NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596425 | 2n8g | 25849 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 14.064 -15.024 10.005 2 HA2 GLY 1 HA1 GLY 1 15.299 -16.580 8.666 3 HA3 GLY 1 HA2 GLY 1 13.813 -16.928 7.753 4 H ALA 2 HN ALA 2 16.393 -16.055 6.769 5 HA ALA 2 HA ALA 2 17.528 -14.538 5.586 6 HB1 ALA 2 HB1 ALA 2 16.346 -13.346 3.793 7 HB2 ALA 2 HB2 ALA 2 15.872 -15.053 3.879 8 HB3 ALA 2 HB3 ALA 2 14.790 -13.780 4.512 9 HA PRO 3 HA PRO 3 16.565 -11.159 8.601 10 HB2 PRO 3 HB2 PRO 3 18.725 -11.264 10.208 11 HB3 PRO 3 HB3 PRO 3 17.424 -12.465 10.317 12 HG2 PRO 3 HG2 PRO 3 20.056 -12.756 8.815 13 HG3 PRO 3 HG3 PRO 3 19.333 -13.884 9.989 14 HD2 PRO 3 HD2 PRO 3 18.994 -14.169 7.289 15 HD3 PRO 3 HD3 PRO 3 17.709 -14.603 8.455 16 H GLY 4 HN GLY 4 16.667 -9.608 7.038 17 HA2 GLY 4 HA1 GLY 4 19.177 -8.238 6.416 18 HA3 GLY 4 HA2 GLY 4 18.434 -9.104 5.061 19 H GLY 5 HN GLY 5 16.137 -8.628 4.594 20 HA2 GLY 5 HA1 GLY 5 14.199 -7.277 4.649 21 HA3 GLY 5 HA2 GLY 5 15.070 -6.014 5.536 22 H LYS 6 HN LYS 6 13.940 -4.784 3.679 23 HA LYS 6 HA LYS 6 13.959 -3.672 1.702 24 HB2 LYS 6 HB2 LYS 6 16.970 -4.052 1.873 25 HB3 LYS 6 HB3 LYS 6 16.129 -2.887 0.854 26 HG2 LYS 6 HG2 LYS 6 15.233 -1.732 2.835 27 HG3 LYS 6 HG3 LYS 6 16.017 -2.912 3.905 28 HD2 LYS 6 HD2 LYS 6 18.239 -2.219 3.109 29 HD3 LYS 6 HD3 LYS 6 17.492 -1.119 1.949 30 HE2 LYS 6 HE2 LYS 6 18.278 0.196 3.778 31 HE3 LYS 6 HE3 LYS 6 16.514 0.202 3.816 32 HZ1 LYS 6 HZ1 LYS 6 18.314 -1.357 5.586 33 HZ2 LYS 6 HZ2 LYS 6 16.678 -1.530 5.569 34 HZ3 LYS 6 HZ3 LYS 6 17.337 -0.117 6.016 35 H SER 7 HN SER 7 13.359 -6.415 1.500 36 HA SER 7 HA SER 7 14.447 -7.169 -1.167 37 HB2 SER 7 HB2 SER 7 13.468 -8.953 1.091 38 HB3 SER 7 HB3 SER 7 14.135 -9.499 -0.463 39 HG SER 7 HG SER 7 15.782 -9.518 1.048 40 H ARG 8 HN ARG 8 12.853 -8.684 -2.403 41 HA ARG 8 HA ARG 8 10.102 -7.586 -2.321 42 HB2 ARG 8 HB2 ARG 8 11.488 -9.662 -4.065 43 HB3 ARG 8 HB3 ARG 8 9.748 -9.381 -4.099 44 HG2 ARG 8 HG2 ARG 8 10.141 -6.982 -4.650 45 HG3 ARG 8 HG3 ARG 8 11.877 -7.336 -4.795 46 HD2 ARG 8 HD2 ARG 8 11.333 -9.069 -6.513 47 HD3 ARG 8 HD3 ARG 8 9.628 -8.678 -6.394 48 HE ARG 8 HE ARG 8 11.771 -7.151 -7.679 49 HH11 ARG 8 HH11 ARG 8 8.403 -6.933 -6.511 50 HH12 ARG 8 HH12 ARG 8 7.961 -5.725 -7.714 51 HH21 ARG 8 HH21 ARG 8 11.086 -5.716 -9.299 52 HH22 ARG 8 HH22 ARG 8 9.525 -4.971 -9.274 53 H ARG 9 HN ARG 9 9.846 -8.286 0.041 54 HA ARG 9 HA ARG 9 9.541 -11.175 0.439 55 HB2 ARG 9 HB2 ARG 9 10.258 -9.545 2.257 56 HB3 ARG 9 HB3 ARG 9 8.585 -9.011 2.345 57 HG2 ARG 9 HG2 ARG 9 8.508 -10.687 3.950 58 HG3 ARG 9 HG3 ARG 9 8.123 -11.681 2.541 59 HD2 ARG 9 HD2 ARG 9 10.716 -12.021 2.354 60 HD3 ARG 9 HD3 ARG 9 10.745 -11.325 3.988 61 HE ARG 9 HE ARG 9 8.892 -13.500 3.892 62 HH11 ARG 9 HH11 ARG 9 12.330 -12.727 4.435 63 HH12 ARG 9 HH12 ARG 9 12.687 -14.328 5.010 64 HH21 ARG 9 HH21 ARG 9 9.453 -15.596 4.407 65 HH22 ARG 9 HH22 ARG 9 11.015 -15.975 5.063 66 H ARG 10 HN ARG 10 8.074 -11.671 -1.225 67 HA ARG 10 HA ARG 10 6.101 -12.185 -2.120 68 HB2 ARG 10 HB2 ARG 10 4.607 -13.352 -0.750 69 HB3 ARG 10 HB3 ARG 10 6.210 -13.567 -0.074 70 HG2 ARG 10 HG2 ARG 10 5.608 -11.855 1.715 71 HG3 ARG 10 HG3 ARG 10 3.978 -11.808 1.021 72 HD2 ARG 10 HD2 ARG 10 4.089 -14.425 1.298 73 HD3 ARG 10 HD3 ARG 10 5.377 -14.088 2.456 74 HE ARG 10 HE ARG 10 2.496 -13.482 2.596 75 HH11 ARG 10 HH11 ARG 10 5.611 -13.254 4.343 76 HH12 ARG 10 HH12 ARG 10 4.901 -12.789 5.826 77 HH21 ARG 10 HH21 ARG 10 1.540 -13.156 4.665 78 HH22 ARG 10 HH22 ARG 10 2.551 -13.084 6.061 79 H ARG 11 HN ARG 11 3.354 -11.789 -1.401 80 HA ARG 11 HA ARG 11 2.936 -8.934 -1.009 81 HB2 ARG 11 HB2 ARG 11 2.224 -10.457 -3.524 82 HB3 ARG 11 HB3 ARG 11 0.998 -9.394 -2.857 83 HG2 ARG 11 HG2 ARG 11 2.512 -7.471 -2.977 84 HG3 ARG 11 HG3 ARG 11 3.793 -8.517 -3.619 85 HD2 ARG 11 HD2 ARG 11 2.367 -9.069 -5.585 86 HD3 ARG 11 HD3 ARG 11 1.049 -8.112 -4.906 87 HE ARG 11 HE ARG 11 1.923 -6.318 -5.956 88 HH11 ARG 11 HH11 ARG 11 4.566 -8.610 -5.634 89 HH12 ARG 11 HH12 ARG 11 5.813 -7.513 -6.088 90 HH21 ARG 11 HH21 ARG 11 3.437 -4.860 -6.708 91 HH22 ARG 11 HH22 ARG 11 5.126 -5.208 -6.754 92 H THR 12 HN THR 12 0.566 -8.669 -0.366 93 HA THR 12 HA THR 12 -0.561 -11.019 0.942 94 HB THR 12 HB THR 12 -2.303 -8.676 0.443 95 HG1 THR 12 HG1 THR 12 -1.288 -7.475 2.135 96 HG21 THR 12 HG21 THR 12 -2.910 -9.080 2.766 97 HG22 THR 12 HG22 THR 12 -1.494 -10.134 3.000 98 HG23 THR 12 HG23 THR 12 -2.830 -10.640 1.947 99 H ALA 13 HN ALA 13 -2.926 -11.627 0.280 100 HA ALA 13 HA ALA 13 -3.096 -12.093 -2.601 101 HB1 ALA 13 HB1 ALA 13 -3.809 -13.858 -1.110 102 HB2 ALA 13 HB2 ALA 13 -4.929 -12.749 -0.274 103 HB3 ALA 13 HB3 ALA 13 -5.219 -13.200 -1.965 104 H PHE 14 HN PHE 14 -3.099 -9.959 -3.300 105 HA PHE 14 HA PHE 14 -5.750 -8.649 -3.244 106 HB2 PHE 14 HB2 PHE 14 -2.977 -7.392 -3.212 107 HB3 PHE 14 HB3 PHE 14 -4.315 -6.598 -3.984 108 HD1 PHE 14 HD1 PHE 14 -4.324 -8.377 -0.609 109 HD2 PHE 14 HD2 PHE 14 -4.740 -4.686 -2.770 110 HE1 PHE 14 HE1 PHE 14 -4.713 -7.222 1.506 111 HE2 PHE 14 HE2 PHE 14 -5.310 -3.559 -0.625 112 HZ PHE 14 HZ PHE 14 -5.191 -4.776 1.507 113 H THR 15 HN THR 15 -6.554 -8.766 -5.376 114 HA THR 15 HA THR 15 -4.846 -9.823 -7.494 115 HB THR 15 HB THR 15 -6.958 -9.540 -8.798 116 HG1 THR 15 HG1 THR 15 -8.784 -9.028 -7.918 117 HG21 THR 15 HG21 THR 15 -6.372 -11.682 -7.551 118 HG22 THR 15 HG22 THR 15 -8.110 -11.442 -7.775 119 HG23 THR 15 HG23 THR 15 -7.362 -11.106 -6.202 120 H SER 16 HN SER 16 -4.926 -8.607 -9.695 121 HA SER 16 HA SER 16 -3.675 -6.131 -9.507 122 HB2 SER 16 HB2 SER 16 -5.246 -7.382 -11.768 123 HB3 SER 16 HB3 SER 16 -4.284 -5.900 -11.905 124 HG SER 16 HG SER 16 -2.460 -7.000 -11.368 125 H GLU 17 HN GLU 17 -7.193 -6.729 -9.441 126 HA GLU 17 HA GLU 17 -7.988 -4.035 -10.144 127 HB2 GLU 17 HB2 GLU 17 -9.319 -6.180 -8.421 128 HB3 GLU 17 HB3 GLU 17 -10.087 -4.682 -8.971 129 HG2 GLU 17 HG2 GLU 17 -9.836 -5.358 -11.319 130 HG3 GLU 17 HG3 GLU 17 -8.973 -6.822 -10.820 131 H GLN 18 HN GLN 18 -7.423 -5.810 -7.154 132 HA GLN 18 HA GLN 18 -8.009 -3.662 -5.386 133 HB2 GLN 18 HB2 GLN 18 -6.369 -6.142 -4.782 134 HB3 GLN 18 HB3 GLN 18 -7.352 -5.189 -3.658 135 HG2 GLN 18 HG2 GLN 18 -9.410 -5.911 -5.003 136 HG3 GLN 18 HG3 GLN 18 -8.341 -6.927 -5.970 137 HE21 GLN 18 HE21 GLN 18 -10.075 -6.802 -2.863 138 HE22 GLN 18 HE22 GLN 18 -9.504 -8.380 -2.370 139 H LEU 19 HN LEU 19 -5.126 -4.699 -7.100 140 HA LEU 19 HA LEU 19 -3.308 -2.982 -5.572 141 HB2 LEU 19 HB2 LEU 19 -3.157 -4.486 -8.215 142 HB3 LEU 19 HB3 LEU 19 -1.825 -3.525 -7.614 143 HG LEU 19 HG LEU 19 -3.033 -5.720 -5.878 144 HD11 LEU 19 HD11 LEU 19 -2.461 -6.936 -7.829 145 HD12 LEU 19 HD12 LEU 19 -1.109 -7.140 -6.718 146 HD13 LEU 19 HD13 LEU 19 -0.982 -6.005 -8.085 147 HD21 LEU 19 HD21 LEU 19 -1.553 -4.112 -4.775 148 HD22 LEU 19 HD22 LEU 19 -0.281 -4.424 -5.986 149 HD23 LEU 19 HD23 LEU 19 -0.794 -5.702 -4.863 150 H LEU 20 HN LEU 20 -5.672 -2.387 -8.112 151 HA LEU 20 HA LEU 20 -4.015 -0.518 -9.543 152 HB2 LEU 20 HB2 LEU 20 -6.364 -1.956 -10.107 153 HB3 LEU 20 HB3 LEU 20 -6.962 -0.335 -9.910 154 HG LEU 20 HG LEU 20 -6.484 -0.749 -12.234 155 HD11 LEU 20 HD11 LEU 20 -5.007 1.045 -12.825 156 HD12 LEU 20 HD12 LEU 20 -4.217 1.006 -11.239 157 HD13 LEU 20 HD13 LEU 20 -5.917 1.520 -11.375 158 HD21 LEU 20 HD21 LEU 20 -4.928 -2.604 -11.963 159 HD22 LEU 20 HD22 LEU 20 -3.644 -1.514 -11.403 160 HD23 LEU 20 HD23 LEU 20 -4.254 -1.392 -13.057 161 H GLU 21 HN GLU 21 -6.945 -0.238 -7.601 162 HA GLU 21 HA GLU 21 -7.166 2.565 -7.500 163 HB2 GLU 21 HB2 GLU 21 -8.028 0.510 -5.427 164 HB3 GLU 21 HB3 GLU 21 -8.688 2.134 -5.580 165 HG2 GLU 21 HG2 GLU 21 -8.898 -0.102 -7.654 166 HG3 GLU 21 HG3 GLU 21 -10.158 0.365 -6.524 167 H LEU 22 HN LEU 22 -5.622 0.271 -5.345 168 HA LEU 22 HA LEU 22 -4.777 1.966 -3.224 169 HB2 LEU 22 HB2 LEU 22 -4.032 -0.704 -4.341 170 HB3 LEU 22 HB3 LEU 22 -2.709 0.096 -3.529 171 HG LEU 22 HG LEU 22 -3.866 0.210 -1.428 172 HD11 LEU 22 HD11 LEU 22 -6.156 0.679 -2.168 173 HD12 LEU 22 HD12 LEU 22 -6.152 -0.790 -1.168 174 HD13 LEU 22 HD13 LEU 22 -6.242 -0.900 -2.938 175 HD21 LEU 22 HD21 LEU 22 -2.893 -2.017 -2.498 176 HD22 LEU 22 HD22 LEU 22 -4.564 -2.513 -2.540 177 HD23 LEU 22 HD23 LEU 22 -3.808 -2.083 -0.982 178 H ARG 23 HN ARG 23 -3.205 1.246 -6.347 179 HA ARG 23 HA ARG 23 -0.742 2.581 -5.489 180 HB2 ARG 23 HB2 ARG 23 -1.680 1.057 -7.942 181 HB3 ARG 23 HB3 ARG 23 -0.188 1.996 -7.961 182 HG2 ARG 23 HG2 ARG 23 0.746 0.657 -6.144 183 HG3 ARG 23 HG3 ARG 23 -0.788 -0.207 -5.951 184 HD2 ARG 23 HD2 ARG 23 0.766 -1.597 -7.192 185 HD3 ARG 23 HD3 ARG 23 -0.583 -1.121 -8.236 186 HE ARG 23 HE ARG 23 1.463 0.787 -8.573 187 HH11 ARG 23 HH11 ARG 23 1.054 -2.672 -9.253 188 HH12 ARG 23 HH12 ARG 23 1.868 -2.629 -10.769 189 HH21 ARG 23 HH21 ARG 23 2.693 0.834 -10.478 190 HH22 ARG 23 HH22 ARG 23 2.592 -0.485 -11.607 191 H LYS 24 HN LYS 24 -3.691 3.195 -7.377 192 HA LYS 24 HA LYS 24 -2.697 5.627 -8.502 193 HB2 LYS 24 HB2 LYS 24 -5.438 4.421 -8.183 194 HB3 LYS 24 HB3 LYS 24 -5.317 6.150 -8.545 195 HG2 LYS 24 HG2 LYS 24 -3.944 5.574 -10.570 196 HG3 LYS 24 HG3 LYS 24 -4.256 3.863 -10.224 197 HD2 LYS 24 HD2 LYS 24 -6.676 4.220 -10.451 198 HD3 LYS 24 HD3 LYS 24 -6.391 5.934 -10.818 199 HE2 LYS 24 HE2 LYS 24 -4.903 5.094 -12.758 200 HE3 LYS 24 HE3 LYS 24 -5.581 3.490 -12.442 201 HZ1 LYS 24 HZ1 LYS 24 -6.896 4.416 -14.103 202 HZ2 LYS 24 HZ2 LYS 24 -6.974 5.907 -13.389 203 HZ3 LYS 24 HZ3 LYS 24 -7.824 4.647 -12.779 204 H GLU 25 HN GLU 25 -4.669 4.894 -5.572 205 HA GLU 25 HA GLU 25 -4.971 7.511 -4.624 206 HB2 GLU 25 HB2 GLU 25 -4.694 4.854 -3.156 207 HB3 GLU 25 HB3 GLU 25 -5.017 6.357 -2.303 208 HG2 GLU 25 HG2 GLU 25 -6.848 5.137 -4.397 209 HG3 GLU 25 HG3 GLU 25 -7.036 5.024 -2.662 210 H PHE 26 HN PHE 26 -2.252 5.291 -4.203 211 HA PHE 26 HA PHE 26 -0.786 6.617 -2.240 212 HB2 PHE 26 HB2 PHE 26 -0.387 4.336 -3.304 213 HB3 PHE 26 HB3 PHE 26 0.345 5.161 -4.668 214 HD1 PHE 26 HD1 PHE 26 0.691 4.274 -1.102 215 HD2 PHE 26 HD2 PHE 26 2.598 6.139 -4.500 216 HE1 PHE 26 HE1 PHE 26 2.849 4.236 0.087 217 HE2 PHE 26 HE2 PHE 26 4.764 6.075 -3.321 218 HZ PHE 26 HZ PHE 26 4.912 5.139 -1.024 219 H HIS 27 HN HIS 27 -1.002 7.405 -5.720 220 HA HIS 27 HA HIS 27 1.227 9.302 -5.512 221 HB2 HIS 27 HB2 HIS 27 0.577 7.827 -7.558 222 HB3 HIS 27 HB3 HIS 27 -0.622 9.082 -7.885 223 HD1 HIS 27 HD1 HIS 27 0.395 10.944 -9.463 224 HD2 HIS 27 HD2 HIS 27 3.225 8.931 -7.067 225 HE1 HIS 27 HE1 HIS 27 2.670 11.912 -10.050 226 H CYS 28 HN CYS 28 -2.151 9.373 -4.851 227 HA CYS 28 HA CYS 28 -2.337 12.317 -5.176 228 HB2 CYS 28 HB2 CYS 28 -4.364 10.143 -4.560 229 HB3 CYS 28 HB3 CYS 28 -4.689 11.857 -4.197 230 HG CYS 28 HG CYS 28 -4.521 12.837 -6.425 231 H LYS 29 HN LYS 29 -3.145 10.003 -2.484 232 HA LYS 29 HA LYS 29 -2.560 12.350 -0.743 233 HB2 LYS 29 HB2 LYS 29 -4.174 11.568 0.832 234 HB3 LYS 29 HB3 LYS 29 -4.902 11.948 -0.703 235 HG2 LYS 29 HG2 LYS 29 -4.238 9.069 -0.040 236 HG3 LYS 29 HG3 LYS 29 -5.636 9.856 0.662 237 HD2 LYS 29 HD2 LYS 29 -5.192 9.737 -2.349 238 HD3 LYS 29 HD3 LYS 29 -6.062 8.518 -1.421 239 HE2 LYS 29 HE2 LYS 29 -7.612 10.263 -0.564 240 HE3 LYS 29 HE3 LYS 29 -6.801 11.481 -1.561 241 HZ1 LYS 29 HZ1 LYS 29 -8.123 9.062 -2.623 242 HZ2 LYS 29 HZ2 LYS 29 -7.555 10.321 -3.523 243 HZ3 LYS 29 HZ3 LYS 29 -8.825 10.551 -2.529 244 H LYS 30 HN LYS 30 -1.067 12.232 0.727 245 HA LYS 30 HA LYS 30 0.582 9.852 0.920 246 HB2 LYS 30 HB2 LYS 30 1.758 11.046 2.751 247 HB3 LYS 30 HB3 LYS 30 1.739 11.884 1.215 248 HG2 LYS 30 HG2 LYS 30 -0.432 12.612 3.175 249 HG3 LYS 30 HG3 LYS 30 1.212 13.044 3.628 250 HD2 LYS 30 HD2 LYS 30 -0.098 13.895 1.005 251 HD3 LYS 30 HD3 LYS 30 -0.017 14.856 2.491 252 HE2 LYS 30 HE2 LYS 30 2.495 14.612 2.428 253 HE3 LYS 30 HE3 LYS 30 2.331 13.912 0.811 254 HZ1 LYS 30 HZ1 LYS 30 1.323 16.017 0.103 255 HZ2 LYS 30 HZ2 LYS 30 2.804 16.228 0.739 256 HZ3 LYS 30 HZ3 LYS 30 1.475 16.628 1.636 257 H TYR 31 HN TYR 31 -2.280 10.937 2.647 258 HA TYR 31 HA TYR 31 -2.249 8.494 4.282 259 HB2 TYR 31 HB2 TYR 31 -2.561 11.364 5.266 260 HB3 TYR 31 HB3 TYR 31 -3.256 10.010 6.123 261 HD1 TYR 31 HD1 TYR 31 -1.871 8.336 7.232 262 HD2 TYR 31 HD2 TYR 31 -0.102 11.779 5.359 263 HE1 TYR 31 HE1 TYR 31 0.247 7.831 8.361 264 HE2 TYR 31 HE2 TYR 31 2.057 11.283 6.467 265 HH TYR 31 HH TYR 31 2.494 8.226 8.296 266 H LEU 32 HN LEU 32 -4.318 7.643 4.351 267 HA LEU 32 HA LEU 32 -6.603 9.051 3.044 268 HB2 LEU 32 HB2 LEU 32 -6.232 6.305 4.320 269 HB3 LEU 32 HB3 LEU 32 -7.734 6.845 3.634 270 HG LEU 32 HG LEU 32 -5.189 6.413 2.035 271 HD11 LEU 32 HD11 LEU 32 -7.676 4.708 2.456 272 HD12 LEU 32 HD12 LEU 32 -6.010 4.304 2.949 273 HD13 LEU 32 HD13 LEU 32 -6.457 4.376 1.241 274 HD21 LEU 32 HD21 LEU 32 -6.814 8.018 0.954 275 HD22 LEU 32 HD22 LEU 32 -8.056 6.762 1.038 276 HD23 LEU 32 HD23 LEU 32 -6.611 6.507 0.060 277 H SER 33 HN SER 33 -8.440 9.720 4.454 278 HA SER 33 HA SER 33 -8.007 9.675 7.350 279 HB2 SER 33 HB2 SER 33 -10.686 10.198 6.076 280 HB3 SER 33 HB3 SER 33 -10.006 10.862 7.530 281 HG SER 33 HG SER 33 -8.612 12.136 6.321 282 H LEU 34 HN LEU 34 -10.129 8.776 8.615 283 HA LEU 34 HA LEU 34 -10.048 5.960 8.472 284 HB2 LEU 34 HB2 LEU 34 -11.834 7.992 9.855 285 HB3 LEU 34 HB3 LEU 34 -12.220 6.290 9.936 286 HG LEU 34 HG LEU 34 -10.979 7.153 11.894 287 HD11 LEU 34 HD11 LEU 34 -9.558 4.933 10.387 288 HD12 LEU 34 HD12 LEU 34 -11.030 4.776 11.388 289 HD13 LEU 34 HD13 LEU 34 -9.496 5.242 12.132 290 HD21 LEU 34 HD21 LEU 34 -8.610 7.554 11.875 291 HD22 LEU 34 HD22 LEU 34 -9.376 8.675 10.746 292 HD23 LEU 34 HD23 LEU 34 -8.499 7.246 10.132 293 H THR 35 HN THR 35 -12.833 8.134 7.602 294 HA THR 35 HA THR 35 -14.385 6.125 6.451 295 HB THR 35 HB THR 35 -14.234 9.092 5.803 296 HG1 THR 35 HG1 THR 35 -15.636 7.570 7.734 297 HG21 THR 35 HG21 THR 35 -15.715 7.963 4.183 298 HG22 THR 35 HG22 THR 35 -16.667 8.915 5.330 299 HG23 THR 35 HG23 THR 35 -16.572 7.149 5.511 300 H GLU 36 HN GLU 36 -11.900 8.202 4.839 301 HA GLU 36 HA GLU 36 -12.206 7.308 2.268 302 HB2 GLU 36 HB2 GLU 36 -9.573 7.831 3.655 303 HB3 GLU 36 HB3 GLU 36 -9.870 7.907 1.935 304 HG2 GLU 36 HG2 GLU 36 -10.807 9.765 4.121 305 HG3 GLU 36 HG3 GLU 36 -9.650 10.129 2.861 306 H ARG 37 HN ARG 37 -10.145 5.796 4.844 307 HA ARG 37 HA ARG 37 -9.291 3.548 3.294 308 HB2 ARG 37 HB2 ARG 37 -9.810 3.884 6.272 309 HB3 ARG 37 HB3 ARG 37 -9.352 2.327 5.588 310 HG2 ARG 37 HG2 ARG 37 -7.240 3.155 4.809 311 HG3 ARG 37 HG3 ARG 37 -7.700 4.831 5.173 312 HD2 ARG 37 HD2 ARG 37 -6.141 3.815 6.855 313 HD3 ARG 37 HD3 ARG 37 -7.650 4.476 7.504 314 HE ARG 37 HE ARG 37 -7.598 1.591 6.884 315 HH11 ARG 37 HH11 ARG 37 -7.218 4.052 9.409 316 HH12 ARG 37 HH12 ARG 37 -7.661 3.065 10.716 317 HH21 ARG 37 HH21 ARG 37 -8.227 0.206 8.522 318 HH22 ARG 37 HH22 ARG 37 -8.459 0.734 10.155 319 H SER 38 HN SER 38 -12.375 4.064 4.999 320 HA SER 38 HA SER 38 -13.290 1.385 4.540 321 HB2 SER 38 HB2 SER 38 -14.059 3.376 6.161 322 HB3 SER 38 HB3 SER 38 -15.226 3.645 4.876 323 HG SER 38 HG SER 38 -15.897 1.467 5.145 324 H GLN 39 HN GLN 39 -13.213 4.285 2.459 325 HA GLN 39 HA GLN 39 -15.083 3.283 0.468 326 HB2 GLN 39 HB2 GLN 39 -12.795 5.284 0.136 327 HB3 GLN 39 HB3 GLN 39 -14.048 4.932 -1.038 328 HG2 GLN 39 HG2 GLN 39 -15.782 5.728 0.493 329 HG3 GLN 39 HG3 GLN 39 -14.572 6.092 1.729 330 HE21 GLN 39 HE21 GLN 39 -12.533 7.385 0.274 331 HE22 GLN 39 HE22 GLN 39 -13.191 8.796 -0.521 332 H ILE 40 HN ILE 40 -11.512 3.472 0.597 333 HA ILE 40 HA ILE 40 -11.094 1.873 -1.695 334 HB ILE 40 HB ILE 40 -9.116 2.248 0.560 335 HG12 ILE 40 HG12 ILE 40 -9.794 4.461 0.309 336 HG13 ILE 40 HG13 ILE 40 -8.336 4.325 -0.615 337 HG21 ILE 40 HG21 ILE 40 -8.737 2.036 -2.454 338 HG22 ILE 40 HG22 ILE 40 -7.445 2.379 -1.283 339 HG23 ILE 40 HG23 ILE 40 -8.292 0.823 -1.243 340 HD11 ILE 40 HD11 ILE 40 -10.034 5.647 -1.775 341 HD12 ILE 40 HD12 ILE 40 -9.638 4.185 -2.706 342 HD13 ILE 40 HD13 ILE 40 -11.146 4.273 -1.769 343 H ALA 41 HN ALA 41 -12.168 0.925 1.264 344 HA ALA 41 HA ALA 41 -11.073 -1.853 1.266 345 HB1 ALA 41 HB1 ALA 41 -11.224 -0.773 3.462 346 HB2 ALA 41 HB2 ALA 41 -12.957 -0.459 3.220 347 HB3 ALA 41 HB3 ALA 41 -12.371 -2.117 3.374 348 H HIS 42 HN HIS 42 -14.310 -0.211 1.277 349 HA HIS 42 HA HIS 42 -15.715 -2.590 0.617 350 HB2 HIS 42 HB2 HIS 42 -16.631 -0.365 1.522 351 HB3 HIS 42 HB3 HIS 42 -16.589 0.230 -0.138 352 HD1 HIS 42 HD1 HIS 42 -19.122 -0.824 2.055 353 HD2 HIS 42 HD2 HIS 42 -17.968 -2.032 -1.825 354 HE1 HIS 42 HE1 HIS 42 -21.065 -2.080 1.087 355 H ALA 43 HN ALA 43 -14.287 -0.012 -1.384 356 HA ALA 43 HA ALA 43 -15.339 -0.735 -3.892 357 HB1 ALA 43 HB1 ALA 43 -14.203 1.390 -3.367 358 HB2 ALA 43 HB2 ALA 43 -12.646 0.528 -3.269 359 HB3 ALA 43 HB3 ALA 43 -13.532 0.596 -4.810 360 H LEU 44 HN LEU 44 -12.966 -2.383 -2.026 361 HA LEU 44 HA LEU 44 -12.079 -3.995 -4.374 362 HB2 LEU 44 HB2 LEU 44 -10.543 -3.168 -1.887 363 HB3 LEU 44 HB3 LEU 44 -9.928 -4.184 -3.194 364 HG LEU 44 HG LEU 44 -10.691 -1.239 -3.419 365 HD11 LEU 44 HD11 LEU 44 -8.640 -1.648 -2.185 366 HD12 LEU 44 HD12 LEU 44 -8.293 -0.953 -3.762 367 HD13 LEU 44 HD13 LEU 44 -8.018 -2.684 -3.463 368 HD21 LEU 44 HD21 LEU 44 -11.139 -1.874 -5.574 369 HD22 LEU 44 HD22 LEU 44 -10.103 -3.301 -5.530 370 HD23 LEU 44 HD23 LEU 44 -9.397 -1.687 -5.718 371 H LYS 45 HN LYS 45 -14.202 -4.232 -1.987 372 HA LYS 45 HA LYS 45 -15.120 -5.877 -0.796 373 HB2 LYS 45 HB2 LYS 45 -13.867 -7.223 -3.058 374 HB3 LYS 45 HB3 LYS 45 -13.765 -8.286 -1.675 375 HG2 LYS 45 HG2 LYS 45 -16.349 -6.875 -2.428 376 HG3 LYS 45 HG3 LYS 45 -15.835 -8.363 -3.234 377 HD2 LYS 45 HD2 LYS 45 -15.767 -9.575 -1.116 378 HD3 LYS 45 HD3 LYS 45 -16.268 -8.104 -0.237 379 HE2 LYS 45 HE2 LYS 45 -18.305 -7.992 -1.662 380 HE3 LYS 45 HE3 LYS 45 -17.815 -9.472 -2.489 381 HZ1 LYS 45 HZ1 LYS 45 -18.461 -9.296 0.400 382 HZ2 LYS 45 HZ2 LYS 45 -18.105 -10.678 -0.448 383 HZ3 LYS 45 HZ3 LYS 45 -19.456 -9.807 -0.787 384 H LEU 46 HN LEU 46 -12.339 -4.770 -0.052 385 HA LEU 46 HA LEU 46 -11.219 -6.964 1.615 386 HB2 LEU 46 HB2 LEU 46 -10.209 -4.255 0.686 387 HB3 LEU 46 HB3 LEU 46 -9.377 -5.133 1.953 388 HG LEU 46 