.411 6.691 144 HB3 ASP 15 HB1 ASP 15 10.863 11.216 7.711 145 H GLY 16 HN GLY 16 8.790 7.865 8.098 146 HA2 GLY 16 HA2 GLY 16 8.016 7.153 10.368 147 HA3 GLY 16 HA1 GLY 16 8.589 8.731 10.917 148 H SER 17 HN SER 17 7.604 9.576 8.077 149 HA SER 17 HA SER 17 5.020 10.414 8.874 150 HB2 SER 17 HB2 SER 17 5.162 11.124 6.267 151 HB3 SER 17 HB1 SER 17 5.956 12.020 7.567 152 HG SER 17 HG SER 17 7.267 11.365 5.651 153 H GLN 18 HN GLN 18 3.444 10.282 6.619 154 HA GLN 18 HA GLN 18 3.036 7.376 6.274 155 HB2 GLN 18 HB2 GLN 18 1.350 9.557 7.243 156 HB3 GLN 18 HB1 GLN 18 0.587 8.488 6.062 157 HG2 GLN 18 HG2 GLN 18 0.531 6.751 7.525 158 HG3 GLN 18 HG1 GLN 18 2.058 7.195 8.284 159 HE21 GLN 18 HE21 GLN 18 -0.517 6.443 9.484 160 HE22 GLN 18 HE22 GLN 18 -0.931 7.759 10.544 161 HA PRO 19 HA PRO 19 1.311 8.308 2.202 162 HB2 PRO 19 HB2 PRO 19 0.425 5.566 2.204 163 HB3 PRO 19 HB1 PRO 19 1.601 6.309 1.121 164 HG2 PRO 19 HG2 PRO 19 2.179 4.395 3.040 165 HG3 PRO 19 HG1 PRO 19 3.358 5.480 2.286 166 HD2 PRO 19 HD2 PRO 19 2.112 5.609 4.973 167 HD3 PRO 19 HD1 PRO 19 3.698 6.192 4.432 168 HA PRO 20 HA PRO 20 -2.022 8.386 5.173 169 HB2 PRO 20 HB2 PRO 20 -2.360 10.995 5.114 170 HB3 PRO 20 HB1 PRO 20 -0.803 10.339 5.597 171 HG2 PRO 20 HG2 PRO 20 -1.593 11.652 3.058 172 HG3 PRO 20 HG1 PRO 20 -0.029 11.648 3.893 173 HD2 PRO 20 HD2 PRO 20 -0.930 9.914 1.784 174 HD3 PRO 20 HD1 PRO 20 0.657 9.930 2.592 175 H PHE 21 HN PHE 21 -4.245 9.786 5.059 176 HA PHE 21 HA PHE 21 -5.925 8.109 3.766 177 HB2 PHE 21 HB2 PHE 21 -6.823 9.408 5.432 178 HB3 PHE 21 HB1 PHE 21 -6.209 10.872 4.714 179 HD1 PHE 21 HD2 PHE 21 -8.712 8.197 4.203 180 HD2 PHE 21 HD1 PHE 21 -7.609 12.229 3.416 181 HE1 PHE 21 HE2 PHE 21 -10.914 8.595 3.187 182 HE2 PHE 21 HE1 PHE 21 -9.815 12.635 2.401 183 HZ PHE 21 HZ PHE 21 -11.467 10.817 2.286 184 H GLY 22 HN GLY 22 -5.947 7.595 1.673 185 HA2 GLY 22 HA2 GLY 22 -7.186 8.029 -0.353 186 HA3 GLY 22 HA1 GLY 22 -6.650 9.690 -0.233 187 H ALA 23 HN ALA 23 -4.108 8.035 0.866 188 HA ALA 23 HA ALA 23 -2.522 8.007 -1.260 189 HB1 ALA 23 HB1 ALA 23 -1.159 6.297 -0.179 190 HB2 ALA 23 HB2 ALA 23 -2.508 5.902 0.886 191 HB3 ALA 23 HB3 ALA 23 -1.740 7.486 0.987 192 H SER 24 HN SER 24 -3.702 7.542 -3.022 193 HA SER 24 HA SER 24 -4.747 5.233 -3.931 194 HB2 SER 24 HB2 SER 24 -3.097 7.343 -5.162 195 HB3 SER 24 HB1 SER 24 -3.541 5.970 -6.168 196 HG SER 24 HG SER 24 -5.741 6.464 -5.689 197 H VAL 25 HN VAL 25 -3.849 3.250 -3.386 198 HA VAL 25 HA VAL 25 -0.956 2.946 -3.789 199 HB VAL 25 HB VAL 25 -2.320 0.615 -2.673 200 HG11 VAL 25 HG11 VAL 25 -0.161 2.383 -1.600 201 HG12 VAL 25 HG12 VAL 25 0.095 1.016 -2.696 202 HG13 VAL 25 HG13 VAL 25 -0.552 0.748 -1.075 203 HG21 VAL 25 HG21 VAL 25 -2.491 3.222 -1.183 204 HG22 VAL 25 HG22 VAL 25 -2.550 1.645 -0.396 205 HG23 VAL 25 HG23 VAL 25 -3.805 2.091 -1.553 206 H THR 26 HN THR 26 -0.560 2.448 -5.916 207 HA THR 26 HA THR 26 -2.349 0.475 -7.159 208 HB THR 26 HB THR 26 -3.438 2.112 -8.305 209 HG1 THR 26 HG1 THR 26 -0.987 1.886 -9.725 210 HG21 THR 26 HG21 THR 26 -1.006 3.895 -8.144 211 HG22 THR 26 HG22 THR 26 -2.418 3.983 -7.093 212 HG23 THR 26 HG23 THR 26 -2.577 4.342 -8.812 213 H SER 27 HN SER 27 -1.194 -0.848 -8.625 214 HA SER 27 HA SER 27 1.659 -0.767 -8.061 215 HB2 SER 27 HB2 SER 27 1.808 -2.840 -9.205 216 HB3 SER 27 HB1 SER 27 0.336 -2.921 -8.239 217 HG SER 27 HG SER 27 0.207 -3.624 -10.542 218 H GLU 28 HN GLU 28 3.168 -0.891 -10.013 219 HA GLU 28 HA GLU 28 2.960 1.334 -11.542 220 HB2 GLU 28 HB2 GLU 28 4.473 -1.189 -12.219 221 HB3 GLU 28 HB1 GLU 28 4.737 0.373 -12.985 222 HG2 GLU 28 HG2 GLU 28 5.376 1.323 -10.824 223 HG3 GLU 28 HG1 GLU 28 5.124 -0.251 -10.065 224 H LYS 29 HN LYS 29 1.233 -1.544 -12.092 225 HA LYS 29 HA LYS 29 0.795 -0.912 -14.926 226 HB2 LYS 29 HB2 LYS 29 -0.112 -3.317 -13.333 227 HB3 LYS 29 HB1 LYS 29 -0.377 -3.071 -15.054 228 HG2 LYS 29 HG2 LYS 29 2.127 -2.970 -15.311 229 HG3 LYS 29 HG1 LYS 29 2.237 -3.503 -13.634 230 HD2 LYS 29 HD2 LYS 29 2.453 -5.398 -15.124 231 HD3 LYS 29 HD1 LYS 29 0.944 -5.518 -14.215 232 HE2 LYS 29 HE2 LYS 29 -0.327 -4.773 -16.093 233 HE3 LYS 29 HE1 LYS 29 1.134 -4.377 -16.996 234 HZ1 LYS 29 HZ1 LYS 29 1.700 -6.723 -17.044 235 HZ2 LYS 29 HZ2 LYS 29 0.173 -6.466 -17.734 236 HZ3 LYS 29 HZ3 LYS 29 0.300 -7.111 -16.171 237 H GLY 30 HN GLY 30 -0.726 -0.633 -11.799 238 HA2 GLY 30 HA2 GLY 30 -2.188 1.341 -11.710 239 HA3 GLY 30 HA1 GLY 30 -2.893 0.722 -13.190 240 H ARG 31 HN ARG 31 -1.900 -1.789 -11.139 241 HA ARG 31 HA ARG 31 -4.421 -2.353 -10.362 242 HB2 ARG 31 HB2 ARG 31 -1.795 -3.219 -9.220 243 HB3 ARG 31 HB1 ARG 31 -3.308 -3.747 -8.485 244 HG2 ARG 31 HG2 ARG 31 -3.941 -4.641 -10.759 245 HG3 ARG 31 HG1 ARG 31 -2.263 -4.350 -11.232 246 HD2 ARG 31 HD2 ARG 31 -3.184 -6.077 -8.935 247 HD3 ARG 31 HD1 ARG 31 -2.598 -6.658 -10.494 248 HE ARG 31 HE ARG 31 -0.425 -5.820 -9.935 249 HH11 ARG 31 HH11 ARG 31 -2.710 -5.857 -7.278 250 HH12 ARG 31 HH12 ARG 31 -1.485 -5.801 -6.058 251 HH21 ARG 31 HH21 ARG 31 1.177 -5.759 -8.325 252 HH22 ARG 31 HH22 ARG 31 0.730 -5.726 -6.643 253 H GLU 32 HN GLU 32 -5.478 -0.616 -9.502 254 HA GLU 32 HA GLU 32 -4.350 0.796 -7.249 255 HB2 GLU 32 HB2 GLU 32 -7.098 1.206 -8.410 256 HB3 GLU 32 HB1 GLU 32 -6.098 2.363 -7.538 257 HG2 GLU 32 HG2 GLU 32 -4.500 2.323 -9.465 258 HG3 GLU 32 HG1 GLU 32 -5.663 1.319 -10.326 259 H LEU 33 HN LEU 33 -4.314 -0.847 -5.714 260 HA LEU 33 HA LEU 33 -6.911 -2.111 -5.070 261 HB2 LEU 33 HB2 LEU 33 -4.244 -3.477 -5.341 262 HB3 LEU 33 HB1 LEU 33 -5.685 -4.198 -4.658 263 HG LEU 33 HG LEU 33 -5.439 -3.197 -7.497 264 HD11 LEU 33 HD11 LEU 33 -4.061 -5.208 -7.016 265 HD12 LEU 33 HD12 LEU 33 -5.336 -5.471 -8.205 266 HD13 LEU 33 HD13 LEU 33 -5.539 -6.051 -6.553 267 HD21 LEU 33 HD21 LEU 33 -7.707 -3.061 -6.664 268 HD22 LEU 33 HD22 LEU 33 -7.629 -4.736 -6.118 269 HD23 LEU 33 HD23 LEU 33 -7.566 -4.367 -7.842 270 H GLY 34 HN GLY 34 -4.557 -0.199 -4.068 271 HA2 GLY 34 HA2 GLY 34 -5.659 -0.552 -1.360 272 HA3 GLY 34 HA1 GLY 34 -3.973 -0.098 -1.624 273 H MET 35 HN MET 35 -6.446 1.385 -0.399 274 HA MET 35 HA MET 35 -5.122 3.874 -1.118 275 HB2 MET 35 HB2 MET 35 -8.151 3.767 -1.163 276 HB3 MET 35 HB1 MET 35 -7.156 5.205 -1.274 277 HG2 MET 35 HG2 MET 35 -6.351 4.664 -3.365 278 HG3 MET 35 HG1 MET 35 -6.870 2.980 -3.220 279 HE1 MET 35 HE1 MET 35 -9.555 2.335 -3.204 280 HE2 MET 35 HE2 MET 35 -10.829 3.529 -3.449 281 HE3 MET 35 HE3 MET 35 -9.850 3.569 -1.981 282 H VAL 36 HN VAL 36 -4.756 5.067 0.618 283 HA VAL 36 HA VAL 36 -5.188 3.803 3.140 284 HB VAL 36 HB VAL 36 -4.045 6.461 2.378 285 HG11 VAL 36 HG11 VAL 36 -3.508 6.805 4.764 286 HG12 VAL 36 HG12 VAL 36 -4.444 5.367 5.178 287 HG13 VAL 36 HG13 VAL 36 -5.253 6.781 4.501 288 HG21 VAL 36 HG21 VAL 36 -2.694 4.463 2.052 289 HG22 VAL 36 HG22 VAL 36 -2.899 4.053 3.754 290 HG23 VAL 36 HG23 VAL 36 -2.029 5.518 3.299 291 H ALA 37 HN ALA 37 -6.668 4.139 4.679 292 HA ALA 37 HA ALA 37 -8.395 6.467 4.457 293 HB1 ALA 37 HB1 ALA 37 -9.525 3.705 4.876 294 HB2 ALA 37 HB2 ALA 37 -9.674 4.663 3.403 295 HB3 ALA 37 HB3 ALA 37 -10.423 5.224 4.897 296 H ASP 38 HN ASP 38 -8.297 7.494 6.292 297 HA ASP 38 HA ASP 38 -7.977 8.032 8.457 298 HB2 ASP 38 HB2 ASP 38 -8.580 5.107 8.917 299 HB3 ASP 38 HB1 ASP 38 -8.293 6.251 10.223 300 H GLU 39 HN GLU 39 -6.082 8.672 9.012 301 HA GLU 39 HA GLU 39 -3.948 8.770 9.677 302 HB2 GLU 39 HB2 GLU 39 -4.211 5.828 10.298 303 HB3 GLU 39 HB1 GLU 39 -2.992 6.934 10.929 304 HG2 GLU 39 HG2 GLU 39 -5.935 6.889 11.523 305 HG3 GLU 39 HG1 GLU 39 -4.596 6.619 12.637 306 H GLY 40 HN GLY 40 -3.598 5.397 8.526 307 HA2 GLY 40 HA2 GLY 40 -2.242 6.201 6.222 308 HA3 GLY 40 HA1 GLY 40 -1.041 5.905 7.470 309 H LEU 41 HN LEU 41 -4.065 4.053 6.864 310 HA LEU 41 HA LEU 41 -2.357 2.091 5.539 311 HB2 LEU 41 HB2 LEU 41 -3.066 0.352 6.849 312 HB3 LEU 41 HB1 LEU 41 -2.996 1.660 7.984 313 HG LEU 41 HG LEU 41 -4.873 0.438 8.570 314 HD11 LEU 41 HD11 LEU 41 -5.300 2.795 8.630 315 HD12 LEU 41 HD12 LEU 41 -6.765 1.923 8.179 316 HD13 LEU 41 HD13 LEU 41 -5.833 2.775 6.948 317 HD21 LEU 41 HD21 LEU 41 -6.623 -0.244 7.004 318 HD22 LEU 41 HD22 LEU 41 -5.051 -0.926 6.588 319 HD23 LEU 41 HD23 LEU 41 -5.687 0.440 5.674 320 H ALA 42 HN ALA 42 -3.317 0.776 3.970 321 HA ALA 42 HA ALA 42 -5.440 2.256 2.603 322 HB1 ALA 42 HB1 ALA 42 -3.317 1.761 1.360 323 HB2 ALA 42 HB2 ALA 42 -4.820 1.291 0.551 324 HB3 ALA 42 HB3 ALA 42 -3.818 0.066 1.362 325 H TRP 43 HN TRP 43 -7.359 1.625 2.566 326 HA TRP 43 HA TRP 43 -8.126 -1.019 3.545 327 HB2 TRP 43 HB2 TRP 43 -9.412 1.639 3.322 328 HB3 TRP 43 HB1 TRP 43 -10.415 0.176 3.365 329 HD1 TRP 43 HD1 TRP 43 -8.220 2.317 5.567 330 HE1 TRP 43 HE1 TRP 43 -8.098 1.241 7.902 331 HE3 TRP 43 HE3 TRP 43 -10.654 -2.038 4.542 332 HZ2 TRP 43 HZ2 TRP 43 -8.910 -1.142 9.052 333 HZ3 TRP 43 HZ3 TRP 43 -10.952 -3.680 6.352 334 HH2 TRP 43 HH2 TRP 43 -10.100 -3.229 8.597 335 H LEU 44 HN LEU 44 -7.893 -2.277 1.656 336 HA LEU 44 HA LEU 44 -9.526 -1.872 -0.600 337 HB2 LEU 44 HB2 LEU 44 -6.765 -0.930 -0.819 338 HB3 LEU 44 HB1 LEU 44 -7.396 -1.879 -2.154 339 HG LEU 44 HG LEU 44 -8.083 0.877 -1.302 340 HD11 LEU 44 HD11 LEU 44 -8.037 -0.556 -3.949 341 HD12 LEU 44 HD12 LEU 44 -6.807 0.544 -3.311 342 HD13 LEU 44 HD13 LEU 44 -8.416 1.155 -3.730 343 HD21 LEU 44 HD21 LEU 44 -10.257 0.817 -2.362 344 HD22 LEU 44 HD22 LEU 44 -10.208 -0.192 -0.918 345 HD23 LEU 44 HD23 LEU 44 -10.142 -0.935 -2.520 346 H SER 45 HN SER 45 -7.525 -3.614 -2.230 347 HA SER 45 HA SER 45 -7.570 -5.918 -0.888 348 HB2 SER 45 HB2 SER 45 -9.803 -6.282 -0.806 349 HB3 SER 45 HB1 SER 45 -10.117 -5.257 -2.188 350 HG SER 45 HG SER 45 -10.345 -7.745 -2.261 351 H GLY 46 HN GLY 46 -5.620 -6.304 -1.919 352 HA2 GLY 46 HA2 GLY 46 -5.341 -7.917 -4.030 353 HA3 GLY 46 HA1 GLY 46 -5.634 -6.383 -4.822 354 H VAL 47 HN VAL 47 -3.357 -8.134 -2.753 355 HA VAL 47 HA VAL 47 -1.358 -6.154 -3.522 356 HB VAL 47 HB VAL 47 -1.912 -5.701 -1.149 357 HG11 VAL 47 HG11 VAL 47 -0.879 -8.488 -0.669 358 HG12 VAL 47 HG12 VAL 47 -2.533 -7.925 -0.428 359 HG13 VAL 47 HG13 VAL 47 -1.231 -7.295 0.581 360 HG21 VAL 47 HG21 VAL 47 0.853 -6.787 -1.662 361 HG22 VAL 47 HG22 VAL 47 0.411 -5.759 -0.301 362 HG23 VAL 47 HG23 VAL 47 0.293 -5.139 -1.947 363 H THR 48 HN THR 48 0.674 -7.018 -3.999 364 HA THR 48 HA THR 48 0.845 -9.965 -3.918 365 HB THR 48 HB THR 48 2.192 -8.229 -5.985 366 HG1 THR 48 HG1 THR 48 -0.405 -9.189 -5.853 367 HG21 THR 48 HG21 THR 48 1.652 -11.197 -5.917 368 HG22 THR 48 HG22 THR 48 3.204 -10.437 -5.567 369 HG23 THR 48 HG23 THR 48 2.509 -10.319 -7.185 370 HA PRO 49 HA PRO 49 4.415 -9.090 -1.374 371 HB2 PRO 49 HB2 PRO 49 5.397 -11.626 -1.308 372 HB3 PRO 49 HB1 PRO 49 4.020 -11.098 -0.334 373 HG2 PRO 49 HG2 PRO 49 4.046 -12.601 -2.924 374 HG3 PRO 49 HG1 PRO 49 3.042 -12.868 -1.481 375 HD2 PRO 49 HD2 PRO 49 2.118 -11.575 -3.679 376 HD3 PRO 49 HD1 PRO 49 1.578 -11.172 -2.032 377 H GLY 50 HN GLY 50 6.228 -8.140 -2.135 378 HA2 GLY 50 HA2 GLY 50 8.454 -8.377 -3.022 379 HA3 GLY 50 HA1 GLY 50 7.852 -9.654 -4.079 380 H GLU 51 HN GLU 51 6.684 -6.250 -3.501 381 HA GLU 51 HA GLU 51 6.774 -6.047 -6.401 382 HB2 GLU 51 HB2 GLU 51 4.565 -5.645 -6.833 383 HB3 GLU 51 HB1 GLU 51 4.465 -6.869 -5.585 384 HG2 GLU 51 HG2 GLU 51 3.777 -5.357 -3.965 385 HG3 GLU 51 HG1 GLU 51 4.317 -3.968 -4.910 386 H THR 52 HN THR 52 5.831 -3.823 -7.065 387 HA THR 52 HA THR 52 6.907 -1.792 -5.263 388 HB THR 52 HB THR 52 7.591 -0.556 -7.435 389 HG1 THR 52 HG1 THR 52 7.323 -1.683 -9.206 390 HG21 THR 52 HG21 THR 52 9.815 -1.570 -7.381 391 HG22 THR 52 HG22 THR 52 9.167 -2.966 -6.517 392 HG23 THR 52 HG23 THR 52 9.178 -1.378 -5.746 393 H LEU 53 HN LEU 53 4.860 -1.266 -4.614 394 HA LEU 53 HA LEU 53 2.701 -0.548 -6.338 395 HB2 LEU 53 HB2 LEU 53 3.351 -0.027 -3.452 396 HB3 LEU 53 HB1 LEU 53 1.970 0.723 -4.239 397 HG LEU 53 HG LEU 53 2.301 -2.245 -4.220 398 HD11 LEU 53 HD11 LEU 53 0.928 -0.551 -2.140 399 HD12 LEU 53 HD12 LEU 53 2.386 -1.512 -1.895 400 HD13 LEU 53 HD13 LEU 53 0.855 -2.310 -2.252 401 HD21 LEU 53 HD21 LEU 53 0.016 -0.305 -4.548 402 HD22 LEU 53 HD22 LEU 53 -0.189 -2.057 -4.431 403 HD23 LEU 53 HD23 LEU 53 0.704 -1.362 -5.785 404 H SER 54 HN SER 54 2.086 1.491 -7.036 405 HA SER 54 HA SER 54 3.723 3.694 -6.131 406 HB2 SER 54 HB2 SER 54 3.140 4.836 -8.294 407 HB3 SER 54 HB1 SER 54 4.159 3.404 -8.459 408 HG SER 54 HG SER 54 1.535 2.740 -8.553 409 H VAL 55 HN VAL 55 2.926 5.294 -5.104 410 HA VAL 55 HA VAL 55 0.054 5.051 -4.535 411 HB VAL 55 HB VAL 55 2.178 5.752 -2.534 412 HG11 VAL 55 HG11 VAL 55 -0.607 4.681 -2.215 413 HG12 VAL 55 HG12 VAL 55 -0.081 6.332 -1.891 414 HG13 VAL 55 HG13 VAL 55 0.528 5.002 -0.905 415 HG21 VAL 55 HG21 VAL 55 2.830 3.614 -3.382 416 HG22 VAL 55 HG22 VAL 55 1.172 3.015 -3.247 417 HG23 VAL 55 HG23 VAL 55 2.092 3.393 -1.791 418 H ASN 56 HN ASN 56 -1.099 6.839 -4.772 419 HA ASN 56 HA ASN 56 0.324 9.394 -5.260 420 HB2 ASN 56 HB2 ASN 56 -2.330 8.330 -6.273 421 HB3 ASN 56 HB1 ASN 56 -1.876 10.007 -6.436 422 HD21 ASN 56 HD21 ASN 56 -1.353 6.754 -7.473 423 HD22 ASN 56 HD22 ASN 56 -0.442 7.151 -8.905 424 H TRP 57 HN TRP 57 -0.261 11.219 -3.951 425 HA TRP 57 HA TRP 57 -3.050 11.431 -3.448 426 HB2 TRP 57 HB2 TRP 57 -3.102 11.583 -1.140 427 HB3 TRP 57 HB1 TRP 57 -2.095 10.207 -1.522 428 HD1 TRP 57 HD1 TRP 57 -1.905 13.745 -0.155 429 HE1 TRP 57 HE1 TRP 57 0.220 14.019 1.241 430 HE3 TRP 57 HE3 TRP 57 0.276 9.192 -1.052 431 HZ2 TRP 57 HZ2 TRP 57 2.438 12.558 1.847 432 HZ3 TRP 57 HZ3 TRP 57 2.440 8.755 0.074 433 HH2 TRP 57 HH2 TRP 57 3.495 10.393 1.477 434 H ASP 58 HN ASP 58 -2.536 13.723 -1.482 435 HA ASP 58 HA ASP 58 -2.431 15.987 -2.796 436 HB2 ASP 58 HB2 ASP 58 -2.286 15.891 -0.341 437 HB3 ASP 58 HB1 ASP 58 -0.597 15.424 -0.459 438 H GLY 59 HN GLY 59 0.714 14.519 -1.772 439 HA2 GLY 59 HA2 GLY 59 2.093 16.045 -3.832 440 HA3 GLY 59 HA1 GLY 59 2.796 14.790 -2.804 441 H LYS 60 HN LYS 60 0.061 13.612 -4.050 442 HA LYS 60 HA LYS 60 -0.542 12.110 -5.587 443 HB2 LYS 60 HB2 LYS 60 1.505 13.519 -7.273 444 HB3 LYS 60 HB1 LYS 60 0.089 12.619 -7.839 445 HG2 LYS 60 HG2 LYS 60 -1.253 14.196 -6.288 446 HG3 LYS 60 HG1 LYS 60 0.210 15.206 -6.350 447 HD2 LYS 60 HD2 LYS 60 -1.361 14.322 -8.775 448 HD3 LYS 60 HD1 LYS 60 -1.374 15.939 -8.064 449 HE2 LYS 60 HE2 LYS 60 1.133 15.969 -8.437 450 HE3 LYS 60 HE1 LYS 60 0.915 14.519 -9.412 451 HZ1 LYS 60 HZ1 LYS 60 -0.619 15.806 -10.834 452 HZ2 LYS 60 HZ2 LYS 60 0.954 16.437 -10.821 453 HZ3 LYS 60 HZ3 LYS 60 -0.268 17.198 -9.926 454 H ILE 61 HN ILE 61 1.277 11.000 -7.658 455 HA ILE 61 HA ILE 61 2.063 8.864 -6.156 456 HB ILE 61 HB ILE 61 1.887 9.333 -8.863 457 HG12 ILE 61 HG12 ILE 61 3.041 6.866 -7.555 458 HG13 ILE 61 HG11 ILE 61 1.314 7.272 -7.561 459 HG21 ILE 61 HG21 ILE 61 4.180 10.055 -9.084 460 HG22 ILE 61 HG22 ILE 61 3.942 8.497 -9.875 461 HG23 ILE 61 HG23 ILE 61 4.741 8.575 -8.304 462 HD11 ILE 61 HD11 ILE 61 1.343 7.186 -10.020 463 HD12 ILE 61 HD12 ILE 61 1.817 5.654 -9.287 464 HD13 ILE 61 HD13 ILE 61 3.044 6.718 -9.978 465 H GLN 62 HN GLN 62 3.166 9.289 -4.471 466 HA GLN 62 HA GLN 62 5.901 10.254 -4.784 467 HB2 GLN 62 HB2 GLN 62 5.499 11.559 -2.658 468 HB3 GLN 62 HB1 GLN 62 4.824 12.185 -4.145 469 HG2 GLN 62 HG2 GLN 62 2.695 11.874 -3.458 470 HG3 GLN 62 HG1 GLN 62 3.096 10.570 -2.337 471 HE21 GLN 62 HE21 GLN 62 1.586 13.023 -1.913 472 HE22 GLN 62 HE22 GLN 62 2.391 13.886 -0.625 473 H CYS 63 HN CYS 63 3.632 8.450 -2.966 474 HA CYS 63 HA CYS 63 5.808 7.219 -1.438 475 HB2 CYS 63 HB2 CYS 63 2.984 7.542 -0.933 476 HB3 CYS 63 HB1 CYS 63 3.402 5.827 -0.972 477 H GLN 64 HN GLN 64 6.529 5.186 -2.089 478 HA GLN 64 HA GLN 64 4.791 3.719 -3.945 479 HB2 GLN 64 HB2 GLN 64 7.785 4.007 -4.237 480 HB3 GLN 64 HB1 GLN 64 6.713 3.034 -5.246 481 HG2 GLN 64 HG2 GLN 64 5.534 4.993 -5.931 482 HG3 GLN 64 HG1 GLN 64 6.570 5.987 -4.909 483 HE21 GLN 64 HE21 GLN 64 8.956 4.416 -5.577 484 HE22 GLN 64 HE22 GLN 64 9.410 4.886 -7.176 485 H VAL 65 HN VAL 65 4.890 1.401 -3.527 486 HA VAL 65 HA VAL 65 6.037 1.281 -0.919 487 HB VAL 65 HB VAL 65 3.372 0.184 -1.702 488 HG11 VAL 65 HG11 VAL 65 3.359 -1.217 0.307 489 HG12 VAL 65 HG12 VAL 65 5.050 -0.809 0.603 490 HG13 VAL 65 HG13 VAL 65 4.605 -1.744 -0.826 491 HG21 VAL 65 HG21 VAL 65 2.773 1.137 0.464 492 HG22 VAL 65 HG22 VAL 65 3.495 2.325 -0.622 493 HG23 VAL 65 HG23 VAL 65 4.451 1.628 0.685 494 H ASN 66 HN ASN 66 7.277 -0.527 -0.445 495 HA ASN 66 HA ASN 66 7.547 -2.312 -2.763 496 HB2 ASN 66 HB2 ASN 66 9.681 -1.125 -2.304 497 HB3 ASN 66 HB1 ASN 66 9.662 -1.748 -0.654 498 HD21 ASN 66 HD21 ASN 66 11.587 -2.837 -0.850 499 HD22 ASN 66 HD22 ASN 66 11.764 -4.255 -1.834 500 H VAL 67 HN VAL 67 6.422 -4.027 -2.419 501 HA VAL 67 HA VAL 67 5.742 -4.867 0.273 502 HB VAL 67 HB VAL 67 4.925 -6.115 -2.342 503 HG11 VAL 67 HG11 VAL 67 3.175 -7.192 -1.002 504 HG12 VAL 67 HG12 VAL 67 3.844 -6.456 0.455 505 HG13 VAL 67 HG13 VAL 67 4.786 -7.643 -0.447 506 HG21 VAL 67 HG21 VAL 67 4.083 -3.843 -2.217 507 HG22 VAL 67 HG22 VAL 67 3.461 -4.139 -0.592 508 HG23 VAL 67 HG23 VAL 67 2.762 -4.986 -1.973 509 HA PRO 68 HA PRO 68 9.019 -7.889 0.084 510 HB2 PRO 68 HB2 PRO 68 8.727 -8.467 2.811 511 HB3 PRO 68 HB1 PRO 68 9.819 -7.273 2.113 512 HG2 PRO 68 HG2 PRO 68 7.582 -6.760 3.756 513 HG3 PRO 68 HG1 PRO 68 8.537 -5.569 2.859 514 HD2 PRO 68 HD2 PRO 68 5.923 -6.810 2.168 515 HD3 PRO 68 HD1 PRO 68 6.557 -5.199 1.768 516 H GLU 69 HN GLU 69 9.228 -10.208 0.612 517 HA GLU 69 HA GLU 69 6.872 -11.635 0.060 518 HB2 GLU 69 HB2 GLU 69 9.540 -12.681 1.025 519 HB3 GLU 69 HB1 GLU 69 8.259 -13.657 0.320 520 HG2 GLU 69 HG2 GLU 69 8.457 -12.313 -1.757 521 HG3 GLU 69 HG1 GLU 69 9.843 -11.492 -1.038 522 H THR 70 HN THR 70 7.528 -10.266 2.892 523 HA THR 70 HA THR 70 6.662 -12.506 4.578 524 HB THR 70 HB THR 70 8.601 -11.256 5.421 525 HG1 THR 70 HG1 THR 70 6.151 -11.065 6.841 526 HG21 THR 70 HG21 THR 70 8.395 -8.925 6.131 527 HG22 THR 70 HG22 THR 70 6.744 -8.871 5.511 528 HG23 THR 70 HG23 THR 70 8.096 -9.078 4.399 529 H ALA 71 HN ALA 71 5.035 -10.938 2.596 530 HA ALA 71 HA ALA 71 3.274 -9.245 4.179 531 HB1 ALA 71 HB1 ALA 71 2.996 -10.092 1.300 532 HB2 ALA 71 HB2 ALA 71 3.846 -8.645 1.841 533 HB3 ALA 71 HB3 ALA 71 2.113 -8.806 2.124 534 H ILE 72 HN ILE 72 0.978 -9.621 4.142 535 HA ILE 72 HA ILE 72 0.388 -12.435 4.497 536 HB ILE 72 HB ILE 72 -0.058 -10.208 6.458 537 HG12 ILE 72 HG12 ILE 72 1.170 -12.960 6.733 538 HG13 ILE 72 HG11 ILE 72 2.055 -11.443 6.608 539 HG21 ILE 72 HG21 ILE 72 -1.439 -11.753 7.792 540 HG22 ILE 72 HG22 ILE 72 -1.379 -12.928 6.478 541 HG23 ILE 72 HG23 ILE 72 -2.187 -11.379 6.238 542 HD11 ILE 72 HD11 ILE 72 1.111 -10.710 8.724 543 HD12 ILE 72 HD12 ILE 72 1.962 -12.244 8.897 544 HD13 ILE 72 HD13 ILE 72 0.198 -12.213 8.848 545 H SER 73 HN SER 73 -1.831 -12.956 4.058 546 HA SER 73 HA SER 73 -2.926 -11.056 2.105 547 HB2 SER 73 HB2 SER 73 -3.714 -13.942 2.491 548 HB3 SER 73 HB1 SER 73 -3.946 -12.929 1.065 549 HG SER 73 HG SER 73 -1.445 -12.845 1.297 550 H ASP 74 HN ASP 74 -4.893 -10.067 2.490 551 HA ASP 74 HA ASP 74 -7.104 -9.902 3.083 552 HB2 ASP 74 HB2 ASP 74 -7.215 -12.403 2.872 553 HB3 ASP 74 HB1 ASP 74 -6.820 -12.511 4.583 554 H GLN 75 HN GLN 75 -4.509 -9.696 4.989 555 HA GLN 75 HA GLN 75 -6.065 -9.065 7.392 556 HB2 GLN 75 HB2 GLN 75 -3.224 -10.097 7.298 557 HB3 GLN 75 HB1 GLN 75 -4.061 -9.558 8.744 558 HG2 GLN 75 HG2 GLN 75 -5.010 -11.856 7.056 559 HG3 GLN 75 HG1 GLN 75 -3.902 -12.039 8.411 560 HE21 GLN 75 HE21 GLN 75 -6.653 -9.830 8.242 561 HE22 GLN 75 HE22 GLN 75 -7.571 -10.601 9.504 562 H GLN 76 HN GLN 76 -3.936 -7.873 8.741 563 HA GLN 76 HA GLN 76 -3.542 -5.463 7.132 564 HB2 GLN 76 HB2 GLN 76 -3.218 -4.223 9.190 565 HB3 GLN 76 HB1 GLN 76 -4.775 -5.034 9.231 566 HG2 GLN 76 HG2 GLN 76 -3.845 -6.766 10.671 567 HG3 GLN 76 HG1 GLN 76 -2.274 -5.966 10.623 568 HE21 GLN 76 HE21 GLN 76 -3.923 -6.541 12.927 569 HE22 GLN 76 HE22 GLN 76 -4.260 -5.008 13.672 570 H LEU 77 HN LEU 77 -1.408 -4.700 6.946 571 HA LEU 77 HA LEU 77 0.689 -6.298 8.025 572 HB2 LEU 77 HB2 LEU 77 -0.175 -7.474 5.852 573 HB3 LEU 77 HB1 LEU 77 0.606 -6.149 5.017 574 HG LEU 77 HG LEU 77 1.902 -8.335 5.221 575 HD11 LEU 77 HD11 LEU 77 4.039 -7.210 5.547 576 HD12 LEU 77 HD12 LEU 77 3.203 -5.804 6.210 577 HD13 LEU 77 HD13 LEU 77 2.961 -6.262 4.524 578 HD21 LEU 77 HD21 LEU 77 2.265 -7.336 8.041 579 HD22 LEU 77 HD22 LEU 77 3.132 -8.680 7.296 580 HD23 LEU 77 HD23 LEU 77 1.391 -8.787 7.557 581 H LEU 78 HN LEU 78 2.726 -5.093 7.749 582 HA LEU 78 HA LEU 78 2.004 -2.307 7.357 583 HB2 LEU 78 HB2 LEU 78 3.868 -1.626 8.720 584 HB3 LEU 78 HB1 LEU 78 2.878 -2.761 9.606 585 HG LEU 78 HG LEU 78 5.067 -3.280 10.202 586 HD11 LEU 78 HD11 LEU 78 5.558 -5.485 9.308 587 HD12 LEU 78 HD12 LEU 78 4.402 -5.214 8.003 588 HD13 LEU 78 HD13 LEU 78 3.843 -5.288 9.675 589 HD21 LEU 78 HD21 LEU 78 6.240 -1.962 8.566 590 HD22 LEU 78 HD22 LEU 78 5.862 -3.137 7.307 591 HD23 LEU 78 HD23 LEU 78 6.921 -3.585 8.644 592 H LEU 79 HN LEU 79 3.122 -1.068 5.885 593 HA LEU 79 HA LEU 79 4.893 -2.602 4.116 594 HB2 LEU 79 HB2 LEU 79 2.535 -0.921 3.371 595 HB3 LEU 79 HB1 LEU 79 3.882 -1.064 2.266 596 HG LEU 79 HG LEU 79 2.274 -2.644 1.562 597 HD11 LEU 79 HD11 LEU 79 4.544 -3.478 1.510 598 HD12 LEU 79 HD12 LEU 79 3.416 -4.788 1.853 599 HD13 LEU 79 HD13 LEU 79 4.379 -4.093 3.156 600 HD21 LEU 79 HD21 LEU 79 0.932 -2.698 3.613 601 HD22 LEU 79 HD22 LEU 79 2.161 -3.700 4.383 602 HD23 LEU 79 HD23 LEU 79 1.265 -4.316 2.995 603 HA PRO 80 HA PRO 80 7.430 1.003 4.534 604 HB2 PRO 80 HB2 PRO 80 9.516 0.122 3.085 605 HB3 PRO 80 HB1 PRO 80 9.131 -0.542 4.674 606 HG2 PRO 80 HG2 PRO 80 8.735 -1.721 1.989 607 HG3 PRO 80 HG1 PRO 80 8.993 -2.524 3.552 608 HD2 PRO 80 HD2 PRO 80 6.522 -2.127 2.202 609 HD3 PRO 80 HD1 PRO 80 6.766 -2.784 3.830 610 H CYS 81 HN CYS 81 7.080 2.831 3.536 611 HA CYS 81 HA CYS 81 6.599 2.930 0.659 612 HB2 CYS 81 HB2 CYS 81 5.050 4.253 1.872 613 HB3 CYS 81 HB1 CYS 81 6.325 4.967 2.866 614 H THR 82 HN THR 82 8.138 3.387 -0.694 615 HA THR 82 HA THR 82 10.582 4.728 0.243 616 HB THR 82 HB THR 82 10.285 3.452 -2.470 617 HG1 THR 82 HG1 THR 82 9.890 2.065 -0.375 618 HG21 THR 82 HG21 THR 82 12.643 3.906 -0.634 619 HG22 THR 82 HG22 THR 82 12.245 4.858 -2.065 620 HG23 THR 82 HG23 THR 82 12.717 3.166 -2.235 621 HA PRO 83 HA PRO 83 8.845 8.353 -1.655 622 HB2 PRO 83 HB2 PRO 83 11.181 9.730 -2.094 623 HB3 PRO 83 HB1 PRO 83 10.341 9.663 -0.542 624 HG2 PRO 83 HG2 PRO 83 12.698 8.091 -1.495 625 HG3 PRO 83 HG1 PRO 83 12.393 8.800 0.101 626 HD2 PRO 83 HD2 PRO 83 12.050 6.172 -0.376 627 HD3 PRO 83 HD1 PRO 83 11.007 7.067 0.748 628 H GLN 84 HN GLN 84 8.455 9.142 -3.670 629 HA GLN 84 HA GLN 84 9.099 7.794 -5.944 630 HB2 GLN 84 HB2 GLN 84 7.274 9.359 -5.891 631 HB3 GLN 84 HB1 GLN 84 8.375 10.706 -5.607 632 HG2 GLN 84 HG2 GLN 84 9.400 10.039 -7.880 633 HG3 GLN 84 HG1 GLN 84 7.892 9.156 -8.116 634 HE21 GLN 84 HE21 GLN 84 8.082 12.126 -6.297 635 HE22 GLN 84 HE22 GLN 84 7.236 13.112 -7.451 636 H LYS 85 HN LYS 85 10.733 7.763 -7.383 637 HA LYS 85 HA LYS 85 13.069 9.448 -6.823 638 HB2 LYS 85 HB2 LYS 85 12.841 6.890 -8.423 639 HB3 LYS 85 HB1 LYS 85 14.296 7.870 -8.318 640 HG2 LYS 85 HG2 LYS 85 12.934 6.422 -6.054 641 HG3 LYS 85 HG1 LYS 85 14.467 5.997 -6.818 642 HD2 LYS 85 HD2 LYS 85 15.366 8.204 -6.087 643 HD3 LYS 85 HD1 LYS 85 13.867 8.469 -5.198 644 HE2 LYS 85 HE2 LYS 85 15.626 7.642 -3.730 645 HE3 LYS 85 HE1 LYS 85 14.307 6.479 -3.854 646 HZ1 LYS 85 HZ1 LYS 85 15.576 5.083 -5.211 647 HZ2 LYS 85 HZ2 LYS 85 16.663 5.587 -4.007 648 HZ3 LYS 85 HZ3 LYS 85 16.719 6.285 -5.552 Start of MODEL 3 1 H1 VAL 1 HT1 VAL 1 -11.923 -14.160 -2.163 2 H2 VAL 1 HT2 VAL 1 -11.689 -13.153 -3.504 3 H3 VAL 1 HT3 VAL 1 -10.447 -14.179 -2.992 4 HA VAL 1 HA VAL 1 -13.076 -15.129 -3.932 5 HB VAL 1 HB VAL 1 -12.149 -14.045 -5.826 6 HG11 VAL 1 HG11 VAL 1 -9.532 -15.421 -5.249 7 HG12 VAL 1 HG12 VAL 1 -9.875 -13.700 -5.087 8 HG13 VAL 1 HG13 VAL 1 -9.882 -14.453 -6.680 9 HG21 VAL 1 HG21 VAL 1 -11.692 -15.898 -7.380 10 HG22 VAL 1 HG22 VAL 1 -13.071 -16.217 -6.328 11 HG23 VAL 1 HG23 VAL 1 -11.518 -16.987 -6.003 12 H LEU 2 HN LEU 2 -9.736 -16.300 -4.317 13 HA LEU 2 HA LEU 2 -10.485 -18.707 -2.790 14 HB2 LEU 2 HB2 LEU 2 -9.539 -18.825 -5.256 15 HB3 LEU 2 HB1 LEU 2 -8.006 -18.505 -4.474 16 HG LEU 2 HG LEU 2 -9.780 -20.846 -3.776 17 HD11 LEU 2 HD11 LEU 2 -7.398 -20.703 -5.615 18 HD12 LEU 2 HD12 LEU 2 -9.064 -21.057 -6.073 19 HD13 LEU 2 HD13 LEU 2 -8.165 -22.190 -5.063 20 HD21 LEU 2 HD21 LEU 2 -8.199 -20.124 -2.019 21 HD22 LEU 2 HD22 LEU 2 -6.872 -20.327 -3.163 22 HD23 LEU 2 HD23 LEU 2 -7.824 -21.723 -2.662 23 H LYS 3 HN LYS 3 -7.541 -16.837 -3.567 24 HA LYS 3 HA LYS 3 -6.988 -16.487 -0.769 25 HB2 LYS 3 HB2 LYS 3 -5.135 -16.699 -2.380 26 HB3 LYS 3 HB1 LYS 3 -5.698 -15.267 -3.230 27 HG2 LYS 3 HG2 LYS 3 -5.267 -13.937 -1.191 28 HG3 LYS 3 HG1 LYS 3 -4.607 -15.381 -0.427 29 HD2 LYS 3 HD2 LYS 3 -3.541 -14.296 -3.020 30 HD3 LYS 3 HD1 LYS 3 -2.937 -13.760 -1.453 31 HE2 LYS 3 HE2 LYS 3 -2.397 -16.112 -0.908 32 HE3 LYS 3 HE1 LYS 3 -2.911 -16.574 -2.531 33 HZ1 LYS 3 HZ1 LYS 3 -1.173 -15.207 -3.463 34 HZ2 LYS 3 HZ2 LYS 3 -0.501 -16.297 -2.355 35 HZ3 LYS 3 HZ3 LYS 3 -0.710 -14.675 -1.921 36 H GLY 4 HN GLY 4 -6.750 -14.229 0.115 37 HA2 GLY 4 HA2 GLY 4 -9.185 -12.749 -0.506 38 HA3 GLY 4 HA1 GLY 4 -8.070 -12.431 0.825 39 H LYS 5 HN LYS 5 -8.722 -10.219 -0.437 40 HA LYS 5 HA LYS 5 -6.605 -9.298 -1.659 41 HB2 LYS 5 HB2 LYS 5 -8.705 -10.045 -3.669 42 HB3 LYS 5 HB1 LYS 5 -7.852 -8.523 -3.882 43 HG2 LYS 5 HG2 LYS 5 -5.712 -9.768 -3.832 44 HG3 LYS 5 HG1 LYS 5 -6.632 -11.271 -3.756 45 HD2 LYS 5 HD2 LYS 5 -5.970 -10.875 -6.033 46 HD3 LYS 5 HD1 LYS 5 -7.715 -10.657 -5.900 47 HE2 LYS 5 HE2 LYS 5 -6.692 -8.919 -7.287 48 HE3 LYS 5 HE1 LYS 5 -7.433 -8.244 -5.838 49 HZ1 LYS 5 HZ1 LYS 5 -5.249 -7.276 -6.320 50 HZ2 LYS 5 HZ2 LYS 5 -4.528 -8.793 -6.152 51 HZ3 LYS 5 HZ3 LYS 5 -5.267 -8.055 -4.824 52 H ARG 6 HN ARG 6 -7.609 -8.565 0.319 53 HA ARG 6 HA ARG 6 -7.753 -5.807 0.048 54 HB2 ARG 6 HB2 ARG 6 -10.230 -7.026 1.295 55 HB3 ARG 6 HB1 ARG 6 -9.724 -5.354 1.390 56 HG2 ARG 6 HG2 ARG 6 -9.955 -5.181 -1.051 57 HG3 ARG 6 HG1 ARG 6 -10.665 -6.789 -1.023 58 HD2 ARG 6 HD2 ARG 6 -12.427 -6.023 0.446 59 HD3 ARG 6 HD1 ARG 6 -11.687 -4.417 0.497 60 HE ARG 6 HE ARG 6 -13.346 -5.502 -1.583 61 HH11 ARG 6 HH11 ARG 6 -10.790 -3.212 -0.905 62 HH12 ARG 6 HH12 ARG 6 -11.166 -2.188 -2.248 63 HH21 ARG 6 HH21 ARG 6 -13.863 -4.140 -3.360 64 HH22 ARG 6 HH22 ARG 6 -12.924 -2.715 -3.645 65 H LEU 7 HN LEU 7 -6.112 -5.654 1.348 66 HA LEU 7 HA LEU 7 -6.284 -7.357 3.622 67 HB2 LEU 7 HB2 LEU 7 -3.705 -6.150 2.849 68 HB3 LEU 7 HB1 LEU 7 -4.044 -7.734 3.521 69 HG LEU 7 HG LEU 7 -4.509 -6.826 0.749 70 HD11 LEU 7 HD11 LEU 7 -2.648 -8.913 1.840 71 HD12 LEU 7 HD12 LEU 7 -2.175 -7.333 1.213 72 HD13 LEU 7 HD13 LEU 7 -2.862 -8.542 0.129 73 HD21 LEU 7 HD21 LEU 7 -5.170 -9.124 0.221 74 HD22 LEU 7 HD22 LEU 7 -6.317 -8.169 1.181 75 HD23 LEU 7 HD23 LEU 7 -5.298 -9.396 1.962 76 H PHE 8 HN PHE 8 -4.439 -6.341 5.315 77 HA PHE 8 HA PHE 8 -5.862 -3.842 6.069 78 HB2 PHE 8 HB2 PHE 8 -4.348 -5.695 7.944 79 HB3 PHE 8 HB1 PHE 8 -5.075 -4.156 8.390 80 HD1 PHE 8 HD1 PHE 8 -6.465 -7.040 6.440 81 HD2 PHE 8 HD2 PHE 8 -6.687 -4.619 9.931 82 HE1 PHE 8 HE1 PHE 8 -8.483 -8.256 7.152 83 HE2 PHE 8 HE2 PHE 8 -8.708 -5.824 10.643 84 HZ PHE 8 HZ PHE 8 -9.607 -7.648 9.255 85 H ALA 9 HN ALA 9 -4.482 -2.417 4.954 86 HA ALA 9 HA ALA 9 -1.620 -3.020 5.222 87 HB1 ALA 9 HB1 ALA 9 -2.934 -1.371 3.080 88 HB2 ALA 9 HB2 ALA 9 -2.391 -3.040 2.903 89 HB3 ALA 9 HB3 ALA 9 -1.218 -1.758 3.211 90 H ILE 10 HN ILE 10 -0.675 -1.856 6.631 91 HA ILE 10 HA ILE 10 -1.571 0.903 7.109 92 HB ILE 10 HB ILE 10 0.178 -0.776 8.924 93 HG12 ILE 10 HG12 ILE 10 -2.711 0.058 9.287 94 HG13 ILE 10 HG11 ILE 10 -2.183 -1.563 8.849 95 HG21 ILE 10 HG21 ILE 10 -0.999 1.983 9.210 96 HG22 ILE 10 HG22 ILE 10 0.708 1.552 9.102 97 HG23 ILE 10 HG23 ILE 10 -0.229 1.092 10.522 98 HD11 ILE 10 HD11 ILE 10 -1.009 -1.751 10.983 99 HD12 ILE 10 HD12 ILE 10 -2.729 -1.425 11.206 100 HD13 ILE 10 HD13 ILE 10 -1.550 -0.129 11.421 101 H LEU 11 HN LEU 11 -0.366 2.077 5.660 102 HA LEU 11 HA LEU 11 2.352 1.191 5.180 103 HB2 LEU 11 HB2 LEU 11 2.199 2.206 2.915 104 HB3 LEU 11 HB1 LEU 11 1.222 0.768 3.118 105 HG LEU 11 HG LEU 11 -0.073 3.440 3.478 106 HD11 LEU 11 HD11 LEU 11 0.476 2.147 0.809 107 HD12 LEU 11 HD12 LEU 11 1.226 3.628 1.400 108 HD13 LEU 11 HD13 LEU 11 -0.511 3.581 1.093 109 HD21 LEU 11 HD21 LEU 11 -1.992 2.234 2.551 110 HD22 LEU 11 HD22 LEU 11 -1.331 1.398 3.957 111 HD23 LEU 11 HD23 LEU 11 -0.991 0.799 2.333 112 H ARG 12 HN ARG 12 3.789 2.645 5.570 113 HA ARG 12 HA ARG 12 3.102 5.505 5.679 114 HB2 ARG 12 HB2 ARG 12 4.356 3.956 7.955 115 HB3 ARG 12 HB1 ARG 12 4.334 5.715 7.849 116 HG2 ARG 12 HG2 ARG 12 1.802 5.504 7.642 117 HG3 ARG 12 HG1 ARG 12 2.018 3.835 8.162 118 HD2 ARG 12 HD2 ARG 12 3.110 6.151 9.706 119 HD3 ARG 12 HD1 ARG 12 1.467 5.562 9.946 120 HE ARG 12 HE ARG 12 3.931 4.053 10.513 121 HH11 ARG 12 HH11 ARG 12 0.461 4.471 10.813 122 HH12 ARG 12 HH12 ARG 12 0.312 3.343 12.124 123 HH21 ARG 12 HH21 ARG 12 3.728 2.537 12.236 124 HH22 ARG 12 HH22 ARG 12 2.169 2.237 12.926 125 H LEU 13 HN LEU 13 5.318 6.796 5.895 126 HA LEU 13 HA LEU 13 7.079 5.401 4.078 127 HB2 LEU 13 HB2 LEU 13 8.022 7.900 3.810 128 HB3 LEU 13 HB1 LEU 13 6.924 7.142 2.691 129 HG LEU 13 HG LEU 13 6.038 9.038 4.864 130 HD11 LEU 13 HD11 LEU 13 5.997 10.720 3.147 131 HD12 LEU 13 HD12 LEU 13 6.479 9.542 1.925 132 HD13 LEU 13 HD13 LEU 13 7.613 10.011 3.191 133 HD21 LEU 13 HD21 LEU 13 4.629 8.106 2.349 134 HD22 LEU 13 HD22 LEU 13 3.970 9.209 3.573 135 HD23 LEU 13 HD23 LEU 13 4.276 7.515 3.971 136 H ALA 14 HN ALA 14 8.990 5.052 4.738 137 HA ALA 14 HA ALA 14 9.547 4.775 7.356 138 HB1 ALA 14 HB1 ALA 14 11.807 4.143 6.737 139 HB2 ALA 14 HB2 ALA 14 11.613 4.933 5.172 140 HB3 ALA 14 HB3 ALA 14 10.636 3.521 5.574 141 H ASP 15 HN ASP 15 9.738 7.733 5.838 142 HA ASP 15 HA ASP 15 11.978 8.900 7.224 143 HB2 ASP 15 HB2 ASP 15 11.466 10.028 5.246 144 HB3 ASP 15 HB1 ASP 15 9.727 9.899 5.504 145 H GLY 16 HN GLY 16 8.712 8.131 7.892 146 HA2 GLY 16 HA2 GLY 16 8.082 8.133 10.325 147 HA3 GLY 16 HA1 GLY 16 8.772 9.763 10.353 148 H SER 17 HN SER 17 7.741 9.829 7.480 149 HA SER 17 HA SER 17 5.297 11.145 7.984 150 HB2 SER 17 HB2 SER 17 5.558 10.837 5.237 151 HB3 SER 17 HB1 SER 17 6.211 12.161 6.197 152 HG SER 17 HG SER 17 8.173 11.316 6.124 153 H GLN 18 HN GLN 18 3.643 10.642 5.923 154 HA GLN 18 HA GLN 18 2.809 7.854 6.207 155 HB2 GLN 18 HB2 GLN 18 1.580 10.046 7.540 156 HB3 GLN 18 HB1 GLN 18 0.496 9.486 6.282 157 HG2 GLN 18 HG2 GLN 18 0.310 7.373 7.270 158 HG3 GLN 18 HG1 GLN 18 1.749 7.613 8.265 159 HE21 GLN 18 HE21 GLN 18 0.592 7.099 10.143 160 HE22 GLN 18 HE22 GLN 18 -0.537 8.209 10.848 161 HA PRO 19 HA PRO 19 0.983 8.985 2.246 162 HB2 PRO 19 HB2 PRO 19 -0.056 6.375 1.917 163 HB3 PRO 19 HB1 PRO 19 1.362 7.035 1.101 164 HG2 PRO 19 HG2 PRO 19 1.322 4.981 3.028 165 HG3 PRO 19 HG1 PRO 19 2.747 5.807 2.384 166 HD2 PRO 19 HD2 PRO 19 1.357 6.178 4.963 167 HD3 PRO 19 HD1 PRO 19 3.038 6.531 4.520 168 HA PRO 20 HA PRO 20 -2.288 9.140 5.191 169 HB2 PRO 20 HB2 PRO 20 -2.453 11.745 5.234 170 HB3 PRO 20 HB1 PRO 20 -0.889 11.012 5.556 171 HG2 PRO 20 HG2 PRO 20 -1.879 12.353 3.082 172 HG3 PRO 20 HG1 PRO 20 -0.271 12.406 3.832 173 HD2 PRO 20 HD2 PRO 20 -1.174 10.655 1.772 174 HD3 PRO 20 HD1 PRO 20 0.401 10.627 2.605 175 H PHE 21 HN PHE 21 -4.498 10.366 5.230 176 HA PHE 21 HA PHE 21 -6.268 8.960 3.907 177 HB2 PHE 21 HB2 PHE 21 -6.961 10.497 5.562 178 HB3 PHE 21 HB1 PHE 21 -6.500 11.843 4.555 179 HD1 PHE 21 HD2 PHE 21 -8.833 8.993 4.715 180 HD2 PHE 21 HD1 PHE 21 -8.099 12.890 3.187 181 HE1 PHE 21 HE2 PHE 21 -11.130 9.071 3.837 182 HE2 PHE 21 HE1 PHE 21 -10.395 12.981 2.310 183 HZ PHE 21 HZ PHE 21 -11.915 11.070 2.634 184 H GLY 22 HN GLY 22 -5.816 8.334 1.847 185 HA2 GLY 22 HA2 GLY 22 -7.005 8.806 -0.335 186 HA3 GLY 22 HA1 GLY 22 -6.146 10.333 -0.249 187 H ALA 23 HN ALA 23 -4.126 8.190 1.196 188 HA ALA 23 HA ALA 23 -2.350 7.889 -0.707 189 HB1 ALA 23 HB1 ALA 23 -1.373 5.994 0.389 190 HB2 ALA 23 HB2 ALA 23 -2.875 5.717 1.268 191 HB3 ALA 23 HB3 ALA 23 -1.933 7.177 1.571 192 H SER 24 HN SER 24 -3.257 7.633 -2.643 193 HA SER 24 HA SER 24 -4.661 5.404 -3.542 194 HB2 SER 24 HB2 SER 24 -3.306 7.751 -4.680 195 HB3 SER 24 HB1 SER 24 -3.493 6.408 -5.810 196 HG SER 24 HG SER 24 -5.491 7.831 -4.372 197 H VAL 25 HN VAL 25 -3.779 3.352 -3.369 198 HA VAL 25 HA VAL 25 -0.984 3.065 -4.239 199 HB VAL 25 HB VAL 25 -0.773 1.089 -2.893 200 HG11 VAL 25 HG11 VAL 25 -0.404 3.249 -1.788 201 HG12 VAL 25 HG12 VAL 25 -1.005 2.035 -0.663 202 HG13 VAL 25 HG13 VAL 25 -2.093 3.273 -1.286 203 HG21 VAL 25 HG21 VAL 25 -3.654 1.491 -2.115 204 HG22 VAL 25 HG22 VAL 25 -2.551 0.316 -1.399 205 HG23 VAL 25 HG23 VAL 25 -3.011 0.174 -3.097 206 H THR 26 HN THR 26 -0.716 2.313 -6.203 207 HA THR 26 HA THR 26 -2.207 -0.079 -7.019 208 HB THR 