HG LEU 46 -9.923 -6.384 -0.749 389 HD11 LEU 46 HD11 LEU 46 -7.561 -4.735 0.180 390 HD12 LEU 46 HD12 LEU 46 -8.627 -4.391 -1.181 391 HD13 LEU 46 HD13 LEU 46 -7.527 -5.778 -1.261 392 HD21 LEU 46 HD21 LEU 46 -8.016 -7.849 -0.206 393 HD22 LEU 46 HD22 LEU 46 -9.290 -8.011 1.010 394 HD23 LEU 46 HD23 LEU 46 -7.818 -7.057 1.348 395 H SER 47 HN SER 47 -10.471 -6.339 3.810 396 HA SER 47 HA SER 47 -12.527 -4.898 5.307 397 HB2 SER 47 HB2 SER 47 -9.954 -6.314 6.137 398 HB3 SER 47 HB3 SER 47 -11.171 -5.688 7.234 399 HG SER 47 HG SER 47 -11.607 -7.892 6.866 400 H GLU 48 HN GLU 48 -12.049 -3.109 6.717 401 HA GLU 48 HA GLU 48 -10.428 -1.025 5.726 402 HB2 GLU 48 HB2 GLU 48 -11.397 -1.561 8.563 403 HB3 GLU 48 HB3 GLU 48 -10.732 -0.028 8.004 404 HG2 GLU 48 HG2 GLU 48 -12.595 0.269 6.450 405 HG3 GLU 48 HG3 GLU 48 -13.278 -1.304 6.902 406 H VAL 49 HN VAL 49 -9.584 -3.672 7.873 407 HA VAL 49 HA VAL 49 -6.992 -2.635 8.663 408 HB VAL 49 HB VAL 49 -8.383 -5.314 8.897 409 HG11 VAL 49 HG11 VAL 49 -5.623 -4.569 9.948 410 HG12 VAL 49 HG12 VAL 49 -6.592 -5.923 10.558 411 HG13 VAL 49 HG13 VAL 49 -6.072 -5.904 8.871 412 HG21 VAL 49 HG21 VAL 49 -8.543 -4.724 11.285 413 HG22 VAL 49 HG22 VAL 49 -7.657 -3.211 11.003 414 HG23 VAL 49 HG23 VAL 49 -9.271 -3.446 10.310 415 H GLN 50 HN GLN 50 -8.054 -5.133 6.171 416 HA GLN 50 HA GLN 50 -5.523 -5.889 5.271 417 HB2 GLN 50 HB2 GLN 50 -8.094 -5.341 3.743 418 HB3 GLN 50 HB3 GLN 50 -6.702 -6.091 3.018 419 HG2 GLN 50 HG2 GLN 50 -8.136 -7.272 5.425 420 HG3 GLN 50 HG3 GLN 50 -8.602 -7.620 3.766 421 HE21 GLN 50 HE21 GLN 50 -7.808 -9.694 5.547 422 HE22 GLN 50 HE22 GLN 50 -6.266 -10.276 5.008 423 H VAL 51 HN VAL 51 -7.487 -3.055 4.246 424 HA VAL 51 HA VAL 51 -5.577 -2.096 2.385 425 HB VAL 51 HB VAL 51 -7.697 -0.461 3.834 426 HG11 VAL 51 HG11 VAL 51 -6.321 -0.146 1.115 427 HG12 VAL 51 HG12 VAL 51 -7.696 0.827 1.683 428 HG13 VAL 51 HG13 VAL 51 -6.151 0.921 2.525 429 HG21 VAL 51 HG21 VAL 51 -8.845 -2.404 2.905 430 HG22 VAL 51 HG22 VAL 51 -9.136 -1.017 1.866 431 HG23 VAL 51 HG23 VAL 51 -7.963 -2.244 1.369 432 H LYS 52 HN LYS 52 -6.054 -1.210 5.913 433 HA LYS 52 HA LYS 52 -4.154 0.863 5.853 434 HB2 LYS 52 HB2 LYS 52 -4.347 1.020 8.085 435 HB3 LYS 52 HB3 LYS 52 -5.821 0.139 7.758 436 HG2 LYS 52 HG2 LYS 52 -4.739 -1.936 8.469 437 HG3 LYS 52 HG3 LYS 52 -3.224 -1.106 8.764 438 HD2 LYS 52 HD2 LYS 52 -4.020 -0.059 10.689 439 HD3 LYS 52 HD3 LYS 52 -5.728 -0.245 10.225 440 HE2 LYS 52 HE2 LYS 52 -5.640 -2.627 10.526 441 HE3 LYS 52 HE3 LYS 52 -3.892 -2.611 10.796 442 HZ1 LYS 52 HZ1 LYS 52 -5.380 -2.789 12.797 443 HZ2 LYS 52 HZ2 LYS 52 -5.757 -1.219 12.615 444 HZ3 LYS 52 HZ3 LYS 52 -4.182 -1.691 12.892 445 H ILE 53 HN ILE 53 -3.710 -2.627 6.276 446 HA ILE 53 HA ILE 53 -0.937 -2.447 6.920 447 HB ILE 53 HB ILE 53 -2.569 -4.737 5.717 448 HG12 ILE 53 HG12 ILE 53 -1.603 -4.571 8.581 449 HG13 ILE 53 HG13 ILE 53 -3.100 -3.773 8.130 450 HG21 ILE 53 HG21 ILE 53 -0.718 -6.225 6.570 451 HG22 ILE 53 HG22 ILE 53 -0.206 -5.174 5.267 452 HG23 ILE 53 HG23 ILE 53 0.233 -4.758 6.935 453 HD11 ILE 53 HD11 ILE 53 -2.525 -6.739 7.836 454 HD12 ILE 53 HD12 ILE 53 -3.568 -5.947 9.030 455 HD13 ILE 53 HD13 ILE 53 -4.013 -5.911 7.314 456 H TRP 54 HN TRP 54 -2.698 -2.684 3.778 457 HA TRP 54 HA TRP 54 -0.294 -3.211 2.306 458 HB2 TRP 54 HB2 TRP 54 -2.728 -3.614 1.593 459 HB3 TRP 54 HB3 TRP 54 -2.754 -1.914 1.131 460 HD1 TRP 54 HD1 TRP 54 -1.784 -5.284 -0.059 461 HE1 TRP 54 HE1 TRP 54 -0.629 -5.195 -2.327 462 HE3 TRP 54 HE3 TRP 54 -1.107 -0.214 -0.410 463 HZ2 TRP 54 HZ2 TRP 54 0.554 -3.163 -4.054 464 HZ3 TRP 54 HZ3 TRP 54 -0.099 0.758 -2.422 465 HH2 TRP 54 HH2 TRP 54 0.815 -0.704 -4.216 466 H PHE 55 HN PHE 55 -2.165 -0.163 2.856 467 HA PHE 55 HA PHE 55 -0.466 1.542 1.385 468 HB2 PHE 55 HB2 PHE 55 -2.373 1.964 3.680 469 HB3 PHE 55 HB3 PHE 55 -1.287 3.264 3.245 470 HD1 PHE 55 HD2 PHE 55 -3.817 0.955 1.643 471 HD2 PHE 55 HD1 PHE 55 -1.891 4.821 1.583 472 HE1 PHE 55 HE2 PHE 55 -5.401 1.747 -0.105 473 HE2 PHE 55 HE1 PHE 55 -3.479 5.552 -0.208 474 HZ PHE 55 HZ PHE 55 -5.200 4.000 -1.046 475 H GLN 56 HN GLN 56 -0.133 0.544 4.859 476 HA GLN 56 HA GLN 56 2.180 2.193 5.261 477 HB2 GLN 56 HB2 GLN 56 2.569 0.869 7.281 478 HB3 GLN 56 HB3 GLN 56 0.812 1.207 7.164 479 HG2 GLN 56 HG2 GLN 56 0.334 -0.932 6.490 480 HG3 GLN 56 HG3 GLN 56 2.017 -1.389 6.285 481 HE21 GLN 56 HE21 GLN 56 -0.275 -0.385 8.996 482 HE22 GLN 56 HE22 GLN 56 0.720 -1.274 10.129 483 H ASN 57 HN ASN 57 1.845 -1.042 3.933 484 HA ASN 57 HA ASN 57 4.677 -1.726 4.123 485 HB2 ASN 57 HB2 ASN 57 2.157 -2.945 2.944 486 HB3 ASN 57 HB3 ASN 57 3.712 -3.423 2.304 487 HD21 ASN 57 HD21 ASN 57 1.970 -3.235 5.514 488 HD22 ASN 57 HD22 ASN 57 2.918 -4.559 6.202 489 H GLU 58 HN GLU 58 2.558 -0.030 1.896 490 HA GLU 58 HA GLU 58 4.436 -0.215 -0.319 491 HB2 GLU 58 HB2 GLU 58 1.911 0.005 -0.427 492 HB3 GLU 58 HB3 GLU 58 2.106 1.714 -0.064 493 HG2 GLU 58 HG2 GLU 58 2.004 1.502 -2.484 494 HG3 GLU 58 HG3 GLU 58 3.641 1.935 -2.048 495 H ARG 59 HN ARG 59 3.527 2.262 2.094 496 HA ARG 59 HA ARG 59 5.026 4.337 1.021 497 HB2 ARG 59 HB2 ARG 59 3.686 3.882 3.478 498 HB3 ARG 59 HB3 ARG 59 5.284 4.463 3.913 499 HG2 ARG 59 HG2 ARG 59 3.583 5.841 1.784 500 HG3 ARG 59 HG3 ARG 59 3.400 6.209 3.482 501 HD2 ARG 59 HD2 ARG 59 6.138 6.396 2.169 502 HD3 ARG 59 HD3 ARG 59 4.953 7.704 2.056 503 HE ARG 59 HE ARG 59 5.133 6.861 4.754 504 HH11 ARG 59 HH11 ARG 59 6.846 9.009 2.474 505 HH12 ARG 59 HH12 ARG 59 7.479 9.990 3.754 506 HH21 ARG 59 HH21 ARG 59 5.755 8.199 6.277 507 HH22 ARG 59 HH22 ARG 59 6.947 9.445 6.053 508 H ALA 60 HN ALA 60 6.159 1.612 2.825 509 HA ALA 60 HA ALA 60 8.907 2.671 3.161 510 HB1 ALA 60 HB1 ALA 60 8.058 1.209 4.887 511 HB2 ALA 60 HB2 ALA 60 7.708 -0.080 3.700 512 HB3 ALA 60 HB3 ALA 60 9.387 0.383 4.042 513 H LYS 61 HN LYS 61 7.237 0.279 0.983 514 HA LYS 61 HA LYS 61 9.640 -0.658 -0.192 515 HB2 LYS 61 HB2 LYS 61 7.694 -2.083 -0.367 516 HB3 LYS 61 HB3 LYS 61 6.623 -0.708 -0.680 517 HG2 LYS 61 HG2 LYS 61 7.508 -0.348 -2.820 518 HG3 LYS 61 HG3 LYS 61 8.671 -1.715 -2.675 519 HD2 LYS 61 HD2 LYS 61 5.663 -2.006 -2.528 520 HD3 LYS 61 HD3 LYS 61 6.541 -2.010 -4.053 521 HE2 LYS 61 HE2 LYS 61 7.888 -3.952 -3.197 522 HE3 LYS 61 HE3 LYS 61 6.842 -3.980 -1.766 523 HZ1 LYS 61 HZ1 LYS 61 6.058 -5.539 -3.401 524 HZ2 LYS 61 HZ2 LYS 61 5.973 -4.357 -4.564 525 HZ3 LYS 61 HZ3 LYS 61 4.956 -4.311 -3.286 526 H TRP 62 HN TRP 62 7.312 2.007 -0.930 527 HA TRP 62 HA TRP 62 8.752 2.650 -3.339 528 HB2 TRP 62 HB2 TRP 62 6.266 3.199 -2.630 529 HB3 TRP 62 HB3 TRP 62 7.002 4.665 -1.984 530 HD1 TRP 62 HD1 TRP 62 5.991 2.934 -5.168 531 HE1 TRP 62 HE1 TRP 62 6.483 4.336 -7.222 532 HE3 TRP 62 HE3 TRP 62 8.842 6.544 -2.954 533 HZ2 TRP 62 HZ2 TRP 62 8.093 6.695 -7.875 534 HZ3 TRP 62 HZ3 TRP 62 9.933 8.283 -4.324 535 HH2 TRP 62 HH2 TRP 62 9.537 8.399 -6.788 536 H LYS 63 HN LYS 63 8.818 4.003 0.053 537 HA LYS 63 HA LYS 63 10.617 6.098 -0.581 538 HB2 LYS 63 HB2 LYS 63 10.106 4.521 1.964 539 HB3 LYS 63 HB3 LYS 63 11.474 5.606 1.862 540 HG2 LYS 63 HG2 LYS 63 9.389 7.197 0.847 541 HG3 LYS 63 HG3 LYS 63 8.614 6.267 2.119 542 HD2 LYS 63 HD2 LYS 63 9.428 8.278 3.095 543 HD3 LYS 63 HD3 LYS 63 10.450 6.973 3.688 544 HE2 LYS 63 HE2 LYS 63 12.309 7.894 2.787 545 HE3 LYS 63 HE3 LYS 63 11.543 8.064 1.196 546 HZ1 LYS 63 HZ1 LYS 63 10.671 10.165 1.829 547 HZ2 LYS 63 HZ2 LYS 63 12.268 10.168 2.290 548 HZ3 LYS 63 HZ3 LYS 63 11.107 9.988 3.409 549 H ARG 64 HN ARG 64 11.389 2.650 -0.058 550 HA ARG 64 HA ARG 64 14.207 3.106 0.054 551 HB2 ARG 64 HB2 ARG 64 14.482 0.933 0.299 552 HB3 ARG 64 HB3 ARG 64 12.748 1.035 0.658 553 HG2 ARG 64 HG2 ARG 64 12.386 0.560 -1.802 554 HG3 ARG 64 HG3 ARG 64 14.086 0.169 -1.864 555 HD2 ARG 64 HD2 ARG 64 13.683 -1.507 0.028 556 HD3 ARG 64 HD3 ARG 64 11.951 -1.292 -0.281 557 HE ARG 64 HE ARG 64 13.593 -1.931 -2.629 558 HH11 ARG 64 HH11 ARG 64 11.673 -3.431 0.007 559 HH12 ARG 64 HH12 ARG 64 11.736 -5.001 -0.693 560 HH21 ARG 64 HH21 ARG 64 13.291 -3.867 -3.696 561 HH22 ARG 64 HH22 ARG 64 12.601 -5.245 -2.924 562 H ILE 65 HN ILE 65 12.106 3.174 -2.582 563 HA ILE 65 HA ILE 65 14.046 2.744 -4.694 564 HB ILE 65 HB ILE 65 11.395 4.220 -4.959 565 HG12 ILE 65 HG12 ILE 65 11.947 1.219 -5.120 566 HG13 ILE 65 HG13 ILE 65 11.036 2.066 -3.869 567 HG21 ILE 65 HG21 ILE 65 11.440 3.443 -7.281 568 HG22 ILE 65 HG22 ILE 65 12.855 4.398 -6.930 569 HG23 ILE 65 HG23 ILE 65 12.998 2.631 -7.001 570 HD11 ILE 65 HD11 ILE 65 9.400 1.068 -5.250 571 HD12 ILE 65 HD12 ILE 65 9.385 2.797 -5.652 572 HD13 ILE 65 HD13 ILE 65 10.189 1.627 -6.730 573 H LYS 66 HN LYS 66 13.337 5.509 -2.650 574 HA LYS 66 HA LYS 66 14.332 7.537 -4.492 575 HB2 LYS 66 HB2 LYS 66 13.824 7.689 -1.501 576 HB3 LYS 66 HB3 LYS 66 14.416 9.007 -2.516 577 HG2 LYS 66 HG2 LYS 66 12.254 8.291 -4.012 578 HG3 LYS 66 HG3 LYS 66 11.698 7.735 -2.438 579 HD2 LYS 66 HD2 LYS 66 10.864 9.946 -2.607 580 HD3 LYS 66 HD3 LYS 66 12.277 10.092 -1.567 581 HE2 LYS 66 HE2 LYS 66 12.402 11.914 -3.090 582 HE3 LYS 66 HE3 LYS 66 13.617 10.762 -3.638 583 HZ1 LYS 66 HZ1 LYS 66 12.044 10.047 -5.346 584 HZ2 LYS 66 HZ2 LYS 66 12.308 11.642 -5.470 585 HZ3 LYS 66 HZ3 LYS 66 10.912 11.140 -4.814 586 H ALA 67 HN ALA 67 16.029 6.606 -5.207 587 HA ALA 67 HA ALA 67 18.254 5.460 -4.122 588 HB1 ALA 67 HB1 ALA 67 17.828 5.571 -6.529 589 HB2 ALA 67 HB2 ALA 67 18.064 7.325 -6.525 590 HB3 ALA 67 HB3 ALA 67 19.434 6.266 -6.181 591 H GLY 68 HN GLY 68 18.048 8.857 -5.032 592 HA2 GLY 68 HA1 GLY 68 20.512 9.628 -3.706 593 HA3 GLY 68 HA2 GLY 68 19.334 10.706 -4.478 594 H ASN 69 HN ASN 69 19.695 8.541 -1.697 595 HA ASN 69 HA ASN 69 18.987 10.711 0.135 596 HB2 ASN 69 HB2 ASN 69 16.950 9.079 -0.476 597 HB3 ASN 69 HB3 ASN 69 17.829 7.982 0.590 598 HD21 ASN 69 HD21 ASN 69 18.562 10.717 2.249 599 HD22 ASN 69 HD22 ASN 69 17.105 10.977 3.145 600 H VAL 70 HN VAL 70 21.280 9.002 -0.848 601 HA VAL 70 HA VAL 70 22.191 7.276 1.272 602 HB VAL 70 HB VAL 70 23.796 8.704 -0.886 603 HG11 VAL 70 HG11 VAL 70 25.225 7.632 0.757 604 HG12 VAL 70 HG12 VAL 70 24.341 6.096 0.572 605 HG13 VAL 70 HG13 VAL 70 25.302 6.778 -0.755 606 HG21 VAL 70 HG21 VAL 70 23.503 6.591 -2.230 607 HG22 VAL 70 HG22 VAL 70 22.225 6.114 -1.099 608 HG23 VAL 70 HG23 VAL 70 22.067 7.580 -2.098 609 H SER 71 HN SER 71 21.879 10.573 0.980 610 HA SER 71 HA SER 71 22.677 12.488 1.949 611 HB2 SER 71 HB2 SER 71 24.184 10.842 3.981 612 HB3 SER 71 HB3 SER 71 23.590 12.489 4.086 613 HG SER 71 HG SER 71 22.482 10.424 5.035 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -5.535 -8.930 19.687 2 HA2 GLY 1 HA1 GLY 1 -6.542 -7.881 17.102 3 HA3 GLY 1 HA2 GLY 1 -4.907 -8.542 17.328 4 H ALA 2 HN ALA 2 -4.830 -10.583 16.359 5 HA ALA 2 HA ALA 2 -6.389 -12.562 17.763 6 HB1 ALA 2 HB1 ALA 2 -6.884 -13.893 15.743 7 HB2 ALA 2 HB2 ALA 2 -7.733 -12.342 15.693 8 HB3 ALA 2 HB3 ALA 2 -6.259 -12.586 14.719 9 HA PRO 3 HA PRO 3 -2.387 -13.794 18.206 10 HB2 PRO 3 HB2 PRO 3 -2.485 -16.623 18.374 11 HB3 PRO 3 HB3 PRO 3 -2.760 -15.426 19.666 12 HG2 PRO 3 HG2 PRO 3 -4.776 -16.912 18.030 13 HG3 PRO 3 HG3 PRO 3 -4.896 -16.349 19.722 14 HD2 PRO 3 HD2 PRO 3 -6.145 -15.077 17.653 15 HD3 PRO 3 HD3 PRO 3 -5.553 -14.231 19.112 16 H GLY 4 HN GLY 4 -0.520 -14.154 17.246 17 HA2 GLY 4 HA1 GLY 4 -0.082 -15.834 14.949 18 HA3 GLY 4 HA2 GLY 4 -0.050 -14.083 14.615 19 H GLY 5 HN GLY 5 2.332 -14.726 14.198 20 HA2 GLY 5 HA1 GLY 5 3.873 -14.095 16.628 21 HA3 GLY 5 HA2 GLY 5 4.204 -15.682 15.935 22 H LYS 6 HN LYS 6 3.619 -13.897 13.190 23 HA LYS 6 HA LYS 6 5.905 -12.215 13.170 24 HB2 LYS 6 HB2 LYS 6 7.103 -13.327 11.274 25 HB3 LYS 6 HB3 LYS 6 7.309 -14.087 12.830 26 HG2 LYS 6 HG2 LYS 6 5.311 -15.144 10.787 27 HG3 LYS 6 HG3 LYS 6 7.039 -15.520 10.762 28 HD2 LYS 6 HD2 LYS 6 6.817 -16.434 13.120 29 HD3 LYS 6 HD3 LYS 6 5.067 -16.267 12.952 30 HE2 LYS 6 HE2 LYS 6 5.689 -18.548 12.475 31 HE3 LYS 6 HE3 LYS 6 5.077 -17.781 11.007 32 HZ1 LYS 6 HZ1 LYS 6 7.945 -18.206 11.633 33 HZ2 LYS 6 HZ2 LYS 6 7.349 -17.495 10.275 34 HZ3 LYS 6 HZ3 LYS 6 7.028 -19.062 10.550 35 H SER 7 HN SER 7 6.065 -11.027 11.104 36 HA SER 7 HA SER 7 3.452 -10.952 9.674 37 HB2 SER 7 HB2 SER 7 3.755 -9.409 11.668 38 HB3 SER 7 HB3 SER 7 5.111 -8.688 10.810 39 HG SER 7 HG SER 7 3.408 -7.435 10.534 40 H ARG 8 HN ARG 8 3.671 -10.789 7.499 41 HA ARG 8 HA ARG 8 6.260 -11.107 6.280 42 HB2 ARG 8 HB2 ARG 8 5.103 -11.345 4.262 43 HB3 ARG 8 HB3 ARG 8 4.004 -11.997 5.461 44 HG2 ARG 8 HG2 ARG 8 2.992 -9.492 5.343 45 HG3 ARG 8 HG3 ARG 8 3.855 -9.476 3.797 46 HD2 ARG 8 HD2 ARG 8 1.689 -10.225 3.240 47 HD3 ARG 8 HD3 ARG 8 2.656 -11.695 3.274 48 HE ARG 8 HE ARG 8 1.654 -12.381 5.271 49 HH11 ARG 8 HH11 ARG 8 0.138 -9.460 3.997 50 HH12 ARG 8 HH12 ARG 8 -1.295 -9.608 4.962 51 HH21 ARG 8 HH21 ARG 8 -0.123 -12.410 6.799 52 HH22 ARG 8 HH22 ARG 8 -1.512 -11.460 6.387 53 H ARG 9 HN ARG 9 7.096 -9.635 4.554 54 HA ARG 9 HA ARG 9 6.153 -6.856 4.677 55 HB2 ARG 9 HB2 ARG 9 8.210 -5.850 5.245 56 HB3 ARG 9 HB3 ARG 9 7.739 -6.907 6.528 57 HG2 ARG 9 HG2 ARG 9 9.751 -7.881 4.467 58 HG3 ARG 9 HG3 ARG 9 10.228 -6.759 5.739 59 HD2 ARG 9 HD2 ARG 9 9.246 -8.377 7.426 60 HD3 ARG 9 HD3 ARG 9 9.123 -9.566 6.122 61 HE ARG 9 HE ARG 9 11.602 -9.201 5.781 62 HH11 ARG 9 HH11 ARG 9 10.078 -9.228 9.025 63 HH12 ARG 9 HH12 ARG 9 11.587 -9.159 9.855 64 HH21 ARG 9 HH21 ARG 9 13.629 -8.895 7.059 65 HH22 ARG 9 HH22 ARG 9 13.531 -9.163 8.756 66 H ARG 10 HN ARG 10 6.446 -9.140 2.615 67 HA ARG 10 HA ARG 10 7.877 -7.601 0.503 68 HB2 ARG 10 HB2 ARG 10 6.868 -10.481 0.663 69 HB3 ARG 10 HB3 ARG 10 7.419 -9.732 -0.826 70 HG2 ARG 10 HG2 ARG 10 9.236 -9.849 1.609 71 HG3 ARG 10 HG3 ARG 10 9.051 -11.220 0.518 72 HD2 ARG 10 HD2 ARG 10 9.864 -9.932 -1.382 73 HD3 ARG 10 HD3 ARG 10 9.857 -8.440 -0.436 74 HE ARG 10 HE ARG 10 11.889 -8.946 0.406 75 HH11 ARG 10 HH11 ARG 10 10.586 -12.027 -0.793 76 HH12 ARG 10 HH12 ARG 10 11.928 -12.961 -0.231 77 HH21 ARG 10 HH21 ARG 10 13.803 -10.107 0.665 78 HH22 ARG 10 HH22 ARG 10 13.748 -11.843 0.816 79 H ARG 11 HN ARG 11 6.575 -7.592 -1.573 80 HA ARG 11 HA ARG 11 3.940 -6.520 -1.255 81 HB2 ARG 11 HB2 ARG 11 5.595 -5.965 -3.031 82 HB3 ARG 11 HB3 ARG 11 5.475 -7.609 -3.665 83 HG2 ARG 11 HG2 ARG 11 3.163 -7.180 -4.393 84 HG3 ARG 11 HG3 ARG 11 3.192 -5.594 -3.598 85 HD2 ARG 11 HD2 ARG 11 3.548 -5.353 -6.023 86 HD3 ARG 11 HD3 ARG 11 4.985 -4.837 -5.124 87 HE ARG 11 HE ARG 11 5.015 -7.646 -5.969 88 HH11 ARG 11 HH11 ARG 11 5.960 -4.325 -7.119 89 HH12 ARG 11 HH12 ARG 11 7.129 -5.015 -8.169 90 HH21 ARG 11 HH21 ARG 11 6.543 -8.377 -7.232 91 HH22 ARG 11 HH22 ARG 11 7.497 -7.395 -8.297 92 H THR 12 HN THR 12 1.935 -7.497 -2.196 93 HA THR 12 HA THR 12 1.861 -10.451 -1.948 94 HB THR 12 HB THR 12 -0.466 -8.787 -1.148 95 HG1 THR 12 HG1 THR 12 1.100 -7.708 -0.052 96 HG21 THR 12 HG21 THR 12 0.785 -11.252 0.123 97 HG22 THR 12 HG22 THR 12 -0.622 -11.244 -0.972 98 HG23 THR 12 HG23 THR 12 -0.733 -10.481 0.619 99 H ALA 13 HN ALA 13 -0.017 -11.450 -2.935 100 HA ALA 13 HA ALA 13 -0.255 -10.899 -5.679 101 HB1 ALA 13 HB1 ALA 13 -2.022 -12.636 -5.620 102 HB2 ALA 13 HB2 ALA 13 -0.600 -13.133 -4.683 103 HB3 ALA 13 HB3 ALA 13 -2.058 -12.546 -3.850 104 H PHE 14 HN PHE 14 -0.922 -8.806 -6.151 105 HA PHE 14 HA PHE 14 -3.746 -8.074 -5.577 106 HB2 PHE 14 HB2 PHE 14 -1.208 -6.448 -5.930 107 HB3 PHE 14 HB3 PHE 14 -2.764 -5.763 -6.315 108 HD1 PHE 14 HD1 PHE 14 -1.926 -7.959 -3.312 109 HD2 PHE 14 HD2 PHE 14 -3.132 -4.082 -4.755 110 HE1 PHE 14 HE1 PHE 14 -2.129 -7.186 -1.002 111 HE2 PHE 14 HE2 PHE 14 -3.470 -3.366 -2.418 112 HZ PHE 14 HZ PHE 14 -2.876 -4.848 -0.543 113 H THR 15 HN THR 15 -5.016 -7.706 -7.356 114 HA THR 15 HA THR 15 -3.904 -8.128 -10.063 115 HB THR 15 HB THR 15 -6.230 -7.884 -10.856 116 HG1 THR 15 HG1 THR 15 -7.856 -7.603 -9.613 117 HG21 THR 15 HG21 THR 15 -5.055 -10.086 -10.197 118 HG22 THR 15 HG22 THR 15 -6.819 -10.144 -10.167 119 HG23 THR 15 HG23 THR 15 -5.917 -9.976 -8.643 120 H SER 16 HN SER 16 -5.012 -6.569 -11.826 121 HA SER 16 HA SER 16 -3.532 -4.191 -11.482 122 HB2 SER 16 HB2 SER 16 -4.446 -3.628 -13.650 123 HB3 SER 16 HB3 SER 16 -3.850 -5.314 -13.569 124 HG SER 16 HG SER 16 -6.012 -4.729 -14.603 125 H GLU 17 HN GLU 17 -7.022 -4.862 -11.016 126 HA GLU 17 HA GLU 17 -8.005 -2.255 -10.740 127 HB2 GLU 17 HB2 GLU 17 -9.210 -4.475 -10.994 128 HB3 GLU 17 HB3 GLU 17 -8.640 -4.892 -9.355 129 HG2 GLU 17 HG2 GLU 17 -9.774 -2.725 -8.625 130 HG3 GLU 17 HG3 GLU 17 -10.603 -2.745 -10.192 131 H GLN 18 HN GLN 18 -6.539 -4.608 -8.473 132 HA GLN 18 HA GLN 18 -6.919 -2.933 -6.183 133 HB2 GLN 18 HB2 GLN 18 -5.024 -5.300 -6.422 134 HB3 GLN 18 HB3 GLN 18 -5.809 -4.679 -4.962 135 HG2 GLN 18 HG2 GLN 18 -8.053 -5.368 -6.005 136 HG3 GLN 18 HG3 GLN 18 -7.140 -6.063 -7.323 137 HE21 GLN 18 HE21 GLN 18 -8.431 -6.836 -4.175 138 HE22 GLN 18 HE22 GLN 18 -7.562 -8.345 -4.050 139 H LEU 19 HN LEU 19 -4.475 -3.076 -8.677 140 HA LEU 19 HA LEU 19 -2.537 -1.515 -7.087 141 HB2 LEU 19 HB2 LEU 19 -2.734 -2.393 -9.997 142 HB3 LEU 19 HB3 LEU 19 -1.468 -1.321 -9.422 143 HG LEU 19 HG LEU 19 -1.947 -4.094 -8.228 144 HD11 LEU 19 HD11 LEU 19 -1.391 -4.363 -10.560 145 HD12 LEU 19 HD12 LEU 19 0.038 -4.749 -9.595 146 HD13 LEU 19 HD13 LEU 19 -0.055 -3.183 -10.431 147 HD21 LEU 19 HD21 LEU 19 0.420 -2.182 -8.090 148 HD22 LEU 19 HD22 LEU 19 0.378 -3.836 -7.434 149 HD23 LEU 19 HD23 LEU 19 -0.671 -2.590 -6.748 150 H LEU 20 HN LEU 20 -5.435 -0.801 -8.927 151 HA LEU 20 HA LEU 20 -4.456 1.549 -10.194 152 HB2 LEU 20 HB2 LEU 20 -6.865 0.039 -10.241 153 HB3 LEU 20 HB3 LEU 20 -7.375 1.580 -9.598 154 HG LEU 20 HG LEU 20 -7.687 1.648 -11.932 155 HD11 LEU 20 HD11 LEU 20 -5.073 3.131 -11.510 156 HD12 LEU 20 HD12 LEU 20 -6.675 3.710 -10.996 157 HD13 LEU 20 HD13 LEU 20 -6.334 3.464 -12.717 158 HD21 LEU 20 HD21 LEU 20 -4.874 0.518 -12.126 159 HD22 LEU 20 HD22 LEU 20 -5.755 1.143 -13.514 160 HD23 LEU 20 HD23 LEU 20 -6.392 -0.245 -12.600 161 H GLU 21 HN GLU 21 -6.629 1.137 -7.477 162 HA GLU 21 HA GLU 21 -6.886 3.809 -6.670 163 HB2 GLU 21 HB2 GLU 21 -7.058 1.289 -4.966 164 HB3 GLU 21 HB3 GLU 21 -7.862 2.812 -4.625 165 HG2 GLU 21 HG2 GLU 21 -8.421 0.933 -6.970 166 HG3 GLU 21 HG3 GLU 21 -9.425 1.163 -5.547 167 H LEU 22 HN LEU 22 -4.622 1.302 -5.701 168 HA LEU 22 HA LEU 22 -3.239 2.671 -3.597 169 HB2 LEU 22 HB2 LEU 22 -2.701 0.292 -5.385 170 HB3 LEU 22 HB3 LEU 22 -1.327 1.015 -4.590 171 HG LEU 22 HG LEU 22 -2.192 0.631 -2.392 172 HD11 LEU 22 HD11 LEU 22 -4.341 -0.614 -2.019 173 HD12 LEU 22 HD12 LEU 22 -4.721 -0.370 -3.735 174 HD13 LEU 22 HD13 LEU 22 -4.592 1.025 -2.650 175 HD21 LEU 22 HD21 LEU 22 -1.142 -1.223 -3.806 176 HD22 LEU 22 HD22 LEU 22 -2.755 -1.866 -4.006 177 HD23 LEU 22 HD23 LEU 22 -2.051 -1.727 -2.371 178 H ARG 23 HN ARG 23 -2.674 2.627 -7.184 179 HA ARG 23 HA ARG 23 -0.038 3.850 -6.788 180 HB2 ARG 23 HB2 ARG 23 -1.646 2.902 -9.207 181 HB3 ARG 23 HB3 ARG 23 -0.139 3.799 -9.364 182 HG2 ARG 23 HG2 ARG 23 1.079 2.128 -8.048 183 HG3 ARG 23 HG3 ARG 23 -0.382 1.203 -7.792 184 HD2 ARG 23 HD2 ARG 23 0.858 0.142 -9.558 185 HD3 ARG 23 HD3 ARG 23 -0.606 0.863 -10.237 186 HE ARG 23 HE ARG 23 0.687 2.106 -11.616 187 HH11 ARG 23 HH11 ARG 23 2.763 1.424 -8.808 188 HH12 ARG 23 HH12 ARG 23 4.200 2.029 -9.531 189 HH21 ARG 23 HH21 ARG 23 2.562 2.813 -12.609 190 HH22 ARG 23 HH22 ARG 23 4.108 2.702 -11.833 191 H LYS 24 HN LYS 24 -3.392 4.736 -7.565 192 HA LYS 24 HA LYS 24 -2.755 7.420 -8.252 193 HB2 LYS 24 HB2 LYS 24 -5.249 6.108 -7.101 194 HB3 LYS 24 HB3 LYS 24 -5.099 7.864 -7.181 195 HG2 LYS 24 HG2 LYS 24 -4.619 7.643 -9.671 196 HG3 LYS 24 HG3 LYS 24 -4.993 5.921 -9.524 197 HD2 LYS 24 HD2 LYS 24 -6.943 7.115 -10.321 198 HD3 LYS 24 HD3 LYS 24 -7.253 6.500 -8.691 199 HE2 LYS 24 HE2 LYS 24 -6.633 8.842 -7.836 200 HE3 LYS 24 HE3 LYS 24 -6.611 9.374 -9.522 201 HZ1 LYS 24 HZ1 LYS 24 -8.913 8.903 -9.676 202 HZ2 LYS 24 HZ2 LYS 24 -8.694 9.714 -8.259 203 HZ3 LYS 24 HZ3 LYS 24 -8.938 8.104 -8.210 204 H GLU 25 HN GLU 25 -3.831 5.987 -5.140 205 HA GLU 25 HA GLU 25 -3.669 8.386 -3.713 206 HB2 GLU 25 HB2 GLU 25 -3.783 5.456 -2.958 207 HB3 GLU 25 HB3 GLU 25 -3.670 6.691 -1.707 208 HG2 GLU 25 HG2 GLU 25 -5.767 7.036 -3.891 209 HG3 GLU 25 HG3 GLU 25 -6.010 5.869 -2.596 210 H PHE 26 HN PHE 26 -1.020 6.328 -4.583 211 HA PHE 26 HA PHE 26 0.757 7.118 -2.459 212 HB2 PHE 26 HB2 PHE 26 1.031 5.161 -4.029 213 HB3 PHE 26 HB3 PHE 26 1.477 6.299 -5.301 214 HD1 PHE 26 HD2 PHE 26 2.444 4.792 -2.051 215 HD2 PHE 26 HD1 PHE 26 3.706 7.403 -5.249 216 HE1 PHE 26 HE2 PHE 26 4.762 4.670 -1.214 217 HE2 PHE 26 HE1 PHE 26 6.014 7.339 -4.367 218 HZ PHE 26 HZ PHE 26 6.558 5.953 -2.363 219 H HIS 27 HN HIS 27 -0.443 8.730 -5.323 220 HA HIS 27 HA HIS 27 1.465 10.983 -4.983 221 HB2 HIS 27 HB2 HIS 27 -0.623 10.447 -7.127 222 HB3 HIS 27 HB3 HIS 27 0.505 11.791 -7.072 223 HD1 HIS 27 HD1 HIS 27 0.222 9.107 -9.196 224 HD2 HIS 27 HD2 HIS 27 3.256 10.211 -6.471 225 HE1 HIS 27 HE1 HIS 27 2.382 8.079 -10.048 226 H CYS 28 HN CYS 28 -2.086 10.198 -5.032 227 HA CYS 28 HA CYS 28 -2.862 12.876 -4.526 228 HB2 CYS 28 HB2 CYS 28 -4.478 10.410 -3.784 229 HB3 CYS 28 HB3 CYS 28 -5.067 12.032 -4.132 230 HG CYS 28 HG CYS 28 -5.799 10.780 -6.131 231 H LYS 29 HN LYS 29 -1.797 10.407 -2.208 232 HA LYS 29 HA LYS 29 -2.464 12.181 0.077 233 HB2 LYS 29 HB2 LYS 29 -4.202 10.306 -0.568 234 HB3 LYS 29 HB3 LYS 29 -3.042 9.188 0.113 235 HG2 LYS 29 HG2 LYS 29 -3.283 10.316 2.325 236 HG3 LYS 29 HG3 LYS 29 -4.313 11.545 1.579 237 HD2 LYS 29 HD2 LYS 29 -5.510 9.121 0.829 238 HD3 LYS 29 HD3 LYS 29 -5.010 8.815 2.485 239 HE2 LYS 29 HE2 LYS 29 -6.356 10.698 3.268 240 HE3 LYS 29 HE3 LYS 29 -6.583 11.263 1.610 241 HZ1 LYS 29 HZ1 LYS 29 -8.538 10.224 1.987 242 HZ2 LYS 29 HZ2 LYS 29 -7.994 9.055 2.937 243 HZ3 LYS 29 HZ3 LYS 29 -7.750 8.953 1.330 244 H LYS 30 HN LYS 30 -1.427 10.802 2.074 245 HA LYS 30 HA LYS 30 1.322 10.024 1.205 246 HB2 LYS 30 HB2 LYS 30 2.270 11.208 3.080 247 HB3 LYS 30 HB3 LYS 30 1.477 12.291 1.963 248 HG2 LYS 30 HG2 LYS 30 -0.343 11.477 4.148 249 HG3 LYS 30 HG3 LYS 30 1.198 12.137 4.738 250 HD2 LYS 30 HD2 LYS 30 0.749 14.121 3.154 251 HD3 LYS 30 HD3 LYS 30 -0.922 13.549 3.110 252 HE2 LYS 30 HE2 LYS 30 0.683 14.217 5.634 253 HE3 LYS 30 HE3 LYS 30 -0.408 15.336 4.825 254 HZ1 LYS 30 HZ1 LYS 30 -2.258 13.984 5.377 255 HZ2 LYS 30 HZ2 LYS 30 -1.448 14.300 6.706 256 HZ3 LYS 30 HZ3 LYS 30 -1.297 12.798 6.058 257 H TYR 31 HN TYR 31 -1.279 9.479 3.615 258 HA TYR 31 HA TYR 31 -0.405 6.814 3.922 259 HB2 TYR 31 HB2 TYR 31 -0.204 6.890 6.436 260 HB3 TYR 31 HB3 TYR 31 1.158 7.541 5.571 261 HD1 TYR 31 HD2 TYR 31 -1.818 8.440 7.648 262 HD2 TYR 31 HD1 TYR 31 1.824 9.856 5.791 263 HE1 TYR 31 HE2 TYR 31 -1.998 10.557 8.904 264 HE2 TYR 31 HE1 TYR 31 1.658 11.957 7.072 265 HH TYR 31 HH TYR 31 -0.447 12.460 9.666 266 H LEU 32 HN LEU 32 -1.933 5.664 5.383 267 HA LEU 32 HA LEU 32 -4.648 6.866 5.140 268 HB2 LEU 32 HB2 LEU 32 -3.779 3.962 5.501 269 HB3 LEU 32 HB3 LEU 32 -5.395 4.519 5.197 270 HG LEU 32 HG LEU 32 -3.046 4.449 3.332 271 HD11 LEU 32 HD11 LEU 32 -5.927 3.476 3.066 272 HD12 LEU 32 HD12 LEU 32 -4.521 2.462 3.460 273 HD13 LEU 32 HD13 LEU 32 -4.647 3.239 1.876 274 HD21 LEU 32 HD21 LEU 32 -5.607 5.905 2.588 275 HD22 LEU 32 HD22 LEU 32 -4.128 5.657 1.633 276 HD23 LEU 32 HD23 LEU 32 -4.077 6.723 2.997 277 H SER 33 HN SER 33 -5.982 7.110 6.937 278 HA SER 33 HA SER 33 -5.022 6.539 9.629 279 HB2 SER 33 HB2 SER 33 -7.924 6.938 8.911 280 HB3 SER 33 HB3 SER 33 -7.067 7.377 10.364 281 HG SER 33 HG SER 33 -7.768 9.005 8.722 282 H LEU 34 HN LEU 34 -6.966 5.251 10.933 283 HA LEU 34 HA LEU 34 -6.970 2.485 10.286 284 HB2 LEU 34 HB2 LEU 34 -8.817 4.255 11.973 285 HB3 LEU 34 HB3 LEU 34 -8.978 2.522 11.864 286 HG LEU 34 HG LEU 34 -7.929 3.207 13.922 287 HD11 LEU 34 HD11 LEU 34 -6.056 1.662 13.937 288 HD12 LEU 34 HD12 LEU 34 -5.947 1.722 12.165 289 HD13 LEU 34 HD13 LEU 34 -7.373 1.014 12.954 290 HD21 LEU 34 HD21 LEU 34 -6.735 5.246 13.134 291 HD22 LEU 34 HD22 LEU 34 -5.497 4.184 12.382 292 HD23 LEU 34 HD23 LEU 34 -5.756 4.165 14.135 293 H THR 35 HN THR 35 -9.650 4.860 10.136 294 HA THR 35 HA THR 35 -11.469 3.389 8.767 295 HB THR 35 HB THR 35 -11.162 6.398 8.493 296 HG1 THR 35 HG1 THR 35 -12.184 5.270 10.862 297 HG21 THR 35 HG21 THR 35 -13.600 6.372 8.947 298 HG22 THR 35 HG22 THR 35 -13.565 4.600 9.065 299 HG23 THR 35 HG23 THR 35 -13.186 5.396 7.526 300 H GLU 36 HN GLU 36 -8.920 5.487 7.394 301 HA GLU 36 HA GLU 36 -9.812 5.441 4.695 302 HB2 GLU 36 HB2 GLU 36 -7.008 5.644 5.782 303 HB3 GLU 36 HB3 GLU 36 -7.508 6.144 4.179 304 HG2 GLU 36 HG2 GLU 36 -8.180 7.346 6.881 305 HG3 GLU 36 HG3 GLU 36 -7.097 8.025 5.680 306 H ARG 37 HN ARG 37 -7.463 3.352 6.471 307 HA ARG 37 HA ARG 37 -6.935 1.559 4.270 308 HB2 ARG 37 HB2 ARG 37 -6.940 0.969 7.266 309 HB3 ARG 37 HB3 ARG 37 -6.412 -0.156 6.020 310 HG2 ARG 37 HG2 ARG 37 -4.571 1.252 5.364 311 HG3 ARG 37 HG3 ARG 37 -5.088 2.492 6.524 312 HD2 ARG 37 HD2 ARG 37 -4.879 0.675 8.342 313 HD3 ARG 37 HD3 ARG 37 -4.106 -0.334 7.118 314 HE ARG 37 HE ARG 37 -2.175 0.922 7.309 315 HH11 ARG 37 HH11 ARG 37 -4.820 2.873 8.753 316 HH12 ARG 37 HH12 ARG 37 -3.664 3.858 9.619 317 HH21 ARG 37 HH21 ARG 37 -0.772 2.394 8.496 318 HH22 ARG 37 HH22 ARG 37 -1.552 3.615 9.488 319 H SER 38 HN SER 38 -9.657 1.750 6.554 320 HA SER 38 HA SER 38 -10.768 -0.784 6.006 321 HB2 SER 38 HB2 SER 38 -11.390 1.246 7.692 322 HB3 SER 38 HB3 SER 38 -12.612 1.542 6.446 323 HG SER 38 HG SER 38 -12.325 -0.490 8.290 324 H GLN 39 HN GLN 39 -11.374 2.417 4.468 325 HA GLN 39 HA GLN 39 -13.157 1.596 2.446 326 HB2 GLN 39 HB2 GLN 39 -11.014 3.764 2.291 327 HB3 GLN 39 HB3 GLN 39 -12.351 3.574 1.172 328 HG2 GLN 39 HG2 GLN 39 -13.940 4.115 2.986 329 HG3 GLN 39 HG3 GLN 39 -12.584 4.337 4.105 330 HE21 GLN 39 HE21 GLN 39 -10.746 5.902 3.125 331 HE22 GLN 39 HE22 GLN 39 -11.330 7.343 2.386 332 H ILE 40 HN ILE 40 -9.627 2.093 2.170 333 HA ILE 40 HA ILE 40 -9.639 1.207 -0.580 334 HB ILE 40 HB ILE 40 -7.380 1.899 1.327 335 HG12 ILE 40 HG12 ILE 40 -8.839 3.775 1.294 336 HG13 ILE 40 HG13 ILE 40 -7.529 4.172 0.249 337 HG21 ILE 40 HG21 ILE 40 -6.079 2.580 -0.706 338 HG22 ILE 40 HG22 ILE 40 -6.376 0.848 -0.619 339 HG23 ILE 40 HG23 ILE 40 -7.341 1.839 -1.721 340 HD11 ILE 40 HD11 ILE 40 -8.943 3.495 -1.722 341 HD12 ILE 40 HD12 ILE 40 -10.293 3.280 -0.578 342 HD13 ILE 40 HD13 ILE 40 -9.555 4.880 -0.787 343 H ALA 41 HN ALA 41 -9.876 -0.545 2.027 344 HA ALA 41 HA ALA 41 -8.501 -2.971 0.928 345 HB1 ALA 41 HB1 ALA 41 -9.252 -4.055 3.067 346 HB2 ALA 41 HB2 ALA 41 -8.114 -2.716 3.301 347 HB3 ALA 41 HB3 ALA 41 -9.839 -2.477 3.618 348 H HIS 42 HN HIS 42 -11.715 -1.751 2.105 349 HA HIS 42 HA HIS 42 -13.198 -3.982 1.178 350 HB2 HIS 42 HB2 HIS 42 -14.166 -2.456 2.804 351 HB3 HIS 42 HB3 HIS 42 -13.943 -1.073 1.723 352 HD1 HIS 42 HD1 HIS 42 -16.039 -4.323 1.862 353 HD2 HIS 42 HD2 HIS 42 -15.769 -0.634 -0.146 354 HE1 HIS 42 HE1 HIS 42 -18.004 -4.243 0.256 355 H ALA 43 HN ALA 43 -12.407 -0.873 -0.389 356 HA ALA 43 HA ALA 43 -13.993 -1.195 -2.722 357 HB1 ALA 43 HB1 ALA 43 -12.560 0.583 -3.651 358 HB2 ALA 43 HB2 ALA 43 -13.009 0.950 -1.976 359 HB3 ALA 43 HB3 ALA 43 -11.380 0.337 -2.347 360 H LEU 44 HN LEU 44 -11.251 -2.986 -1.793 361 HA LEU 44 HA LEU 44 -10.705 -3.914 -4.571 362 HB2 LEU 44 HB2 LEU 44 -8.751 -3.610 -2.265 363 HB3 LEU 44 HB3 LEU 44 -8.371 -4.148 -3.904 364 HG LEU 44 HG LEU 44 -9.213 -1.339 -3.071 365 HD11 LEU 44 HD11 LEU 44 -6.935 -2.002 -2.408 366 HD12 LEU 44 HD12 LEU 44 -6.936 -0.749 -3.646 367 HD13 LEU 44 HD13 LEU 44 -6.555 -2.434 -4.073 368 HD21 LEU 44 HD21 LEU 44 -8.302 -0.971 -5.572 369 HD22 LEU 44 HD22 LEU 44 -10.000 -1.280 -5.227 370 HD23 LEU 44 HD23 LEU 44 -8.978 -2.605 -5.790 371 H LYS 45 HN LYS 45 -12.368 -4.856 -2.028 372 HA LYS 45 HA LYS 45 -12.801 -6.599 -0.775 373 HB2 LYS 45 HB2 LYS 45 -12.800 -7.473 -3.331 374 HB3 LYS 45 HB3 LYS 45 -11.591 -8.576 -2.666 375 HG2 LYS 45 HG2 LYS 45 -13.398 -8.811 -0.706 376 HG3 LYS 45 HG3 LYS 45 -14.507 -8.215 -1.949 377 HD2 LYS 45 HD2 LYS 45 -13.803 -10.150 -3.385 378 HD3 LYS 45 HD3 LYS 45 -12.735 -10.693 -2.067 379 HE2 LYS 45 HE2 LYS 45 -14.859 -10.610 -0.560 380 HE3 LYS 45 HE3 LYS 45 -15.775 -10.481 -2.067 381 HZ1 LYS 45 HZ1 LYS 45 -15.690 -12.764 -1.617 382 HZ2 LYS 45 HZ2 LYS 45 -14.115 -12.721 -1.131 383 HZ3 LYS 45 HZ3 LYS 45 -14.516 -12.556 -2.722 384 H LEU 46 HN LEU 46 -9.929 -5.597 -0.652 385 HA LEU 46 HA LEU 46 -8.363 -7.930 0.281 386 HB2 LEU 46 HB2 LEU 46 -7.804 -4.986 -0.146 387 HB3 LEU 46 HB3 LEU 46 -6.680 -5.938 0.810 388 HG LEU 46 HG LEU 46 -7.532 -6.916 -1.927 389 HD11 LEU 46 HD11 LEU 46 -6.728 -4.688 -2.373 390 HD12 LEU 46 HD12 LEU 46 -5.432 -5.811 -2.797 391 HD13 LEU 46 HD13 LEU 46 -5.373 -4.888 -1.267 392 HD21 LEU 46 HD21 LEU 46 -5.429 -8.087 -1.928 393 HD22 LEU 46 HD22 LEU 46 -6.205 -8.428 -0.369 394 HD23 LEU 46 HD23 LEU 46 -4.876 -7.247 -0.482 395 H SER 47 HN SER 47 -7.115 -7.505 2.514 396 HA SER 47 HA SER 47 -8.996 -6.556 4.543 397 HB2 SER 47 HB2 SER 47 -6.362 -7.725 5.274 398 HB3 SER 47 HB3 SER 47 -7.965 -7.971 5.954 399 HG SER 47 HG SER 47 -8.441 -9.356 4.174 400 H GLU 48 HN GLU 48 -8.193 -4.912 6.034 401 HA GLU 48 HA GLU 48 -6.827 -2.700 5.169 402 HB2 GLU 48 HB2 GLU 48 -6.735 -3.980 7.919 403 HB3 GLU 48 HB3 GLU 48 -6.199 -2.324 7.578 404 HG2 GLU 48 HG2 GLU 48 -8.432 -1.587 7.156 405 HG3 GLU 48 HG3 GLU 48 -9.051 -3.249 7.167 406 H VAL 49 HN VAL 49 -5.350 -5.469 6.875 407 HA VAL 49 HA VAL 49 -2.754 -4.469 7.062 408 HB VAL 49 HB VAL 49 -3.749 -7.347 6.917 409 HG11 VAL 49 HG11 VAL 49 -1.368 -7.412 6.436 410 HG12 VAL 49 HG12 VAL 49 -1.021 -6.264 7.745 411 HG13 VAL 49 HG13 VAL 49 -1.602 -7.910 8.115 412 HG21 VAL 49 HG21 VAL 49 -4.672 -6.039 8.810 413 HG22 VAL 49 HG22 VAL 49 -3.519 -7.236 9.385 414 HG23 VAL 49 HG23 VAL 49 -3.039 -5.529 9.271 415 H GLN 50 HN GLN 50 -4.282 -6.272 4.341 416 HA GLN 50 HA GLN 50 -1.818 -6.791 3.001 417 HB2 GLN 50 HB2 GLN 50 -4.546 -6.484 1.693 418 HB3 GLN 50 HB3 GLN 50 -3.182 -7.458 1.154 419 HG2 GLN 50 HG2 GLN 50 -5.023 -7.991 3.501 420 HG3 GLN 50 HG3 GLN 50 -4.887 -8.916 2.019 421 HE21 GLN 50 HE21 GLN 50 -2.974 -10.239 1.705 422 HE22 GLN 50 HE22 GLN 50 -2.047 -10.818 3.081 423 H VAL 51 HN VAL 51 -4.226 -4.150 2.787 424 HA VAL 51 HA VAL 51 -3.001 -2.627 0.719 425 HB VAL 51 HB VAL 51 -4.602 -1.665 3.134 426 HG11 VAL 51 HG11 VAL 51 -5.202 0.253 1.698 427 HG12 VAL 51 HG12 VAL 51 -3.469 0.198 2.018 428 HG13 VAL 51 HG13 VAL 51 -4.093 -0.346 0.439 429 HG21 VAL 51 HG21 VAL 51 -6.548 -1.729 1.662 430 HG22 VAL 51 HG22 VAL 51 -5.590 -2.451 0.356 431 HG23 VAL 51 HG23 VAL 51 -5.899 -3.349 1.865 432 H LYS 52 HN LYS 52 -2.640 -2.474 4.315 433 HA LYS 52 HA LYS 52 -0.588 -0.554 4.396 434 HB2 LYS 52 HB2 LYS 52 -1.610 -1.177 6.433 435 HB3 LYS 52 HB3 LYS 52 -1.243 -2.882 6.224 436 HG2 LYS 52 HG2 LYS 52 1.165 -2.466 6.552 437 HG3 LYS 52 HG3 LYS 52 0.851 -0.732 6.665 438 HD2 LYS 52 HD2 LYS 52 1.154 -1.567 8.864 439 HD3 LYS 52 HD3 LYS 52 -0.583 -1.213 8.696 440 HE2 LYS 52 HE2 LYS 52 -0.960 -3.662 8.261 441 HE3 LYS 52 HE3 LYS 52 0.773 -3.944 8.505 442 HZ1 LYS 52 HZ1 LYS 52 0.467 -3.041 10.766 443 HZ2 LYS 52 HZ2 LYS 52 -0.385 -4.408 10.498 444 HZ3 LYS 52 HZ3 LYS 52 -1.161 -2.946 10.495 445 H ILE 53 HN ILE 53 -0.181 -4.128 3.923 446 HA ILE 53 HA ILE 53 2.636 -3.988 3.951 447 HB ILE 53 HB ILE 53 0.976 -6.064 2.501 448 HG12 ILE 53 HG12 ILE 53 0.229 -6.464 4.657 449 HG13 ILE 53 HG13 ILE 53 1.647 -7.432 4.602 450 HG21 ILE 53 HG21 ILE 53 2.967 -7.486 2.816 451 HG22 ILE 53 HG22 ILE 53 3.352 -6.079 1.857 452 HG23 ILE 53 HG23 ILE 53 3.840 -6.121 3.563 453 HD11 ILE 53 HD11 ILE 53 1.579 -6.378 6.731 454 HD12 ILE 53 HD12 ILE 53 2.936 -5.677 5.827 455 HD13 ILE 53 HD13 ILE 53 1.411 -4.771 6.016 456 H TRP 54 HN TRP 54 0.311 -3.479 1.205 457 HA TRP 54 HA TRP 54 2.474 -3.398 -0.755 458 HB2 TRP 54 HB2 TRP 54 -0.120 -3.652 -1.173 459 HB3 TRP 54 HB3 TRP 54 -0.120 -1.900 -1.117 460 HD1 TRP 54 HD1 TRP 54 0.768 -4.828 -3.303 461 HE1 TRP 54 HE1 TRP 54 1.536 -4.029 -5.606 462 HE3 TRP 54 HE3 TRP 54 1.052 0.211 -2.413 463 HZ2 TRP 54 HZ2 TRP 54 2.327 -1.571 -6.874 464 HZ3 TRP 54 HZ3 TRP 54 1.618 1.763 -4.294 465 HH2 TRP 54 HH2 TRP 54 2.346 0.880 -6.457 466 H PHE 55 HN PHE 55 0.598 -0.858 0.976 467 HA PHE 55 HA PHE 55 1.909 1.369 -0.031 468 HB2 PHE 55 HB2 PHE 55 0.529 0.826 2.584 469 HB3 PHE 55 HB3 PHE 55 1.402 2.334 2.404 470 HD1 PHE 55 HD2 PHE 55 -1.134 0.347 0.372 471 HD2 PHE 55 HD1 PHE 55 0.186 4.220 1.784 472 HE1 PHE 55 HE2 PHE 55 -3.171 1.427 -0.560 473 HE2 PHE 55 HE1 PHE 55 -1.838 5.250 0.678 474 HZ PHE 55 HZ PHE 55 -3.462 3.826 -0.445 475 H GLN 56 HN GLN 56 2.898 -0.444 2.935 476 HA GLN 56 HA GLN 56 5.154 1.176 3.435 477 HB2 GLN 56 HB2 GLN 56 6.018 -0.534 4.760 478 HB3 GLN 56 HB3 GLN 56 4.247 -0.446 5.075 479 HG2 GLN 56 HG2 GLN 56 4.013 -2.369 3.542 480 HG3 GLN 56 HG3 GLN 56 5.776 -2.503 3.459 481 HE21 GLN 56 HE21 GLN 56 4.038 -1.896 6.609 482 HE22 GLN 56 HE22 GLN 56 4.220 -3.570 7.084 483 H ASN 57 HN ASN 57 4.835 -1.527 1.173 484 HA ASN 57 HA ASN 57 7.684 -2.049 0.928 485 HB2 ASN 57 HB2 ASN 57 5.120 -2.990 -0.389 486 HB3 ASN 57 HB3 ASN 57 6.597 -3.124 -1.308 487 HD21 ASN 57 HD21 ASN 57 5.324 -3.973 2.055 488 HD22 ASN 57 HD22 ASN 57 6.478 -5.298 2.181 489 H GLU 58 HN GLU 58 5.255 -0.137 -0.648 490 HA GLU 58 HA GLU 58 6.995 0.550 -2.943 491 HB2 GLU 58 HB2 GLU 58 4.403 0.391 -2.966 492 HB3 GLU 58 HB3 GLU 58 4.429 1.991 -2.227 493 HG2 GLU 58 HG2 GLU 58 4.189 2.282 -4.598 494 HG3 GLU 58 HG3 GLU 58 5.807 2.812 -4.167 495 H ARG 59 HN ARG 59 5.921 1.993 0.109 496 HA ARG 59 HA ARG 59 7.329 4.450 -0.088 497 HB2 ARG 59 HB2 ARG 59 5.683 3.071 1.824 498 HB3 ARG 59 HB3 ARG 59 7.114 3.478 2.679 499 HG2 ARG 59 HG2 ARG 59 6.201 5.799 1.096 500 HG3 ARG 59 HG3 ARG 59 4.879 5.130 2.039 501 HD2 ARG 59 HD2 ARG 59 6.121 6.933 3.224 502 HD3 ARG 59 HD3 ARG 59 6.081 5.386 4.094 503 HE ARG 59 HE ARG 59 8.404 5.803 2.362 504 HH11 ARG 59 HH11 ARG 59 7.275 6.273 5.696 505 HH12 ARG 59 HH12 ARG 59 8.736 5.700 6.434 506 HH21 ARG 59 HH21 ARG 59 10.248 4.949 3.270 507 HH22 ARG 59 HH22 ARG 59 10.495 4.908 4.985 508 H ALA 60 HN ALA 60 8.761 1.454 0.063 509 HA ALA 60 HA ALA 60 11.298 2.725 1.107 510 HB1 ALA 60 HB1 ALA 60 10.993 0.655 2.237 511 HB2 ALA 60 HB2 ALA 60 10.549 -0.200 0.731 512 HB3 ALA 60 HB3 ALA 60 12.216 0.369 0.990 513 H LYS 61 HN LYS 61 9.813 1.042 -1.748 514 HA LYS 61 HA LYS 61 12.147 1.077 -3.303 515 HB2 LYS 61 HB2 LYS 61 10.553 -0.441 -3.959 516 HB3 LYS 61 HB3 LYS 61 9.189 0.612 -3.586 517 HG2 LYS 61 HG2 LYS 61 9.390 1.832 -5.502 518 HG3 LYS 61 HG3 LYS 61 10.974 1.163 -5.970 519 HD2 LYS 61 HD2 LYS 61 10.005 -1.003 -6.436 520 HD3 LYS 61 HD3 LYS 61 8.447 -0.532 -5.721 521 HE2 LYS 61 HE2 LYS 61 8.089 1.139 -7.456 522 HE3 LYS 61 HE3 LYS 61 9.664 0.789 -8.185 523 HZ1 LYS 61 HZ1 LYS 61 8.920 -1.331 -8.822 524 HZ2 LYS 61 HZ2 LYS 61 7.747 -0.275 -9.268 525 HZ3 LYS 61 HZ3 LYS 61 7.502 -1.209 -7.944 526 H TRP 62 HN TRP 62 9.349 3.361 -3.221 527 HA TRP 62 HA TRP 62 10.602 5.156 -5.067 528 HB2 TRP 62 HB2 TRP 62 8.104 4.932 -4.228 529 HB3 TRP 62 HB3 TRP 62 8.640 6.066 -2.999 530 HD1 TRP 62 HD1 TRP 62 7.689 5.757 -6.639 531 HE1 TRP 62 HE1 TRP 62 7.529 8.050 -7.745 532 HE3 TRP 62 HE3 TRP 62 9.842 8.573 -2.948 533 HZ2 TRP 62 HZ2 TRP 62 8.250 10.777 -7.117 534 HZ3 TRP 62 HZ3 TRP 62 10.158 11.020 -3.264 535 HH2 TRP 62 HH2 TRP 62 9.337 12.135 -5.316 536 H LYS 63 HN LYS 63 10.984 4.708 -1.577 537 HA LYS 63 HA LYS 63 12.209 7.307 -1.165 538 HB2 LYS 63 HB2 LYS 63 11.750 4.827 0.445 539 HB3 LYS 63 HB3 LYS 63 13.143 5.773 0.910 540 HG2 LYS 63 HG2 LYS 63 10.823 7.542 0.422 541 HG3 LYS 63 HG3 LYS 63 10.418 6.287 1.560 542 HD2 LYS 63 HD2 LYS 63 11.224 8.148 2.770 543 HD3 LYS 63 HD3 LYS 63 12.400 6.822 2.916 544 HE2 LYS 63 HE2 LYS 63 13.973 7.897 1.506 545 HE3 LYS 63 HE3 LYS 63 12.726 8.866 0.700 546 HZ1 LYS 63 HZ1 LYS 63 13.463 9.291 3.515 547 HZ2 LYS 63 HZ2 LYS 63 12.498 10.221 2.567 548 HZ3 LYS 63 HZ3 LYS 63 14.120 10.161 2.295 549 H ARG 64 HN ARG 64 13.503 4.297 -2.513 550 HA ARG 64 HA ARG 64 16.201 5.463 -2.393 551 HB2 ARG 64 HB2 ARG 64 14.968 2.962 -3.557 552 HB3 ARG 64 HB3 ARG 64 16.508 3.556 -4.209 553 HG2 ARG 64 HG2 ARG 64 17.392 3.685 -1.896 554 HG3 ARG 64 HG3 ARG 64 15.931 2.900 -1.297 555 HD2 ARG 64 