26 HB THR 26 -3.699 1.265 -8.174 209 HG1 THR 26 HG1 THR 26 -3.270 0.869 -10.219 210 HG21 THR 26 HG21 THR 26 -3.205 3.400 -9.223 211 HG22 THR 26 HG22 THR 26 -1.493 3.211 -8.849 212 HG23 THR 26 HG23 THR 26 -2.660 3.420 -7.545 213 H SER 27 HN SER 27 -0.864 -1.412 -8.262 214 HA SER 27 HA SER 27 1.926 -0.970 -7.877 215 HB2 SER 27 HB2 SER 27 0.492 -2.945 -9.641 216 HB3 SER 27 HB1 SER 27 2.185 -3.044 -9.142 217 HG SER 27 HG SER 27 1.430 -4.121 -7.514 218 H GLU 28 HN GLU 28 3.372 -1.388 -10.103 219 HA GLU 28 HA GLU 28 3.156 1.181 -11.399 220 HB2 GLU 28 HB2 GLU 28 5.206 0.791 -12.297 221 HB3 GLU 28 HB1 GLU 28 5.294 -0.204 -10.853 222 HG2 GLU 28 HG2 GLU 28 4.601 -1.226 -13.599 223 HG3 GLU 28 HG1 GLU 28 6.199 -1.255 -12.883 224 H LYS 29 HN LYS 29 2.218 -2.123 -12.174 225 HA LYS 29 HA LYS 29 1.280 -1.206 -14.734 226 HB2 LYS 29 HB2 LYS 29 0.380 -3.807 -14.479 227 HB3 LYS 29 HB1 LYS 29 1.882 -3.301 -15.234 228 HG2 LYS 29 HG2 LYS 29 2.688 -4.856 -13.799 229 HG3 LYS 29 HG1 LYS 29 2.762 -3.444 -12.747 230 HD2 LYS 29 HD2 LYS 29 0.359 -4.172 -12.064 231 HD3 LYS 29 HD1 LYS 29 0.842 -5.734 -12.727 232 HE2 LYS 29 HE2 LYS 29 1.884 -4.270 -10.346 233 HE3 LYS 29 HE1 LYS 29 1.431 -5.964 -10.509 234 HZ1 LYS 29 HZ1 LYS 29 3.906 -4.655 -11.517 235 HZ2 LYS 29 HZ2 LYS 29 3.452 -6.237 -11.918 236 HZ3 LYS 29 HZ3 LYS 29 3.784 -5.841 -10.302 237 H GLY 30 HN GLY 30 -0.223 -1.307 -11.659 238 HA2 GLY 30 HA2 GLY 30 -2.131 0.051 -11.415 239 HA3 GLY 30 HA1 GLY 30 -2.647 -0.479 -13.000 240 H ARG 31 HN ARG 31 -1.211 -2.107 -10.281 241 HA ARG 31 HA ARG 31 -3.525 -3.801 -10.311 242 HB2 ARG 31 HB2 ARG 31 -0.776 -4.474 -9.328 243 HB3 ARG 31 HB1 ARG 31 -2.198 -5.321 -8.719 244 HG2 ARG 31 HG2 ARG 31 -1.450 -5.131 -11.633 245 HG3 ARG 31 HG1 ARG 31 -1.040 -6.487 -10.589 246 HD2 ARG 31 HD2 ARG 31 -3.017 -6.975 -11.949 247 HD3 ARG 31 HD1 ARG 31 -3.413 -6.954 -10.234 248 HE ARG 31 HE ARG 31 -4.297 -4.634 -10.685 249 HH11 ARG 31 HH11 ARG 31 -4.193 -7.045 -13.226 250 HH12 ARG 31 HH12 ARG 31 -5.509 -6.347 -14.105 251 HH21 ARG 31 HH21 ARG 31 -6.027 -3.720 -11.806 252 HH22 ARG 31 HH22 ARG 31 -6.557 -4.443 -13.300 253 H GLU 32 HN GLU 32 -4.866 -2.707 -9.216 254 HA GLU 32 HA GLU 32 -3.827 -0.798 -7.355 255 HB2 GLU 32 HB2 GLU 32 -6.676 -0.761 -8.129 256 HB3 GLU 32 HB1 GLU 32 -5.491 0.543 -8.093 257 HG2 GLU 32 HG2 GLU 32 -5.695 0.359 -10.351 258 HG3 GLU 32 HG1 GLU 32 -4.457 -0.852 -10.088 259 H LEU 33 HN LEU 33 -3.924 -1.003 -5.291 260 HA LEU 33 HA LEU 33 -5.343 -3.309 -4.149 261 HB2 LEU 33 HB2 LEU 33 -3.018 -1.614 -3.370 262 HB3 LEU 33 HB1 LEU 33 -3.937 -2.421 -2.117 263 HG LEU 33 HG LEU 33 -3.359 -4.572 -2.921 264 HD11 LEU 33 HD11 LEU 33 -2.045 -4.924 -4.981 265 HD12 LEU 33 HD12 LEU 33 -2.240 -3.214 -5.371 266 HD13 LEU 33 HD13 LEU 33 -3.651 -4.270 -5.300 267 HD21 LEU 33 HD21 LEU 33 -0.952 -4.534 -2.835 268 HD22 LEU 33 HD22 LEU 33 -1.617 -3.365 -1.694 269 HD23 LEU 33 HD23 LEU 33 -0.938 -2.815 -3.227 270 H GLY 34 HN GLY 34 -5.034 0.293 -3.820 271 HA2 GLY 34 HA2 GLY 34 -7.544 0.761 -3.100 272 HA3 GLY 34 HA1 GLY 34 -6.908 0.210 -1.556 273 H MET 35 HN MET 35 -7.234 2.130 -0.482 274 HA MET 35 HA MET 35 -5.577 4.382 -1.075 275 HB2 MET 35 HB2 MET 35 -8.561 4.878 -1.111 276 HB3 MET 35 HB1 MET 35 -7.270 6.043 -1.415 277 HG2 MET 35 HG2 MET 35 -6.867 5.280 -3.504 278 HG3 MET 35 HG1 MET 35 -7.411 3.636 -3.096 279 HE1 MET 35 HE1 MET 35 -10.295 7.183 -3.869 280 HE2 MET 35 HE2 MET 35 -8.539 7.335 -3.848 281 HE3 MET 35 HE3 MET 35 -9.409 6.980 -2.357 282 H VAL 36 HN VAL 36 -5.142 5.444 0.846 283 HA VAL 36 HA VAL 36 -6.145 3.967 3.146 284 HB VAL 36 HB VAL 36 -4.605 5.115 4.503 285 HG11 VAL 36 HG11 VAL 36 -3.600 3.406 3.218 286 HG12 VAL 36 HG12 VAL 36 -2.463 4.747 3.354 287 HG13 VAL 36 HG13 VAL 36 -3.367 4.505 1.861 288 HG21 VAL 36 HG21 VAL 36 -4.999 7.386 3.685 289 HG22 VAL 36 HG22 VAL 36 -3.981 7.022 2.294 290 HG23 VAL 36 HG23 VAL 36 -3.289 7.014 3.921 291 H ALA 37 HN ALA 37 -7.598 4.660 4.673 292 HA ALA 37 HA ALA 37 -8.701 7.329 4.214 293 HB1 ALA 37 HB1 ALA 37 -10.267 5.743 3.193 294 HB2 ALA 37 HB2 ALA 37 -10.974 6.593 4.567 295 HB3 ALA 37 HB3 ALA 37 -10.433 4.923 4.746 296 H ASP 38 HN ASP 38 -6.844 6.994 5.928 297 HA ASP 38 HA ASP 38 -7.368 8.306 8.140 298 HB2 ASP 38 HB2 ASP 38 -9.022 6.625 8.928 299 HB3 ASP 38 HB1 ASP 38 -7.773 5.383 8.883 300 H GLU 39 HN GLU 39 -5.518 8.305 9.597 301 HA GLU 39 HA GLU 39 -3.304 8.934 8.971 302 HB2 GLU 39 HB2 GLU 39 -1.920 7.374 10.197 303 HB3 GLU 39 HB1 GLU 39 -3.428 7.670 11.047 304 HG2 GLU 39 HG2 GLU 39 -3.967 5.507 11.041 305 HG3 GLU 39 HG1 GLU 39 -3.519 5.304 9.344 306 H GLY 40 HN GLY 40 -2.342 5.657 8.463 307 HA2 GLY 40 HA2 GLY 40 -2.363 6.054 5.540 308 HA3 GLY 40 HA1 GLY 40 -0.940 5.456 6.397 309 H LEU 41 HN LEU 41 -4.365 4.604 6.898 310 HA LEU 41 HA LEU 41 -3.622 1.839 6.266 311 HB2 LEU 41 HB2 LEU 41 -4.607 2.752 8.547 312 HB3 LEU 41 HB1 LEU 41 -6.136 2.564 7.705 313 HG LEU 41 HG LEU 41 -4.148 0.321 8.082 314 HD11 LEU 41 HD11 LEU 41 -5.037 1.170 10.234 315 HD12 LEU 41 HD12 LEU 41 -5.538 -0.479 9.866 316 HD13 LEU 41 HD13 LEU 41 -6.670 0.853 9.643 317 HD21 LEU 41 HD21 LEU 41 -7.028 0.366 7.189 318 HD22 LEU 41 HD22 LEU 41 -6.097 -1.092 7.531 319 HD23 LEU 41 HD23 LEU 41 -5.624 -0.034 6.201 320 H ALA 42 HN ALA 42 -4.379 0.917 4.500 321 HA ALA 42 HA ALA 42 -7.036 1.684 3.536 322 HB1 ALA 42 HB1 ALA 42 -5.463 2.765 1.958 323 HB2 ALA 42 HB2 ALA 42 -6.403 1.498 1.169 324 HB3 ALA 42 HB3 ALA 42 -4.725 1.198 1.640 325 H TRP 43 HN TRP 43 -8.230 -0.156 2.829 326 HA TRP 43 HA TRP 43 -7.152 -2.649 3.509 327 HB2 TRP 43 HB2 TRP 43 -9.646 -2.083 1.908 328 HB3 TRP 43 HB1 TRP 43 -9.208 -3.617 2.661 329 HD1 TRP 43 HD1 TRP 43 -9.930 0.019 3.730 330 HE1 TRP 43 HE1 TRP 43 -10.280 -0.001 6.275 331 HE3 TRP 43 HE3 TRP 43 -9.103 -4.925 4.578 332 HZ2 TRP 43 HZ2 TRP 43 -10.169 -1.876 8.273 333 HZ3 TRP 43 HZ3 TRP 43 -9.273 -5.763 6.882 334 HH2 TRP 43 HH2 TRP 43 -9.822 -4.254 8.718 335 H LEU 44 HN LEU 44 -5.400 -3.291 2.160 336 HA LEU 44 HA LEU 44 -5.396 -2.286 -0.575 337 HB2 LEU 44 HB2 LEU 44 -3.351 -3.259 1.301 338 HB3 LEU 44 HB1 LEU 44 -3.125 -3.787 -0.364 339 HG LEU 44 HG LEU 44 -3.131 -1.463 -1.122 340 HD11 LEU 44 HD11 LEU 44 -3.115 0.376 0.459 341 HD12 LEU 44 HD12 LEU 44 -3.384 -0.751 1.789 342 HD13 LEU 44 HD13 LEU 44 -4.626 -0.530 0.554 343 HD21 LEU 44 HD21 LEU 44 -1.013 -2.496 -0.470 344 HD22 LEU 44 HD22 LEU 44 -1.229 -1.885 1.169 345 HD23 LEU 44 HD23 LEU 44 -1.024 -0.759 -0.172 346 H SER 45 HN SER 45 -6.979 -3.499 -1.522 347 HA SER 45 HA SER 45 -7.510 -6.027 -1.453 348 HB2 SER 45 HB2 SER 45 -7.340 -4.650 -4.115 349 HB3 SER 45 HB1 SER 45 -8.501 -5.880 -3.603 350 HG SER 45 HG SER 45 -8.375 -3.154 -2.987 351 H GLY 46 HN GLY 46 -5.555 -7.136 -0.868 352 HA2 GLY 46 HA2 GLY 46 -4.163 -8.838 -1.428 353 HA3 GLY 46 HA1 GLY 46 -4.919 -8.939 -3.003 354 H VAL 47 HN VAL 47 -2.206 -7.916 -1.192 355 HA VAL 47 HA VAL 47 -1.110 -6.136 -3.203 356 HB VAL 47 HB VAL 47 0.438 -7.384 -0.942 357 HG11 VAL 47 HG11 VAL 47 1.719 -5.274 -1.123 358 HG12 VAL 47 HG12 VAL 47 0.715 -4.826 -2.501 359 HG13 VAL 47 HG13 VAL 47 1.749 -6.250 -2.591 360 HG21 VAL 47 HG21 VAL 47 -0.093 -5.372 0.411 361 HG22 VAL 47 HG22 VAL 47 -1.479 -6.430 0.148 362 HG23 VAL 47 HG23 VAL 47 -1.320 -4.938 -0.781 363 H THR 48 HN THR 48 0.378 -6.763 -4.760 364 HA THR 48 HA THR 48 1.071 -9.513 -5.042 365 HB THR 48 HB THR 48 2.646 -7.381 -6.391 366 HG1 THR 48 HG1 THR 48 0.992 -6.508 -7.351 367 HG21 THR 48 HG21 THR 48 1.327 -9.895 -7.412 368 HG22 THR 48 HG22 THR 48 3.011 -9.756 -6.906 369 HG23 THR 48 HG23 THR 48 2.438 -8.861 -8.314 370 HA PRO 49 HA PRO 49 4.373 -9.119 -2.040 371 HB2 PRO 49 HB2 PRO 49 5.220 -11.675 -2.145 372 HB3 PRO 49 HB1 PRO 49 3.698 -11.226 -1.362 373 HG2 PRO 49 HG2 PRO 49 4.149 -12.293 -4.134 374 HG3 PRO 49 HG1 PRO 49 2.969 -12.829 -2.914 375 HD2 PRO 49 HD2 PRO 49 2.280 -11.156 -4.918 376 HD3 PRO 49 HD1 PRO 49 1.572 -11.017 -3.293 377 H GLY 50 HN GLY 50 6.174 -8.015 -2.682 378 HA2 GLY 50 HA2 GLY 50 8.406 -8.308 -3.450 379 HA3 GLY 50 HA1 GLY 50 7.802 -9.316 -4.758 380 H GLU 51 HN GLU 51 6.858 -5.940 -3.762 381 HA GLU 51 HA GLU 51 7.949 -4.869 -6.053 382 HB2 GLU 51 HB2 GLU 51 6.137 -4.492 -7.605 383 HB3 GLU 51 HB1 GLU 51 6.405 -6.196 -7.339 384 HG2 GLU 51 HG2 GLU 51 4.470 -6.336 -5.919 385 HG3 GLU 51 HG1 GLU 51 4.227 -4.599 -6.035 386 H THR 52 HN THR 52 6.364 -2.861 -6.880 387 HA THR 52 HA THR 52 6.161 -1.322 -4.396 388 HB THR 52 HB THR 52 6.942 0.672 -5.763 389 HG1 THR 52 HG1 THR 52 6.736 -0.619 -7.798 390 HG21 THR 52 HG21 THR 52 8.916 -1.558 -5.253 391 HG22 THR 52 HG22 THR 52 8.362 -0.371 -4.072 392 HG23 THR 52 HG23 THR 52 9.321 0.148 -5.458 393 H LEU 53 HN LEU 53 4.019 -0.776 -4.175 394 HA LEU 53 HA LEU 53 2.326 -0.287 -6.313 395 HB2 LEU 53 HB2 LEU 53 2.088 0.767 -3.493 396 HB3 LEU 53 HB1 LEU 53 0.805 0.591 -4.674 397 HG LEU 53 HG LEU 53 0.659 -1.081 -2.956 398 HD11 LEU 53 HD11 LEU 53 0.526 -3.060 -4.404 399 HD12 LEU 53 HD12 LEU 53 1.429 -2.186 -5.641 400 HD13 LEU 53 HD13 LEU 53 -0.173 -1.625 -5.158 401 HD21 LEU 53 HD21 LEU 53 2.283 -2.780 -2.629 402 HD22 LEU 53 HD22 LEU 53 3.051 -1.195 -2.449 403 HD23 LEU 53 HD23 LEU 53 3.272 -2.126 -3.935 404 H SER 54 HN SER 54 1.809 1.548 -7.371 405 HA SER 54 HA SER 54 3.346 3.906 -6.924 406 HB2 SER 54 HB2 SER 54 0.937 3.686 -8.705 407 HB3 SER 54 HB1 SER 54 2.314 4.780 -8.869 408 HG SER 54 HG SER 54 2.006 2.233 -9.772 409 H VAL 55 HN VAL 55 2.947 5.104 -5.154 410 HA VAL 55 HA VAL 55 0.181 5.031 -4.182 411 HB VAL 55 HB VAL 55 2.693 5.587 -2.602 412 HG11 VAL 55 HG11 VAL 55 1.183 5.323 -0.642 413 HG12 VAL 55 HG12 VAL 55 -0.187 5.296 -1.754 414 HG13 VAL 55 HG13 VAL 55 0.817 6.740 -1.626 415 HG21 VAL 55 HG21 VAL 55 2.142 3.373 -1.555 416 HG22 VAL 55 HG22 VAL 55 2.746 3.319 -3.212 417 HG23 VAL 55 HG23 VAL 55 1.024 3.117 -2.895 418 H ASN 56 HN ASN 56 -0.773 6.690 -5.107 419 HA ASN 56 HA ASN 56 0.473 9.265 -5.510 420 HB2 ASN 56 HB2 ASN 56 -2.327 8.267 -6.026 421 HB3 ASN 56 HB1 ASN 56 -1.832 9.933 -6.302 422 HD21 ASN 56 HD21 ASN 56 -1.571 6.642 -7.363 423 HD22 ASN 56 HD22 ASN 56 -0.838 6.998 -8.902 424 H TRP 57 HN TRP 57 0.113 11.078 -4.344 425 HA TRP 57 HA TRP 57 -1.653 11.085 -2.133 426 HB2 TRP 57 HB2 TRP 57 -0.104 9.912 -0.840 427 HB3 TRP 57 HB1 TRP 57 1.271 10.600 -1.690 428 HD1 TRP 57 HD1 TRP 57 -1.320 12.935 -0.351 429 HE1 TRP 57 HE1 TRP 57 -0.317 14.388 1.468 430 HE3 TRP 57 HE3 TRP 57 3.019 10.349 0.428 431 HZ2 TRP 57 HZ2 TRP 57 1.926 14.452 2.944 432 HZ3 TRP 57 HZ3 TRP 57 4.533 11.231 2.167 433 HH2 TRP 57 HH2 TRP 57 4.000 13.232 3.426 434 H ASP 58 HN ASP 58 -2.198 13.135 -1.561 435 HA ASP 58 HA ASP 58 -2.563 15.093 -3.113 436 HB2 ASP 58 HB2 ASP 58 -2.534 16.783 -1.404 437 HB3 ASP 58 HB1 ASP 58 -3.129 15.264 -0.774 438 H GLY 59 HN GLY 59 0.622 15.553 -1.391 439 HA2 GLY 59 HA2 GLY 59 1.411 17.577 -3.063 440 HA3 GLY 59 HA1 GLY 59 2.554 16.456 -2.333 441 H LYS 60 HN LYS 60 1.248 14.266 -4.086 442 HA LYS 60 HA LYS 60 1.894 14.581 -6.777 443 HB2 LYS 60 HB2 LYS 60 4.210 13.737 -6.794 444 HB3 LYS 60 HB1 LYS 60 4.088 15.298 -5.991 445 HG2 LYS 60 HG2 LYS 60 3.721 13.580 -3.890 446 HG3 LYS 60 HG1 LYS 60 4.851 12.680 -4.939 447 HD2 LYS 60 HD2 LYS 60 6.266 14.782 -5.073 448 HD3 LYS 60 HD1 LYS 60 5.259 15.430 -3.777 449 HE2 LYS 60 HE2 LYS 60 5.891 13.545 -2.347 450 HE3 LYS 60 HE1 LYS 60 6.897 12.901 -3.642 451 HZ1 LYS 60 HZ1 LYS 60 8.193 14.127 -2.007 452 HZ2 LYS 60 HZ2 LYS 60 7.292 15.524 -2.304 453 HZ3 LYS 60 HZ3 LYS 60 8.276 14.866 -3.526 454 H ILE 61 HN ILE 61 3.672 12.176 -6.625 455 HA ILE 61 HA ILE 61 1.904 10.207 -5.492 456 HB ILE 61 HB ILE 61 1.919 10.036 -7.980 457 HG12 ILE 61 HG12 ILE 61 3.100 7.699 -6.479 458 HG13 ILE 61 HG11 ILE 61 1.375 8.082 -6.582 459 HG21 ILE 61 HG21 ILE 61 3.813 9.200 -9.186 460 HG22 ILE 61 HG22 ILE 61 4.769 9.150 -7.706 461 HG23 ILE 61 HG23 ILE 61 4.251 10.702 -8.369 462 HD11 ILE 61 HD11 ILE 61 3.176 7.239 -8.847 463 HD12 ILE 61 HD12 ILE 61 1.483 7.709 -9.010 464 HD13 ILE 61 HD13 ILE 61 1.913 6.287 -8.067 465 H GLN 62 HN GLN 62 3.133 9.524 -3.580 466 HA GLN 62 HA GLN 62 5.592 11.128 -3.726 467 HB2 GLN 62 HB2 GLN 62 4.186 10.668 -1.133 468 HB3 GLN 62 HB1 GLN 62 5.325 11.913 -1.623 469 HG2 GLN 62 HG2 GLN 62 3.442 12.590 -3.281 470 HG3 GLN 62 HG1 GLN 62 2.417 11.748 -2.113 471 HE21 GLN 62 HE21 GLN 62 1.399 13.693 -1.691 472 HE22 GLN 62 HE22 GLN 62 2.092 14.893 -0.629 473 H CYS 63 HN CYS 63 4.206 8.136 -2.804 474 HA CYS 63 HA CYS 63 6.930 7.127 -2.532 475 HB2 CYS 63 HB2 CYS 63 6.205 5.790 -0.580 476 HB3 CYS 63 HB1 CYS 63 6.177 7.530 -0.282 477 H GLN 64 HN GLN 64 7.035 4.795 -2.675 478 HA GLN 64 HA GLN 64 4.726 3.637 -4.011 479 HB2 GLN 64 HB2 GLN 64 7.561 3.327 -4.997 480 HB3 GLN 64 HB1 GLN 64 6.142 2.473 -5.618 481 HG2 GLN 64 HG2 GLN 64 5.103 4.627 -6.095 482 HG3 GLN 64 HG1 GLN 64 6.602 5.405 -5.589 483 HE21 GLN 64 HE21 GLN 64 5.086 3.439 -8.032 484 HE22 GLN 64 HE22 GLN 64 6.303 3.640 -9.238 485 H VAL 65 HN VAL 65 4.295 1.600 -3.207 486 HA VAL 65 HA VAL 65 5.835 1.377 -0.816 487 HB VAL 65 HB VAL 65 3.075 0.497 -1.447 488 HG11 VAL 65 HG11 VAL 65 4.190 -1.620 -0.812 489 HG12 VAL 65 HG12 VAL 65 3.022 -1.093 0.397 490 HG13 VAL 65 HG13 VAL 65 4.746 -0.859 0.678 491 HG21 VAL 65 HG21 VAL 65 4.498 1.625 0.934 492 HG22 VAL 65 HG22 VAL 65 2.771 1.262 0.888 493 HG23 VAL 65 HG23 VAL 65 3.447 2.491 -0.185 494 H ASN 66 HN ASN 66 7.154 -0.348 -0.379 495 HA ASN 66 HA ASN 66 7.406 -2.183 -2.652 496 HB2 ASN 66 HB2 ASN 66 9.531 -1.037 -2.202 497 HB3 ASN 66 HB1 ASN 66 9.462 -1.539 -0.511 498 HD21 ASN 66 HD21 ASN 66 9.972 -2.583 -3.794 499 HD22 ASN 66 HD22 ASN 66 10.695 -4.102 -3.407 500 H VAL 67 HN VAL 67 6.886 -4.175 -2.373 501 HA VAL 67 HA VAL 67 6.172 -5.098 0.291 502 HB VAL 67 HB VAL 67 4.977 -5.806 -2.367 503 HG11 VAL 67 HG11 VAL 67 3.236 -6.932 -1.073 504 HG12 VAL 67 HG12 VAL 67 4.103 -6.564 0.418 505 HG13 VAL 67 HG13 VAL 67 4.819 -7.650 -0.774 506 HG21 VAL 67 HG21 VAL 67 4.510 -3.508 -1.664 507 HG22 VAL 67 HG22 VAL 67 3.890 -4.108 -0.126 508 HG23 VAL 67 HG23 VAL 67 3.056 -4.506 -1.629 509 HA PRO 68 HA PRO 68 8.723 -8.666 -0.516 510 HB2 PRO 68 HB2 PRO 68 8.358 -9.543 2.140 511 HB3 PRO 68 HB1 PRO 68 9.703 -8.579 1.529 512 HG2 PRO 68 HG2 PRO 68 7.779 -7.723 3.371 513 HG3 PRO 68 HG1 PRO 68 8.889 -6.680 2.465 514 HD2 PRO 68 HD2 PRO 68 6.031 -7.355 1.899 515 HD3 PRO 68 HD1 PRO 68 6.893 -5.815 1.679 516 H GLU 69 HN GLU 69 8.406 -11.078 0.257 517 HA GLU 69 HA GLU 69 5.997 -11.957 -1.061 518 HB2 GLU 69 HB2 GLU 69 6.878 -14.190 -0.750 519 HB3 GLU 69 HB1 GLU 69 8.152 -13.138 -1.346 520 HG2 GLU 69 HG2 GLU 69 7.790 -14.070 1.498 521 HG3 GLU 69 HG1 GLU 69 8.995 -14.649 0.352 522 H THR 70 HN THR 70 7.007 -11.429 2.205 523 HA THR 70 HA THR 70 5.405 -13.019 3.618 524 HB THR 70 HB THR 70 5.348 -11.176 5.378 525 HG1 THR 70 HG1 THR 70 6.174 -9.780 3.165 526 HG21 THR 70 HG21 THR 70 7.107 -12.844 5.345 527 HG22 THR 70 HG22 THR 70 7.805 -11.265 5.709 528 HG23 THR 70 HG23 THR 70 7.971 -11.952 4.093 529 H ALA 71 HN ALA 71 4.046 -10.655 1.548 530 HA ALA 71 HA ALA 71 1.723 -10.172 3.290 531 HB1 ALA 71 HB1 ALA 71 1.017 -8.525 1.630 532 HB2 ALA 71 HB2 ALA 71 2.411 -8.924 0.628 533 HB3 ALA 71 HB3 ALA 71 2.647 -8.178 2.207 534 H ILE 72 HN ILE 72 -0.222 -10.940 2.850 535 HA ILE 72 HA ILE 72 -0.404 -12.878 0.682 536 HB ILE 72 HB ILE 72 -1.145 -13.194 3.575 537 HG12 ILE 72 HG12 ILE 72 1.225 -13.516 3.108 538 HG13 ILE 72 HG11 ILE 72 0.471 -15.047 3.536 539 HG21 ILE 72 HG21 ILE 72 -1.819 -15.522 2.961 540 HG22 ILE 72 HG22 ILE 72 -1.702 -15.057 1.264 541 HG23 ILE 72 HG23 ILE 72 -2.884 -14.276 2.314 542 HD11 ILE 72 HD11 ILE 72 0.360 -15.612 1.134 543 HD12 ILE 72 HD12 ILE 72 2.005 -15.382 1.724 544 HD13 ILE 72 HD13 ILE 72 1.225 -14.116 0.775 545 H SER 73 HN SER 73 -2.816 -12.213 3.197 546 HA SER 73 HA SER 73 -4.504 -10.554 1.564 547 HB2 SER 73 HB2 SER 73 -6.291 -12.331 1.383 548 HB3 SER 73 HB1 SER 73 -4.877 -12.586 0.362 549 HG SER 73 HG SER 73 -5.476 -13.850 2.833 550 H ASP 74 HN ASP 74 -6.405 -9.738 2.799 551 HA ASP 74 HA ASP 74 -7.028 -8.802 4.781 552 HB2 ASP 74 HB2 ASP 74 -6.916 -11.717 5.615 553 HB3 ASP 74 HB1 ASP 74 -7.895 -10.460 6.364 554 H GLN 75 HN GLN 75 -6.545 -9.429 7.432 555 HA GLN 75 HA GLN 75 -5.049 -9.494 9.139 556 HB2 GLN 75 HB2 GLN 75 -3.151 -10.570 7.049 557 HB3 GLN 75 HB1 GLN 75 -2.826 -10.523 8.779 558 HG2 GLN 75 HG2 GLN 75 -4.543 -12.084 9.237 559 HG3 GLN 75 HG1 GLN 75 -5.190 -11.953 7.602 560 HE21 GLN 75 HE21 GLN 75 -4.153 -12.983 5.912 561 HE22 GLN 75 HE22 GLN 75 -2.974 -14.233 6.186 562 H GLN 76 HN GLN 76 -3.537 -8.174 10.108 563 HA GLN 76 HA GLN 76 -3.088 -5.674 8.836 564 HB2 GLN 76 HB2 GLN 76 -2.144 -6.743 11.505 565 HB3 GLN 76 HB1 GLN 76 -1.881 -5.094 10.962 566 HG2 GLN 76 HG2 GLN 76 -3.733 -4.836 12.268 567 HG3 GLN 76 HG1 GLN 76 -4.470 -5.068 10.686 568 HE21 GLN 76 HE21 GLN 76 -5.586 -5.497 13.323 569 HE22 GLN 76 HE22 GLN 76 -6.079 -7.160 13.380 570 H LEU 77 HN LEU 77 -1.297 -4.893 7.853 571 HA LEU 77 HA LEU 77 1.178 -6.305 8.076 572 HB2 LEU 77 HB2 LEU 77 -0.344 -7.276 6.098 573 HB3 LEU 77 HB1 LEU 77 0.289 -5.875 5.256 574 HG LEU 77 HG LEU 77 1.579 -7.909 4.773 575 HD11 LEU 77 HD11 LEU 77 2.715 -5.763 4.669 576 HD12 LEU 77 HD12 LEU 77 3.807 -7.032 5.223 577 HD13 LEU 77 HD13 LEU 77 3.128 -5.886 6.379 578 HD21 LEU 77 HD21 LEU 77 3.032 -8.837 6.581 579 HD22 LEU 77 HD22 LEU 77 1.310 -9.159 6.781 580 HD23 LEU 77 HD23 LEU 77 2.088 -7.901 7.741 581 H LEU 78 HN LEU 78 2.696 -4.727 8.148 582 HA LEU 78 HA LEU 78 1.718 -2.037 7.582 583 HB2 LEU 78 HB2 LEU 78 2.675 -2.568 9.872 584 HB3 LEU 78 HB1 LEU 78 4.227 -2.801 9.086 585 HG LEU 78 HG LEU 78 2.771 -0.187 8.821 586 HD11 LEU 78 HD11 LEU 78 2.895 -0.689 11.213 587 HD12 LEU 78 HD12 LEU 78 3.977 0.632 10.769 588 HD13 LEU 78 HD13 LEU 78 4.627 -0.983 11.059 589 HD21 LEU 78 HD21 LEU 78 4.661 -0.477 7.360 590 HD22 LEU 78 HD22 LEU 78 5.666 -1.026 8.702 591 HD23 LEU 78 HD23 LEU 78 5.113 0.648 8.644 592 H LEU 79 HN LEU 79 2.733 -0.840 5.962 593 HA LEU 79 HA LEU 79 4.639 -2.387 4.359 594 HB2 LEU 79 HB2 LEU 79 2.270 -0.816 3.370 595 HB3 LEU 79 HB1 LEU 79 3.579 -1.339 2.327 596 HG LEU 79 HG LEU 79 1.736 -3.158 3.885 597 HD11 LEU 79 HD11 LEU 79 1.940 -2.653 0.922 598 HD12 LEU 79 HD12 LEU 79 0.674 -2.025 1.978 599 HD13 LEU 79 HD13 LEU 79 0.831 -3.765 1.727 600 HD21 LEU 79 HD21 LEU 79 4.000 -4.074 3.643 601 HD22 LEU 79 HD22 LEU 79 3.904 -3.829 1.899 602 HD23 LEU 79 HD23 LEU 79 2.820 -4.972 2.691 603 HA PRO 80 HA PRO 80 6.878 1.422 4.472 604 HB2 PRO 80 HB2 PRO 80 9.046 0.565 3.120 605 HB3 PRO 80 HB1 PRO 80 8.672 0.022 4.758 606 HG2 PRO 80 HG2 PRO 80 8.476 -1.436 2.208 607 HG3 PRO 80 HG1 PRO 80 8.627 -2.065 3.857 608 HD2 PRO 80 HD2 PRO 80 6.253 -1.820 2.257 609 HD3 PRO 80 HD1 PRO 80 6.403 -2.461 3.904 610 H CYS 81 HN CYS 81 6.314 3.129 3.324 611 HA CYS 81 HA CYS 81 6.028 3.100 0.447 612 HB2 CYS 81 HB2 CYS 81 5.328 4.845 2.650 613 HB3 CYS 81 HB1 CYS 81 6.066 5.752 1.330 614 H THR 82 HN THR 82 7.809 3.049 -0.782 615 HA THR 82 HA THR 82 10.274 4.192 0.047 616 HB THR 82 HB THR 82 9.589 3.359 -2.770 617 HG1 THR 82 HG1 THR 82 9.111 1.490 -1.876 618 HG21 THR 82 HG21 THR 82 11.777 4.368 -2.501 619 HG22 THR 82 HG22 THR 82 11.964 2.634 -2.770 620 HG23 THR 82 HG23 THR 82 12.137 3.298 -1.146 621 HA PRO 83 HA PRO 83 9.238 8.264 -1.557 622 HB2 PRO 83 HB2 PRO 83 11.270 9.589 -0.415 623 HB3 PRO 83 HB1 PRO 83 9.898 9.005 0.538 624 HG2 PRO 83 HG2 PRO 83 12.631 7.828 0.229 625 HG3 PRO 83 HG1 PRO 83 11.636 7.981 1.689 626 HD2 PRO 83 HD2 PRO 83 11.864 5.676 0.198 627 HD3 PRO 83 HD1 PRO 83 10.480 6.062 1.238 628 H GLN 84 HN GLN 84 10.289 9.835 -2.954 629 HA GLN 84 HA GLN 84 12.712 8.901 -4.261 630 HB2 GLN 84 HB2 GLN 84 10.875 7.997 -5.627 631 HB3 GLN 84 HB1 GLN 84 10.209 9.621 -5.804 632 HG2 GLN 84 HG2 GLN 84 12.200 10.319 -7.017 633 HG3 GLN 84 HG1 GLN 84 12.900 8.714 -6.810 634 HE21 GLN 84 HE21 GLN 84 9.508 9.176 -7.424 635 HE22 GLN 84 HE22 GLN 84 9.515 8.545 -9.040 636 H LYS 85 HN LYS 85 10.280 11.482 -4.808 637 HA LYS 85 HA LYS 85 12.352 13.410 -4.280 638 HB2 LYS 85 HB2 LYS 85 12.128 12.901 -6.869 639 HB3 LYS 85 HB1 LYS 85 10.709 13.930 -6.731 640 HG2 LYS 85 HG2 LYS 85 13.540 14.700 -6.030 641 HG3 LYS 85 HG1 LYS 85 12.633 15.214 -7.454 642 HD2 LYS 85 HD2 LYS 85 11.097 16.454 -6.120 643 HD3 LYS 85 HD1 LYS 85 11.750 15.772 -4.631 644 HE2 LYS 85 HE2 LYS 85 13.932 16.875 -5.210 645 HE3 LYS 85 HE1 LYS 85 13.081 17.706 -6.514 646 HZ1 LYS 85 HZ1 LYS 85 11.602 18.688 -4.890 647 HZ2 LYS 85 HZ2 LYS 85 13.206 19.054 -4.501 648 HZ3 LYS 85 HZ3 LYS 85 12.378 17.862 -3.634 Start of MODEL 4 1 H1 VAL 1 HT1 VAL 1 -7.397 -17.570 -3.678 2 H2 VAL 1 HT2 VAL 1 -6.127 -18.229 -4.592 3 H3 VAL 1 HT3 VAL 1 -6.725 -16.685 -4.955 4 HA VAL 1 HA VAL 1 -5.975 -15.850 -2.832 5 HB VAL 1 HB VAL 1 -4.404 -17.237 -1.493 6 HG11 VAL 1 HG11 VAL 1 -7.179 -18.379 -1.772 7 HG12 VAL 1 HG12 VAL 1 -6.728 -16.979 -0.802 8 HG13 VAL 1 HG13 VAL 1 -6.116 -18.577 -0.380 9 HG21 VAL 1 HG21 VAL 1 -3.741 -18.857 -3.170 10 HG22 VAL 1 HG22 VAL 1 -5.389 -19.479 -3.255 11 HG23 VAL 1 HG23 VAL 1 -4.446 -19.683 -1.779 12 H LEU 2 HN LEU 2 -5.218 -15.960 -5.679 13 HA LEU 2 HA LEU 2 -2.410 -16.553 -5.920 14 HB2 LEU 2 HB2 LEU 2 -4.321 -15.025 -7.685 15 HB3 LEU 2 HB1 LEU 2 -2.618 -15.204 -8.050 16 HG LEU 2 HG LEU 2 -3.705 -16.818 -9.362 17 HD11 LEU 2 HD11 LEU 2 -2.743 -18.233 -6.885 18 HD12 LEU 2 HD12 LEU 2 -1.740 -17.693 -8.233 19 HD13 LEU 2 HD13 LEU 2 -2.945 -18.957 -8.480 20 HD21 LEU 2 HD21 LEU 2 -5.252 -17.653 -6.917 21 HD22 LEU 2 HD22 LEU 2 -5.332 -18.420 -8.502 22 HD23 LEU 2 HD23 LEU 2 -5.886 -16.758 -8.298 23 H LYS 3 HN LYS 3 -4.293 -13.503 -5.952 24 HA LYS 3 HA LYS 3 -1.969 -12.192 -4.785 25 HB2 LYS 3 HB2 LYS 3 -3.240 -10.088 -5.262 26 HB3 LYS 3 HB1 LYS 3 -2.828 -11.037 -6.680 27 HG2 LYS 3 HG2 LYS 3 -5.164 -11.978 -6.578 28 HG3 LYS 3 HG1 LYS 3 -5.511 -10.738 -5.367 29 HD2 LYS 3 HD2 LYS 3 -4.858 -9.000 -6.949 30 HD3 LYS 3 HD1 LYS 3 -4.474 -10.226 -8.156 31 HE2 LYS 3 HE2 LYS 3 -6.892 -10.974 -7.936 32 HE3 LYS 3 HE1 LYS 3 -7.164 -9.474 -7.048 33 HZ1 LYS 3 HZ1 LYS 3 -6.271 -8.268 -8.995 34 HZ2 LYS 3 HZ2 LYS 3 -7.692 -9.128 -9.343 35 HZ3 LYS 3 HZ3 LYS 3 -6.190 -9.737 -9.840 36 H GLY 4 HN GLY 4 -3.728 -14.022 -3.348 37 HA2 GLY 4 HA2 GLY 4 -4.169 -14.142 -1.103 38 HA3 GLY 4 HA1 GLY 4 -3.994 -12.387 -1.008 39 H LYS 5 HN LYS 5 -5.546 -11.196 -0.763 40 HA LYS 5 HA LYS 5 -8.279 -12.196 -0.679 41 HB2 LYS 5 HB2 LYS 5 -6.606 -11.543 1.773 42 HB3 LYS 5 HB1 LYS 5 -8.355 -11.678 1.796 43 HG2 LYS 5 HG2 LYS 5 -6.515 -13.920 0.999 44 HG3 LYS 5 HG1 LYS 5 -7.131 -13.678 2.635 45 HD2 LYS 5 HD2 LYS 5 -9.431 -13.860 1.773 46 HD3 LYS 5 HD1 LYS 5 -8.789 -14.148 0.155 47 HE2 LYS 5 HE2 LYS 5 -9.415 -16.249 1.238 48 HE3 LYS 5 HE1 LYS 5 -7.679 -16.176 0.947 49 HZ1 LYS 5 HZ1 LYS 5 -9.053 -15.701 3.542 50 HZ2 LYS 5 HZ2 LYS 5 -7.391 -15.517 3.284 51 HZ3 LYS 5 HZ3 LYS 5 -8.102 -17.042 3.130 52 H ARG 6 HN ARG 6 -8.110 -10.030 1.524 53 HA ARG 6 HA ARG 6 -7.784 -7.807 -0.052 54 HB2 ARG 6 HB2 ARG 6 -10.262 -7.698 1.665 55 HB3 ARG 6 HB1 ARG 6 -9.615 -6.470 0.581 56 HG2 ARG 6 HG2 ARG 6 -10.112 -8.196 -1.270 57 HG3 ARG 6 HG1 ARG 6 -11.183 -8.889 -0.056 58 HD2 ARG 6 HD2 ARG 6 -11.224 -6.037 -1.013 59 HD3 ARG 6 HD1 ARG 6 -12.373 -7.291 -1.465 60 HE ARG 6 HE ARG 6 -12.657 -7.304 1.182 61 HH11 ARG 6 HH11 ARG 6 -12.501 -4.604 -1.058 62 HH12 ARG 6 HH12 ARG 6 -13.470 -3.555 -0.059 63 HH21 ARG 6 HH21 ARG 6 -13.965 -5.938 2.470 64 HH22 ARG 6 HH22 ARG 6 -14.282 -4.308 1.955 65 H LEU 7 HN LEU 7 -7.730 -5.960 1.846 66 HA LEU 7 HA LEU 7 -6.781 -7.275 4.104 67 HB2 LEU 7 HB2 LEU 7 -4.444 -5.964 3.534 68 HB3 LEU 7 HB1 LEU 7 -4.718 -7.693 3.569 69 HG LEU 7 HG LEU 7 -3.651 -6.813 1.546 70 HD11 LEU 7 HD11 LEU 7 -4.528 -8.976 1.579 71 HD12 LEU 7 HD12 LEU 7 -4.705 -8.222 -0.005 72 HD13 LEU 7 HD13 LEU 7 -6.090 -8.334 1.077 73 HD21 LEU 7 HD21 LEU 7 -4.836 -5.647 -0.156 74 HD22 LEU 7 HD22 LEU 7 -4.980 -4.733 1.351 75 HD23 LEU 7 HD23 LEU 7 -6.318 -5.739 0.800 76 H PHE 8 HN PHE 8 -5.185 -5.605 5.323 77 HA PHE 8 HA PHE 8 -6.538 -2.980 5.292 78 HB2 PHE 8 HB2 PHE 8 -5.829 -4.179 7.956 79 HB3 PHE 8 HB1 PHE 8 -6.989 -2.908 7.583 80 HD1 PHE 8 HD1 PHE 8 -8.696 -4.218 5.560 81 HD2 PHE 8 HD2 PHE 8 -6.994 -5.757 9.142 82 HE1 PHE 8 HE1 PHE 8 -10.518 -5.864 5.717 83 HE2 PHE 8 HE2 PHE 8 -8.811 -7.404 9.301 84 HZ PHE 8 HZ PHE 8 -10.576 -7.460 7.588 85 H ALA 9 HN ALA 9 -4.695 -1.813 4.582 86 HA ALA 9 HA ALA 9 -2.124 -2.847 5.565 87 HB1 ALA 9 HB1 ALA 9 -2.323 -2.945 3.133 88 HB2 ALA 9 HB2 ALA 9 -1.054 -1.835 3.652 89 HB3 ALA 9 HB3 ALA 9 -2.604 -1.203 3.093 90 H ILE 10 HN ILE 10 -0.734 -1.556 6.557 91 HA ILE 10 HA ILE 10 -1.646 1.156 7.262 92 HB ILE 10 HB ILE 10 0.424 -0.551 8.678 93 HG12 ILE 10 HG12 ILE 10 -1.290 -0.233 10.613 94 HG13 ILE 10 HG11 ILE 10 -2.437 0.121 9.327 95 HG21 ILE 10 HG21 ILE 10 0.989 1.810 8.741 96 HG22 ILE 10 HG22 ILE 10 0.488 1.251 10.337 97 HG23 ILE 10 HG23 ILE 10 -0.621 2.198 9.345 98 HD11 ILE 10 HD11 ILE 10 -2.008 -2.077 8.348 99 HD12 ILE 10 HD12 ILE 10 -2.585 -2.197 10.010 100 HD13 ILE 10 HD13 ILE 10 -0.874 -2.431 9.651 101 H LEU 11 HN LEU 11 -0.458 2.775 6.264 102 HA LEU 11 HA LEU 11 1.754 1.838 4.612 103 HB2 LEU 11 HB2 LEU 11 -0.059 4.211 4.173 104 HB3 LEU 11 HB1 LEU 11 1.342 3.814 3.195 105 HG LEU 11 HG LEU 11 -1.209 2.224 3.428 106 HD11 LEU 11 HD11 LEU 11 -1.397 2.736 1.038 107 HD12 LEU 11 HD12 LEU 11 0.071 3.708 1.138 108 HD13 LEU 11 HD13 LEU 11 -1.373 4.199 2.023 109 HD21 LEU 11 HD21 LEU 11 0.718 0.725 3.290 110 HD22 LEU 11 HD22 LEU 11 1.305 1.603 1.878 111 HD23 LEU 11 HD23 LEU 11 -0.210 0.706 1.790 112 H ARG 12 HN ARG 12 3.632 2.509 5.336 113 HA ARG 12 HA ARG 12 3.752 5.101 6.750 114 HB2 ARG 12 HB2 ARG 12 3.901 3.040 8.156 115 HB3 ARG 12 HB1 ARG 12 5.342 2.570 7.271 116 HG2 ARG 12 HG2 ARG 12 6.045 3.509 9.325 117 HG3 ARG 12 HG1 ARG 12 6.414 4.684 8.063 118 HD2 ARG 12 HD2 ARG 12 5.485 5.804 9.992 119 HD3 ARG 12 HD1 ARG 12 4.373 5.918 8.632 120 HE ARG 12 HE ARG 12 3.253 3.914 9.812 121 HH11 ARG 12 HH11 ARG 12 4.828 6.595 11.413 122 HH12 ARG 12 HH12 ARG 12 3.792 6.531 12.805 123 HH21 ARG 12 HH21 ARG 12 1.868 3.854 11.659 124 HH22 ARG 12 HH22 ARG 12 2.134 4.989 12.947 125 H LEU 13 HN LEU 13 5.239 6.542 6.075 126 HA LEU 13 HA LEU 13 6.964 6.243 3.852 127 HB2 LEU 13 HB2 LEU 13 6.538 8.260 6.012 128 HB3 LEU 13 HB1 LEU 13 8.083 8.248 5.199 129 HG LEU 13 HG LEU 13 6.536 9.961 4.355 130 HD11 LEU 13 HD11 LEU 13 6.845 9.533 1.982 131 HD12 LEU 13 HD12 LEU 13 7.254 7.854 2.339 132 HD13 LEU 13 HD13 LEU 13 8.293 9.158 2.919 133 HD21 LEU 13 HD21 LEU 13 4.398 8.896 4.592 134 HD22 LEU 13 HD22 LEU 13 4.862 7.640 3.441 135 HD23 LEU 13 HD23 LEU 13 4.661 9.302 2.898 136 H ALA 14 HN ALA 14 8.966 5.674 3.935 137 HA ALA 14 HA ALA 14 10.059 4.042 5.808 138 HB1 ALA 14 HB1 ALA 14 10.938 4.212 3.545 139 HB2 ALA 14 HB2 ALA 14 12.233 4.363 4.734 140 HB3 ALA 14 HB3 ALA 14 11.615 5.799 3.915 141 H ASP 15 HN ASP 15 10.295 7.541 5.692 142 HA ASP 15 HA ASP 15 12.181 7.741 7.804 143 HB2 ASP 15 HB2 ASP 15 11.677 10.148 7.765 144 HB3 ASP 15 HB1 ASP 15 11.961 9.517 6.143 145 H GLY 16 HN GLY 16 8.780 7.250 7.784 146 HA2 GLY 16 HA2 GLY 16 8.010 6.360 10.015 147 HA3 GLY 16 HA1 GLY 16 8.763 7.802 10.683 148 H SER 17 HN SER 17 7.704 9.295 8.158 149 HA SER 17 HA SER 17 5.163 9.938 9.229 150 HB2 SER 17 HB2 SER 17 4.978 11.420 7.195 151 HB3 SER 17 HB1 SER 17 6.422 11.674 8.180 152 HG SER 17 HG SER 17 7.649 10.639 6.665 153 H GLN 18 HN GLN 18 3.688 10.233 6.591 154 HA GLN 18 HA GLN 18 2.969 7.420 6.345 155 HB2 GLN 18 HB2 GLN 18 1.271 9.504 7.495 156 HB3 GLN 18 HB1 GLN 18 0.525 8.497 6.271 157 HG2 GLN 18 HG2 GLN 18 0.049 7.207 8.077 158 HG3 GLN 18 HG1 GLN 18 1.697 6.628 7.831 159 HE21 GLN 18 HE21 GLN 18 -0.391 8.583 9.777 160 HE22 GLN 18 HE22 GLN 18 0.727 8.843 11.087 161 HA PRO 19 HA PRO 19 1.402 8.782 2.344 162 HB2 PRO 19 HB2 PRO 19 0.711 6.022 1.889 163 HB3 PRO 19 HB1 PRO 19 1.931 6.976 1.044 164 HG2 PRO 19 HG2 PRO 19 2.485 4.848 2.706 165 HG3 PRO 19 HG1 PRO 19 3.628 6.139 2.303 166 HD2 PRO 19 HD2 PRO 19 1.983 5.764 4.765 167 HD3 PRO 19 HD1 PRO 19 3.624 6.421 4.589 168 HA PRO 20 HA PRO 20 -2.151 8.348 4.987 169 HB2 PRO 20 HB2 PRO 20 -2.550 10.908 5.250 170 HB3 PRO 20 HB1 PRO 20 -0.949 10.292 5.637 171 HG2 PRO 20 HG2 PRO 20 -1.883 11.740 3.195 172 HG3 PRO 20 HG1 PRO 20 -0.362 11.910 4.094 173 HD2 PRO 20 HD2 PRO 20 -0.855 10.248 1.827 174 HD3 PRO 20 HD1 PRO 20 0.619 10.308 2.824 175 H PHE 21 HN PHE 21 -4.315 10.275 4.605 176 HA PHE 21 HA PHE 21 -5.967 8.521 3.194 177 HB2 PHE 21 HB2 PHE 21 -6.933 9.871 4.844 178 HB3 PHE 21 HB1 PHE 21 -6.336 11.320 4.103 179 HD1 PHE 21 HD1 PHE 21 -7.454 12.279 2.136 180 HD2 PHE 21 HD2 PHE 21 -8.934 8.820 4.117 181 HE1 PHE 21 HE1 PHE 21 -9.617 12.566 1.005 182 HE2 PHE 21 HE2 PHE 21 -11.100 9.091 2.983 183 HZ PHE 21 HZ PHE 21 -11.444 10.968 1.426 184 H GLY 22 HN GLY 22 -5.772 8.040 1.118 185 HA2 GLY 22 HA2 GLY 22 -6.730 8.893 -1.053 186 HA3 GLY 22 HA1 GLY 22 -5.622 10.227 -0.801 187 H ALA 23 HN ALA 23 -3.731 8.337 0.515 188 HA ALA 23 HA ALA 23 -1.982 7.875 -1.491 189 HB1 ALA 23 HB1 ALA 23 -2.271 6.180 0.978 190 HB2 ALA 23 HB2 ALA 23 -1.399 7.709 0.866 191 HB3 ALA 23 HB3 ALA 23 -0.834 6.301 -0.037 192 H SER 24 HN SER 24 -3.076 7.144 -3.245 193 HA SER 24 HA SER 24 -4.145 4.654 -3.614 194 HB2 SER 24 HB2 SER 24 -2.926 6.757 -5.291 195 HB3 SER 24 HB1 SER 24 -3.016 5.167 -6.049 196 HG SER 24 HG SER 24 -5.299 6.110 -4.727 197 H VAL 25 HN VAL 25 -2.963 2.984 -2.659 198 HA VAL 25 HA VAL 25 -0.230 2.461 -3.528 199 HB VAL 25 HB VAL 25 -0.825 0.145 -2.471 200 HG11 VAL 25 HG11 VAL 25 0.865 1.788 -1.653 201 HG12 VAL 25 HG12 VAL 25 0.057 0.935 -0.338 202 HG13 VAL 25 HG13 VAL 25 -0.406 2.593 -0.725 203 HG21 VAL 25 HG21 VAL 25 -2.791 1.981 -1.096 204 HG22 VAL 25 HG22 VAL 25 -2.344 0.367 -0.542 205 HG23 VAL 25 HG23 VAL 25 -3.177 0.569 -2.084 206 H THR 26 HN THR 26 -0.290 2.117 -5.690 207 HA THR 26 HA THR 26 -1.649 -0.203 -6.602 208 HB THR 26 HB THR 26 -3.071 0.567 -8.223 209 HG1 THR 26 HG1 THR 26 -1.462 2.609 -8.461 210 HG21 THR 26 HG21 THR 26 -3.552 2.494 -5.951 211 HG22 THR 26 HG22 THR 26 -4.108 0.819 -6.036 212 HG23 THR 26 HG23 THR 26 -4.733 2.017 -7.173 213 H SER 27 HN SER 27 -0.663 -0.702 -8.810 214 HA SER 27 HA SER 27 2.022 0.429 -8.619 215 HB2 SER 27 HB2 SER 27 2.708 -1.212 -10.244 216 HB3 SER 27 HB1 SER 27 1.863 -1.992 -8.913 217 HG SER 27 HG SER 27 0.587 -2.784 -10.320 218 H GLU 28 HN GLU 28 2.980 0.868 -10.992 219 HA GLU 28 HA GLU 28 1.906 3.256 -11.722 220 HB2 GLU 28 HB2 GLU 28 3.296 1.628 -13.824 221 HB3 GLU 28 HB1 GLU 28 3.390 3.358 -13.529 222 HG2 GLU 28 HG2 GLU 28 5.434 2.600 -12.800 223 HG3 GLU 28 HG1 GLU 28 4.505 2.668 -11.302 224 H LYS 29 HN LYS 29 0.779 0.177 -12.764 225 HA LYS 29 HA LYS 29 -0.548 1.255 -15.135 226 HB2 LYS 29 HB2 LYS 29 -0.519 -1.587 -14.092 227 HB3 LYS 29 HB1 LYS 29 -1.169 -1.051 -15.634 228 HG2 LYS 29 HG2 LYS 29 0.863 -1.885 -16.279 229 HG3 LYS 29 HG1 LYS 29 1.267 -0.186 -16.032 230 HD2 LYS 29 HD2 LYS 29 2.047 -0.764 -13.741 231 HD3 LYS 29 HD1 LYS 29 1.749 -2.463 -14.110 232 HE2 LYS 29 HE2 LYS 29 4.036 -2.186 -14.502 233 HE3 LYS 29 HE1 LYS 29 3.313 -2.112 -16.106 234 HZ1 LYS 29 HZ1 LYS 29 3.341 0.383 -15.811 235 HZ2 LYS 29 HZ2 LYS 29 4.851 -0.363 -16.007 236 HZ3 LYS 29 HZ3 LYS 29 4.346 0.123 -14.464 237 H GLY 30 HN GLY 30 -1.191 0.290 -11.844 238 HA2 GLY 30 HA2 GLY 30 -2.991 1.602 -10.771 239 HA3 GLY 30 HA1 GLY 30 -3.936 1.251 -12.202 240 H ARG 31 HN ARG 31 -2.004 -1.293 -11.816 241 HA ARG 31 HA ARG 31 -3.703 -3.029 -10.678 242 HB2 ARG 31 HB2 ARG 31 -0.704 -2.944 -10.674 243 HB3 ARG 31 HB1 ARG 31 -1.581 -4.297 -9.985 244 HG2 ARG 31 HG2 ARG 31 -2.599 -4.737 -12.180 245 HG3 ARG 31 HG1 ARG 31 -1.667 -3.393 -12.855 246 HD2 ARG 31 HD2 ARG 31 0.404 -4.489 -12.284 247 HD3 ARG 31 HD1 ARG 31 -0.467 -5.784 -11.470 248 HE ARG 31 HE ARG 31 -1.192 -5.507 -14.234 249 HH11 ARG 31 HH11 ARG 31 1.106 -6.898 -11.981 250 HH12 ARG 31 HH12 ARG 31 1.598 -8.164 -13.066 251 HH21 ARG 31 HH21 ARG 31 -0.544 -7.184 -15.669 252 HH22 ARG 31 HH22 ARG 31 0.640 -8.350 -15.145 253 H GLU 32 HN GLU 32 -3.227 -4.209 -8.460 254 HA GLU 32 HA GLU 32 -2.251 -4.293 -6.428 255 HB2 GLU 32 HB2 GLU 32 -1.119 -1.775 -7.296 256 HB3 GLU 32 HB1 GLU 32 -1.232 -2.009 -5.558 257 HG2 GLU 32 HG2 GLU 32 0.926 -2.719 -6.586 258 HG3 GLU 32 HG1 GLU 32 0.109 -3.951 -5.632 259 H LEU 33 HN LEU 33 -2.669 -1.634 -4.593 260 HA LEU 33 HA LEU 33 -4.434 -3.675 -3.497 261 HB2 LEU 33 HB2 LEU 33 -2.590 -1.692 -2.227 262 HB3 LEU 33 HB1 LEU 33 -3.761 -2.610 -1.312 263 HG LEU 33 HG LEU 33 -2.675 -4.709 -2.040 264 HD11 LEU 33 HD11 LEU 33 -1.672 -3.914 -4.133 265 HD12 LEU 33 HD12 LEU 33 -0.477 -4.654 -3.068 266 HD13 LEU 33 HD13 LEU 33 -0.564 -2.898 -3.208 267 HD21 LEU 33 HD21 LEU 33 -0.888 -2.705 -0.686 268 HD22 LEU 33 HD22 LEU 33 -0.691 -4.455 -0.634 269 HD23 LEU 33 HD23 LEU 33 -2.115 -3.705 0.087 270 H GLY 34 HN GLY 