HD2 ARG 64 16.516 0.830 -2.169 556 HD3 ARG 64 HD3 ARG 64 17.363 1.539 -3.550 557 HE ARG 64 HE ARG 64 18.529 1.834 -0.844 558 HH11 ARG 64 HH11 ARG 64 18.766 0.274 -4.112 559 HH12 ARG 64 HH12 ARG 64 20.409 -0.203 -3.833 560 HH21 ARG 64 HH21 ARG 64 20.867 1.271 -0.709 561 HH22 ARG 64 HH22 ARG 64 21.520 0.332 -2.001 562 H ILE 65 HN ILE 65 13.512 5.582 -4.460 563 HA ILE 65 HA ILE 65 14.929 6.686 -6.766 564 HB ILE 65 HB ILE 65 11.964 6.869 -6.056 565 HG12 ILE 65 HG12 ILE 65 13.437 5.120 -8.069 566 HG13 ILE 65 HG13 ILE 65 12.834 4.576 -6.509 567 HG21 ILE 65 HG21 ILE 65 13.394 7.726 -8.596 568 HG22 ILE 65 HG22 ILE 65 11.634 7.608 -8.398 569 HG23 ILE 65 HG23 ILE 65 12.519 8.772 -7.443 570 HD11 ILE 65 HD11 ILE 65 10.493 5.195 -7.252 571 HD12 ILE 65 HD12 ILE 65 11.163 5.465 -8.871 572 HD13 ILE 65 HD13 ILE 65 11.263 3.860 -8.135 573 H LYS 66 HN LYS 66 12.676 8.340 -4.482 574 HA LYS 66 HA LYS 66 12.425 10.488 -3.990 575 HB2 LYS 66 HB2 LYS 66 14.290 9.383 -2.470 576 HB3 LYS 66 HB3 LYS 66 15.300 10.614 -3.222 577 HG2 LYS 66 HG2 LYS 66 13.108 12.153 -2.501 578 HG3 LYS 66 HG3 LYS 66 12.974 10.850 -1.323 579 HD2 LYS 66 HD2 LYS 66 14.289 12.505 -0.267 580 HD3 LYS 66 HD3 LYS 66 15.445 11.258 -0.806 581 HE2 LYS 66 HE2 LYS 66 15.790 12.670 -2.916 582 HE3 LYS 66 HE3 LYS 66 14.792 13.922 -2.177 583 HZ1 LYS 66 HZ1 LYS 66 17.206 14.251 -1.907 584 HZ2 LYS 66 HZ2 LYS 66 17.313 12.896 -1.019 585 HZ3 LYS 66 HZ3 LYS 66 16.447 14.184 -0.457 586 H ALA 67 HN ALA 67 13.873 10.096 -6.831 587 HA ALA 67 HA ALA 67 15.129 12.532 -7.406 588 HB1 ALA 67 HB1 ALA 67 14.499 12.030 -9.753 589 HB2 ALA 67 HB2 ALA 67 15.194 10.625 -8.930 590 HB3 ALA 67 HB3 ALA 67 13.435 10.727 -9.195 591 H GLY 68 HN GLY 68 11.760 11.611 -7.888 592 HA2 GLY 68 HA1 GLY 68 9.772 12.837 -7.622 593 HA3 GLY 68 HA2 GLY 68 10.720 14.159 -6.932 594 H ASN 69 HN ASN 69 10.561 12.501 -10.090 595 HA ASN 69 HA ASN 69 9.533 14.983 -11.316 596 HB2 ASN 69 HB2 ASN 69 11.999 14.323 -11.978 597 HB3 ASN 69 HB3 ASN 69 11.200 13.079 -12.944 598 HD21 ASN 69 HD21 ASN 69 12.538 16.005 -13.261 599 HD22 ASN 69 HD22 ASN 69 11.487 16.762 -14.452 600 H VAL 70 HN VAL 70 8.095 13.094 -10.004 601 HA VAL 70 HA VAL 70 6.841 11.235 -9.929 602 HB VAL 70 HB VAL 70 5.501 13.121 -10.646 603 HG11 VAL 70 HG11 VAL 70 4.485 13.221 -12.882 604 HG12 VAL 70 HG12 VAL 70 6.209 13.559 -12.916 605 HG13 VAL 70 HG13 VAL 70 5.612 11.979 -13.459 606 HG21 VAL 70 HG21 VAL 70 4.427 10.477 -11.623 607 HG22 VAL 70 HG22 VAL 70 4.495 11.009 -9.927 608 HG23 VAL 70 HG23 VAL 70 3.492 11.894 -11.084 609 H SER 71 HN SER 71 9.210 10.455 -10.883 610 HA SER 71 HA SER 71 8.868 8.624 -13.158 611 HB2 SER 71 HB2 SER 71 10.882 10.224 -12.738 612 HB3 SER 71 HB3 SER 71 11.336 9.111 -11.442 613 HG SER 71 HG SER 71 12.273 8.068 -12.936 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 9.134 -0.170 -15.316 2 HA2 GLY 1 HA1 GLY 1 6.560 0.763 -14.193 3 HA3 GLY 1 HA2 GLY 1 6.747 -0.608 -15.317 4 H ALA 2 HN ALA 2 6.817 -2.596 -14.339 5 HA ALA 2 HA ALA 2 8.487 -2.920 -11.941 6 HB1 ALA 2 HB1 ALA 2 5.588 -3.860 -12.030 7 HB2 ALA 2 HB2 ALA 2 6.771 -4.260 -10.769 8 HB3 ALA 2 HB3 ALA 2 6.245 -2.582 -10.975 9 HA PRO 3 HA PRO 3 8.749 -6.180 -15.287 10 HB2 PRO 3 HB2 PRO 3 11.336 -5.923 -16.077 11 HB3 PRO 3 HB3 PRO 3 10.073 -4.798 -16.655 12 HG2 PRO 3 HG2 PRO 3 12.005 -4.411 -14.350 13 HG3 PRO 3 HG3 PRO 3 11.651 -3.271 -15.692 14 HD2 PRO 3 HD2 PRO 3 10.451 -3.087 -13.227 15 HD3 PRO 3 HD3 PRO 3 9.593 -2.656 -14.733 16 H GLY 4 HN GLY 4 10.377 -5.541 -12.289 17 HA2 GLY 4 HA1 GLY 4 10.988 -8.338 -11.775 18 HA3 GLY 4 HA2 GLY 4 12.405 -7.309 -12.099 19 H GLY 5 HN GLY 5 9.547 -7.711 -10.045 20 HA2 GLY 5 HA1 GLY 5 10.749 -5.999 -7.916 21 HA3 GLY 5 HA2 GLY 5 9.034 -5.993 -8.351 22 H LYS 6 HN LYS 6 11.616 -7.717 -6.737 23 HA LYS 6 HA LYS 6 9.721 -9.897 -5.888 24 HB2 LYS 6 HB2 LYS 6 12.694 -9.867 -6.469 25 HB3 LYS 6 HB3 LYS 6 11.990 -11.092 -5.397 26 HG2 LYS 6 HG2 LYS 6 10.623 -12.012 -7.064 27 HG3 LYS 6 HG3 LYS 6 10.820 -10.640 -8.166 28 HD2 LYS 6 HD2 LYS 6 12.948 -11.272 -8.838 29 HD3 LYS 6 HD3 LYS 6 13.284 -12.154 -7.362 30 HE2 LYS 6 HE2 LYS 6 13.087 -13.602 -9.369 31 HE3 LYS 6 HE3 LYS 6 12.024 -14.060 -8.030 32 HZ1 LYS 6 HZ1 LYS 6 10.181 -13.326 -9.171 33 HZ2 LYS 6 HZ2 LYS 6 11.079 -14.019 -10.362 34 HZ3 LYS 6 HZ3 LYS 6 11.019 -12.393 -10.254 35 H SER 7 HN SER 7 9.000 -8.023 -4.478 36 HA SER 7 HA SER 7 10.483 -8.069 -1.917 37 HB2 SER 7 HB2 SER 7 10.070 -5.608 -1.663 38 HB3 SER 7 HB3 SER 7 11.339 -6.083 -2.799 39 HG SER 7 HG SER 7 8.879 -5.831 -3.996 40 H ARG 8 HN ARG 8 8.786 -9.693 -1.754 41 HA ARG 8 HA ARG 8 6.051 -8.767 -1.150 42 HB2 ARG 8 HB2 ARG 8 6.413 -10.875 -2.291 43 HB3 ARG 8 HB3 ARG 8 7.557 -11.417 -1.057 44 HG2 ARG 8 HG2 ARG 8 5.640 -11.433 0.583 45 HG3 ARG 8 HG3 ARG 8 4.545 -11.127 -0.777 46 HD2 ARG 8 HD2 ARG 8 6.500 -13.478 -0.563 47 HD3 ARG 8 HD3 ARG 8 4.799 -13.540 -0.123 48 HE ARG 8 HE ARG 8 5.628 -12.835 -2.898 49 HH11 ARG 8 HH11 ARG 8 4.250 -15.338 -0.754 50 HH12 ARG 8 HH12 ARG 8 3.379 -16.131 -2.018 51 HH21 ARG 8 HH21 ARG 8 4.565 -14.023 -4.618 52 HH22 ARG 8 HH22 ARG 8 3.792 -15.511 -4.227 53 H ARG 9 HN ARG 9 6.155 -7.439 0.738 54 HA ARG 9 HA ARG 9 7.375 -8.708 3.178 55 HB2 ARG 9 HB2 ARG 9 6.485 -5.842 2.630 56 HB3 ARG 9 HB3 ARG 9 6.581 -6.492 4.253 57 HG2 ARG 9 HG2 ARG 9 8.543 -5.196 3.762 58 HG3 ARG 9 HG3 ARG 9 8.976 -6.885 4.065 59 HD2 ARG 9 HD2 ARG 9 9.363 -7.293 1.739 60 HD3 ARG 9 HD3 ARG 9 8.630 -5.756 1.261 61 HE ARG 9 HE ARG 9 10.642 -4.811 2.763 62 HH11 ARG 9 HH11 ARG 9 11.025 -7.749 0.790 63 HH12 ARG 9 HH12 ARG 9 12.461 -7.210 0.040 64 HH21 ARG 9 HH21 ARG 9 12.553 -4.050 1.697 65 HH22 ARG 9 HH22 ARG 9 13.353 -5.077 0.558 66 H ARG 10 HN ARG 10 6.007 -9.348 4.753 67 HA ARG 10 HA ARG 10 4.119 -10.220 5.689 68 HB2 ARG 10 HB2 ARG 10 4.488 -7.731 6.302 69 HB3 ARG 10 HB3 ARG 10 3.127 -7.373 5.265 70 HG2 ARG 10 HG2 ARG 10 2.318 -7.443 7.475 71 HG3 ARG 10 HG3 ARG 10 1.720 -8.937 6.740 72 HD2 ARG 10 HD2 ARG 10 3.224 -10.282 7.989 73 HD3 ARG 10 HD3 ARG 10 4.366 -8.963 8.207 74 HE ARG 10 HE ARG 10 3.179 -8.066 9.951 75 HH11 ARG 10 HH11 ARG 10 1.512 -11.058 8.890 76 HH12 ARG 10 HH12 ARG 10 0.492 -11.109 10.260 77 HH21 ARG 10 HH21 ARG 10 2.085 -8.306 11.817 78 HH22 ARG 10 HH22 ARG 10 0.841 -9.514 12.044 79 H ARG 11 HN ARG 11 3.671 -11.597 3.760 80 HA ARG 11 HA ARG 11 1.972 -10.670 1.629 81 HB2 ARG 11 HB2 ARG 11 3.650 -12.496 1.408 82 HB3 ARG 11 HB3 ARG 11 2.693 -13.526 2.463 83 HG2 ARG 11 HG2 ARG 11 0.967 -12.520 0.336 84 HG3 ARG 11 HG3 ARG 11 2.448 -13.119 -0.398 85 HD2 ARG 11 HD2 ARG 11 2.152 -15.315 0.593 86 HD3 ARG 11 HD3 ARG 11 0.823 -14.728 1.605 87 HE ARG 11 HE ARG 11 0.481 -14.552 -1.336 88 HH11 ARG 11 HH11 ARG 11 -0.005 -16.761 1.374 89 HH12 ARG 11 HH12 ARG 11 -1.569 -17.293 0.804 90 HH21 ARG 11 HH21 ARG 11 -1.444 -15.443 -2.152 91 HH22 ARG 11 HH22 ARG 11 -2.332 -16.597 -1.193 92 H THR 12 HN THR 12 0.014 -9.876 2.446 93 HA THR 12 HA THR 12 -1.786 -11.810 3.786 94 HB THR 12 HB THR 12 -2.523 -9.052 3.006 95 HG1 THR 12 HG1 THR 12 -1.649 -8.237 4.827 96 HG21 THR 12 HG21 THR 12 -3.236 -10.636 5.535 97 HG22 THR 12 HG22 THR 12 -4.097 -10.934 4.038 98 HG23 THR 12 HG23 THR 12 -4.150 -9.307 4.777 99 H ALA 13 HN ALA 13 -0.873 -12.071 1.031 100 HA ALA 13 HA ALA 13 -1.832 -13.058 -0.875 101 HB1 ALA 13 HB1 ALA 13 -2.797 -14.413 0.994 102 HB2 ALA 13 HB2 ALA 13 -4.136 -13.286 1.154 103 HB3 ALA 13 HB3 ALA 13 -3.979 -14.267 -0.333 104 H PHE 14 HN PHE 14 -1.852 -10.305 -0.903 105 HA PHE 14 HA PHE 14 -4.369 -9.411 -2.005 106 HB2 PHE 14 HB2 PHE 14 -1.628 -8.114 -1.659 107 HB3 PHE 14 HB3 PHE 14 -2.825 -7.433 -2.740 108 HD1 PHE 14 HD1 PHE 14 -3.605 -8.899 0.626 109 HD2 PHE 14 HD2 PHE 14 -3.313 -5.367 -1.763 110 HE1 PHE 14 HE1 PHE 14 -4.487 -7.618 2.511 111 HE2 PHE 14 HE2 PHE 14 -4.347 -4.074 0.110 112 HZ PHE 14 HZ PHE 14 -4.844 -5.152 2.254 113 H THR 15 HN THR 15 -4.839 -9.583 -4.056 114 HA THR 15 HA THR 15 -3.083 -10.987 -5.963 115 HB THR 15 HB THR 15 -4.994 -10.331 -7.573 116 HG1 THR 15 HG1 THR 15 -6.913 -9.717 -6.521 117 HG21 THR 15 HG21 THR 15 -6.640 -11.958 -6.354 118 HG22 THR 15 HG22 THR 15 -5.416 -12.055 -5.068 119 HG23 THR 15 HG23 THR 15 -5.015 -12.606 -6.723 120 H SER 16 HN SER 16 -3.112 -9.876 -8.231 121 HA SER 16 HA SER 16 -1.415 -7.641 -8.166 122 HB2 SER 16 HB2 SER 16 -2.125 -7.738 -10.649 123 HB3 SER 16 HB3 SER 16 -1.177 -9.045 -9.868 124 HG SER 16 HG SER 16 -3.894 -9.123 -10.657 125 H GLU 17 HN GLU 17 -5.032 -7.849 -8.964 126 HA GLU 17 HA GLU 17 -5.367 -5.273 -9.733 127 HB2 GLU 17 HB2 GLU 17 -6.973 -7.338 -9.645 128 HB3 GLU 17 HB3 GLU 17 -7.264 -6.901 -7.954 129 HG2 GLU 17 HG2 GLU 17 -7.644 -4.520 -8.981 130 HG3 GLU 17 HG3 GLU 17 -7.900 -5.375 -10.517 131 H GLN 18 HN GLN 18 -5.526 -6.702 -6.503 132 HA GLN 18 HA GLN 18 -6.155 -4.312 -5.118 133 HB2 GLN 18 HB2 GLN 18 -4.847 -6.819 -3.984 134 HB3 GLN 18 HB3 GLN 18 -5.859 -5.642 -3.114 135 HG2 GLN 18 HG2 GLN 18 -7.826 -6.400 -4.600 136 HG3 GLN 18 HG3 GLN 18 -6.792 -7.509 -5.348 137 HE21 GLN 18 HE21 GLN 18 -9.232 -7.560 -3.193 138 HE22 GLN 18 HE22 GLN 18 -8.703 -8.885 -2.196 139 H LEU 19 HN LEU 19 -3.083 -5.771 -6.107 140 HA LEU 19 HA LEU 19 -1.474 -3.965 -4.464 141 HB2 LEU 19 HB2 LEU 19 -0.894 -5.892 -6.767 142 HB3 LEU 19 HB3 LEU 19 0.351 -4.796 -6.149 143 HG LEU 19 HG LEU 19 -1.133 -6.777 -4.369 144 HD11 LEU 19 HD11 LEU 19 0.090 -7.974 -6.131 145 HD12 LEU 19 HD12 LEU 19 0.864 -8.190 -4.560 146 HD13 LEU 19 HD13 LEU 19 1.570 -7.069 -5.753 147 HD21 LEU 19 HD21 LEU 19 -0.084 -4.937 -3.126 148 HD22 LEU 19 HD22 LEU 19 1.451 -5.207 -3.969 149 HD23 LEU 19 HD23 LEU 19 0.799 -6.443 -2.863 150 H LEU 20 HN LEU 20 -3.178 -3.619 -7.523 151 HA LEU 20 HA LEU 20 -1.181 -1.846 -8.668 152 HB2 LEU 20 HB2 LEU 20 -2.992 -3.434 -9.817 153 HB3 LEU 20 HB3 LEU 20 -4.034 -2.029 -9.668 154 HG LEU 20 HG LEU 20 -1.300 -2.125 -11.042 155 HD11 LEU 20 HD11 LEU 20 -4.038 -1.940 -12.342 156 HD12 LEU 20 HD12 LEU 20 -3.080 -3.428 -12.216 157 HD13 LEU 20 HD13 LEU 20 -2.458 -2.063 -13.155 158 HD21 LEU 20 HD21 LEU 20 -2.025 0.081 -12.050 159 HD22 LEU 20 HD22 LEU 20 -1.674 0.135 -10.330 160 HD23 LEU 20 HD23 LEU 20 -3.370 0.095 -10.881 161 H GLU 21 HN GLU 21 -4.530 -1.477 -7.490 162 HA GLU 21 HA GLU 21 -4.672 1.341 -7.691 163 HB2 GLU 21 HB2 GLU 21 -6.127 -0.444 -5.696 164 HB3 GLU 21 HB3 GLU 21 -6.656 1.141 -6.264 165 HG2 GLU 21 HG2 GLU 21 -6.424 -1.367 -8.004 166 HG3 GLU 21 HG3 GLU 21 -7.896 -0.752 -7.262 167 H LEU 22 HN LEU 22 -3.602 -0.733 -5.084 168 HA LEU 22 HA LEU 22 -3.190 1.183 -3.006 169 HB2 LEU 22 HB2 LEU 22 -2.280 -1.583 -3.701 170 HB3 LEU 22 HB3 LEU 22 -1.156 -0.695 -2.704 171 HG LEU 22 HG LEU 22 -2.672 -0.429 -0.911 172 HD11 LEU 22 HD11 LEU 22 -4.780 0.119 -1.998 173 HD12 LEU 22 HD12 LEU 22 -5.043 -1.341 -1.032 174 HD13 LEU 22 HD13 LEU 22 -4.819 -1.457 -2.787 175 HD21 LEU 22 HD21 LEU 22 -2.816 -2.637 -0.241 176 HD22 LEU 22 HD22 LEU 22 -1.700 -2.817 -1.604 177 HD23 LEU 22 HD23 LEU 22 -3.395 -3.202 -1.829 178 H ARG 23 HN ARG 23 -1.064 0.224 -5.736 179 HA ARG 23 HA ARG 23 1.191 1.708 -4.578 180 HB2 ARG 23 HB2 ARG 23 0.674 0.279 -7.230 181 HB3 ARG 23 HB3 ARG 23 2.153 1.198 -6.932 182 HG2 ARG 23 HG2 ARG 23 2.868 -0.237 -5.186 183 HG3 ARG 23 HG3 ARG 23 1.288 -1.042 -5.060 184 HD2 ARG 23 HD2 ARG 23 1.507 -2.005 -7.275 185 HD3 ARG 23 HD3 ARG 23 2.962 -1.050 -7.588 186 HE ARG 23 HE ARG 23 3.351 -2.684 -5.263 187 HH11 ARG 23 HH11 ARG 23 2.898 -3.044 -8.772 188 HH12 ARG 23 HH12 ARG 23 4.082 -4.269 -8.981 189 HH21 ARG 23 HH21 ARG 23 5.019 -4.123 -5.477 190 HH22 ARG 23 HH22 ARG 23 5.376 -4.930 -7.001 191 H LYS 24 HN LYS 24 -1.376 2.043 -7.003 192 HA LYS 24 HA LYS 24 -0.417 4.384 -8.251 193 HB2 LYS 24 HB2 LYS 24 -3.153 3.128 -7.911 194 HB3 LYS 24 HB3 LYS 24 -3.035 4.768 -8.515 195 HG2 LYS 24 HG2 LYS 24 -1.553 4.005 -10.367 196 HG3 LYS 24 HG3 LYS 24 -1.638 2.365 -9.724 197 HD2 LYS 24 HD2 LYS 24 -3.139 2.417 -11.522 198 HD3 LYS 24 HD3 LYS 24 -4.156 2.432 -10.091 199 HE2 LYS 24 HE2 LYS 24 -3.418 4.858 -11.809 200 HE3 LYS 24 HE3 LYS 24 -4.888 3.897 -11.969 201 HZ1 LYS 24 HZ1 LYS 24 -4.194 5.650 -9.703 202 HZ2 LYS 24 HZ2 LYS 24 -5.420 4.536 -9.646 203 HZ3 LYS 24 HZ3 LYS 24 -5.467 5.755 -10.715 204 H GLU 25 HN GLU 25 -2.604 3.937 -5.464 205 HA GLU 25 HA GLU 25 -2.860 6.699 -4.830 206 HB2 GLU 25 HB2 GLU 25 -3.408 4.035 -3.521 207 HB3 GLU 25 HB3 GLU 25 -3.365 5.429 -2.482 208 HG2 GLU 25 HG2 GLU 25 -5.140 5.077 -4.926 209 HG3 GLU 25 HG3 GLU 25 -5.656 5.028 -3.241 210 H PHE 26 HN PHE 26 -0.484 4.252 -3.799 211 HA PHE 26 HA PHE 26 0.865 5.870 -1.899 212 HB2 PHE 26 HB2 PHE 26 1.043 3.362 -2.342 213 HB3 PHE 26 HB3 PHE 26 2.114 3.745 -3.676 214 HD1 PHE 26 HD2 PHE 26 4.397 4.735 -3.207 215 HD2 PHE 26 HD1 PHE 26 1.740 3.388 -0.081 216 HE1 PHE 26 HE2 PHE 26 6.311 4.575 -1.649 217 HE2 PHE 26 HE1 PHE 26 3.660 3.230 1.480 218 HZ PHE 26 HZ PHE 26 5.966 3.815 0.681 219 H HIS 27 HN HIS 27 0.813 6.177 -5.379 220 HA HIS 27 HA HIS 27 3.274 7.840 -5.413 221 HB2 HIS 27 HB2 HIS 27 1.475 6.705 -7.569 222 HB3 HIS 27 HB3 HIS 27 2.641 7.970 -7.908 223 HD1 HIS 27 HD1 HIS 27 5.350 7.265 -7.211 224 HD2 HIS 27 HD2 HIS 27 2.403 4.326 -7.946 225 HE1 HIS 27 HE1 HIS 27 6.589 5.104 -7.641 226 H CYS 28 HN CYS 28 0.052 8.449 -4.534 227 HA CYS 28 HA CYS 28 0.486 11.274 -5.358 228 HB2 CYS 28 HB2 CYS 28 -2.045 11.470 -5.625 229 HB3 CYS 28 HB3 CYS 28 -1.099 10.779 -6.942 230 HG CYS 28 HG CYS 28 -3.609 9.731 -6.274 231 H LYS 29 HN LYS 29 -0.465 9.131 -2.717 232 HA LYS 29 HA LYS 29 -1.013 11.601 -1.116 233 HB2 LYS 29 HB2 LYS 29 -2.708 9.333 -1.763 234 HB3 LYS 29 HB3 LYS 29 -2.414 9.401 -0.017 235 HG2 LYS 29 HG2 LYS 29 -3.244 11.732 0.023 236 HG3 LYS 29 HG3 LYS 29 -3.586 11.629 -1.723 237 HD2 LYS 29 HD2 LYS 29 -5.090 9.644 -1.263 238 HD3 LYS 29 HD3 LYS 29 -4.746 9.775 0.419 239 HE2 LYS 29 HE2 LYS 29 -6.736 10.899 0.365 240 HE3 LYS 29 HE3 LYS 29 -5.632 12.273 0.147 241 HZ1 LYS 29 HZ1 LYS 29 -6.039 12.048 -2.260 242 HZ2 LYS 29 HZ2 LYS 29 -7.454 12.271 -1.443 243 HZ3 LYS 29 HZ3 LYS 29 -7.021 10.778 -1.979 244 H LYS 30 HN LYS 30 -0.310 11.643 0.925 245 HA LYS 30 HA LYS 30 1.720 9.736 1.873 246 HB2 LYS 30 HB2 LYS 30 1.693 11.371 3.898 247 HB3 LYS 30 HB3 LYS 30 2.388 11.932 2.389 248 HG2 LYS 30 HG2 LYS 30 -0.533 12.446 2.971 249 HG3 LYS 30 HG3 LYS 30 0.687 13.413 3.797 250 HD2 LYS 30 HD2 LYS 30 1.141 13.184 0.861 251 HD3 LYS 30 HD3 LYS 30 -0.346 13.997 1.279 252 HE2 LYS 30 HE2 LYS 30 2.379 14.745 2.435 253 HE3 LYS 30 HE3 LYS 30 1.720 15.431 0.948 254 HZ1 LYS 30 HZ1 LYS 30 1.149 16.929 2.566 255 HZ2 LYS 30 HZ2 LYS 30 0.707 15.817 3.682 256 HZ3 LYS 30 HZ3 LYS 30 -0.253 16.099 2.368 257 H TYR 31 HN TYR 31 -1.728 10.484 2.508 258 HA TYR 31 HA TYR 31 -1.888 8.122 4.138 259 HB2 TYR 31 HB2 TYR 31 -3.196 9.264 5.920 260 HB3 TYR 31 HB3 TYR 31 -1.501 9.714 5.918 261 HD1 TYR 31 HD1 TYR 31 -4.956 10.915 5.077 262 HD2 TYR 31 HD2 TYR 31 -0.803 11.983 5.517 263 HE1 TYR 31 HE1 TYR 31 -5.561 13.306 4.964 264 HE2 TYR 31 HE2 TYR 31 -1.387 14.364 5.378 265 HH TYR 31 HH TYR 31 -3.203 15.870 5.542 266 H LEU 32 HN LEU 32 -3.958 7.231 3.915 267 HA LEU 32 HA LEU 32 -5.925 8.575 2.147 268 HB2 LEU 32 HB2 LEU 32 -5.929 5.888 3.587 269 HB3 LEU 32 HB3 LEU 32 -7.296 6.505 2.684 270 HG LEU 32 HG LEU 32 -4.593 6.145 1.371 271 HD11 LEU 32 HD11 LEU 32 -5.420 3.969 0.516 272 HD12 LEU 32 HD12 LEU 32 -6.807 4.079 1.594 273 HD13 LEU 32 HD13 LEU 32 -5.157 3.959 2.259 274 HD21 LEU 32 HD21 LEU 32 -5.873 5.945 -0.684 275 HD22 LEU 32 HD22 LEU 32 -6.290 7.469 0.103 276 HD23 LEU 32 HD23 LEU 32 -7.401 6.076 0.195 277 H SER 33 HN SER 33 -7.979 9.145 3.039 278 HA SER 33 HA SER 33 -8.086 9.572 5.974 279 HB2 SER 33 HB2 SER 33 -9.469 11.027 3.680 280 HB3 SER 33 HB3 SER 33 -9.750 11.337 5.406 281 HG SER 33 HG SER 33 -8.085 12.668 4.309 282 H LEU 34 HN LEU 34 -10.765 9.637 6.494 283 HA LEU 34 HA LEU 34 -10.943 6.802 6.709 284 HB2 LEU 34 HB2 LEU 34 -12.519 9.180 7.682 285 HB3 LEU 34 HB3 LEU 34 -13.268 7.600 7.783 286 HG LEU 34 HG LEU 34 -12.015 8.428 9.830 287 HD11 LEU 34 HD11 LEU 34 -11.082 6.166 10.363 288 HD12 LEU 34 HD12 LEU 34 -11.269 5.720 8.661 289 HD13 LEU 34 HD13 LEU 34 -12.698 6.093 9.623 290 HD21 LEU 34 HD21 LEU 34 -9.632 8.069 10.017 291 HD22 LEU 34 HD22 LEU 34 -9.936 9.241 8.734 292 HD23 LEU 34 HD23 LEU 34 -9.509 7.575 8.324 293 H THR 35 HN THR 35 -12.816 9.150 4.797 294 HA THR 35 HA THR 35 -14.620 7.250 3.619 295 HB THR 35 HB THR 35 -13.501 9.749 2.302 296 HG1 THR 35 HG1 THR 35 -15.696 10.381 3.580 297 HG21 THR 35 HG21 THR 35 -15.072 8.361 0.959 298 HG22 THR 35 HG22 THR 35 -15.803 9.915 1.375 299 HG23 THR 35 HG23 THR 35 -16.277 8.441 2.258 300 H GLU 36 HN GLU 36 -11.519 8.678 2.481 301 HA GLU 36 HA GLU 36 -11.287 7.384 0.071 302 HB2 GLU 36 HB2 GLU 36 -8.981 8.009 1.937 303 HB3 GLU 36 HB3 GLU 36 -8.908 7.833 0.203 304 HG2 GLU 36 HG2 GLU 36 -10.430 10.045 1.649 305 HG3 GLU 36 HG3 GLU 36 -8.783 10.182 1.050 306 H ARG 37 HN ARG 37 -9.987 6.252 3.198 307 HA ARG 37 HA ARG 37 -8.840 3.855 2.120 308 HB2 ARG 37 HB2 ARG 37 -8.614 5.217 4.453 309 HB3 ARG 37 HB3 ARG 37 -9.750 4.005 4.979 310 HG2 ARG 37 HG2 ARG 37 -8.047 2.253 4.011 311 HG3 ARG 37 HG3 ARG 37 -6.919 3.594 3.947 312 HD2 ARG 37 HD2 ARG 37 -8.138 2.238 6.331 313 HD3 ARG 37 HD3 ARG 37 -6.444 2.600 6.011 314 HE ARG 37 HE ARG 37 -8.503 4.234 7.255 315 HH11 ARG 37 HH11 ARG 37 -5.276 4.434 5.734 316 HH12 ARG 37 HH12 ARG 37 -4.886 5.931 6.518 317 HH21 ARG 37 HH21 ARG 37 -7.952 6.240 8.253 318 HH22 ARG 37 HH22 ARG 37 -6.492 7.042 7.888 319 H SER 38 HN SER 38 -12.058 4.613 3.298 320 HA SER 38 HA SER 38 -13.022 1.872 3.421 321 HB2 SER 38 HB2 SER 38 -14.299 3.718 4.426 322 HB3 SER 38 HB3 SER 38 -14.571 4.424 2.835 323 HG SER 38 HG SER 38 -15.778 2.733 2.215 324 H GLN 39 HN GLN 39 -12.967 4.405 0.834 325 HA GLN 39 HA GLN 39 -14.216 2.845 -1.146 326 HB2 GLN 39 HB2 GLN 39 -12.198 5.098 -1.461 327 HB3 GLN 39 HB3 GLN 39 -13.204 4.465 -2.759 328 HG2 GLN 39 HG2 GLN 39 -15.242 5.207 -1.722 329 HG3 GLN 39 HG3 GLN 39 -14.447 5.558 -0.207 330 HE21 GLN 39 HE21 GLN 39 -12.119 6.985 -1.809 331 HE22 GLN 39 HE22 GLN 39 -12.809 