34 -4.291 -0.076 -3.720 271 HA2 GLY 34 HA2 GLY 34 -6.807 0.608 -3.855 272 HA3 GLY 34 HA1 GLY 34 -6.793 0.076 -2.178 273 H MET 35 HN MET 35 -7.237 2.095 -1.248 274 HA MET 35 HA MET 35 -5.069 4.125 -1.347 275 HB2 MET 35 HB2 MET 35 -8.001 4.768 -1.608 276 HB3 MET 35 HB1 MET 35 -6.622 5.860 -1.819 277 HG2 MET 35 HG2 MET 35 -6.091 5.040 -3.839 278 HG3 MET 35 HG1 MET 35 -6.673 3.413 -3.402 279 HE1 MET 35 HE1 MET 35 -8.800 4.403 -6.611 280 HE2 MET 35 HE2 MET 35 -7.713 3.204 -5.909 281 HE3 MET 35 HE3 MET 35 -7.116 4.821 -6.288 282 H VAL 36 HN VAL 36 -4.803 5.365 0.460 283 HA VAL 36 HA VAL 36 -5.756 4.234 2.892 284 HB VAL 36 HB VAL 36 -4.316 6.840 2.372 285 HG11 VAL 36 HG11 VAL 36 -5.036 5.590 5.020 286 HG12 VAL 36 HG12 VAL 36 -5.695 7.090 4.364 287 HG13 VAL 36 HG13 VAL 36 -3.987 6.990 4.795 288 HG21 VAL 36 HG21 VAL 36 -2.970 4.841 2.039 289 HG22 VAL 36 HG22 VAL 36 -3.399 4.277 3.654 290 HG23 VAL 36 HG23 VAL 36 -2.438 5.748 3.461 291 H ALA 37 HN ALA 37 -7.452 4.784 4.176 292 HA ALA 37 HA ALA 37 -8.948 7.190 3.450 293 HB1 ALA 37 HB1 ALA 37 -11.071 6.129 3.934 294 HB2 ALA 37 HB2 ALA 37 -10.256 4.596 4.250 295 HB3 ALA 37 HB3 ALA 37 -10.248 5.285 2.625 296 H ASP 38 HN ASP 38 -7.226 7.665 5.125 297 HA ASP 38 HA ASP 38 -8.185 8.154 7.643 298 HB2 ASP 38 HB2 ASP 38 -8.198 5.639 7.861 299 HB3 ASP 38 HB1 ASP 38 -6.456 5.656 7.638 300 H GLU 39 HN GLU 39 -5.753 7.881 9.133 301 HA GLU 39 HA GLU 39 -4.261 9.932 7.724 302 HB2 GLU 39 HB2 GLU 39 -3.110 10.266 9.912 303 HB3 GLU 39 HB1 GLU 39 -4.846 10.577 9.939 304 HG2 GLU 39 HG2 GLU 39 -5.146 8.273 10.864 305 HG3 GLU 39 HG1 GLU 39 -3.391 8.180 11.018 306 H GLY 40 HN GLY 40 -4.146 6.586 8.176 307 HA2 GLY 40 HA2 GLY 40 -1.809 6.474 6.511 308 HA3 GLY 40 HA1 GLY 40 -1.471 6.116 8.204 309 H LEU 41 HN LEU 41 -4.477 5.254 6.574 310 HA LEU 41 HA LEU 41 -3.719 2.445 6.704 311 HB2 LEU 41 HB2 LEU 41 -4.840 3.037 8.858 312 HB3 LEU 41 HB1 LEU 41 -6.246 3.507 7.933 313 HG LEU 41 HG LEU 41 -6.439 1.163 7.114 314 HD11 LEU 41 HD11 LEU 41 -4.108 0.491 7.446 315 HD12 LEU 41 HD12 LEU 41 -5.216 -0.585 8.297 316 HD13 LEU 41 HD13 LEU 41 -4.315 0.638 9.192 317 HD21 LEU 41 HD21 LEU 41 -7.803 1.961 8.955 318 HD22 LEU 41 HD22 LEU 41 -6.511 1.595 10.099 319 HD23 LEU 41 HD23 LEU 41 -7.322 0.286 9.235 320 H ALA 42 HN ALA 42 -4.406 1.420 4.911 321 HA ALA 42 HA ALA 42 -6.545 2.677 3.338 322 HB1 ALA 42 HB1 ALA 42 -4.295 1.154 2.013 323 HB2 ALA 42 HB2 ALA 42 -4.279 2.903 2.206 324 HB3 ALA 42 HB3 ALA 42 -5.547 2.146 1.223 325 H TRP 43 HN TRP 43 -8.201 1.376 2.906 326 HA TRP 43 HA TRP 43 -8.184 -1.311 3.991 327 HB2 TRP 43 HB2 TRP 43 -10.319 0.381 2.788 328 HB3 TRP 43 HB1 TRP 43 -10.586 -1.254 3.394 329 HD1 TRP 43 HD1 TRP 43 -9.610 2.228 4.668 330 HE1 TRP 43 HE1 TRP 43 -9.588 2.144 7.236 331 HE3 TRP 43 HE3 TRP 43 -10.596 -2.723 5.306 332 HZ2 TRP 43 HZ2 TRP 43 -9.881 0.219 9.166 333 HZ3 TRP 43 HZ3 TRP 43 -10.718 -3.614 7.598 334 HH2 TRP 43 HH2 TRP 43 -10.385 -2.147 9.521 335 H LEU 44 HN LEU 44 -7.558 -2.950 2.427 336 HA LEU 44 HA LEU 44 -7.622 -1.958 -0.315 337 HB2 LEU 44 HB2 LEU 44 -5.320 -3.490 0.872 338 HB3 LEU 44 HB1 LEU 44 -5.417 -2.768 -0.737 339 HG LEU 44 HG LEU 44 -5.418 -1.235 1.860 340 HD11 LEU 44 HD11 LEU 44 -3.251 -2.330 1.235 341 HD12 LEU 44 HD12 LEU 44 -3.218 -0.573 1.382 342 HD13 LEU 44 HD13 LEU 44 -3.255 -1.320 -0.213 343 HD21 LEU 44 HD21 LEU 44 -5.399 -0.341 -1.004 344 HD22 LEU 44 HD22 LEU 44 -5.151 0.709 0.389 345 HD23 LEU 44 HD23 LEU 44 -6.694 -0.117 0.173 346 H SER 45 HN SER 45 -6.709 -4.082 -1.638 347 HA SER 45 HA SER 45 -8.354 -6.291 -0.836 348 HB2 SER 45 HB2 SER 45 -9.348 -6.459 -3.168 349 HB3 SER 45 HB1 SER 45 -9.980 -5.143 -2.168 350 HG SER 45 HG SER 45 -7.796 -4.689 -3.893 351 H GLY 46 HN GLY 46 -6.194 -7.212 -0.506 352 HA2 GLY 46 HA2 GLY 46 -4.968 -9.037 -1.467 353 HA3 GLY 46 HA1 GLY 46 -5.449 -8.511 -3.076 354 H VAL 47 HN VAL 47 -2.807 -9.237 -2.045 355 HA VAL 47 HA VAL 47 -1.407 -6.735 -2.614 356 HB VAL 47 HB VAL 47 0.390 -7.195 -1.074 357 HG11 VAL 47 HG11 VAL 47 -1.454 -5.912 -0.182 358 HG12 VAL 47 HG12 VAL 47 -0.757 -6.929 1.080 359 HG13 VAL 47 HG13 VAL 47 -2.275 -7.392 0.312 360 HG21 VAL 47 HG21 VAL 47 -1.153 -9.656 -0.248 361 HG22 VAL 47 HG22 VAL 47 0.315 -9.056 0.526 362 HG23 VAL 47 HG23 VAL 47 0.368 -9.629 -1.141 363 H THR 48 HN THR 48 0.318 -7.033 -4.096 364 HA THR 48 HA THR 48 0.966 -9.788 -4.756 365 HB THR 48 HB THR 48 1.968 -7.350 -6.179 366 HG1 THR 48 HG1 THR 48 0.011 -7.040 -6.968 367 HG21 THR 48 HG21 THR 48 2.088 -8.875 -8.096 368 HG22 THR 48 HG22 THR 48 1.495 -10.183 -7.071 369 HG23 THR 48 HG23 THR 48 3.063 -9.445 -6.741 370 HA PRO 49 HA PRO 49 4.456 -9.308 -2.033 371 HB2 PRO 49 HB2 PRO 49 5.313 -11.867 -2.258 372 HB3 PRO 49 HB1 PRO 49 3.887 -11.417 -1.311 373 HG2 PRO 49 HG2 PRO 49 4.035 -12.521 -4.097 374 HG3 PRO 49 HG1 PRO 49 2.953 -12.984 -2.768 375 HD2 PRO 49 HD2 PRO 49 2.170 -11.314 -4.772 376 HD3 PRO 49 HD1 PRO 49 1.561 -11.172 -3.106 377 H GLY 50 HN GLY 50 6.385 -8.379 -2.599 378 HA2 GLY 50 HA2 GLY 50 8.639 -8.668 -3.321 379 HA3 GLY 50 HA1 GLY 50 8.093 -9.926 -4.433 380 H GLU 51 HN GLU 51 6.853 -6.592 -3.959 381 HA GLU 51 HA GLU 51 7.440 -6.164 -6.793 382 HB2 GLU 51 HB2 GLU 51 4.739 -5.844 -5.533 383 HB3 GLU 51 HB1 GLU 51 5.204 -4.970 -6.985 384 HG2 GLU 51 HG2 GLU 51 5.781 -7.771 -7.189 385 HG3 GLU 51 HG1 GLU 51 4.101 -7.440 -6.801 386 H THR 52 HN THR 52 6.770 -3.838 -7.360 387 HA THR 52 HA THR 52 7.021 -2.157 -5.011 388 HB THR 52 HB THR 52 8.014 -1.469 -7.781 389 HG1 THR 52 HG1 THR 52 9.276 -3.144 -6.893 390 HG21 THR 52 HG21 THR 52 8.502 -0.150 -5.104 391 HG22 THR 52 HG22 THR 52 7.453 0.474 -6.377 392 HG23 THR 52 HG23 THR 52 9.191 0.352 -6.651 393 H LEU 53 HN LEU 53 5.240 -1.203 -4.554 394 HA LEU 53 HA LEU 53 3.007 -0.807 -6.343 395 HB2 LEU 53 HB2 LEU 53 3.692 0.042 -3.541 396 HB3 LEU 53 HB1 LEU 53 2.298 0.689 -4.390 397 HG LEU 53 HG LEU 53 2.488 -2.241 -4.264 398 HD11 LEU 53 HD11 LEU 53 1.920 -0.521 -1.865 399 HD12 LEU 53 HD12 LEU 53 3.099 -1.832 -2.000 400 HD13 LEU 53 HD13 LEU 53 1.373 -2.190 -2.019 401 HD21 LEU 53 HD21 LEU 53 0.669 -1.151 -5.378 402 HD22 LEU 53 HD22 LEU 53 0.371 -0.130 -3.967 403 HD23 LEU 53 HD23 LEU 53 0.055 -1.869 -3.888 404 H SER 54 HN SER 54 2.107 1.262 -6.822 405 HA SER 54 HA SER 54 3.906 3.505 -6.457 406 HB2 SER 54 HB2 SER 54 1.648 3.240 -8.432 407 HB3 SER 54 HB1 SER 54 2.509 4.751 -8.122 408 HG SER 54 HG SER 54 3.966 2.448 -8.800 409 H VAL 55 HN VAL 55 3.072 5.333 -5.330 410 HA VAL 55 HA VAL 55 0.415 4.848 -4.172 411 HB VAL 55 HB VAL 55 2.778 5.981 -2.698 412 HG11 VAL 55 HG11 VAL 55 1.416 5.508 -0.706 413 HG12 VAL 55 HG12 VAL 55 0.086 5.029 -1.763 414 HG13 VAL 55 HG13 VAL 55 0.673 6.691 -1.782 415 HG21 VAL 55 HG21 VAL 55 1.728 3.164 -2.684 416 HG22 VAL 55 HG22 VAL 55 2.903 3.810 -1.539 417 HG23 VAL 55 HG23 VAL 55 3.313 3.704 -3.255 418 H ASN 56 HN ASN 56 -0.771 6.279 -5.237 419 HA ASN 56 HA ASN 56 0.217 8.959 -5.742 420 HB2 ASN 56 HB2 ASN 56 -0.904 8.443 -7.644 421 HB3 ASN 56 HB1 ASN 56 -1.892 7.223 -6.853 422 HD21 ASN 56 HD21 ASN 56 -3.901 7.703 -6.235 423 HD22 ASN 56 HD22 ASN 56 -4.662 9.237 -6.500 424 H TRP 57 HN TRP 57 -0.058 10.482 -4.416 425 HA TRP 57 HA TRP 57 -1.979 10.211 -2.276 426 HB2 TRP 57 HB2 TRP 57 -0.086 9.418 -1.235 427 HB3 TRP 57 HB1 TRP 57 0.973 10.422 -2.208 428 HD1 TRP 57 HD1 TRP 57 -1.564 12.523 -0.524 429 HE1 TRP 57 HE1 TRP 57 -0.512 13.756 1.441 430 HE3 TRP 57 HE3 TRP 57 2.728 9.795 -0.076 431 HZ2 TRP 57 HZ2 TRP 57 1.725 13.586 2.906 432 HZ3 TRP 57 HZ3 TRP 57 4.256 10.431 1.749 433 HH2 TRP 57 HH2 TRP 57 3.781 12.293 3.223 434 H ASP 58 HN ASP 58 -2.789 12.127 -1.398 435 HA ASP 58 HA ASP 58 -3.582 14.336 -2.361 436 HB2 ASP 58 HB2 ASP 58 -3.275 13.948 0.094 437 HB3 ASP 58 HB1 ASP 58 -1.638 14.560 -0.063 438 H GLY 59 HN GLY 59 -0.170 14.773 -1.171 439 HA2 GLY 59 HA2 GLY 59 0.268 16.961 -2.789 440 HA3 GLY 59 HA1 GLY 59 1.562 15.900 -2.246 441 H LYS 60 HN LYS 60 0.718 13.613 -3.810 442 HA LYS 60 HA LYS 60 0.782 13.903 -6.556 443 HB2 LYS 60 HB2 LYS 60 3.205 13.831 -6.999 444 HB3 LYS 60 HB1 LYS 60 2.759 15.333 -6.184 445 HG2 LYS 60 HG2 LYS 60 3.198 13.580 -4.109 446 HG3 LYS 60 HG1 LYS 60 4.467 13.170 -5.300 447 HD2 LYS 60 HD2 LYS 60 3.928 15.924 -4.174 448 HD3 LYS 60 HD1 LYS 60 5.304 14.892 -3.789 449 HE2 LYS 60 HE2 LYS 60 4.685 15.941 -6.548 450 HE3 LYS 60 HE1 LYS 60 5.807 16.708 -5.427 451 HZ1 LYS 60 HZ1 LYS 60 6.068 13.937 -6.469 452 HZ2 LYS 60 HZ2 LYS 60 7.171 14.737 -5.462 453 HZ3 LYS 60 HZ3 LYS 60 6.926 15.280 -7.046 454 H ILE 61 HN ILE 61 2.922 11.979 -7.042 455 HA ILE 61 HA ILE 61 1.739 9.759 -5.636 456 HB ILE 61 HB ILE 61 1.532 9.531 -8.112 457 HG12 ILE 61 HG12 ILE 61 2.344 7.719 -6.138 458 HG13 ILE 61 HG11 ILE 61 1.468 7.325 -7.613 459 HG21 ILE 61 HG21 ILE 61 4.522 9.250 -8.074 460 HG22 ILE 61 HG22 ILE 61 3.625 10.595 -8.785 461 HG23 ILE 61 HG23 ILE 61 3.467 8.973 -9.459 462 HD11 ILE 61 HD11 ILE 61 3.567 6.883 -8.748 463 HD12 ILE 61 HD12 ILE 61 3.495 5.960 -7.245 464 HD13 ILE 61 HD13 ILE 61 4.474 7.420 -7.335 465 H GLN 62 HN GLN 62 3.041 9.464 -3.876 466 HA GLN 62 HA GLN 62 5.587 10.901 -4.169 467 HB2 GLN 62 HB2 GLN 62 4.391 10.683 -1.490 468 HB3 GLN 62 HB1 GLN 62 5.319 11.977 -2.246 469 HG2 GLN 62 HG2 GLN 62 3.245 12.440 -3.613 470 HG3 GLN 62 HG1 GLN 62 2.404 11.420 -2.436 471 HE21 GLN 62 HE21 GLN 62 1.162 13.164 -1.814 472 HE22 GLN 62 HE22 GLN 62 1.768 14.418 -0.762 473 H CYS 63 HN CYS 63 3.873 8.251 -2.768 474 HA CYS 63 HA CYS 63 6.384 7.104 -1.797 475 HB2 CYS 63 HB2 CYS 63 3.513 6.666 -1.068 476 HB3 CYS 63 HB1 CYS 63 4.671 5.348 -0.872 477 H GLN 64 HN GLN 64 7.007 5.097 -2.548 478 HA GLN 64 HA GLN 64 5.061 3.685 -4.213 479 HB2 GLN 64 HB2 GLN 64 8.025 3.801 -4.796 480 HB3 GLN 64 HB1 GLN 64 6.844 2.759 -5.596 481 HG2 GLN 64 HG2 GLN 64 5.604 4.744 -6.279 482 HG3 GLN 64 HG1 GLN 64 6.885 5.731 -5.578 483 HE21 GLN 64 HE21 GLN 64 5.930 5.560 -8.351 484 HE22 GLN 64 HE22 GLN 64 7.311 5.154 -9.305 485 H VAL 65 HN VAL 65 5.343 1.247 -3.784 486 HA VAL 65 HA VAL 65 6.419 1.346 -1.134 487 HB VAL 65 HB VAL 65 3.919 -0.150 -1.850 488 HG11 VAL 65 HG11 VAL 65 5.324 -1.611 -0.480 489 HG12 VAL 65 HG12 VAL 65 3.914 -1.052 0.420 490 HG13 VAL 65 HG13 VAL 65 5.495 -0.323 0.715 491 HG21 VAL 65 HG21 VAL 65 2.987 1.143 -0.001 492 HG22 VAL 65 HG22 VAL 65 3.596 2.159 -1.307 493 HG23 VAL 65 HG23 VAL 65 4.538 1.962 0.171 494 H ASN 66 HN ASN 66 7.461 -0.570 -0.364 495 HA ASN 66 HA ASN 66 8.154 -2.260 -2.624 496 HB2 ASN 66 HB2 ASN 66 9.790 -1.375 -0.343 497 HB3 ASN 66 HB1 ASN 66 9.923 -3.093 -0.726 498 HD21 ASN 66 HD21 ASN 66 9.403 -2.637 -3.581 499 HD22 ASN 66 HD22 ASN 66 10.863 -1.973 -4.221 500 H VAL 67 HN VAL 67 7.099 -4.089 -2.697 501 HA VAL 67 HA VAL 67 5.743 -5.034 -0.283 502 HB VAL 67 HB VAL 67 5.363 -6.206 -3.011 503 HG11 VAL 67 HG11 VAL 67 3.611 -6.141 -0.555 504 HG12 VAL 67 HG12 VAL 67 4.610 -7.500 -1.072 505 HG13 VAL 67 HG13 VAL 67 3.255 -6.974 -2.070 506 HG21 VAL 67 HG21 VAL 67 4.850 -3.844 -3.227 507 HG22 VAL 67 HG22 VAL 67 3.824 -3.913 -1.796 508 HG23 VAL 67 HG23 VAL 67 3.361 -4.790 -3.255 509 HA PRO 68 HA PRO 68 9.108 -7.946 -0.123 510 HB2 PRO 68 HB2 PRO 68 8.059 -8.797 2.429 511 HB3 PRO 68 HB1 PRO 68 9.508 -7.846 2.104 512 HG2 PRO 68 HG2 PRO 68 7.291 -6.851 3.359 513 HG3 PRO 68 HG1 PRO 68 8.435 -5.858 2.436 514 HD2 PRO 68 HD2 PRO 68 5.765 -6.938 1.605 515 HD3 PRO 68 HD1 PRO 68 6.483 -5.341 1.297 516 H GLU 69 HN GLU 69 9.297 -10.241 -0.120 517 HA GLU 69 HA GLU 69 7.016 -11.642 -1.005 518 HB2 GLU 69 HB2 GLU 69 9.711 -12.746 -0.175 519 HB3 GLU 69 HB1 GLU 69 8.508 -13.571 -1.160 520 HG2 GLU 69 HG2 GLU 69 8.763 -11.896 -2.904 521 HG3 GLU 69 HG1 GLU 69 9.942 -11.033 -1.918 522 H THR 70 HN THR 70 8.125 -10.951 2.085 523 HA THR 70 HA THR 70 6.938 -13.239 3.355 524 HB THR 70 HB THR 70 7.471 -11.876 5.460 525 HG1 THR 70 HG1 THR 70 7.895 -9.845 5.003 526 HG21 THR 70 HG21 THR 70 8.925 -13.671 4.642 527 HG22 THR 70 HG22 THR 70 9.874 -12.338 5.297 528 HG23 THR 70 HG23 THR 70 9.721 -12.536 3.552 529 H ALA 71 HN ALA 71 5.546 -10.696 1.905 530 HA ALA 71 HA ALA 71 3.810 -9.740 4.026 531 HB1 ALA 71 HB1 ALA 71 3.783 -9.131 1.076 532 HB2 ALA 71 HB2 ALA 71 4.575 -8.163 2.319 533 HB3 ALA 71 HB3 ALA 71 2.818 -8.327 2.310 534 H ILE 72 HN ILE 72 1.409 -9.787 3.597 535 HA ILE 72 HA ILE 72 0.543 -12.194 2.343 536 HB ILE 72 HB ILE 72 1.390 -12.957 4.572 537 HG12 ILE 72 HG12 ILE 72 -0.633 -14.291 5.137 538 HG13 ILE 72 HG11 ILE 72 -1.578 -13.272 4.057 539 HG21 ILE 72 HG21 ILE 72 -0.927 -11.355 5.644 540 HG22 ILE 72 HG22 ILE 72 0.780 -10.981 5.866 541 HG23 ILE 72 HG23 ILE 72 0.102 -12.446 6.574 542 HD11 ILE 72 HD11 ILE 72 -0.204 -14.015 2.173 543 HD12 ILE 72 HD12 ILE 72 -1.004 -15.359 2.986 544 HD13 ILE 72 HD13 ILE 72 0.711 -15.057 3.263 545 H SER 73 HN SER 73 -1.674 -12.210 1.981 546 HA SER 73 HA SER 73 -3.048 -9.693 2.330 547 HB2 SER 73 HB2 SER 73 -3.970 -12.287 1.076 548 HB3 SER 73 HB1 SER 73 -4.758 -10.716 0.924 549 HG SER 73 HG SER 73 -2.096 -11.262 0.090 550 H ASP 74 HN ASP 74 -5.477 -9.826 3.024 551 HA ASP 74 HA ASP 74 -7.014 -10.240 4.631 552 HB2 ASP 74 HB2 ASP 74 -6.536 -12.692 4.007 553 HB3 ASP 74 HB1 ASP 74 -5.517 -12.734 5.441 554 H GLN 75 HN GLN 75 -7.241 -9.920 6.929 555 HA GLN 75 HA GLN 75 -6.695 -8.726 8.775 556 HB2 GLN 75 HB2 GLN 75 -4.166 -10.333 8.447 557 HB3 GLN 75 HB1 GLN 75 -4.445 -9.267 9.816 558 HG2 GLN 75 HG2 GLN 75 -5.089 -11.311 10.643 559 HG3 GLN 75 HG1 GLN 75 -6.624 -10.615 10.128 560 HE21 GLN 75 HE21 GLN 75 -7.656 -12.542 9.835 561 HE22 GLN 75 HE22 GLN 75 -7.256 -13.641 8.545 562 H GLN 76 HN GLN 76 -4.195 -7.699 9.632 563 HA GLN 76 HA GLN 76 -4.159 -5.337 7.899 564 HB2 GLN 76 HB2 GLN 76 -3.095 -4.200 9.851 565 HB3 GLN 76 HB1 GLN 76 -4.721 -4.787 10.169 566 HG2 GLN 76 HG2 GLN 76 -3.687 -6.795 11.243 567 HG3 GLN 76 HG1 GLN 76 -2.127 -5.994 11.091 568 HE21 GLN 76 HE21 GLN 76 -3.355 -3.353 11.575 569 HE22 GLN 76 HE22 GLN 76 -3.669 -3.295 13.285 570 H LEU 77 HN LEU 77 -2.073 -4.393 7.348 571 HA LEU 77 HA LEU 77 0.166 -6.174 7.471 572 HB2 LEU 77 HB2 LEU 77 -1.066 -7.083 5.524 573 HB3 LEU 77 HB1 LEU 77 -1.057 -5.493 4.787 574 HG LEU 77 HG LEU 77 1.466 -5.619 4.799 575 HD11 LEU 77 HD11 LEU 77 1.751 -7.340 6.475 576 HD12 LEU 77 HD12 LEU 77 2.451 -7.862 4.944 577 HD13 LEU 77 HD13 LEU 77 0.891 -8.500 5.463 578 HD21 LEU 77 HD21 LEU 77 -0.039 -7.686 3.200 579 HD22 LEU 77 HD22 LEU 77 1.559 -7.046 2.817 580 HD23 LEU 77 HD23 LEU 77 0.152 -5.984 2.780 581 H LEU 78 HN LEU 78 1.936 -4.839 7.649 582 HA LEU 78 HA LEU 78 1.345 -2.004 7.260 583 HB2 LEU 78 HB2 LEU 78 3.576 -3.338 8.814 584 HB3 LEU 78 HB1 LEU 78 3.484 -1.605 8.518 585 HG LEU 78 HG LEU 78 1.200 -1.720 9.699 586 HD11 LEU 78 HD11 LEU 78 0.907 -4.117 9.703 587 HD12 LEU 78 HD12 LEU 78 0.989 -3.511 11.359 588 HD13 LEU 78 HD13 LEU 78 2.384 -4.320 10.645 589 HD21 LEU 78 HD21 LEU 78 3.732 -2.192 11.259 590 HD22 LEU 78 HD22 LEU 78 2.245 -1.484 11.890 591 HD23 LEU 78 HD23 LEU 78 3.163 -0.640 10.642 592 H LEU 79 HN LEU 79 2.451 -0.876 5.699 593 HA LEU 79 HA LEU 79 4.240 -2.498 4.026 594 HB2 LEU 79 HB2 LEU 79 2.154 -0.510 3.155 595 HB3 LEU 79 HB1 LEU 79 3.416 -1.109 2.097 596 HG LEU 79 HG LEU 79 1.284 -2.797 3.411 597 HD11 LEU 79 HD11 LEU 79 1.638 -1.934 0.543 598 HD12 LEU 79 HD12 LEU 79 0.387 -1.375 1.654 599 HD13 LEU 79 HD13 LEU 79 0.417 -3.061 1.139 600 HD21 LEU 79 HD21 LEU 79 2.139 -4.604 2.017 601 HD22 LEU 79 HD22 LEU 79 3.387 -4.009 3.113 602 HD23 LEU 79 HD23 LEU 79 3.415 -3.545 1.411 603 HA PRO 80 HA PRO 80 7.049 0.874 4.665 604 HB2 PRO 80 HB2 PRO 80 9.139 -0.215 3.375 605 HB3 PRO 80 HB1 PRO 80 8.597 -0.801 4.951 606 HG2 PRO 80 HG2 PRO 80 8.208 -1.978 2.251 607 HG3 PRO 80 HG1 PRO 80 8.421 -2.787 3.814 608 HD2 PRO 80 HD2 PRO 80 5.991 -2.369 2.485 609 HD3 PRO 80 HD1 PRO 80 6.184 -2.834 4.186 610 H CYS 81 HN CYS 81 6.741 2.671 3.600 611 HA CYS 81 HA CYS 81 6.503 2.782 0.710 612 HB2 CYS 81 HB2 CYS 81 5.066 4.360 1.569 613 HB3 CYS 81 HB1 CYS 81 6.086 4.672 2.976 614 H THR 82 HN THR 82 8.183 3.087 -0.582 615 HA THR 82 HA THR 82 10.657 4.163 0.574 616 HB THR 82 HB THR 82 11.783 3.428 -1.513 617 HG1 THR 82 HG1 THR 82 9.181 2.783 -2.193 618 HG21 THR 82 HG21 THR 82 11.808 1.032 -1.008 619 HG22 THR 82 HG22 THR 82 10.352 1.222 -0.029 620 HG23 THR 82 HG23 THR 82 11.856 2.002 0.465 621 HA PRO 83 HA PRO 83 9.440 7.923 -1.446 622 HB2 PRO 83 HB2 PRO 83 12.188 8.823 -1.021 623 HB3 PRO 83 HB1 PRO 83 10.696 9.429 -0.302 624 HG2 PRO 83 HG2 PRO 83 12.550 8.065 1.121 625 HG3 PRO 83 HG1 PRO 83 10.817 7.997 1.486 626 HD2 PRO 83 HD2 PRO 83 12.528 6.019 0.030 627 HD3 PRO 83 HD1 PRO 83 11.228 5.734 1.207 628 H GLN 84 HN GLN 84 9.244 7.685 -3.603 629 HA GLN 84 HA GLN 84 11.326 6.789 -5.271 630 HB2 GLN 84 HB2 GLN 84 9.756 7.497 -7.135 631 HB3 GLN 84 HB1 GLN 84 9.114 6.337 -5.972 632 HG2 GLN 84 HG2 GLN 84 7.352 7.778 -6.209 633 HG3 GLN 84 HG1 GLN 84 8.160 8.458 -4.801 634 HE21 GLN 84 HE21 GLN 84 9.277 8.767 -8.111 635 HE22 GLN 84 HE22 GLN 84 9.009 10.483 -8.239 636 H LYS 85 HN LYS 85 11.957 9.235 -3.734 637 HA LYS 85 HA LYS 85 12.248 11.258 -5.845 638 HB2 LYS 85 HB2 LYS 85 12.651 11.661 -2.877 639 HB3 LYS 85 HB1 LYS 85 12.533 12.900 -4.121 640 HG2 LYS 85 HG2 LYS 85 10.200 12.437 -4.442 641 HG3 LYS 85 HG1 LYS 85 10.284 11.043 -3.365 642 HD2 LYS 85 HD2 LYS 85 10.958 12.616 -1.535 643 HD3 LYS 85 HD1 LYS 85 10.608 13.948 -2.639 644 HE2 LYS 85 HE2 LYS 85 8.299 13.204 -2.832 645 HE3 LYS 85 HE1 LYS 85 8.641 11.828 -1.784 646 HZ1 LYS 85 HZ1 LYS 85 8.654 14.703 -1.045 647 HZ2 LYS 85 HZ2 LYS 85 9.239 13.470 -0.031 648 HZ3 LYS 85 HZ3 LYS 85 7.607 13.491 -0.480 Start of MODEL 5 1 H1 VAL 1 HT1 VAL 1 -4.688 -20.272 -4.669 2 H2 VAL 1 HT2 VAL 1 -4.176 -21.877 -4.808 3 H3 VAL 1 HT3 VAL 1 -3.061 -20.618 -4.999 4 HA VAL 1 HA VAL 1 -4.540 -21.262 -2.520 5 HB VAL 1 HB VAL 1 -2.278 -21.853 -1.600 6 HG11 VAL 1 HG11 VAL 1 -2.279 -24.110 -2.546 7 HG12 VAL 1 HG12 VAL 1 -3.329 -23.560 -3.851 8 HG13 VAL 1 HG13 VAL 1 -3.913 -23.554 -2.187 9 HG21 VAL 1 HG21 VAL 1 -1.497 -21.921 -4.514 10 HG22 VAL 1 HG22 VAL 1 -0.520 -22.502 -3.164 11 HG23 VAL 1 HG23 VAL 1 -0.894 -20.784 -3.310 12 H LEU 2 HN LEU 2 -2.182 -19.118 -4.124 13 HA LEU 2 HA LEU 2 -2.375 -17.453 -1.730 14 HB2 LEU 2 HB2 LEU 2 -0.218 -16.519 -2.019 15 HB3 LEU 2 HB1 LEU 2 -0.046 -18.252 -2.014 16 HG LEU 2 HG LEU 2 1.494 -17.455 -3.587 17 HD11 LEU 2 HD11 LEU 2 0.772 -18.337 -5.728 18 HD12 LEU 2 HD12 LEU 2 -0.899 -18.349 -5.165 19 HD13 LEU 2 HD13 LEU 2 0.300 -19.389 -4.394 20 HD21 LEU 2 HD21 LEU 2 -0.679 -15.792 -4.844 21 HD22 LEU 2 HD22 LEU 2 0.993 -15.916 -5.395 22 HD23 LEU 2 HD23 LEU 2 0.633 -15.193 -3.827 23 H LYS 3 HN LYS 3 -2.670 -15.257 -2.048 24 HA LYS 3 HA LYS 3 -3.006 -14.032 -4.548 25 HB2 LYS 3 HB2 LYS 3 -5.404 -13.905 -4.751 26 HB3 LYS 3 HB1 LYS 3 -4.993 -15.610 -4.609 27 HG2 LYS 3 HG2 LYS 3 -5.685 -15.669 -2.328 28 HG3 LYS 3 HG1 LYS 3 -5.861 -13.915 -2.279 29 HD2 LYS 3 HD2 LYS 3 -8.046 -14.810 -2.450 30 HD3 LYS 3 HD1 LYS 3 -7.645 -14.163 -4.041 31 HE2 LYS 3 HE2 LYS 3 -7.186 -16.354 -4.884 32 HE3 LYS 3 HE1 LYS 3 -7.334 -17.060 -3.274 33 HZ1 LYS 3 HZ1 LYS 3 -9.489 -15.896 -4.948 34 HZ2 LYS 3 HZ2 LYS 3 -9.692 -16.247 -3.302 35 HZ3 LYS 3 HZ3 LYS 3 -9.343 -17.493 -4.398 36 H GLY 4 HN GLY 4 -4.625 -12.009 -4.089 37 HA2 GLY 4 HA2 GLY 4 -4.418 -11.315 -1.268 38 HA3 GLY 4 HA1 GLY 4 -3.952 -10.069 -2.416 39 H LYS 5 HN LYS 5 -6.246 -10.948 -0.538 40 HA LYS 5 HA LYS 5 -8.239 -9.593 -2.167 41 HB2 LYS 5 HB2 LYS 5 -8.944 -11.297 -0.357 42 HB3 LYS 5 HB1 LYS 5 -8.365 -10.122 0.814 43 HG2 LYS 5 HG2 LYS 5 -9.975 -8.497 0.027 44 HG3 LYS 5 HG1 LYS 5 -10.524 -9.615 -1.223 45 HD2 LYS 5 HD2 LYS 5 -10.696 -10.079 1.753 46 HD3 LYS 5 HD1 LYS 5 -12.034 -9.586 0.713 47 HE2 LYS 5 HE2 LYS 5 -11.840 -11.665 -0.544 48 HE3 LYS 5 HE1 LYS 5 -10.464 -12.150 0.446 49 HZ1 LYS 5 HZ1 LYS 5 -12.496 -13.215 1.176 50 HZ2 LYS 5 HZ2 LYS 5 -13.236 -11.707 1.428 51 HZ3 LYS 5 HZ3 LYS 5 -11.910 -12.175 2.378 52 H ARG 6 HN ARG 6 -8.504 -7.304 -1.422 53 HA ARG 6 HA ARG 6 -6.629 -5.769 -0.842 54 HB2 ARG 6 HB2 ARG 6 -9.414 -5.599 0.230 55 HB3 ARG 6 HB1 ARG 6 -8.234 -4.404 0.742 56 HG2 ARG 6 HG2 ARG 6 -9.552 -3.580 -1.105 57 HG3 ARG 6 HG1 ARG 6 -7.861 -3.750 -1.564 58 HD2 ARG 6 HD2 ARG 6 -8.283 -5.563 -2.935 59 HD3 ARG 6 HD1 ARG 6 -9.815 -5.930 -2.141 60 HE ARG 6 HE ARG 6 -9.397 -4.172 -4.348 61 HH11 ARG 6 HH11 ARG 6 -11.389 -4.616 -1.482 62 HH12 ARG 6 HH12 ARG 6 -12.722 -3.708 -2.119 63 HH21 ARG 6 HH21 ARG 6 -11.194 -3.006 -5.188 64 HH22 ARG 6 HH22 ARG 6 -12.624 -2.822 -4.211 65 H LEU 7 HN LEU 7 -5.827 -4.553 1.269 66 HA LEU 7 HA LEU 7 -5.400 -6.843 2.962 67 HB2 LEU 7 HB2 LEU 7 -3.237 -5.122 1.899 68 HB3 LEU 7 HB1 LEU 7 -3.033 -6.101 3.356 69 HG LEU 7 HG LEU 7 -3.670 -6.984 0.604 70 HD11 LEU 7 HD11 LEU 7 -1.592 -7.904 2.585 71 HD12 LEU 7 HD12 LEU 7 -1.289 -6.881 1.180 72 HD13 LEU 7 HD13 LEU 7 -1.817 -8.551 0.959 73 HD21 LEU 7 HD21 LEU 7 -5.303 -7.826 2.159 74 HD22 LEU 7 HD22 LEU 7 -3.989 -8.585 3.087 75 HD23 LEU 7 HD23 LEU 7 -4.308 -9.105 1.429 76 H PHE 8 HN PHE 8 -4.068 -6.169 4.898 77 HA PHE 8 HA PHE 8 -5.554 -3.961 6.178 78 HB2 PHE 8 HB2 PHE 8 -5.374 -6.222 7.371 79 HB3 PHE 8 HB1 PHE 8 -3.648 -5.907 7.509 80 HD1 PHE 8 HD2 PHE 8 -2.866 -3.984 8.911 81 HD2 PHE 8 HD1 PHE 8 -6.928 -5.254 8.833 82 HE1 PHE 8 HE2 PHE 8 -3.271 -2.801 11.028 83 HE2 PHE 8 HE1 PHE 8 -7.338 -4.074 10.955 84 HZ PHE 8 HZ PHE 8 -5.508 -2.848 12.055 85 H ALA 9 HN ALA 9 -4.484 -2.325 5.035 86 HA ALA 9 HA ALA 9 -1.580 -2.505 4.873 87 HB1 ALA 9 HB1 ALA 9 -3.447 -0.655 3.404 88 HB2 ALA 9 HB2 ALA 9 -2.861 -2.204 2.801 89 HB3 ALA 9 HB3 ALA 9 -1.727 -0.885 3.090 90 H ILE 10 HN ILE 10 -0.539 -1.637 6.419 91 HA ILE 10 HA ILE 10 -1.323 0.985 7.496 92 HB ILE 10 HB ILE 10 0.818 -0.872 8.568 93 HG12 ILE 10 HG12 ILE 10 -1.994 -0.440 9.612 94 HG13 ILE 10 HG11 ILE 10 -1.432 -1.885 8.781 95 HG21 ILE 10 HG21 ILE 10 0.700 0.574 10.556 96 HG22 ILE 10 HG22 ILE 10 -0.476 1.595 9.728 97 HG23 ILE 10 HG23 ILE 10 1.171 1.467 9.109 98 HD11 ILE 10 HD11 ILE 10 -1.510 -2.242 11.169 99 HD12 ILE 10 HD12 ILE 10 -0.447 -0.859 11.431 100 HD13 ILE 10 HD13 ILE 10 0.158 -2.291 10.599 101 H LEU 11 HN LEU 11 -0.295 2.578 6.237 102 HA LEU 11 HA LEU 11 2.087 1.721 4.795 103 HB2 LEU 11 HB2 LEU 11 0.189 3.951 4.060 104 HB3 LEU 11 HB1 LEU 11 1.628 3.481 3.179 105 HG LEU 11 HG LEU 11 -0.903 1.867 3.461 106 HD11 LEU 11 HD11 LEU 11 -1.053 2.234 1.043 107 HD12 LEU 11 HD12 LEU 11 0.385 3.253 1.118 108 HD13 LEU 11 HD13 LEU 11 -1.092 3.749 1.943 109 HD21 LEU 11 HD21 LEU 11 1.025 0.393 3.441 110 HD22 LEU 11 HD22 LEU 11 1.668 1.226 2.025 111 HD23 LEU 11 HD23 LEU 11 0.168 0.307 1.902 112 H ARG 12 HN ARG 12 3.887 2.928 5.314 113 HA ARG 12 HA ARG 12 3.435 5.716 6.081 114 HB2 ARG 12 HB2 ARG 12 3.437 4.255 8.111 115 HB3 ARG 12 HB1 ARG 12 5.103 3.852 7.751 116 HG2 ARG 12 HG2 ARG 12 5.863 5.987 8.203 117 HG3 ARG 12 HG1 ARG 12 4.255 6.690 8.030 118 HD2 ARG 12 HD2 ARG 12 3.588 5.375 10.068 119 HD3 ARG 12 HD1 ARG 12 5.299 4.995 10.282 120 HE ARG 12 HE ARG 12 5.515 7.574 10.204 121 HH11 ARG 12 HH11 ARG 12 2.974 5.736 11.773 122 HH12 ARG 12 HH12 ARG 12 2.557 7.023 12.870 123 HH21 ARG 12 HH21 ARG 12 4.981 9.244 11.628 124 HH22 ARG 12 HH22 ARG 12 3.691 9.029 12.778 125 H LEU 13 HN LEU 13 5.247 7.112 5.927 126 HA LEU 13 HA LEU 13 7.040 6.526 3.777 127 HB2 LEU 13 HB2 LEU 13 6.475 8.877 5.531 128 HB3 LEU 13 HB1 LEU 13 8.013 8.782 4.707 129 HG LEU 13 HG LEU 13 6.449 10.213 3.532 130 HD11 LEU 13 HD11 LEU 13 6.648 9.210 1.308 131 HD12 LEU 13 HD12 LEU 13 7.071 7.672 2.058 132 HD13 LEU 13 HD13 LEU 13 8.132 9.067 2.249 133 HD21 LEU 13 HD21 LEU 13 4.498 9.232 2.337 134 HD22 LEU 13 HD22 LEU 13 4.296 9.309 4.089 135 HD23 LEU 13 HD23 LEU 13 4.703 7.774 3.305 136 H ALA 14 HN ALA 14 9.012 5.995 4.054 137 HA ALA 14 HA ALA 14 10.059 4.850 6.295 138 HB1 ALA 14 HB1 ALA 14 11.620 6.069 4.020 139 HB2 ALA 14 HB2 ALA 14 10.967 4.432 4.084 140 HB3 ALA 14 HB3 ALA 14 12.252 4.912 5.191 141 H ASP 15 HN ASP 15 10.368 8.202 5.275 142 HA ASP 15 HA ASP 15 12.174 9.014 7.213 143 HB2 ASP 15 HB2 ASP 15 9.993 10.626 5.866 144 HB3 ASP 15 HB1 ASP 15 11.354 11.312 6.757 145 H GLY 16 HN GLY 16 9.056 7.935 7.764 146 HA2 GLY 16 HA2 GLY 16 8.126 7.935 9.921 147 HA3 GLY 16 HA1 GLY 16 8.870 9.507 10.222 148 H SER 17 HN SER 17 7.795 10.050 7.339 149 HA SER 17 HA SER 17 5.347 11.333 8.182 150 HB2 SER 17 HB2 SER 17 6.970 12.354 6.536 151 HB3 SER 17 HB1 SER 17 6.484 11.106 5.383 152 HG SER 17 HG SER 17 4.842 13.108 6.569 153 H GLN 18 HN GLN 18 3.829 10.871 5.725 154 HA GLN 18 HA GLN 18 3.205 8.051 5.979 155 HB2 GLN 18 HB2 GLN 18 1.614 10.149 7.237 156 HB3 GLN 18 HB1 GLN 18 0.737 9.036 6.174 157 HG2 GLN 18 HG2 GLN 18 2.603 7.680 7.962 158 HG3 GLN 18 HG1 GLN 18 1.404 8.605 8.847 159 HE21 GLN 18 HE21 GLN 18 0.390 6.785 9.647 160 HE22 GLN 18 HE22 GLN 18 -0.545 5.727 8.641 161 HA PRO 19 HA PRO 19 0.984 8.955 2.173 162 HB2 PRO 19 HB2 PRO 19 0.196 6.224 2.008 163 HB3 PRO 19 HB1 PRO 19 1.445 7.020 1.049 164 HG2 PRO 19 HG2 PRO 19 1.870 5.020 2.945 165 HG3 PRO 19 HG1 PRO 19 3.107 6.097 2.276 166 HD2 PRO 19 HD2 PRO 19 1.679 6.236 4.884 167 HD3 PRO 19 HD1 PRO 19 3.337 6.725 4.471 168 HA PRO 20 HA PRO 20 -2.390 8.794 5.099 169 HB2 PRO 20 HB2 PRO 20 -2.541 11.373 5.401 170 HB3 PRO 20 HB1 PRO 20 -0.979 10.618 5.683 171 HG2 PRO 20 HG2 PRO 20 -1.929 12.152 3.300 172 HG3 PRO 20 HG1 PRO 20 -0.360 12.212 4.132 173 HD2 PRO 20 HD2 PRO 20 -1.061 10.592 1.900 174 HD3 PRO 20 HD1 PRO 20 0.446 10.536 2.844 175 H PHE 21 HN PHE 21 -4.543 10.465 4.985 176 HA PHE 21 HA PHE 21 -6.367 9.047 3.707 177 HB2 PHE 21 HB2 PHE 21 -6.852 10.971 5.148 178 HB3 PHE 21 HB1 PHE 21 -6.516 12.021 3.792 179 HD1 PHE 21 HD1 PHE 21 -8.768 9.330 4.939 180 HD2 PHE 21 HD2 PHE 21 -8.185 12.564 2.237 181 HE1 PHE 21 HE1 PHE 21 -11.120 9.158 4.232 182 HE2 PHE 21 HE2 PHE 21 -10.533 12.396 1.521 183 HZ PHE 21 HZ PHE 21 -12.003 10.691 2.519 184 H GLY 22 HN GLY 22 -6.050 8.156 1.743 185 HA2 GLY 22 HA2 GLY 22 -7.149 8.389 -0.451 186 HA3 GLY 22 HA1 GLY 22 -6.330 9.932 -0.569 187 H ALA 23 HN ALA 23 -4.292 7.992 1.096 188 HA ALA 23 HA ALA 23 -2.472 7.674 -0.769 189 HB1 ALA 23 HB1 ALA 23 -2.804 5.651 1.375 190 HB2 ALA 23 HB2 ALA 23 -2.104 7.255 1.607 191 HB3 ALA 23 HB3 ALA 23 -1.313 6.091 0.543 192 H SER 24 HN SER 24 -3.536 7.085 -2.707 193 HA SER 24 HA SER 24 -4.567 4.611 -3.322 194 HB2 SER 24 HB2 SER 24 -4.032 5.098 -5.618 195 HB3 SER 24 HB1 SER 24 -4.228 6.678 -4.863 196 HG SER 24 HG SER 24 -1.741 5.375 -5.086 197 H VAL 25 HN VAL 25 -3.595 2.499 -3.061 198 HA VAL 25 HA VAL 25 -0.808 2.563 -3.876 199 HB VAL 25 HB VAL 25 -0.424 0.427 -2.902 200 HG11 VAL 25 HG11 VAL 25 -0.197 2.389 -1.495 201 HG12 VAL 25 HG12 VAL 25 -0.702 0.991 -0.554 202 HG13 VAL 25 HG13 VAL 25 -1.877 2.229 -0.998 203 HG21 VAL 25 HG21 VAL 25 -1.934 -1.077 -2.494 204 HG22 VAL 25 HG22 VAL 25 -3.189 0.053 -2.990 205 HG23 VAL 25 HG23 VAL 25 -2.678 -0.016 -1.294 206 H THR 26 HN THR 26 -0.224 2.083 -5.833 207 HA THR 26 HA THR 26 -1.821 0.125 -7.331 208 HB THR 26 HB THR 26 -2.954 2.040 -8.063 209 HG1 THR 26 HG1 THR 26 -2.364 2.222 -10.216 210 HG21 THR 26 HG21 THR 26 -0.309 3.459 -8.353 211 HG22 THR 26 HG22 THR 26 -1.489 3.733 -7.072 212 HG23 THR 26 HG23 THR 26 -1.890 4.132 -8.742 213 H SER 27 HN SER 27 -0.506 -1.185 -8.612 214 HA SER 27 HA SER 27 2.343 -0.726 -8.061 215 HB2 SER 27 HB2 SER 27 2.746 -2.989 -8.514 216 HB3 SER 27 HB1 SER 27 1.191 -2.984 -7.681 217 HG SER 27 HG SER 27 0.903 -4.274 -9.409 218 H GLU 28 HN GLU 28 3.516 -2.039 -10.184 219 HA GLU 28 HA GLU 28 4.351 -0.045 -11.755 220 HB2 GLU 28 HB2 GLU 28 3.924 -2.852 -12.769 221 HB3 GLU 28 HB1 GLU 28 5.061 -1.679 -13.411 222 HG2 GLU 28 HG2 GLU 28 5.173 -2.771 -10.612 223 HG3 GLU 28 HG1 GLU 28 6.062 -3.449 -11.972 224 H LYS 29 HN LYS 29 1.982 -2.355 -13.148 225 HA LYS 29 HA LYS 29 1.404 -0.630 -15.284 226 HB2 LYS 29 HB2 LYS 29 1.122 -3.138 -15.262 227 HB3 LYS 29 HB1 LYS 29 -0.358 -2.895 -14.342 228 HG2 LYS 29 HG2 LYS 29 -0.662 -1.198 -16.492 229 HG3 LYS 29 HG1 LYS 29 0.135 -2.606 -17.189 230 HD2 LYS 29 HD2 LYS 29 -2.378 -2.671 -15.525 231 HD3 LYS 29 HD1 LYS 29 -2.319 -2.763 -17.284 232 HE2 LYS 29 HE2 LYS 29 -0.951 -4.815 -17.084 233 HE3 LYS 29 HE1 LYS 29 -1.141 -4.733 -15.333 234 HZ1 LYS 29 HZ1 LYS 29 -2.747 -6.242 -16.204 235 HZ2 LYS 29 HZ2 LYS 29 -3.292 -5.112 -17.344 236 HZ3 LYS 29 HZ3 LYS 29 -3.575 -4.855 -15.691 237 H GLY 30 HN GLY 30 -0.045 -0.933 -12.145 238 HA2 GLY 30 HA2 GLY 30 -1.367 1.065 -11.459 239 HA3 GLY 30 HA1 GLY 30 -2.240 0.813 -12.968 240 H ARG 31 HN ARG 31 -0.942 -1.399 -10.580 241 HA ARG 31 HA ARG 31 -3.380 -2.944 -10.607 242 HB2 ARG 31 HB2 ARG 31 -0.822 -3.687 -10.006 243 HB3 ARG 31 HB1 ARG 31 -1.437 -3.297 -8.404 244 HG2 ARG 31 HG2 ARG 31 -1.841 -5.575 -8.627 245 HG3 ARG 31 HG1 ARG 31 -3.402 -4.819 -8.946 246 HD2 ARG 31 HD2 ARG 31 -3.247 -6.382 -10.643 247 HD3 ARG 31 HD1 ARG 31 -2.671 -4.911 -11.425 248 HE ARG 31 HE ARG 31 -0.560 -6.474 -10.261 249 HH11 ARG 31 HH11 ARG 31 -2.515 -5.964 -13.121 250 HH12 ARG 31 HH12 ARG 31 -1.474 -6.899 -14.153 251 HH21 ARG 31 HH21 ARG 31 0.828 -7.662 -11.608 252 HH22 ARG 31 HH22 ARG 31 0.450 -7.838 -13.299 253 H GLU 32 HN GLU 32 -4.903 -1.447 -9.881 254 HA GLU 32 HA GLU 32 -4.295 0.150 -7.619 255 HB2 GLU 32 HB2 GLU 32 -7.086 -0.045 -8.640 256 HB3 GLU 32 HB1 GLU 32 -6.145 1.376 -8.212 257 HG2 GLU 32 HG2 GLU 32 -4.771 0.936 -10.307 258 HG3 GLU 32 HG1 GLU 32 -6.017 -0.242 -10.733 259 H LEU 33 HN LEU 33 -4.211 -0.741 -5.721 260 HA LEU 33 HA LEU 33 -6.400 -2.527 -4.860 261 HB2 LEU 33 HB2 LEU 33 -4.580 -3.408 -3.307 262 HB3 LEU 33 HB1 LEU 33 -4.671 -3.897 -4.964 263 HG LEU 33 HG LEU 33 -2.865 -1.651 -4.577 264 HD11 LEU 33 HD11 LEU 33 -2.531 -2.798 -2.432 265 HD12 LEU 33 HD12 LEU 33 -1.121 -2.954 -3.482 266 HD13 LEU 33 HD13 LEU 33 -2.235 -4.309 -3.292 267 HD21 LEU 33 HD21 LEU 33 -3.026 -2.969 -6.638 268 HD22 LEU 33 HD22 LEU 33 -2.535 -4.412 -5.752 269 HD23 LEU 33 HD23 LEU 33 -1.412 -3.064 -5.934 270 H GLY 34 HN GLY 34 -4.590 0.299 -4.093 271 HA2 GLY 34 HA2 GLY 34 -5.864 0.300 -1.420 272 HA3 GLY 34 HA1 GLY 34 -4.194 0.724 -1.672 273 H MET 35 HN MET 35 -6.290 2.090 -0.312 274 HA MET 35 HA MET 35 -5.582 4.761 -1.102 275 HB2 MET 35 HB2 MET 35 -8.531 4.331 -0.745 276 HB3 MET 35 HB1 MET 35 -7.675 5.695 -1.468 277 HG2 MET 35 HG2 MET 35 -7.317 4.574 -3.451 278 HG3 MET 35 HG1 MET 35 -7.697 2.993 -2.711 279 HE1 MET 35 HE1 MET 35 -8.904 3.903 -5.519 280 HE2 MET 35 HE2 MET 35 -10.594 3.431 -5.337 281 HE3 MET 35 HE3 MET 35 -9.315 2.374 -4.739 282 H VAL 36 HN VAL 36 -4.849 5.276 0.946 283 HA VAL 36 HA VAL 36 -5.984 3.827 3.183 284 HB VAL 36 HB VAL 36 -4.448 4.886 4.591 285 HG11 VAL 36 HG11 VAL 36 -3.468 3.190 3.254 286 HG12 VAL 36 HG12 VAL 36 -2.295 4.478 3.535 287 HG13 VAL 36 HG13 VAL 36 -3.118 4.358 1.979 288 HG21 VAL 36 HG21 VAL 36 -2.981 6.736 3.879 289 HG22 VAL 36 HG22 VAL 36 -4.684 7.152 4.062 290 HG23 VAL 36 HG23 VAL 36 -4.009 6.904 2.454 291 H ALA 37 HN ALA 37 -7.242 4.698 4.872 292 HA ALA 37 HA ALA 37 -8.396 7.316 4.261 293 HB1 ALA 37 HB1 ALA 37 -10.008 4.922 5.118 294 HB2 ALA 37 HB2 ALA 37 -10.015 5.661 3.515 295 HB3 ALA 37 HB3 ALA 37 -10.615 6.565 4.904 296 H ASP 38 HN ASP 38 -7.790 8.559 5.826 297 HA ASP 38 HA ASP 38 -7.581 9.482 7.887 298 HB2 ASP 38 HB2 ASP 38 -9.702 8.385 8.524 299 HB3 ASP 38 HB1 ASP 38 -8.806 6.938 8.968 300 H GLU 39 HN GLU 39 -5.751 9.712 8.948 301 HA GLU 39 HA GLU 39 -3.633 9.392 9.634 302 HB2 GLU 39 HB2 GLU 39 -4.585 6.572 10.159 303 HB3 GLU 39 HB1 GLU 39 -3.130 7.308 10.828 304 HG2 GLU 39 HG2 GLU 39 -5.970 8.160 11.346 305 HG3 GLU 39 HG1 GLU 39 -4.904 7.310 12.463 306 H GLY 40 HN GLY 40 -3.916 6.066 8.523 307 HA2 GLY 40 HA2 GLY 40 -2.648 6.431 5.995 308 HA3 GLY 40 HA1 GLY 40 -1.473 5.966 7.223 309 H LEU 41 HN LEU 41 -4.784 4.905 7.358 310 HA LEU 41 HA LEU 41 -3.936 2.208 6.934 311 HB2 LEU 41 HB2 LEU 41 -5.944 3.747 8.493 312 HB3 LEU 41 HB1 LEU 41 -6.223 2.078 8.191 313 HG LEU 41 HG LEU 41 -5.247 2.037 10.287 314 HD11 LEU 41 HD11 LEU 41 -2.925 1.791 8.390 315 HD12 LEU 41 HD12 LEU 41 -4.060 0.512 8.820 316 HD13 LEU 41 HD13 LEU 41 -2.980 1.181 10.043 317 HD21 LEU 41 HD21 LEU 41 -3.339 3.429 10.936 318 HD22 LEU 41 HD22 LEU 41 -4.707 4.402 10.401 319 HD23 LEU 41 HD23 LEU 41 -3.326 4.155 9.330 320 H ALA 42 HN ALA 42 -4.565 1.215 5.071 321 HA ALA 42 HA ALA 42 -7.273 1.863 4.054 322 HB1 ALA 42 HB1 ALA 42 -5.183 2.465 2.451 323 HB2 ALA 42 HB2 ALA 42 -6.697 1.826 1.801 324 HB3 ALA 42 HB3 ALA 42 -5.327 0.748 2.085 325 H TRP 43 HN TRP 43 -8.417 -0.190 4.842 326 HA TRP 43 HA TRP 43 -6.883 -2.409 4.472 327 HB2 TRP 43 HB2 TRP 43 -9.845 -2.785 4.339 328 HB3 TRP 43 HB1 TRP 43 -8.610 -3.807 5.050 329 HD1 TRP 43 HD1 TRP 43 -11.118 -1.700 6.450 330 HE1 TRP 43 HE1 TRP 43 -10.268 -0.535 8.594 331 HE3 TRP 43 HE3 TRP 43 -6.133 -2.588 5.929 332 HZ2 TRP 43 HZ2 TRP 43 -7.789 -0.109 9.768 333 HZ3 TRP 43 HZ3 TRP 43 -4.581 -1.747 7.634 334 HH2 TRP 43 HH2 TRP 43 -5.412 -0.514 9.556 335 H LEU 44 HN LEU 44 -6.064 -2.404 2.439 336 HA LEU 44 HA LEU 44 -7.701 -2.715 0.098 337 HB2 LEU 44 HB2 LEU 44 -6.537 -0.115 0.908 338 HB3 LEU 44 HB1 LEU 44 -6.176 -0.608 -0.737 339 HG LEU 44 HG LEU 44 -8.614 0.545 0.352 340 HD11 LEU 44 HD11 LEU 44 -9.038 0.952 -2.043 341 HD12 LEU 44 HD12 LEU 44 -7.643 -0.069 -2.442 342 HD13 LEU 44 HD13 LEU 44 -7.408 1.440 -1.558 343 HD21 LEU 44 HD21 LEU 44 -9.401 -1.761 0.338 344 HD22 LEU 44 HD22 LEU 44 -8.911 -1.899 -1.352 345 HD23 LEU 44 HD23 LEU 44 -10.193 -0.780 -0.894 346 H SER 45 HN SER 45 -6.514 -3.634 -1.441 347 HA SER 45 HA SER 45 -4.096 -3.739 -2.041 348 HB2 SER 45 HB2 SER 45 -3.433 -4.267 0.336 349 HB3 SER 45 HB1 SER 45 -4.097 -5.881 0.064 350 HG SER 45 HG SER 45 -1.693 -5.015 -0.541 351 H GLY 46 HN GLY 46 -4.243 -7.026 -1.482 352 HA2 GLY 46 HA2 GLY 46 -5.065 -8.392 -3.200 353 HA3 GLY 46 HA1 GLY 46 -5.264 -6.993 -4.237 354 H VAL 47 HN VAL 47 -2.380 -6.675 -2.763 355 HA VAL 47 HA VAL 47 -0.971 -6.995 -5.231 356 HB VAL 47 HB VAL 47 -0.562 -5.212 -3.469 357 HG11 VAL 47 HG11 VAL 47 -0.507 -6.600 -1.495 358 HG12 VAL 47 HG12 VAL 47 1.035 -5.764 -1.682 359 HG13 VAL 47 HG13 VAL 47 0.898 -7.468 -2.112 360 HG21 VAL 47 HG21 VAL 47 1.840 -5.094 -3.886 361 HG22 VAL 47 HG22 VAL 47 0.954 -5.538 -5.347 362 HG23 VAL 47 HG23 VAL 47 1.828 -6.769 -4.437 363 H THR 48 HN THR 48 1.041 -8.260 -5.432 364 HA THR 48 HA THR 48 0.735 -10.872 -4.098 365 HB THR 48 HB THR 48 2.273 -10.382 -6.650 366 HG1 THR 48 HG1 THR 48 -0.255 -10.085 -6.472 367 HG21 THR 48 HG21 THR 48 2.826 -12.427 -5.401 368 HG22 THR 48 HG22 THR 48 2.037 -12.802 -6.932 369 HG23 THR 48 HG23 THR 48 1.126 -12.899 -5.427 370 HA PRO 49 HA PRO 49 4.261 -9.868 -1.577 371 HB2 PRO 49 HB2 PRO 49 4.955 -12.681 -2.345 372 HB3 PRO 49 HB1 PRO 49 5.006 -11.907 -0.756 373 HG2 PRO 49 HG2 PRO 49 2.992 -13.517 -1.441 374 HG3 PRO 49 HG1 PRO 49 2.720 -12.065 -0.455 375 HD2 PRO 49 HD2 PRO 49 2.003 -12.589 -3.277 376 HD3 PRO 49 HD1 PRO 49 1.283 -11.458 -2.115 377 H GLY 50 HN GLY 50 5.931 -8.589 -2.366 378 HA2 GLY 50 HA2 GLY 50 8.284 -8.747 -3.003 379 HA3 GLY 50 HA1 GLY 50 7.844 -10.038 -4.116 380 H GLU 51 HN GLU 51 6.449 -6.732 -3.626 381 HA GLU 51 HA GLU 51 6.880 -6.392 -6.468 382 HB2 GLU 51 HB2 GLU 51 4.221 -5.865 -5.194 383 HB3 GLU 51 HB1 GLU 51 4.690 -5.313 -6.797 384 HG2 GLU 51 HG2 GLU 51 5.166 -7.778 -7.273 385 HG3 GLU 51 HG1 GLU 51 4.254 -8.062 -5.804 386 H THR 52 HN THR 52 6.029 -4.047 -7.055 387 HA THR 52 HA THR 52 6.614 -2.316 -4.803 388 HB THR 52 HB THR 52 7.290 -1.669 -7.677 389 HG1 THR 52 HG1 THR 52 8.593 -3.252 -5.849 390 HG21 THR 52 HG21 THR 52 8.710 0.065 -6.671 391 HG22 THR 52 HG22 THR 52 8.168 -0.425 -5.065 392 HG23 THR 52 HG23 THR 52 7.021 0.273 -6.209 393 H LEU 53 HN LEU 53 4.957 -1.195 -4.222 394 HA LEU 53 HA LEU 53 2.631 -0.728 -5.906 395 HB2 LEU 53 HB2 LEU 53 3.409 -0.219 -3.060 396 HB3 LEU 53 HB1 LEU 53 2.074 0.682 -3.764 397 HG LEU 53 HG LEU 53 2.220 -2.309 -3.676 398 HD11 LEU 53 HD11 LEU 53 0.582 -2.173 -1.869 399 HD12 LEU 53 HD12 LEU 53 0.726 -0.415 -1.869 400 HD13 LEU 53 HD13 LEU 53 2.105 -1.413 -1.408 401 HD21 LEU 53 HD21 LEU 53 0.851 -1.473 -5.456 402 HD22 LEU 53 HD22 LEU 53 0.095 -0.299 -4.372 403 HD23 LEU 53 HD23 LEU 53 -0.216 -2.029 -4.164 404 H SER 54 HN SER 54 2.013 1.390 -6.612 405 HA SER 54 HA SER 54 3.804 3.532 -5.860 406 HB2 SER 54 HB2 SER 54 1.769 3.583 -8.077 407 HB3 SER 54 HB1 SER 54 3.138 4.678 -7.854 408 HG SER 54 HG SER 54 3.071 2.052 -8.814 409 H VAL 55 HN VAL 55 3.119 5.205 -4.557 410 HA VAL 55 HA VAL 55 0.319 4.890 -3.746 411 HB VAL 55 HB VAL 55 2.623 5.528 -1.936 412 HG11 VAL 55 HG11 VAL 55 0.519 6.525 -1.196 413 HG12 VAL 55 HG12 VAL 55 1.027 5.222 -0.121 414 HG13 VAL 55 HG13 VAL 55 -0.259 4.947 -1.296 415 HG21 VAL 55 HG21 VAL 55 2.910 3.294 -2.545 416 HG22 VAL 55 HG22 VAL 55 1.179 2.973 -2.484 417 HG23 VAL 55 HG23 VAL 55 2.076 3.245 -0.990 418 H ASN 56 HN ASN 56 -0.903 6.611 -3.796 419 HA ASN 56 HA ASN 56 0.375 9.203 -4.446 420 HB2 ASN 56 HB2 ASN 56 -0.556 8.742 -6.481 421 HB3 ASN 56 HB1 ASN 56 -1.702 7.599 -5.816 422 HD21 ASN 56 HD21 ASN 56 -3.686 8.290 -5.137 423 HD22 ASN 56 HD22 ASN 56 -4.319 9.863 -5.543 424 H TRP 57 HN TRP 57 -0.392 11.025 -3.299 425 HA TRP 57 HA TRP 57 -3.198 10.992 -2.702 426 HB2 TRP 57 HB2 TRP 57 -3.028 11.326 -0.399 427 HB3 TRP 57 HB1 TRP 57 -1.936 10.017 -0.814 428 HD1 TRP 57 HD1 TRP 57 -1.976 13.604 0.333 429 HE1 TRP 57 HE1 TRP 57 0.253 14.210 1.444 430 HE3 TRP 57 HE3 TRP 57 0.598 9.301 -0.661 431 HZ2 TRP 57 HZ2 TRP 57 2.684 13.014 1.850 432 HZ3 TRP 57 HZ3 TRP 57 2.900 9.152 0.225 433 HH2 TRP 57 HH2 TRP 57 3.924 10.962 1.438 434 H ASP 58 HN ASP 58 -2.820 13.438 -0.914 435 HA ASP 58 HA ASP 58 -3.073 15.630 -2.362 436 HB2 ASP 58 HB2 ASP 58 -1.396 15.200 0.082 437 HB3 ASP 58 HB1 ASP 58 -1.410 16.774 -0.689 438 H GLY 59 HN GLY 59 0.261 14.529 -1.462 439 HA2 GLY 59 HA2 GLY 59 1.360 16.202 -3.586 440 HA3 GLY 59 HA1 GLY 59 2.255 15.061 -2.575 441 H LYS 60 HN LYS 60 -0.383 13.523 -3.634 442 HA LYS 60 HA LYS 60 -0.875 11.936 -5.097 443 HB2 LYS 60 HB2 LYS 60 0.914 13.614 -6.795 444 HB3 LYS 60 HB1 LYS 60 -0.023 12.248 -7.420 445 HG2 LYS 60 HG2 LYS 60 -1.774 13.716 -5.795 446 HG3 LYS 60 HG1 LYS 60 -0.900 14.908 -6.799 447 HD2 LYS 60 HD2 LYS 60 -1.543 13.772 -8.824 448 HD3 LYS 60 HD1 LYS 60 -2.253 12.444 -7.906 449 HE2 LYS 60 HE2 LYS 60 -4.013 13.872 -8.713 450 HE3 LYS 60 HE1 LYS 60 -3.898 14.031 -6.962 451 HZ1 LYS 60 HZ1 LYS 60 -4.189 16.163 -8.086 452 HZ2 LYS 60 HZ2 LYS 60 -2.731 15.935 -8.921 453 HZ3 LYS 60 HZ3 LYS 60 -2.727 16.104 -7.233 454 H ILE 61 HN ILE 61 1.395 11.139 -7.082 455 HA ILE 61 HA ILE 61 1.842 8.807 -5.405 456 HB ILE 61 HB ILE 61 1.523 9.073 -8.265 457 HG12 ILE 61 HG12 ILE 61 2.078 6.529 -6.744 458 HG13 ILE 61 HG11 ILE 61 0.529 7.353 -6.585 459 HG21 ILE 61 HG21 ILE 61 3.347 7.660 -9.045 460 HG22 ILE 61 HG22 ILE 61 4.066 7.685 -7.435 461 HG23 ILE 61 HG23 ILE 61 3.961 9.173 -8.377 462 HD11 ILE 61 HD11 ILE 61 0.395 5.571 -8.207 463 HD12 ILE 61 HD12 ILE 61 1.733 6.265 -9.124 464 HD13 ILE 61 HD13 ILE 61 0.200 7.129 -9.010 465 H GLN 62 HN GLN 62 3.473 9.053 -4.113 466 HA GLN 62 HA GLN 62 5.760 10.492 -5.075 467 HB2 GLN 62 HB2 GLN 62 5.624 11.421 -2.465 468 HB3 GLN 62 HB1 GLN 62 5.469 12.306 -3.966 469 HG2 GLN 62 HG2 GLN 62 3.096 12.202 -3.888 470 HG3 GLN 62 HG1 GLN 62 3.117 11.201 -2.419 471 HE21 GLN 62 HE21 GLN 62 1.968 12.886 -1.279 472 HE22 GLN 62 HE22 GLN 62 2.807 14.329 -0.766 473 H CYS 63 HN CYS 63 4.354 8.541 -2.592 474 HA CYS 63 HA CYS 63 7.029 7.439 -2.111 475 HB2 CYS 63 HB2 CYS 63 6.350 6.592 0.000 476 HB3 CYS 63 HB1 CYS 63 5.860 8.287 -0.028 477 H GLN 64 HN GLN 64 7.061 5.077 -2.156 478 HA GLN 64 HA GLN 64 4.781 3.935 -3.485 479 HB2 GLN 64 HB2 GLN 64 7.539 3.854 -4.705 480 HB3 GLN 64 HB1 GLN 64 6.163 2.877 -5.229 481 HG2 GLN 64 HG2 GLN 64 4.900 4.862 -5.704 482 HG3 GLN 64 HG1 GLN 64 6.237 5.850 -5.137 483 HE21 GLN 64 HE21 GLN 64 6.662 2.948 -7.023 484 HE22 GLN 64 HE22 GLN 64 7.232 3.721 -8.459 485 H VAL 65 HN VAL 65 4.979 1.462 -3.347 486 HA VAL 65 HA VAL 65 6.137 1.362 -0.740 487 HB VAL 65 HB VAL 65 3.417 0.584 -1.503 488 HG11 VAL 65 HG11 VAL 65 4.350 -1.669 -1.235 489 HG12 VAL 65 HG12 VAL 65 3.242 -1.274 0.080 490 HG13 VAL 65 HG13 VAL 65 4.984 -1.218 0.347 491 HG21 VAL 65 HG21 VAL 65 3.016 1.034 0.851 492 HG22 VAL 65 HG22 VAL 65 3.940 2.334 0.095 493 HG23 VAL 65 HG23 VAL 65 4.755 1.152 1.121 494 H ASN 66 HN ASN 66 7.261 -0.512 -0.129 495 HA ASN 66 HA ASN 66 7.726 -2.357 -2.364 496 HB2 ASN 66 HB2 ASN 66 9.747 -1.439 -1.274 497 HB3 ASN 66 HB1 ASN 66 9.223 -2.129 0.266 498 HD21 ASN 66 HD21 ASN 66 11.164 -3.325 0.369 499 HD22 ASN 66 HD22 ASN 66 11.374 -4.762 -0.579 500 H VAL 67 HN VAL 67 6.797 -4.300 -2.406 501 HA VAL 67 HA VAL 67 5.240 -5.069 -0.058 502 HB VAL 67 HB VAL 67 3.486 -5.414 -1.335 503 HG11 VAL 67 HG11 VAL 67 4.245 -3.578 -2.666 504 HG12 VAL 67 HG12 VAL 67 3.412 -4.773 -3.659 505 HG13 VAL 67 HG13 VAL 67 5.173 -4.683 -3.684 506 HG21 VAL 67 HG21 VAL 67 3.381 -7.124 -3.032 507 HG22 VAL 67 HG22 VAL 67 4.272 -7.691 -1.619 508 HG23 VAL 67 HG23 VAL 67 5.143 -7.201 -3.072 509 HA PRO 68 HA PRO 68 8.210 -8.272 0.236 510 HB2 PRO 68 HB2 PRO 68 7.701 -8.923 2.769 511 HB3 PRO 68 HB1 PRO 68 8.404 -7.357 2.353 512 HG2 PRO 68 HG2 PRO 68 5.629 -8.027 3.175 513 HG3 PRO 68 HG1 PRO 68 6.568 -6.554 3.471 514 HD2 PRO 68 HD2 PRO 68 4.623 -6.967 1.447 515 HD3 PRO 68 HD1 PRO 68 5.703 -5.572 1.622 516 H GLU 69 HN GLU 69 8.315 -10.544 0.693 517 HA GLU 69 HA GLU 69 6.255 -12.023 -0.375 518 HB2 GLU 69 HB2 GLU 69 8.481 -13.110 1.355 519 HB3 GLU 69 HB1 GLU 69 7.586 -13.977 0.117 520 HG2 GLU 69 HG2 GLU 69 9.527 -13.508 -0.988 521 HG3 GLU 69 HG1 GLU 69 8.536 -12.129 -1.462 522 H THR 70 HN THR 70 6.554 -10.930 2.801 523 HA THR 70 HA THR 70 5.222 -13.102 4.110 524 HB THR 70 HB THR 70 5.155 -11.351 6.014 525 HG1 THR 70 HG1 THR 70 5.794 -9.415 5.443 526 HG21 THR 70 HG21 THR 70 6.786 -13.177 5.905 527 HG22 THR 70 HG22 THR 70 7.531 -11.696 6.505 528 HG23 THR 70 HG23 THR 70 7.805 -12.208 4.840 529 H ALA 71 HN ALA 71 3.619 -11.903 1.942 530 HA ALA 71 HA ALA 71 1.527 -10.545 3.492 531 HB1 ALA 71 HB1 ALA 71 2.167 -10.007 0.599 532 HB2 ALA 71 HB2 ALA 71 2.612 -8.960 1.947 533 HB3 ALA 71 HB3 ALA 71 0.912 -9.228 1.562 534 H ILE 72 HN ILE 72 -0.641 -10.802 2.667 535 HA ILE 72 HA ILE 72 -1.329 -12.772 0.785 536 HB ILE 72 HB ILE 72 -0.408 -14.107 2.826 537 HG12 ILE 72 HG12 ILE 72 -2.104 -15.894 2.445 538 HG13 ILE 72 HG11 ILE 72 -3.113 -14.721 1.606 539 HG21 ILE 72 HG21 ILE 72 -2.124 -14.647 4.509 540 HG22 ILE 72 HG22 ILE 72 -3.159 -13.394 3.824 541 HG23 ILE 72 HG23 ILE 72 -1.621 -12.957 4.567 542 HD11 ILE 72 HD11 ILE 72 -1.908 -16.118 0.041 543 HD12 ILE 72 HD12 ILE 72 -0.372 -15.624 0.755 544 HD13 ILE 72 HD13 ILE 72 -1.377 -14.441 -0.082 545 H SER 73 HN SER 73 -3.810 -13.306 1.109 546 HA SER 73 HA SER 73 -5.183 -10.883 0.840 547 HB2 SER 73 HB2 SER 73 -7.219 -12.471 1.121 548 HB3 SER 73 HB1 SER 73 -6.124 -12.725 -0.240 549 HG SER 73 HG SER 73 -6.182 -14.133 2.221 550 H ASP 74 HN ASP 74 -6.227 -9.512 2.205 551 HA ASP 74 HA ASP 74 -7.250 -8.694 4.064 552 HB2 ASP 74 HB2 ASP 74 -7.593 -11.590 4.854 553 HB3 ASP 74 HB1 ASP 74 -8.386 -10.226 5.634 554 H GLN 75 HN GLN 75 -4.304 -10.114 4.192 555 HA GLN 75 HA GLN 75 -3.976 -10.213 7.039 556 HB2 GLN 75 HB2 GLN 75 -2.766 -11.681 5.370 557 HB3 GLN 75 HB1 GLN 75 -1.785 -10.279 4.968 558 HG2 GLN 75 HG2 GLN 75 -1.213 -10.165 7.440 559 HG3 GLN 75 HG1 GLN 75 -1.913 -11.778 7.561 560 HE21 GLN 75 HE21 GLN 75 0.698 -9.863 6.402 561 HE22 GLN 75 HE22 GLN 75 1.743 -11.175 5.928 562 H GLN 76 HN GLN 76 -2.272 -9.031 8.193 563 HA GLN 76 HA GLN 76 -2.451 -6.191 7.559 564 HB2 GLN 76 HB2 GLN 76 -1.389 -5.888 9.804 565 HB3 GLN 76 HB1 GLN 76 -2.956 -6.680 9.840 566 HG2 GLN 76 HG2 GLN 76 -1.910 -8.827 10.162 567 HG3 GLN 76 HG1 GLN 76 -0.311 -8.106 9.989 568 HE21 GLN 76 HE21 GLN 76 0.548 -6.931 11.657 569 HE22 GLN 76 HE22 GLN 76 -0.143 -6.918 13.254 570 H LEU 77 HN LEU 77 -0.694 -4.931 7.054 571 HA LEU 77 HA LEU 77 1.877 -6.145 6.882 572 HB2 LEU 77 HB2 LEU 77 0.379 -5.347 4.395 573 HB3 LEU 77 HB1 LEU 77 2.116 -5.179 4.470 574 HG LEU 77 HG LEU 77 1.736 -7.200 3.353 575 HD11 LEU 77 HD11 LEU 77 3.474 -7.401 5.001 576 HD12 LEU 77 HD12 LEU 77 2.601 -8.928 4.866 577 HD13 LEU 77 HD13 LEU 77 2.298 -7.856 6.233 578 HD21 LEU 77 HD21 LEU 77 -0.630 -7.457 3.902 579 HD22 LEU 77 HD22 LEU 77 -0.193 -8.001 5.522 580 HD23 LEU 77 HD23 LEU 77 0.260 -8.964 4.116 581 H LEU 78 HN LEU 78 3.230 -4.598 7.564 582 HA LEU 78 HA LEU 78 2.177 -1.877 7.605 583 HB2 LEU 78 HB2 LEU 78 4.535 -3.089 9.074 584 HB3 LEU 78 HB1 LEU 78 4.196 -1.365 9.042 585 HG LEU 78 HG LEU 78 1.929 -1.960 10.079 586 HD11 LEU 78 HD11 LEU 78 1.859 -4.044 11.361 587 HD12 LEU 78 HD12 LEU 78 3.389 -4.540 10.637 588 HD13 LEU 78 HD13 LEU 78 1.957 -4.353 9.627 589 HD21 LEU 78 HD21 LEU 78 2.883 -2.024 12.329 590 HD22 LEU 78 HD22 LEU 78 3.727 -0.865 11.301 591 HD23 LEU 78 HD23 LEU 78 4.459 -2.431 11.650 592 H LEU 79 HN LEU 79 2.741 -0.853 5.699 593 HA LEU 79 HA LEU 79 4.872 -2.159 4.175 594 HB2 LEU 79 HB2 LEU 79 2.515 -0.548 3.231 595 HB3 LEU 79 HB1 LEU 79 3.805 -1.110 2.185 596 HG LEU 79 HG LEU 79 1.970 -2.903 3.783 597 HD11 LEU 79 HD11 LEU 79 0.963 -3.469 1.641 598 HD12 LEU 79 HD12 LEU 79 2.004 -2.301 0.830 599 HD13 LEU 79 HD13 LEU 79 0.788 -1.747 1.980 600 HD21 LEU 79 HD21 LEU 79 2.953 -4.694 2.421 601 HD22 LEU 79 HD22 LEU 79 4.160 -3.892 3.425 602 HD23 LEU 79 HD23 LEU 79 4.063 -3.527 1.702 603 HA PRO 80 HA PRO 80 7.239 1.559 4.518 604 HB2 PRO 80 HB2 PRO 80 9.332 0.710 3.055 605 HB3 PRO 80 HB1 PRO 80 9.019 0.093 4.681 606 HG2 PRO 80 HG2 PRO 80 8.459 -1.164 2.035 607 HG3 PRO 80 HG1 PRO 80 9.035 -1.912 3.538 608 HD2 PRO 80 HD2 PRO 80 6.420 -1.970 2.651 609 HD3 PRO 80 HD1 PRO 80 6.921 -2.189 4.338 610 H CYS 81 HN CYS 81 6.631 3.273 3.440 611 HA CYS 81 HA CYS 81 6.316 3.181 0.528 612 HB2 CYS 81 HB2 CYS 81 4.759 4.294 2.515 613 HB3 CYS 81 HB1 CYS 81 5.659 5.686 1.907 614 H THR 82 HN THR 82 8.256 3.451 -0.388 615 HA THR 82 HA THR 82 10.154 5.371 0.724 616 HB THR 82 HB THR 82 10.446 3.375 -1.529 617 HG1 THR 82 HG1 THR 82 11.901 3.199 0.864 618 HG21 THR 82 HG21 THR 82 11.926 5.275 -1.879 619 HG22 THR 82 HG22 THR 82 12.855 3.861 -1.381 620 HG23 THR 82 HG23 THR 82 12.512 5.145 -0.221 621 HA PRO 83 HA PRO 83 8.770 8.339 -2.353 622 HB2 PRO 83 HB2 PRO 83 10.550 10.275 -1.684 623 HB3 PRO 83 HB1 PRO 83 9.084 9.963 -0.747 624 HG2 PRO 83 HG2 PRO 83 11.895 9.078 -0.219 625 HG3 PRO 83 HG1 PRO 83 10.687 9.713 0.915 626 HD2 PRO 83 HD2 PRO 83 11.219 7.065 0.676 627 HD3 PRO 83 HD1 PRO 83 9.611 7.684 1.100 628 H GLN 84 HN GLN 84 9.433 8.419 -4.449 629 HA GLN 84 HA GLN 84 12.209 7.612 -4.966 630 HB2 GLN 84 HB2 GLN 84 9.739 6.978 -6.576 631 HB3 GLN 84 HB1 GLN 84 11.380 6.769 -7.186 632 HG2 GLN 84 HG2 GLN 84 11.811 5.243 -5.252 633 HG3 GLN 84 HG1 GLN 84 10.090 5.334 -4.876 634 HE21 GLN 84 HE21 GLN 84 9.870 3.097 -5.225 635 HE22 GLN 84 HE22 GLN 84 9.856 2.440 -6.838 636 H LYS 85 HN LYS 85 13.157 9.534 -5.229 637 HA LYS 85 HA LYS 85 12.065 11.328 -7.297 638 HB2 LYS 85 HB2 LYS 85 14.040 11.910 -5.084 639 HB3 LYS 85 HB1 LYS 85 13.641 13.031 -6.378 640 HG2 LYS 85 HG2 LYS 85 11.284 13.001 -5.596 641 HG3 LYS 85 HG1 LYS 85 11.805 12.014 -4.223 642 HD2 LYS 85 HD2 LYS 85 13.354 13.768 -3.538 643 HD3 LYS 85 HD1 LYS 85 12.873 14.748 -4.921 644 HE2 LYS 85 HE2 LYS 85 10.572 14.807 -4.018 645 HE3 LYS 85 HE1 LYS 85 11.137 13.921 -2.600 646 HZ1 LYS 85 HZ1 LYS 85 12.723 15.754 -2.203 647 HZ2 LYS 85 HZ2 LYS 85 11.104 16.248 -2.099 648 HZ3 LYS 85 HZ3 LYS 85 12.017 16.618 -3.483 Start of MODEL 6 1 H1 VAL 1 HT1 VAL 1 -8.878 -17.729 0.043 2 H2 VAL 1 HT2 VAL 1 -8.332 -16.182 0.476 3 H3 VAL 1 HT3 VAL 1 -9.583 -16.915 1.354 4 HA VAL 1 HA VAL 1 -7.512 -16.993 2.564 5 HB VAL 1 HB VAL 1 -9.192 -18.791 2.844 6 HG11 VAL 1 HG11 VAL 1 -9.202 -19.724 0.612 7 HG12 VAL 1 HG12 VAL 1 -8.824 -20.982 1.788 8 HG13 VAL 1 HG13 VAL 1 -7.539 -20.275 0.806 9 HG21 VAL 1 HG21 VAL 1 -7.203 -18.789 4.239 10 HG22 VAL 1 HG22 VAL 1 -6.343 -19.749 3.034 11 HG23 VAL 1 HG23 VAL 1 -7.726 -20.435 3.888 12 H LEU 2 HN LEU 2 -7.309 -18.145 -0.724 13 HA LEU 2 HA LEU 2 -4.657 -19.054 -0.591 14 HB2 LEU 2 HB2 LEU 2 -6.471 -19.447 -2.381 15 HB3 LEU 2 HB1 LEU 2 -5.960 -17.918 -3.057 16 HG LEU 2 HG LEU 2 -4.077 -20.244 -2.674 17 HD11 LEU 2 HD11 LEU 2 -5.704 -19.483 -5.099 18 HD12 LEU 2 HD12 LEU 2 -5.858 -20.962 -4.150 19 HD13 LEU 2 HD13 LEU 2 -4.395 -20.664 -5.086 20 HD21 LEU 2 HD21 LEU 2 -3.026 -18.038 -2.920 21 HD22 LEU 2 HD22 LEU 2 -3.923 -17.783 -4.417 22 HD23 LEU 2 HD23 LEU 2 -2.717 -19.067 -4.320 23 H LYS 3 HN LYS 3 -3.012 -17.823 0.028 24 HA LYS 3 HA LYS 3 -1.342 -16.296 -0.141 25 HB2 LYS 3 HB2 LYS 3 -1.232 -16.208 -2.440 26 HB3 LYS 3 HB1 LYS 3 -2.880 -15.631 -2.611 27 HG2 LYS 3 HG2 LYS 3 -1.273 -13.939 -3.274 28 HG3 LYS 3 HG1 LYS 3 -2.200 -13.418 -1.868 29 HD2 LYS 3 HD2 LYS 3 -0.322 -14.052 -0.417 30 HD3 LYS 3 HD1 LYS 3 0.604 -14.531 -1.843 31 HE2 LYS 3 HE2 LYS 3 1.236 -12.293 -1.102 32 HE3 LYS 3 HE1 LYS 3 0.487 -12.246 -2.696 33 HZ1 LYS 3 HZ1 LYS 3 -1.637 -11.674 -1.483 34 HZ2 LYS 3 HZ2 LYS 3 -0.440 -10.479 -1.493 35 HZ3 LYS 3 HZ3 LYS 3 -0.686 -11.416 -0.105 36 H GLY 4 HN GLY 4 -4.452 -14.645 -0.767 37 HA2 GLY 4 HA2 GLY 4 -5.308 -13.081 0.893 38 HA3 GLY 4 HA1 GLY 4 -3.635 -12.669 1.277 39 H LYS 5 HN LYS 5 -5.908 -10.869 0.087 40 HA LYS 5 HA LYS 5 -4.840 -9.663 -1.842 41 HB2 LYS 5 HB2 LYS 5 -4.697 -11.718 -3.249 42 HB3 LYS 5 HB1 LYS 5 -6.446 -11.854 -3.210 43 HG2 LYS 5 HG2 LYS 5 -6.711 -9.897 -4.533 44 HG3 LYS 5 HG1 LYS 5 -5.001 -9.489 -4.380 45 HD2 LYS 5 HD2 LYS 5 -5.491 -10.454 -6.569 46 HD3 LYS 5 HD1 LYS 5 -4.399 -11.487 -5.646 47 HE2 LYS 5 HE2 LYS 5 -6.022 -12.887 -6.711 48 HE3 LYS 5 HE1 LYS 5 -6.373 -12.865 -4.984 49 HZ1 LYS 5 HZ1 LYS 5 -7.764 -11.175 -6.993 50 HZ2 LYS 5 HZ2 LYS 5 -8.167 -11.347 -5.352 51 HZ3 LYS 5 HZ3 LYS 5 -8.356 -12.655 -6.411 52 H ARG 6 HN ARG 6 -6.268 -9.261 0.079 53 HA ARG 6 HA ARG 6 -7.445 -7.156 -0.705 54 HB2 ARG 6 HB2 ARG 6 -9.748 -7.124 -0.281 55 HB3 ARG 6 HB1 ARG 6 -9.466 -8.394 -1.461 56 HG2 ARG 6 HG2 ARG 6 -10.964 -9.417 -0.028 57 HG3 ARG 6 HG1 ARG 6 -9.417 -9.971 0.599 58 HD2 ARG 6 HD2 ARG 6 -9.724 -7.704 2.027 59 HD3 ARG 6 HD1 ARG 6 -11.416 -8.158 1.794 60 HE ARG 6 HE ARG 6 -9.926 -10.398 2.675 61 HH11 ARG 6 HH11 ARG 6 -11.200 -7.346 3.831 62 HH12 ARG 6 HH12 ARG 6 -11.329 -7.885 5.475 63 HH21 ARG 6 HH21 ARG 6 -10.058 -11.107 4.826 64 HH22 ARG 6 HH22 ARG 6 -10.656 -10.030 6.055 65 H LEU 7 HN LEU 7 -7.928 -5.995 1.616 66 HA LEU 7 HA LEU 7 -6.897 -7.506 3.583 67 HB2 LEU 7 HB2 LEU 7 -4.589 -7.462 3.397 68 HB3 LEU 7 HB1 LEU 7 -5.187 -7.875 1.804 69 HG LEU 7 HG LEU 7 -4.003 -5.457 2.732 70 HD11 LEU 7 HD11 LEU 7 -3.284 -7.185 0.513 71 HD12 LEU 7 HD12 LEU 7 -2.403 -6.942 2.022 72 HD13 LEU 7 HD13 LEU 7 -2.500 -5.639 0.837 73 HD21 LEU 7 HD21 LEU 7 -5.771 -4.404 1.688 74 HD22 LEU 7 HD22 LEU 7 -5.613 -5.485 0.302 75 HD23 LEU 7 HD23 LEU 7 -4.375 -4.275 0.607 76 H PHE 8 HN PHE 8 -5.623 -6.288 5.253 77 HA PHE 8 HA PHE 8 -6.592 -3.521 5.398 78 HB2 PHE 8 HB2 PHE 8 -5.559 -5.329 7.604 79 HB3 PHE 8 HB1 PHE 8 -6.166 -3.686 7.818 80 HD1 PHE 8 HD2 PHE 8 -8.599 -3.253 7.082 81 HD2 PHE 8 HD1 PHE 8 -6.998 -7.132 7.793 82 HE1 PHE 8 HE2 PHE 8 -10.878 -4.134 7.383 83 HE2 PHE 8 HE1 PHE 8 -9.270 -8.020 8.092 84 HZ PHE 8 HZ PHE 8 -11.213 -6.521 7.889 85 H ALA 9 HN ALA 9 -4.986 -2.350 4.318 86 HA ALA 9 HA ALA 9 -2.206 -3.211 4.793 87 HB1 ALA 9 HB1 ALA 9 -3.289 -1.600 2.486 88 HB2 ALA 9 HB2 ALA 9 -2.878 -3.315 2.437 89 HB3 ALA 9 HB3 ALA 9 -1.615 -2.112 2.710 90 H ILE 10 HN ILE 10 -1.337 -1.999 6.361 91 HA ILE 10 HA ILE 10 -2.165 0.817 6.621 92 HB ILE 10 HB ILE 10 -0.462 -0.823 8.507 93 HG12 ILE 10 HG12 ILE 10 -3.345 0.069 8.750 94 HG13 ILE 10 HG11 ILE 10 -2.796 -1.585 8.495 95 HG21 ILE 10 HG21 ILE 10 0.099 1.538 8.566 96 HG22 ILE 10 HG22 ILE 10 -0.748 1.077 10.042 97 HG23 ILE 10 HG23 ILE 10 -1.601 1.957 8.774 98 HD11 ILE 10 HD11 ILE 10 -1.705 -1.564 10.669 99 HD12 ILE 10 HD12 ILE 10 -3.423 -1.188 10.808 100 HD13 ILE 10 HD13 ILE 10 -2.227 0.102 10.920 101 H LEU 11 HN LEU 11 -0.827 2.198 5.480 102 HA LEU 11 HA LEU 11 1.789 1.157 4.871 103 HB2 LEU 11 HB2 LEU 11 1.776 2.249 2.656 104 HB3 LEU 11 HB1 LEU 11 0.698 0.888 2.788 105 HG LEU 11 HG LEU 11 -0.401 2.445 1.433 106 HD11 LEU 11 HD11 LEU 11 -1.571 2.804 4.170 107 HD12 LEU 11 HD12 LEU 11 -1.910 1.496 3.036 108 HD13 LEU 11 HD13 LEU 11 -2.384 3.149 2.643 109 HD21 LEU 11 HD21 LEU 11 -0.752 4.788 1.973 110 HD22 LEU 11 HD22 LEU 11 0.959 4.383 1.853 111 HD23 LEU 11 HD23 LEU 11 0.212 4.595 3.437 112 H ARG 12 HN ARG 12 3.329 2.360 5.378 113 HA ARG 12 HA ARG 12 2.902 5.228 6.053 114 HB2 ARG 12 HB2 ARG 12 3.064 3.511 8.013 115 HB3 ARG 12 HB1 ARG 12 4.785 3.529 7.625 116 HG2 ARG 12 HG2 ARG 12 5.008 5.769 8.112 117 HG3 ARG 12 HG1 ARG 12 3.277 6.074 7.959 118 HD2 ARG 12 HD2 ARG 12 3.642 6.139 10.200 119 HD3 ARG 12 HD1 ARG 12 3.034 4.513 9.957 120 HE ARG 12 HE ARG 12 5.931 4.925 10.033 121 HH11 ARG 12 HH11 ARG 12 3.035 3.652 11.546 122 HH12 ARG 12 HH12 ARG 12 3.915 2.653 12.670 123 HH21 ARG 12 HH21 ARG 12 7.081 3.631 11.505 124 HH22 ARG 12 HH22 ARG 12 6.213 2.640 12.642 125 H LEU 13 HN LEU 13 5.245 6.310 6.100 126 HA LEU 13 HA LEU 13 6.671 5.075 3.921 127 HB2 LEU 13 HB2 LEU 13 7.267 7.190 2.935 128 HB3 LEU 13 HB1 LEU 13 5.526 6.978 2.930 129 HG LEU 13 HG LEU 13 6.146 8.458 5.254 130 HD11 LEU 13 HD11 LEU 13 7.328 10.375 4.213 131 HD12 LEU 13 HD12 LEU 13 7.616 9.368 2.791 132 HD13 LEU 13 HD13 LEU 13 8.315 8.919 4.345 133 HD21 LEU 13 HD21 LEU 13 4.993 9.293 2.577 134 HD22 LEU 13 HD22 LEU 13 4.924 10.264 4.046 135 HD23 LEU 13 HD23 LEU 13 4.078 8.721 3.976 136 H ALA 14 HN ALA 14 8.726 4.919 4.210 137 HA ALA 14 HA ALA 14 9.668 4.525 6.688 138 HB1 ALA 14 HB1 ALA 14 11.405 5.015 4.281 139 HB2 ALA 14 HB2 ALA 14 10.595 3.501 4.683 140 HB3 ALA 14 HB3 ALA 14 11.860 4.131 5.737 141 H ASP 15 HN ASP 15 9.417 7.620 5.495 142 HA ASP 15 HA ASP 15 11.763 8.808 6.698 143 HB2 ASP 15 HB2 ASP 15 10.783 10.069 4.927 144 HB3 ASP 15 HB1 ASP 15 9.168 9.918 5.619 145 H GLY 16 HN GLY 16 8.750 7.578 7.708 146 HA2 GLY 16 HA2 GLY 16 8.244 7.337 10.061 147 HA3 GLY 16 HA1 GLY 16 9.023 8.901 10.334 148 H SER 17 HN SER 17 7.468 9.223 7.541 149 HA SER 17 HA SER 17 5.194 10.547 8.831 150 HB2 SER 17 HB2 SER 17 6.721 12.006 7.484 151 HB3 SER 17 HB1 SER 17 6.351 11.020 6.065 152 HG SER 17 HG SER 17 4.643 12.729 7.544 153 H GLN 18 HN GLN 18 3.551 10.717 6.631 154 HA GLN 18 HA GLN 18 2.764 7.886 6.397 155 HB2 GLN 18 HB2 GLN 18 1.512 9.870 7.871 156 HB3 GLN 18 HB1 GLN 18 0.598 9.767 6.359 157 HG2 GLN 18 HG2 GLN 18 0.096 7.484 6.773 158 HG3 GLN 18 HG1 GLN 18 1.229 7.428 8.135 159 HE21 GLN 18 HE21 GLN 18 0.646 8.273 10.087 160 HE22 GLN 18 HE22 GLN 18 -0.966 8.809 10.456 161 HA PRO 19 HA PRO 19 1.419 9.335 2.359 162 HB2 PRO 19 HB2 PRO 19 0.678 6.625 1.767 163 HB3 PRO 19 HB1 PRO 19 2.001 7.550 1.055 164 HG2 PRO 19 HG2 PRO 19 2.329 5.356 2.698 165 HG3 PRO 19 HG1 PRO 19 3.557 6.603 2.423 166 HD2 PRO 19 HD2 PRO 19 1.677 6.261 4.719 167 HD3 PRO 19 HD1 PRO 19 3.367 6.815 4.712 168 HA PRO 20 HA PRO 20 -2.214 9.002 4.857 169 HB2 PRO 20 HB2 PRO 20 -2.567 11.574 5.092 170 HB3 PRO 20 HB1 PRO 20 -1.001 10.911 5.536 171 HG2 PRO 20 HG2 PRO 20 -1.798 12.405 3.081 172 HG3 PRO 20 HG1 PRO 20 -0.296 12.491 4.019 173 HD2 PRO 20 HD2 PRO 20 -0.829 10.880 1.726 174 HD3 PRO 20 HD1 PRO 20 0.640 10.884 2.736 175 H PHE 21 HN PHE 21 -4.472 10.136 4.781 176 HA PHE 21 HA PHE 21 -6.093 8.730 3.338 177 HB2 PHE 21 HB2 PHE 21 -6.980 10.245 4.880 178 HB3 PHE 21 HB1 PHE 21 -6.419 11.609 3.951 179 HD1 PHE 21 HD2 PHE 21 -8.451 8.607 3.144 180 HD2 PHE 21 HD1 PHE 21 -8.172 12.845 3.130 181 HE1 PHE 21 HE2 PHE 21 -10.653 8.735 2.066 182 HE2 PHE 21 HE1 PHE 21 -10.378 12.990 2.048 183 HZ PHE 21 HZ PHE 21 -11.623 10.934 1.512 184 H GLY 22 HN GLY 22 -5.593 8.041 1.314 185 HA2 GLY 22 HA2 GLY 22 -6.789 8.375 -0.853 186 HA3 GLY 22 HA1 GLY 22 -6.062 9.964 -0.834 187 H ALA 23 HN ALA 23 -3.712 8.379 0.574 188 HA ALA 23 HA ALA 23 -2.097 7.940 -1.491 189 HB1 ALA 23 HB1 ALA 23 -0.703 6.544 -0.130 190 HB2 ALA 23 HB2 ALA 23 -2.055 6.199 0.947 191 HB3 ALA 23 HB3 ALA 23 -1.389 7.830 0.862 192 H SER 24 HN SER 24 -3.072 7.119 -3.182 193 HA SER 24 HA SER 24 -4.092 4.602 -3.597 194 HB2 SER 24 HB2 SER 24 -3.551 4.973 -5.955 195 HB3 SER 24 HB1 SER 24 -3.931 6.545 -5.272 196 HG SER 24 HG SER 24 -1.388 5.437 -5.701 197 H VAL 25 HN VAL 25 -3.019 2.729 -2.844 198 HA VAL 25 HA VAL 25 -0.214 2.593 -3.581 199 HB VAL 25 HB VAL 25 0.123 0.603 -2.390 200 HG11 VAL 25 HG11 VAL 25 -0.343 1.251 -0.076 201 HG12 VAL 25 HG12 VAL 25 -1.469 2.475 -0.663 202 HG13 VAL 25 HG13 VAL 25 0.249 2.603 -1.041 203 HG21 VAL 25 HG21 VAL 25 -2.821 0.472 -2.114 204 HG22 VAL 25 HG22 VAL 25 -1.803 -0.253 -0.870 205 HG23 VAL 25 HG23 VAL 25 -1.669 -0.792 -2.545 206 H THR 26 HN THR 26 0.043 2.172 -5.622 207 HA THR 26 HA THR 26 -1.764 0.266 -6.887 208 HB THR 26 HB THR 26 -3.069 2.132 -7.377 209 HG1 THR 26 HG1 THR 26 -2.534 2.597 -9.657 210 HG21 THR 26 HG21 THR 26 -0.567 3.680 -8.029 211 HG22 THR 26 HG22 THR 26 -1.584 3.894 -6.603 212 HG23 THR 26 HG23 THR 26 -2.217 4.278 -8.204 213 H SER 27 HN SER 27 -0.702 -0.849 -8.541 214 HA SER 27 HA SER 27 2.195 -0.356 -8.389 215 HB2 SER 27 HB2 SER 27 1.736 -2.564 -7.600 216 HB3 SER 27 HB1 SER 27 0.624 -2.880 -8.929 217 HG SER 27 HG SER 27 2.505 -3.873 -9.459 218 H GLU 28 HN GLU 28 3.295 -0.904 -10.512 219 HA GLU 28 HA GLU 28 3.306 1.072 -12.086 220 HB2 GLU 28 HB2 GLU 28 3.272 -1.729 -13.168 221 HB3 GLU 28 HB1 GLU 28 3.811 -0.332 -14.091 222 HG2 GLU 28 HG2 GLU 28 5.010 -1.358 -11.531 223 HG3 GLU 28 HG1 GLU 28 5.701 -1.489 -13.150 224 H LYS 29 HN LYS 29 1.195 -1.432 -13.531 225 HA LYS 29 HA LYS 29 0.118 0.316 -15.407 226 HB2 LYS 29 HB2 LYS 29 0.167 -2.180 -15.537 227 HB3 LYS 29 HB1 LYS 29 -1.176 -2.222 -14.402 228 HG2 LYS 29 HG2 LYS 29 -2.480 -0.848 -16.047 229 HG3 LYS 29 HG1 LYS 29 -1.160 -1.102 -17.191 230 HD2 LYS 29 HD2 LYS 29 -1.477 -3.508 -17.055 231 HD3 LYS 29 HD1 LYS 29 -2.752 -3.288 -15.855 232 HE2 LYS 29 HE2 LYS 29 -2.787 -2.420 -18.742 233 HE3 LYS 29 HE1 LYS 29 -3.768 -3.679 -17.994 234 HZ1 LYS 29 HZ1 LYS 29 -4.609 -1.788 -16.507 235 HZ2 LYS 29 HZ2 LYS 29 -5.191 -1.876 -18.095 236 HZ3 LYS 29 HZ3 LYS 29 -3.984 -0.751 -17.698 237 H GLY 30 HN GLY 30 -0.966 -0.354 -12.182 238 HA2 GLY 30 HA2 GLY 30 -2.111 1.644 -11.168 239 HA3 GLY 30 HA1 GLY 30 -3.227 1.451 -12.500 240 H ARG 31 HN ARG 31 -1.539 -0.873 -10.514 241 HA ARG 31 HA ARG 31 -4.019 -2.335 -10.160 242 HB2 ARG 31 HB2 ARG 31 -1.319 -3.161 -10.237 243 HB3 ARG 31 HB1 ARG 31 -1.840 -3.338 -8.561 244 HG2 ARG 31 HG2 ARG 31 -3.040 -4.620 -11.002 245 HG3 ARG 31 HG1 ARG 31 -2.292 -5.404 -9.604 246 HD2 ARG 31 HD2 ARG 31 -4.103 -4.470 -8.183 247 HD3 ARG 31 HD1 ARG 31 -4.874 -3.841 -9.635 248 HE ARG 31 HE ARG 31 -4.375 -6.691 -9.631 249 HH11 ARG 31 HH11 ARG 31 -6.651 -4.093 -9.017 250 HH12 ARG 31 HH12 ARG 31 -8.033 -5.149 -8.986 251 HH21 ARG 31 HH21 ARG 31 -6.198 -8.072 -9.580 252 HH22 ARG 31 HH22 ARG 31 -7.780 -7.395 -9.306 253 H GLU 32 HN GLU 32 -5.145 -0.863 -8.912 254 HA GLU 32 HA GLU 32 -3.863 0.306 -6.649 255 HB2 GLU 32 HB2 GLU 32 -6.786 0.560 -7.277 256 HB3 GLU 32 HB1 GLU 32 -5.717 1.730 -6.513 257 HG2 GLU 32 HG2 GLU 32 -4.477 1.776 -8.771 258 HG3 GLU 32 HG1 GLU 32 -5.918 0.981 -9.404 259 H LEU 33 HN LEU 33 -3.489 -1.080 -5.041 260 HA LEU 33 HA LEU 33 -5.693 -2.835 -4.103 261 HB2 LEU 33 HB2 LEU 33 -2.745 -3.068 -3.539 262 HB3 LEU 33 HB1 LEU 33 -4.020 -4.145 -3.013 263 HG LEU 33 HG LEU 33 -3.152 -5.361 -4.755 264 HD11 LEU 33 HD11 LEU 33 -5.502 -4.988 -5.261 265 HD12 LEU 33 HD12 LEU 33 -4.548 -5.161 -6.734 266 HD13 LEU 33 HD13 LEU 33 -5.076 -3.563 -6.208 267 HD21 LEU 33 HD21 LEU 33 -1.441 -3.743 -5.343 268 HD22 LEU 33 HD22 LEU 33 -2.627 -2.797 -6.242 269 HD23 LEU 33 HD23 LEU 33 -2.197 -4.418 -6.788 270 H GLY 34 HN GLY 34 -4.031 -0.020 -3.366 271 HA2 GLY 34 HA2 GLY 34 -5.599 -0.013 -0.869 272 HA3 GLY 34 HA1 GLY 34 -3.881 0.336 -0.795 273 H MET 35 HN MET 35 -6.306 1.931 -0.155 274 HA MET 35 HA MET 35 -5.032 4.378 -1.032 275 HB2 MET 35 HB2 MET 35 -8.048 4.211 -1.171 276 HB3 MET 35 HB1 MET 35 -7.010 5.561 -1.621 277 HG2 MET 35 HG2 MET 35 -6.265 4.522 -3.540 278 HG3 MET 35 HG1 MET 35 -6.803 2.924 -2.979 279 HE1 MET 35 HE1 MET 35 -7.942 6.471 -4.276 280 HE2 MET 35 HE2 MET 35 -8.837 6.284 -2.770 281 HE3 MET 35 HE3 MET 35 -9.696 6.288 -4.311 282 H VAL 36 HN VAL 36 -4.591 5.346 0.835 283 HA VAL 36 HA VAL 36 -5.543 4.037 3.212 284 HB VAL 36 HB VAL 36 -3.367 4.864 3.428 285 HG11 VAL 36 HG11 VAL 36 -3.452 6.409 1.561 286 HG12 VAL 36 HG12 VAL 36 -2.755 7.169 2.991 287 HG13 VAL 36 HG13 VAL 36 -4.418 7.524 2.526 288 HG21 VAL 36 HG21 VAL 36 -5.186 6.840 4.790 289 HG22 VAL 36 HG22 VAL 36 -3.491 6.561 5.198 290 HG23 VAL 36 HG23 VAL 36 -4.679 5.275 5.428 291 H ALA 37 HN ALA 37 -7.207 4.529 4.451 292 HA ALA 37 HA ALA 37 -8.537 7.098 4.001 293 HB1 ALA 37 HB1 ALA 37 -10.645 6.127 4.769 294 HB2 ALA 37 HB2 ALA 37 -9.883 4.539 4.872 295 HB3 ALA 37 HB3 ALA 37 -10.072 5.330 3.306 296 H ASP 38 HN ASP 38 -8.341 8.367 5.735 297 HA ASP 38 HA ASP 38 -8.177 9.056 7.927 298 HB2 ASP 38 HB2 ASP 38 -9.514 6.807 8.412 299 HB3 ASP 38 HB1 ASP 38 -7.944 6.264 8.985 300 H GLU 39 HN GLU 39 -6.475 7.751 9.857 301 HA GLU 39 HA GLU 39 -4.052 8.615 8.775 302 HB2 GLU 39 HB2 GLU 39 -4.464 7.203 11.403 303 HB3 GLU 39 HB1 GLU 39 -3.119 8.254 10.971 304 HG2 GLU 39 HG2 GLU 39 -4.739 10.117 10.720 305 HG3 GLU 39 HG1 GLU 39 -6.000 9.044 11.321 306 H GLY 40 HN GLY 40 -3.842 6.928 6.996 307 HA2 GLY 40 HA2 GLY 40 -1.856 5.863 6.308 308 HA3 GLY 40 HA1 GLY 40 -1.564 5.366 7.965 309 H LEU 41 HN LEU 41 -4.309 4.067 8.223 310 HA LEU 41 HA LEU 41 -3.880 1.793 6.830 311 HB2 LEU 41 HB2 LEU 41 -6.595 1.793 7.591 312 HB3 LEU 41 HB1 LEU 41 -5.237 1.040 8.353 313 HG LEU 41 HG LEU 41 -6.559 2.244 9.948 314 HD11 LEU 41 HD11 LEU 41 -3.856 3.485 9.531 315 HD12 LEU 41 HD12 LEU 41 -4.213 2.005 10.420 316 HD13 LEU 41 HD13 LEU 41 -4.802 3.557 11.017 317 HD21 LEU 41 HD21 LEU 41 -5.953 4.676 8.293 318 HD22 LEU 41 HD22 LEU 41 -6.576 4.725 9.938 319 HD23 LEU 41 HD23 LEU 41 -7.529 3.978 8.658 320 H ALA 42 HN ALA 42 -4.138 1.327 4.742 321 HA ALA 42 HA ALA 42 -6.426 2.480 3.278 322 HB1 ALA 42 HB1 ALA 42 -4.141 0.897 2.086 323 HB2 ALA 42 HB2 ALA 42 -4.189 2.659 2.154 324 HB3 ALA 42 HB3 ALA 42 -5.400 1.784 1.206 325 H TRP 43 HN TRP 43 -8.105 1.234 3.980 326 HA TRP 43 HA TRP 43 -7.916 -1.579 4.174 327 HB2 TRP 43 HB2 TRP 43 -10.211 0.309 4.205 328 HB3 TRP 43 HB1 TRP 43 -10.440 -1.426 4.316 329 HD1 TRP 43 HD1 TRP 43 -11.386 -0.150 6.812 330 HE1 TRP 43 HE1 TRP 43 -10.092 -0.352 9.032 331 HE3 TRP 43 HE3 TRP 43 -6.718 -1.198 4.999 332 HZ2 TRP 43 HZ2 TRP 43 -7.543 -0.911 9.783 333 HZ3 TRP 43 HZ3 TRP 43 -4.892 -1.545 6.598 334 HH2 TRP 43 HH2 TRP 43 -5.298 -1.391 8.992 335 H LEU 44 HN LEU 44 -7.573 -2.658 2.174 336 HA LEU 44 HA LEU 44 -9.058 -1.986 -0.183 337 HB2 LEU 44 HB2 LEU 44 -6.427 -0.883 0.215 338 HB3 LEU 44 HB1 LEU 44 -6.573 -1.835 -1.251 339 HG LEU 44 HG LEU 44 -7.296 0.862 -0.867 340 HD11 LEU 44 HD11 LEU 44 -6.417 0.071 -2.929 341 HD12 LEU 44 HD12 LEU 44 -8.044 0.707 -3.239 342 HD13 LEU 44 HD13 LEU 44 -7.783 -1.037 -3.150 343 HD21 LEU 44 HD21 LEU 44 -9.430 0.062 0.037 344 HD22 LEU 44 HD22 LEU 44 -9.728 -0.763 -1.494 345 HD23 LEU 44 HD23 LEU 44 -9.583 0.993 -1.449 346 H SER 45 HN SER 45 -6.700 -3.574 -1.619 347 HA SER 45 HA SER 45 -7.763 -5.869 -0.703 348 HB2 SER 45 HB2 SER 45 -8.440 -6.678 -3.076 349 HB3 SER 45 HB1 SER 45 -9.589 -5.703 -2.159 350 HG SER 45 HG SER 45 -7.746 -4.632 -4.042 351 H GLY 46 HN GLY 46 -5.849 -6.961 -0.503 352 HA2 GLY 46 HA2 GLY 46 -3.551 -5.900 -1.309 353 HA3 GLY 46 HA1 GLY 46 -3.689 -7.557 -0.788 354 H VAL 47 HN VAL 47 -1.651 -7.092 -2.128 355 HA VAL 47 HA VAL 47 -2.093 -7.755 -4.955 356 HB VAL 47 HB VAL 47 -1.265 -5.423 -4.470 357 HG11 VAL 47 HG11 VAL 47 0.131 -5.872 -2.565 358 HG12 VAL 47 HG12 VAL 47 1.095 -5.145 -3.851 359 HG13 VAL 47 HG13 VAL 47 1.200 -6.878 -3.543 360 HG21 VAL 47 HG21 VAL 47 0.688 -7.087 -6.041 361 HG22 VAL 47 HG22 VAL 47 0.358 -5.365 -6.229 362 HG23 VAL 47 HG23 VAL 47 -0.882 -6.552 -6.637 363 H THR 48 HN THR 48 -0.013 -8.750 -5.905 364 HA THR 48 HA THR 48 0.836 -11.048 -4.447 365 HB THR 48 HB THR 48 2.099 -9.897 -6.946 366 HG1 THR 48 HG1 THR 48 -0.245 -11.517 -6.719 367 HG21 THR 48 HG21 THR 48 3.218 -11.861 -5.992 368 HG22 THR 48 HG22 THR 48 2.459 -12.245 -7.537 369 HG23 THR 48 HG23 THR 48 1.693 -12.745 -6.028 370 HA PRO 49 HA PRO 49 4.372 -9.180 -2.451 371 HB2 PRO 49 HB2 PRO 49 5.755 -11.688 -2.239 372 HB3 PRO 49 HB1 PRO 49 4.847 -10.834 -0.992 373 HG2 PRO 49 HG2 PRO 49 4.095 -13.232 -2.123 374 HG3 PRO 49 HG1 PRO 49 2.992 -12.102 -1.311 375 HD2 PRO 49 HD2 PRO 49 3.458 -12.537 -4.227 376 HD3 PRO 49 HD1 PRO 49 1.956 -12.145 -3.366 377 H GLY 50 HN GLY 50 6.553 -8.560 -2.865 378 HA2 GLY 50 HA2 GLY 50 8.715 -8.859 -3.802 379 HA3 GLY 50 HA1 GLY 50 8.059 -10.103 -4.865 380 H GLU 51 HN GLU 51 6.945 -6.741 -4.247 381 HA GLU 51 HA GLU 51 7.299 -6.266 -7.087 382 HB2 GLU 51 HB2 GLU 51 4.609 -5.841 -5.792 383 HB3 GLU 51 HB1 GLU 51 5.063 -5.352 -7.415 384 HG2 GLU 51 HG2 GLU 51 5.602 -7.874 -7.727 385 HG3 GLU 51 HG1 GLU 51 4.587 -8.051 -6.302 386 H THR 52 HN THR 52 6.127 -3.912 -7.421 387 HA THR 52 HA THR 52 6.722 -2.326 -5.082 388 HB THR 52 HB THR 52 7.745 -1.604 -7.835 389 HG1 THR 52 HG1 THR 52 8.793 -3.117 -5.846 390 HG21 THR 52 HG21 THR 52 8.106 -0.221 -5.171 391 HG22 THR 52 HG22 THR 52 7.145 0.372 -6.525 392 HG23 THR 52 HG23 THR 52 8.896 0.236 -6.679 393 H LEU 53 HN LEU 53 4.740 -1.754 -4.644 394 HA LEU 53 HA LEU 53 2.689 -0.777 -6.330 395 HB2 LEU 53 HB2 LEU 53 3.445 -0.422 -3.445 396 HB3 LEU 53 HB1 LEU 53 2.108 