8.565 -1.956 332 H ILE 40 HN ILE 40 -10.698 3.313 -0.569 333 HA ILE 40 HA ILE 40 -9.949 1.398 -2.580 334 HB ILE 40 HB ILE 40 -8.335 2.466 -0.217 335 HG12 ILE 40 HG12 ILE 40 -8.973 4.424 -1.331 336 HG13 ILE 40 HG13 ILE 40 -7.388 4.085 -1.967 337 HG21 ILE 40 HG21 ILE 40 -7.092 0.631 -1.190 338 HG22 ILE 40 HG22 ILE 40 -7.354 1.249 -2.828 339 HG23 ILE 40 HG23 ILE 40 -6.321 2.135 -1.679 340 HD11 ILE 40 HD11 ILE 40 -10.069 3.525 -3.292 341 HD12 ILE 40 HD12 ILE 40 -8.869 4.746 -3.764 342 HD13 ILE 40 HD13 ILE 40 -8.506 3.014 -3.974 343 H ALA 41 HN ALA 41 -11.406 0.791 0.239 344 HA ALA 41 HA ALA 41 -10.173 -1.946 0.534 345 HB1 ALA 41 HB1 ALA 41 -11.382 -2.187 2.619 346 HB2 ALA 41 HB2 ALA 41 -10.408 -0.712 2.653 347 HB3 ALA 41 HB3 ALA 41 -12.162 -0.594 2.408 348 H HIS 42 HN HIS 42 -13.391 -0.393 0.300 349 HA HIS 42 HA HIS 42 -14.787 -2.829 -0.208 350 HB2 HIS 42 HB2 HIS 42 -15.912 -0.872 0.666 351 HB3 HIS 42 HB3 HIS 42 -15.426 0.082 -0.729 352 HD1 HIS 42 HD1 HIS 42 -17.775 -2.965 -0.016 353 HD2 HIS 42 HD2 HIS 42 -16.961 0.109 -2.759 354 HE1 HIS 42 HE1 HIS 42 -19.680 -2.994 -1.710 355 H ALA 43 HN ALA 43 -13.329 -0.376 -2.445 356 HA ALA 43 HA ALA 43 -14.354 -1.532 -4.831 357 HB1 ALA 43 HB1 ALA 43 -13.412 0.770 -4.658 358 HB2 ALA 43 HB2 ALA 43 -11.799 0.062 -4.412 359 HB3 ALA 43 HB3 ALA 43 -12.651 -0.185 -5.946 360 H LEU 44 HN LEU 44 -11.855 -2.610 -2.692 361 HA LEU 44 HA LEU 44 -10.651 -4.349 -4.787 362 HB2 LEU 44 HB2 LEU 44 -9.581 -3.405 -2.092 363 HB3 LEU 44 HB3 LEU 44 -8.810 -4.636 -3.095 364 HG LEU 44 HG LEU 44 -9.220 -1.721 -3.863 365 HD11 LEU 44 HD11 LEU 44 -7.420 -2.138 -2.227 366 HD12 LEU 44 HD12 LEU 44 -6.778 -1.666 -3.801 367 HD13 LEU 44 HD13 LEU 44 -6.717 -3.362 -3.276 368 HD21 LEU 44 HD21 LEU 44 -7.687 -2.490 -5.832 369 HD22 LEU 44 HD22 LEU 44 -9.414 -2.818 -5.922 370 HD23 LEU 44 HD23 LEU 44 -8.296 -4.118 -5.484 371 H LYS 45 HN LYS 45 -13.146 -4.487 -2.675 372 HA LYS 45 HA LYS 45 -14.237 -5.990 -1.592 373 HB2 LYS 45 HB2 LYS 45 -13.287 -7.207 -3.846 374 HB3 LYS 45 HB3 LYS 45 -12.638 -8.310 -2.662 375 HG2 LYS 45 HG2 LYS 45 -15.558 -7.490 -2.505 376 HG3 LYS 45 HG3 LYS 45 -15.036 -8.505 -3.842 377 HD2 LYS 45 HD2 LYS 45 -15.517 -10.222 -2.482 378 HD3 LYS 45 HD3 LYS 45 -13.898 -9.926 -1.851 379 HE2 LYS 45 HE2 LYS 45 -15.044 -8.333 -0.166 380 HE3 LYS 45 HE3 LYS 45 -16.571 -9.067 -0.689 381 HZ1 LYS 45 HZ1 LYS 45 -15.594 -11.242 -0.060 382 HZ2 LYS 45 HZ2 LYS 45 -15.660 -10.208 1.225 383 HZ3 LYS 45 HZ3 LYS 45 -14.240 -10.489 0.462 384 H LEU 46 HN LEU 46 -11.453 -5.116 -0.581 385 HA LEU 46 HA LEU 46 -10.726 -7.281 1.319 386 HB2 LEU 46 HB2 LEU 46 -9.508 -4.621 0.511 387 HB3 LEU 46 HB3 LEU 46 -8.970 -5.424 1.987 388 HG LEU 46 HG LEU 46 -9.017 -6.894 -0.672 389 HD11 LEU 46 HD11 LEU 46 -6.828 -5.142 0.494 390 HD12 LEU 46 HD12 LEU 46 -7.641 -4.948 -1.062 391 HD13 LEU 46 HD13 LEU 46 -6.560 -6.327 -0.809 392 HD21 LEU 46 HD21 LEU 46 -8.739 -8.304 1.364 393 HD22 LEU 46 HD22 LEU 46 -7.347 -7.313 1.858 394 HD23 LEU 46 HD23 LEU 46 -7.269 -8.288 0.385 395 H SER 47 HN SER 47 -10.341 -6.547 3.679 396 HA SER 47 HA SER 47 -12.623 -4.844 4.593 397 HB2 SER 47 HB2 SER 47 -10.540 -6.453 6.150 398 HB3 SER 47 HB3 SER 47 -11.696 -5.381 6.884 399 HG SER 47 HG SER 47 -13.318 -6.817 6.361 400 H GLU 48 HN GLU 48 -12.213 -2.927 5.724 401 HA GLU 48 HA GLU 48 -10.387 -1.069 4.899 402 HB2 GLU 48 HB2 GLU 48 -11.618 -1.488 7.672 403 HB3 GLU 48 HB3 GLU 48 -10.808 -0.024 7.179 404 HG2 GLU 48 HG2 GLU 48 -12.557 -0.146 5.141 405 HG3 GLU 48 HG3 GLU 48 -13.474 -1.118 6.302 406 H VAL 49 HN VAL 49 -10.052 -3.181 7.679 407 HA VAL 49 HA VAL 49 -7.595 -2.316 8.659 408 HB VAL 49 HB VAL 49 -9.019 -5.037 8.718 409 HG11 VAL 49 HG11 VAL 49 -6.770 -4.011 10.483 410 HG12 VAL 49 HG12 VAL 49 -7.820 -5.398 10.875 411 HG13 VAL 49 HG13 VAL 49 -6.811 -5.449 9.436 412 HG21 VAL 49 HG21 VAL 49 -9.119 -2.690 10.659 413 HG22 VAL 49 HG22 VAL 49 -10.437 -3.238 9.611 414 HG23 VAL 49 HG23 VAL 49 -9.873 -4.272 10.915 415 H GLN 50 HN GLN 50 -8.211 -4.824 6.107 416 HA GLN 50 HA GLN 50 -5.555 -5.852 6.112 417 HB2 GLN 50 HB2 GLN 50 -7.436 -5.604 3.713 418 HB3 GLN 50 HB3 GLN 50 -6.155 -6.754 3.900 419 HG2 GLN 50 HG2 GLN 50 -8.845 -6.734 5.124 420 HG3 GLN 50 HG3 GLN 50 -8.057 -8.013 4.220 421 HE21 GLN 50 HE21 GLN 50 -6.021 -9.039 5.452 422 HE22 GLN 50 HE22 GLN 50 -6.197 -9.176 7.188 423 H VAL 51 HN VAL 51 -7.138 -3.200 4.365 424 HA VAL 51 HA VAL 51 -4.950 -2.483 2.681 425 HB VAL 51 HB VAL 51 -7.326 -0.788 3.590 426 HG11 VAL 51 HG11 VAL 51 -5.566 -0.695 1.100 427 HG12 VAL 51 HG12 VAL 51 -7.050 0.264 1.337 428 HG13 VAL 51 HG13 VAL 51 -5.657 0.527 2.392 429 HG21 VAL 51 HG21 VAL 51 -7.147 -2.918 1.421 430 HG22 VAL 51 HG22 VAL 51 -8.321 -2.812 2.764 431 HG23 VAL 51 HG23 VAL 51 -8.363 -1.639 1.449 432 H LYS 52 HN LYS 52 -6.255 -1.035 5.739 433 HA LYS 52 HA LYS 52 -4.300 0.965 5.928 434 HB2 LYS 52 HB2 LYS 52 -5.220 1.523 7.903 435 HB3 LYS 52 HB3 LYS 52 -6.480 0.441 7.340 436 HG2 LYS 52 HG2 LYS 52 -5.376 -1.378 8.739 437 HG3 LYS 52 HG3 LYS 52 -4.363 -0.105 9.415 438 HD2 LYS 52 HD2 LYS 52 -6.206 1.076 10.364 439 HD3 LYS 52 HD3 LYS 52 -7.392 0.232 9.335 440 HE2 LYS 52 HE2 LYS 52 -6.808 -1.879 10.490 441 HE3 LYS 52 HE3 LYS 52 -5.850 -0.956 11.650 442 HZ1 LYS 52 HZ1 LYS 52 -8.150 -1.424 12.389 443 HZ2 LYS 52 HZ2 LYS 52 -8.753 -0.535 11.146 444 HZ3 LYS 52 HZ3 LYS 52 -7.885 0.210 12.309 445 H ILE 53 HN ILE 53 -4.033 -2.446 6.886 446 HA ILE 53 HA ILE 53 -1.455 -2.131 8.102 447 HB ILE 53 HB ILE 53 -2.825 -4.629 7.048 448 HG12 ILE 53 HG12 ILE 53 -2.503 -3.844 9.965 449 HG13 ILE 53 HG13 ILE 53 -3.871 -3.250 9.065 450 HG21 ILE 53 HG21 ILE 53 -0.421 -5.067 7.243 451 HG22 ILE 53 HG22 ILE 53 -0.359 -4.238 8.820 452 HG23 ILE 53 HG23 ILE 53 -1.189 -5.778 8.671 453 HD11 ILE 53 HD11 ILE 53 -4.555 -5.219 10.200 454 HD12 ILE 53 HD12 ILE 53 -4.481 -5.627 8.477 455 HD13 ILE 53 HD13 ILE 53 -3.196 -6.170 9.579 456 H TRP 54 HN TRP 54 -2.511 -2.946 4.711 457 HA TRP 54 HA TRP 54 0.146 -3.591 3.822 458 HB2 TRP 54 HB2 TRP 54 -2.023 -4.028 2.569 459 HB3 TRP 54 HB3 TRP 54 -2.073 -2.320 2.158 460 HD1 TRP 54 HD1 TRP 54 -0.567 -5.584 1.193 461 HE1 TRP 54 HE1 TRP 54 0.900 -5.363 -0.887 462 HE3 TRP 54 HE3 TRP 54 -0.456 -0.460 0.766 463 HZ2 TRP 54 HZ2 TRP 54 2.088 -3.264 -2.455 464 HZ3 TRP 54 HZ3 TRP 54 0.808 0.600 -1.115 465 HH2 TRP 54 HH2 TRP 54 2.105 -0.789 -2.672 466 H PHE 55 HN PHE 55 -1.684 -0.484 3.582 467 HA PHE 55 HA PHE 55 0.448 0.966 2.427 468 HB2 PHE 55 HB2 PHE 55 -1.923 1.821 4.101 469 HB3 PHE 55 HB3 PHE 55 -0.681 2.976 3.635 470 HD1 PHE 55 HD2 PHE 55 -3.302 0.695 2.217 471 HD2 PHE 55 HD1 PHE 55 -0.569 3.967 1.458 472 HE1 PHE 55 HE2 PHE 55 -4.500 1.254 0.113 473 HE2 PHE 55 HE1 PHE 55 -1.788 4.454 -0.654 474 HZ PHE 55 HZ PHE 55 -3.707 3.072 -1.333 475 H GLN 56 HN GLN 56 -0.094 0.283 5.928 476 HA GLN 56 HA GLN 56 1.986 2.160 6.701 477 HB2 GLN 56 HB2 GLN 56 1.860 1.299 8.885 478 HB3 GLN 56 HB3 GLN 56 0.189 1.566 8.283 479 HG2 GLN 56 HG2 GLN 56 0.091 -0.817 7.794 480 HG3 GLN 56 HG3 GLN 56 1.662 -1.045 8.605 481 HE21 GLN 56 HE21 GLN 56 -1.714 0.119 9.028 482 HE22 GLN 56 HE22 GLN 56 -1.887 -0.613 10.606 483 H ASN 57 HN ASN 57 1.895 -1.339 6.026 484 HA ASN 57 HA ASN 57 4.580 -1.872 6.918 485 HB2 ASN 57 HB2 ASN 57 2.467 -3.260 5.211 486 HB3 ASN 57 HB3 ASN 57 4.103 -3.831 5.134 487 HD21 ASN 57 HD21 ASN 57 1.489 -3.080 7.572 488 HD22 ASN 57 HD22 ASN 57 2.069 -4.250 8.729 489 H GLU 58 HN GLU 58 3.087 -0.754 3.969 490 HA GLU 58 HA GLU 58 5.485 -1.114 2.354 491 HB2 GLU 58 HB2 GLU 58 3.008 -1.100 1.579 492 HB3 GLU 58 HB3 GLU 58 3.101 0.646 1.650 493 HG2 GLU 58 HG2 GLU 58 3.590 0.149 -0.611 494 HG3 GLU 58 HG3 GLU 58 5.149 0.494 0.107 495 H ARG 59 HN ARG 59 3.789 1.811 3.818 496 HA ARG 59 HA ARG 59 5.614 3.635 2.782 497 HB2 ARG 59 HB2 ARG 59 4.894 5.138 4.341 498 HB3 ARG 59 HB3 ARG 59 3.465 4.227 3.858 499 HG2 ARG 59 HG2 ARG 59 3.660 2.997 5.980 500 HG3 ARG 59 HG3 ARG 59 5.052 3.975 6.458 501 HD2 ARG 59 HD2 ARG 59 3.581 6.001 6.133 502 HD3 ARG 59 HD3 ARG 59 2.196 4.897 6.063 503 HE ARG 59 HE ARG 59 3.874 4.382 8.362 504 HH11 ARG 59 HH11 ARG 59 1.580 6.884 7.230 505 HH12 ARG 59 HH12 ARG 59 0.748 6.917 8.760 506 HH21 ARG 59 HH21 ARG 59 3.178 4.910 10.414 507 HH22 ARG 59 HH22 ARG 59 1.898 6.036 10.697 508 H ALA 60 HN ALA 60 5.788 1.636 5.573 509 HA ALA 60 HA ALA 60 8.216 2.812 6.678 510 HB1 ALA 60 HB1 ALA 60 6.720 1.494 8.090 511 HB2 ALA 60 HB2 ALA 60 7.075 0.026 7.138 512 HB3 ALA 60 HB3 ALA 60 8.366 0.826 8.078 513 H LYS 61 HN LYS 61 7.637 -0.179 4.683 514 HA LYS 61 HA LYS 61 10.403 -0.780 4.507 515 HB2 LYS 61 HB2 LYS 61 9.953 -2.494 3.171 516 HB3 LYS 61 HB3 LYS 61 8.453 -2.296 4.066 517 HG2 LYS 61 HG2 LYS 61 7.710 -2.827 2.067 518 HG3 LYS 61 HG3 LYS 61 7.580 -1.082 1.947 519 HD2 LYS 61 HD2 LYS 61 9.245 -0.932 0.339 520 HD3 LYS 61 HD3 LYS 61 10.071 -2.418 0.871 521 HE2 LYS 61 HE2 LYS 61 8.303 -3.818 -0.063 522 HE3 LYS 61 HE3 LYS 61 7.327 -2.392 -0.434 523 HZ1 LYS 61 HZ1 LYS 61 8.899 -1.709 -2.033 524 HZ2 LYS 61 HZ2 LYS 61 8.440 -3.187 -2.413 525 HZ3 LYS 61 HZ3 LYS 61 9.936 -2.957 -1.738 526 H TRP 62 HN TRP 62 8.420 1.425 2.622 527 HA TRP 62 HA TRP 62 10.569 1.907 0.761 528 HB2 TRP 62 HB2 TRP 62 8.018 2.150 0.363 529 HB3 TRP 62 HB3 TRP 62 8.194 3.728 1.120 530 HD1 TRP 62 HD1 TRP 62 8.736 1.819 -2.055 531 HE1 TRP 62 HE1 TRP 62 9.803 3.243 -3.895 532 HE3 TRP 62 HE3 TRP 62 9.862 5.946 0.712 533 HZ2 TRP 62 HZ2 TRP 62 11.415 5.687 -4.009 534 HZ3 TRP 62 HZ3 TRP 62 11.229 7.781 -0.273 535 HH2 TRP 62 HH2 TRP 62 12.042 7.634 -2.604 536 H LYS 63 HN LYS 63 9.405 3.597 3.772 537 HA LYS 63 HA LYS 63 10.939 5.966 3.366 538 HB2 LYS 63 HB2 LYS 63 9.821 4.618 5.857 539 HB3 LYS 63 HB3 LYS 63 11.022 5.899 6.011 540 HG2 LYS 63 HG2 LYS 63 9.370 7.195 4.302 541 HG3 LYS 63 HG3 LYS 63 8.199 6.108 5.030 542 HD2 LYS 63 HD2 LYS 63 8.070 7.953 6.450 543 HD3 LYS 63 HD3 LYS 63 9.234 6.925 7.315 544 HE2 LYS 63 HE2 LYS 63 11.028 8.251 5.939 545 HE3 LYS 63 HE3 LYS 63 9.724 9.386 5.583 546 HZ1 LYS 63 HZ1 LYS 63 9.481 9.429 8.152 547 HZ2 LYS 63 HZ2 LYS 63 10.735 10.225 7.466 548 HZ3 LYS 63 HZ3 LYS 63 11.002 8.755 8.146 549 H ARG 64 HN ARG 64 11.985 2.814 4.672 550 HA ARG 64 HA ARG 64 14.607 3.747 5.405 551 HB2 ARG 64 HB2 ARG 64 13.575 0.972 4.631 552 HB3 ARG 64 HB3 ARG 64 15.203 1.304 5.211 553 HG2 ARG 64 HG2 ARG 64 13.985 2.541 7.188 554 HG3 ARG 64 HG3 ARG 64 12.583 1.589 6.707 555 HD2 ARG 64 HD2 ARG 64 13.371 -0.225 7.786 556 HD3 ARG 64 HD3 ARG 64 14.876 -0.172 6.876 557 HE ARG 64 HE ARG 64 14.452 1.598 9.242 558 HH11 ARG 64 HH11 ARG 64 16.414 -1.029 7.737 559 HH12 ARG 64 HH12 ARG 64 17.590 -0.962 9.017 560 HH21 ARG 64 HH21 ARG 64 16.233 1.641 10.845 561 HH22 ARG 64 HH22 ARG 64 17.487 0.472 10.655 562 H ILE 65 HN ILE 65 13.300 3.542 2.302 563 HA ILE 65 HA ILE 65 15.851 3.065 0.943 564 HB ILE 65 HB ILE 65 13.224 3.884 -0.317 565 HG12 ILE 65 HG12 ILE 65 14.360 1.085 0.166 566 HG13 ILE 65 HG13 ILE 65 12.986 1.807 1.004 567 HG21 ILE 65 HG21 ILE 65 14.425 2.701 -2.315 568 HG22 ILE 65 HG22 ILE 65 14.942 4.312 -1.847 569 HG23 ILE 65 HG23 ILE 65 15.899 2.907 -1.347 570 HD11 ILE 65 HD11 ILE 65 12.002 0.411 -0.580 571 HD12 ILE 65 HD12 ILE 65 11.845 2.039 -1.268 572 HD13 ILE 65 HD13 ILE 65 13.104 0.921 -1.869 573 H LYS 66 HN LYS 66 14.221 5.731 2.347 574 HA LYS 66 HA LYS 66 15.651 7.802 0.792 575 HB2 LYS 66 HB2 LYS 66 14.106 7.876 3.399 576 HB3 LYS 66 HB3 LYS 66 14.974 9.260 2.772 577 HG2 LYS 66 HG2 LYS 66 12.872 7.809 1.144 578 HG3 LYS 66 HG3 LYS 66 12.422 9.064 2.292 579 HD2 LYS 66 HD2 LYS 66 14.420 9.573 0.051 580 HD3 LYS 66 HD3 LYS 66 12.679 9.796 -0.152 581 HE2 LYS 66 HE2 LYS 66 12.578 11.487 1.566 582 HE3 LYS 66 HE3 LYS 66 14.224 11.125 2.099 583 HZ1 LYS 66 HZ1 LYS 66 13.456 12.442 -0.433 584 HZ2 LYS 66 HZ2 LYS 66 14.998 11.914 -0.073 585 HZ3 LYS 66 HZ3 LYS 66 14.307 13.071 0.810 586 H ALA 67 HN ALA 67 17.628 6.668 0.826 587 HA ALA 67 HA ALA 67 19.113 5.938 3.086 588 HB1 ALA 67 HB1 ALA 67 20.018 6.814 0.317 589 HB2 ALA 67 HB2 ALA 67 21.074 6.056 1.518 590 HB3 ALA 67 HB3 ALA 67 19.695 5.155 0.855 591 H GLY 68 HN GLY 68 19.267 8.831 1.074 592 HA2 GLY 68 HA1 GLY 68 18.900 10.850 2.724 593 HA3 GLY 68 HA2 GLY 68 20.559 10.458 3.195 594 H ASN 69 HN ASN 69 19.906 10.084 -0.377 595 HA ASN 69 HA ASN 69 21.110 12.667 -0.855 596 HB2 ASN 69 HB2 ASN 69 22.898 10.878 -0.016 597 HB3 ASN 69 HB3 ASN 69 22.775 10.329 -1.696 598 HD21 ASN 69 HD21 ASN 69 23.817 11.612 -3.256 599 HD22 ASN 69 HD22 ASN 69 24.666 13.110 -2.856 600 H VAL 70 HN VAL 70 18.741 10.969 -1.602 601 HA VAL 70 HA VAL 70 18.818 10.220 -4.302 602 HB VAL 70 HB VAL 70 17.094 9.671 -2.631 603 HG11 VAL 70 HG11 VAL 70 15.268 11.159 -2.057 604 HG12 VAL 70 HG12 VAL 70 16.824 11.846 -1.538 605 HG13 VAL 70 HG13 VAL 70 16.014 12.486 -2.979 606 HG21 VAL 70 HG21 VAL 70 15.624 10.994 -4.902 607 HG22 VAL 70 HG22 VAL 70 16.561 9.493 -5.105 608 HG23 VAL 70 HG23 VAL 70 15.192 9.539 -3.990 609 H SER 71 HN SER 71 19.279 13.267 -3.096 610 HA SER 71 HA SER 71 17.968 14.852 -5.206 611 HB2 SER 71 HB2 SER 71 20.229 15.736 -3.354 612 HB3 SER 71 HB3 SER 71 19.253 16.742 -4.441 613 HG SER 71 HG SER 71 18.342 16.881 -2.435 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 25.059 -1.823 -3.092 2 HA2 GLY 1 HA1 GLY 1 23.698 -4.441 -3.166 3 HA3 GLY 1 HA2 GLY 1 24.521 -3.806 -1.727 4 H ALA 2 HN ALA 2 23.465 -2.380 -0.436 5 HA ALA 2 HA ALA 2 21.870 -1.377 0.639 6 HB1 ALA 2 HB1 ALA 2 21.232 -0.040 -1.351 7 HB2 ALA 2 HB2 ALA 2 20.079 -1.324 -1.807 8 HB3 ALA 2 HB3 ALA 2 19.871 -0.442 -0.296 9 HA PRO 3 HA PRO 3 19.972 -5.152 1.821 10 HB2 PRO 3 HB2 PRO 3 18.397 -4.445 3.935 11 HB3 PRO 3 HB3 PRO 3 20.178 -4.286 3.974 12 HG2 PRO 3 HG2 PRO 3 18.138 -2.131 3.317 13 HG3 PRO 3 HG3 PRO 3 19.502 -2.062 4.484 14 HD2 PRO 3 HD2 PRO 3 19.715 -1.076 1.948 15 HD3 PRO 3 HD3 PRO 3 21.091 -1.855 2.776 16 H GLY 4 HN GLY 4 17.726 -6.140 2.328 17 HA2 GLY 4 HA1 GLY 4 15.318 -4.996 1.314 18 HA3 GLY 4 HA2 GLY 4 16.060 -6.035 0.081 19 H GLY 5 HN GLY 5 16.125 -6.433 3.617 20 HA2 GLY 5 HA1 GLY 5 15.133 -9.235 3.373 21 HA3 GLY 5 HA2 GLY 5 16.295 -8.642 4.576 22 H LYS 6 HN LYS 6 14.705 -9.644 6.064 23 HA LYS 6 HA LYS 6 13.013 -9.647 7.542 24 HB2 LYS 6 HB2 LYS 6 12.915 -7.595 8.936 25 HB3 LYS 6 HB3 LYS 6 14.507 -8.272 8.658 26 HG2 LYS 6 HG2 LYS 6 15.017 -6.515 6.997 27 HG3 LYS 6 HG3 LYS 6 13.388 -5.848 7.206 28 HD2 LYS 6 HD2 LYS 6 14.973 -4.500 8.366 29 HD3 LYS 6 HD3 LYS 6 13.960 -5.310 9.573 30 HE2 LYS 6 HE2 LYS 6 15.743 -6.838 10.142 31 HE3 LYS 6 HE3 LYS 6 16.713 -6.341 8.745 32 HZ1 LYS 6 HZ1 LYS 6 17.173 -4.303 9.725 33 HZ2 LYS 6 HZ2 LYS 6 17.336 -5.364 10.977 34 HZ3 LYS 6 HZ3 LYS 6 15.993 -4.427 10.861 35 H SER 7 HN SER 7 11.987 -9.432 4.902 36 HA SER 7 HA SER 7 9.303 -8.369 5.407 37 HB2 SER 7 HB2 SER 7 9.426 -7.029 3.253 38 HB3 SER 7 HB3 SER 7 10.383 -6.369 4.589 39 HG SER 7 HG SER 7 12.216 -7.002 3.661 40 H ARG 8 HN ARG 8 7.901 -8.822 3.401 41 HA ARG 8 HA ARG 8 8.874 -11.036 1.684 42 HB2 ARG 8 HB2 ARG 8 6.099 -10.550 2.840 43 HB3 ARG 8 HB3 ARG 8 6.366 -11.578 1.442 44 HG2 ARG 8 HG2 ARG 8 7.260 -13.296 2.629 45 HG3 ARG 8 HG3 ARG 8 8.059 -12.252 3.806 46 HD2 ARG 8 HD2 ARG 8 6.335 -12.236 5.248 47 HD3 ARG 8 HD3 ARG 8 5.119 -12.122 3.978 48 HE ARG 8 HE ARG 8 6.154 -14.734 3.867 49 HH11 ARG 8 HH11 ARG 8 4.721 -12.931 6.516 50 HH12 ARG 8 HH12 ARG 8 3.328 -13.945 6.713 51 HH21 ARG 8 HH21 ARG 8 4.229 -16.136 4.059 52 HH22 ARG 8 HH22 ARG 8 3.243 -15.988 5.462 53 H ARG 9 HN ARG 9 7.531 -10.846 -0.478 54 HA ARG 9 HA ARG 9 7.489 -7.949 -1.167 55 HB2 ARG 9 HB2 ARG 9 8.746 -10.274 -2.616 56 HB3 ARG 9 HB3 ARG 9 8.379 -8.737 -3.415 57 HG2 ARG 9 HG2 ARG 9 9.742 -7.481 -1.846 58 HG3 ARG 9 HG3 ARG 9 10.042 -8.902 -0.849 59 HD2 ARG 9 HD2 ARG 9 10.949 -8.644 -3.730 60 HD3 ARG 9 HD3 ARG 9 11.940 -8.224 -2.323 61 HE ARG 9 HE ARG 9 11.057 -10.816 -1.833 62 HH11 ARG 9 HH11 ARG 9 13.179 -9.188 -4.169 63 HH12 ARG 9 HH12 ARG 9 13.964 -10.635 -4.685 64 HH21 ARG 9 HH21 ARG 9 12.282 -12.639 -2.232 65 HH22 ARG 9 HH22 ARG 9 13.624 -12.604 -3.346 66 H ARG 10 HN ARG 10 5.433 -7.522 -1.100 67 HA ARG 10 HA ARG 10 3.215 -7.558 -1.397 68 HB2 ARG 10 HB2 ARG 10 4.162 -6.584 -3.541 69 HB3 ARG 10 HB3 ARG 10 3.883 -8.153 -4.282 70 HG2 ARG 10 HG2 ARG 10 1.423 -7.731 -3.102 71 HG3 ARG 10 HG3 ARG 10 1.912 -6.058 -3.353 72 HD2 ARG 10 HD2 ARG 10 1.970 -8.208 -5.514 73 HD3 ARG 10 HD3 ARG 10 0.542 -7.235 -5.178 74 HE ARG 10 HE ARG 10 2.336 -5.269 -5.558 75 HH11 ARG 10 HH11 ARG 10 1.810 -8.213 -7.486 76 HH12 ARG 10 HH12 ARG 10 2.172 -7.463 -8.996 77 HH21 ARG 10 HH21 ARG 10 2.794 -4.265 -7.522 78 HH22 ARG 10 HH22 ARG 10 2.921 -5.217 -8.992 79 H ARG 11 HN ARG 11 3.032 -9.528 -0.041 80 HA ARG 11 HA ARG 11 1.981 -11.815 -1.651 81 HB2 ARG 11 HB2 ARG 11 4.389 -11.916 -0.652 82 HB3 ARG 11 HB3 ARG 11 3.604 -12.181 0.889 83 HG2 ARG 11 HG2 ARG 11 3.398 -13.856 -1.654 84 HG3 ARG 11 HG3 ARG 11 4.307 -14.228 -0.206 85 HD2 ARG 11 HD2 ARG 11 2.492 -15.622 0.047 86 HD3 ARG 11 HD3 ARG 11 2.074 -14.270 1.064 87 HE ARG 11 HE ARG 11 0.152 -14.150 -0.129 88 HH11 ARG 11 HH11 ARG 11 2.526 -15.745 -2.283 89 HH12 ARG 11 HH12 ARG 11 1.531 -15.608 -3.691 90 HH21 ARG 11 HH21 ARG 11 -1.313 -14.371 -1.973 91 HH22 ARG 11 HH22 ARG 11 -0.685 -15.004 -3.443 92 H THR 12 HN THR 12 -0.129 -10.634 -1.229 93 HA THR 12 HA THR 12 -1.284 -12.040 1.051 94 HB THR 12 HB THR 12 -2.398 -9.322 0.708 95 HG1 THR 12 HG1 THR 12 -0.967 -8.241 1.691 96 HG21 THR 12 HG21 THR 12 -1.752 -10.987 3.184 97 HG22 THR 12 HG22 THR 12 -3.330 -10.896 2.381 98 HG23 THR 12 HG23 THR 12 -2.664 -9.468 3.168 99 H ALA 13 HN ALA 13 -3.837 -11.856 0.803 100 HA ALA 13 HA ALA 13 -4.518 -12.535 -1.946 101 HB1 ALA 13 HB1 ALA 13 -6.196 -12.355 0.573 102 HB2 ALA 13 HB2 ALA 13 -6.721 -13.039 -0.972 103 HB3 ALA 13 HB3 ALA 13 -5.428 -13.834 -0.049 104 H PHE 14 HN PHE 14 -3.920 -10.433 -2.820 105 HA PHE 14 HA PHE 14 -6.359 -8.770 -3.019 106 HB2 PHE 14 HB2 PHE 14 -3.481 -7.786 -3.101 107 HB3 PHE 14 HB3 PHE 14 -4.813 -6.964 -3.879 108 HD1 PHE 14 HD1 PHE 14 -4.583 -8.399 -0.365 109 HD2 PHE 14 HD2 PHE 14 -5.183 -4.950 -2.872 110 HE1 PHE 14 HE1 PHE 14 -4.965 -7.053 1.621 111 HE2 PHE 14 HE2 PHE 14 -5.659 -3.609 -0.849 112 HZ PHE 14 HZ PHE 14 -5.489 -4.607 1.386 113 H THR 15 HN THR 15 -7.125 -9.132 -5.147 114 HA THR 15 HA THR 15 -5.417 -10.629 -6.991 115 HB THR 15 HB THR 15 -7.389 -10.348 -8.495 116 HG1 THR 15 HG1 THR 15 -9.342 -9.723 -7.268 117 HG21 THR 15 HG21 THR 15 -8.113 -11.405 -5.747 118 HG22 THR 15 HG22 THR 15 -7.182 -12.315 -6.944 119 HG23 THR 15 HG23 THR 15 -8.858 -11.876 -7.280 120 H SER 16 HN SER 16 -5.143 -9.681 -9.339 121 HA SER 16 HA SER 16 -3.484 -7.426 -9.145 122 HB2 SER 16 HB2 SER 16 -4.917 -8.522 -11.558 123 HB3 SER 16 HB3 SER 16 -3.471 -7.474 -11.551 124 HG SER 16 HG SER 16 -2.242 -9.140 -10.972 125 H GLU 17 HN GLU 17 -6.979 -7.604 -9.905 126 HA GLU 17 HA GLU 17 -7.450 -5.023 -10.822 127 HB2 GLU 17 HB2 GLU 17 -8.898 -7.101 -10.740 128 HB3 GLU 17 HB3 GLU 17 -9.154 -6.810 -9.013 129 HG2 GLU 17 HG2 GLU 17 -9.672 -4.501 -10.849 130 HG3 GLU 17 HG3 GLU 17 -10.700 -5.909 -11.099 131 H GLN 18 HN GLN 18 -7.562 -6.342 -7.496 132 HA GLN 18 HA GLN 18 -8.196 -3.854 -6.249 133 HB2 GLN 18 HB2 GLN 18 -6.900 -6.249 -4.907 134 HB3 GLN 18 HB3 GLN 18 -7.994 -5.060 -4.197 135 HG2 GLN 18 HG2 GLN 18 -9.829 -5.983 -5.738 136 HG3 GLN 18 HG3 GLN 18 -8.679 -7.169 -6.274 137 HE21 GLN 18 HE21 GLN 18 -11.055 -6.616 -3.634 138 HE22 GLN 18 HE22 GLN 18 -10.609 -8.093 -2.900 139 H LEU 19 HN LEU 19 -5.196 -5.422 -7.236 140 HA LEU 19 HA LEU 19 -3.449 -3.697 -5.618 141 HB2 LEU 19 HB2 LEU 19 -3.083 -5.655 -7.914 142 HB3 LEU 19 HB3 LEU 19 -1.747 -4.742 -7.261 143 HG LEU 19 HG LEU 19 -3.491 -6.553 -5.545 144 HD11 LEU 19 HD11 LEU 19 -0.937 -7.210 -7.040 145 HD12 LEU 19 HD12 LEU 19 -2.563 -7.939 -7.206 146 HD13 LEU 19 HD13 LEU 19 -1.643 -8.211 -5.727 147 HD21 LEU 19 HD21 LEU 19 -2.247 -4.929 -4.249 148 HD22 LEU 19 HD22 LEU 19 -0.748 -5.318 -5.115 149 HD23 LEU 19 HD23 LEU 19 -1.519 -6.522 -4.038 150 H LEU 20 HN LEU 20 -5.311 -3.133 -8.355 151 HA LEU 20 HA LEU 20 -3.239 -1.756 -9.946 152 HB2 LEU 20 HB2 LEU 20 -5.524 -3.120 -10.685 153 HB3 LEU 20 HB3 LEU 20 -6.176 -1.510 -10.630 154 HG LEU 20 HG LEU 20 -5.562 -1.866 -12.840 155 HD11 LEU 20 HD11 LEU 20 -3.801 -0.289 -13.391 156 HD12 LEU 20 HD12 LEU 20 -3.145 -0.353 -11.750 157 HD13 LEU 20 HD13 LEU 20 -4.749 0.344 -12.027 158 HD21 LEU 20 HD21 LEU 20 -2.765 -2.754 -12.094 159 HD22 LEU 20 HD22 LEU 20 -3.628 -2.906 -13.656 160 HD23 LEU 20 HD23 LEU 20 -4.125 -3.879 -12.264 161 H GLU 21 HN GLU 21 -6.319 -1.108 -8.411 162 HA GLU 21 HA GLU 21 -6.439 1.665 -8.881 163 HB2 GLU 21 HB2 GLU 21 -8.639 1.303 -8.017 164 HB3 GLU 21 HB3 GLU 21 -8.163 -0.276 -8.522 165 HG2 GLU 21 HG2 GLU 21 -9.065 -0.631 -6.509 166 HG3 GLU 21 HG3 GLU 21 -7.372 -0.603 -6.049 167 H LEU 22 HN LEU 22 -5.472 -0.259 -6.073 168 HA LEU 22 HA LEU 22 -4.878 1.655 -4.163 169 HB2 LEU 22 HB2 LEU 22 -4.023 -1.109 -4.852 170 HB3 LEU 22 HB3 LEU 22 -2.766 -0.226 -4.025 171 HG LEU 22 HG LEU 22 -4.035 0.050 -2.042 172 HD11 LEU 22 HD11 LEU 22 -6.431 -0.996 -3.589 173 HD12 LEU 22 HD12 LEU 22 -6.268 0.588 -2.837 174 HD13 LEU 22 HD13 LEU 22 -6.384 -0.846 -1.818 175 HD21 LEU 22 HD21 LEU 22 -4.164 -2.173 -1.371 176 HD22 LEU 22 HD22 LEU 22 -3.113 -2.293 -2.784 177 HD23 LEU 22 HD23 LEU 22 -4.813 -2.723 -2.941 178 H ARG 23 HN ARG 23 -3.158 1.045 -7.167 179 HA ARG 23 HA ARG 23 -0.704 2.404 -6.217 180 HB2 ARG 23 HB2 ARG 23 -1.362 0.971 -8.815 181 HB3 ARG 23 HB3 ARG 23 0.183 1.753 -8.462 182 HG2 ARG 23 HG2 ARG 23 0.681 0.235 -6.683 183 HG3 ARG 23 HG3 ARG 23 -0.953 -0.413 -6.653 184 HD2 ARG 23 HD2 ARG 23 0.342 -2.060 -7.740 185 HD3 ARG 23 HD3 ARG 23 -0.615 -1.269 -8.995 186 HE ARG 23 HE ARG 23 2.019 -0.069 -8.669 187 HH11 ARG 23 HH11 ARG 23 0.279 -2.739 -10.293 188 HH12 ARG 23 HH12 ARG 23 1.365 -2.762 -11.642 189 HH21 ARG 23 HH21 ARG 23 3.476 -0.234 -10.253 190 HH22 ARG 23 HH22 ARG 23 3.341 -1.350 -11.585 191 H LYS 24 HN LYS 24 -3.736 3.236 -7.562 192 HA LYS 24 HA LYS 24 -2.772 5.541 -9.070 193 HB2 LYS 24 HB2 LYS 24 -5.550 5.044 -7.894 194 HB3 LYS 24 HB3 LYS 24 -5.108 6.243 -9.081 195 HG2 LYS 24 HG2 LYS 24 -4.882 3.251 -9.646 196 HG3 LYS 24 HG3 LYS 24 -6.365 4.174 -9.807 197 HD2 LYS 24 HD2 LYS 24 -5.049 5.769 -11.356 198 HD3 LYS 24 HD3 LYS 24 -3.806 4.512 -11.376 199 HE2 LYS 24 HE2 LYS 24 -5.242 4.247 -13.316 200 HE3 LYS 24 HE3 LYS 24 -5.526 2.885 -12.221 201 HZ1 LYS 24 HZ1 LYS 24 -7.555 3.904 -11.510 202 HZ2 LYS 24 HZ2 LYS 24 -7.557 3.924 -13.157 203 HZ3 LYS 24 HZ3 LYS 24 -7.237 5.296 -12.334 204 H GLU 25 HN GLU 25 -4.633 5.023 -6.030 205 HA GLU 25 HA GLU 25 -4.298 7.593 -4.987 206 HB2 GLU 25 HB2 GLU 25 -4.850 4.905 -3.737 207 HB3 GLU 25 HB3 GLU 25 -4.683 6.344 -2.733 208 HG2 GLU 25 HG2 GLU 25 -6.651 6.111 -5.048 209 HG3 GLU 25 HG3 GLU 25 -7.055 5.790 -3.366 210 H PHE 26 HN PHE 26 -2.033 4.941 -4.973 211 HA PHE 26 HA PHE 26 -0.252 5.672 -2.974 212 HB2 PHE 26 HB2 PHE 26 -0.172 3.655 -4.501 213 HB3 PHE 26 HB3 PHE 26 0.570 4.679 -5.728 214 HD1 PHE 26 HD2 PHE 26 0.853 3.529 -2.195 215 HD2 PHE 26 HD1 PHE 26 2.989 5.013 -5.642 216 HE1 PHE 26 HE2 PHE 26 2.963 3.186 -1.025 217 HE2 PHE 26 HE1 PHE 26 5.155 4.583 -4.469 218 HZ PHE 26 HZ PHE 26 5.134 3.624 -2.173 219 H HIS 27 HN HIS 27 -0.643 7.266 -6.167 220 HA HIS 27 HA HIS 27 1.921 8.663 -5.739 221 HB2 HIS 27 HB2 HIS 27 1.838 9.217 -8.077 222 HB3 HIS 27 HB3 HIS 27 1.672 7.497 -7.790 223 HD1 HIS 27 HD1 HIS 27 -0.831 10.412 -8.574 224 HD2 HIS 27 HD2 HIS 27 0.024 6.364 -9.364 225 HE1 HIS 27 HE1 HIS 27 -2.575 9.621 -10.243 226 H CYS 28 HN CYS 28 -1.083 9.357 -4.672 227 HA CYS 28 HA CYS 28 -0.702 12.300 -5.039 228 HB2 CYS 28 HB2 CYS 28 -3.308 12.329 -5.057 229 HB3 CYS 28 HB3 CYS 28 -2.430 11.923 -6.538 230 HG CYS 28 HG CYS 28 -4.661 10.410 -6.135 231 H LYS 29 HN LYS 29 -2.476 9.839 -3.086 232 HA LYS 29 HA LYS 29 -3.159 11.538 -0.890 233 HB2 LYS 29 HB2 LYS 29 -4.312 9.578 -1.066 234 HB3 LYS 29 HB3 LYS 29 -2.924 8.613 -1.418 235 HG2 LYS 29 HG2 LYS 29 -3.384 9.754 1.308 236 HG3 LYS 29 HG3 LYS 29 -4.075 8.261 0.761 237 HD2 LYS 29 HD2 LYS 29 -1.109 8.827 1.121 238 HD3 LYS 29 HD3 LYS 29 -2.080 7.745 2.063 239 HE2 LYS 29 HE2 LYS 29 -2.230 6.193 0.270 240 HE3 LYS 29 HE3 LYS 29 -1.579 7.350 -0.909 241 HZ1 LYS 29 HZ1 LYS 29 0.097 5.781 -0.199 242 HZ2 LYS 29 HZ2 LYS 29 0.021 6.276 1.355 243 HZ3 LYS 29 HZ3 LYS 29 0.528 7.287 0.128 244 H LYS 30 HN LYS 30 -2.067 12.102 0.970 245 HA LYS 30 HA LYS 30 0.750 11.142 1.283 246 HB2 LYS 30 HB2 LYS 30 0.857 12.764 3.183 247 HB3 LYS 30 HB3 LYS 30 0.839 13.454 1.560 248 HG2 LYS 30 HG2 LYS 30 -1.372 14.248 1.771 249 HG3 LYS 30 HG3 LYS 30 -1.704 13.221 3.190 250 HD2 LYS 30 HD2 LYS 30 -0.126 14.498 4.542 251 HD3 LYS 30 HD3 LYS 30 0.335 15.484 3.149 252 HE2 LYS 30 HE2 LYS 30 -1.910 16.429 2.984 253 HE3 LYS 30 HE3 LYS 30 -2.500 15.347 4.255 254 HZ1 LYS 30 HZ1 LYS 30 -1.995 17.533 5.128 255 HZ2 LYS 30 HZ2 LYS 30 -0.450 17.446 4.604 256 HZ3 LYS 30 HZ3 LYS 30 -0.993 16.416 5.795 257 H TYR 31 HN TYR 31 -2.494 11.134 2.844 258 HA TYR 31 HA TYR 31 -1.767 8.694 4.281 259 HB2 TYR 31 HB2 TYR 31 -2.444 11.318 5.659 260 HB3 TYR 31 HB3 TYR 31 -2.848 9.761 6.398 261 HD1 TYR 31 HD2 TYR 31 -1.089 8.130 7.014 262 HD2 TYR 31 HD1 TYR 31 -0.148 12.115 5.712 263 HE1 TYR 31 HE2 TYR 31 1.168 7.885 7.986 264 HE2 TYR 31 HE1 TYR 31 2.139 11.902 6.654 265 HH TYR 31 HH TYR 31 3.717 10.347 7.545 266 H LEU 32 HN LEU 32 -3.637 7.449 4.642 267 HA LEU 32 HA LEU 32 -6.160 8.401 3.431 268 HB2 LEU 32 HB2 LEU 32 -5.327 5.734 4.681 269 HB3 LEU 32 HB3 LEU 32 -7.023 6.178 4.472 270 HG LEU 32 HG LEU 32 -6.460 6.700 2.007 271 HD11 LEU 32 HD11 LEU 32 -4.044 6.630 2.272 272 HD12 LEU 32 HD12 LEU 32 -4.596 5.439 1.106 273 HD13 LEU 32 HD13 LEU 32 -4.096 4.931 2.750 274 HD21 LEU 32 HD21 LEU 32 -6.627 3.892 3.151 275 HD22 LEU 32 HD22 LEU 32 -6.566 4.208 1.390 276 HD23 LEU 32 HD23 LEU 32 -7.867 4.869 2.349 277 H SER 33 HN SER 33 -7.414 9.674 4.575 278 HA SER 33 HA SER 33 -7.330 9.800 7.472 279 HB2 SER 33 HB2 SER 33 -9.304 11.008 5.494 280 HB3 SER 33 HB3 SER 33 -9.107 11.452 7.206 281 HG SER 33 HG SER 33 -7.969 12.721 5.488 282 H LEU 34 HN LEU 34 -9.786 9.756 8.458 283 HA LEU 34 HA LEU 34 -10.107 7.001 8.923 284 HB2 LEU 34 HB2 LEU 34 -11.737 9.469 9.590 285 HB3 LEU 34 HB3 LEU 34 -12.323 7.878 10.011 286 HG LEU 34 HG LEU 34 -11.187 9.043 11.862 287 HD11 LEU 34 HD11 LEU 34 -9.916 7.118 12.678 288 HD12 LEU 34 HD12 LEU 34 -9.824 6.445 11.040 289 HD13 LEU 34 HD13 LEU 34 -11.391 6.596 11.855 290 HD21 LEU 34 HD21 LEU 34 -8.792 9.263 12.012 291 HD22 LEU 34 HD22 LEU 34 -9.371 10.176 10.616 292 HD23 LEU 34 HD23 LEU 34 -8.565 8.603 10.388 293 H THR 35 HN THR 35 -12.008 9.208 6.875 294 HA THR 35 HA THR 35 -13.951 7.335 6.059 295 HB THR 35 HB THR 35 -12.886 9.896 4.846 296 HG1 THR 35 HG1 THR 35 -15.383 9.923 5.931 297 HG21 THR 35 HG21 THR 35 -14.040 8.767 3.098 298 HG22 THR 35 HG22 THR 35 -15.081 10.050 3.674 299 HG23 THR 35 HG23 THR 35 -15.405 8.353 4.146 300 H GLU 36 HN GLU 36 -11.094 8.616 4.265 301 HA GLU 36 HA GLU 36 -11.167 7.157 1.974 302 HB2 GLU 36 HB2 GLU 36 -8.552 7.584 3.533 303 HB3 GLU 36 HB3 GLU 36 -8.756 7.458 1.804 304 HG2 GLU 36 HG2 GLU 36 -9.733 9.737 3.576 305 HG3 GLU 36 HG3 GLU 36 -8.330 9.765 2.522 306 H ARG 37 HN ARG 37 -9.675 6.092 5.008 307 HA ARG 37 HA ARG 37 -8.689 3.613 4.088 308 HB2 ARG 37 HB2 ARG 37 -8.251 5.011 6.270 309 HB3 ARG 37 HB3 ARG 37 -9.613 4.106 6.924 310 HG2 ARG 37 HG2 ARG 37 -8.218 1.978 6.197 311 HG3 ARG 37 HG3 ARG 37 -6.902 3.114 5.930 312 HD2 ARG 37 HD2 ARG 37 -6.692 2.188 8.159 313 HD3 ARG 37 HD3 ARG 37 -7.095 3.910 8.279 314 HE ARG 37 HE ARG 37 -9.541 2.505 8.378 315 HH11 ARG 37 HH11 ARG 37 -6.808 3.191 10.517 316 HH12 ARG 37 HH12 ARG 37 -7.375 2.193 11.812 317 HH21 ARG 37 HH21 ARG 37 -10.534 1.769 10.171 318 HH22 ARG 37 HH22 ARG 37 -9.752 1.575 11.708 319 H SER 38 HN SER 38 -11.970 4.434 4.844 320 HA SER 38 HA SER 38 -12.800 1.588 4.966 321 HB2 SER 38 HB2 SER 38 -13.702 3.763 6.380 322 HB3 SER 38 HB3 SER 38 -14.824 3.759 5.008 323 HG SER 38 HG SER 38 -15.501 2.463 6.810 324 H GLN 39 HN GLN 39 -13.089 4.547 2.935 325 HA GLN 39 HA GLN 39 -14.870 3.472 1.011 326 HB2 GLN 39 HB2 GLN 39 -12.728 5.616 0.912 327 HB3 GLN 39 HB3 GLN 39 -13.761 5.251 -0.477 328 HG2 GLN 39 HG2 GLN 39 -15.768 5.687 0.864 329 HG3 GLN 39 HG3 GLN 39 -14.799 5.996 2.289 330 HE21 GLN 39 HE21 GLN 39 -12.808 7.518 0.217 331 HE22 GLN 39 HE22 GLN 39 -13.522 9.085 0.324 332 H ILE 40 HN ILE 40 -11.270 3.632 0.870 333 HA ILE 40 HA ILE 40 -11.078 2.090 -1.547 334 HB ILE 40 HB ILE 40 -8.989 2.582 0.621 335 HG12 ILE 40 HG12 ILE 40 -9.701 4.762 0.003 336 HG13 ILE 40 HG13 ILE 40 -8.226 4.473 -0.894 337 HG21 ILE 40 HG21 ILE 40 -7.380 2.448 -1.366 338 HG22 ILE 40 HG22 ILE 40 -8.127 0.913 -0.894 339 HG23 ILE 40 HG23 ILE 40 -8.725 1.784 -2.299 340 HD11 ILE 40 HD11 ILE 40 -9.830 5.491 -2.366 341 HD12 ILE 40 HD12 ILE 40 -9.669 3.799 -2.869 342 HD13 ILE 40 HD13 ILE 40 -11.082 4.308 -1.915 343 H ALA 41 HN ALA 41 -11.963 1.135 1.411 344 HA ALA 41 HA ALA 41 -10.886 -1.677 1.239 345 HB1 ALA 41 HB1 ALA 41 -12.541 -0.444 3.491 346 HB2 ALA 41 HB2 ALA 41 -11.730 -2.005 3.477 347 HB3 ALA 41 HB3 ALA 41 -10.766 -0.529 3.445 348 H HIS 42 HN HIS 42 -13.971 0.042 1.694 349 HA HIS 42 HA HIS 42 -15.661 -2.122 1.193 350 HB2 HIS 42 HB2 HIS 42 -16.141 0.218 2.182 351 HB3 HIS 42 HB3 HIS 42 -16.213 0.819 0.531 352 HD1 HIS 42 HD1 HIS 42 -18.237 -0.982 3.124 353 HD2 HIS 42 HD2 HIS 42 -18.300 -0.238 -1.029 354 HE1 HIS 42 HE1 HIS 42 -20.589 -1.532 2.336 355 H ALA 43 HN ALA 43 -14.319 0.320 -1.067 356 HA ALA 43 HA ALA 43 -15.785 -0.320 -3.374 357 HB1 ALA 43 HB1 ALA 43 -13.877 0.638 -4.601 358 HB2 ALA 43 HB2 ALA 43 -14.222 1.601 -3.146 359 HB3 ALA 43 HB3 ALA 43 -12.844 0.485 -3.165 360 H LEU 44 HN LEU 44 -13.058 -1.990 -1.881 361 HA LEU 44 HA LEU 44 -12.776 -3.835 -4.199 362 HB2 LEU 44 HB2 LEU 44 -10.834 -3.352 -1.936 363 HB3 LEU 44 HB3 LEU 44 -10.526 -4.167 -3.469 364 HG LEU 44 HG LEU 44 -11.058 -1.200 -3.053 365 HD11 LEU 44 HD11 LEU 44 -8.517 -2.607 -3.949 366 HD12 LEU 44 HD12 LEU 44 -8.841 -2.010 -2.303 367 HD13 LEU 44 HD13 LEU 44 -8.759 -0.873 -3.639 368 HD21 LEU 44 HD21 LEU 44 -11.934 -2.041 -5.298 369 HD22 LEU 44 HD22 LEU 44 -10.250 -2.453 -5.690 370 HD23 LEU 44 HD23 LEU 44 -10.724 -0.776 -5.350 371 H LYS 45 HN LYS 45 -14.512 -3.721 -1.486 372 HA LYS 45 HA LYS 45 -15.349 -5.066 0.054 373 HB2 LYS 45 HB2 LYS 45 -14.930 -6.839 -2.328 374 HB3 LYS 45 HB3 LYS 45 -15.330 -7.652 -0.830 375 HG2 LYS 45 HG2 LYS 45 -17.300 -6.060 -0.573 376 HG3 LYS 45 HG3 LYS 45 -16.863 -5.336 -2.132 377 HD2 LYS 45 HD2 LYS 45 -17.224 -7.577 -3.216 378 HD3 LYS 45 HD3 LYS 45 -17.745 -8.205 -1.634 379 HE2 LYS 45 HE2 LYS 45 -19.443 -6.269 -1.606 380 HE3 LYS 45 HE3 LYS 45 -19.045 -6.010 -3.304 381 HZ1 LYS 45 HZ1 LYS 45 -20.201 -8.438 -2.092 382 HZ2 LYS 45 HZ2 LYS 45 -19.717 -8.380 -3.665 383 HZ3 LYS 45 HZ3 LYS 45 -20.949 -7.426 -3.137 384 H LEU 46 HN LEU 46 -12.503 -4.534 0.252 385 HA LEU 46 HA LEU 46 -11.442 -6.901 1.755 386 HB2 LEU 46 HB2 LEU 46 -10.227 -4.369 0.607 387 HB3 LEU 46 HB3 LEU 46 -9.384 -5.261 1.860 388 HG LEU 46 HG LEU 46 -10.355 -6.724 -0.624 389 HD11 LEU 46 HD11 LEU 46 -8.039 -6.315 -1.558 390 HD12 LEU 46 HD12 LEU 46 -7.856 -5.059 -0.302 391 HD13 LEU 46 HD13 LEU 46 -9.103 -4.904 -1.541 392 HD21 LEU 46 HD21 LEU 46 -9.578 -8.108 1.251 393 HD22 LEU 46 HD22 LEU 46 -8.039 -7.194 1.314 394 HD23 LEU 46 HD23 LEU 46 -8.423 -8.188 -0.089 395 H SER 47 HN SER 47 -10.592 -6.370 3.979 396 HA SER 47 HA SER 47 -12.350 -4.492 5.374 397 HB2 SER 47 HB2 SER 47 -10.764 -6.753 6.115 398 HB3 SER 47 HB3 SER 47 -10.049 -5.372 6.947 399 HG SER 47 HG SER 47 -12.557 -6.541 7.146 400 H GLU 48 HN GLU 48 -11.612 -2.627 6.544 401 HA GLU 48 HA GLU 48 -9.844 -0.798 5.404 402 HB2 GLU 48 HB2 GLU 48 -10.342 -1.230 8.381 403 HB3 GLU 48 HB3 GLU 48 -9.685 0.229 7.637 404 HG2 GLU 48 HG2 GLU 48 -11.815 0.625 6.484 405 HG3 GLU 48 HG3 GLU 48 -12.497 -0.852 7.209 406 H VAL 49 HN VAL 49 -9.176 -3.307 7.813 407 HA VAL 49 HA VAL 49 -6.537 -2.539 8.509 408 HB VAL 49 HB VAL 49 -7.841 -5.330 8.458 409 HG11 VAL 49 HG11 VAL 49 -6.382 -5.805 10.389 410 HG12 VAL 49 HG12 VAL 49 -5.468 -5.471 8.917 411 HG13 VAL 49 HG13 VAL 49 -5.591 -4.229 10.192 412 HG21 VAL 49 HG21 VAL 49 -8.010 -3.247 10.655 413 HG22 VAL 49 HG22 VAL 49 -9.366 -3.856 9.680 414 HG23 VAL 49 HG23 VAL 49 -8.538 -4.933 10.801 415 H GLN 50 HN GLN 50 -7.805 -4.775 5.986 416 HA GLN 50 HA GLN 50 -5.255 -5.694 5.133 417 HB2 GLN 50 HB2 GLN 50 -7.938 -5.342 3.660 418 HB3 GLN 50 HB3 GLN 50 -6.571 -6.124 2.931 419 HG2 GLN 50 HG2 GLN 50 -7.960 -7.083 5.460 420 HG3 GLN 50 HG3 GLN 50 -8.211 -7.724 3.838 421 HE21 GLN 50 HE21 GLN 50 -7.194 -9.134 6.218 422 HE22 GLN 50 HE22 GLN 50 -5.618 -9.774 5.709 423 H VAL 51 HN VAL 51 -7.313 -2.953 3.986 424 HA VAL 51 HA VAL 51 -5.463 -2.115 1.994 425 HB VAL 51 HB VAL 51 -7.560 -0.461 3.466 426 HG11 VAL 51 HG11 VAL 51 -5.997 0.948 2.164 427 HG12 VAL 51 HG12 VAL 51 -6.243 -0.080 0.730 428 HG13 VAL 51 HG13 VAL 51 -7.570 0.893 1.396 429 HG21 VAL 51 HG21 VAL 51 -8.923 -0.981 1.419 430 HG22 VAL 51 HG22 VAL 51 -7.749 -2.218 0.971 431 HG23 VAL 51 HG23 VAL 51 -8.684 -2.371 2.480 432 H LYS 52 HN LYS 52 -5.833 -1.097 5.470 433 HA LYS 52 HA LYS 52 -3.907 0.940 5.319 434 HB2 LYS 52 HB2 LYS 52 -4.076 1.201 7.520 435 HB3 LYS 52 HB3 LYS 52 -5.522 0.276 7.269 436 HG2 LYS 52 HG2 LYS 52 -4.427 -1.711 8.117 437 HG3 LYS 52 HG3 LYS 52 -2.867 -0.882 8.258 438 HD2 LYS 52 HD2 LYS 52 -3.560 0.422 10.065 439 HD3 LYS 52 HD3 LYS 52 -5.273 0.251 9.659 440 HE2 LYS 52 HE2 LYS 52 -5.051 -2.229 10.154 441 HE3 LYS 52 HE3 LYS 52 -3.446 -1.890 10.844 442 HZ1 LYS 52 HZ1 LYS 52 -4.490 -0.497 12.469 443 HZ2 LYS 52 HZ2 LYS 52 -5.366 -1.897 12.453 444 HZ3 LYS 52 HZ3 LYS 52 -5.956 -0.592 11.697 445 H ILE 53 HN ILE 53 -3.489 -2.519 5.944 446 HA ILE 53 HA ILE 53 -0.714 -2.429 6.381 447 HB ILE 53 HB ILE 53 -2.583 -4.668 5.546 448 HG12 ILE 53 HG12 ILE 53 -1.183 -4.142 8.191 449 HG13 ILE 53 HG13 ILE 53 -2.778 -3.519 7.857 450 HG21 ILE 53 HG21 ILE 53 -0.744 -6.245 6.203 451 HG22 ILE 53 HG22 ILE 53 -0.314 -5.300 4.788 452 HG23 ILE 53 HG23 ILE 53 0.353 -4.854 6.377 453 HD11 ILE 53 HD11 ILE 53 -3.022 -5.505 9.139 454 HD12 ILE 53 HD12 ILE 53 -3.564 -5.889 7.487 455 HD13 ILE 53 HD13 ILE 53 -1.969 -6.431 8.065 456 H TRP 54 HN TRP 54 -2.602 -2.909 3.289 457 HA TRP 54 HA TRP 54 -0.253 -3.468 1.769 458 HB2 TRP 54 HB2 TRP 54 -2.697 -3.750 1.043 459 HB3 TRP 54 HB3 TRP 54 -2.654 -2.060 0.600 460 HD1 TRP 54 HD1 TRP 54 -1.494 -5.461 -0.413 461 HE1 TRP 54 HE1 TRP 54 -0.319 -5.456 -2.634 462 HE3 TRP 54 HE3 TRP 54 -1.144 -0.388 -1.133 463 HZ2 TRP 54 HZ2 TRP 54 0.767 -3.526 -4.488 464 HZ3 TRP 54 HZ3 TRP 54 -0.076 0.478 -3.190 465 HH2 TRP 54 HH2 TRP 54 0.891 -1.052 -4.845 466 H PHE 55 HN PHE 55 -2.010 -0.408 2.314 467 HA PHE 55 HA PHE 55 -0.348 1.244 0.750 468 HB2 PHE 55 HB2 PHE 55 -2.292 1.649 2.984 469 HB3 PHE 55 HB3 PHE 55 -1.263 2.982 2.584 470 HD1 PHE 55 HD2 PHE 55 -3.832 0.676 1.045 471 HD2 PHE 55 HD1 PHE 55 -1.591 4.316 0.690 472 HE1 PHE 55 HE2 PHE 55 -5.375 1.455 -0.716 473 HE2 PHE 55 HE1 PHE 55 -3.136 5.055 -1.180 474 HZ PHE 55 HZ PHE 55 -5.034 3.623 -1.819 475 H GLN 56 HN GLN 56 0.081 0.277 4.212 476 HA GLN 56 HA GLN 56 2.378 2.006 4.542 477 HB2 GLN 56 HB2 GLN 56 2.892 0.664 6.542 478 HB3 GLN 56 HB3 GLN 56 1.160 1.166 6.545 479 HG2 GLN 56 HG2 GLN 56 0.477 -0.931 5.865 480 HG3 GLN 56 HG3 GLN 56 2.127 -1.532 5.699 481 HE21 GLN 56 HE21 GLN 56 0.227 -0.038 8.570 482 HE22 GLN 56 HE22 GLN 56 0.844 -1.364 9.538 483 H ASN 57 HN ASN 57 2.023 -1.433 3.585 484 HA ASN 57 HA ASN 57 4.770 -2.115 3.726 485 HB2 ASN 57 HB2 ASN 57 2.295 -3.239 2.379 486 HB3 ASN 57 HB3 ASN 57 3.853 -3.786 1.848 487 HD21 ASN 57 HD21 ASN 57 2.004 -3.393 4.955 488 HD22 ASN 57 HD22 ASN 57 2.780 -4.759 5.717 489 H GLU 58 HN GLU 58 2.750 -0.695 1.255 490 HA GLU 58 HA GLU 58 4.790 -0.863 -0.814 491 HB2 GLU 58 HB2 GLU 58 2.197 -0.881 -1.087 492 HB3 GLU 58 HB3 GLU 58 2.294 0.867 -0.928 493 HG2 GLU 58 HG2 GLU 58 2.415 0.453 -3.275 494 HG3 GLU 58 HG3 GLU 58 4.057 0.812 -2.808 495 H ARG 59 HN ARG 59 