0.485 -4.140 397 HG LEU 53 HG LEU 53 2.245 -2.502 -4.213 398 HD11 LEU 53 HD11 LEU 53 0.712 -2.506 -2.318 399 HD12 LEU 53 HD12 LEU 53 0.885 -0.754 -2.178 400 HD13 LEU 53 HD13 LEU 53 2.270 -1.805 -1.879 401 HD21 LEU 53 HD21 LEU 53 0.119 -0.419 -4.617 402 HD22 LEU 53 HD22 LEU 53 -0.218 -2.156 -4.511 403 HD23 LEU 53 HD23 LEU 53 0.775 -1.527 -5.829 404 H SER 54 HN SER 54 2.250 1.368 -6.958 405 HA SER 54 HA SER 54 4.129 3.383 -6.047 406 HB2 SER 54 HB2 SER 54 2.391 3.333 -8.516 407 HB3 SER 54 HB1 SER 54 3.518 4.631 -8.094 408 HG SER 54 HG SER 54 4.011 2.295 -9.334 409 H VAL 55 HN VAL 55 3.413 5.139 -4.866 410 HA VAL 55 HA VAL 55 0.600 4.802 -4.126 411 HB VAL 55 HB VAL 55 2.877 5.412 -2.279 412 HG11 VAL 55 HG11 VAL 55 1.249 5.195 -0.478 413 HG12 VAL 55 HG12 VAL 55 -0.033 4.965 -1.670 414 HG13 VAL 55 HG13 VAL 55 0.816 6.508 -1.572 415 HG21 VAL 55 HG21 VAL 55 1.257 2.919 -2.620 416 HG22 VAL 55 HG22 VAL 55 2.427 3.201 -1.334 417 HG23 VAL 55 HG23 VAL 55 2.961 3.135 -3.016 418 H ASN 56 HN ASN 56 -0.589 6.486 -4.588 419 HA ASN 56 HA ASN 56 0.732 9.035 -5.071 420 HB2 ASN 56 HB2 ASN 56 -0.274 8.713 -7.085 421 HB3 ASN 56 HB1 ASN 56 -1.493 7.647 -6.410 422 HD21 ASN 56 HD21 ASN 56 -3.386 8.454 -5.683 423 HD22 ASN 56 HD22 ASN 56 -3.884 10.100 -5.958 424 H TRP 57 HN TRP 57 -0.106 10.919 -4.337 425 HA TRP 57 HA TRP 57 -2.158 10.832 -2.341 426 HB2 TRP 57 HB2 TRP 57 -0.619 10.026 -0.910 427 HB3 TRP 57 HB1 TRP 57 0.708 10.525 -1.925 428 HD1 TRP 57 HD1 TRP 57 -1.517 13.272 -0.523 429 HE1 TRP 57 HE1 TRP 57 -0.135 14.601 1.174 430 HE3 TRP 57 HE3 TRP 57 2.442 10.101 -0.089 431 HZ2 TRP 57 HZ2 TRP 57 2.252 14.296 2.467 432 HZ3 TRP 57 HZ3 TRP 57 4.229 10.719 1.478 433 HH2 TRP 57 HH2 TRP 57 4.143 12.780 2.753 434 H ASP 58 HN ASP 58 -2.853 12.848 -1.639 435 HA ASP 58 HA ASP 58 -3.327 14.994 -2.824 436 HB2 ASP 58 HB2 ASP 58 -2.624 14.577 -0.132 437 HB3 ASP 58 HB1 ASP 58 -1.859 16.089 -0.619 438 H GLY 59 HN GLY 59 0.067 15.216 -1.403 439 HA2 GLY 59 HA2 GLY 59 0.770 17.241 -3.102 440 HA3 GLY 59 HA1 GLY 59 1.929 16.078 -2.470 441 H LYS 60 HN LYS 60 0.882 13.810 -3.971 442 HA LYS 60 HA LYS 60 1.216 13.974 -6.690 443 HB2 LYS 60 HB2 LYS 60 3.696 13.574 -6.849 444 HB3 LYS 60 HB1 LYS 60 3.275 15.204 -6.310 445 HG2 LYS 60 HG2 LYS 60 3.344 13.597 -3.994 446 HG3 LYS 60 HG1 LYS 60 4.798 13.196 -4.958 447 HD2 LYS 60 HD2 LYS 60 5.331 15.616 -5.156 448 HD3 LYS 60 HD1 LYS 60 3.952 15.973 -4.117 449 HE2 LYS 60 HE2 LYS 60 5.009 14.580 -2.348 450 HE3 LYS 60 HE1 LYS 60 6.425 14.415 -3.387 451 HZ1 LYS 60 HZ1 LYS 60 6.598 16.198 -1.690 452 HZ2 LYS 60 HZ2 LYS 60 5.341 17.026 -2.476 453 HZ3 LYS 60 HZ3 LYS 60 6.807 16.747 -3.282 454 H ILE 61 HN ILE 61 2.915 11.847 -7.237 455 HA ILE 61 HA ILE 61 1.918 9.770 -5.499 456 HB ILE 61 HB ILE 61 1.456 9.509 -8.019 457 HG12 ILE 61 HG12 ILE 61 2.856 7.315 -6.476 458 HG13 ILE 61 HG11 ILE 61 1.090 7.558 -6.593 459 HG21 ILE 61 HG21 ILE 61 3.249 8.566 -9.372 460 HG22 ILE 61 HG22 ILE 61 4.383 8.840 -8.047 461 HG23 ILE 61 HG23 ILE 61 3.611 10.212 -8.848 462 HD11 ILE 61 HD11 ILE 61 1.214 7.019 -8.977 463 HD12 ILE 61 HD12 ILE 61 1.819 5.704 -7.969 464 HD13 ILE 61 HD13 ILE 61 2.950 6.740 -8.840 465 H GLN 62 HN GLN 62 3.454 9.328 -3.896 466 HA GLN 62 HA GLN 62 5.904 10.833 -4.458 467 HB2 GLN 62 HB2 GLN 62 5.368 10.948 -1.663 468 HB3 GLN 62 HB1 GLN 62 5.576 12.237 -2.841 469 HG2 GLN 62 HG2 GLN 62 3.126 11.861 -3.414 470 HG3 GLN 62 HG1 GLN 62 3.064 10.952 -1.892 471 HE21 GLN 62 HE21 GLN 62 1.685 13.407 -2.498 472 HE22 GLN 62 HE22 GLN 62 2.255 14.593 -1.351 473 H CYS 63 HN CYS 63 4.461 8.285 -2.598 474 HA CYS 63 HA CYS 63 7.159 7.248 -2.147 475 HB2 CYS 63 HB2 CYS 63 6.404 6.079 -0.166 476 HB3 CYS 63 HB1 CYS 63 6.061 7.800 0.024 477 H GLN 64 HN GLN 64 7.136 4.835 -2.229 478 HA GLN 64 HA GLN 64 4.926 3.806 -3.794 479 HB2 GLN 64 HB2 GLN 64 7.801 3.580 -4.692 480 HB3 GLN 64 HB1 GLN 64 6.447 2.669 -5.369 481 HG2 GLN 64 HG2 GLN 64 5.362 4.679 -6.051 482 HG3 GLN 64 HG1 GLN 64 6.620 5.635 -5.261 483 HE21 GLN 64 HE21 GLN 64 5.927 3.516 -7.964 484 HE22 GLN 64 HE22 GLN 64 7.309 3.951 -8.912 485 H VAL 65 HN VAL 65 4.900 1.363 -3.573 486 HA VAL 65 HA VAL 65 6.019 1.123 -0.967 487 HB VAL 65 HB VAL 65 3.348 0.195 -1.838 488 HG11 VAL 65 HG11 VAL 65 3.257 -1.552 -0.147 489 HG12 VAL 65 HG12 VAL 65 4.952 -1.282 0.253 490 HG13 VAL 65 HG13 VAL 65 4.511 -1.929 -1.329 491 HG21 VAL 65 HG21 VAL 65 4.540 1.110 0.745 492 HG22 VAL 65 HG22 VAL 65 2.830 0.767 0.470 493 HG23 VAL 65 HG23 VAL 65 3.616 2.094 -0.389 494 H ASN 66 HN ASN 66 7.245 -0.661 -0.484 495 HA ASN 66 HA ASN 66 7.876 -2.214 -2.893 496 HB2 ASN 66 HB2 ASN 66 9.569 -1.610 -0.456 497 HB3 ASN 66 HB1 ASN 66 9.959 -2.933 -1.556 498 HD21 ASN 66 HD21 ASN 66 8.571 0.076 -2.684 499 HD22 ASN 66 HD22 ASN 66 9.992 0.634 -3.501 500 H VAL 67 HN VAL 67 7.192 -4.231 -2.943 501 HA VAL 67 HA VAL 67 5.907 -5.272 -0.524 502 HB VAL 67 HB VAL 67 5.469 -6.277 -3.319 503 HG11 VAL 67 HG11 VAL 67 3.890 -6.608 -0.772 504 HG12 VAL 67 HG12 VAL 67 4.908 -7.833 -1.528 505 HG13 VAL 67 HG13 VAL 67 3.453 -7.269 -2.349 506 HG21 VAL 67 HG21 VAL 67 3.366 -5.001 -3.324 507 HG22 VAL 67 HG22 VAL 67 4.776 -3.943 -3.247 508 HG23 VAL 67 HG23 VAL 67 3.828 -4.255 -1.793 509 HA PRO 68 HA PRO 68 9.189 -8.332 -0.768 510 HB2 PRO 68 HB2 PRO 68 9.274 -8.914 1.834 511 HB3 PRO 68 HB1 PRO 68 9.920 -7.385 1.226 512 HG2 PRO 68 HG2 PRO 68 7.393 -7.919 2.696 513 HG3 PRO 68 HG1 PRO 68 8.428 -6.482 2.722 514 HD2 PRO 68 HD2 PRO 68 6.043 -6.844 1.232 515 HD3 PRO 68 HD1 PRO 68 7.192 -5.499 1.101 516 H GLU 69 HN GLU 69 9.263 -10.667 -0.250 517 HA GLU 69 HA GLU 69 6.652 -11.876 -0.436 518 HB2 GLU 69 HB2 GLU 69 9.423 -13.096 -0.431 519 HB3 GLU 69 HB1 GLU 69 7.937 -13.988 -0.736 520 HG2 GLU 69 HG2 GLU 69 7.508 -12.621 -2.705 521 HG3 GLU 69 HG1 GLU 69 8.982 -11.705 -2.394 522 H THR 70 HN THR 70 8.121 -10.762 2.146 523 HA THR 70 HA THR 70 7.468 -12.998 3.878 524 HB THR 70 HB THR 70 8.558 -10.334 4.777 525 HG1 THR 70 HG1 THR 70 10.283 -12.434 3.999 526 HG21 THR 70 HG21 THR 70 9.029 -13.164 5.736 527 HG22 THR 70 HG22 THR 70 7.950 -11.993 6.496 528 HG23 THR 70 HG23 THR 70 9.688 -11.697 6.463 529 H ALA 71 HN ALA 71 5.559 -10.900 2.505 530 HA ALA 71 HA ALA 71 4.367 -9.663 4.884 531 HB1 ALA 71 HB1 ALA 71 4.907 -8.115 3.056 532 HB2 ALA 71 HB2 ALA 71 3.171 -8.198 3.356 533 HB3 ALA 71 HB3 ALA 71 3.868 -9.043 1.975 534 H ILE 72 HN ILE 72 1.829 -9.391 4.306 535 HA ILE 72 HA ILE 72 0.764 -11.977 3.669 536 HB ILE 72 HB ILE 72 1.328 -12.037 6.139 537 HG12 ILE 72 HG12 ILE 72 -0.881 -12.965 6.832 538 HG13 ILE 72 HG11 ILE 72 -1.591 -12.302 5.363 539 HG21 ILE 72 HG21 ILE 72 0.816 -9.728 6.678 540 HG22 ILE 72 HG22 ILE 72 -0.137 -10.826 7.677 541 HG23 ILE 72 HG23 ILE 72 -0.886 -10.002 6.309 542 HD11 ILE 72 HD11 ILE 72 0.551 -14.412 5.517 543 HD12 ILE 72 HD12 ILE 72 -0.101 -13.723 4.030 544 HD13 ILE 72 HD13 ILE 72 -1.146 -14.656 5.101 545 H SER 73 HN SER 73 -1.805 -11.733 3.997 546 HA SER 73 HA SER 73 -2.705 -9.060 3.571 547 HB2 SER 73 HB2 SER 73 -3.160 -11.039 1.327 548 HB3 SER 73 HB1 SER 73 -3.690 -9.358 1.383 549 HG SER 73 HG SER 73 -1.135 -9.230 1.782 550 H ASP 74 HN ASP 74 -5.298 -9.436 2.809 551 HA ASP 74 HA ASP 74 -7.313 -9.992 3.622 552 HB2 ASP 74 HB2 ASP 74 -6.629 -12.328 3.044 553 HB3 ASP 74 HB1 ASP 74 -6.063 -12.524 4.700 554 H GLN 75 HN GLN 75 -4.762 -10.782 5.956 555 HA GLN 75 HA GLN 75 -6.265 -9.649 8.134 556 HB2 GLN 75 HB2 GLN 75 -3.330 -10.352 8.073 557 HB3 GLN 75 HB1 GLN 75 -4.355 -10.192 9.488 558 HG2 GLN 75 HG2 GLN 75 -5.595 -12.187 8.806 559 HG3 GLN 75 HG1 GLN 75 -4.542 -12.348 7.398 560 HE21 GLN 75 HE21 GLN 75 -4.935 -14.221 9.573 561 HE22 GLN 75 HE22 GLN 75 -3.377 -14.435 10.329 562 H GLN 76 HN GLN 76 -4.175 -8.376 9.498 563 HA GLN 76 HA GLN 76 -4.042 -5.813 8.099 564 HB2 GLN 76 HB2 GLN 76 -4.775 -5.652 10.384 565 HB3 GLN 76 HB1 GLN 76 -3.444 -6.656 10.937 566 HG2 GLN 76 HG2 GLN 76 -1.867 -4.890 10.308 567 HG3 GLN 76 HG1 GLN 76 -3.219 -3.874 9.808 568 HE21 GLN 76 HE21 GLN 76 -1.553 -5.338 12.493 569 HE22 GLN 76 HE22 GLN 76 -2.291 -4.367 13.732 570 H LEU 77 HN LEU 77 -2.059 -4.917 7.457 571 HA LEU 77 HA LEU 77 0.371 -6.258 8.014 572 HB2 LEU 77 HB2 LEU 77 -0.630 -7.697 6.197 573 HB3 LEU 77 HB1 LEU 77 -0.567 -6.307 5.138 574 HG LEU 77 HG LEU 77 1.283 -8.072 4.936 575 HD11 LEU 77 HD11 LEU 77 2.041 -5.180 5.292 576 HD12 LEU 77 HD12 LEU 77 1.396 -5.917 3.826 577 HD13 LEU 77 HD13 LEU 77 2.981 -6.397 4.429 578 HD21 LEU 77 HD21 LEU 77 2.267 -6.631 7.396 579 HD22 LEU 77 HD22 LEU 77 3.188 -7.790 6.438 580 HD23 LEU 77 HD23 LEU 77 1.752 -8.316 7.315 581 H LEU 78 HN LEU 78 2.094 -4.809 7.574 582 HA LEU 78 HA LEU 78 1.045 -2.155 6.980 583 HB2 LEU 78 HB2 LEU 78 2.853 -1.169 8.251 584 HB3 LEU 78 HB1 LEU 78 1.976 -2.311 9.256 585 HG LEU 78 HG LEU 78 4.583 -3.008 7.898 586 HD11 LEU 78 HD11 LEU 78 4.137 -1.936 10.679 587 HD12 LEU 78 HD12 LEU 78 4.956 -1.101 9.359 588 HD13 LEU 78 HD13 LEU 78 5.660 -2.564 10.049 589 HD21 LEU 78 HD21 LEU 78 4.674 -4.748 9.623 590 HD22 LEU 78 HD22 LEU 78 3.237 -4.910 8.614 591 HD23 LEU 78 HD23 LEU 78 3.104 -4.223 10.232 592 H LEU 79 HN LEU 79 2.102 -0.920 5.424 593 HA LEU 79 HA LEU 79 3.909 -2.484 3.703 594 HB2 LEU 79 HB2 LEU 79 1.836 -0.438 2.925 595 HB3 LEU 79 HB1 LEU 79 3.046 -1.067 1.823 596 HG LEU 79 HG LEU 79 0.913 -2.714 3.188 597 HD11 LEU 79 HD11 LEU 79 -0.073 -2.874 0.956 598 HD12 LEU 79 HD12 LEU 79 1.157 -1.774 0.333 599 HD13 LEU 79 HD13 LEU 79 -0.019 -1.203 1.518 600 HD21 LEU 79 HD21 LEU 79 1.646 -4.479 1.642 601 HD22 LEU 79 HD22 LEU 79 2.924 -4.005 2.761 602 HD23 LEU 79 HD23 LEU 79 2.958 -3.437 1.092 603 HA PRO 80 HA PRO 80 6.659 0.934 4.357 604 HB2 PRO 80 HB2 PRO 80 8.765 -0.108 3.028 605 HB3 PRO 80 HB1 PRO 80 8.237 -0.709 4.602 606 HG2 PRO 80 HG2 PRO 80 7.987 -1.946 1.943 607 HG3 PRO 80 HG1 PRO 80 7.947 -2.703 3.546 608 HD2 PRO 80 HD2 PRO 80 5.737 -2.013 1.844 609 HD3 PRO 80 HD1 PRO 80 5.693 -2.785 3.440 610 H CYS 81 HN CYS 81 6.122 2.734 3.305 611 HA CYS 81 HA CYS 81 6.271 2.968 0.441 612 HB2 CYS 81 HB2 CYS 81 5.109 4.437 2.616 613 HB3 CYS 81 HB1 CYS 81 6.023 5.520 1.564 614 H THR 82 HN THR 82 8.128 3.035 -0.511 615 HA THR 82 HA THR 82 10.482 4.228 0.685 616 HB THR 82 HB THR 82 10.015 3.120 -2.098 617 HG1 THR 82 HG1 THR 82 10.317 1.240 -1.190 618 HG21 THR 82 HG21 THR 82 12.598 3.787 -0.678 619 HG22 THR 82 HG22 THR 82 11.896 4.691 -2.021 620 HG23 THR 82 HG23 THR 82 12.455 3.035 -2.267 621 HA PRO 83 HA PRO 83 9.541 8.269 -1.040 622 HB2 PRO 83 HB2 PRO 83 12.383 8.823 -0.507 623 HB3 PRO 83 HB1 PRO 83 10.947 9.621 0.142 624 HG2 PRO 83 HG2 PRO 83 12.488 8.032 1.666 625 HG3 PRO 83 HG1 PRO 83 10.728 8.111 1.875 626 HD2 PRO 83 HD2 PRO 83 12.379 6.035 0.480 627 HD3 PRO 83 HD1 PRO 83 10.978 5.825 1.555 628 H GLN 84 HN GLN 84 9.517 8.677 -3.152 629 HA GLN 84 HA GLN 84 10.874 7.360 -5.092 630 HB2 GLN 84 HB2 GLN 84 8.910 8.840 -5.434 631 HB3 GLN 84 HB1 GLN 84 9.971 10.238 -5.274 632 HG2 GLN 84 HG2 GLN 84 11.144 9.655 -7.273 633 HG3 GLN 84 HG1 GLN 84 10.278 8.124 -7.392 634 HE21 GLN 84 HE21 GLN 84 7.755 9.343 -6.545 635 HE22 GLN 84 HE22 GLN 84 7.177 10.232 -7.918 636 H LYS 85 HN LYS 85 12.781 7.585 -6.230 637 HA LYS 85 HA LYS 85 14.820 9.149 -4.816 638 HB2 LYS 85 HB2 LYS 85 15.177 6.662 -5.043 639 HB3 LYS 85 HB1 LYS 85 15.258 6.892 -6.784 640 HG2 LYS 85 HG2 LYS 85 17.486 6.760 -5.920 641 HG3 LYS 85 HG1 LYS 85 17.184 8.417 -6.447 642 HD2 LYS 85 HD2 LYS 85 18.328 8.489 -4.336 643 HD3 LYS 85 HD1 LYS 85 16.658 9.005 -4.085 644 HE2 LYS 85 HE2 LYS 85 16.159 6.612 -3.423 645 HE3 LYS 85 HE1 LYS 85 17.902 6.350 -3.400 646 HZ1 LYS 85 HZ1 LYS 85 17.122 6.865 -1.199 647 HZ2 LYS 85 HZ2 LYS 85 16.391 8.291 -1.744 648 HZ3 LYS 85 HZ3 LYS 85 18.078 8.151 -1.757 Start of MODEL 7 1 H1 VAL 1 HT1 VAL 1 -8.804 -22.908 -4.567 2 H2 VAL 1 HT2 VAL 1 -10.370 -23.224 -4.000 3 H3 VAL 1 HT3 VAL 1 -9.149 -22.773 -2.911 4 HA VAL 1 HA VAL 1 -10.273 -21.076 -5.063 5 HB VAL 1 HB VAL 1 -11.187 -19.684 -3.292 6 HG11 VAL 1 HG11 VAL 1 -12.924 -21.196 -2.422 7 HG12 VAL 1 HG12 VAL 1 -11.982 -22.574 -2.994 8 HG13 VAL 1 HG13 VAL 1 -12.632 -21.412 -4.149 9 HG21 VAL 1 HG21 VAL 1 -9.534 -20.096 -1.560 10 HG22 VAL 1 HG22 VAL 1 -10.119 -21.750 -1.373 11 HG23 VAL 1 HG23 VAL 1 -11.161 -20.392 -0.947 12 H LEU 2 HN LEU 2 -9.564 -18.791 -4.794 13 HA LEU 2 HA LEU 2 -6.697 -18.748 -4.227 14 HB2 LEU 2 HB2 LEU 2 -8.461 -16.746 -5.637 15 HB3 LEU 2 HB1 LEU 2 -6.725 -16.596 -5.444 16 HG LEU 2 HG LEU 2 -8.133 -18.766 -7.000 17 HD11 LEU 2 HD11 LEU 2 -8.261 -16.583 -8.084 18 HD12 LEU 2 HD12 LEU 2 -7.190 -17.675 -8.961 19 HD13 LEU 2 HD13 LEU 2 -6.512 -16.408 -7.939 20 HD21 LEU 2 HD21 LEU 2 -6.053 -19.547 -5.986 21 HD22 LEU 2 HD22 LEU 2 -5.195 -18.171 -6.678 22 HD23 LEU 2 HD23 LEU 2 -5.891 -19.397 -7.737 23 H LYS 3 HN LYS 3 -9.151 -16.216 -3.948 24 HA LYS 3 HA LYS 3 -9.660 -14.713 -2.340 25 HB2 LYS 3 HB2 LYS 3 -9.788 -16.993 -0.979 26 HB3 LYS 3 HB1 LYS 3 -8.375 -16.320 -0.175 27 HG2 LYS 3 HG2 LYS 3 -10.334 -15.755 1.085 28 HG3 LYS 3 HG1 LYS 3 -9.690 -14.287 0.343 29 HD2 LYS 3 HD2 LYS 3 -11.344 -14.624 -1.520 30 HD3 LYS 3 HD1 LYS 3 -12.064 -15.913 -0.554 31 HE2 LYS 3 HE2 LYS 3 -13.335 -13.927 -0.180 32 HE3 LYS 3 HE1 LYS 3 -12.396 -14.251 1.278 33 HZ1 LYS 3 HZ1 LYS 3 -12.425 -11.880 0.492 34 HZ2 LYS 3 HZ2 LYS 3 -11.484 -12.372 -0.827 35 HZ3 LYS 3 HZ3 LYS 3 -10.885 -12.539 0.749 36 H GLY 4 HN GLY 4 -8.203 -13.942 -0.036 37 HA2 GLY 4 HA2 GLY 4 -6.210 -12.925 0.651 38 HA3 GLY 4 HA1 GLY 4 -5.427 -13.517 -0.815 39 H LYS 5 HN LYS 5 -4.672 -11.153 -0.808 40 HA LYS 5 HA LYS 5 -4.716 -9.114 -1.566 41 HB2 LYS 5 HB2 LYS 5 -5.815 -10.591 -3.954 42 HB3 LYS 5 HB1 LYS 5 -5.390 -8.890 -4.006 43 HG2 LYS 5 HG2 LYS 5 -3.611 -10.232 -4.931 44 HG3 LYS 5 HG1 LYS 5 -3.075 -9.454 -3.448 45 HD2 LYS 5 HD2 LYS 5 -3.476 -11.571 -2.235 46 HD3 LYS 5 HD1 LYS 5 -3.930 -12.329 -3.763 47 HE2 LYS 5 HE2 LYS 5 -1.264 -11.009 -3.308 48 HE3 LYS 5 HE1 LYS 5 -1.557 -12.718 -2.990 49 HZ1 LYS 5 HZ1 LYS 5 -1.993 -13.120 -5.246 50 HZ2 LYS 5 HZ2 LYS 5 -0.597 -12.153 -5.229 51 HZ3 LYS 5 HZ3 LYS 5 -2.098 -11.473 -5.624 52 H ARG 6 HN ARG 6 -6.764 -9.391 0.062 53 HA ARG 6 HA ARG 6 -7.266 -6.721 -0.387 54 HB2 ARG 6 HB2 ARG 6 -9.182 -7.285 -1.554 55 HB3 ARG 6 HB1 ARG 6 -9.629 -8.580 -0.427 56 HG2 ARG 6 HG2 ARG 6 -9.633 -5.625 0.183 57 HG3 ARG 6 HG1 ARG 6 -11.029 -6.545 -0.339 58 HD2 ARG 6 HD2 ARG 6 -9.475 -7.150 2.164 59 HD3 ARG 6 HD1 ARG 6 -10.895 -6.100 2.126 60 HE ARG 6 HE ARG 6 -11.981 -8.235 1.116 61 HH11 ARG 6 HH11 ARG 6 -9.525 -8.164 3.607 62 HH12 ARG 6 HH12 ARG 6 -10.143 -9.557 4.446 63 HH21 ARG 6 HH21 ARG 6 -12.810 -10.055 2.214 64 HH22 ARG 6 HH22 ARG 6 -11.988 -10.652 3.628 65 H LEU 7 HN LEU 7 -7.297 -5.728 1.503 66 HA LEU 7 HA LEU 7 -6.531 -7.389 3.582 67 HB2 LEU 7 HB2 LEU 7 -4.251 -5.913 3.505 68 HB3 LEU 7 HB1 LEU 7 -4.401 -7.605 3.083 69 HG LEU 7 HG LEU 7 -3.232 -6.243 1.407 70 HD11 LEU 7 HD11 LEU 7 -4.149 -8.360 0.937 71 HD12 LEU 7 HD12 LEU 7 -4.162 -7.278 -0.454 72 HD13 LEU 7 HD13 LEU 7 -5.648 -7.574 0.444 73 HD21 LEU 7 HD21 LEU 7 -5.883 -4.895 1.063 74 HD22 LEU 7 HD22 LEU 7 -4.548 -4.769 -0.079 75 HD23 LEU 7 HD23 LEU 7 -4.371 -4.143 1.558 76 H PHE 8 HN PHE 8 -5.186 -5.858 5.139 77 HA PHE 8 HA PHE 8 -6.699 -3.369 5.371 78 HB2 PHE 8 HB2 PHE 8 -5.641 -4.674 7.860 79 HB3 PHE 8 HB1 PHE 8 -6.958 -3.520 7.686 80 HD1 PHE 8 HD1 PHE 8 -8.372 -5.268 5.450 81 HD2 PHE 8 HD2 PHE 8 -6.877 -6.082 9.353 82 HE1 PHE 8 HE1 PHE 8 -9.991 -7.104 5.689 83 HE2 PHE 8 HE2 PHE 8 -8.492 -7.918 9.590 84 HZ PHE 8 HZ PHE 8 -10.049 -8.433 7.757 85 H ALA 9 HN ALA 9 -5.062 -2.213 4.412 86 HA ALA 9 HA ALA 9 -2.320 -3.108 4.911 87 HB1 ALA 9 HB1 ALA 9 -3.052 -3.009 2.575 88 HB2 ALA 9 HB2 ALA 9 -1.726 -1.891 2.895 89 HB3 ALA 9 HB3 ALA 9 -3.378 -1.286 2.755 90 H ILE 10 HN ILE 10 -1.201 -2.065 6.359 91 HA ILE 10 HA ILE 10 -1.840 0.744 6.942 92 HB ILE 10 HB ILE 10 -0.014 -1.116 8.486 93 HG12 ILE 10 HG12 ILE 10 -2.830 -0.213 9.142 94 HG13 ILE 10 HG11 ILE 10 -2.398 -1.819 8.563 95 HG21 ILE 10 HG21 ILE 10 0.560 1.243 8.722 96 HG22 ILE 10 HG22 ILE 10 -0.118 0.612 10.224 97 HG23 ILE 10 HG23 ILE 10 -1.107 1.616 9.162 98 HD11 ILE 10 HD11 ILE 10 -1.487 -0.575 11.150 99 HD12 ILE 10 HD12 ILE 10 -1.070 -2.188 10.571 100 HD13 ILE 10 HD13 ILE 10 -2.743 -1.799 10.968 101 H LEU 11 HN LEU 11 -0.601 2.123 5.708 102 HA LEU 11 HA LEU 11 1.803 1.007 4.516 103 HB2 LEU 11 HB2 LEU 11 -0.076 3.130 3.496 104 HB3 LEU 11 HB1 LEU 11 1.564 2.982 2.907 105 HG LEU 11 HG LEU 11 0.184 1.927 1.316 106 HD11 LEU 11 HD11 LEU 11 1.386 -0.222 3.047 107 HD12 LEU 11 HD12 LEU 11 2.223 0.713 1.808 108 HD13 LEU 11 HD13 LEU 11 0.926 -0.392 1.352 109 HD21 LEU 11 HD21 LEU 11 -1.397 0.135 1.873 110 HD22 LEU 11 HD22 LEU 11 -1.830 1.673 2.616 111 HD23 LEU 11 HD23 LEU 11 -1.081 0.406 3.587 112 H ARG 12 HN ARG 12 3.590 1.841 5.288 113 HA ARG 12 HA ARG 12 3.615 4.694 6.135 114 HB2 ARG 12 HB2 ARG 12 3.516 3.110 8.045 115 HB3 ARG 12 HB1 ARG 12 5.054 2.432 7.506 116 HG2 ARG 12 HG2 ARG 12 6.238 4.241 8.140 117 HG3 ARG 12 HG1 ARG 12 4.915 5.360 7.800 118 HD2 ARG 12 HD2 ARG 12 5.098 5.391 10.086 119 HD3 ARG 12 HD1 ARG 12 3.756 4.299 9.800 120 HE ARG 12 HE ARG 12 5.815 2.590 9.931 121 HH11 ARG 12 HH11 ARG 12 4.998 5.278 12.025 122 HH12 ARG 12 HH12 ARG 12 5.534 4.471 13.469 123 HH21 ARG 12 HH21 ARG 12 6.544 1.549 11.797 124 HH22 ARG 12 HH22 ARG 12 6.435 2.342 13.343 125 H LEU 13 HN LEU 13 5.436 5.844 5.428 126 HA LEU 13 HA LEU 13 7.288 4.234 3.881 127 HB2 LEU 13 HB2 LEU 13 8.120 6.307 2.796 128 HB3 LEU 13 HB1 LEU 13 6.535 5.764 2.298 129 HG LEU 13 HG LEU 13 6.889 8.038 4.252 130 HD11 LEU 13 HD11 LEU 13 8.161 8.513 2.232 131 HD12 LEU 13 HD12 LEU 13 6.691 9.490 2.272 132 HD13 LEU 13 HD13 LEU 13 6.772 8.052 1.245 133 HD21 LEU 13 HD21 LEU 13 4.615 7.019 4.010 134 HD22 LEU 13 HD22 LEU 13 4.678 7.381 2.288 135 HD23 LEU 13 HD23 LEU 13 4.674 8.696 3.463 136 H ALA 14 HN ALA 14 8.905 3.730 4.910 137 HA ALA 14 HA ALA 14 9.442 4.413 7.500 138 HB1 ALA 14 HB1 ALA 14 11.387 3.178 5.564 139 HB2 ALA 14 HB2 ALA 14 10.105 2.318 6.416 140 HB3 ALA 14 HB3 ALA 14 11.426 3.052 7.324 141 H ASP 15 HN ASP 15 10.581 6.168 4.735 142 HA ASP 15 HA ASP 15 12.699 7.464 5.797 143 HB2 ASP 15 HB2 ASP 15 11.733 7.795 3.496 144 HB3 ASP 15 HB1 ASP 15 10.550 8.890 4.219 145 H GLY 16 HN GLY 16 9.400 7.823 6.803 146 HA2 GLY 16 HA2 GLY 16 9.394 8.368 9.316 147 HA3 GLY 16 HA1 GLY 16 10.324 9.776 8.790 148 H SER 17 HN SER 17 7.686 8.235 7.058 149 HA SER 17 HA SER 17 6.008 10.507 7.450 150 HB2 SER 17 HB2 SER 17 7.204 9.922 4.734 151 HB3 SER 17 HB1 SER 17 5.803 10.957 4.991 152 HG SER 17 HG SER 17 8.486 11.412 5.557 153 H GLN 18 HN GLN 18 3.980 10.190 5.981 154 HA GLN 18 HA GLN 18 3.338 7.315 6.109 155 HB2 GLN 18 HB2 GLN 18 2.209 9.419 7.556 156 HB3 GLN 18 HB1 GLN 18 1.041 9.000 6.297 157 HG2 GLN 18 HG2 GLN 18 1.001 6.720 7.076 158 HG3 GLN 18 HG1 GLN 18 2.335 7.040 8.187 159 HE21 GLN 18 HE21 GLN 18 1.256 9.635 8.996 160 HE22 GLN 18 HE22 GLN 18 -0.086 9.279 10.052 161 HA PRO 19 HA PRO 19 1.288 8.142 2.217 162 HB2 PRO 19 HB2 PRO 19 0.217 5.448 2.480 163 HB3 PRO 19 HB1 PRO 19 1.292 6.072 1.223 164 HG2 PRO 19 HG2 PRO 19 2.086 4.250 3.080 165 HG3 PRO 19 HG1 PRO 19 3.188 5.426 2.339 166 HD2 PRO 19 HD2 PRO 19 1.843 5.513 5.017 167 HD3 PRO 19 HD1 PRO 19 3.509 5.953 4.578 168 HA PRO 20 HA PRO 20 -1.870 8.777 5.242 169 HB2 PRO 20 HB2 PRO 20 -1.889 11.363 5.010 170 HB3 PRO 20 HB1 PRO 20 -0.344 10.589 5.326 171 HG2 PRO 20 HG2 PRO 20 -1.430 11.667 2.762 172 HG3 PRO 20 HG1 PRO 20 0.211 11.777 3.424 173 HD2 PRO 20 HD2 PRO 20 -0.790 9.814 1.621 174 HD3 PRO 20 HD1 PRO 20 0.800 9.835 2.423 175 H PHE 21 HN PHE 21 -3.812 10.703 4.951 176 HA PHE 21 HA PHE 21 -5.919 9.263 4.091 177 HB2 PHE 21 HB2 PHE 21 -5.683 11.507 5.358 178 HB3 PHE 21 HB1 PHE 21 -5.936 12.190 3.777 179 HD1 PHE 21 HD1 PHE 21 -8.034 10.947 2.495 180 HD2 PHE 21 HD2 PHE 21 -7.510 11.434 6.692 181 HE1 PHE 21 HE1 PHE 21 -10.461 10.734 2.825 182 HE2 PHE 21 HE2 PHE 21 -9.936 11.225 7.022 183 HZ PHE 21 HZ PHE 21 -11.415 10.873 5.088 184 H GLY 22 HN GLY 22 -5.582 8.234 2.074 185 HA2 GLY 22 HA2 GLY 22 -6.910 8.343 -0.013 186 HA3 GLY 22 HA1 GLY 22 -6.191 9.926 -0.232 187 H ALA 23 HN ALA 23 -4.058 7.747 1.265 188 HA ALA 23 HA ALA 23 -2.333 7.634 -0.731 189 HB1 ALA 23 HB1 ALA 23 -1.771 6.978 1.520 190 HB2 ALA 23 HB2 ALA 23 -1.161 5.847 0.314 191 HB3 ALA 23 HB3 ALA 23 -2.600 5.444 1.255 192 H SER 24 HN SER 24 -3.447 7.349 -2.582 193 HA SER 24 HA SER 24 -4.679 5.019 -3.438 194 HB2 SER 24 HB2 SER 24 -3.509 7.441 -4.648 195 HB3 SER 24 HB1 SER 24 -3.693 6.080 -5.755 196 HG SER 24 HG SER 24 -5.784 7.019 -4.062 197 H VAL 25 HN VAL 25 -3.507 3.077 -3.080 198 HA VAL 25 HA VAL 25 -0.780 3.049 -4.051 199 HB VAL 25 HB VAL 25 -0.315 1.045 -2.959 200 HG11 VAL 25 HG11 VAL 25 -2.007 2.713 -1.117 201 HG12 VAL 25 HG12 VAL 25 -0.292 2.938 -1.464 202 HG13 VAL 25 HG13 VAL 25 -0.835 1.502 -0.595 203 HG21 VAL 25 HG21 VAL 25 -2.145 -0.059 -1.506 204 HG22 VAL 25 HG22 VAL 25 -2.041 -0.427 -3.228 205 HG23 VAL 25 HG23 VAL 25 -3.246 0.719 -2.644 206 H THR 26 HN THR 26 -0.432 2.556 -6.054 207 HA THR 26 HA THR 26 -2.113 0.529 -7.288 208 HB THR 26 HB THR 26 -3.438 2.221 -8.096 209 HG1 THR 26 HG1 THR 26 -2.670 2.694 -10.288 210 HG21 THR 26 HG21 THR 26 -1.013 3.983 -8.399 211 HG22 THR 26 HG22 THR 26 -2.254 4.116 -7.152 212 HG23 THR 26 HG23 THR 26 -2.660 4.432 -8.838 213 H SER 27 HN SER 27 -0.899 -0.648 -8.817 214 HA SER 27 HA SER 27 1.927 -0.093 -8.331 215 HB2 SER 27 HB2 SER 27 0.502 -2.682 -8.870 216 HB3 SER 27 HB1 SER 27 2.255 -2.517 -8.923 217 HG SER 27 HG SER 27 2.318 -2.410 -6.830 218 H GLU 28 HN GLU 28 3.040 -1.552 -10.319 219 HA GLU 28 HA GLU 28 3.778 0.069 -12.142 220 HB2 GLU 28 HB2 GLU 28 4.261 -2.400 -12.019 221 HB3 GLU 28 HB1 GLU 28 2.895 -2.638 -13.095 222 HG2 GLU 28 HG2 GLU 28 3.973 -1.305 -14.805 223 HG3 GLU 28 HG1 GLU 28 5.327 -0.986 -13.720 224 H LYS 29 HN LYS 29 1.084 -1.955 -13.349 225 HA LYS 29 HA LYS 29 0.637 -0.027 -15.399 226 HB2 LYS 29 HB2 LYS 29 -0.971 -1.662 -16.285 227 HB3 LYS 29 HB1 LYS 29 0.582 -2.393 -15.904 228 HG2 LYS 29 HG2 LYS 29 -0.354 -3.247 -13.798 229 HG3 LYS 29 HG1 LYS 29 -1.917 -2.552 -14.229 230 HD2 LYS 29 HD2 LYS 29 -0.433 -4.633 -15.833 231 HD3 LYS 29 HD1 LYS 29 -1.776 -4.962 -14.739 232 HE2 LYS 29 HE2 LYS 29 -3.241 -3.577 -16.106 233 HE3 LYS 29 HE1 LYS 29 -1.898 -3.199 -17.185 234 HZ1 LYS 29 HZ1 LYS 29 -3.281 -4.942 -18.102 235 HZ2 LYS 29 HZ2 LYS 29 -3.052 -5.900 -16.719 236 HZ3 LYS 29 HZ3 LYS 29 -1.741 -5.551 -17.737 237 H GLY 30 HN GLY 30 -0.794 -0.430 -12.342 238 HA2 GLY 30 HA2 GLY 30 -2.159 1.566 -11.680 239 HA3 GLY 30 HA1 GLY 30 -3.068 1.217 -13.138 240 H ARG 31 HN ARG 31 -1.591 -0.899 -10.830 241 HA ARG 31 HA ARG 31 -4.023 -2.462 -10.678 242 HB2 ARG 31 HB2 ARG 31 -1.261 -2.888 -9.504 243 HB3 ARG 31 HB1 ARG 31 -2.629 -3.966 -9.234 244 HG2 ARG 31 HG2 ARG 31 -2.698 -4.571 -11.544 245 HG3 ARG 31 HG1 ARG 31 -1.521 -3.325 -11.958 246 HD2 ARG 31 HD2 ARG 31 -0.355 -5.382 -11.943 247 HD3 ARG 31 HD1 ARG 31 0.110 -4.530 -10.473 248 HE ARG 31 HE ARG 31 -2.049 -6.489 -10.278 249 HH11 ARG 31 HH11 ARG 31 1.289 -5.635 -9.708 250 HH12 ARG 31 HH12 ARG 31 1.593 -6.950 -8.615 251 HH21 ARG 31 HH21 ARG 31 -1.671 -8.253 -8.835 252 HH22 ARG 31 HH22 ARG 31 -0.085 -8.454 -8.142 253 H GLU 32 HN GLU 32 -5.461 -1.604 -9.143 254 HA GLU 32 HA GLU 32 -4.255 0.398 -7.410 255 HB2 GLU 32 HB2 GLU 32 -7.158 0.259 -8.191 256 HB3 GLU 32 HB1 GLU 32 -6.316 1.594 -7.411 257 HG2 GLU 32 HG2 GLU 32 -4.884 1.720 -9.524 258 HG3 GLU 32 HG1 GLU 32 -6.075 0.639 -10.243 259 H LEU 33 HN LEU 33 -3.800 -0.627 -5.573 260 HA LEU 33 HA LEU 33 -5.687 -2.701 -4.630 261 HB2 LEU 33 HB2 LEU 33 -2.756 -2.483 -3.989 262 HB3 LEU 33 HB1 LEU 33 -3.860 -3.738 -3.498 263 HG LEU 33 HG LEU 33 -2.822 -4.859 -5.175 264 HD11 LEU 33 HD11 LEU 33 -3.987 -4.767 -7.305 265 HD12 LEU 33 HD12 LEU 33 -4.715 -3.227 -6.849 266 HD13 LEU 33 HD13 LEU 33 -5.121 -4.691 -5.956 267 HD21 LEU 33 HD21 LEU 33 -1.726 -3.824 -7.075 268 HD22 LEU 33 HD22 LEU 33 -1.209 -3.092 -5.556 269 HD23 LEU 33 HD23 LEU 33 -2.363 -2.253 -6.593 270 H GLY 34 HN GLY 34 -4.528 0.367 -3.876 271 HA2 GLY 34 HA2 GLY 34 -5.998 0.148 -1.345 272 HA3 GLY 34 HA1 GLY 34 -4.289 0.527 -1.253 273 H MET 35 HN MET 35 -6.614 2.025 -0.371 274 HA MET 35 HA MET 35 -5.441 4.560 -1.167 275 HB2 MET 35 HB2 MET 35 -8.454 4.346 -0.979 276 HB3 MET 35 HB1 MET 35 -7.490 5.746 -1.440 277 HG2 MET 35 HG2 MET 35 -6.961 4.856 -3.512 278 HG3 MET 35 HG1 MET 35 -7.463 3.223 -3.022 279 HE1 MET 35 HE1 MET 35 -8.340 4.718 -5.792 280 HE2 MET 35 HE2 MET 35 -10.015 4.172 -5.868 281 HE3 MET 35 HE3 MET 35 -8.749 3.059 -5.352 282 H VAL 36 HN VAL 36 -4.701 5.181 0.849 283 HA VAL 36 HA VAL 36 -5.894 3.733 3.069 284 HB VAL 36 HB VAL 36 -4.097 4.283 4.390 285 HG11 VAL 36 HG11 VAL 36 -3.433 2.764 2.683 286 HG12 VAL 36 HG12 VAL 36 -2.083 3.811 3.122 287 HG13 VAL 36 HG13 VAL 36 -2.981 4.108 1.634 288 HG21 VAL 36 HG21 VAL 36 -2.395 6.008 3.874 289 HG22 VAL 36 HG22 VAL 36 -3.989 6.614 4.327 290 HG23 VAL 36 HG23 VAL 36 -3.502 6.605 2.633 291 H ALA 37 HN ALA 37 -7.588 4.548 4.183 292 HA ALA 37 HA ALA 37 -8.053 7.434 3.856 293 HB1 ALA 37 HB1 ALA 37 -10.144 5.346 4.449 294 HB2 ALA 37 HB2 ALA 37 -9.873 6.111 2.882 295 HB3 ALA 37 HB3 ALA 37 -10.408 7.080 4.253 296 H ASP 38 HN ASP 38 -7.564 8.530 5.546 297 HA ASP 38 HA ASP 38 -7.403 9.283 7.668 298 HB2 ASP 38 HB2 ASP 38 -9.607 8.440 8.216 299 HB3 ASP 38 HB1 ASP 38 -8.985 6.802 8.387 300 H GLU 39 HN GLU 39 -5.513 9.321 8.560 301 HA GLU 39 HA GLU 39 -3.500 8.774 9.389 302 HB2 GLU 39 HB2 GLU 39 -4.800 6.096 9.912 303 HB3 GLU 39 HB1 GLU 39 -3.241 6.614 10.552 304 HG2 GLU 39 HG2 GLU 39 -5.812 8.080 11.067 305 HG3 GLU 39 HG1 GLU 39 -5.176 6.823 12.126 306 H GLY 40 HN GLY 40 -3.667 5.421 8.589 307 HA2 GLY 40 HA2 GLY 40 -2.489 5.754 5.947 308 HA3 GLY 40 HA1 GLY 40 -1.392 5.236 7.226 309 H LEU 41 HN LEU 41 -4.789 4.357 6.662 310 HA LEU 41 HA LEU 41 -3.909 1.588 6.170 311 HB2 LEU 41 HB2 LEU 41 -4.838 2.266 8.516 312 HB3 LEU 41 HB1 LEU 41 -6.390 2.267 7.713 313 HG LEU 41 HG LEU 41 -4.560 -0.134 7.833 314 HD11 LEU 41 HD11 LEU 41 -6.976 0.512 9.516 315 HD12 LEU 41 HD12 LEU 41 -5.302 0.516 10.070 316 HD13 LEU 41 HD13 LEU 41 -6.054 -0.991 9.550 317 HD21 LEU 41 HD21 LEU 41 -7.466 0.125 7.068 318 HD22 LEU 41 HD22 LEU 41 -6.550 -1.380 7.171 319 HD23 LEU 41 HD23 LEU 41 -6.126 -0.170 5.961 320 H ALA 42 HN ALA 42 -4.776 0.672 4.409 321 HA ALA 42 HA ALA 42 -7.160 1.939 3.213 322 HB1 ALA 42 HB1 ALA 42 -5.070 0.435 1.646 323 HB2 ALA 42 HB2 ALA 42 -5.053 2.186 1.850 324 HB3 ALA 42 HB3 ALA 42 -6.402 1.413 1.010 325 H TRP 43 HN TRP 43 -8.869 0.641 2.833 326 HA TRP 43 HA TRP 43 -8.721 -2.141 3.744 327 HB2 TRP 43 HB2 TRP 43 -10.949 -0.265 3.110 328 HB3 TRP 43 HB1 TRP 43 -11.209 -1.966 3.517 329 HD1 TRP 43 HD1 TRP 43 -10.083 1.327 5.073 330 HE1 TRP 43 HE1 TRP 43 -9.718 0.940 7.588 331 HE3 TRP 43 HE3 TRP 43 -10.852 -3.702 5.212 332 HZ2 TRP 43 HZ2 TRP 43 -9.710 -1.220 9.283 333 HZ3 TRP 43 HZ3 TRP 43 -10.661 -4.862 7.373 334 HH2 TRP 43 HH2 TRP 43 -10.115 -3.625 9.405 335 H LEU 44 HN LEU 44 -7.707 -2.990 1.714 336 HA LEU 44 HA LEU 44 -9.138 -2.486 -0.811 337 HB2 LEU 44 HB2 LEU 44 -6.814 -1.040 0.084 338 HB3 LEU 44 HB1 LEU 44 -6.517 -1.873 -1.431 339 HG LEU 44 HG LEU 44 -7.485 0.632 -1.290 340 HD11 LEU 44 HD11 LEU 44 -6.768 -0.236 -3.350 341 HD12 LEU 44 HD12 LEU 44 -8.452 0.276 -3.582 342 HD13 LEU 44 HD13 LEU 44 -8.076 -1.437 -3.383 343 HD21 LEU 44 HD21 LEU 44 -9.948 -1.045 -1.560 344 HD22 LEU 44 HD22 LEU 44 -9.830 0.705 -1.750 345 HD23 LEU 44 HD23 LEU 44 -9.541 -0.034 -0.175 346 H SER 45 HN SER 45 -6.499 -3.587 -2.195 347 HA SER 45 HA SER 45 -7.367 -6.177 -1.742 348 HB2 SER 45 HB2 SER 45 -7.751 -6.660 -4.161 349 HB3 SER 45 HB1 SER 45 -9.005 -5.658 -3.428 350 HG SER 45 HG SER 45 -8.491 -4.072 -4.712 351 H GLY 46 HN GLY 46 -5.254 -6.265 -0.897 352 HA2 GLY 46 HA2 GLY 46 -3.156 -4.844 -2.051 353 HA3 GLY 46 HA1 GLY 46 -2.935 -6.207 -0.968 354 H VAL 47 HN VAL 47 -0.904 -6.049 -2.348 355 HA VAL 47 HA VAL 47 -1.162 -7.500 -4.889 356 HB VAL 47 HB VAL 47 1.444 -6.813 -4.868 357 HG11 VAL 47 HG11 VAL 47 0.819 -4.965 -6.369 358 HG12 VAL 47 HG12 VAL 47 -0.855 -5.134 -5.839 359 HG13 VAL 47 HG13 VAL 47 -0.067 -6.451 -6.708 360 HG21 VAL 47 HG21 VAL 47 1.652 -4.490 -4.123 361 HG22 VAL 47 HG22 VAL 47 1.279 -5.569 -2.778 362 HG23 VAL 47 HG23 VAL 47 0.014 -4.553 -3.472 363 H THR 48 HN THR 48 1.159 -8.644 -5.259 364 HA THR 48 HA THR 48 1.192 -10.768 -3.245 365 HB THR 48 HB THR 48 2.726 -10.687 -5.846 366 HG1 THR 48 HG1 THR 48 0.865 -10.923 -6.817 367 HG21 THR 48 HG21 THR 48 3.432 -12.372 -4.197 368 HG22 THR 48 HG22 THR 48 2.727 -13.113 -5.631 369 HG23 THR 48 HG23 THR 48 1.784 -12.998 -4.145 370 HA PRO 49 HA PRO 49 4.835 -9.112 -1.240 371 HB2 PRO 49 HB2 PRO 49 5.601 -11.992 -1.135 372 HB3 PRO 49 HB1 PRO 49 5.551 -10.792 0.163 373 HG2 PRO 49 HG2 PRO 49 3.656 -12.649 -0.044 374 HG3 PRO 49 HG1 PRO 49 3.256 -10.984 0.434 375 HD2 PRO 49 HD2 PRO 49 2.828 -12.366 -2.177 376 HD3 PRO 49 HD1 PRO 49 1.830 -11.142 -1.364 377 H GLY 50 HN GLY 50 6.556 -8.235 -2.278 378 HA2 GLY 50 HA2 GLY 50 8.709 -8.690 -3.280 379 HA3 GLY 50 HA1 GLY 50 7.935 -9.931 -4.265 380 H GLU 51 HN GLU 51 7.101 -6.451 -3.713 381 HA GLU 51 HA GLU 51 7.260 -6.091 -6.560 382 HB2 GLU 51 HB2 GLU 51 4.585 -5.670 -5.234 383 HB3 GLU 51 HB1 GLU 51 4.995 -5.237 -6.883 384 HG2 GLU 51 HG2 GLU 51 5.535 -7.742 -7.151 385 HG3 GLU 51 HG1 GLU 51 4.589 -7.903 -5.674 386 H THR 52 HN THR 52 5.990 -3.768 -6.924 387 HA THR 52 HA THR 52 6.509 -2.075 -4.621 388 HB THR 52 HB THR 52 7.211 -1.426 -7.496 389 HG1 THR 52 HG1 THR 52 8.692 -2.400 -5.319 390 HG21 THR 52 HG21 THR 52 8.281 0.580 -6.587 391 HG22 THR 52 HG22 THR 52 7.720 0.150 -4.971 392 HG23 THR 52 HG23 THR 52 6.554 0.563 -6.229 393 H LEU 53 HN LEU 53 4.858 -0.681 -4.106 394 HA LEU 53 HA LEU 53 2.590 -0.508 -5.969 395 HB2 LEU 53 HB2 LEU 53 3.078 0.349 -3.126 396 HB3 LEU 53 HB1 LEU 53 1.691 0.921 -4.024 397 HG LEU 53 HG LEU 53 2.275 -1.988 -3.568 398 HD11 LEU 53 HD11 LEU 53 0.391 -0.179 -2.090 399 HD12 LEU 53 HD12 LEU 53 1.854 -0.918 -1.436 400 HD13 LEU 53 HD13 LEU 53 0.492 -1.931 -1.920 401 HD21 LEU 53 HD21 LEU 53 0.890 -1.561 -5.492 402 HD22 LEU 53 HD22 LEU 53 -0.116 -0.453 -4.557 403 HD23 LEU 53 HD23 LEU 53 -0.126 -2.182 -4.189 404 H SER 54 HN SER 54 1.988 1.454 -7.010 405 HA SER 54 HA SER 54 3.692 3.736 -6.416 406 HB2 SER 54 HB2 SER 54 3.343 2.694 -8.841 407 HB3 SER 54 HB1 SER 54 1.916 3.736 -8.804 408 HG SER 54 HG SER 54 3.908 4.685 -9.670 409 H VAL 55 HN VAL 55 2.859 5.324 -5.219 410 HA VAL 55 HA VAL 55 0.021 4.916 -4.602 411 HB VAL 55 HB VAL 55 2.218 5.576 -2.675 412 HG11 VAL 55 HG11 VAL 55 -0.623 4.724 -2.225 413 HG12 VAL 55 HG12 VAL 55 0.070 6.310 -1.879 414 HG13 VAL 55 HG13 VAL 55 0.597 4.895 -0.964 415 HG21 VAL 55 HG21 VAL 55 2.020 3.225 -1.938 416 HG22 VAL 55 HG22 VAL 55 2.694 3.427 -3.560 417 HG23 VAL 55 HG23 VAL 55 1.009 2.922 -3.353 418 H ASN 56 HN ASN 56 -1.091 6.613 -5.130 419 HA ASN 56 HA ASN 56 0.132 9.230 -5.441 420 HB2 ASN 56 HB2 ASN 56 -2.627 8.149 -6.031 421 HB3 ASN 56 HB1 ASN 56 -2.286 9.876 -6.065 422 HD21 ASN 56 HD21 ASN 56 -1.832 6.830 -7.615 423 HD22 ASN 56 HD22 ASN 56 -1.151 7.455 -9.096 424 H TRP 57 HN TRP 57 -0.241 10.925 -4.232 425 HA TRP 57 HA TRP 57 -2.052 10.780 -1.993 426 HB2 TRP 57 HB2 TRP 57 -0.206 9.888 -0.968 427 HB3 TRP 57 HB1 TRP 57 0.906 10.741 -2.017 428 HD1 TRP 57 HD1 TRP 57 -1.442 13.070 -0.273 429 HE1 TRP 57 HE1 TRP 57 -0.190 14.299 1.581 430 HE3 TRP 57 HE3 TRP 57 2.760 10.161 -0.056 431 HZ2 TRP 57 HZ2 TRP 57 2.156 14.052 2.898 432 HZ3 TRP 57 HZ3 TRP 57 4.456 10.770 1.625 433 HH2 TRP 57 HH2 TRP 57 4.165 12.677 3.085 434 H ASP 58 HN ASP 58 -2.802 12.744 -1.232 435 HA ASP 58 HA ASP 58 -3.368 14.922 -2.410 436 HB2 ASP 58 HB2 ASP 58 -2.289 14.559 0.302 437 HB3 ASP 58 HB1 ASP 58 -2.336 16.223 -0.277 438 H GLY 59 HN GLY 59 -0.005 15.161 -0.911 439 HA2 GLY 59 HA2 GLY 59 0.719 17.265 -2.418 440 HA3 GLY 59 HA1 GLY 59 1.882 16.027 -1.954 441 H LYS 60 HN LYS 60 0.724 13.972 -3.683 442 HA LYS 60 HA LYS 60 0.851 14.377 -6.382 443 HB2 LYS 60 HB2 LYS 60 3.252 14.145 -6.874 444 HB3 LYS 60 HB1 LYS 60 2.955 15.621 -5.951 445 HG2 LYS 60 HG2 LYS 60 3.274 13.794 -3.966 446 HG3 LYS 60 HG1 LYS 60 4.395 13.190 -5.216 447 HD2 LYS 60 HD2 LYS 60 4.457 16.104 -4.570 448 HD3 LYS 60 HD1 LYS 60 5.214 14.971 -3.450 449 HE2 LYS 60 HE2 LYS 60 6.866 15.796 -5.002 450 HE3 LYS 60 HE1 LYS 60 6.573 14.088 -5.306 451 HZ1 LYS 60 HZ1 LYS 60 5.267 16.248 -6.867 452 HZ2 LYS 60 HZ2 LYS 60 5.344 14.594 -7.241 453 HZ3 LYS 60 HZ3 LYS 60 6.744 15.545 -7.314 454 H ILE 61 HN ILE 61 2.786 12.332 -7.035 455 HA ILE 61 HA ILE 61 1.608 10.109 -5.593 456 HB ILE 61 HB ILE 61 1.491 10.024 -8.190 457 HG12 ILE 61 HG12 ILE 61 2.738 7.767 -6.617 458 HG13 ILE 61 HG11 ILE 61 1.004 8.103 -6.740 459 HG21 ILE 61 HG21 ILE 61 3.431 