3.440 1.817 1.279 496 HA ARG 59 HA ARG 59 5.030 3.805 0.024 497 HB2 ARG 59 HB2 ARG 59 3.266 3.888 2.230 498 HB3 ARG 59 HB3 ARG 59 4.827 4.391 2.861 499 HG2 ARG 59 HG2 ARG 59 5.005 5.970 0.864 500 HG3 ARG 59 HG3 ARG 59 3.304 5.612 0.540 501 HD2 ARG 59 HD2 ARG 59 2.704 6.510 2.779 502 HD3 ARG 59 HD3 ARG 59 4.423 6.786 3.123 503 HE ARG 59 HE ARG 59 3.827 8.112 0.701 504 HH11 ARG 59 HH11 ARG 59 3.003 8.529 4.140 505 HH12 ARG 59 HH12 ARG 59 2.850 10.237 3.974 506 HH21 ARG 59 HH21 ARG 59 3.633 10.304 0.544 507 HH22 ARG 59 HH22 ARG 59 3.331 11.291 1.958 508 H ALA 60 HN ALA 60 5.723 1.502 2.502 509 HA ALA 60 HA ALA 60 8.297 2.435 3.335 510 HB1 ALA 60 HB1 ALA 60 6.824 0.953 4.658 511 HB2 ALA 60 HB2 ALA 60 7.046 -0.348 3.470 512 HB3 ALA 60 HB3 ALA 60 8.415 0.247 4.413 513 H LYS 61 HN LYS 61 7.311 -0.200 0.971 514 HA LYS 61 HA LYS 61 10.082 -0.709 0.362 515 HB2 LYS 61 HB2 LYS 61 9.513 -2.247 -1.076 516 HB3 LYS 61 HB3 LYS 61 8.011 -2.241 -0.166 517 HG2 LYS 61 HG2 LYS 61 6.856 -1.081 -1.940 518 HG3 LYS 61 HG3 LYS 61 8.372 -0.703 -2.791 519 HD2 LYS 61 HD2 LYS 61 8.853 -3.070 -3.121 520 HD3 LYS 61 HD3 LYS 61 7.300 -3.479 -2.353 521 HE2 LYS 61 HE2 LYS 61 6.047 -2.531 -4.109 522 HE3 LYS 61 HE3 LYS 61 7.409 -1.536 -4.652 523 HZ1 LYS 61 HZ1 LYS 61 6.878 -3.434 -6.096 524 HZ2 LYS 61 HZ2 LYS 61 7.398 -4.481 -4.953 525 HZ3 LYS 61 HZ3 LYS 61 8.441 -3.367 -5.624 526 H TRP 62 HN TRP 62 7.644 1.473 -1.188 527 HA TRP 62 HA TRP 62 9.481 2.192 -3.241 528 HB2 TRP 62 HB2 TRP 62 6.939 2.580 -3.072 529 HB3 TRP 62 HB3 TRP 62 7.363 4.062 -2.214 530 HD1 TRP 62 HD1 TRP 62 6.873 2.620 -5.591 531 HE1 TRP 62 HE1 TRP 62 7.780 4.087 -7.475 532 HE3 TRP 62 HE3 TRP 62 9.349 6.034 -2.780 533 HZ2 TRP 62 HZ2 TRP 62 9.797 6.176 -7.736 534 HZ3 TRP 62 HZ3 TRP 62 10.955 7.631 -3.839 535 HH2 TRP 62 HH2 TRP 62 11.210 7.682 -6.306 536 H LYS 63 HN LYS 63 9.027 3.472 0.105 537 HA LYS 63 HA LYS 63 10.861 5.652 -0.163 538 HB2 LYS 63 HB2 LYS 63 9.946 3.965 2.196 539 HB3 LYS 63 HB3 LYS 63 11.335 5.011 2.342 540 HG2 LYS 63 HG2 LYS 63 9.492 6.756 1.216 541 HG3 LYS 63 HG3 LYS 63 8.475 5.717 2.222 542 HD2 LYS 63 HD2 LYS 63 9.119 7.406 3.716 543 HD3 LYS 63 HD3 LYS 63 10.273 6.121 4.079 544 HE2 LYS 63 HE2 LYS 63 11.737 7.323 2.199 545 HE3 LYS 63 HE3 LYS 63 10.685 8.707 2.532 546 HZ1 LYS 63 HZ1 LYS 63 11.409 8.339 4.945 547 HZ2 LYS 63 HZ2 LYS 63 12.574 8.901 3.926 548 HZ3 LYS 63 HZ3 LYS 63 12.540 7.310 4.320 549 H ARG 64 HN ARG 64 11.603 2.148 0.322 550 HA ARG 64 HA ARG 64 14.375 2.710 0.901 551 HB2 ARG 64 HB2 ARG 64 14.728 0.557 1.120 552 HB3 ARG 64 HB3 ARG 64 12.953 0.577 1.274 553 HG2 ARG 64 HG2 ARG 64 12.903 0.140 -1.212 554 HG3 ARG 64 HG3 ARG 64 14.615 -0.142 -1.135 555 HD2 ARG 64 HD2 ARG 64 14.323 -2.021 0.431 556 HD3 ARG 64 HD3 ARG 64 12.606 -1.658 0.598 557 HE ARG 64 HE ARG 64 12.201 -3.020 -1.123 558 HH11 ARG 64 HH11 ARG 64 15.590 -1.972 -1.468 559 HH12 ARG 64 HH12 ARG 64 15.934 -3.034 -2.775 560 HH21 ARG 64 HH21 ARG 64 12.551 -4.209 -3.091 561 HH22 ARG 64 HH22 ARG 64 14.129 -4.233 -3.794 562 H ILE 65 HN ILE 65 12.675 2.749 -2.005 563 HA ILE 65 HA ILE 65 14.990 2.577 -3.770 564 HB ILE 65 HB ILE 65 12.306 3.760 -4.561 565 HG12 ILE 65 HG12 ILE 65 13.018 0.800 -4.306 566 HG13 ILE 65 HG13 ILE 65 11.799 1.687 -3.404 567 HG21 ILE 65 HG21 ILE 65 14.455 2.200 -6.078 568 HG22 ILE 65 HG22 ILE 65 12.907 2.750 -6.781 569 HG23 ILE 65 HG23 ILE 65 14.082 3.921 -6.257 570 HD11 ILE 65 HD11 ILE 65 10.627 0.414 -4.995 571 HD12 ILE 65 HD12 ILE 65 10.555 2.098 -5.546 572 HD13 ILE 65 HD13 ILE 65 11.665 0.940 -6.321 573 H LYS 66 HN LYS 66 13.883 5.070 -1.709 574 HA LYS 66 HA LYS 66 14.941 7.339 -3.247 575 HB2 LYS 66 HB2 LYS 66 14.337 6.939 -0.275 576 HB3 LYS 66 HB3 LYS 66 14.997 8.416 -0.920 577 HG2 LYS 66 HG2 LYS 66 12.350 7.259 -1.891 578 HG3 LYS 66 HG3 LYS 66 12.464 8.331 -0.495 579 HD2 LYS 66 HD2 LYS 66 13.494 9.061 -3.254 580 HD3 LYS 66 HD3 LYS 66 11.890 9.492 -2.679 581 HE2 LYS 66 HE2 LYS 66 14.034 10.242 -0.776 582 HE3 LYS 66 HE3 LYS 66 14.241 10.988 -2.359 583 HZ1 LYS 66 HZ1 LYS 66 12.841 12.241 -0.699 584 HZ2 LYS 66 HZ2 LYS 66 11.646 11.134 -0.970 585 HZ3 LYS 66 HZ3 LYS 66 12.241 12.064 -2.197 586 H ALA 67 HN ALA 67 16.838 5.881 -3.916 587 HA ALA 67 HA ALA 67 18.717 5.004 -2.042 588 HB1 ALA 67 HB1 ALA 67 18.602 4.208 -4.352 589 HB2 ALA 67 HB2 ALA 67 19.246 5.775 -4.915 590 HB3 ALA 67 HB3 ALA 67 20.241 4.722 -3.901 591 H GLY 68 HN GLY 68 18.342 8.250 -3.325 592 HA2 GLY 68 HA1 GLY 68 20.897 9.175 -2.180 593 HA3 GLY 68 HA2 GLY 68 19.646 10.166 -2.947 594 H ASN 69 HN ASN 69 19.582 7.813 -0.151 595 HA ASN 69 HA ASN 69 19.125 10.078 1.657 596 HB2 ASN 69 HB2 ASN 69 17.059 8.141 0.949 597 HB3 ASN 69 HB3 ASN 69 17.447 7.977 2.646 598 HD21 ASN 69 HD21 ASN 69 17.491 10.901 0.637 599 HD22 ASN 69 HD22 ASN 69 16.571 11.851 1.756 600 H VAL 70 HN VAL 70 21.134 7.940 0.910 601 HA VAL 70 HA VAL 70 22.686 6.586 1.874 602 HB VAL 70 HB VAL 70 24.021 7.790 3.566 603 HG11 VAL 70 HG11 VAL 70 24.294 8.127 1.146 604 HG12 VAL 70 HG12 VAL 70 23.115 9.457 1.177 605 HG13 VAL 70 HG13 VAL 70 24.651 9.604 2.048 606 HG21 VAL 70 HG21 VAL 70 21.978 10.049 3.334 607 HG22 VAL 70 HG22 VAL 70 22.263 9.072 4.791 608 HG23 VAL 70 HG23 VAL 70 23.546 10.099 4.153 609 H SER 71 HN SER 71 20.660 5.157 2.353 610 HA SER 71 HA SER 71 20.449 4.727 5.277 611 HB2 SER 71 HB2 SER 71 18.086 4.274 4.983 612 HB3 SER 71 HB3 SER 71 18.546 5.930 4.603 613 HG SER 71 HG SER 71 18.532 5.235 2.319 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 16.563 2.414 -12.173 2 HA2 GLY 1 HA1 GLY 1 16.942 2.672 -14.601 3 HA3 GLY 1 HA2 GLY 1 17.324 0.940 -14.629 4 H ALA 2 HN ALA 2 15.652 -0.305 -15.314 5 HA ALA 2 HA ALA 2 12.874 0.368 -14.458 6 HB1 ALA 2 HB1 ALA 2 12.191 -1.220 -16.216 7 HB2 ALA 2 HB2 ALA 2 13.063 0.175 -16.875 8 HB3 ALA 2 HB3 ALA 2 13.877 -1.394 -16.730 9 HA PRO 3 HA PRO 3 14.635 -3.049 -11.820 10 HB2 PRO 3 HB2 PRO 3 13.740 -2.236 -9.381 11 HB3 PRO 3 HB3 PRO 3 15.113 -1.409 -10.180 12 HG2 PRO 3 HG2 PRO 3 12.174 -0.590 -10.276 13 HG3 PRO 3 HG3 PRO 3 13.570 0.420 -9.773 14 HD2 PRO 3 HD2 PRO 3 12.622 0.490 -12.288 15 HD3 PRO 3 HD3 PRO 3 14.396 0.515 -11.949 16 H GLY 4 HN GLY 4 13.488 -4.714 -10.486 17 HA2 GLY 4 HA1 GLY 4 10.685 -4.515 -10.034 18 HA3 GLY 4 HA2 GLY 4 11.078 -5.764 -11.248 19 H GLY 5 HN GLY 5 10.037 -6.353 -8.604 20 HA2 GLY 5 HA1 GLY 5 12.126 -8.119 -7.619 21 HA3 GLY 5 HA2 GLY 5 11.831 -6.744 -6.541 22 H LYS 6 HN LYS 6 11.325 -9.606 -6.135 23 HA LYS 6 HA LYS 6 8.345 -9.748 -5.832 24 HB2 LYS 6 HB2 LYS 6 10.237 -11.824 -7.003 25 HB3 LYS 6 HB3 LYS 6 8.560 -12.135 -6.581 26 HG2 LYS 6 HG2 LYS 6 7.740 -11.150 -8.458 27 HG3 LYS 6 HG3 LYS 6 8.875 -9.812 -8.381 28 HD2 LYS 6 HD2 LYS 6 10.678 -11.216 -9.312 29 HD3 LYS 6 HD3 LYS 6 9.567 -12.591 -9.369 30 HE2 LYS 6 HE2 LYS 6 9.716 -11.702 -11.570 31 HE3 LYS 6 HE3 LYS 6 8.106 -11.324 -10.959 32 HZ1 LYS 6 HZ1 LYS 6 8.860 -9.040 -10.585 33 HZ2 LYS 6 HZ2 LYS 6 9.154 -9.474 -12.135 34 HZ3 LYS 6 HZ3 LYS 6 10.389 -9.416 -11.104 35 H SER 7 HN SER 7 8.907 -9.091 -3.580 36 HA SER 7 HA SER 7 9.971 -11.312 -1.951 37 HB2 SER 7 HB2 SER 7 9.222 -9.516 -0.120 38 HB3 SER 7 HB3 SER 7 10.786 -9.439 -0.939 39 HG SER 7 HG SER 7 9.954 -7.424 -1.033 40 H ARG 8 HN ARG 8 8.518 -12.206 -0.298 41 HA ARG 8 HA ARG 8 5.639 -11.870 -0.647 42 HB2 ARG 8 HB2 ARG 8 5.154 -14.144 -1.181 43 HB3 ARG 8 HB3 ARG 8 6.138 -13.450 -2.447 44 HG2 ARG 8 HG2 ARG 8 8.082 -14.727 -1.751 45 HG3 ARG 8 HG3 ARG 8 7.278 -15.238 -0.269 46 HD2 ARG 8 HD2 ARG 8 7.147 -17.098 -1.675 47 HD3 ARG 8 HD3 ARG 8 5.530 -16.416 -1.674 48 HE ARG 8 HE ARG 8 6.481 -15.251 -3.880 49 HH11 ARG 8 HH11 ARG 8 6.872 -18.643 -2.873 50 HH12 ARG 8 HH12 ARG 8 6.883 -19.264 -4.488 51 HH21 ARG 8 HH21 ARG 8 6.399 -16.072 -5.983 52 HH22 ARG 8 HH22 ARG 8 6.619 -17.771 -6.307 53 H ARG 9 HN ARG 9 4.876 -14.155 0.864 54 HA ARG 9 HA ARG 9 4.711 -15.002 2.911 55 HB2 ARG 9 HB2 ARG 9 7.096 -15.615 1.992 56 HB3 ARG 9 HB3 ARG 9 7.677 -14.646 3.328 57 HG2 ARG 9 HG2 ARG 9 7.241 -16.274 4.849 58 HG3 ARG 9 HG3 ARG 9 5.661 -16.669 4.152 59 HD2 ARG 9 HD2 ARG 9 6.561 -18.078 2.511 60 HD3 ARG 9 HD3 ARG 9 8.186 -17.403 2.646 61 HE ARG 9 HE ARG 9 8.077 -18.492 5.029 62 HH11 ARG 9 HH11 ARG 9 6.745 -19.931 2.089 63 HH12 ARG 9 HH12 ARG 9 7.761 -21.325 2.063 64 HH21 ARG 9 HH21 ARG 9 9.240 -20.519 5.260 65 HH22 ARG 9 HH22 ARG 9 9.154 -21.700 4.004 66 H ARG 10 HN ARG 10 4.686 -11.933 2.750 67 HA ARG 10 HA ARG 10 4.522 -11.460 5.595 68 HB2 ARG 10 HB2 ARG 10 7.029 -11.197 5.036 69 HB3 ARG 10 HB3 ARG 10 6.561 -9.744 4.146 70 HG2 ARG 10 HG2 ARG 10 5.372 -9.085 6.424 71 HG3 ARG 10 HG3 ARG 10 6.392 -10.324 7.137 72 HD2 ARG 10 HD2 ARG 10 7.475 -8.057 5.414 73 HD3 ARG 10 HD3 ARG 10 7.172 -7.865 7.122 74 HE ARG 10 HE ARG 10 9.116 -9.829 5.942 75 HH11 ARG 10 HH11 ARG 10 8.111 -8.051 8.812 76 HH12 ARG 10 HH12 ARG 10 9.698 -7.710 9.400 77 HH21 ARG 10 HH21 ARG 10 11.319 -9.670 6.871 78 HH22 ARG 10 HH22 ARG 10 11.525 -8.729 8.290 79 H ARG 11 HN ARG 11 2.571 -11.391 3.526 80 HA ARG 11 HA ARG 11 1.498 -8.838 4.170 81 HB2 ARG 11 HB2 ARG 11 2.876 -9.022 1.635 82 HB3 ARG 11 HB3 ARG 11 1.176 -9.006 1.264 83 HG2 ARG 11 HG2 ARG 11 0.880 -6.838 1.938 84 HG3 ARG 11 HG3 ARG 11 2.003 -6.953 3.289 85 HD2 ARG 11 HD2 ARG 11 2.888 -6.808 0.395 86 HD3 ARG 11 HD3 ARG 11 2.765 -5.407 1.478 87 HE ARG 11 HE ARG 11 4.273 -7.018 2.981 88 HH11 ARG 11 HH11 ARG 11 4.747 -6.130 -0.425 89 HH12 ARG 11 HH12 ARG 11 6.360 -6.699 -0.526 90 HH21 ARG 11 HH21 ARG 11 6.399 -7.154 3.061 91 HH22 ARG 11 HH22 ARG 11 7.454 -7.266 1.670 92 H THR 12 HN THR 12 -0.870 -8.836 3.818 93 HA THR 12 HA THR 12 -1.989 -11.397 3.987 94 HB THR 12 HB THR 12 -3.737 -9.171 3.113 95 HG1 THR 12 HG1 THR 12 -3.417 -8.203 5.284 96 HG21 THR 12 HG21 THR 12 -3.689 -10.844 5.658 97 HG22 THR 12 HG22 THR 12 -4.571 -11.267 4.171 98 HG23 THR 12 HG23 THR 12 -5.022 -9.817 5.082 99 H ALA 13 HN ALA 13 -3.723 -12.236 2.520 100 HA ALA 13 HA ALA 13 -2.532 -12.827 -0.014 101 HB1 ALA 13 HB1 ALA 13 -3.645 -14.459 1.479 102 HB2 ALA 13 HB2 ALA 13 -5.192 -13.612 1.242 103 HB3 ALA 13 HB3 ALA 13 -4.399 -14.430 -0.128 104 H PHE 14 HN PHE 14 -2.753 -10.399 -0.640 105 HA PHE 14 HA PHE 14 -5.295 -9.629 -1.786 106 HB2 PHE 14 HB2 PHE 14 -2.548 -8.350 -1.849 107 HB3 PHE 14 HB3 PHE 14 -3.898 -7.750 -2.773 108 HD1 PHE 14 HD1 PHE 14 -4.215 -8.882 0.829 109 HD2 PHE 14 HD2 PHE 14 -4.104 -5.593 -1.944 110 HE1 PHE 14 HE1 PHE 14 -4.731 -7.318 2.666 111 HE2 PHE 14 HE2 PHE 14 -4.723 -4.057 -0.097 112 HZ PHE 14 HZ PHE 14 -4.949 -4.896 2.211 113 H THR 15 HN THR 15 -5.840 -9.943 -3.756 114 HA THR 15 HA THR 15 -4.161 -11.427 -5.692 115 HB THR 15 HB THR 15 -6.340 -11.082 -7.107 116 HG1 THR 15 HG1 THR 15 -8.091 -10.513 -6.054 117 HG21 THR 15 HG21 THR 15 -6.258 -12.675 -4.500 118 HG22 THR 15 HG22 THR 15 -5.750 -13.249 -6.105 119 HG23 THR 15 HG23 THR 15 -7.469 -12.933 -5.773 120 H SER 16 HN SER 16 -3.991 -10.552 -7.948 121 HA SER 16 HA SER 16 -2.429 -8.238 -7.838 122 HB2 SER 16 HB2 SER 16 -3.768 -9.549 -10.213 123 HB3 SER 16 HB3 SER 16 -2.475 -8.334 -10.292 124 HG SER 16 HG SER 16 -1.094 -9.708 -9.301 125 H GLU 17 HN GLU 17 -5.946 -8.461 -8.761 126 HA GLU 17 HA GLU 17 -6.089 -5.900 -9.860 127 HB2 GLU 17 HB2 GLU 17 -7.692 -7.923 -9.946 128 HB3 GLU 17 HB3 GLU 17 -8.140 -7.538 -8.280 129 HG2 GLU 17 HG2 GLU 17 -8.409 -5.114 -9.537 130 HG3 GLU 17 HG3 GLU 17 -8.780 -6.176 -10.891 131 H GLN 18 HN GLN 18 -6.301 -7.100 -6.487 132 HA GLN 18 HA GLN 18 -7.205 -4.570 -5.397 133 HB2 GLN 18 HB2 GLN 18 -5.841 -6.699 -3.731 134 HB3 GLN 18 HB3 GLN 18 -7.193 -5.652 -3.306 135 HG2 GLN 18 HG2 GLN 18 -8.631 -7.080 -4.915 136 HG3 GLN 18 HG3 GLN 18 -7.221 -8.070 -5.133 137 HE21 GLN 18 HE21 GLN 18 -9.970 -7.471 -2.947 138 HE22 GLN 18 HE22 GLN 18 -9.528 -8.797 -1.920 139 H LEU 19 HN LEU 19 -4.126 -6.140 -6.079 140 HA LEU 19 HA LEU 19 -2.484 -4.297 -4.505 141 HB2 LEU 19 HB2 LEU 19 -1.936 -6.225 -6.808 142 HB3 LEU 19 HB3 LEU 19 -0.693 -5.267 -6.048 143 HG LEU 19 HG LEU 19 -2.424 -7.321 -4.583 144 HD11 LEU 19 HD11 LEU 19 0.433 -7.578 -5.617 145 HD12 LEU 19 HD12 LEU 19 -0.992 -8.430 -6.249 146 HD13 LEU 19 HD13 LEU 19 -0.434 -8.770 -4.611 147 HD21 LEU 19 HD21 LEU 19 0.155 -5.984 -3.738 148 HD22 LEU 19 HD22 LEU 19 -0.741 -7.197 -2.802 149 HD23 LEU 19 HD23 LEU 19 -1.452 -5.597 -3.071 150 H LEU 20 HN LEU 20 -4.278 -3.841 -7.323 151 HA LEU 20 HA LEU 20 -2.383 -2.084 -8.649 152 HB2 LEU 20 HB2 LEU 20 -4.536 -3.516 -9.565 153 HB3 LEU 20 HB3 LEU 20 -5.304 -1.956 -9.390 154 HG LEU 20 HG LEU 20 -4.505 -2.100 -11.617 155 HD11 LEU 20 HD11 LEU 20 -2.968 -0.292 -11.910 156 HD12 LEU 20 HD12 LEU 20 -2.454 -0.357 -10.214 157 HD13 LEU 20 HD13 LEU 20 -4.123 0.091 -10.624 158 HD21 LEU 20 HD21 LEU 20 -2.201 -2.748 -12.197 159 HD22 LEU 20 HD22 LEU 20 -3.034 -3.996 -11.236 160 HD23 LEU 20 HD23 LEU 20 -1.803 -2.968 -10.485 161 H GLU 21 HN GLU 21 -5.598 -1.496 -7.195 162 HA GLU 21 HA GLU 21 -5.425 1.299 -7.604 163 HB2 GLU 21 HB2 GLU 21 -7.234 -0.033 -5.585 164 HB3 GLU 21 HB3 GLU 21 -7.533 1.436 -6.508 165 HG2 GLU 21 HG2 GLU 21 -7.430 -1.428 -7.556 166 HG3 GLU 21 HG3 GLU 21 -8.864 -0.459 -7.345 167 H LEU 22 HN LEU 22 -4.508 -0.700 -4.962 168 HA LEU 22 HA LEU 22 -3.758 1.015 -2.854 169 HB2 LEU 22 HB2 LEU 22 -2.986 -1.608 -4.079 170 HB3 LEU 22 HB3 LEU 22 -1.700 -0.849 -3.196 171 HG LEU 22 HG LEU 22 -2.878 -0.890 -1.126 172 HD11 LEU 22 HD11 LEU 22 -5.173 -0.303 -1.757 173 HD12 LEU 22 HD12 LEU 22 -5.181 -1.861 -0.922 174 HD13 LEU 22 HD13 LEU 22 -5.328 -1.803 -2.688 175 HD21 LEU 22 HD21 LEU 22 -2.902 -3.221 -0.849 176 HD22 LEU 22 HD22 LEU 22 -1.904 -3.022 -2.282 177 HD23 LEU 22 HD23 LEU 22 -3.589 -3.511 -2.474 178 H ARG 23 HN ARG 23 -1.984 0.227 -5.898 179 HA ARG 23 HA ARG 23 0.286 1.905 -5.054 180 HB2 ARG 23 HB2 ARG 23 -0.241 0.240 -7.569 181 HB3 ARG 23 HB3 ARG 23 1.254 1.101 -7.215 182 HG2 ARG 23 HG2 ARG 23 1.664 -0.340 -5.235 183 HG3 ARG 23 HG3 ARG 23 0.113 -1.126 -5.465 184 HD2 ARG 23 HD2 ARG 23 1.864 -2.542 -6.378 185 HD3 ARG 23 HD3 ARG 23 0.814 -1.958 -7.671 186 HE ARG 23 HE ARG 23 3.263 -0.405 -7.091 187 HH11 ARG 23 HH11 ARG 23 1.717 -2.796 -9.270 188 HH12 ARG 23 HH12 ARG 23 2.792 -2.450 -10.582 189 HH21 ARG 23 HH21 ARG 23 4.791 -0.109 -8.888 190 HH22 ARG 23 HH22 ARG 23 4.522 -1.062 -10.319 191 H LYS 24 HN LYS 24 -2.687 2.170 -6.832 192 HA LYS 24 HA LYS 24 -1.872 4.394 -8.474 193 HB2 LYS 24 HB2 LYS 24 -4.620 3.574 -7.449 194 HB3 LYS 24 HB3 LYS 24 -4.338 4.938 -8.495 195 HG2 LYS 24 HG2 LYS 24 -3.341 2.193 -9.326 196 HG3 LYS 24 HG3 LYS 24 -5.041 2.639 -9.503 197 HD2 LYS 24 HD2 LYS 24 -4.390 4.654 -10.794 198 HD3 LYS 24 HD3 LYS 24 -2.685 4.125 -10.750 199 HE2 LYS 24 HE2 LYS 24 -3.109 2.249 -12.108 200 HE3 LYS 24 HE3 LYS 24 -4.805 2.171 -11.622 201 HZ1 LYS 24 HZ1 LYS 24 -3.698 4.209 -13.446 202 HZ2 LYS 24 HZ2 LYS 24 -5.261 4.122 -12.894 203 HZ3 LYS 24 HZ3 LYS 24 -4.695 2.926 -13.819 204 H GLU 25 HN GLU 25 -3.669 4.132 -5.362 205 HA GLU 25 HA GLU 25 -3.574 6.932 -4.902 206 HB2 GLU 25 HB2 GLU 25 -4.114 4.557 -3.131 207 HB3 GLU 25 HB3 GLU 25 -4.137 6.192 -2.478 208 HG2 GLU 25 HG2 GLU 25 -5.860 5.302 -4.834 209 HG3 GLU 25 HG3 GLU 25 -6.378 5.250 -3.157 210 H PHE 26 HN PHE 26 -1.312 4.333 -3.759 211 HA PHE 26 HA PHE 26 0.198 6.107 -2.130 212 HB2 PHE 26 HB2 PHE 26 0.268 3.605 -2.127 213 HB3 PHE 26 HB3 PHE 26 1.246 3.658 -3.586 214 HD1 PHE 26 HD1 PHE 26 1.117 4.575 0.019 215 HD2 PHE 26 HD2 PHE 26 3.640 4.058 -3.423 216 HE1 PHE 26 HE1 PHE 26 3.103 4.620 1.483 217 HE2 PHE 26 HE2 PHE 26 5.664 4.159 -1.943 218 HZ PHE 26 HZ PHE 26 5.395 4.396 0.492 219 H HIS 27 HN HIS 27 0.103 6.010 -5.615 220 HA HIS 27 HA HIS 27 2.636 7.565 -5.763 221 HB2 HIS 27 HB2 HIS 27 1.009 6.077 -7.832 222 HB3 HIS 27 HB3 HIS 27 2.193 7.301 -8.285 223 HD1 HIS 27 HD1 HIS 27 4.631 6.790 -6.586 224 HD2 HIS 27 HD2 HIS 27 2.220 3.743 -8.220 225 HE1 HIS 27 HE1 HIS 27 6.107 4.698 -6.759 226 H CYS 28 HN CYS 28 -0.475 8.225 -5.055 227 HA CYS 28 HA CYS 28 -0.383 10.868 -6.434 228 HB2 CYS 28 HB2 CYS 28 -2.294 9.469 -7.167 229 HB3 CYS 28 HB3 CYS 28 -2.844 9.337 -5.482 230 HG CYS 28 HG CYS 28 -2.512 11.878 -7.519 231 H LYS 29 HN LYS 29 -1.759 9.259 -3.532 232 HA LYS 29 HA LYS 29 -1.660 11.847 -2.094 233 HB2 LYS 29 HB2 LYS 29 -3.234 9.299 -1.538 234 HB3 LYS 29 HB3 LYS 29 -3.432 10.851 -0.705 235 HG2 LYS 29 HG2 LYS 29 -4.021 11.785 -3.046 236 HG3 LYS 29 HG3 LYS 29 -4.131 10.084 -3.541 237 HD2 LYS 29 HD2 LYS 29 -5.833 9.775 -1.679 238 HD3 LYS 29 HD3 LYS 29 -5.786 11.545 -1.461 239 HE2 LYS 29 HE2 LYS 29 -6.204 11.615 -4.053 240 HE3 LYS 29 HE3 LYS 29 -6.662 9.917 -3.859 241 HZ1 LYS 29 HZ1 LYS 29 -7.959 12.253 -2.605 242 HZ2 LYS 29 HZ2 LYS 29 -8.307 10.669 -2.224 243 HZ3 LYS 29 HZ3 LYS 29 -8.571 11.222 -3.731 244 H LYS 30 HN LYS 30 -1.493 11.585 0.296 245 HA LYS 30 HA LYS 30 0.895 9.935 0.911 246 HB2 LYS 30 HB2 LYS 30 1.325 11.708 2.658 247 HB3 LYS 30 HB3 LYS 30 1.518 12.231 1.007 248 HG2 LYS 30 HG2 LYS 30 -1.120 12.654 2.409 249 HG3 LYS 30 HG3 LYS 30 0.265 13.724 2.746 250 HD2 LYS 30 HD2 LYS 30 0.375 14.049 0.142 251 HD3 LYS 30 HD3 LYS 30 -1.294 13.429 0.165 252 HE2 LYS 30 HE2 LYS 30 -1.708 15.194 2.020 253 HE3 LYS 30 HE3 LYS 30 -0.166 15.897 1.518 254 HZ1 LYS 30 HZ1 LYS 30 -2.612 15.570 -0.095 255 HZ2 LYS 30 HZ2 LYS 30 -1.175 16.077 -0.762 256 HZ3 LYS 30 HZ3 LYS 30 -1.931 16.968 0.399 257 H TYR 31 HN TYR 31 -2.428 10.252 1.760 258 HA TYR 31 HA TYR 31 -2.089 8.270 3.745 259 HB2 TYR 31 HB2 TYR 31 -3.331 9.621 5.555 260 HB3 TYR 31 HB3 TYR 31 -1.620 9.860 5.356 261 HD1 TYR 31 HD2 TYR 31 -4.917 11.404 4.259 262 HD2 TYR 31 HD1 TYR 31 -0.712 11.992 5.015 263 HE1 TYR 31 HE2 TYR 31 -5.247 13.849 4.195 264 HE2 TYR 31 HE1 TYR 31 -1.041 14.434 5.046 265 HH TYR 31 HH TYR 31 -2.671 16.119 5.123 266 H LEU 32 HN LEU 32 -4.284 7.566 4.537 267 HA LEU 32 HA LEU 32 -6.555 8.509 2.821 268 HB2 LEU 32 HB2 LEU 32 -6.035 5.789 4.073 269 HB3 LEU 32 HB3 LEU 32 -7.557 6.260 3.353 270 HG LEU 32 HG LEU 32 -4.919 5.957 1.897 271 HD11 LEU 32 HD11 LEU 32 -6.072 4.001 0.856 272 HD12 LEU 32 HD12 LEU 32 -7.469 4.284 1.890 273 HD13 LEU 32 HD13 LEU 32 -5.905 3.818 2.604 274 