9.179 -9.343 460 HG22 ILE 61 HG22 ILE 61 4.372 9.218 -7.851 461 HG23 ILE 61 HG23 ILE 61 3.823 10.726 -8.591 462 HD11 ILE 61 HD11 ILE 61 1.099 7.629 -9.135 463 HD12 ILE 61 HD12 ILE 61 1.653 6.259 -8.175 464 HD13 ILE 61 HD13 ILE 61 2.824 7.283 -9.005 465 H GLN 62 HN GLN 62 3.109 9.172 -4.150 466 HA GLN 62 HA GLN 62 5.699 10.433 -4.251 467 HB2 GLN 62 HB2 GLN 62 4.697 10.716 -1.544 468 HB3 GLN 62 HB1 GLN 62 5.527 11.868 -2.587 469 HG2 GLN 62 HG2 GLN 62 3.286 12.257 -3.674 470 HG3 GLN 62 HG1 GLN 62 2.607 11.395 -2.278 471 HE21 GLN 62 HE21 GLN 62 1.536 13.359 -1.720 472 HE22 GLN 62 HE22 GLN 62 2.396 14.632 -0.896 473 H CYS 63 HN CYS 63 3.480 8.392 -2.577 474 HA CYS 63 HA CYS 63 5.561 6.877 -1.181 475 HB2 CYS 63 HB2 CYS 63 3.478 7.240 0.024 476 HB3 CYS 63 HB1 CYS 63 2.538 6.654 -1.347 477 H GLN 64 HN GLN 64 6.585 5.382 -2.445 478 HA GLN 64 HA GLN 64 4.778 3.756 -4.094 479 HB2 GLN 64 HB2 GLN 64 7.687 4.278 -4.702 480 HB3 GLN 64 HB1 GLN 64 6.526 3.357 -5.663 481 HG2 GLN 64 HG2 GLN 64 5.179 5.397 -5.866 482 HG3 GLN 64 HG1 GLN 64 6.495 6.281 -5.097 483 HE21 GLN 64 HE21 GLN 64 5.358 6.570 -7.780 484 HE22 GLN 64 HE22 GLN 64 6.669 6.352 -8.879 485 H VAL 65 HN VAL 65 5.010 1.465 -3.561 486 HA VAL 65 HA VAL 65 6.444 1.596 -1.092 487 HB VAL 65 HB VAL 65 4.888 0.553 0.091 488 HG11 VAL 65 HG11 VAL 65 3.165 1.565 -2.077 489 HG12 VAL 65 HG12 VAL 65 3.728 2.453 -0.663 490 HG13 VAL 65 HG13 VAL 65 2.602 1.108 -0.471 491 HG21 VAL 65 HG21 VAL 65 5.026 -1.544 -0.956 492 HG22 VAL 65 HG22 VAL 65 3.925 -0.991 -2.221 493 HG23 VAL 65 HG23 VAL 65 3.361 -1.140 -0.553 494 H ASN 66 HN ASN 66 7.498 -0.435 -0.395 495 HA ASN 66 HA ASN 66 8.127 -2.078 -2.750 496 HB2 ASN 66 HB2 ASN 66 9.889 -1.284 -0.436 497 HB3 ASN 66 HB1 ASN 66 10.187 -2.783 -1.321 498 HD21 ASN 66 HD21 ASN 66 11.852 -0.407 -1.124 499 HD22 ASN 66 HD22 ASN 66 12.074 0.155 -2.750 500 H VAL 67 HN VAL 67 7.152 -3.947 -2.657 501 HA VAL 67 HA VAL 67 5.892 -4.790 -0.167 502 HB VAL 67 HB VAL 67 5.590 -6.018 -2.898 503 HG11 VAL 67 HG11 VAL 67 3.590 -7.041 -1.964 504 HG12 VAL 67 HG12 VAL 67 3.906 -6.267 -0.412 505 HG13 VAL 67 HG13 VAL 67 5.017 -7.490 -1.029 506 HG21 VAL 67 HG21 VAL 67 3.471 -4.814 -3.056 507 HG22 VAL 67 HG22 VAL 67 4.832 -3.699 -2.947 508 HG23 VAL 67 HG23 VAL 67 3.818 -3.996 -1.534 509 HA PRO 68 HA PRO 68 9.383 -7.566 0.137 510 HB2 PRO 68 HB2 PRO 68 9.305 -7.870 2.782 511 HB3 PRO 68 HB1 PRO 68 9.815 -6.338 2.061 512 HG2 PRO 68 HG2 PRO 68 7.227 -7.060 3.344 513 HG3 PRO 68 HG1 PRO 68 8.102 -5.521 3.368 514 HD2 PRO 68 HD2 PRO 68 5.935 -6.186 1.703 515 HD3 PRO 68 HD1 PRO 68 7.013 -4.790 1.515 516 H GLU 69 HN GLU 69 9.677 -9.786 0.870 517 HA GLU 69 HA GLU 69 7.579 -11.479 0.397 518 HB2 GLU 69 HB2 GLU 69 9.875 -12.274 2.181 519 HB3 GLU 69 HB1 GLU 69 8.977 -13.280 1.056 520 HG2 GLU 69 HG2 GLU 69 11.015 -12.936 0.001 521 HG3 GLU 69 HG1 GLU 69 9.939 -11.771 -0.772 522 H THR 70 HN THR 70 8.329 -9.861 3.334 523 HA THR 70 HA THR 70 6.925 -11.561 5.086 524 HB THR 70 HB THR 70 7.331 -8.623 5.595 525 HG1 THR 70 HG1 THR 70 9.307 -10.692 5.556 526 HG21 THR 70 HG21 THR 70 7.800 -9.391 7.872 527 HG22 THR 70 HG22 THR 70 7.589 -11.065 7.360 528 HG23 THR 70 HG23 THR 70 6.219 -9.953 7.331 529 H ALA 71 HN ALA 71 5.643 -9.842 2.629 530 HA ALA 71 HA ALA 71 3.447 -8.516 3.980 531 HB1 ALA 71 HB1 ALA 71 3.942 -8.974 1.044 532 HB2 ALA 71 HB2 ALA 71 4.349 -7.519 1.955 533 HB3 ALA 71 HB3 ALA 71 2.660 -7.976 1.731 534 H ILE 72 HN ILE 72 1.206 -9.052 3.441 535 HA ILE 72 HA ILE 72 0.554 -11.635 2.499 536 HB ILE 72 HB ILE 72 1.320 -11.612 5.170 537 HG12 ILE 72 HG12 ILE 72 1.286 -13.564 3.714 538 HG13 ILE 72 HG11 ILE 72 0.455 -13.910 5.224 539 HG21 ILE 72 HG21 ILE 72 -0.690 -12.107 6.464 540 HG22 ILE 72 HG22 ILE 72 -1.688 -11.691 5.070 541 HG23 ILE 72 HG23 ILE 72 -0.696 -10.456 5.844 542 HD11 ILE 72 HD11 ILE 72 -1.691 -13.658 4.112 543 HD12 ILE 72 HD12 ILE 72 -0.696 -14.871 3.306 544 HD13 ILE 72 HD13 ILE 72 -0.873 -13.264 2.602 545 H SER 73 HN SER 73 -1.943 -11.970 2.855 546 HA SER 73 HA SER 73 -3.204 -9.347 2.745 547 HB2 SER 73 HB2 SER 73 -4.647 -10.208 0.849 548 HB3 SER 73 HB1 SER 73 -2.970 -9.861 0.431 549 HG SER 73 HG SER 73 -2.527 -12.026 0.403 550 H ASP 74 HN ASP 74 -5.806 -9.847 2.623 551 HA ASP 74 HA ASP 74 -7.581 -10.502 3.860 552 HB2 ASP 74 HB2 ASP 74 -6.933 -12.715 2.858 553 HB3 ASP 74 HB1 ASP 74 -6.032 -13.058 4.329 554 H GLN 75 HN GLN 75 -4.961 -9.467 5.166 555 HA GLN 75 HA GLN 75 -5.885 -9.729 7.903 556 HB2 GLN 75 HB2 GLN 75 -3.036 -10.304 7.064 557 HB3 GLN 75 HB1 GLN 75 -3.521 -9.988 8.720 558 HG2 GLN 75 HG2 GLN 75 -4.937 -11.974 8.691 559 HG3 GLN 75 HG1 GLN 75 -4.462 -12.289 7.022 560 HE21 GLN 75 HE21 GLN 75 -3.573 -14.281 7.526 561 HE22 GLN 75 HE22 GLN 75 -2.074 -14.431 8.397 562 H GLN 76 HN GLN 76 -4.612 -8.126 9.300 563 HA GLN 76 HA GLN 76 -4.146 -5.668 7.778 564 HB2 GLN 76 HB2 GLN 76 -4.098 -4.551 9.997 565 HB3 GLN 76 HB1 GLN 76 -5.616 -5.368 9.668 566 HG2 GLN 76 HG2 GLN 76 -4.999 -7.190 11.118 567 HG3 GLN 76 HG1 GLN 76 -3.404 -6.481 11.376 568 HE21 GLN 76 HE21 GLN 76 -3.696 -6.348 13.588 569 HE22 GLN 76 HE22 GLN 76 -4.755 -5.162 14.309 570 H LEU 77 HN LEU 77 -2.105 -4.759 7.599 571 HA LEU 77 HA LEU 77 0.043 -5.836 9.069 572 HB2 LEU 77 HB2 LEU 77 -0.260 -7.686 7.427 573 HB3 LEU 77 HB1 LEU 77 -0.024 -6.537 6.124 574 HG LEU 77 HG LEU 77 2.275 -6.110 6.966 575 HD11 LEU 77 HD11 LEU 77 1.887 -6.736 9.305 576 HD12 LEU 77 HD12 LEU 77 3.250 -7.610 8.605 577 HD13 LEU 77 HD13 LEU 77 1.697 -8.420 8.815 578 HD21 LEU 77 HD21 LEU 77 3.211 -8.223 6.183 579 HD22 LEU 77 HD22 LEU 77 1.866 -7.706 5.168 580 HD23 LEU 77 HD23 LEU 77 1.633 -8.991 6.354 581 H LEU 78 HN LEU 78 2.050 -4.649 8.459 582 HA LEU 78 HA LEU 78 1.187 -2.117 7.319 583 HB2 LEU 78 HB2 LEU 78 2.934 -0.961 8.587 584 HB3 LEU 78 HB1 LEU 78 1.802 -1.774 9.657 585 HG LEU 78 HG LEU 78 4.473 -2.981 8.937 586 HD11 LEU 78 HD11 LEU 78 4.866 -0.791 9.935 587 HD12 LEU 78 HD12 LEU 78 5.317 -2.086 11.044 588 HD13 LEU 78 HD13 LEU 78 3.805 -1.208 11.281 589 HD21 LEU 78 HD21 LEU 78 2.558 -3.428 11.227 590 HD22 LEU 78 HD22 LEU 78 4.128 -4.210 11.038 591 HD23 LEU 78 HD23 LEU 78 2.841 -4.523 9.874 592 H LEU 79 HN LEU 79 2.471 -1.281 5.665 593 HA LEU 79 HA LEU 79 4.469 -3.180 4.661 594 HB2 LEU 79 HB2 LEU 79 2.444 -1.623 3.067 595 HB3 LEU 79 HB1 LEU 79 3.864 -2.351 2.347 596 HG LEU 79 HG LEU 79 2.106 -3.848 1.922 597 HD11 LEU 79 HD11 LEU 79 4.126 -4.950 2.687 598 HD12 LEU 79 HD12 LEU 79 2.693 -5.855 3.179 599 HD13 LEU 79 HD13 LEU 79 3.555 -4.867 4.355 600 HD21 LEU 79 HD21 LEU 79 1.332 -3.644 4.825 601 HD22 LEU 79 HD22 LEU 79 0.579 -4.699 3.630 602 HD23 LEU 79 HD23 LEU 79 0.459 -2.947 3.462 603 HA PRO 80 HA PRO 80 7.190 0.292 4.664 604 HB2 PRO 80 HB2 PRO 80 9.024 -1.099 2.947 605 HB3 PRO 80 HB1 PRO 80 9.116 -0.868 4.692 606 HG2 PRO 80 HG2 PRO 80 8.694 -3.286 3.476 607 HG3 PRO 80 HG1 PRO 80 8.195 -2.907 5.135 608 HD2 PRO 80 HD2 PRO 80 6.569 -2.949 2.620 609 HD3 PRO 80 HD1 PRO 80 6.140 -3.495 4.254 610 H CYS 81 HN CYS 81 6.323 1.898 3.510 611 HA CYS 81 HA CYS 81 6.347 1.932 0.587 612 HB2 CYS 81 HB2 CYS 81 4.444 2.911 1.463 613 HB3 CYS 81 HB1 CYS 81 5.332 3.732 2.709 614 H THR 82 HN THR 82 7.616 3.356 -0.602 615 HA THR 82 HA THR 82 9.861 4.560 0.856 616 HB THR 82 HB THR 82 10.139 3.145 -1.810 617 HG1 THR 82 HG1 THR 82 9.711 1.685 -0.050 618 HG21 THR 82 HG21 THR 82 12.190 4.225 0.132 619 HG22 THR 82 HG22 THR 82 11.795 4.896 -1.452 620 HG23 THR 82 HG23 THR 82 12.556 3.311 -1.331 621 HA PRO 83 HA PRO 83 8.609 8.198 -1.457 622 HB2 PRO 83 HB2 PRO 83 11.154 9.336 -1.510 623 HB3 PRO 83 HB1 PRO 83 9.943 9.587 -0.251 624 HG2 PRO 83 HG2 PRO 83 12.291 7.749 -0.287 625 HG3 PRO 83 HG1 PRO 83 11.601 8.668 1.063 626 HD2 PRO 83 HD2 PRO 83 11.191 6.028 0.802 627 HD3 PRO 83 HD1 PRO 83 9.927 7.106 1.434 628 H GLN 84 HN GLN 84 8.723 8.805 -3.610 629 HA GLN 84 HA GLN 84 9.657 7.025 -5.451 630 HB2 GLN 84 HB2 GLN 84 7.898 8.808 -5.751 631 HB3 GLN 84 HB1 GLN 84 9.208 9.957 -6.024 632 HG2 GLN 84 HG2 GLN 84 9.928 8.693 -7.974 633 HG3 GLN 84 HG1 GLN 84 8.662 7.500 -7.687 634 HE21 GLN 84 HE21 GLN 84 9.135 9.178 -10.010 635 HE22 GLN 84 HE22 GLN 84 7.677 10.100 -10.235 636 H LYS 85 HN LYS 85 11.718 8.756 -3.660 637 HA LYS 85 HA LYS 85 13.764 8.736 -5.700 638 HB2 LYS 85 HB2 LYS 85 13.351 11.120 -3.878 639 HB3 LYS 85 HB1 LYS 85 14.722 10.884 -4.954 640 HG2 LYS 85 HG2 LYS 85 13.230 10.933 -6.882 641 HG3 LYS 85 HG1 LYS 85 11.849 11.161 -5.811 642 HD2 LYS 85 HD2 LYS 85 12.827 13.277 -5.029 643 HD3 LYS 85 HD1 LYS 85 14.177 13.051 -6.144 644 HE2 LYS 85 HE2 LYS 85 11.271 13.308 -6.911 645 HE3 LYS 85 HE1 LYS 85 12.490 14.572 -7.062 646 HZ1 LYS 85 HZ1 LYS 85 12.117 13.444 -9.164 647 HZ2 LYS 85 HZ2 LYS 85 12.530 11.954 -8.472 648 HZ3 LYS 85 HZ3 LYS 85 13.698 13.173 -8.616 Start of MODEL 8 1 H1 VAL 1 HT1 VAL 1 -6.572 -15.482 1.503 2 H2 VAL 1 HT2 VAL 1 -5.876 -16.392 2.742 3 H3 VAL 1 HT3 VAL 1 -7.494 -16.649 2.314 4 HA VAL 1 HA VAL 1 -6.119 -18.405 1.441 5 HB VAL 1 HB VAL 1 -6.731 -18.260 -0.930 6 HG11 VAL 1 HG11 VAL 1 -9.141 -17.898 -0.671 7 HG12 VAL 1 HG12 VAL 1 -8.852 -17.123 0.887 8 HG13 VAL 1 HG13 VAL 1 -8.474 -18.832 0.669 9 HG21 VAL 1 HG21 VAL 1 -7.446 -15.390 -0.347 10 HG22 VAL 1 HG22 VAL 1 -7.728 -16.242 -1.866 11 HG23 VAL 1 HG23 VAL 1 -6.080 -15.935 -1.319 12 H LEU 2 HN LEU 2 -4.584 -18.947 -0.391 13 HA LEU 2 HA LEU 2 -2.122 -17.584 0.039 14 HB2 LEU 2 HB2 LEU 2 -2.991 -19.802 -1.788 15 HB3 LEU 2 HB1 LEU 2 -1.403 -19.089 -1.963 16 HG LEU 2 HG LEU 2 -1.235 -21.110 -0.666 17 HD11 LEU 2 HD11 LEU 2 0.256 -19.287 -0.062 18 HD12 LEU 2 HD12 LEU 2 -0.162 -20.258 1.350 19 HD13 LEU 2 HD13 LEU 2 -0.930 -18.690 1.100 20 HD21 LEU 2 HD21 LEU 2 -3.176 -19.864 1.272 21 HD22 LEU 2 HD22 LEU 2 -2.360 -21.418 1.457 22 HD23 LEU 2 HD23 LEU 2 -3.539 -21.190 0.167 23 H LYS 3 HN LYS 3 -4.626 -17.346 -2.343 24 HA LYS 3 HA LYS 3 -3.004 -15.750 -4.167 25 HB2 LYS 3 HB2 LYS 3 -5.990 -16.175 -4.295 26 HB3 LYS 3 HB1 LYS 3 -4.918 -15.670 -5.593 27 HG2 LYS 3 HG2 LYS 3 -5.009 -18.393 -4.305 28 HG3 LYS 3 HG1 LYS 3 -5.595 -17.964 -5.914 29 HD2 LYS 3 HD2 LYS 3 -3.383 -17.537 -6.688 30 HD3 LYS 3 HD1 LYS 3 -2.724 -17.634 -5.053 31 HE2 LYS 3 HE2 LYS 3 -3.344 -20.007 -4.960 32 HE3 LYS 3 HE1 LYS 3 -3.980 -19.901 -6.599 33 HZ1 LYS 3 HZ1 LYS 3 -1.692 -20.840 -6.399 34 HZ2 LYS 3 HZ2 LYS 3 -1.154 -19.304 -5.911 35 HZ3 LYS 3 HZ3 LYS 3 -1.823 -19.520 -7.455 36 H GLY 4 HN GLY 4 -2.500 -14.319 -2.354 37 HA2 GLY 4 HA2 GLY 4 -4.536 -12.894 -1.021 38 HA3 GLY 4 HA1 GLY 4 -2.810 -12.565 -0.931 39 H LYS 5 HN LYS 5 -5.443 -10.901 -1.468 40 HA LYS 5 HA LYS 5 -4.609 -9.012 -2.801 41 HB2 LYS 5 HB2 LYS 5 -5.648 -8.992 -5.069 42 HB3 LYS 5 HB1 LYS 5 -4.298 -10.097 -4.903 43 HG2 LYS 5 HG2 LYS 5 -5.868 -11.974 -4.734 44 HG3 LYS 5 HG1 LYS 5 -7.214 -10.842 -4.936 45 HD2 LYS 5 HD2 LYS 5 -6.319 -10.149 -7.099 46 HD3 LYS 5 HD1 LYS 5 -4.963 -11.257 -6.899 47 HE2 LYS 5 HE2 LYS 5 -7.870 -12.032 -7.096 48 HE3 LYS 5 HE1 LYS 5 -6.668 -12.181 -8.379 49 HZ1 LYS 5 HZ1 LYS 5 -6.839 -14.284 -7.382 50 HZ2 LYS 5 HZ2 LYS 5 -6.779 -13.647 -5.819 51 HZ3 LYS 5 HZ3 LYS 5 -5.391 -13.625 -6.789 52 H ARG 6 HN ARG 6 -6.131 -9.253 -0.753 53 HA ARG 6 HA ARG 6 -7.335 -6.903 -1.329 54 HB2 ARG 6 HB2 ARG 6 -9.488 -7.179 -1.621 55 HB3 ARG 6 HB1 ARG 6 -9.227 -8.925 -1.741 56 HG2 ARG 6 HG2 ARG 6 -10.807 -8.905 -0.104 57 HG3 ARG 6 HG1 ARG 6 -9.375 -8.735 0.911 58 HD2 ARG 6 HD2 ARG 6 -11.035 -7.133 1.607 59 HD3 ARG 6 HD1 ARG 6 -9.678 -6.280 0.864 60 HE ARG 6 HE ARG 6 -11.747 -6.838 -1.028 61 HH11 ARG 6 HH11 ARG 6 -10.900 -4.674 1.611 62 HH12 ARG 6 HH12 ARG 6 -11.853 -3.352 0.992 63 HH21 ARG 6 HH21 ARG 6 -13.011 -5.111 -1.816 64 HH22 ARG 6 HH22 ARG 6 -13.068 -3.606 -0.946 65 H LEU 7 HN LEU 7 -7.319 -5.707 0.547 66 HA LEU 7 HA LEU 7 -6.469 -7.180 2.813 67 HB2 LEU 7 HB2 LEU 7 -4.174 -5.985 2.639 68 HB3 LEU 7 HB1 LEU 7 -4.483 -7.520 1.858 69 HG LEU 7 HG LEU 7 -3.318 -5.829 0.477 70 HD11 LEU 7 HD11 LEU 7 -5.742 -6.831 -0.730 71 HD12 LEU 7 HD12 LEU 7 -4.309 -7.789 -0.376 72 HD13 LEU 7 HD13 LEU 7 -4.211 -6.443 -1.510 73 HD21 LEU 7 HD21 LEU 7 -5.986 -4.466 0.440 74 HD22 LEU 7 HD22 LEU 7 -4.621 -4.042 -0.599 75 HD23 LEU 7 HD23 LEU 7 -4.511 -3.806 1.147 76 H PHE 8 HN PHE 8 -5.046 -5.734 4.254 77 HA PHE 8 HA PHE 8 -6.422 -3.178 4.606 78 HB2 PHE 8 HB2 PHE 8 -5.626 -5.048 6.865 79 HB3 PHE 8 HB1 PHE 8 -6.222 -3.401 7.063 80 HD1 PHE 8 HD2 PHE 8 -8.578 -2.878 6.659 81 HD2 PHE 8 HD1 PHE 8 -7.111 -6.866 6.376 82 HE1 PHE 8 HE2 PHE 8 -10.882 -3.731 6.800 83 HE2 PHE 8 HE1 PHE 8 -9.413 -7.724 6.520 84 HZ PHE 8 HZ PHE 8 -11.301 -6.158 6.733 85 H ALA 9 HN ALA 9 -4.716 -1.983 3.750 86 HA ALA 9 HA ALA 9 -1.999 -2.936 4.305 87 HB1 ALA 9 HB1 ALA 9 -2.589 -2.632 1.952 88 HB2 ALA 9 HB2 ALA 9 -1.286 -1.552 2.449 89 HB3 ALA 9 HB3 ALA 9 -2.926 -0.929 2.261 90 H ILE 10 HN ILE 10 -1.323 -2.096 6.193 91 HA ILE 10 HA ILE 10 -1.874 0.720 6.830 92 HB ILE 10 HB ILE 10 -0.391 -1.305 8.515 93 HG12 ILE 10 HG12 ILE 10 -3.288 -0.449 8.750 94 HG13 ILE 10 HG11 ILE 10 -2.751 -1.996 8.106 95 HG21 ILE 10 HG21 ILE 10 0.123 1.000 9.067 96 HG22 ILE 10 HG22 ILE 10 -0.865 0.289 10.343 97 HG23 ILE 10 HG23 ILE 10 -1.595 1.387 9.172 98 HD11 ILE 10 HD11 ILE 10 -1.795 -2.572 10.270 99 HD12 ILE 10 HD12 ILE 10 -3.511 -2.186 10.411 100 HD13 ILE 10 HD13 ILE 10 -2.300 -1.011 10.915 101 H LEU 11 HN LEU 11 -0.302 2.126 6.026 102 HA LEU 11 HA LEU 11 2.321 1.019 5.651 103 HB2 LEU 11 HB2 LEU 11 1.749 2.939 3.562 104 HB3 LEU 11 HB1 LEU 11 2.501 1.362 3.457 105 HG LEU 11 HG LEU 11 0.020 0.502 3.634 106 HD11 LEU 11 HD11 LEU 11 -1.560 1.998 2.540 107 HD12 LEU 11 HD12 LEU 11 -0.342 3.273 2.512 108 HD13 LEU 11 HD13 LEU 11 -0.967 2.686 4.052 109 HD21 LEU 11 HD21 LEU 11 1.509 0.105 1.752 110 HD22 LEU 11 HD22 LEU 11 1.179 1.724 1.132 111 HD23 LEU 11 HD23 LEU 11 -0.110 0.522 1.190 112 H ARG 12 HN ARG 12 3.899 2.488 5.888 113 HA ARG 12 HA ARG 12 3.249 5.308 6.502 114 HB2 ARG 12 HB2 ARG 12 5.005 3.507 8.218 115 HB3 ARG 12 HB1 ARG 12 4.756 5.230 8.461 116 HG2 ARG 12 HG2 ARG 12 2.516 3.225 8.569 117 HG3 ARG 12 HG1 ARG 12 3.463 3.696 9.982 118 HD2 ARG 12 HD2 ARG 12 1.935 5.617 8.231 119 HD3 ARG 12 HD1 ARG 12 1.327 4.942 9.743 120 HE ARG 12 HE ARG 12 3.890 6.295 9.905 121 HH11 ARG 12 HH11 ARG 12 0.407 6.557 10.274 122 HH12 ARG 12 HH12 ARG 12 0.510 7.921 11.348 123 HH21 ARG 12 HH21 ARG 12 4.004 8.098 11.293 124 HH22 ARG 12 HH22 ARG 12 2.538 8.794 11.918 125 H LEU 13 HN LEU 13 5.530 6.550 6.493 126 HA LEU 13 HA LEU 13 6.844 5.496 4.136 127 HB2 LEU 13 HB2 LEU 13 7.559 8.154 5.307 128 HB3 LEU 13 HB1 LEU 13 7.809 7.560 3.679 129 HG LEU 13 HG LEU 13 5.419 8.868 4.880 130 HD11 LEU 13 HD11 LEU 13 6.859 9.137 2.260 131 HD12 LEU 13 HD12 LEU 13 7.028 10.193 3.663 132 HD13 LEU 13 HD13 LEU 13 5.497 10.124 2.789 133 HD21 LEU 13 HD21 LEU 13 3.913 8.182 3.223 134 HD22 LEU 13 HD22 LEU 13 4.655 6.693 3.842 135 HD23 LEU 13 HD23 LEU 13 5.192 7.362 2.301 136 H ALA 14 HN ALA 14 9.073 5.412 4.297 137 HA ALA 14 HA ALA 14 9.871 3.783 6.409 138 HB1 ALA 14 HB1 ALA 14 12.087 3.814 5.428 139 HB2 ALA 14 HB2 ALA 14 11.662 5.226 4.461 140 HB3 ALA 14 HB3 ALA 14 10.856 3.684 4.173 141 H ASP 15 HN ASP 15 10.468 7.225 5.905 142 HA ASP 15 HA ASP 15 12.351 7.419 8.076 143 HB2 ASP 15 HB2 ASP 15 12.228 9.866 7.678 144 HB3 ASP 15 HB1 ASP 15 12.604 8.946 6.222 145 H GLY 16 HN GLY 16 8.922 7.521 7.816 146 HA2 GLY 16 HA2 GLY 16 7.950 6.909 10.111 147 HA3 GLY 16 HA1 GLY 16 8.857 8.324 10.646 148 H SER 17 HN SER 17 7.288 8.099 7.556 149 HA SER 17 HA SER 17 5.578 10.329 8.370 150 HB2 SER 17 HB2 SER 17 6.671 9.751 5.606 151 HB3 SER 17 HB1 SER 17 5.734 11.159 6.099 152 HG SER 17 HG SER 17 8.409 10.543 6.555 153 H GLN 18 HN GLN 18 4.061 10.122 5.835 154 HA GLN 18 HA GLN 18 2.620 7.585 6.372 155 HB2 GLN 18 HB2 GLN 18 1.898 10.254 7.012 156 HB3 GLN 18 HB1 GLN 18 0.808 9.645 5.764 157 HG2 GLN 18 HG2 GLN 18 0.063 7.906 7.175 158 HG3 GLN 18 HG1 GLN 18 1.368 8.176 8.334 159 HE21 GLN 18 HE21 GLN 18 1.119 11.094 8.140 160 HE22 GLN 18 HE22 GLN 18 -0.308 11.504 9.051 161 HA PRO 19 HA PRO 19 1.155 8.097 2.107 162 HB2 PRO 19 HB2 PRO 19 -0.118 5.522 2.516 163 HB3 PRO 19 HB1 PRO 19 1.119 5.940 1.327 164 HG2 PRO 19 HG2 PRO 19 1.551 4.249 3.431 165 HG3 PRO 19 HG1 PRO 19 2.827 5.202 2.653 166 HD2 PRO 19 HD2 PRO 19 1.352 5.732 5.204 167 HD3 PRO 19 HD1 PRO 19 3.073 5.968 4.822 168 HA PRO 20 HA PRO 20 -2.123 9.119 4.953 169 HB2 PRO 20 HB2 PRO 20 -1.851 11.712 4.681 170 HB3 PRO 20 HB1 PRO 20 -0.468 10.768 5.216 171 HG2 PRO 20 HG2 PRO 20 -1.002 12.018 2.578 172 HG3 PRO 20 HG1 PRO 20 0.540 11.733 3.407 173 HD2 PRO 20 HD2 PRO 20 -0.800 10.064 1.462 174 HD3 PRO 20 HD1 PRO 20 0.793 9.820 2.226 175 H PHE 21 HN PHE 21 -4.172 10.336 4.890 176 HA PHE 21 HA PHE 21 -6.075 9.118 3.626 177 HB2 PHE 21 HB2 PHE 21 -6.393 11.010 5.149 178 HB3 PHE 21 HB1 PHE 21 -6.083 12.082 3.799 179 HD1 PHE 21 HD2 PHE 21 -8.391 9.493 5.048 180 HD2 PHE 21 HD1 PHE 21 -7.804 12.689 2.301 181 HE1 PHE 21 HE2 PHE 21 -10.777 9.413 4.454 182 HE2 PHE 21 HE1 PHE 21 -10.190 12.616 1.702 183 HZ PHE 21 HZ PHE 21 -11.679 10.973 2.777 184 H GLY 22 HN GLY 22 -5.728 8.297 1.562 185 HA2 GLY 22 HA2 GLY 22 -6.955 8.604 -0.544 186 HA3 GLY 22 HA1 GLY 22 -6.299 10.227 -0.549 187 H ALA 23 HN ALA 23 -3.807 8.664 0.729 188 HA ALA 23 HA ALA 23 -2.369 8.197 -1.456 189 HB1 ALA 23 HB1 ALA 23 -2.162 6.497 1.020 190 HB2 ALA 23 HB2 ALA 23 -1.405 8.073 0.785 191 HB3 ALA 23 HB3 ALA 23 -0.919 6.703 -0.213 192 H SER 24 HN SER 24 -3.454 7.431 -3.046 193 HA SER 24 HA SER 24 -4.608 4.935 -3.365 194 HB2 SER 24 HB2 SER 24 -3.565 7.071 -5.097 195 HB3 SER 24 HB1 SER 24 -3.661 5.484 -5.860 196 HG SER 24 HG SER 24 -5.735 7.065 -4.728 197 H VAL 25 HN VAL 25 -3.501 3.018 -2.882 198 HA VAL 25 HA VAL 25 -0.728 2.938 -3.863 199 HB VAL 25 HB VAL 25 -0.339 0.873 -2.714 200 HG11 VAL 25 HG11 VAL 25 -0.320 1.643 -0.411 201 HG12 VAL 25 HG12 VAL 25 -1.582 2.822 -0.761 202 HG13 VAL 25 HG13 VAL 25 0.016 3.009 -1.473 203 HG21 VAL 25 HG21 VAL 25 -1.951 -0.008 -1.029 204 HG22 VAL 25 HG22 VAL 25 -2.447 -0.212 -2.707 205 HG23 VAL 25 HG23 VAL 25 -3.177 1.057 -1.724 206 H THR 26 HN THR 26 -0.476 2.207 -5.835 207 HA THR 26 HA THR 26 -1.751 -0.249 -6.456 208 HB THR 26 HB THR 26 -2.905 0.105 -8.347 209 HG1 THR 26 HG1 THR 26 -1.268 2.254 -8.644 210 HG21 THR 26 HG21 THR 26 -4.252 0.878 -6.504 211 HG22 THR 26 HG22 THR 26 -4.615 1.825 -7.949 212 HG23 THR 26 HG23 THR 26 -3.606 2.511 -6.677 213 H SER 27 HN SER 27 -0.631 -1.354 -8.209 214 HA SER 27 HA SER 27 2.104 -0.254 -8.030 215 HB2 SER 27 HB2 SER 27 2.849 -2.328 -7.641 216 HB3 SER 27 HB1 SER 27 1.198 -2.936 -7.686 217 HG SER 27 HG SER 27 2.724 -3.912 -9.200 218 H GLU 28 HN GLU 28 3.331 -0.731 -10.164 219 HA GLU 28 HA GLU 28 2.949 1.250 -11.743 220 HB2 GLU 28 HB2 GLU 28 3.537 -1.467 -12.881 221 HB3 GLU 28 HB1 GLU 28 3.954 0.077 -13.615 222 HG2 GLU 28 HG2 GLU 28 5.325 0.599 -11.614 223 HG3 GLU 28 HG1 GLU 28 4.993 -1.025 -11.016 224 H LYS 29 HN LYS 29 1.047 -1.703 -12.679 225 HA LYS 29 HA LYS 29 -0.074 -0.091 -14.863 226 HB2 LYS 29 HB2 LYS 29 -0.383 -3.046 -14.329 227 HB3 LYS 29 HB1 LYS 29 -0.936 -2.186 -15.759 228 HG2 LYS 29 HG2 LYS 29 1.443 -1.574 -16.210 229 HG3 LYS 29 HG1 LYS 29 1.903 -2.647 -14.887 230 HD2 LYS 29 HD2 LYS 29 0.853 -4.526 -16.045 231 HD3 LYS 29 HD1 LYS 29 0.380 -3.455 -17.365 232 HE2 LYS 29 HE2 LYS 29 3.153 -4.279 -16.536 233 HE3 LYS 29 HE1 LYS 29 2.346 -4.572 -18.077 234 HZ1 LYS 29 HZ1 LYS 29 3.838 -2.808 -18.443 235 HZ2 LYS 29 HZ2 LYS 29 3.391 -2.011 -17.022 236 HZ3 LYS 29 HZ3 LYS 29 2.314 -2.073 -18.329 237 H GLY 30 HN GLY 30 -0.893 -0.837 -11.724 238 HA2 GLY 30 HA2 GLY 30 -2.903 0.404 -10.907 239 HA3 GLY 30 HA1 GLY 30 -3.712 -0.341 -12.269 240 H ARG 31 HN ARG 31 -1.211 -1.770 -10.398 241 HA ARG 31 HA ARG 31 -2.746 -4.148 -9.923 242 HB2 ARG 31 HB2 ARG 31 -0.085 -3.742 -10.265 243 HB3 ARG 31 HB1 ARG 31 -0.199 -3.537 -8.531 244 HG2 ARG 31 HG2 ARG 31 0.426 -5.760 -8.874 245 HG3 ARG 31 HG1 ARG 31 -1.273 -5.792 -8.416 246 HD2 ARG 31 HD2 ARG 31 -1.939 -6.173 -10.690 247 HD3 ARG 31 HD1 ARG 31 -0.285 -5.933 -11.263 248 HE ARG 31 HE ARG 31 -0.327 -8.005 -9.344 249 HH11 ARG 31 HH11 ARG 31 -1.311 -7.386 -12.655 250 HH12 ARG 31 HH12 ARG 31 -1.158 -9.049 -13.137 251 HH21 ARG 31 HH21 ARG 31 -0.123 -10.163 -9.968 252 HH22 ARG 31 HH22 ARG 31 -0.466 -10.638 -11.603 253 H GLU 32 HN GLU 32 -2.941 -4.696 -7.444 254 HA GLU 32 HA GLU 32 -2.693 -4.150 -5.224 255 HB2 GLU 32 HB2 GLU 32 -0.994 -2.478 -5.826 256 HB3 GLU 32 HB1 GLU 32 -2.326 -1.366 -5.969 257 HG2 GLU 32 HG2 GLU 32 -1.123 -1.235 -3.803 258 HG3 GLU 32 HG1 GLU 32 -2.858 -1.504 -3.671 259 H LEU 33 HN LEU 33 -3.850 -1.066 -5.114 260 HA LEU 33 HA LEU 33 -6.017 -0.232 -4.663 261 HB2 LEU 33 HB2 LEU 33 -6.803 -3.095 -4.741 262 HB3 LEU 33 HB1 LEU 33 -7.758 -1.867 -3.941 263 HG LEU 33 HG LEU 33 -8.741 -1.372 -5.885 264 HD11 LEU 33 HD11 LEU 33 -7.025 0.352 -6.114 265 HD12 LEU 33 HD12 LEU 33 -7.482 -0.293 -7.690 266 HD13 LEU 33 HD13 LEU 33 -5.963 -0.796 -6.938 267 HD21 LEU 33 HD21 LEU 33 -8.220 -2.615 -7.912 268 HD22 LEU 33 HD22 LEU 33 -8.296 -3.679 -6.505 269 HD23 LEU 33 HD23 LEU 33 -6.732 -3.198 -7.164 270 H GLY 34 HN GLY 34 -4.618 0.546 -3.199 271 HA2 GLY 34 HA2 GLY 34 -5.971 -0.016 -0.641 272 HA3 GLY 34 HA1 GLY 34 -4.212 -0.021 -0.662 273 H MET 35 HN MET 35 -6.932 1.973 -0.184 274 HA MET 35 HA MET 35 -5.244 4.324 -0.658 275 HB2 MET 35 HB2 MET 35 -8.253 4.436 -0.840 276 HB3 MET 35 HB1 MET 35 -7.108 5.737 -1.148 277 HG2 MET 35 HG2 MET 35 -6.373 4.806 -3.122 278 HG3 MET 35 HG1 MET 35 -6.976 3.199 -2.689 279 HE1 MET 35 HE1 MET 35 -9.901 4.192 -1.576 280 HE2 MET 35 HE2 MET 35 -9.712 2.729 -2.541 281 HE3 MET 35 HE3 MET 35 -10.906 3.941 -3.002 282 H VAL 36 HN VAL 36 -4.925 5.542 1.051 283 HA VAL 36 HA VAL 36 -5.729 4.316 3.566 284 HB VAL 36 HB VAL 36 -3.489 5.022 3.540 285 HG11 VAL 36 HG11 VAL 36 -3.674 6.498 1.636 286 HG12 VAL 36 HG12 VAL 36 -2.813 7.273 2.967 287 HG13 VAL 36 HG13 VAL 36 -4.494 7.696 2.637 288 HG21 VAL 36 HG21 VAL 36 -5.042 7.152 5.007 289 HG22 VAL 36 HG22 VAL 36 -3.350 6.730 5.281 290 HG23 VAL 36 HG23 VAL 36 -4.622 5.562 5.641 291 H ALA 37 HN ALA 37 -7.159 5.094 5.028 292 HA ALA 37 HA ALA 37 -8.387 7.699 4.414 293 HB1 ALA 37 HB1 ALA 37 -9.993 5.843 4.299 294 HB2 ALA 37 HB2 ALA 37 -10.383 6.995 5.575 295 HB3 ALA 37 HB3 ALA 37 -9.638 5.448 5.981 296 H ASP 38 HN ASP 38 -6.298 8.311 5.502 297 HA ASP 38 HA ASP 38 -5.458 9.616 7.176 298 HB2 ASP 38 HB2 ASP 38 -7.733 10.246 7.832 299 HB3 ASP 38 HB1 ASP 38 -7.888 8.763 8.763 300 H GLU 39 HN GLU 39 -4.125 9.275 9.022 301 HA GLU 39 HA GLU 39 -2.787 8.172 10.445 302 HB2 GLU 39 HB2 GLU 39 -4.945 6.064 10.344 303 HB3 GLU 39 HB1 GLU 39 -3.579 6.051 11.454 304 HG2 GLU 39 HG2 GLU 39 -5.481 8.356 11.335 305 HG3 GLU 39 HG1 GLU 39 -5.813 6.926 12.310 306 H GLY 40 HN GLY 40 -3.874 6.201 7.717 307 HA2 GLY 40 HA2 GLY 40 -1.914 5.874 6.123 308 HA3 GLY 40 HA1 GLY 40 -1.086 5.253 7.548 309 H LEU 41 HN LEU 41 -4.271 4.334 7.863 310 HA LEU 41 HA LEU 41 -3.883 1.798 6.759 311 HB2 LEU 41 HB2 LEU 41 -6.457 1.700 7.344 312 HB3 LEU 41 HB1 LEU 41 -5.217 1.637 8.559 313 HG LEU 41 HG LEU 41 -6.271 4.328 7.916 314 HD11 LEU 41 HD11 LEU 41 -8.212 3.997 9.374 315 HD12 LEU 41 HD12 LEU 41 -7.835 2.278 9.485 316 HD13 LEU 41 HD13 LEU 41 -8.310 2.976 7.939 317 HD21 LEU 41 HD21 LEU 41 -6.013 4.599 10.329 318 HD22 LEU 41 HD22 LEU 41 -4.531 3.965 9.614 319 HD23 LEU 41 HD23 LEU 41 -5.618 2.889 10.489 320 H ALA 42 HN ALA 42 -3.948 1.367 4.682 321 HA ALA 42 HA ALA 42 -5.921 2.709 2.963 322 HB1 ALA 42 HB1 ALA 42 -3.632 0.993 2.031 323 HB2 ALA 42 HB2 ALA 42 -3.531 2.743 2.216 324 HB3 ALA 42 HB3 ALA 42 -4.670 2.045 1.047 325 H TRP 43 HN TRP 43 -7.700 1.605 3.585 326 HA TRP 43 HA TRP 43 -7.791 -1.243 3.674 327 HB2 TRP 43 HB2 TRP 43 -9.814 0.912 3.837 328 HB3 TRP 43 HB1 TRP 43 -10.285 -0.776 3.822 329 HD1 TRP 43 HD1 TRP 43 -11.187 0.143 6.346 330 HE1 TRP 43 HE1 TRP 43 -9.965 -0.248 8.572 331 HE3 TRP 43 HE3 TRP 43 -6.439 -0.690 4.610 332 HZ2 TRP 43 HZ2 TRP 43 -7.457 -0.855 9.356 333 HZ3 TRP 43 HZ3 TRP 43 -4.673 -1.169 6.243 334 HH2 TRP 43 HH2 TRP 43 -5.176 -1.240 8.621 335 H LEU 44 HN LEU 44 -7.961 -2.437 1.718 336 HA LEU 44 HA LEU 44 -9.536 -1.699 -0.505 337 HB2 LEU 44 HB2 LEU 44 -6.906 -0.542 -0.454 338 HB3 LEU 44 HB1 LEU 44 -7.320 -1.411 -1.927 339 HG LEU 44 HG LEU 44 -8.630 1.037 -0.767 340 HD11 LEU 44 HD11 LEU 44 -6.868 1.356 -2.436 341 HD12 LEU 44 HD12 LEU 44 -8.443 1.863 -3.043 342 HD13 LEU 44 HD13 LEU 44 -7.754 0.323 -3.557 343 HD21 LEU 44 HD21 LEU 44 -10.320 0.731 -2.568 344 HD22 LEU 44 HD22 LEU 44 -10.490 -0.313 -1.161 345 HD23 LEU 44 HD23 LEU 44 -9.791 -0.945 -2.655 346 H SER 45 HN SER 45 -7.413 -3.159 -2.297 347 HA SER 45 HA SER 45 -8.071 -5.559 -1.350 348 HB2 SER 45 HB2 SER 45 -9.315 -6.344 -3.416 349 HB3 SER 45 HB1 SER 45 -10.274 -5.301 -2.358 350 HG SER 45 HG SER 45 -8.793 -4.290 -4.557 351 H GLY 46 HN GLY 46 -5.835 -5.452 -1.450 352 HA2 GLY 46 HA2 GLY 46 -4.677 -4.177 -3.846 353 HA3 GLY 46 HA1 GLY 46 -3.830 -4.589 -2.359 354 H VAL 47 HN VAL 47 -2.084 -5.531 -3.393 355 HA VAL 47 HA VAL 47 -2.777 -8.106 -4.527 356 HB VAL 47 HB VAL 47 -0.728 -8.089 -5.953 357 HG11 VAL 47 HG11 VAL 47 -2.972 -7.843 -6.851 358 HG12 VAL 47 HG12 VAL 47 -1.817 -6.877 -7.766 359 HG13 VAL 47 HG13 VAL 47 -2.895 -6.098 -6.606 360 HG21 VAL 47 HG21 VAL 47 0.190 -5.934 -6.625 361 HG22 VAL 47 HG22 VAL 47 0.430 -6.207 -4.900 362 HG23 VAL 47 HG23 VAL 47 -0.839 -5.114 -5.454 363 H THR 48 HN THR 48 -0.583 -9.425 -4.682 364 HA THR 48 HA THR 48 -0.077 -9.899 -1.881 365 HB THR 48 HB THR 48 -0.633 -11.787 -3.346 366 HG1 THR 48 HG1 THR 48 2.021 -12.380 -2.778 367 HG21 THR 48 HG21 THR 48 0.352 -10.987 -5.425 368 HG22 THR 48 HG22 THR 48 0.972 -12.586 -5.021 369 HG23 THR 48 HG23 THR 48 1.967 -11.158 -4.744 370 HA PRO 49 HA PRO 49 3.656 -7.665 -1.411 371 HB2 PRO 49 HB2 PRO 49 4.483 -10.180 -0.014 372 HB3 PRO 49 HB1 PRO 49 4.624 -8.499 0.519 373 HG2 PRO 49 HG2 PRO 49 2.703 -10.019 1.498 374 HG3 PRO 49 HG1 PRO 49 2.351 -8.340 1.027 375 HD2 PRO 49 HD2 PRO 49 1.691 -10.889 -0.386 376 HD3 PRO 49 HD1 PRO 49 0.746 -9.392 -0.251 377 H GLY 50 HN GLY 50 5.786 -7.543 -2.098 378 HA2 GLY 50 HA2 GLY 50 7.773 -8.753 -2.946 379 HA3 GLY 50 HA1 GLY 50 6.651 -9.705 -3.917 380 H GLU 51 HN GLU 51 6.569 -6.135 -3.434 381 HA GLU 51 HA GLU 51 7.153 -5.808 -6.215 382 HB2 GLU 51 HB2 GLU 51 4.387 -5.078 -5.291 383 HB3 GLU 51 HB1 GLU 51 5.091 -4.659 -6.842 384 HG2 GLU 51 HG2 GLU 51 5.369 -7.216 -7.108 385 HG3 GLU 51 HG1 GLU 51 4.192 -7.274 -5.807 386 H THR 52 HN THR 52 6.382 -3.427 -6.833 387 HA THR 52 HA THR 52 6.717 -1.719 -4.502 388 HB THR 52 HB THR 52 7.611 0.023 -6.168 389 HG1 THR 52 HG1 THR 52 6.964 -1.362 -8.013 390 HG21 THR 52 HG21 THR 52 9.278 -2.438 -5.620 391 HG22 THR 52 HG22 THR 52 9.047 -1.079 -4.519 392 HG23 THR 52 HG23 THR 52 9.901 -0.843 -6.043 393 H LEU 53 HN LEU 53 5.054 -0.490 -4.080 394 HA LEU 53 HA LEU 53 2.795 -0.505 -5.920 395 HB2 LEU 53 HB2 LEU 53 3.190 0.080 -2.995 396 HB3 LEU 53 HB1 LEU 53 1.699 0.552 -3.810 397 HG LEU 53 HG LEU 53 2.808 -2.239 -3.599 398 HD11 LEU 53 HD11 LEU 53 0.350 -0.962 -2.414 399 HD12 LEU 53 HD12 LEU 53 1.750 -1.572 -1.531 400 HD13 LEU 53 HD13 LEU 53 0.692 -2.696 -2.401 401 HD21 LEU 53 HD21 LEU 53 1.863 -2.071 -5.701 402 HD22 LEU 53 HD22 LEU 53 0.611 -0.961 -5.138 403 HD23 LEU 53 HD23 LEU 53 0.536 -2.680 -4.705 404 H SER 54 HN SER 54 2.178 1.213 -7.085 405 HA SER 54 HA SER 54 3.588 3.695 -6.737 406 HB2 SER 54 HB2 SER 54 1.489 3.055 -8.790 407 HB3 SER 54 HB1 SER 54 2.618 4.416 -8.810 408 HG SER 54 HG SER 54 3.424 2.849 -10.161 409 H VAL 55 HN VAL 55 2.965 5.037 -5.272 410 HA VAL 55 HA VAL 55 0.142 4.922 -4.502 411 HB VAL 55 HB VAL 55 2.577 5.426 -2.825 412 HG11 VAL 55 HG11 VAL 55 1.095 5.254 -0.894 413 HG12 VAL 55 HG12 VAL 55 -0.290 5.104 -1.975 414 HG13 VAL 55 HG13 VAL 55 0.636 6.605 -1.931 415 HG21 VAL 55 HG21 VAL 55 2.611 3.183 -3.478 416 HG22 VAL 55 HG22 VAL 55 0.891 2.993 -3.155 417 HG23 VAL 55 HG23 VAL 55 2.016 3.229 -1.818 418 H ASN 56 HN ASN 56 -1.001 6.654 -4.730 419 HA ASN 56 HA ASN 56 0.266 9.254 -5.384 420 HB2 ASN 56 HB2 ASN 56 -2.487 8.093 -5.930 421 HB3 ASN 56 HB1 ASN 56 -2.105 9.770 -6.217 422 HD21 ASN 56 HD21 ASN 56 -1.715 6.501 -7.251 423 HD22 ASN 56 HD22 ASN 56 -1.062 6.864 -8.824 424 H TRP 57 HN TRP 57 -0.388 11.137 -4.037 425 HA TRP 57 HA TRP 57 -3.078 10.935 -3.099 426 HB2 TRP 57 HB2 TRP 57 -2.764 11.167 -0.841 427 HB3 TRP 57 HB1 TRP 57 -1.543 10.020 -1.346 428 HD1 TRP 57 HD1 TRP 57 -1.908 13.647 -0.244 429 HE1 TRP 57 HE1 TRP 57 0.263 14.428 0.868 430 HE3 TRP 57 HE3 TRP 57 0.933 9.463 -1.002 431 HZ2 TRP 57 HZ2 TRP 57 2.757 13.403 1.364 432 HZ3 TRP 57 HZ3 TRP 57 3.221 9.486 -0.077 433 HH2 TRP 57 HH2 TRP 57 4.117 11.402 1.069 434 H ASP 58 HN ASP 58 -2.919 13.441 -1.431 435 HA ASP 58 HA ASP 58 -3.136 15.561 -2.921 436 HB2 ASP 58 HB2 ASP 58 -1.497 15.293 -0.427 437 HB3 ASP 58 HB1 ASP 58 -1.489 16.823 -1.290 438 H GLY 59 HN GLY 59 0.252 14.615 -1.984 439 HA2 GLY 59 HA2 GLY 59 1.277 16.123 -4.208 440 HA3 GLY 59 HA1 GLY 59 2.195 15.004 -3.196 441 H LYS 60 HN LYS 60 -0.523 13.551 -4.343 442 HA LYS 60 HA LYS 60 -0.955 11.855 -5.723 443 HB2 LYS 60 HB2 LYS 60 0.701 13.592 -7.507 444 HB3 LYS 60 HB1 LYS 60 -0.351 12.282 -8.063 445 HG2 LYS 60 HG2 LYS 60 -2.010 13.603 -6.365 446 HG3 LYS 60 HG1 LYS 60 -1.037 14.942 -7.030 447 HD2 LYS 60 HD2 LYS 60 -3.035 14.590 -8.390 448 HD3 LYS 60 HD1 LYS 60 -1.575 14.237 -9.313 449 HE2 LYS 60 HE2 LYS 60 -1.908 11.829 -8.835 450 HE3 LYS 60 HE1 LYS 60 -3.418 12.226 -8.020 451 HZ1 LYS 60 HZ1 LYS 60 -4.342 13.013 -10.048 452 HZ2 LYS 60 HZ2 LYS 60 -3.666 11.492 -10.368 453 HZ3 LYS 60 HZ3 LYS 60 -2.854 12.900 -10.849 454 H ILE 61 HN ILE 61 1.051 11.074 -7.888 455 HA ILE 61 HA ILE 61 1.850 8.821 -6.289 456 HB ILE 61 HB ILE 61 1.442 9.135 -9.055 457 HG12 ILE 61 HG12 ILE 61 2.649 6.739 -7.667 458 HG13 ILE 61 HG11 ILE 61 0.939 7.166 -7.503 459 HG21 ILE 61 HG21 ILE 61 3.782 9.788 -9.333 460 HG22 ILE 61 HG22 ILE 61 3.455 8.216 -10.061 461 HG23 ILE 61 HG23 ILE 61 4.288 8.312 -8.509 462 HD11 ILE 61 HD11 ILE 61 1.132 5.499 -9.185 463 HD12 ILE 61 HD12 ILE 61 2.425 6.377 -10.005 464 HD13 ILE 61 HD13 ILE 61 0.783 7.022 -10.000 465 H GLN 62 HN GLN 62 3.260 9.172 -4.892 466 HA GLN 62 HA GLN 62 5.825 10.320 -5.647 467 HB2 GLN 62 HB2 GLN 62 5.675 11.552 -3.377 468 HB3 GLN 62 HB1 GLN 62 4.999 12.247 -4.830 469 HG2 GLN 62 HG2 GLN 62 2.860 11.995 -4.101 470 HG3 GLN 62 HG1 GLN 62 3.252 10.709 -2.948 471 HE21 GLN 62 HE21 GLN 62 1.840 13.216 -2.529 472 HE22 GLN 62 HE22 GLN 62 2.732 14.089 -1.310 473 H CYS 63 HN CYS 63 3.972 8.510 -3.432 474 HA CYS 63 HA CYS 63 6.396 7.425 -2.157 475 HB2 CYS 63 HB2 CYS 63 4.231 8.364 -0.911 476 HB3 CYS 63 HB1 CYS 63 3.658 6.728 -1.261 477 H GLN 64 HN GLN 64 6.849 5.299 -2.507 478 HA GLN 64 HA GLN 64 4.803 3.768 -3.841 479 HB2 GLN 64 HB2 GLN 64 7.671 3.729 -4.781 480 HB3 GLN 64 HB1 GLN 64 6.426 2.566 -5.246 481 HG2 GLN 64 HG2 GLN 64 5.068 4.448 -6.079 482 HG3 GLN 64 HG1 GLN 64 6.453 5.490 -5.748 483 HE21 GLN 64 HE21 GLN 64 5.198 2.953 -7.783 484 HE22 GLN 64 HE22 GLN 64 6.393 3.073 -9.023 485 H VAL 65 HN VAL 65 4.539 1.904 -2.851 486 HA VAL 65 HA VAL 65 6.283 1.690 -0.687 487 HB VAL 65 HB VAL 65 3.582 1.309 -0.943 488 HG11 VAL 65 HG11 VAL 65 3.069 -0.987 -0.268 489 HG12 VAL 65 HG12 VAL 65 4.765 -1.423 -0.487 490 HG13 VAL 65 HG13 VAL 65 3.799 -0.916 -1.873 491 HG21 VAL 65 HG21 VAL 65 5.315 0.330 1.304 492 HG22 VAL 65 HG22 VAL 65 3.585 0.660 1.402 493 HG23 VAL 65 HG23 VAL 65 4.719 1.975 1.083 494 H ASN 66 HN ASN 66 7.657 -0.021 -0.130 495 HA ASN 66 HA ASN 66 8.210 -1.818 -2.402 496 HB2 ASN 66 HB2 ASN 66 10.179 -0.536 -1.584 497 HB3 ASN 66 HB1 ASN 66 9.953 -1.243 0.019 498 HD21 ASN 66 HD21 ASN 66 11.944 -2.256 0.025 499 HD22 ASN 66 HD22 ASN 66 12.307 -3.609 -0.993 500 H VAL 67 HN VAL 67 7.025 -3.606 -2.186 501 HA VAL 67 HA VAL 67 6.382 -4.467 0.514 502 HB VAL 67 HB VAL 67 4.452 -3.919 -0.971 503 HG11 VAL 67 HG11 VAL 67 5.211 -6.433 -2.386 504 HG12 VAL 67 HG12 VAL 67 5.203 -4.800 -3.053 505 HG13 VAL 67 HG13 VAL 67 3.689 -5.562 -2.566 506 HG21 VAL 67 HG21 VAL 67 3.111 -5.823 -0.237 507 HG22 VAL 67 HG22 VAL 67 4.181 -5.235 1.037 508 HG23 VAL 67 HG23 VAL 67 4.590 -6.702 0.148 509 HA PRO 68 HA PRO 68 9.324 -7.650 -0.380 510 HB2 PRO 68 HB2 PRO 68 9.217 -8.413 2.381 511 HB3 PRO 68 HB1 PRO 68 10.467 -7.471 1.568 512 HG2 PRO 68 HG2 PRO 68 8.765 -6.481 3.501 513 HG3 PRO 68 HG1 PRO 68 9.617 -5.493 2.304 514 HD2 PRO 68 HD2 PRO 68 6.782 -6.442 2.307 515 HD3 PRO 68 HD1 PRO 68 7.451 -4.881 1.783 516 H GLU 69 HN GLU 69 9.364 -9.963 -0.329 517 HA GLU 69 HA GLU 69 6.717 -11.056 -0.696 518 HB2 GLU 69 HB2 GLU 69 9.438 -12.360 -0.915 519 HB3 GLU 69 HB1 GLU 69 7.920 -13.037 -1.495 520 HG2 GLU 69 HG2 GLU 69 7.753 -11.516 -3.231 521 HG3 GLU 69 HG1 GLU 69 8.852 -10.369 -2.464 522 H THR 70 HN THR 70 8.087 -10.439 2.055 523 HA THR 70 HA THR 70 8.334 -12.925 3.376 524 HB THR 70 HB THR 70 7.787 -10.294 4.739 525 HG1 THR 70 HG1 THR 70 10.037 -11.154 3.267 526 HG21 THR 70 HG21 THR 70 9.464 -12.699 5.472 527 HG22 THR 70 HG22 THR 70 7.919 -12.241 6.190 528 HG23 THR 70 HG23 THR 70 9.335 -11.218 6.422 529 H ALA 71 HN ALA 71 5.590 -10.732 2.962 530 HA ALA 71 HA ALA 71 4.117 -12.278 4.988 531 HB1 ALA 71 HB1 ALA 71 2.718 -10.329 5.389 532 HB2 ALA 71 HB2 ALA 71 3.634 -9.410 4.196 533 HB3 ALA 71 HB3 ALA 71 4.415 -9.949 5.682 534 H ILE 72 HN ILE 72 1.557 -11.398 4.343 535 HA ILE 72 HA ILE 72 1.142 -12.221 1.635 536 HB ILE 72 HB ILE 72 1.335 -14.369 2.913 537 HG12 ILE 72 HG12 ILE 72 -1.393 -13.795 1.723 538 HG13 ILE 72 HG11 ILE 72 0.047 -14.245 0.814 539 HG21 ILE 72 HG21 ILE 72 -0.559 -15.021 4.357 540 HG22 ILE 72 HG22 ILE 72 -1.171 -13.369 4.257 541 HG23 ILE 72 HG23 ILE 72 0.386 -13.688 5.021 542 HD11 ILE 72 HD11 ILE 72 0.070 -16.417 1.904 543 HD12 ILE 72 HD12 ILE 72 -1.478 -16.124 1.110 544 HD13 ILE 72 HD13 ILE 72 -1.341 -15.963 2.861 545 H SER 73 HN SER 73 -1.210 -12.084 1.084 546 HA SER 73 HA SER 73 -2.209 -9.608 2.272 547 HB2 SER 73 HB2 SER 73 -1.887 -9.581 -0.118 548 HB3 SER 73 HB1 SER 73 -2.808 -11.068 -0.304 549 HG SER 73 HG SER 73 -3.708 -8.658 -0.475 550 H ASP 74 HN ASP 74 -4.968 -9.828 1.629 551 HA ASP 74 HA ASP 74 -6.943 -10.722 2.289 552 HB2 ASP 74 HB2 ASP 74 -6.114 -12.911 1.494 553 HB3 ASP 74 HB1 ASP 74 -5.374 -13.195 3.063 554 H GLN 75 HN GLN 75 -4.712 -9.522 4.035 555 HA GLN 75 HA GLN 75 -6.236 -9.487 6.449 556 HB2 GLN 75 HB2 GLN 75 -4.473 -10.199 7.963 557 HB3 GLN 75 HB1 GLN 75 -4.846 -11.493 6.834 558 HG2 GLN 75 HG2 GLN 75 -2.869 -10.946 5.527 559 HG3 GLN 75 HG1 GLN 75 -2.505 -9.609 6.617 560 HE21 GLN 75 HE21 GLN 75 -0.544 -10.390 7.256 561 HE22 GLN 75 HE22 GLN 75 -0.361 -11.801 8.260 562 H GLN 76 HN GLN 76 -4.418 -8.288 8.135 563 HA GLN 76 HA GLN 76 -3.999 -5.738 6.760 564 HB2 GLN 76 HB2 GLN 76 -3.638 -4.804 9.004 565 HB3 GLN 76 HB1 GLN 76 -5.191 -5.617 8.890 566 HG2 GLN 76 HG2 GLN 76 -4.195 -7.591 9.991 567 HG3 GLN 76 HG1 GLN 76 -2.694 -6.685 10.179 568 HE21 GLN 76 HE21 GLN 76 -2.769 -6.805 12.412 569 HE22 GLN 76 HE22 GLN 76 -3.896 -5.877 13.350 570 H LEU 77 HN LEU 77 -1.887 -4.724 6.811 571 HA LEU 77 HA LEU 77 0.315 -6.417 7.513 572 HB2 LEU 77 HB2 LEU 77 -0.058 -5.491 4.654 573 HB3 LEU 77 HB1 LEU 77 1.428 -6.151 5.301 574 HG LEU 77 HG LEU 77 -1.173 -7.664 5.068 575 HD11 LEU 77 HD11 LEU 77 -0.044 -8.866 3.255 576 HD12 LEU 77 HD12 LEU 77 1.332 -7.771 3.393 577 HD13 LEU 77 HD13 LEU 77 -0.240 -7.153 2.881 578 HD21 LEU 77 HD21 LEU 77 0.223 -8.451 6.902 579 HD22 LEU 77 HD22 LEU 77 1.607 -8.566 5.814 580 HD23 LEU 77 HD23 LEU 77 0.210 -9.618 5.580 581 H LEU 78 HN LEU 78 2.357 -5.066 7.273 582 HA LEU 78 HA LEU 78 1.561 -2.290 7.284 583 HB2 LEU 78 HB2 LEU 78 3.268 -1.645 8.925 584 HB3 LEU 78 HB1 LEU 78 2.052 -2.699 9.610 585 HG LEU 78 HG LEU 78 4.103 -3.282 10.600 586 HD11 LEU 78 HD11 LEU 78 3.573 -5.320 8.460 587 HD12 LEU 78 HD12 LEU 78 2.780 -5.214 10.033 588 HD13 LEU 78 HD13 LEU 78 4.502 -5.587 9.936 589 HD21 LEU 78 HD21 LEU 78 6.129 -3.864 9.377 590 HD22 LEU 78 HD22 LEU 78 5.621 -2.205 9.057 591 HD23 LEU 78 HD23 LEU 78 5.325 -3.464 7.859 592 H LEU 79 HN LEU 79 2.696 -1.028 5.928 593 HA LEU 79 HA LEU 79 4.822 -2.411 4.425 594 HB2 LEU 79 HB2 LEU 79 2.642 -0.577 3.437 595 HB3 LEU 79 HB1 LEU 79 3.966 -1.140 2.441 596 HG LEU 79 HG LEU 79 2.191 -2.519 1.854 597 HD11 LEU 79 HD11 LEU 79 2.763 -4.746 2.678 598 HD12 LEU 79 HD12 LEU 79 3.721 -4.019 3.969 599 HD13 LEU 79 HD13 LEU 79 4.200 -3.799 2.286 600 HD21 LEU 79 HD21 LEU 79 1.537 -2.841 4.780 601 HD22 LEU 79 HD22 LEU 79 0.704 -3.639 3.448 602 HD23 LEU 79 HD23 LEU 79 0.634 -1.884 3.604 603 HA PRO 80 HA PRO 80 7.290 1.261 4.903 604 HB2 PRO 80 HB2 PRO 80 9.437 0.373 3.519 605 HB3 PRO 80 HB1 PRO 80 9.033 -0.213 5.134 606 HG2 PRO 80 HG2 PRO 80 8.794 -1.571 2.535 607 HG3 PRO 80 HG1 PRO 80 8.898 -2.262 4.165 608 HD2 PRO 80 HD2 PRO 80 6.554 -1.879 2.552 609 HD3 PRO 80 HD1 PRO 80 6.659 -2.556 4.187 610 H CYS 81 HN CYS 81 6.596 2.953 3.845 611 HA CYS 81 HA CYS 81 6.410 3.069 0.912 612 HB2 CYS 81 HB2 CYS 81 4.721 3.900 2.798 613 HB3 CYS 81 HB1 CYS 81 5.735 5.336 2.710 614 H THR 82 HN THR 82 7.916 3.971 -0.299 615 HA THR 82 HA THR 82 9.708 5.914 0.938 616 HB THR 82 HB THR 82 10.977 3.847 0.982 617 HG1 THR 82 HG1 THR 82 11.954 5.370 -1.215 618 HG21 THR 82 HG21 THR 82 10.471 3.695 -1.992 619 HG22 THR 82 HG22 THR 82 9.810 2.614 -0.765 620 HG23 THR 82 HG23 THR 82 11.545 2.635 -1.075 621 HA PRO 83 HA PRO 83 8.954 7.841 -3.042 622 HB2 PRO 83 HB2 PRO 83 10.267 10.193 -2.175 623 HB3 PRO 83 HB1 PRO 83 8.530 9.889 -2.157 624 HG2 PRO 83 HG2 PRO 83 10.173 10.197 0.091 625 HG3 PRO 83 HG1 PRO 83 8.524 9.549 0.083 626 HD2 PRO 83 HD2 PRO 83 11.134 8.105 0.165 627 HD3 PRO 83 HD1 PRO 83 9.576 7.679 0.910 628 H GLN 84 HN GLN 84 10.339 6.819 -4.437 629 HA GLN 84 HA GLN 84 13.005 7.857 -4.729 630 HB2 GLN 84 HB2 GLN 84 13.334 6.059 -3.055 631 HB3 GLN 84 HB1 GLN 84 12.606 4.902 -4.166 632 HG2 GLN 84 HG2 GLN 84 14.985 4.656 -4.222 633 HG3 GLN 84 HG1 GLN 84 14.444 5.327 -5.758 634 HE21 GLN 84 HE21 GLN 84 17.071 5.399 -4.535 635 HE22 GLN 84 HE22 GLN 84 17.488 7.082 -4.372 636 H LYS 85 HN LYS 85 11.415 8.444 -6.554 637 HA LYS 85 HA LYS 85 11.666 6.487 -8.658 638 HB2 LYS 85 HB2 LYS 85 9.379 6.832 -9.481 639 HB3 LYS 85 HB1 LYS 85 9.392 6.076 -7.893 640 HG2 LYS 85 HG2 LYS 85 8.569 7.956 -6.842 641 HG3 LYS 85 HG1 LYS 85 9.109 9.037 -8.129 642 HD2 LYS 85 HD2 LYS 85 7.013 6.952 -8.627 643 HD3 LYS 85 HD1 LYS 85 6.591 8.513 -7.924 644 HE2 LYS 85 HE2 LYS 85 6.277 8.536 -10.341 645 HE3 LYS 85 HE1 LYS 85 7.553 9.654 -9.863 646 HZ1 LYS 85 HZ1 LYS 85 8.069 8.303 -11.860 647 HZ2 LYS 85 HZ2 LYS 85 8.054 6.910 -10.894 648 HZ3 LYS 85 HZ3 LYS 85 9.205 8.127 -10.614 Start of MODEL 9 1 H1 VAL 1 HT1 VAL 1 -9.034 -21.691 2.673 2 H2 VAL 1 HT2 VAL 1 -9.011 -21.473 0.994 3 H3 VAL 1 HT3 VAL 1 -10.479 -21.704 1.789 4 HA VAL 1 HA VAL 1 -10.233 -19.613 2.948 5 HB VAL 1 HB VAL 1 -7.951 -18.878 1.154 6 HG11 VAL 1 HG11 VAL 1 -7.410 -17.383 3.049 7 HG12 VAL 1 HG12 VAL 1 -8.816 -18.010 3.910 8 HG13 VAL 1 HG13 VAL 1 -9.029 -17.121 2.401 9 HG21 VAL 1 HG21 VAL 1 -7.589 -20.287 3.798 10 HG22 VAL 1 HG22 VAL 1 -6.309 -19.557 2.827 11 HG23 VAL 1 HG23 VAL 1 -7.197 -20.952 2.212 12 H LEU 2 HN LEU 2 -10.111 -17.332 1.418 13 HA LEU 2 HA LEU 2 -12.257 -17.945 -0.459 14 HB2 LEU 2 HB2 LEU 2 -12.437 -16.083 1.205 15 HB3 LEU 2 HB1 LEU 2 -11.154 -15.255 0.346 16 HG LEU 2 HG LEU 2 -12.574 -15.148 -1.666 17 HD11 LEU 2 HD11 LEU 2 -14.982 -15.688 -1.440 18 HD12 LEU 2 HD12 LEU 2 -14.634 -16.441 0.116 19 HD13 LEU 2 HD13 LEU 2 -13.937 -17.105 -1.361 20 HD21 LEU 2 HD21 LEU 2 -12.571 -13.281 -0.122 21 HD22 LEU 2 HD22 LEU 2 -13.834 -14.047 0.842 22 HD23 LEU 2 HD23 LEU 2 -14.184 -13.506 -0.800 23 H LYS 3 HN LYS 3 -8.908 -17.112 -0.468 24 HA LYS 3 HA LYS 3 -7.414 -17.648 -2.173 25 HB2 LYS 3 HB2 LYS 3 -9.752 -17.422 -4.072 26 HB3 LYS 3 HB1 LYS 3 -8.095 -17.784 -4.528 27 HG2 LYS 3 HG2 LYS 3 -8.172 -19.890 -3.402 28 HG3 LYS 3 HG1 LYS 3 -9.743 -19.509 -2.694 29 HD2 LYS 3 HD2 LYS 3 -9.326 -19.601 -5.668 30 HD3 LYS 3 HD1 LYS 3 -9.696 -21.053 -4.741 31 HE2 LYS 3 HE2 LYS 3 -11.722 -20.105 -5.702 32 HE3 LYS 3 HE1 LYS 3 -11.768 -20.023 -3.945 33 HZ1 LYS 3 HZ1 LYS 3 -11.009 -17.741 -5.699 34 HZ2 LYS 3 HZ2 LYS 3 -11.262 -17.700 -4.023 35 HZ3 LYS 3 HZ3 LYS 3 -12.562 -17.987 -5.066 36 H GLY 4 HN GLY 4 -6.690 -15.677 -1.338 37 HA2 GLY 4 HA2 GLY 4 -6.013 -13.690 -3.162 38 HA3 GLY 4 HA1 GLY 4 -7.537 -13.221 -2.396 39 H LYS 5 HN LYS 5 -5.334 -11.650 -2.001 40 HA LYS 5 HA LYS 5 -5.221 -12.101 0.828 41 HB2 LYS 5 HB2 LYS 5 -3.123 -10.526 -0.694 42 HB3 LYS 5 HB1 LYS 5 -3.128 -10.921 1.018 43 HG2 LYS 5 HG2 LYS 5 -2.696 -13.235 0.542 44 HG3 LYS 5 HG1 LYS 5 -2.854 -12.947 -1.191 45 HD2 LYS 5 HD2 LYS 5 -0.884 -11.566 -1.193 46 HD3 LYS 5 HD1 LYS 5 -0.773 -11.650 0.568 47 HE2 LYS 5 HE2 LYS 5 -0.592 -14.043 -1.258 48 HE3 LYS 5 HE1 LYS 5 0.806 -13.161 -0.643 49 HZ1 LYS 5 HZ1 LYS 5 0.197 -15.173 0.655 50 HZ2 LYS 5 HZ2 LYS 5 -1.246 -14.407 1.111 51 HZ3 LYS 5 HZ3 LYS 5 0.251 -13.751 1.573 52 H ARG 6 HN ARG 6 -7.218 -10.941 0.811 53 HA ARG 6 HA ARG 6 -7.099 -8.267 -0.308 54 HB2 ARG 6 HB2 ARG 6 -9.305 -7.988 -0.349 55 HB3 ARG 6 HB1 ARG 6 -9.378 -9.757 -0.395 56 HG2 ARG 6 HG2 ARG 6 -10.852 -9.305 1.321 57 HG3 ARG 6 HG1 ARG 6 -9.348 -9.519 2.219 58 HD2 ARG 6 HD2 ARG 6 -10.359 -7.568 3.103 59 HD3 ARG 6 HD1 ARG 6 -9.029 -7.029 2.084 60 HE ARG 6 HE ARG 6 -11.483 -7.082 0.642 61 HH11 ARG 6 HH11 ARG 6 -9.656 -5.230 2.983 62 HH12 ARG 6 HH12 ARG 6 -10.377 -3.717 2.552 63 HH21 ARG 6 HH21 ARG 6 -12.448 -5.069 0.064 64 HH22 ARG 6 HH22 ARG 6 -11.966 -3.625 0.890 65 H LEU 7 HN LEU 7 -7.026 -6.654 1.290 66 HA LEU 7 HA LEU 7 -6.278 -7.873 3.708 67 HB2 LEU 7 HB2 LEU 7 -3.928 -7.486 3.299 68 HB3 LEU 7 HB1 LEU 7 -4.696 -8.624 2.217 69 HG LEU 7 HG LEU 7 -3.299 -7.422 0.853 70 HD11 LEU 7 HD11 LEU 7 -5.840 -5.930 0.566 71 HD12 LEU 7 HD12 LEU 7 -5.460 -7.496 -0.147 72 HD13 LEU 7 HD13 LEU 7 -4.550 -6.065 -0.626 73 HD21 LEU 7 HD21 LEU 7 -4.357 -4.886 2.091 74 HD22 LEU 7 HD22 LEU 7 -3.037 -5.006 0.911 75 HD23 LEU 7 HD23 LEU 7 -2.818 -5.646 2.545 76 H PHE 8 HN PHE 8 -4.387 -6.351 4.726 77 HA PHE 8 HA PHE 8 -5.562 -3.662 4.903 78 HB2 PHE 8 HB2 PHE 8 -6.424 -4.857 6.833 79 HB3 PHE 8 HB1 PHE 8 -4.804 -5.421 7.247 80 HD1 PHE 8 HD2 PHE 8 -5.517 -1.981 6.132 81 HD2 PHE 8 HD1 PHE 8 -4.799 -4.541 9.454 82 HE1 PHE 8 HE2 PHE 8 -5.208 -0.018 7.578 83 HE2 PHE 8 HE1 PHE 8 -4.489 -2.578 10.904 84 HZ PHE 8 HZ PHE 8 -4.694 -0.313 9.966 85 H ALA 9 HN ALA 9 -3.973 -2.326 4.243 86 HA ALA 9 HA ALA 9 -1.203 -3.144 4.800 87 HB1 ALA 9 HB1 ALA 9 -2.171 -1.318 2.606 88 HB2 ALA 9 HB2 ALA 9 -1.657 -2.993 2.397 89 HB3 ALA 9 HB3 ALA 9 -0.496 -1.773 2.924 90 H ILE 10 HN ILE 10 -0.138 -1.918 6.210 91 HA ILE 10 HA ILE 10 -1.248 0.702 6.906 92 HB ILE 10 HB ILE 10 0.955 -0.884 8.251 93 HG12 ILE 10 HG12 ILE 10 -0.833 -0.893 10.131 94 HG13 ILE 10 HG11 ILE 10 -1.972 -0.512 8.846 95 HG21 ILE 10 HG21 ILE 10 -0.371 1.678 9.126 96 HG22 ILE 10 HG22 ILE 10 1.284 1.513 8.539 97 HG23 ILE 10 HG23 ILE 10 0.808 0.752 10.057 98 HD11 ILE 10 HD11 ILE 10 -0.203 -2.942 8.964 99 HD12 ILE 10 HD12 ILE 10 -1.368 -2.565 7.693 100 HD13 ILE 10 HD13 ILE 10 -1.926 -2.890 9.335 101 H LEU 11 HN LEU 11 -0.477 2.368 5.668 102 HA LEU 11 HA LEU 11 2.054 1.956 4.256 103 HB2 LEU 11 HB2 LEU 11 -0.187 3.907 3.703 104 HB3 LEU 11 HB1 LEU 11 1.334 3.871 2.838 105 HG LEU 11 HG LEU 11 -0.199 2.802 1.428 106 HD11 LEU 11 HD11 LEU 11 1.884 1.596 1.581 107 HD12 LEU 11 HD12 LEU 11 0.548 0.472 1.334 108 HD13 LEU 11 HD13 LEU 11 1.267 0.650 2.935 109 HD21 LEU 11 HD21 LEU 11 -1.681 0.980 2.145 110 HD22 LEU 11 HD22 LEU 11 -2.019 2.492 2.986 111 HD23 LEU 11 HD23 LEU 11 -1.133 1.207 3.806 112 H ARG 12 HN ARG 12 3.610 2.658 5.541 113 HA ARG 12 HA ARG 12 3.353 5.418 6.589 114 HB2 ARG 12 HB2 ARG 12 4.911 3.116 7.799 115 HB3 ARG 12 HB1 ARG 12 4.792 4.741 8.461 116 HG2 ARG 12 HG2 ARG 12 2.449 2.884 8.079 117 HG3 ARG 12 HG1 ARG 12 3.331 3.090 9.594 118 HD2 ARG 12 HD2 ARG 12 2.603 5.295 9.852 119 HD3 ARG 12 HD1 ARG 12 2.140 5.436 8.158 120 HE ARG 12 HE ARG 12 0.457 3.545 9.030 121 HH11 ARG 12 HH11 ARG 12 1.329 6.647 10.392 122 HH12 ARG 12 HH12 ARG 12 -0.248 6.958 11.039 123 HH21 ARG 12 HH21 ARG 12 -1.637 3.947 9.876 124 HH22 ARG 12 HH22 ARG 12 -1.944 5.417 10.738 125 H LEU 13 HN LEU 13 5.386 6.748 6.508 126 HA LEU 13 HA LEU 13 6.948 5.872 4.219 127 HB2 LEU 13 HB2 LEU 13 7.351 8.528 5.530 128 HB3 LEU 13 HB1 LEU 13 7.711 8.043 3.886 129 HG LEU 13 HG LEU 13 5.137 8.954 5.071 130 HD11 LEU 13 HD11 LEU 13 6.630 10.589 4.083 131 HD12 LEU 13 HD12 LEU 13 5.147 10.437 3.139 132 HD13 LEU 13 HD13 LEU 13 6.636 9.679 2.571 133 HD21 LEU 13 HD21 LEU 13 5.318 7.564 2.414 134 HD22 LEU 13 HD22 LEU 13 3.882 8.285 3.148 135 HD23 LEU 13 HD23 LEU 13 4.622 6.858 3.873 136 H ALA 14 HN ALA 14 9.031 5.631 4.488 137 HA ALA 14 HA ALA 14 9.929 4.492 6.892 138 HB1 ALA 14 HB1 ALA 14 12.087 4.227 5.797 139 HB2 ALA 14 HB2 ALA 14 11.597 5.355 4.533 140 HB3 ALA 14 HB3 ALA 14 10.772 3.806 4.701 141 H ASP 15 HN ASP 15 9.796 7.699 5.976 142 HA ASP 15 HA ASP 15 12.083 8.697 7.430 143 HB2 ASP 15 HB2 ASP 15 11.518 10.072 5.632 144 HB3 ASP 15 HB1 ASP 15 9.785 9.895 5.913 145 H GLY 16 HN GLY 16 8.711 8.042 7.975 146 HA2 GLY 16 HA2 GLY 16 8.000 7.738 10.321 147 HA3 GLY 16 HA1 GLY 16 8.940 9.187 10.692 148 H SER 17 HN SER 17 7.996 10.267 8.019 149 HA SER 17 HA SER 17 5.544 11.397 8.852 150 HB2 SER 17 HB2 SER 17 5.674 12.416 6.497 151 HB3 SER 17 HB1 SER 17 7.003 12.767 7.601 152 HG SER 17 HG SER 17 8.337 11.615 6.441 153 H GLN 18 HN GLN 18 3.580 11.444 7.510 154 HA GLN 18 HA GLN 18 3.246 9.524 5.428 155 HB2 GLN 18 HB2 GLN 18 1.298 9.224 7.689 156 HB3 GLN 18 HB1 GLN 18 1.390 8.350 6.167 157 HG2 GLN 18 HG2 GLN 18 2.200 6.792 7.613 158 HG3 GLN 18 HG1 GLN 18 3.697 7.570 7.108 159 HE21 GLN 18 HE21 GLN 18 1.443 9.132 9.267 160 HE22 GLN 18 HE22 GLN 18 2.443 9.034 10.684 161 HA PRO 19 HA PRO 19 -1.231 10.153 6.286 162 HB2 PRO 19 HB2 PRO 19 -1.567 13.068 6.425 163 HB3 PRO 19 HB1 PRO 19 -2.382 11.794 7.332 164 HG2 PRO 19 HG2 PRO 19 -0.116 13.402 8.122 165 HG3 PRO 19 HG1 PRO 19 -1.022 12.223 9.082 166 HD2 PRO 19 HD2 PRO 19 1.577 11.871 8.301 167 HD3 PRO 19 HD1 PRO 19 0.454 10.530 8.614 168 HA PRO 20 HA PRO 20 -1.615 11.492 2.107 169 HB2 PRO 20 HB2 PRO 20 -1.079 9.177 0.897 170 HB3 PRO 20 HB1 PRO 20 0.191 10.262 1.465 171 HG2 PRO 20 HG2 PRO 20 -0.569 7.631 2.500 172 HG3 PRO 20 HG1 PRO 20 0.919 8.551 2.776 173 HD2 PRO 20 HD2 PRO 20 -1.510 8.413 4.414 174 HD3 PRO 20 HD1 PRO 20 0.108 9.014 4.850 175 H PHE 21 HN PHE 21 -3.890 11.600 2.071 176 HA PHE 21 HA PHE 21 -5.228 9.130 2.882 177 HB2 PHE 21 HB2 PHE 21 -6.149 10.319 4.495 178 HB3 PHE 21 HB1 PHE 21 -5.418 11.778 3.857 179 HD1 PHE 21 HD2 PHE 21 -8.387 9.592 3.729 180 HD2 PHE 21 HD1 PHE 21 -6.770 13.401 2.726 181 HE1 PHE 21 HE2 PHE 21 -10.643 10.400 3.179 182 HE2 PHE 21 HE1 PHE 21 -9.025 14.217 2.180 183 HZ PHE 21 HZ PHE 21 -10.965 12.714 2.403 184 H GLY 22 HN GLY 22 -5.854 8.177 1.179 185 HA2 GLY 22 HA2 GLY 22 -7.211 8.093 -0.868 186 HA3 GLY 22 HA1 GLY 22 -6.660 9.746 -1.154 187 H ALA 23 HN ALA 23 -4.202 8.220 0.406 188 HA ALA 23 HA ALA 23 -2.512 7.911 -1.644 189 HB1 ALA 23 HB1 ALA 23 -1.819 7.757 0.687 190 HB2 ALA 23 HB2 ALA 23 -1.166 6.424 -0.266 191 HB3 ALA 23 HB3 ALA 23 -2.544 6.156 0.800 192 H SER 24 HN SER 24 -3.585 7.130 -3.361 193 HA SER 24 HA SER 24 -4.540 4.563 -3.755 194 HB2 SER 24 HB2 SER 24 -3.751 6.839 -5.364 195 HB3 SER 24 HB1 SER 24 -3.334 5.328 -6.175 196 HG SER 24 HG SER 24 -5.399 4.920 -6.471 197 H VAL 25 HN VAL 25 -3.328 2.824 -3.102 198 HA VAL 25 HA VAL 25 -0.505 2.750 -3.865 199 HB VAL 25 HB VAL 25 -0.286 0.692 -2.585 200 HG11 VAL 25 HG11 VAL 25 0.132 2.768 -1.417 201 HG12 VAL 25 HG12 VAL 25 -0.591 1.595 -0.321 202 HG13 VAL 25 HG13 VAL 25 -1.572 2.899 -0.990 203 HG21 VAL 25 HG21 VAL 25 -2.072 -0.108 -1.111 204 HG22 VAL 25 HG22 VAL 25 -2.505 -0.236 -2.814 205 HG23 VAL 25 HG23 VAL 25 -3.175 1.065 -1.830 206 H THR 26 HN THR 26 -0.136 2.089 -5.838 207 HA THR 26 HA THR 26 -1.905 0.021 -6.979 208 HB THR 26 HB THR 26 -2.913 2.028 -7.843 209 HG1 THR 26 HG1 THR 26 -2.986 1.234 -9.747 210 HG21 THR 26 HG21 THR 26 -1.691 3.704 -9.118 211 HG22 THR 26 HG22 THR 26 -0.178 2.855 -8.803 212 HG23 THR 26 HG23 THR 26 -1.065 3.597 -7.472 213 H SER 27 HN SER 27 -0.733 -1.285 -8.567 214 HA SER 27 HA SER 27 2.113 -1.047 -7.908 215 HB2 SER 27 HB2 SER 27 2.138 -3.263 -7.632 216 HB3 SER 27 HB1 SER 27 0.413 -3.333 -7.986 217 HG SER 27 HG SER 27 2.271 -4.437 -9.362 218 H GLU 28 HN GLU 28 3.528 -0.750 -9.536 219 HA GLU 28 HA GLU 28 3.280 1.346 -10.888 220 HB2 GLU 28 HB2 GLU 28 4.617 -1.088 -12.017 221 HB3 GLU 28 HB1 GLU 28 4.856 0.538 -12.659 222 HG2 GLU 28 HG2 GLU 28 5.810 1.303 -10.649 223 HG3 GLU 28 HG1 GLU 28 5.274 -0.119 -9.763 224 H LYS 29 HN LYS 29 1.875 -1.512 -12.592 225 HA LYS 29 HA LYS 29 1.396 0.055 -14.985 226 HB2 LYS 29 HB2 LYS 29 1.695 -2.484 -14.916 227 HB3 LYS 29 HB1 LYS 29 0.056 -2.549 -14.280 228 HG2 LYS 29 HG2 LYS 29 -0.277 -0.959 -16.462 229 HG3 LYS 29 HG1 LYS 29 1.003 -2.044 -17.005 230 HD2 LYS 29 HD2 LYS 29 -1.095 -3.016 -17.614 231 HD3 LYS 29 HD1 LYS 29 -0.426 -3.964 -16.285 232 HE2 LYS 29 HE2 LYS 29 -2.826 -3.561 -15.991 233 HE3 LYS 29 HE1 LYS 29 -1.880 -2.811 -14.707 234 HZ1 LYS 29 HZ1 LYS 29 -2.107 -0.680 -15.790 235 HZ2 LYS 29 HZ2 LYS 29 -3.643 -1.355 -15.552 236 HZ3 LYS 29 HZ3 LYS 29 -2.939 -1.382 -17.088 237 H GLY 30 HN GLY 30 -0.308 -0.642 -12.027 238 HA2 GLY 30 HA2 GLY 30 -1.836 1.218 -11.355 239 HA3 GLY 30 HA1 GLY 30 -2.565 0.950 -12.917 240 H ARG 31 HN ARG 31 -1.196 -1.301 -10.647 241 HA ARG 31 HA ARG 31 -3.647 -2.849 -10.759 242 HB2 ARG 31 HB2 ARG 31 -0.866 -3.463 -9.801 243 HB3 ARG 31 HB1 ARG 31 -2.241 -4.411 -9.234 244 HG2 ARG 31 HG2 ARG 31 -2.608 -5.363 -11.286 245 HG3 ARG 31 HG1 ARG 31 -1.863 -4.027 -12.162 246 HD2 ARG 31 HD2 ARG 31 -0.615 -6.283 -12.031 247 HD3 ARG 31 HD1 ARG 31 0.287 -4.794 -11.766 248 HE ARG 31 HE ARG 31 0.488 -5.322 -9.503 249 HH11 ARG 31 HH11 ARG 31 -1.358 -7.763 -11.211 250 HH12 ARG 31 HH12 ARG 31 -1.161 -8.954 -9.973 251 HH21 ARG 31 HH21 ARG 31 0.761 -6.878 -7.879 252 HH22 ARG 31 HH22 ARG 31 0.026 -8.448 -8.064 253 H GLU 32 HN GLU 32 -4.856 -1.320 -9.646 254 HA GLU 32 HA GLU 32 -3.952 -0.072 -7.299 255 HB2 GLU 32 HB2 GLU 32 -6.590 -0.275 -8.700 256 HB3 GLU 32 HB1 GLU 32 -6.486 0.499 -7.123 257 HG2 GLU 32 HG2 GLU 32 -4.601 1.321 -9.292 258 HG3 GLU 32 HG1 GLU 32 -6.275 1.906 -9.310 259 H LEU 33 HN LEU 33 -3.611 -1.032 -5.456 260 HA LEU 33 HA LEU 33 -5.024 -3.524 -4.825 261 HB2 LEU 33 HB2 LEU 33 -2.729 -2.253 -3.330 262 HB3 LEU 33 HB1 LEU 33 -3.345 -3.882 -3.148 263 HG LEU 33 HG LEU 33 -1.800 -2.764 -5.484 264 HD11 LEU 33 HD11 LEU 33 -0.200 -4.516 -4.902 265 HD12 LEU 33 HD12 LEU 33 -1.217 -4.992 -3.541 266 HD13 LEU 33 HD13 LEU 33 -0.459 -3.401 -3.560 267 HD21 LEU 33 HD21 LEU 33 -3.060 -5.493 -5.225 268 HD22 LEU 33 HD22 LEU 33 -2.004 -4.951 -6.531 269 HD23 LEU 33 HD23 LEU 33 -3.592 -4.213 -6.317 270 H GLY 34 HN GLY 34 -4.509 -0.170 -3.704 271 HA2 GLY 34 HA2 GLY 34 -7.068 -0.040 -2.513 272 HA3 GLY 34 HA1 GLY 34 -5.937 -0.485 -1.244 273 H MET 35 HN MET 35 -6.774 1.608 -0.307 274 HA MET 35 HA MET 35 -5.181 3.896 -1.137 275 HB2 MET 35 HB2 MET 35 -8.194 4.121 -1.054 276 HB3 MET 35 HB1 MET 35 -7.044 5.404 -1.448 277 HG2 MET 35 HG2 MET 35 -6.535 4.503 -3.498 278 HG3 MET 35 HG1 MET 35 -7.055 2.884 -2.998 279 HE1 MET 35 HE1 MET 35 -7.760 4.282 -5.818 280 HE2 MET 35 HE2 MET 35 -9.452 3.817 -6.000 281 HE3 MET 35 HE3 MET 35 -8.277 2.651 -5.389 282 H VAL 36 HN VAL 36 -4.783 5.317 0.527 283 HA VAL 36 HA VAL 36 -5.334 4.320 3.202 284 HB VAL 36 HB VAL 36 -3.916 6.813 2.238 285 HG11 VAL 36 HG11 VAL 36 -3.243 7.227 4.544 286 HG12 VAL 36 HG12 VAL 36 -4.241 5.880 5.090 287 HG13 VAL 36 HG13 VAL 36 -4.997 7.307 4.380 288 HG21 VAL 36 HG21 VAL 36 -2.873 4.386 3.671 289 HG22 VAL 36 HG22 VAL 36 -1.935 5.769 3.102 290 HG23 VAL 36 HG23 VAL 36 -2.722 4.695 1.942 291 H ALA 37 HN ALA 37 -6.623 5.297 4.799 292 HA ALA 37 HA ALA 37 -8.070 7.728 4.002 293 HB1 ALA 37 HB1 ALA 37 -9.427 5.331 5.230 294 HB2 ALA 37 HB2 ALA 37 -9.572 5.845 3.548 295 HB3 ALA 37 HB3 ALA 37 -10.185 6.877 4.840 296 H ASP 38 HN ASP 38 -5.966 7.965 5.552 297 HA ASP 38 HA ASP 38 -6.747 9.258 7.906 298 HB2 ASP 38 HB2 ASP 38 -6.174 7.693 9.643 299 HB3 ASP 38 HB1 ASP 38 -7.315 6.872 8.595 300 H GLU 39 HN GLU 39 -4.552 8.435 9.500 301 HA GLU 39 HA GLU 39 -2.307 9.793 8.638 302 HB2 GLU 39 HB2 GLU 39 -2.679 7.445 10.486 303 HB3 GLU 39 HB1 GLU 39 -1.111 8.215 10.247 304 HG2 GLU 39 HG2 GLU 39 -3.565 9.698 11.135 305 HG3 GLU 39 HG1 GLU 39 -2.402 8.971 12.251 306 H GLY 40 HN GLY 40 -3.118 6.325 8.154 307 HA2 GLY 40 HA2 GLY 40 -1.683 6.069 5.865 308 HA3 GLY 40 HA1 GLY 40 -0.499 5.705 7.113 309 H LEU 41 HN LEU 41 -3.979 4.735 6.994 310 HA LEU 41 HA LEU 41 -2.970 2.086 6.301 311 HB2 LEU 41 HB2 LEU 41 -4.821 1.161 7.550 312 HB3 LEU 41 HB1 LEU 41 -3.890 2.246 8.541 313 HG LEU 41 HG LEU 41 -5.766 3.971 7.910 314 HD11 LEU 41 HD11 LEU 41 -7.965 2.892 7.748 315 HD12 LEU 41 HD12 LEU 41 -7.169 1.327 7.570 316 HD13 LEU 41 HD13 LEU 41 -6.957 2.571 6.338 317 HD21 LEU 41 HD21 LEU 41 -6.980 3.287 9.927 318 HD22 LEU 41 HD22 LEU 41 -5.233 3.246 10.159 319 HD23 LEU 41 HD23 LEU 41 -6.125 1.746 9.909 320 H ALA 42 HN ALA 42 -3.807 0.982 4.694 321 HA ALA 42 HA ALA 42 -6.145 2.067 3.322 322 HB1 ALA 42 HB1 ALA 42 -5.279 1.692 1.117 323 HB2 ALA 42 HB2 ALA 42 -3.821 0.924 1.771 324 HB3 ALA 42 HB3 ALA 42 -4.077 2.653 1.994 325 H TRP 43 HN TRP 43 -7.635 0.565 3.467 326 HA TRP 43 HA TRP 43 -7.033 -2.171 4.140 327 HB2 TRP 43 HB2 TRP 43 -9.487 -0.582 3.675 328 HB3 TRP 43 HB1 TRP 43 -9.574 -2.348 3.705 329 HD1 TRP 43 HD1 TRP 43 -8.663 0.623 5.945 330 HE1 TRP 43 HE1 TRP 43 -8.322 -0.263 8.332 331 HE3 TRP 43 HE3 TRP 43 -9.216 -4.359 5.014 332 HZ2 TRP 43 HZ2 TRP 43 -8.284 -2.738 9.562 333 HZ3 TRP 43 HZ3 TRP 43 -9.024 -5.941 6.891 334 HH2 TRP 43 HH2 TRP 43 -8.578 -5.135 9.158 335 H LEU 44 HN LEU 44 -6.091 -3.243 2.318 336 HA LEU 44 HA LEU 44 -6.888 -2.315 -0.345 337 HB2 LEU 44 HB2 LEU 44 -4.806 -4.414 0.128 338 HB3 LEU 44 HB1 LEU 44 -4.992 -3.331 -1.240 339 HG LEU 44 HG LEU 44 -3.858 -2.668 1.474 340 HD11 LEU 44 HD11 LEU 44 -1.848 -2.145 0.142 341 HD12 LEU 44 HD12 LEU 44 -2.682 -2.731 -1.300 342 HD13 LEU 44 HD13 LEU 44 -2.327 -3.839 0.026 343 HD21 LEU 44 HD21 LEU 44 -4.348 -0.836 -0.859 344 HD22 LEU 44 HD22 LEU 44 -3.491 -0.427 0.626 345 HD23 LEU 44 HD23 LEU 44 -5.212 -0.809 0.677 346 H SER 45 HN SER 45 -6.718 -4.582 -1.770 347 HA SER 45 HA SER 45 -7.908 -6.674 -0.405 348 HB2 SER 45 HB2 SER 45 -9.954 -6.878 -1.734 349 HB3 SER 45 HB1 SER 45 -9.976 -5.478 -0.673 350 HG SER 45 HG SER 45 -9.187 -5.304 -3.390 351 H GLY 46 HN GLY 46 -6.012 -7.592 -1.130 352 HA2 GLY 46 HA2 GLY 46 -5.467 -9.300 -2.878 353 HA3 GLY 46 HA1 GLY 46 -6.137 -8.195 -4.070 354 H VAL 47 HN VAL 47 -3.395 -9.005 -2.135 355 HA VAL 47 HA VAL 47 -1.876 -6.912 -3.527 356 HB VAL 47 HB VAL 47 -2.002 -6.318 -1.144 357 HG11 VAL 47 HG11 VAL 47 -2.308 -8.537 -0.191 358 HG12 VAL 47 HG12 VAL 47 -0.943 -7.713 0.563 359 HG13 VAL 47 HG13 VAL 47 -0.659 -8.972 -0.640 360 HG21 VAL 47 HG21 VAL 47 0.395 -6.085 -0.716 361 HG22 VAL 47 HG22 VAL 47 0.000 -5.727 -2.398 362 HG23 VAL 47 HG23 VAL 47 0.736 -7.273 -1.975 363 H THR 48 HN THR 48 0.097 -7.564 -4.381 364 HA THR 48 HA THR 48 0.560 -10.467 -4.331 365 HB THR 48 HB THR 48 1.474 -8.536 -6.473 366 HG1 THR 48 HG1 THR 48 -0.926 -9.425 -6.119 367 HG21 THR 48 HG21 THR 48 1.524 -11.555 -6.382 368 HG22 THR 48 HG22 THR 48 2.924 -10.501 -6.196 369 HG23 THR 48 HG23 THR 48 2.056 -10.549 -7.729 370 HA PRO 49 HA PRO 49 4.086 -9.229 -1.962 371 HB2 PRO 49 HB2 PRO 49 5.289 -11.646 -1.836 372 HB3 PRO 49 HB1 PRO 49 3.825 -11.268 -0.924 373 HG2 PRO 49 HG2 PRO 49 4.121 -12.769 -3.498 374 HG3 PRO 49 HG1 PRO 49 3.098 -13.140 -2.093 375 HD2 PRO 49 HD2 PRO 49 2.150 -11.935 -4.349 376 HD3 PRO 49 HD1 PRO 49 1.466 -11.657 -2.733 377 H GLY 50 HN GLY 50 5.917 -8.179 -2.658 378 HA2 GLY 50 HA2 GLY 50 8.210 -8.503 -3.413 379 HA3 GLY 50 HA1 GLY 50 7.612 -9.699 -4.558 380 H GLU 51 HN GLU 51 6.479 -6.339 -3.875 381 HA GLU 51 HA GLU 51 6.906 -5.868 -6.735 382 HB2 GLU 51 HB2 GLU 51 4.384 -4.992 -5.348 383 HB3 GLU 51 HB1 GLU 51 4.844 -4.614 -6.997 384 HG2 GLU 51 HG2 GLU 51 4.798 -7.096 -7.430 385 HG3 GLU 51 HG1 GLU 51 4.045 -7.232 -5.843 386 H THR 52 HN THR 52 6.492 -3.499 -7.222 387 HA THR 52 HA THR 52 7.035 -1.887 -4.874 388 HB THR 52 HB THR 52 8.098 -0.186 -6.529 389 HG1 THR 52 HG1 THR 52 7.540 -1.668 -8.381 390 HG21 THR 52 HG21 THR 52 9.332 -1.262 -4.729 391 HG22 THR 52 HG22 THR 52 10.318 -1.182 -6.189 392 HG23 THR 52 HG23 THR 52 9.556 -2.702 -5.723 393 H LEU 53 HN LEU 53 4.982 -1.434 -4.506 394 HA LEU 53 HA LEU 53 2.945 -0.554 -6.206 395 HB2 LEU 53 HB2 LEU 53 3.660 -0.116 -3.336 396 HB3 LEU 53 HB1 LEU 53 2.346 0.807 -4.050 397 HG LEU 53 HG LEU 53 2.437 -2.194 -4.031 398 HD11 LEU 53 HD11 LEU 53 2.388 -1.364 -1.733 399 HD12 LEU 53 HD12 LEU 53 0.838 -2.074 -2.187 400 HD13 LEU 53 HD13 LEU 53 1.024 -0.321 -2.138 401 HD21 LEU 53 HD21 LEU 53 0.281 -0.158 -4.552 402 HD22 LEU 53 HD22 LEU 53 0.032 -1.909 -4.492 403 HD23 LEU 53 HD23 LEU 53 1.047 -1.204 -5.752 404 H SER 54 HN SER 54 2.463 1.486 -7.040 405 HA SER 54 HA SER 54 4.016 3.671 -5.987 406 HB2 SER 54 HB2 SER 54 3.285 4.885 -8.091 407 HB3 SER 54 HB1 SER 54 4.367 3.511 -8.346 408 HG SER 54 HG SER 54 2.715 3.277 -9.783 409 H VAL 55 HN VAL 55 3.149 5.203 -4.813 410 HA VAL 55 HA VAL 55 0.283 4.822 -4.346 411 HB VAL 55 HB VAL 55 2.344 5.853 -2.422 412 HG11 VAL 55 HG11 VAL 55 0.686 5.326 -0.719 413 HG12 VAL 55 HG12 VAL 55 -0.438 4.813 -1.977 414 HG13 VAL 55 HG13 VAL 55 0.066 6.500 -1.879 415 HG21 VAL 55 HG21 VAL 55 1.333 3.055 -2.824 416 HG22 VAL 55 HG22 VAL 55 2.248 3.589 -1.415 417 HG23 VAL 55 HG23 VAL 55 2.990 3.634 -3.016 418 H ASN 56 HN ASN 56 -0.938 6.361 -5.096 419 HA ASN 56 HA ASN 56 0.122 9.017 -5.646 420 HB2 ASN 56 HB2 ASN 56 -2.571 7.752 -6.174 421 HB3 ASN 56 HB1 ASN 56 -2.270 9.463 -6.432 422 HD21 ASN 56 HD21 ASN 56 -1.712 6.241 -7.545 423 HD22 ASN 56 HD22 ASN 56 -1.009 6.684 -9.077 424 H TRP 57 HN TRP 57 -0.322 10.752 -4.527 425 HA TRP 57 HA TRP 57 -1.911 10.497 -2.120 426 HB2 TRP 57 HB2 TRP 57 0.238 9.757 -1.534 427 HB3 TRP 57 HB1 TRP 57 1.007 10.998 -2.513 428 HD1 TRP 57 HD1 TRP 57 -1.415 12.778 -0.512 429 HE1 TRP 57 HE1 TRP 57 -0.336 13.850 1.517 430 HE3 TRP 57 HE3 TRP 57 2.935 10.112 -0.408 431 HZ2 TRP 57 HZ2 TRP 57 1.946 13.621 2.900 432 HZ3 TRP 57 HZ3 TRP 57 4.512 10.636 1.415 433 HH2 TRP 57 HH2 TRP 57 4.039 12.356 3.043 434 H ASP 58 HN ASP 58 -2.787 12.354 -1.264 435 HA ASP 58 HA ASP 58 -3.600 14.615 -2.111 436 HB2 ASP 58 HB2 ASP 58 -1.657 14.476 0.197 437 HB3 ASP 58 HB1 ASP 58 -2.733 15.835 -0.111 438 H GLY 59 HN GLY 59 -0.133 14.928 -1.016 439 HA2 GLY 59 HA2 GLY 59 0.303 17.173 -2.543 440 HA3 GLY 59 HA1 GLY 59 1.591 16.058 -2.099 441 H LYS 60 HN LYS 60 0.426 13.894 -3.810 442 HA LYS 60 HA LYS 60 0.423 14.270 -6.479 443 HB2 LYS 60 HB2 LYS 60 2.706 14.320 -7.193 444 HB3 LYS 60 HB1 LYS 60 2.535 15.628 -6.024 445 HG2 LYS 60 HG2 LYS 60 3.187 13.754 -4.314 446 HG3 LYS 60 HG1 LYS 60 3.897 13.013 -5.764 447 HD2 LYS 60 HD2 LYS 60 5.063 15.230 -6.209 448 HD3 LYS 60 HD1 LYS 60 4.598 15.684 -4.568 449 HE2 LYS 60 HE2 LYS 60 6.863 14.792 -4.610 450 HE3 LYS 60 HE1 LYS 60 5.789 13.737 -3.692 451 HZ1 LYS 60 HZ1 LYS 60 5.615 12.294 -5.643 452 HZ2 LYS 60 HZ2 LYS 60 7.223 12.450 -5.140 453 HZ3 LYS 60 HZ3 LYS 60 6.680 13.298 -6.493 454 H ILE 61 HN ILE 61 2.417 12.297 -7.232 455 HA ILE 61 HA ILE 61 1.466 10.043 -5.677 456 HB ILE 61 HB ILE 61 1.362 9.818 -8.288 457 HG12 ILE 61 HG12 ILE 61 2.825 7.780 -6.595 458 HG13 ILE 61 HG11 ILE 61 1.068 7.908 -6.741 459 HG21 ILE 61 HG21 ILE 61 4.301 9.319 -7.853 460 HG22 ILE 61 HG22 ILE 61 3.625 10.720 -8.695 461 HG23 ILE 61 HG23 ILE 61 3.408 9.100 -9.362 462 HD11 ILE 61 HD11 ILE 61 1.873 6.086 -8.082 463 HD12 ILE 61 HD12 ILE 61 3.015 7.143 -8.913 464 HD13 ILE 61 HD13 ILE 61 1.280 7.365 -9.140 465 H GLN 62 HN GLN 62 3.158 9.206 -4.294 466 HA GLN 62 HA GLN 62 5.474 10.888 -4.543 467 HB2 GLN 62 HB2 GLN 62 4.585 10.871 -1.770 468 HB3 GLN 62 HB1 GLN 62 5.319 12.136 -2.754 469 HG2 GLN 62 HG2 GLN 62 2.992 12.303 -3.822 470 HG3 GLN 62 HG1 GLN 62 2.465 11.501 -2.331 471 HE21 GLN 62 HE21 GLN 62 1.345 13.336 -1.659 472 HE22 GLN 62 HE22 GLN 62 2.164 14.750 -1.050 473 H CYS 63 HN CYS 63 3.968 8.407 -2.487 474 HA CYS 63 HA CYS 63 6.703 7.522 -2.004 475 HB2 CYS 63 HB2 CYS 63 5.982 6.335 -0.028 476 HB3 CYS 63 HB1 CYS 63 5.545 8.035 0.135 477 H GLN 64 HN GLN 64 6.965 5.232 -2.237 478 HA GLN 64 HA GLN 64 4.852 4.013 -3.819 479 HB2 GLN 64 HB2 GLN 64 7.766 4.043 -4.608 480 HB3 GLN 64 HB1 GLN 64 6.496 3.086 -5.381 481 HG2 GLN 64 HG2 GLN 64 5.279 5.103 -5.905 482 HG3 GLN 64 HG1 GLN 64 6.557 6.051 -5.140 483 HE21 GLN 64 HE21 GLN 64 8.685 4.356 -6.160 484 HE22 GLN 64 HE22 GLN 64 8.848 4.729 -7.840 485 H VAL 65 HN VAL 65 4.974 1.566 -3.500 486 HA VAL 65 HA VAL 65 6.064 1.531 -0.859 487 HB VAL 65 HB VAL 65 3.416 0.495 -1.714 488 HG11 VAL 65 HG11 VAL 65 5.012 -0.693 0.560 489 HG12 VAL 65 HG12 VAL 65 4.496 -1.540 -0.899 490 HG13 VAL 65 HG13 VAL 65 3.296 -0.969 0.261 491 HG21 VAL 65 HG21 VAL 65 4.497 1.750 0.773 492 HG22 VAL 65 HG22 VAL 65 2.800 1.381 0.457 493 HG23 VAL 65 HG23 VAL 65 3.643 2.579 -0.526 494 H ASN 66 HN ASN 66 7.111 -0.340 -0.139 495 HA ASN 66 HA ASN 66 7.807 -2.088 -2.378 496 HB2 ASN 66 HB2 ASN 66 9.793 -1.097 -1.350 497 HB3 ASN 66 HB1 ASN 66 9.280 -1.678 0.237 498 HD21 ASN 66 HD21 ASN 66 10.598 -2.573 -2.855 499 HD22 ASN 66 HD22 ASN 66 11.139 -4.145 -2.391 500 H VAL 67 HN VAL 67 6.855 -4.051 -2.407 501 HA VAL 67 HA VAL 67 5.688 -4.952 0.096 502 HB VAL 67 HB VAL 67 3.931 -4.412 -1.570 503 HG11 VAL 67 HG11 VAL 67 5.065 -6.764 -3.013 504 HG12 VAL 67 HG12 VAL 67 4.983 -5.096 -3.580 505 HG13 VAL 67 HG13 VAL 67 3.500 -6.021 -3.340 506 HG21 VAL 67 HG21 VAL 67 3.490 -5.905 0.296 507 HG22 VAL 67 HG22 VAL 67 4.086 -7.273 -0.643 508 HG23 VAL 67 HG23 VAL 67 2.619 -6.432 -1.145 509 HA PRO 68 HA PRO 68 8.576 -8.209 -0.376 510 HB2 PRO 68 HB2 PRO 68 8.431 -9.118 2.124 511 HB3 PRO 68 HB1 PRO 68 9.138 -7.537 1.770 512 HG2 PRO 68 HG2 PRO 68 6.456 -8.209 2.884 513 HG3 PRO 68 HG1 PRO 68 7.528 -6.854 3.276 514 HD2 PRO 68 HD2 PRO 68 5.326 -6.771 1.544 515 HD3 PRO 68 HD1 PRO 68 6.609 -5.553 1.660 516 H GLU 69 HN GLU 69 8.566 -10.606 0.423 517 HA GLU 69 HA GLU 69 6.421 -11.837 -1.078 518 HB2 GLU 69 HB2 GLU 69 7.669 -13.878 -0.856 519 HB3 GLU 69 HB1 GLU 69 8.782 -12.592 -1.291 520 HG2 GLU 69 HG2 GLU 69 8.404 -13.753 1.465 521 HG3 GLU 69 HG1 GLU 69 9.748 -14.079 0.374 522 H THR 70 HN THR 70 7.419 -11.488 2.263 523 HA THR 70 HA THR 70 5.665 -13.350 3.335 524 HB THR 70 HB THR 70 7.606 -12.468 4.538 525 HG1 THR 70 HG1 THR 70 5.066 -12.174 5.766 526 HG21 THR 70 HG21 THR 70 7.526 -10.259 5.610 527 HG22 THR 70 HG22 THR 70 6.000 -9.922 4.788 528 HG23 THR 70 HG23 THR 70 7.480 -10.134 3.851 529 H ALA 71 HN ALA 71 4.167 -11.710 1.507 530 HA ALA 71 HA ALA 71 2.530 -9.834 2.998 531 HB1 ALA 71 HB1 ALA 71 2.942 -9.413 0.629 532 HB2 ALA 71 HB2 ALA 71 1.223 -9.673 0.926 533 HB3 ALA 71 HB3 ALA 71 2.199 -10.956 0.214 534 H ILE 72 HN ILE 72 0.679 -10.243 3.939 535 HA ILE 72 HA ILE 72 -0.065 -13.002 4.246 536 HB ILE 72 HB ILE 72 0.369 -11.380 6.129 537 HG12 ILE 72 HG12 ILE 72 -1.504 -12.260 7.528 538 HG13 ILE 72 HG11 ILE 72 -2.278 -12.851 6.062 539 HG21 ILE 72 HG21 ILE 72 -2.343 -10.355 5.316 540 HG22 ILE 72 HG22 ILE 72 -0.820 -9.468 5.261 541 HG23 ILE 72 HG23 ILE 72 -1.506 -9.945 6.814 542 HD11 ILE 72 HD11 ILE 72 -0.336 -14.301 5.652 543 HD12 ILE 72 HD12 ILE 72 -1.139 -14.650 7.182 544 HD13 ILE 72 HD13 ILE 72 0.374 -13.744 7.167 545 H SER 73 HN SER 73 -2.505 -13.475 4.495 546 HA SER 73 HA SER 73 -3.827 -12.330 2.127 547 HB2 SER 73 HB2 SER 73 -4.280 -15.138 3.138 548 HB3 SER 73 HB1 SER 73 -4.717 -14.459 1.572 549 HG SER 73 HG SER 73 -2.663 -15.870 1.954 550 H ASP 74 HN ASP 74 -5.982 -11.613 2.455 551 HA ASP 74 HA ASP 74 -7.645 -10.735 3.732 552 HB2 ASP 74 HB2 ASP 74 -7.565 -13.586 4.735 553 HB3 ASP 74 HB1 ASP 74 -8.947 -12.502 4.862 554 H GLN 75 HN GLN 75 -5.191 -10.041 4.985 555 HA GLN 75 HA GLN 75 -5.986 -9.864 7.727 556 HB2 GLN 75 HB2 GLN 75 -3.507 -11.413 6.996 557 HB3 GLN 75 HB1 GLN 75 -3.728 -10.684 8.579 558 HG2 GLN 75 HG2 GLN 75 -5.614 -12.684 7.358 559 HG3 GLN 75 HG1 GLN 75 -4.304 -13.096 8.463 560 HE21 GLN 75 HE21 GLN 75 -7.238 -13.362 8.688 561 HE22 GLN 75 HE22 GLN 75 -7.656 -12.557 10.168 562 H GLN 76 HN GLN 76 -3.520 -9.090 8.803 563 HA GLN 76 HA GLN 76 -3.412 -6.380 7.692 564 HB2 GLN 76 HB2 GLN 76 -4.065 -6.488 10.013 565 HB3 GLN 76 HB1 GLN 76 -2.689 -7.508 10.402 566 HG2 GLN 76 HG2 GLN 76 -1.184 -5.639 9.844 567 HG3 GLN 76 HG1 GLN 76 -2.595 -4.624 9.547 568 HE21 GLN 76 HE21 GLN 76 -0.677 -6.243 11.950 569 HE22 GLN 76 HE22 GLN 76 -1.363 -5.435 13.326 570 H LEU 77 HN LEU 77 -1.460 -5.379 7.198 571 HA LEU 77 HA LEU 77 1.035 -6.713 7.525 572 HB2 LEU 77 HB2 LEU 77 0.220 -7.899 5.529 573 HB3 LEU 77 HB1 LEU 77 -0.081 -6.367 4.734 574 HG LEU 77 HG LEU 77 2.374 -5.895 4.859 575 HD11 LEU 77 HD11 LEU 77 3.887 -7.771 5.265 576 HD12 LEU 77 HD12 LEU 77 2.512 -8.780 5.717 577 HD13 LEU 77 HD13 LEU 77 2.939 -7.380 6.701 578 HD21 LEU 77 HD21 LEU 77 2.949 -7.368 3.007 579 HD22 LEU 77 HD22 LEU 77 1.314 -6.730 2.827 580 HD23 LEU 77 HD23 LEU 77 1.559 -8.388 3.377 581 H LEU 78 HN LEU 78 2.590 -5.095 7.624 582 HA LEU 78 HA LEU 78 1.492 -2.426 7.208 583 HB2 LEU 78 HB2 LEU 78 3.282 -1.541 8.581 584 HB3 LEU 78 HB1 LEU 78 2.423 -2.794 9.464 585 HG LEU 78 HG LEU 78 5.024 -3.339 8.036 586 HD11 LEU 78 HD11 LEU 78 5.432 -1.547 9.614 587 HD12 LEU 78 HD12 LEU 78 6.121 -3.054 10.216 588 HD13 LEU 78 HD13 LEU 78 4.607 -2.446 10.884 589 HD21 LEU 78 HD21 LEU 78 5.160 -5.210 9.587 590 HD22 LEU 78 HD22 LEU 78 3.665 -5.288 8.653 591 HD23 LEU 78 HD23 LEU 78 3.631 -4.728 10.326 592 H LEU 79 HN LEU 79 2.685 -0.966 5.839 593 HA LEU 79 HA LEU 79 4.582 -2.342 4.119 594 HB2 LEU 79 HB2 LEU 79 2.131 -0.895 3.151 595 HB3 LEU 79 HB1 LEU 79 3.517 -1.204 2.123 596 HG LEU 79 HG LEU 79 1.774 -3.292 3.438 597 HD11 LEU 79 HD11 LEU 79 1.134 -3.853 1.157 598 HD12 LEU 79 HD12 LEU 79 2.140 -2.543 0.541 599 HD13 LEU 79 HD13 LEU 79 0.727 -2.179 1.532 600 HD21 LEU 79 HD21 LEU 79 4.116 -4.001 3.339 601 HD22 LEU 79 HD22 LEU 79 4.153 -3.636 1.614 602 HD23 LEU 79 HD23 LEU 79 3.112 -4.923 2.221 603 HA PRO 80 HA PRO 80 6.638 1.526 4.628 604 HB2 PRO 80 HB2 PRO 80 8.937 0.832 3.452 605 HB3 PRO 80 HB1 PRO 80 8.443 0.137 5.000 606 HG2 PRO 80 HG2 PRO 80 8.394 -1.064 2.280 607 HG3 PRO 80 HG1 PRO 80 8.679 -1.840 3.850 608 HD2 PRO 80 HD2 PRO 80 6.261 -1.811 2.404 609 HD3 PRO 80 HD1 PRO 80 6.477 -2.315 4.090 610 H CYS 81 HN CYS 81 6.163 3.257 3.515 611 HA CYS 81 HA CYS 81 6.062 3.304 0.626 612 HB2 CYS 81 HB2 CYS 81 5.304 5.101 2.824 613 HB3 CYS 81 HB1 CYS 81 5.932 5.918 1.393 614 H THR 82 HN THR 82 8.000 3.069 -0.280 615 HA THR 82 HA THR 82 10.332 4.470 0.776 616 HB THR 82 HB THR 82 11.481 3.315 -1.195 617 HG1 THR 82 HG1 THR 82 9.039 2.755 -1.904 618 HG21 THR 82 HG21 THR 82 11.588 1.152 -0.032 619 HG22 THR 82 HG22 THR 82 10.181 1.606 0.930 620 HG23 THR 82 HG23 THR 82 11.690 2.505 1.094 621 HA PRO 83 HA PRO 83 10.248 7.791 -2.173 622 HB2 PRO 83 HB2 PRO 83 12.891 7.084 -3.280 623 HB3 PRO 83 HB1 PRO 83 12.386 8.541 -2.418 624 HG2 PRO 83 HG2 PRO 83 13.987 6.722 -1.275 625 HG3 PRO 83 HG1 PRO 83 12.763 7.606 -0.342 626 HD2 PRO 83 HD2 PRO 83 12.678 4.811 -1.412 627 HD3 PRO 83 HD1 PRO 83 12.137 5.432 0.162 628 H GLN 84 HN GLN 84 11.310 8.142 -4.678 629 HA GLN 84 HA GLN 84 9.488 6.450 -6.211 630 HB2 GLN 84 HB2 GLN 84 11.019 8.941 -6.997 631 HB3 GLN 84 HB1 GLN 84 9.942 8.038 -8.062 632 HG2 GLN 84 HG2 GLN 84 8.055 8.554 -6.633 633 HG3 GLN 84 HG1 GLN 84 9.116 9.397 -5.503 634 HE21 GLN 84 HE21 GLN 84 9.499 9.560 -8.967 635 HE22 GLN 84 HE22 GLN 84 9.029 11.224 -9.134 636 H LYS 85 HN LYS 85 10.655 6.295 -8.627 637 HA LYS 85 HA LYS 85 13.192 5.000 -8.137 638 HB2 LYS 85 HB2 LYS 85 12.640 3.105 -9.607 639 HB3 LYS 85 HB1 LYS 85 11.618 3.116 -8.178 640 HG2 LYS 85 HG2 LYS 85 9.752 3.906 -9.413 641 HG3 LYS 85 HG1 LYS 85 10.753 4.248 -10.826 642 HD2 LYS 85 HD2 LYS 85 9.502 2.212 -11.195 643 HD3 LYS 85 HD1 LYS 85 11.217 1.831 -11.043 644 HE2 LYS 85 HE2 LYS 85 10.864 1.145 -8.725 645 HE3 LYS 85 HE1 LYS 85 9.153 1.549 -8.860 646 HZ1 LYS 85 HZ1 LYS 85 8.985 -0.122 -10.653 647 HZ2 LYS 85 HZ2 LYS 85 9.420 -0.798 -9.158 648 HZ3 LYS 85 HZ3 LYS 85 10.593 -0.571 -10.359 Start of MODEL 10 1 H1 VAL 1 HT1 VAL 1 1.131 -22.182 6.181 2 H2 VAL 1 HT2 VAL 1 -0.341 -22.062 5.348 3 H3 VAL 1 HT3 VAL 1 0.105 -20.857 6.453 4 HA VAL 1 HA VAL 1 1.974 -20.242 5.088 5 HB VAL 1 HB VAL 1 2.458 -22.339 4.012 6 HG11 VAL 1 HG11 VAL 1 0.224 -23.262 3.820 7 HG12 VAL 1 HG12 VAL 1 1.034 -23.288 2.253 8 HG13 VAL 1 HG13 VAL 1 -0.188 -22.063 2.593 9 HG21 VAL 1 HG21 VAL 1 3.139 -20.327 2.823 10 HG22 VAL 1 HG22 VAL 1 1.597 -20.297 1.966 11 HG23 VAL 1 HG23 VAL 1 2.732 -21.619 1.693 12 H LEU 2 HN LEU 2 -1.361 -20.991 4.129 13 HA LEU 2 HA LEU 2 -1.457 -18.514 2.561 14 HB2 LEU 2 HB2 LEU 2 -2.390 -20.536 1.497 15 HB3 LEU 2 HB1 LEU 2 -3.509 -20.716 2.833 16 HG LEU 2 HG LEU 2 -4.519 -18.520 2.220 17 HD11 LEU 2 HD11 LEU 2 -2.727 -18.773 -0.192 18 HD12 LEU 2 HD12 LEU 2 -2.609 -17.546 1.070 19 HD13 LEU 2 HD13 LEU 2 -4.019 -17.590 0.010 20 HD21 LEU 2 HD21 LEU 2 -5.725 -19.360 0.278 21 HD22 LEU 2 HD22 LEU 2 -5.504 -20.632 1.480 22 HD23 LEU 2 HD23 LEU 2 -4.492 -20.597 0.036 23 H LYS 3 HN LYS 3 -1.336 -17.139 4.376 24 HA LYS 3 HA LYS 3 -3.044 -17.262 6.535 25 HB2 LYS 3 HB2 LYS 3 -0.999 -15.841 6.353 26 HB3 LYS 3 HB1 LYS 3 -1.902 -14.735 5.329 27 HG2 LYS 3 HG2 LYS 3 -1.777 -13.917 7.608 28 HG3 LYS 3 HG1 LYS 3 -3.445 -14.285 7.162 29 HD2 LYS 3 HD2 LYS 3 -3.376 -16.351 8.380 30 HD3 LYS 3 HD1 LYS 3 -1.650 -16.163 8.689 31 HE2 LYS 3 HE2 LYS 3 -3.814 -14.325 9.708 32 HE3 LYS 3 HE1 LYS 3 -3.027 -15.589 10.649 33 HZ1 LYS 3 HZ1 LYS 3 -2.007 -13.492 11.132 34 HZ2 LYS 3 HZ2 LYS 3 -1.730 -13.181 9.493 35 HZ3 LYS 3 HZ3 LYS 3 -0.897 -14.436 10.264 36 H GLY 4 HN GLY 4 -3.536 -15.626 3.436 37 HA2 GLY 4 HA2 GLY 4 -6.295 -15.670 3.698 38 HA3 GLY 4 HA1 GLY 4 -5.779 -14.027 4.102 39 H LYS 5 HN LYS 5 -6.072 -12.753 2.736 40 HA LYS 5 HA LYS 5 -5.554 -13.401 -0.058 41 HB2 LYS 5 HB2 LYS 5 -8.006 -13.379 1.061 42 HB3 LYS 5 HB1 LYS 5 -7.817 -11.653 0.810 43 HG2 LYS 5 HG2 LYS 5 -9.009 -12.538 -1.037 44 HG3 LYS 5 HG1 LYS 5 -7.387 -12.126 -1.599 45 HD2 LYS 5 HD2 LYS 5 -6.782 -14.319 -1.876 46 HD3 LYS 5 HD1 LYS 5 -7.886 -14.895 -0.623 47 HE2 LYS 5 HE2 LYS 5 -8.729 -13.852 -3.325 48 HE3 LYS 5 HE1 LYS 5 -8.564 -15.558 -2.913 49 HZ1 LYS 5 HZ1 LYS 5 -10.259 -15.259 -1.196 50 HZ2 LYS 5 HZ2 LYS 5 -10.861 -14.848 -2.728 51 HZ3 LYS 5 HZ3 LYS 5 -10.433 -13.630 -1.629 52 H ARG 6 HN ARG 6 -6.777 -10.863 -0.367 53 HA ARG 6 HA ARG 6 -4.491 -9.060 -0.290 54 HB2 ARG 6 HB2 ARG 6 -6.184 -7.531 -1.306 55 HB3 ARG 6 HB1 ARG 6 -5.928 -8.990 -2.245 56 HG2 ARG 6 HG2 ARG 6 -7.944 -9.904 -0.912 57 HG3 ARG 6 HG1 ARG 6 -8.252 -8.202 -0.595 58 HD2 ARG 6 HD2 ARG 6 -9.520 -8.882 -2.519 59 HD3 ARG 6 HD1 ARG 6 -8.239 -7.772 -3.024 60 HE ARG 6 HE ARG 6 -7.111 -10.210 -3.350 61 HH11 ARG 6 HH11 ARG 6 -10.130 -8.811 -4.445 62 HH12 ARG 6 HH12 ARG 6 -10.189 -9.767 -5.895 63 HH21 ARG 6 HH21 ARG 6 -7.184 -11.461 -5.213 64 HH22 ARG 6 HH22 ARG 6 -8.499 -11.282 -6.341 65 H LEU 7 HN LEU 7 -4.743 -7.034 1.025 66 HA LEU 7 HA LEU 7 -6.940 -6.078 1.775 67 HB2 LEU 7 HB2 LEU 7 -6.546 -8.134 3.815 68 HB3 LEU 7 HB1 LEU 7 -7.078 -6.563 4.415 69 HG LEU 7 HG LEU 7 -8.345 -7.901 2.064 70 HD11 LEU 7 HD11 LEU 7 -9.218 -8.087 4.960 71 HD12 LEU 7 HD12 LEU 7 -8.610 -9.411 3.965 72 HD13 LEU 7 HD13 LEU 7 -10.153 -8.651 3.575 73 HD21 LEU 7 HD21 LEU 7 -9.311 -5.734 3.928 74 HD22 LEU 7 HD22 LEU 7 -10.227 -6.418 2.585 75 HD23 LEU 7 HD23 LEU 7 -8.741 -5.522 2.272 76 H PHE 8 HN PHE 8 -6.419 -5.359 4.738 77 HA PHE 8 HA PHE 8 -5.676 -2.746 3.692 78 HB2 PHE 8 HB2 PHE 8 -6.255 -2.012 6.057 79 HB3 PHE 8 HB1 PHE 8 -7.565 -2.509 4.994 80 HD1 PHE 8 HD2 PHE 8 -8.136 -5.144 5.239 81 HD2 PHE 8 HD1 PHE 8 -6.356 -2.689 8.223 82 HE1 PHE 8 HE2 PHE 8 -8.970 -6.666 6.979 83 HE2 PHE 8 HE1 PHE 8 -7.196 -4.204 9.968 84 HZ PHE 8 HZ PHE 8 -8.502 -6.197 9.350 85 H ALA 9 HN ALA 9 -3.848 -1.676 4.246 86 HA ALA 9 HA ALA 9 -1.956 -3.128 5.904 87 HB1 ALA 9 HB1 ALA 9 -1.466 -3.823 3.606 88 HB2 ALA 9 HB2 ALA 9 -0.145 -2.896 4.319 89 HB3 ALA 9 HB3 ALA 9 -1.231 -2.135 3.155 90 H ILE 10 HN ILE 10 -0.584 -1.888 6.996 91 HA ILE 10 HA ILE 10 -1.029 0.980 7.033 92 HB ILE 10 HB ILE 10 0.771 -0.704 8.789 93 HG12 ILE 10 HG12 ILE 10 -2.038 0.286 9.346 94 HG13 ILE 10 HG11 ILE 10 -1.622 -1.374 8.936 95 HG21 ILE 10 HG21 ILE 10 1.354 1.666 8.749 96 HG22 ILE 10 HG22 ILE 10 0.695 1.201 10.318 97 HG23 ILE 10 HG23 ILE 10 -0.305 2.091 9.169 98 HD11 ILE 10 HD11 ILE 10 -1.945 -1.139 11.319 99 HD12 ILE 10 HD12 ILE 10 -0.725 0.134 11.381 100 HD13 ILE 10 HD13 ILE 10 -0.258 -1.516 10.967 101 H LEU 11 HN LEU 11 0.283 2.266 5.842 102 HA LEU 11 HA LEU 11 2.826 1.195 5.008 103 HB2 LEU 11 HB2 LEU 11 2.699 2.668 2.997 104 HB3 LEU 11 HB1 LEU 11 1.593 1.312 2.961 105 HG LEU 11 HG LEU 11 0.648 4.022 3.848 106 HD11 LEU 11 HD11 LEU 11 0.800 2.998 1.014 107 HD12 LEU 11 HD12 LEU 11 1.720 4.347 1.680 108 HD13 LEU 11 HD13 LEU 11 -0.035 4.461 1.539 109 HD21 LEU 11 HD21 LEU 11 -0.815 2.107 4.246 110 HD22 LEU 11 HD22 LEU 11 -0.714 1.668 2.542 111 HD23 LEU 11 HD23 LEU 11 -1.494 3.176 3.018 112 H ARG 12 HN ARG 12 4.459 2.710 5.149 113 HA ARG 12 HA ARG 12 3.727 5.335 6.224 114 HB2 ARG 12 HB2 ARG 12 5.485 5.204 7.906 115 HB3 ARG 12 HB1 ARG 12 4.285 3.939 8.111 116 HG2 ARG 12 HG2 ARG 12 6.892 3.481 6.695 117 HG3 ARG 12 HG1 ARG 12 6.695 3.284 8.439 118 HD2 ARG 12 HD2 ARG 12 4.808 1.720 7.945 119 HD3 ARG 12 HD1 ARG 12 5.271 1.800 6.248 120 HE ARG 12 HE ARG 12 7.474 0.908 6.941 121 HH11 ARG 12 HH11 ARG 12 4.706 0.414 9.036 122 HH12 ARG 12 HH12 ARG 12 5.327 -1.042 9.737 123 HH21 ARG 12 HH21 ARG 12 8.301 -1.014 7.837 124 HH22 ARG 12 HH22 ARG 12 7.389 -1.866 9.047 125 H LEU 13 HN LEU 13 5.340 7.056 6.059 126 HA LEU 13 HA LEU 13 6.840 7.064 3.678 127 HB2 LEU 13 HB2 LEU 13 6.249 8.817 5.955 128 HB3 LEU 13 HB1 LEU 13 7.862 9.043 5.316 129 HG LEU 13 HG LEU 13 6.444 10.645 4.312 130 HD11 LEU 13 HD11 LEU 13 6.887 8.437 2.323 131 HD12 LEU 13 HD12 LEU 13 8.062 9.665 2.798 132 HD13 LEU 13 HD13 LEU 13 6.596 10.133 1.936 133 HD21 LEU 13 HD21 LEU 13 4.426 10.061 3.012 134 HD22 LEU 13 HD22 LEU 13 4.270 9.711 4.730 135 HD23 LEU 13 HD23 LEU 13 4.574 8.402 3.587 136 H ALA 14 HN ALA 14 9.187 8.126 4.428 137 HA ALA 14 HA ALA 14 10.699 5.716 5.032 138 HB1 ALA 14 HB1 ALA 14 12.677 7.072 4.586 139 HB2 ALA 14 HB2 ALA 14 11.670 8.513 4.439 140 HB3 ALA 14 HB3 ALA 14 11.514 7.206 3.266 141 H ASP 15 HN ASP 15 9.773 8.747 6.474 142 HA ASP 15 HA ASP 15 11.276 8.556 8.820 143 HB2 ASP 15 HB2 ASP 15 10.227 10.634 8.071 144 HB3 ASP 15 HB1 ASP 15 8.626 9.927 8.287 145 H GLY 16 HN GLY 16 8.672 6.657 7.799 146 HA2 GLY 16 HA2 GLY 16 7.516 5.019 8.919 147 HA3 GLY 16 HA1 GLY 16 8.267 5.574 10.417 148 H SER 17 HN SER 17 6.586 7.749 8.336 149 HA SER 17 HA SER 17 4.150 7.667 9.953 150 HB2 SER 17 HB2 SER 17 4.431 10.101 10.375 151 HB3 SER 17 HB1 SER 17 5.740 9.136 11.061 152 HG SER 17 HG SER 17 7.050 10.312 9.953 153 H GLN 18 HN GLN 18 2.346 8.559 8.960 154 HA GLN 18 HA GLN 18 2.498 10.375 6.747 155 HB2 GLN 18 HB2 GLN 18 0.805 8.038 6.087 156 HB3 GLN 18 HB1 GLN 18 1.577 9.201 5.028 157 HG2 GLN 18 HG2 GLN 18 3.705 7.979 5.360 158 HG3 GLN 18 HG1 GLN 18 2.824 6.806 6.336 159 HE21 GLN 18 HE21 GLN 18 3.384 8.005 3.125 160 HE22 GLN 18 HE22 GLN 18 2.553 6.730 2.290 161 HA PRO 19 HA PRO 19 -1.807 10.149 7.155 162 HB2 PRO 19 HB2 PRO 19 -2.548 12.701 7.614 163 HB3 PRO 19 HB1 PRO 19 -2.042 11.650 8.942 164 HG2 PRO 19 HG2 PRO 19 -0.648 13.959 7.783 165 HG3 PRO 19 HG1 PRO 19 -0.334 13.119 9.309 166 HD2 PRO 19 HD2 PRO 19 0.973 12.764 6.691 167 HD3 PRO 19 HD1 PRO 19 1.509 12.217 8.298 168 HA PRO 20 HA PRO 20 -2.208 12.027 3.140 169 HB2 PRO 20 HB2 PRO 20 -1.244 10.270 1.462 170 HB3 PRO 20 HB1 PRO 20 -0.168 11.227 2.490 171 HG2 PRO 20 HG2 PRO 20 -0.880 8.354 2.706 172 HG3 PRO 20 HG1 PRO 20 0.621 9.175 3.173 173 HD2 PRO 20 HD2 PRO 20 -1.687 8.575 4.813 174 HD3 PRO 20 HD1 PRO 20 -0.140 9.283 5.307 175 H PHE 21 HN PHE 21 -4.434 11.827 3.242 176 HA PHE 21 HA PHE 21 -5.552 9.132 3.253 177 HB2 PHE 21 HB2 PHE 21 -6.675 10.049 4.938 178 HB3 PHE 21 HB1 PHE 21 -6.165 11.654 4.452 179 HD1 PHE 21 HD1 PHE 21 -8.686 9.011 3.896 180 HD2 PHE 21 HD2 PHE 21 -7.706 13.118 3.383 181 HE1 PHE 21 HE1 PHE 21 -11.002 9.475 3.231 182 HE2 PHE 21 HE2 PHE 21 -10.022 13.587 2.705 183 HZ PHE 21 HZ PHE 21 -11.676 11.766 2.631 184 H GLY 22 HN GLY 22 -5.880 8.402 1.319 185 HA2 GLY 22 HA2 GLY 22 -7.199 8.669 -0.772 186 HA3 GLY 22 HA1 GLY 22 -6.507 10.293 -0.832 187 H ALA 23 HN ALA 23 -4.104 8.721 0.538 188 HA ALA 23 HA ALA 23 -2.420 8.427 -1.568 189 HB1 ALA 23 HB1 ALA 23 -1.063 6.947 -0.176 190 HB2 ALA 23 HB2 ALA 23 -2.426 6.730 0.919 191 HB3 ALA 23 HB3 ALA 23 -1.682 8.317 0.746 192 H SER 24 HN SER 24 -3.562 7.600 -3.245 193 HA SER 24 HA SER 24 -4.601 5.100 -3.575 194 HB2 SER 24 HB2 SER 24 -3.579 7.262 -5.270 195 HB3 SER 24 HB1 SER 24 -3.586 5.687 -6.067 196 HG SER 24 HG SER 24 -5.806 6.888 -4.729 197 H VAL 25 HN VAL 25 -3.492 3.223 -3.021 198 HA VAL 25 HA VAL 25 -0.698 2.979 -3.877 199 HB VAL 25 HB VAL 25 -0.677 0.819 -2.650 200 HG11 VAL 25 HG11 VAL 25 0.186 2.811 -1.578 201 HG12 VAL 25 HG12 VAL 25 -0.634 1.802 -0.389 202 HG13 VAL 25 HG13 VAL 25 -1.429 3.244 -1.022 203 HG21 VAL 25 HG21 VAL 25 -2.432 0.331 -1.026 204 HG22 VAL 25 HG22 VAL 25 -3.058 0.314 -2.675 205 HG23 VAL 25 HG23 VAL 25 -3.371 1.697 -1.628 206 H THR 26 HN THR 26 -0.319 2.206 -5.829 207 HA THR 26 HA THR 26 -1.934 -0.025 -6.853 208 HB THR 26 HB THR 26 -3.230 1.376 -8.106 209 HG1 THR 26 HG1 THR 26 -0.862 1.452 -9.677 210 HG21 THR 26 HG21 THR 26 -2.592 3.610 -8.887 211 HG22 THR 26 HG22 THR 26 -0.976 3.380 -8.219 212 HG23 THR 26 HG23 THR 26 -2.372 3.458 -7.144 213 H SER 27 HN SER 27 -0.651 -1.343 -8.268 214 HA SER 27 HA SER 27 2.146 -0.869 -7.667 215 HB2 SER 27 HB2 SER 27 2.594 -3.079 -8.501 216 HB3 SER 27 HB1 SER 27 1.159 -3.174 -7.474 217 HG SER 27 HG SER 27 0.782 -4.321 -9.352 218 H GLU 28 HN GLU 28 3.731 -1.204 -9.611 219 HA GLU 28 HA GLU 28 3.405 0.621 -11.543 220 HB2 GLU 28 HB2 GLU 28 4.919 -1.953 -12.016 221 HB3 GLU 28 HB1 GLU 28 5.193 -0.411 -12.811 222 HG2 GLU 28 HG2 GLU 28 5.698 -1.082 -9.926 223 HG3 GLU 28 HG1 GLU 28 6.894 -0.755 -11.179 224 H LYS 29 HN LYS 29 1.819 -2.383 -11.481 225 HA LYS 29 HA LYS 29 1.282 -2.429 -14.351 226 HB2 LYS 29 HB2 LYS 29 0.483 -4.314 -12.128 227 HB3 LYS 29 HB1 LYS 29 0.001 -4.511 -13.806 228 HG2 LYS 29 HG2 LYS 29 2.356 -4.697 -14.458 229 HG3 LYS 29 HG1 LYS 29 2.830 -4.517 -12.769 230 HD2 LYS 29 HD2 LYS 29 1.010 -6.709 -13.747 231 HD3 LYS 29 HD1 LYS 29 2.762 -6.885 -13.645 232 HE2 LYS 29 HE2 LYS 29 0.963 -6.186 -11.326 233 HE3 LYS 29 HE1 LYS 29 1.558 -7.807 -11.685 234 HZ1 LYS 29 HZ1 LYS 29 3.826 -6.983 -11.418 235 HZ2 LYS 29 HZ2 LYS 29 2.919 -6.753 -10.005 236 HZ3 LYS 29 HZ3 LYS 29 3.238 -5.441 -11.031 237 H GLY 30 HN GLY 30 -0.239 -1.503 -11.333 238 HA2 GLY 30 HA2 GLY 30 -1.840 0.329 -11.462 239 HA3 GLY 30 HA1 GLY 30 -2.480 -0.462 -12.890 240 H ARG 31 HN ARG 31 -1.350 -2.754 -10.769 241 HA ARG 31 HA ARG 31 -3.707 -3.562 -9.800 242 HB2 ARG 31 HB2 ARG 31 -0.919 -3.954 -8.951 243 HB3 ARG 31 HB1 ARG 31 -2.112 -4.210 -7.680 244 HG2 ARG 31 HG2 ARG 31 -3.243 -5.859 -9.127 245 HG3 ARG 31 HG1 ARG 31 -1.959 -5.642 -10.324 246 HD2 ARG 31 HD2 ARG 31 -0.301 -6.414 -8.764 247 HD3 ARG 31 HD1 ARG 31 -1.491 -6.473 -7.463 248 HE ARG 31 HE ARG 31 -2.583 -8.194 -9.122 249 HH11 ARG 31 HH11 ARG 31 0.801 -7.782 -8.306 250 HH12 ARG 31 HH12 ARG 31 1.193 -9.463 -8.522 251 HH21 ARG 31 HH21 ARG 31 -2.081 -10.415 -9.408 252 HH22 ARG 31 HH22 ARG 31 -0.444 -10.965 -9.150 253 H GLU 32 HN GLU 32 -4.903 -1.659 -9.272 254 HA GLU 32 HA GLU 32 -4.009 -0.005 -7.206 255 HB2 GLU 32 HB2 GLU 32 -6.852 -0.266 -8.189 256 HB3 GLU 32 HB1 GLU 32 -6.110 1.135 -7.424 257 HG2 GLU 32 HG2 GLU 32 -4.486 1.125 -9.417 258 HG3 GLU 32 HG1 GLU 32 -5.651 0.039 -10.170 259 H LEU 33 HN LEU 33 -3.592 -0.986 -5.357 260 HA LEU 33 HA LEU 33 -5.134 -3.182 -4.338 261 HB2 LEU 33 HB2 LEU 33 -2.728 -1.654 -3.441 262 HB3 LEU 33 HB1 LEU 33 -3.604 -2.611 -2.264 263 HG LEU 33 HG LEU 33 -3.227 -4.628 -3.637 264 HD11 LEU 33 HD11 LEU 33 -3.040 -3.569 -5.824 265 HD12 LEU 33 HD12 LEU 33 -1.640 -4.582 -5.472 266 HD13 LEU 33 HD13 LEU 33 -1.515 -2.828 -5.336 267 HD21 LEU 33 HD21 LEU 33 -0.715 -3.111 -2.960 268 HD22 LEU 33 HD22 LEU 33 -0.852 -4.858 -3.171 269 HD23 LEU 33 HD23 LEU 33 -1.687 -4.064 -1.837 270 H GLY 34 HN GLY 34 -4.734 0.282 -3.582 271 HA2 GLY 34 HA2 GLY 34 -7.250 0.489 -2.466 272 HA3 GLY 34 HA1 GLY 34 -6.201 0.112 -1.104 273 H MET 35 HN MET 35 -6.772 2.110 -0.189 274 HA MET 35 HA MET 35 -5.288 4.406 -1.110 275 HB2 MET 35 HB2 MET 35 -8.276 4.690 -0.749 276 HB3 MET 35 HB1 MET 35 -7.138 5.920 -1.300 277 HG2 MET 35 HG2 MET 35 -6.923 4.981 -3.381 278 HG3 MET 35 HG1 MET 35 -7.419 3.381 -2.797 279 HE1 MET 35 HE1 MET 35 -10.220 4.230 -5.420 280 HE2 MET 35 HE2 MET 35 -9.026 3.044 -4.893 281 HE3 MET 35 HE3 MET 35 -8.499 4.603 -5.529 282 H VAL 36 HN VAL 36 -4.785 5.737 0.624 283 HA VAL 36 HA VAL 36 -5.209 4.593 3.201 284 HB VAL 36 HB VAL 36 -4.016 7.237 2.388 285 HG11 VAL 36 HG11 VAL 36 -3.327 7.529 4.709 286 HG12 VAL 36 HG12 VAL 36 -4.209 6.071 5.164 287 HG13 VAL 36 HG13 VAL 36 -5.086 7.485 4.579 288 HG21 VAL 36 HG21 VAL 36 -2.782 4.796 3.644 289 HG22 VAL 36 HG22 VAL 36 -1.946 6.242 3.074 290 HG23 VAL 36 HG23 VAL 36 -2.743 5.170 1.921 291 H ALA 37 HN ALA 37 -6.673 4.970 4.705 292 HA ALA 37 HA ALA 37 -8.375 7.337 4.417 293 HB1 ALA 37 HB1 ALA 37 -9.743 5.401 3.831 294 HB2 ALA 37 HB2 ALA 37 -10.277 6.122 5.348 295 HB3 ALA 37 HB3 ALA 37 -9.329 4.636 5.366 296 H ASP 38 HN ASP 38 -7.061 8.441 5.800 297 HA ASP 38 HA ASP 38 -6.573 9.386 7.809 298 HB2 ASP 38 HB2 ASP 38 -8.031 7.035 9.028 299 HB3 ASP 38 HB1 ASP 38 -7.320 8.353 9.954 300 H GLU 39 HN GLU 39 -4.622 9.408 8.710 301 HA GLU 39 HA GLU 39 -2.569 8.794 9.435 302 HB2 GLU 39 HB2 GLU 39 -3.819 6.072 9.899 303 HB3 GLU 39 HB1 GLU 39 -2.249 6.607 10.490 304 HG2 GLU 39 HG2 GLU 39 -3.365 8.340 11.826 305 HG3 GLU 39 HG1 GLU 39 -4.925 7.734 11.268 306 H GLY 40 HN GLY 40 -1.384 6.112 9.014 307 HA2 GLY 40 HA2 GLY 40 -1.220 6.198 6.089 308 HA3 GLY 40 HA1 GLY 40 0.008 5.556 7.182 309 H LEU 41 HN LEU 41 -3.460 4.939 6.609 310 HA LEU 41 HA LEU 41 -2.768 2.096 6.258 311 HB2 LEU 41 HB2 LEU 41 -3.877 2.970 8.471 312 HB3 LEU 41 HB1 LEU 41 -5.328 3.019 7.494 313 HG LEU 41 HG LEU 41 -3.690 0.518 7.900 314 HD11 LEU 41 HD11 LEU 41 -4.552 1.284 10.040 315 HD12 LEU 41 HD12 LEU 41 -5.412 -0.158 9.498 316 HD13 LEU 41 HD13 LEU 41 -6.170 1.427 9.352 317 HD21 LEU 41 HD21 LEU 41 -6.495 0.941 6.876 318 HD22 LEU 41 HD22 LEU 41 -5.707 -0.618 7.122 319 HD23 LEU 41 HD23 LEU 41 -5.090 0.499 5.904 320 H ALA 42 HN ALA 42 -3.374 1.364 4.331 321 HA ALA 42 HA ALA 42 -5.688 2.620 3.036 322 HB1 ALA 42 HB1 ALA 42 -3.590 3.058 1.707 323 HB2 ALA 42 HB2 ALA 42 -4.861 2.198 0.823 324 HB3 ALA 42 HB3 ALA 42 -3.461 1.315 1.465 325 H TRP 43 HN TRP 43 -7.063 1.111 1.964 326 HA TRP 43 HA TRP 43 -7.012 -1.500 3.118 327 HB2 TRP 43 HB2 TRP 43 -8.932 0.161 1.537 328 HB3 TRP 43 HB1 TRP 43 -9.222 -1.590 1.720 329 HD1 TRP 43 HD1 TRP 43 -8.514 1.516 3.892 330 HE1 TRP 43 HE1 TRP 43 -9.237 0.964 6.295 331 HE3 TRP 43 HE3 TRP 43 -10.025 -3.299 3.157 332 HZ2 TRP 43 HZ2 TRP 43 -10.216 -1.230 7.613 333 HZ3 TRP 43 HZ3 TRP 43 -10.883 -4.566 5.090 334 HH2 TRP 43 HH2 TRP 43 -11.003 -3.532 7.301 335 H LEU 44 HN LEU 44 -5.516 -3.037 1.941 336 HA LEU 44 HA LEU 44 -5.265 -2.318 -0.900 337 HB2 LEU 44 HB2 LEU 44 -3.316 -3.732 0.924 338 HB3 LEU 44 HB1 LEU 44 -3.145 -3.695 -0.823 339 HG LEU 44 HG LEU 44 -3.064 -1.161 -0.638 340 HD11 LEU 44 HD11 LEU 44 -2.687 -1.824 2.273 341 HD12 LEU 44 HD12 LEU 44 -4.014 -0.900 1.568 342 HD13 LEU 44 HD13 LEU 44 -2.372 -0.256 1.531 343 HD21 LEU 44 HD21 LEU 44 -1.074 -2.495 -1.034 344 HD22 LEU 44 HD22 LEU 44 -0.890 -2.761 0.700 345 HD23 LEU 44 HD23 LEU 44 -0.716 -1.137 0.034 346 H SER 45 HN SER 45 -7.314 -3.566 -1.126 347 HA SER 45 HA SER 45 -7.085 -6.323 -1.156 348 HB2 SER 45 HB2 SER 45 -9.128 -6.093 -2.712 349 HB3 SER 45 HB1 SER 45 -9.268 -5.432 -1.078 350 HG SER 45 HG SER 45 -8.503 -3.901 -3.346 351 H GLY 46 HN GLY 46 -5.022 -6.504 -2.141 352 HA2 GLY 46 HA2 GLY 46 -5.128 -7.829 -4.572 353 HA3 GLY 46 HA1 GLY 46 -4.885 -6.133 -4.991 354 H VAL 47 HN VAL 47 -3.570 -7.822 -2.179 355 HA VAL 47 HA VAL 47 -0.990 -6.692 -2.955 356 HB VAL 47 HB VAL 47 -1.593 -6.037 -0.720 357 HG11 VAL 47 HG11 VAL 47 -1.997 -7.645 1.073 358 HG12 VAL 47 HG12 VAL 47 -1.882 -8.971 -0.085 359 HG13 VAL 47 HG13 VAL 47 -3.196 -7.802 -0.212 360 HG21 VAL 47 HG21 VAL 47 0.754 -6.522 -1.128 361 HG22 VAL 47 HG22 VAL 47 0.503 -8.204 -0.665 362 HG23 VAL 47 HG23 VAL 47 0.315 -6.923 0.532 363 H THR 48 HN THR 48 0.351 -7.990 -3.919 364 HA THR 48 HA THR 48 0.283 -10.843 -3.258 365 HB THR 48 HB THR 48 1.103 -9.761 -5.959 366 HG1 THR 48 HG1 THR 48 -1.226 -9.649 -5.459 367 HG21 THR 48 HG21 THR 48 1.025 -12.137 -6.624 368 HG22 THR 48 HG22 THR 48 0.653 -12.573 -4.955 369 HG23 THR 48 HG23 THR 48 2.208 -11.843 -5.350 370 HA PRO 49 HA PRO 49 4.195 -9.765 -1.518 371 HB2 PRO 49 HB2 PRO 49 5.235 -12.352 -1.672 372 HB3 PRO 49 HB1 PRO 49 4.295 -11.693 -0.331 373 HG2 PRO 49 HG2 PRO 49 3.414 -13.405 -2.611 374 HG3 PRO 49 HG1 PRO 49 2.882 -13.423 -0.916 375 HD2 PRO 49 HD2 PRO 49 1.366 -12.345 -2.842 376 HD3 PRO 49 HD1 PRO 49 1.452 -11.619 -1.219 377 H GLY 50 HN GLY 50 5.903 -8.820 -2.563 378 HA2 GLY 50 HA2 GLY 50 8.008 -9.206 -3.705 379 HA3 GLY 50 HA1 GLY 50 7.212 -10.463 -4.649 380 H GLU 51 HN GLU 51 6.129 -7.156 -3.940 381 HA GLU 51 HA GLU 51 6.079 -6.688 -6.842 382 HB2 GLU 51 HB2 GLU 51 4.001 -5.862 -4.823 383 HB3 GLU 51 HB1 GLU 51 4.125 -5.154 -6.424 384 HG2 GLU 51 HG2 GLU 51 3.983 -8.068 -6.262 385 HG3 GLU 51 HG1 GLU 51 2.546 -7.164 -5.823 386 H THR 52 HN THR 52 5.534 -4.286 -7.092 387 HA THR 52 HA THR 52 6.709 -2.678 -5.058 388 HB THR 52 HB THR 52 8.627 -2.942 -6.609 389 HG1 THR 52 HG1 THR 52 7.848 -0.282 -7.022 390 HG21 THR 52 HG21 THR 52 8.534 -1.885 -8.836 391 HG22 THR 52 HG22 THR 52 6.806 -1.616 -8.619 392 HG23 THR 52 HG23 THR 52 7.438 -3.261 -8.701 393 H LEU 53 HN LEU 53 5.735 -0.657 -4.939 394 HA LEU 53 HA LEU 53 3.241 -0.557 -6.458 395 HB2 LEU 53 HB2 LEU 53 3.667 -1.009 -3.784 396 HB3 LEU 53 HB1 LEU 53 3.344 0.709 -3.861 397 HG LEU 53 HG LEU 53 1.245 0.312 -4.998 398 HD11 LEU 53 HD11 LEU 53 1.853 -2.603 -4.572 399 HD12 LEU 53 HD12 LEU 53 1.804 -1.769 -6.127 400 HD13 LEU 53 HD13 LEU 53 0.331 -1.941 -5.173 401 HD21 LEU 53 HD21 LEU 53 0.035 -0.723 -3.158 402 HD22 LEU 53 HD22 LEU 53 1.196 0.492 -2.626 403 HD23 LEU 53 HD23 LEU 53 1.572 -1.222 -2.459 404 H SER 54 HN SER 54 2.303 1.486 -6.897 405 HA SER 54 HA SER 54 3.862 3.788 -6.099 406 HB2 SER 54 HB2 SER 54 2.420 3.257 -8.672 407 HB3 SER 54 HB1 SER 54 2.919 4.882 -8.195 408 HG SER 54 HG SER 54 4.522 2.635 -8.827 409 H VAL 55 HN VAL 55 2.999 5.364 -5.009 410 HA VAL 55 HA VAL 55 0.151 5.008 -4.421 411 HB VAL 55 HB VAL 55 2.265 6.143 -2.606 412 HG11 VAL 55 HG11 VAL 55 -0.463 5.004 -2.027 413 HG12 VAL 55 HG12 VAL 55 -0.037 6.715 -2.032 414 HG13 VAL 55 HG13 VAL 55 0.679 5.631 -0.839 415 HG21 VAL 55 HG21 VAL 55 2.243 3.875 -1.546 416 HG22 VAL 55 HG22 VAL 55 2.975 3.933 -3.152 417 HG23 VAL 55 HG23 VAL 55 1.342 3.296 -2.949 418 H ASN 56 HN ASN 56 -1.020 6.504 -5.336 419 HA ASN 56 HA ASN 56 -0.102 9.202 -5.810 420 HB2 ASN 56 HB2 ASN 56 -2.448 7.575 -6.583 421 HB3 ASN 56 HB1 ASN 56 -2.794 9.282 -6.307 422 HD21 ASN 56 HD21 ASN 56 -2.816 7.599 -8.731 423 HD22 ASN 56 HD22 ASN 56 -1.781 8.425 -9.869 424 H TRP 57 HN TRP 57 0.256 10.074 -3.891 425 HA TRP 57 HA TRP 57 -1.777 10.095 -1.852 426 HB2 TRP 57 HB2 TRP 57 0.177 9.660 -0.750 427 HB3 TRP 57 HB1 TRP 57 1.142 10.515 -1.939 428 HD1 TRP 57 HD1 TRP 57 -1.515 12.669 -0.438 429 HE1 TRP 57 HE1 TRP 57 -0.447 14.338 1.167 430 HE3 TRP 57 HE3 TRP 57 3.082 10.527 -0.014 431 HZ2 TRP 57 HZ2 TRP 57 1.936 14.685 2.374 432 HZ3 TRP 57 HZ3 TRP 57 4.716 11.649 1.470 433 HH2 TRP 57 HH2 TRP 57 4.153 13.682 2.660 434 H ASP 58 HN ASP 58 -2.882 11.947 -1.280 435 HA ASP 58 HA ASP 58 -3.871 13.938 -2.424 436 HB2 ASP 58 HB2 ASP 58 -2.060 14.339 -0.060 437 HB3 ASP 58 HB1 ASP 58 -3.082 15.629 -0.685 438 H GLY 59 HN GLY 59 -0.499 14.916 -1.438 439 HA2 GLY 59 HA2 GLY 59 -0.369 16.922 -3.275 440 HA3 GLY 59 HA1 GLY 59 1.060 16.071 -2.701 441 H LYS 60 HN LYS 60 0.285 13.534 -4.136 442 HA LYS 60 HA LYS 60 0.454 13.809 -6.841 443 HB2 LYS 60 HB2 LYS 60 2.798 13.941 -7.342 444 HB3 LYS 60 HB1 LYS 60 2.428 15.298 -6.278 445 HG2 LYS 60 HG2 LYS 60 3.011 13.565 -4.392 446 HG3 LYS 60 HG1 LYS 60 3.908 12.794 -5.723 447 HD2 LYS 60 HD2 LYS 60 5.388 14.291 -4.489 448 HD3 LYS 60 HD1 LYS 60 5.172 14.843 -6.148 449 HE2 LYS 60 HE2 LYS 60 3.587 16.523 -5.408 450 HE3 LYS 60 HE1 LYS 60 3.698 15.927 -3.752 451 HZ1 LYS 60 HZ1 LYS 60 5.983 17.044 -5.288 452 HZ2 LYS 60 HZ2 LYS 60 5.985 16.592 -3.654 453 HZ3 LYS 60 HZ3 LYS 60 5.062 17.920 -4.165 454 H ILE 61 HN ILE 61 2.696 11.957 -7.246 455 HA ILE 61 HA ILE 61 1.538 9.686 -5.880 456 HB ILE 61 HB ILE 61 1.421 9.602 -8.435 457 HG12 ILE 61 HG12 ILE 61 2.914 7.345 -7.102 458 HG13 ILE 61 HG11 ILE 61 1.182 7.626 -6.893 459 HG21 ILE 61 HG21 ILE 61 4.360 9.037 -8.183 460 HG22 ILE 61 HG22 ILE 61 3.641 10.465 -8.933 461 HG23 ILE 61 HG23 ILE 61 3.384 8.872 -9.647 462 HD11 ILE 61 HD11 ILE 61 1.438 5.933 -8.531 463 HD12 ILE 61 HD12 ILE 61 2.638 6.873 -9.417 464 HD13 ILE 61 HD13 ILE 61 0.957 7.402 -9.380 465 H GLN 62 HN GLN 62 2.847 9.562 -4.057 466 HA GLN 62 HA GLN 62 5.315 11.103 -4.441 467 HB2 GLN 62 HB2 GLN 62 4.174 10.871 -1.726 468 HB3 GLN 62 HB1 GLN 62 5.092 12.166 -2.489 469 HG2 GLN 62 HG2 GLN 62 2.888 12.429 -3.879 470 HG3 GLN 62 HG1 GLN 62 2.192 11.684 -2.428 471 HE21 GLN 62 HE21 GLN 62 1.103 13.630 -2.014 472 HE22 GLN 62 HE22 GLN 62 1.925 14.998 -1.309 473 H CYS 63 HN CYS 63 3.856 8.372 -2.779 474 HA CYS 63 HA CYS 63 6.570 7.582 -2.089 475 HB2 CYS 63 HB2 CYS 63 5.853 6.439 -0.104 476 HB3 CYS 63 HB1 CYS 63 5.301 8.110 0.006 477 H GLN 64 HN GLN 64 6.726 5.176 -2.082 478 HA GLN 64 HA GLN 64 4.813 3.981 -3.906 479 HB2 GLN 64 HB2 GLN 64 7.796 3.971 -4.369 480 HB3 GLN 64 HB1 GLN 64 6.612 3.008 -5.255 481 HG2 GLN 64 HG2 GLN 64 5.512 5.003 -6.011 482 HG3 GLN 64 HG1 GLN 64 6.665 5.974 -5.092 483 HE21 GLN 64 HE21 GLN 64 6.102 5.867 -8.006 484 HE22 GLN 64 HE22 GLN 64 7.627 5.556 -8.753 485 H VAL 65 HN VAL 65 5.069 1.509 -3.736 486 HA VAL 65 HA VAL 65 5.818 1.345 -0.993 487 HB VAL 65 HB VAL 65 3.251 0.528 -2.089 488 HG11 VAL 65 HG11 VAL 65 4.626 -1.403 -0.221 489 HG12 VAL 65 HG12 VAL 65 4.268 -1.715 -1.919 490 HG13 VAL 65 HG13 VAL 65 2.951 -1.484 -0.769 491 HG21 VAL 65 HG21 VAL 65 2.605 0.727 0.263 492 HG22 VAL 65 HG22 VAL 65 3.514 2.131 -0.299 493 HG23 VAL 65 HG23 VAL 65 4.304 0.909 0.698 494 H ASN 66 HN ASN 66 6.995 -0.531 -0.334 495 HA ASN 66 HA ASN 66 7.714 -2.273 -2.560 496 HB2 ASN 66 HB2 ASN 66 9.085 -1.792 0.095 497 HB3 ASN 66 HB1 ASN 66 9.638 -2.963 -1.105 498 HD21 ASN 66 HD21 ASN 66 8.843 -1.160 -3.326 499 HD22 ASN 66 HD22 ASN 66 10.076 0.047 -3.386 500 H VAL 67 HN VAL 67 6.937 -4.311 -2.667 501 HA VAL 67 HA VAL 67 5.483 -5.301 -0.315 502 HB VAL 67 HB VAL 67 4.993 -6.047 -3.182 503 HG11 VAL 67 HG11 VAL 67 3.062 -7.267 -2.318 504 HG12 VAL 67 HG12 VAL 67 3.511 -6.824 -0.671 505 HG13 VAL 67 HG13 VAL 67 4.557 -7.883 -1.619 506 HG21 VAL 67 HG21 VAL 67 3.330 -4.375 -1.305 507 HG22 VAL 67 HG22 VAL 67 2.870 -4.871 -2.935 508 HG23 VAL 67 HG23 VAL 67 4.235 -3.781 -2.697 509 HA PRO 68 HA PRO 68 9.041 -8.002 -0.170 510 HB2 PRO 68 HB2 PRO 68 8.219 -9.264 2.124 511 HB3 PRO 68 HB1 PRO 68 9.105 -7.736 2.092 512 HG2 PRO 68 HG2 PRO 68 6.168 -8.220 2.396 513 HG3 PRO 68 HG1 PRO 68 7.209 -7.066 3.251 514 HD2 PRO 68 HD2 PRO 68 5.609 -6.299 1.239 515 HD3 PRO 68 HD1 PRO 68 7.207 -5.568 1.490 516 H GLU 69 HN GLU 69 9.388 -10.273 -0.260 517 HA GLU 69 HA GLU 69 7.474 -11.463 -2.039 518 HB2 GLU 69 HB2 GLU 69 10.082 -11.473 -2.081 519 HB3 GLU 69 HB1 GLU 69 9.927 -12.828 -0.976 520 HG2 GLU 69 HG2 GLU 69 10.188 -13.746 -3.116 521 HG3 GLU 69 HG1 GLU 69 8.482 -13.930 -2.714 522 H THR 70 HN THR 70 7.478 -11.390 1.223 523 HA THR 70 HA THR 70 6.441 -14.133 1.452 524 HB THR 70 HB THR 70 8.627 -13.861 2.504 525 HG1 THR 70 HG1 THR 70 7.188 -13.949 4.839 526 HG21 THR 70 HG21 THR 70 8.550 -11.467 2.950 527 HG22 THR 70 HG22 THR 70 8.926 -12.358 4.426 528 HG23 THR 70 HG23 THR 70 7.302 -11.721 4.170 529 H ALA 71 HN ALA 71 5.162 -11.141 1.386 530 HA ALA 71 HA ALA 71 3.815 -11.324 3.993 531 HB1 ALA 71 HB1 ALA 71 3.327 -8.952 3.822 532 HB2 ALA 71 HB2 ALA 71 4.128 -8.886 2.252 533 HB3 ALA 71 HB3 ALA 71 5.063 -9.239 3.704 534 H ILE 72 HN ILE 72 1.623 -11.024 4.126 535 HA ILE 72 HA ILE 72 -0.015 -10.842 1.760 536 HB ILE 72 HB ILE 72 0.746 -13.243 2.012 537 HG12 ILE 72 HG12 ILE 72 -1.528 -14.194 1.645 538 HG13 ILE 72 HG11 ILE 72 -2.226 -12.677 2.200 539 HG21 ILE 72 HG21 ILE 72 0.748 -13.432 4.400 540 HG22 ILE 72 HG22 ILE 72 -0.396 -14.597 3.732 541 HG23 ILE 72 HG23 ILE 72 -0.984 -13.106 4.468 542 HD11 ILE 72 HD11 ILE 72 -1.179 -11.514 0.325 543 HD12 ILE 72 HD12 ILE 72 -2.236 -12.818 -0.219 544 HD13 ILE 72 HD13 ILE 72 -0.486 -13.039 -0.229 545 H SER 73 HN SER 73 -2.502 -11.042 2.613 546 HA SER 73 HA SER 73 -2.453 -9.584 5.144 547 HB2 SER 73 HB2 SER 73 -4.093 -8.713 2.770 548 HB3 SER 73 HB1 SER 73 -4.053 -7.946 4.358 549 HG SER 73 HG SER 73 -1.562 -8.169 3.508 550 H ASP 74 HN ASP 74 -5.442 -9.905 3.264 551 HA ASP 74 HA ASP 74 -7.481 -10.630 3.960 552 HB2 ASP 74 HB2 ASP 74 -6.387 -12.866 3.973 553 HB3 ASP 74 HB1 ASP 74 -5.939 -12.613 5.654 554 H GLN 75 HN GLN 75 -5.622 -8.811 5.540 555 HA GLN 75 HA GLN 75 -7.244 -8.088 7.694 556 HB2 GLN 75 HB2 GLN 75 -5.638 -8.722 9.536 557 HB3 GLN 75 HB1 GLN 75 -6.525 -10.062 8.827 558 HG2 GLN 75 HG2 GLN 75 -4.527 -10.530 7.404 559 HG3 GLN 75 HG1 GLN 75 -3.658 -9.305 8.325 560 HE21 GLN 75 HE21 GLN 75 -6.014 -11.498 9.720 561 HE22 GLN 75 HE22 GLN 75 -4.883 -12.394 10.683 562 H GLN 76 HN GLN 76 -4.999 -7.191 9.324 563 HA GLN 76 HA GLN 76 -4.022 -4.972 7.803 564 HB2 GLN 76 HB2 GLN 76 -3.399 -5.995 10.569 565 HB3 GLN 76 HB1 GLN 76 -2.532 -4.640 9.865 566 HG2 GLN 76 HG2 GLN 76 -4.722 -3.486 9.592 567 HG3 GLN 76 HG1 GLN 76 -5.461 -4.802 10.502 568 HE21 GLN 76 HE21 GLN 76 -3.125 -5.119 12.219 569 HE22 GLN 76 HE22 GLN 76 -3.148 -3.771 13.314 570 H LEU 77 HN LEU 77 -2.061 -4.639 6.917 571 HA LEU 77 HA LEU 77 0.047 -6.590 7.392 572 HB2 LEU 77 HB2 LEU 77 -0.995 -7.130 5.163 573 HB3 LEU 77 HB1 LEU 77 -0.599 -5.508 4.633 574 HG LEU 77 HG LEU 77 1.798 -6.010 4.893 575 HD11 LEU 77 HD11 LEU 77 1.654 -7.664 6.668 576 HD12 LEU 77 HD12 LEU 77 2.517 -8.319 5.277 577 HD13 LEU 77 HD13 LEU 77 0.843 -8.788 5.576 578 HD21 LEU 77 HD21 LEU 77 1.983 -7.542 2.999 579 HD22 LEU 77 HD22 LEU 77 0.711 -6.349 2.739 580 HD23 LEU 77 HD23 LEU 77 0.291 -7.998 3.199 581 H LEU 78 HN LEU 78 2.069 -5.197 6.038 582 HA LEU 78 HA LEU 78 1.585 -2.482 6.615 583 HB2 LEU 78 HB2 LEU 78 3.643 -2.163 8.054 584 HB3 LEU 78 HB1 LEU 78 2.259 -2.920 8.824 585 HG LEU 78 HG LEU 78 3.546 -5.139 8.137 586 HD11 LEU 78 HD11 LEU 78 5.970 -4.849 8.425 587 HD12 LEU 78 HD12 LEU 78 5.749 -3.099 8.397 588 HD13 LEU 78 HD13 LEU 78 5.366 -4.059 6.969 589 HD21 LEU 78 HD21 LEU 78 2.891 -4.460 10.397 590 HD22 LEU 78 HD22 LEU 78 4.320 -3.431 10.495 591 HD23 LEU 78 HD23 LEU 78 4.500 -5.181 10.366 592 H LEU 79 HN LEU 79 3.041 -1.086 5.485 593 HA LEU 79 HA LEU 79 4.927 -2.461 3.740 594 HB2 LEU 79 HB2 LEU 79 2.504 -0.994 2.783 595 HB3 LEU 79 HB1 LEU 79 3.958 -0.986 1.813 596 HG LEU 79 HG LEU 79 2.641 -2.693 0.913 597 HD11 LEU 79 HD11 LEU 79 4.956 -3.359 1.230 598 HD12 LEU 79 HD12 LEU 79 3.871 -4.745 1.343 599 HD13 LEU 79 HD13 LEU 79 4.554 -4.039 2.808 600 HD21 LEU 79 HD21 LEU 79 1.594 -4.474 2.220 601 HD22 LEU 79 HD22 LEU 79 0.990 -2.881 2.675 602 HD23 LEU 79 HD23 LEU 79 2.157 -3.710 3.707 603 HA PRO 80 HA PRO 80 7.110 1.426 4.179 604 HB2 PRO 80 HB2 PRO 80 9.226 0.809 2.635 605 HB3 PRO 80 HB1 PRO 80 9.014 0.120 4.249 606 HG2 PRO 80 HG2 PRO 80 8.537 -1.110 1.579 607 HG3 PRO 80 HG1 PRO 80 9.145 -1.856 3.071 608 HD2 PRO 80 HD2 PRO 80 6.533 -2.026 2.118 609 HD3 PRO 80 HD1 PRO 80 7.049 -2.364 3.779 610 H CYS 81 HN CYS 81 6.658 3.229 3.117 611 HA CYS 81 HA CYS 81 6.061 3.102 0.216 612 HB2 CYS 81 HB2 CYS 81 4.395 3.956 2.241 613 HB3 CYS 81 HB1 CYS 81 5.159 5.468 1.749 614 H THR 82 HN THR 82 8.151 3.558 -0.518 615 HA THR 82 HA THR 82 9.903 5.387 0.875 616 HB THR 82 HB THR 82 10.873 3.431 -0.223 617 HG1 THR 82 HG1 THR 82 11.627 5.819 -1.597 618 HG21 THR 82 HG21 THR 82 9.297 3.153 -2.055 619 HG22 THR 82 HG22 THR 82 10.945 3.258 -2.674 620 HG23 THR 82 HG23 THR 82 9.866 4.649 -2.793 621 HA PRO 83 HA PRO 83 8.659 9.125 -1.185 622 HB2 PRO 83 HB2 PRO 83 11.131 10.347 -1.305 623 HB3 PRO 83 HB1 PRO 83 10.070 10.363 0.106 624 HG2 PRO 83 HG2 PRO 83 12.430 8.623 -0.470 625 HG3 PRO 83 HG1 PRO 83 11.938 9.380 1.057 626 HD2 PRO 83 HD2 PRO 83 11.494 6.777 0.575 627 HD3 PRO 83 HD1 PRO 83 10.331 7.762 1.487 628 H GLN 84 HN GLN 84 8.596 9.920 -3.264 629 HA GLN 84 HA GLN 84 9.507 8.377 -5.319 630 HB2 GLN 84 HB2 GLN 84 8.824 10.187 -6.845 631 HB3 GLN 84 HB1 GLN 84 7.625 9.881 -5.593 632 HG2 GLN 84 HG2 GLN 84 8.304 11.848 -4.392 633 HG3 GLN 84 HG1 GLN 84 9.644 12.114 -5.503 634 HE21 GLN 84 HE21 GLN 84 6.457 11.079 -6.514 635 HE22 GLN 84 HE22 GLN 84 6.038 12.549 -7.344 636 H LYS 85 HN LYS 85 11.152 11.127 -3.867 637 HA LYS 85 HA LYS 85 13.392 10.574 -5.634 638 HB2 LYS 85 HB2 LYS 85 11.985 12.678 -6.355 639 HB3 LYS 85 HB1 LYS 85 12.843 13.447 -5.028 640 HG2 LYS 85 HG2 LYS 85 14.176 13.946 -6.846 641 HG3 LYS 85 HG1 LYS 85 14.968 12.519 -6.179 642 HD2 LYS 85 HD2 LYS 85 12.981 12.473 -8.452 643 HD3 LYS 85 HD1 LYS 85 14.732 12.469 -8.658 644 HE2 LYS 85 HE2 LYS 85 14.928 10.337 -7.618 645 HE3 LYS 85 HE1 LYS 85 13.255 10.381 -7.067 646 HZ1 LYS 85 HZ1 LYS 85 12.638 10.419 -9.494 647 HZ2 LYS 85 HZ2 LYS 85 13.287 8.966 -8.916 648 HZ3 LYS 85 HZ3 LYS 85 14.253 10.014 -9.836
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