HD21 LEU 32 HD21 LEU 32 -6.325 7.674 0.736 275 HD22 LEU 32 HD22 LEU 32 -7.654 6.492 0.669 276 HD23 LEU 32 HD23 LEU 32 -6.160 6.196 -0.208 277 H SER 33 HN SER 33 -7.892 9.743 4.019 278 HA SER 33 HA SER 33 -8.237 9.507 6.939 279 HB2 SER 33 HB2 SER 33 -9.253 11.281 4.752 280 HB3 SER 33 HB3 SER 33 -10.392 10.945 6.059 281 HG SER 33 HG SER 33 -7.708 11.826 6.450 282 H LEU 34 HN LEU 34 -10.793 9.302 7.509 283 HA LEU 34 HA LEU 34 -11.213 6.567 7.495 284 HB2 LEU 34 HB2 LEU 34 -13.026 8.946 8.059 285 HB3 LEU 34 HB3 LEU 34 -13.594 7.301 8.211 286 HG LEU 34 HG LEU 34 -13.005 8.271 10.356 287 HD11 LEU 34 HD11 LEU 34 -12.896 5.839 10.070 288 HD12 LEU 34 HD12 LEU 34 -11.680 6.400 11.226 289 HD13 LEU 34 HD13 LEU 34 -11.192 5.961 9.583 290 HD21 LEU 34 HD21 LEU 34 -11.126 9.719 9.660 291 HD22 LEU 34 HD22 LEU 34 -10.100 8.268 9.472 292 HD23 LEU 34 HD23 LEU 34 -10.753 8.706 11.059 293 H THR 35 HN THR 35 -13.223 8.967 5.661 294 HA THR 35 HA THR 35 -14.678 6.964 4.263 295 HB THR 35 HB THR 35 -14.133 9.904 3.866 296 HG1 THR 35 HG1 THR 35 -15.807 9.942 5.114 297 HG21 THR 35 HG21 THR 35 -15.770 8.167 1.986 298 HG22 THR 35 HG22 THR 35 -14.376 9.207 1.604 299 HG23 THR 35 HG23 THR 35 -15.874 9.936 2.081 300 H GLU 36 HN GLU 36 -11.490 8.300 3.675 301 HA GLU 36 HA GLU 36 -11.311 7.519 0.911 302 HB2 GLU 36 HB2 GLU 36 -8.963 7.849 2.767 303 HB3 GLU 36 HB3 GLU 36 -9.081 8.185 1.075 304 HG2 GLU 36 HG2 GLU 36 -10.073 9.716 3.457 305 HG3 GLU 36 HG3 GLU 36 -9.050 10.324 2.192 306 H ARG 37 HN ARG 37 -10.099 6.183 3.918 307 HA ARG 37 HA ARG 37 -9.278 3.601 3.068 308 HB2 ARG 37 HB2 ARG 37 -10.158 4.809 5.658 309 HB3 ARG 37 HB3 ARG 37 -10.371 3.064 5.539 310 HG2 ARG 37 HG2 ARG 37 -8.077 2.657 5.139 311 HG3 ARG 37 HG3 ARG 37 -7.725 4.353 4.802 312 HD2 ARG 37 HD2 ARG 37 -8.763 3.418 7.495 313 HD3 ARG 37 HD3 ARG 37 -7.040 3.390 7.091 314 HE ARG 37 HE ARG 37 -7.439 5.893 6.479 315 HH11 ARG 37 HH11 ARG 37 -9.203 4.398 9.173 316 HH12 ARG 37 HH12 ARG 37 -8.742 5.590 10.338 317 HH21 ARG 37 HH21 ARG 37 -7.038 7.549 7.843 318 HH22 ARG 37 HH22 ARG 37 -7.665 7.621 9.478 319 H SER 38 HN SER 38 -12.570 4.650 4.070 320 HA SER 38 HA SER 38 -13.892 2.236 3.743 321 HB2 SER 38 HB2 SER 38 -14.764 4.482 4.571 322 HB3 SER 38 HB3 SER 38 -15.040 4.912 2.878 323 HG SER 38 HG SER 38 -16.238 2.906 4.460 324 H GLN 39 HN GLN 39 -13.303 4.704 1.118 325 HA GLN 39 HA GLN 39 -14.542 3.245 -0.949 326 HB2 GLN 39 HB2 GLN 39 -12.276 5.290 -0.979 327 HB3 GLN 39 HB3 GLN 39 -13.124 4.729 -2.422 328 HG2 GLN 39 HG2 GLN 39 -15.159 5.750 -1.779 329 HG3 GLN 39 HG3 GLN 39 -14.663 5.985 -0.116 330 HE21 GLN 39 HE21 GLN 39 -13.462 7.766 0.448 331 HE22 GLN 39 HE22 GLN 39 -12.970 9.043 -0.664 332 H ILE 40 HN ILE 40 -11.008 3.529 -0.248 333 HA ILE 40 HA ILE 40 -10.349 1.654 -2.307 334 HB ILE 40 HB ILE 40 -8.688 2.633 0.043 335 HG12 ILE 40 HG12 ILE 40 -9.397 4.620 -1.005 336 HG13 ILE 40 HG13 ILE 40 -7.792 4.333 -1.620 337 HG21 ILE 40 HG21 ILE 40 -7.792 1.537 -2.671 338 HG22 ILE 40 HG22 ILE 40 -6.715 2.325 -1.502 339 HG23 ILE 40 HG23 ILE 40 -7.494 0.800 -1.099 340 HD11 ILE 40 HD11 ILE 40 -8.881 3.283 -3.678 341 HD12 ILE 40 HD12 ILE 40 -10.444 3.797 -3.007 342 HD13 ILE 40 HD13 ILE 40 -9.221 5.014 -3.448 343 H ALA 41 HN ALA 41 -11.710 1.044 0.544 344 HA ALA 41 HA ALA 41 -10.619 -1.734 0.873 345 HB1 ALA 41 HB1 ALA 41 -10.926 -0.464 2.951 346 HB2 ALA 41 HB2 ALA 41 -12.646 -0.239 2.601 347 HB3 ALA 41 HB3 ALA 41 -11.982 -1.866 2.898 348 H HIS 42 HN HIS 42 -13.793 -0.024 0.508 349 HA HIS 42 HA HIS 42 -15.155 -2.502 0.095 350 HB2 HIS 42 HB2 HIS 42 -15.957 -0.078 0.903 351 HB3 HIS 42 HB3 HIS 42 -16.344 0.118 -0.803 352 HD1 HIS 42 HD1 HIS 42 -17.754 -1.231 2.368 353 HD2 HIS 42 HD2 HIS 42 -18.006 -2.091 -1.763 354 HE1 HIS 42 HE1 HIS 42 -19.810 -2.671 2.058 355 H ALA 43 HN ALA 43 -13.707 -0.118 -2.103 356 HA ALA 43 HA ALA 43 -14.778 -1.059 -4.568 357 HB1 ALA 43 HB1 ALA 43 -12.857 0.119 -5.560 358 HB2 ALA 43 HB2 ALA 43 -13.597 1.102 -4.284 359 HB3 ALA 43 HB3 ALA 43 -12.079 0.234 -3.967 360 H LEU 44 HN LEU 44 -12.524 -2.529 -2.385 361 HA LEU 44 HA LEU 44 -11.497 -4.362 -4.474 362 HB2 LEU 44 HB2 LEU 44 -10.156 -3.513 -1.880 363 HB3 LEU 44 HB3 LEU 44 -9.485 -4.584 -3.108 364 HG LEU 44 HG LEU 44 -10.016 -1.598 -3.396 365 HD11 LEU 44 HD11 LEU 44 -7.586 -1.441 -3.539 366 HD12 LEU 44 HD12 LEU 44 -7.418 -3.205 -3.413 367 HD13 LEU 44 HD13 LEU 44 -8.027 -2.263 -2.044 368 HD21 LEU 44 HD21 LEU 44 -10.428 -2.547 -5.583 369 HD22 LEU 44 HD22 LEU 44 -8.987 -3.577 -5.465 370 HD23 LEU 44 HD23 LEU 44 -8.826 -1.827 -5.571 371 H LYS 45 HN LYS 45 -13.818 -4.265 -2.279 372 HA LYS 45 HA LYS 45 -14.892 -5.635 -0.854 373 HB2 LYS 45 HB2 LYS 45 -13.495 -7.662 -2.609 374 HB3 LYS 45 HB3 LYS 45 -14.556 -8.174 -1.307 375 HG2 LYS 45 HG2 LYS 45 -16.385 -6.775 -2.271 376 HG3 LYS 45 HG3 LYS 45 -15.325 -6.360 -3.637 377 HD2 LYS 45 HD2 LYS 45 -15.188 -8.780 -4.232 378 HD3 LYS 45 HD3 LYS 45 -16.182 -9.172 -2.831 379 HE2 LYS 45 HE2 LYS 45 -17.690 -9.196 -4.636 380 HE3 LYS 45 HE3 LYS 45 -17.993 -7.665 -3.801 381 HZ1 LYS 45 HZ1 LYS 45 -17.917 -7.351 -6.153 382 HZ2 LYS 45 HZ2 LYS 45 -16.449 -8.055 -6.295 383 HZ3 LYS 45 HZ3 LYS 45 -16.575 -6.601 -5.551 384 H LEU 46 HN LEU 46 -11.888 -4.892 -0.259 385 HA LEU 46 HA LEU 46 -11.168 -6.908 1.797 386 HB2 LEU 46 HB2 LEU 46 -9.924 -4.354 0.699 387 HB3 LEU 46 HB3 LEU 46 -9.307 -5.093 2.171 388 HG LEU 46 HG LEU 46 -9.575 -6.696 -0.396 389 HD11 LEU 46 HD11 LEU 46 -7.128 -6.270 -0.709 390 HD12 LEU 46 HD12 LEU 46 -7.220 -5.052 0.582 391 HD13 LEU 46 HD13 LEU 46 -8.124 -4.818 -0.924 392 HD21 LEU 46 HD21 LEU 46 -7.877 -7.039 2.118 393 HD22 LEU 46 HD22 LEU 46 -7.802 -8.055 0.668 394 HD23 LEU 46 HD23 LEU 46 -9.274 -8.042 1.641 395 H SER 47 HN SER 47 -10.667 -6.085 4.038 396 HA SER 47 HA SER 47 -12.711 -4.199 4.980 397 HB2 SER 47 HB2 SER 47 -10.753 -5.098 6.953 398 HB3 SER 47 HB3 SER 47 -12.512 -5.249 6.956 399 HG SER 47 HG SER 47 -12.321 -7.118 5.725 400 H GLU 48 HN GLU 48 -12.081 -2.288 6.163 401 HA GLU 48 HA GLU 48 -10.094 -0.730 4.896 402 HB2 GLU 48 HB2 GLU 48 -11.395 -0.422 7.631 403 HB3 GLU 48 HB3 GLU 48 -10.399 0.812 6.845 404 HG2 GLU 48 HG2 GLU 48 -11.975 1.012 5.006 405 HG3 GLU 48 HG3 GLU 48 -12.950 -0.322 5.625 406 H VAL 49 HN VAL 49 -9.917 -2.583 7.969 407 HA VAL 49 HA VAL 49 -7.365 -1.680 8.735 408 HB VAL 49 HB VAL 49 -8.729 -4.335 9.276 409 HG11 VAL 49 HG11 VAL 49 -7.243 -4.390 11.297 410 HG12 VAL 49 HG12 VAL 49 -6.354 -4.557 9.779 411 HG13 VAL 49 HG13 VAL 49 -6.339 -3.003 10.643 412 HG21 VAL 49 HG21 VAL 49 -8.579 -1.750 10.909 413 HG22 VAL 49 HG22 VAL 49 -10.020 -2.359 10.076 414 HG23 VAL 49 HG23 VAL 49 -9.341 -3.267 11.424 415 H GLN 50 HN GLN 50 -8.227 -4.358 6.499 416 HA GLN 50 HA GLN 50 -5.625 -5.446 6.271 417 HB2 GLN 50 HB2 GLN 50 -7.831 -5.386 4.155 418 HB3 GLN 50 HB3 GLN 50 -6.519 -6.537 4.249 419 HG2 GLN 50 HG2 GLN 50 -8.806 -6.293 6.239 420 HG3 GLN 50 HG3 GLN 50 -8.666 -7.489 4.966 421 HE21 GLN 50 HE21 GLN 50 -7.900 -9.491 5.688 422 HE22 GLN 50 HE22 GLN 50 -6.837 -9.708 7.057 423 H VAL 51 HN VAL 51 -7.323 -3.035 4.204 424 HA VAL 51 HA VAL 51 -5.110 -2.515 2.455 425 HB VAL 51 HB VAL 51 -7.524 -0.890 3.294 426 HG11 VAL 51 HG11 VAL 51 -7.199 0.343 1.113 427 HG12 VAL 51 HG12 VAL 51 -5.925 0.662 2.292 428 HG13 VAL 51 HG13 VAL 51 -5.629 -0.464 0.947 429 HG21 VAL 51 HG21 VAL 51 -8.205 -2.965 2.222 430 HG22 VAL 51 HG22 VAL 51 -8.498 -1.607 1.141 431 HG23 VAL 51 HG23 VAL 51 -7.099 -2.655 0.856 432 H LYS 52 HN LYS 52 -6.279 -0.879 5.424 433 HA LYS 52 HA LYS 52 -4.436 1.196 5.637 434 HB2 LYS 52 HB2 LYS 52 -6.406 1.018 7.001 435 HB3 LYS 52 HB3 LYS 52 -5.888 -0.534 7.644 436 HG2 LYS 52 HG2 LYS 52 -4.105 0.528 8.920 437 HG3 LYS 52 HG3 LYS 52 -4.640 2.119 8.325 438 HD2 LYS 52 HD2 LYS 52 -6.550 2.117 9.670 439 HD3 LYS 52 HD3 LYS 52 -6.761 0.380 9.541 440 HE2 LYS 52 HE2 LYS 52 -6.246 0.776 11.801 441 HE3 LYS 52 HE3 LYS 52 -4.839 0.005 11.076 442 HZ1 LYS 52 HZ1 LYS 52 -3.907 2.329 10.876 443 HZ2 LYS 52 HZ2 LYS 52 -4.065 1.760 12.401 444 HZ3 LYS 52 HZ3 LYS 52 -5.169 2.829 11.837 445 H ILE 53 HN ILE 53 -3.984 -2.245 6.601 446 HA ILE 53 HA ILE 53 -1.375 -1.815 7.740 447 HB ILE 53 HB ILE 53 -2.863 -4.282 6.775 448 HG12 ILE 53 HG12 ILE 53 -1.968 -3.475 9.578 449 HG13 ILE 53 HG13 ILE 53 -3.514 -2.964 8.914 450 HG21 ILE 53 HG21 ILE 53 -0.501 -4.821 6.464 451 HG22 ILE 53 HG22 ILE 53 -0.098 -4.143 8.057 452 HG23 ILE 53 HG23 ILE 53 -1.056 -5.632 7.918 453 HD11 ILE 53 HD11 ILE 53 -2.660 -5.817 9.467 454 HD12 ILE 53 HD12 ILE 53 -3.887 -4.851 10.295 455 HD13 ILE 53 HD13 ILE 53 -4.158 -5.354 8.614 456 H TRP 54 HN TRP 54 -2.538 -2.627 4.420 457 HA TRP 54 HA TRP 54 0.027 -3.283 3.400 458 HB2 TRP 54 HB2 TRP 54 -2.367 -3.612 2.414 459 HB3 TRP 54 HB3 TRP 54 -2.132 -2.024 1.704 460 HD1 TRP 54 HD1 TRP 54 -1.202 -5.622 1.401 461 HE1 TRP 54 HE1 TRP 54 -0.016 -6.069 -0.765 462 HE3 TRP 54 HE3 TRP 54 -0.372 -0.775 0.027 463 HZ2 TRP 54 HZ2 TRP 54 1.264 -4.394 -2.948 464 HZ3 TRP 54 HZ3 TRP 54 0.644 -0.262 -2.159 465 HH2 TRP 54 HH2 TRP 54 1.455 -2.040 -3.614 466 H PHE 55 HN PHE 55 -1.763 -0.162 3.206 467 HA PHE 55 HA PHE 55 0.305 1.349 1.951 468 HB2 PHE 55 HB2 PHE 55 -1.995 2.061 3.856 469 HB3 PHE 55 HB3 PHE 55 -0.874 3.308 3.384 470 HD1 PHE 55 HD2 PHE 55 -3.402 0.912 1.978 471 HD2 PHE 55 HD1 PHE 55 -1.062 4.484 1.326 472 HE1 PHE 55 HE2 PHE 55 -4.809 1.504 0.023 473 HE2 PHE 55 HE1 PHE 55 -2.481 5.049 -0.615 474 HZ PHE 55 HZ PHE 55 -4.382 3.551 -1.245 475 H GLN 56 HN GLN 56 -0.119 0.702 5.510 476 HA GLN 56 HA GLN 56 2.005 2.554 6.206 477 HB2 GLN 56 HB2 GLN 56 2.123 1.468 8.361 478 HB3 GLN 56 HB3 GLN 56 0.429 1.810 7.934 479 HG2 GLN 56 HG2 GLN 56 0.000 -0.397 7.410 480 HG3 GLN 56 HG3 GLN 56 1.693 -0.894 7.585 481 HE21 GLN 56 HE21 GLN 56 -0.813 0.728 9.629 482 HE22 GLN 56 HE22 GLN 56 -0.046 0.016 11.035 483 H ASN 57 HN ASN 57 1.953 -0.893 5.323 484 HA ASN 57 HA ASN 57 4.622 -1.482 6.143 485 HB2 ASN 57 HB2 ASN 57 2.478 -2.794 4.436 486 HB3 ASN 57 HB3 ASN 57 4.118 -3.319 4.178 487 HD21 ASN 57 HD21 ASN 57 1.931 -2.660 7.082 488 HD22 ASN 57 HD22 ASN 57 2.636 -3.958 7.987 489 H GLU 58 HN GLU 58 3.266 -0.046 3.243 490 HA GLU 58 HA GLU 58 5.851 -0.190 1.848 491 HB2 GLU 58 HB2 GLU 58 4.743 0.861 0.024 492 HB3 GLU 58 HB3 GLU 58 3.996 -0.679 0.516 493 HG2 GLU 58 HG2 GLU 58 2.166 0.494 1.441 494 HG3 GLU 58 HG3 GLU 58 3.023 2.035 1.255 495 H ARG 59 HN ARG 59 3.875 2.274 3.537 496 HA ARG 59 HA ARG 59 5.615 4.425 2.752 497 HB2 ARG 59 HB2 ARG 59 3.202 4.307 3.930 498 HB3 ARG 59 HB3 ARG 59 4.139 4.518 5.398 499 HG2 ARG 59 HG2 ARG 59 5.116 6.603 4.541 500 HG3 ARG 59 HG3 ARG 59 4.385 6.340 2.951 501 HD2 ARG 59 HD2 ARG 59 2.133 6.523 3.941 502 HD3 ARG 59 HD3 ARG 59 2.850 6.813 5.527 503 HE ARG 59 HE ARG 59 2.775 8.625 3.179 504 HH11 ARG 59 HH11 ARG 59 3.584 8.324 6.620 505 HH12 ARG 59 HH12 ARG 59 4.072 9.975 6.736 506 HH21 ARG 59 HH21 ARG 59 3.573 10.652 3.307 507 HH22 ARG 59 HH22 ARG 59 4.096 11.368 4.810 508 H ALA 60 HN ALA 60 6.148 1.885 4.783 509 HA ALA 60 HA ALA 60 8.645 3.201 5.821 510 HB1 ALA 60 HB1 ALA 60 9.086 1.106 6.957 511 HB2 ALA 60 HB2 ALA 60 7.561 1.873 7.443 512 HB3 ALA 60 HB3 ALA 60 7.523 0.444 6.372 513 H LYS 61 HN LYS 61 7.829 0.204 3.767 514 HA LYS 61 HA LYS 61 10.557 -0.324 3.380 515 HB2 LYS 61 HB2 LYS 61 9.122 -2.154 3.231 516 HB3 LYS 61 HB3 LYS 61 7.868 -1.240 2.368 517 HG2 LYS 61 HG2 LYS 61 9.011 -1.275 0.398 518 HG3 LYS 61 HG3 LYS 61 10.457 -2.114 1.049 519 HD2 LYS 61 HD2 LYS 61 9.266 -4.174 1.270 520 HD3 LYS 61 HD3 LYS 61 7.709 -3.343 1.328 521 HE2 LYS 61 HE2 LYS 61 7.665 -4.350 -0.760 522 HE3 LYS 61 HE3 LYS 61 8.025 -2.655 -1.079 523 HZ1 LYS 61 HZ1 LYS 61 9.367 -4.152 -2.386 524 HZ2 LYS 61 HZ2 LYS 61 10.023 -4.850 -1.047 525 HZ3 LYS 61 HZ3 LYS 61 10.362 -3.289 -1.390 526 H TRP 62 HN TRP 62 8.238 1.580 1.457 527 HA TRP 62 HA TRP 62 10.077 1.953 -0.765 528 HB2 TRP 62 HB2 TRP 62 7.415 2.376 -0.513 529 HB3 TRP 62 HB3 TRP 62 7.924 3.949 -0.010 530 HD1 TRP 62 HD1 TRP 62 7.180 1.948 -3.018 531 HE1 TRP 62 HE1 TRP 62 7.931 3.016 -5.165 532 HE3 TRP 62 HE3 TRP 62 10.062 5.642 -1.039 533 HZ2 TRP 62 HZ2 TRP 62 9.651 5.264 -5.978 534 HZ3 TRP 62 HZ3 TRP 62 11.464 7.075 -2.505 535 HH2 TRP 62 HH2 TRP 62 11.203 6.949 -4.992 536 H LYS 63 HN LYS 63 9.082 3.876 2.074 537 HA LYS 63 HA LYS 63 10.642 6.161 1.547 538 HB2 LYS 63 HB2 LYS 63 9.413 4.949 4.076 539 HB3 LYS 63 HB3 LYS 63 10.479 6.328 4.202 540 HG2 LYS 63 HG2 LYS 63 8.850 7.166 2.089 541 HG3 LYS 63 HG3 LYS 63 7.733 6.235 3.046 542 HD2 LYS 63 HD2 LYS 63 7.572 8.485 3.804 543 HD3 LYS 63 HD3 LYS 63 8.500 7.664 5.067 544 HE2 LYS 63 HE2 LYS 63 10.595 8.549 4.177 545 HE3 LYS 63 HE3 LYS 63 9.792 9.152 2.723 546 HZ1 LYS 63 HZ1 LYS 63 10.263 10.896 4.346 547 HZ2 LYS 63 HZ2 LYS 63 9.286 10.193 5.450 548 HZ3 LYS 63 HZ3 LYS 63 8.654 10.780 4.065 549 H ARG 64 HN ARG 64 11.656 3.220 3.335 550 HA ARG 64 HA ARG 64 14.106 4.303 4.138 551 HB2 ARG 64 HB2 ARG 64 14.610 2.365 5.036 552 HB3 ARG 64 HB3 ARG 64 12.863 2.148 4.798 553 HG2 ARG 64 HG2 ARG 64 13.404 1.074 2.616 554 HG3 ARG 64 HG3 ARG 64 15.117 1.098 3.110 555 HD2 ARG 64 HD2 ARG 64 14.475 -0.101 5.230 556 HD3 ARG 64 HD3 ARG 64 12.815 -0.216 4.656 557 HE ARG 64 HE ARG 64 13.654 -1.623 2.779 558 HH11 ARG 64 HH11 ARG 64 15.664 -1.474 5.737 559 HH12 ARG 64 HH12 ARG 64 16.151 -3.108 5.647 560 HH21 ARG 64 HH21 ARG 64 14.320 -3.755 2.661 561 HH22 ARG 64 HH22 ARG 64 15.337 -4.482 3.872 562 H ILE 65 HN ILE 65 13.276 3.223 1.034 563 HA ILE 65 HA ILE 65 15.961 2.835 0.054 564 HB ILE 65 HB ILE 65 13.441 3.336 -1.594 565 HG12 ILE 65 HG12 ILE 65 14.597 0.649 -0.720 566 HG13 ILE 65 HG13 ILE 65 13.235 1.454 0.057 567 HG21 ILE 65 HG21 ILE 65 16.179 2.122 -2.210 568 HG22 ILE 65 HG22 ILE 65 14.786 1.982 -3.305 569 HG23 ILE 65 HG23 ILE 65 15.459 3.562 -2.942 570 HD11 ILE 65 HD11 ILE 65 12.324 -0.164 -1.429 571 HD12 ILE 65 HD12 ILE 65 11.983 1.443 -2.102 572 HD13 ILE 65 HD13 ILE 65 13.281 0.440 -2.790 573 H LYS 66 HN LYS 66 13.890 5.720 0.341 574 HA LYS 66 HA LYS 66 14.988 7.327 -1.644 575 HB2 LYS 66 HB2 LYS 66 12.951 7.950 -0.499 576 HB3 LYS 66 HB3 LYS 66 13.797 8.050 1.073 577 HG2 LYS 66 HG2 LYS 66 15.110 9.934 0.142 578 HG3 LYS 66 HG3 LYS 66 14.300 9.672 -1.425 579 HD2 LYS 66 HD2 LYS 66 12.130 10.026 0.198 580 HD3 LYS 66 HD3 LYS 66 13.348 10.946 1.107 581 HE2 LYS 66 HE2 LYS 66 13.848 11.800 -1.457 582 HE3 LYS 66 HE3 LYS 66 12.145 11.353 -1.574 583 HZ1 LYS 66 HZ1 LYS 66 12.435 13.713 -0.941 584 HZ2 LYS 66 HZ2 LYS 66 13.389 13.293 0.311 585 HZ3 LYS 66 HZ3 LYS 66 11.795 12.898 0.355 586 H ALA 67 HN ALA 67 16.501 6.282 1.246 587 HA ALA 67 HA ALA 67 18.580 6.359 1.975 588 HB1 ALA 67 HB1 ALA 67 20.441 7.273 0.798 589 HB2 ALA 67 HB2 ALA 67 19.417 6.387 -0.344 590 HB3 ALA 67 HB3 ALA 67 19.415 8.163 -0.315 591 H GLY 68 HN GLY 68 17.719 7.400 3.818 592 HA2 GLY 68 HA1 GLY 68 17.674 10.344 4.027 593 HA3 GLY 68 HA2 GLY 68 17.273 9.150 5.277 594 H ASN 69 HN ASN 69 20.233 9.388 3.303 595 HA ASN 69 HA ASN 69 22.040 9.976 5.496 596 HB2 ASN 69 HB2 ASN 69 21.369 7.649 6.043 597 HB3 ASN 69 HB3 ASN 69 21.738 7.173 4.382 598 HD21 ASN 69 HD21 ASN 69 24.083 9.355 6.142 599 HD22 ASN 69 HD22 ASN 69 25.214 8.092 6.370 600 H VAL 70 HN VAL 70 21.554 11.264 3.142 601 HA VAL 70 HA VAL 70 23.743 10.591 1.261 602 HB VAL 70 HB VAL 70 21.719 11.371 0.284 603 HG11 VAL 70 HG11 VAL 70 21.939 13.883 1.979 604 HG12 VAL 70 HG12 VAL 70 20.842 13.674 0.595 605 HG13 VAL 70 HG13 VAL 70 20.647 12.656 2.010 606 HG21 VAL 70 HG21 VAL 70 22.478 13.063 -1.177 607 HG22 VAL 70 HG22 VAL 70 23.612 13.719 0.013 608 HG23 VAL 70 HG23 VAL 70 23.913 12.138 -0.718 609 H SER 71 HN SER 71 23.648 11.566 4.362 610 HA SER 71 HA SER 71 26.118 13.106 4.292 611 HB2 SER 71 HB2 SER 71 24.965 14.624 6.069 612 HB3 SER 71 HB3 SER 71 24.699 14.976 4.347 613 HG SER 71 HG SER 71 22.950 13.592 6.122 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 1.837 1.454 18.590 2 HA2 GLY 1 HA1 GLY 1 3.926 2.436 17.753 3 HA3 GLY 1 HA2 GLY 1 4.663 1.978 19.303 4 H ALA 2 HN ALA 2 5.755 0.119 19.330 5 HA ALA 2 HA ALA 2 6.877 -1.626 18.531 6 HB1 ALA 2 HB1 ALA 2 5.546 -3.665 18.288 7 HB2 ALA 2 HB2 ALA 2 5.011 -2.691 19.677 8 HB3 ALA 2 HB3 ALA 2 4.065 -2.686 18.171 9 HA PRO 3 HA PRO 3 6.535 -0.886 13.956 10 HB2 PRO 3 HB2 PRO 3 8.961 0.283 13.583 11 HB3 PRO 3 HB3 PRO 3 7.504 1.228 14.030 12 HG2 PRO 3 HG2 PRO 3 9.725 0.239 15.836 13 HG3 PRO 3 HG3 PRO 3 8.984 1.869 15.780 14 HD2 PRO 3 HD2 PRO 3 8.206 -0.038 17.583 15 HD3 PRO 3 HD3 PRO 3 7.057 1.143 16.901 16 H GLY 4 HN GLY 4 7.921 -2.007 12.403 17 HA2 GLY 4 HA1 GLY 4 9.838 -3.465 11.935 18 HA3 GLY 4 HA2 GLY 4 9.666 -4.149 13.559 19 H GLY 5 HN GLY 5 8.560 -4.281 10.296 20 HA2 GLY 5 HA1 GLY 5 6.376 -6.215 10.926 21 HA3 GLY 5 HA2 GLY 5 6.578 -5.344 9.414 22 H LYS 6 HN LYS 6 6.294 -8.076 9.280 23 HA LYS 6 HA LYS 6 8.798 -9.472 9.226 24 HB2 LYS 6 HB2 LYS 6 7.608 -11.193 7.955 25 HB3 LYS 6 HB3 LYS 6 6.717 -10.705 9.379 26 HG2 LYS 6 HG2 LYS 6 5.086 -9.513 8.075 27 HG3 LYS 6 HG3 LYS 6 6.088 -9.596 6.609 28 HD2 LYS 6 HD2 LYS 6 5.838 -12.017 6.488 29 HD3 LYS 6 HD3 LYS 6 5.012 -12.055 8.048 30 HE2 LYS 6 HE2 LYS 6 3.431 -12.323 6.210 31 HE3 LYS 6 HE3 LYS 6 3.095 -10.861 7.145 32 HZ1 LYS 6 HZ1 LYS 6 4.595 -10.838 4.588 33 HZ2 LYS 6 HZ2 LYS 6 4.004 -9.542 5.443 34 HZ3 LYS 6 HZ3 LYS 6 2.956 -10.574 4.743 35 H SER 7 HN SER 7 9.537 -10.535 7.084 36 HA SER 7 HA SER 7 9.782 -8.468 4.934 37 HB2 SER 7 HB2 SER 7 11.869 -9.797 6.617 38 HB3 SER 7 HB3 SER 7 12.259 -9.579 4.896 39 HG SER 7 HG SER 7 12.396 -7.733 6.729 40 H ARG 8 HN ARG 8 8.175 -11.108 5.146 41 HA ARG 8 HA ARG 8 8.977 -11.990 2.453 42 HB2 ARG 8 HB2 ARG 8 10.057 -13.509 4.020 43 HB3 ARG 8 HB3 ARG 8 8.501 -13.931 4.767 44 HG2 ARG 8 HG2 ARG 8 7.830 -15.144 2.845 45 HG3 ARG 8 HG3 ARG 8 9.003 -14.319 1.804 46 HD2 ARG 8 HD2 ARG 8 9.887 -16.168 4.038 47 HD3 ARG 8 HD3 ARG 8 9.493 -16.746 2.426 48 HE ARG 8 HE ARG 8 11.204 -15.397 1.464 49 HH11 ARG 8 HH11 ARG 8 11.583 -15.623 5.044 50 HH12 ARG 8 HH12 ARG 8 13.309 -15.405 4.911 51 HH21 ARG 8 HH21 ARG 8 13.420 -15.204 1.431 52 HH22 ARG 8 HH22 ARG 8 14.332 -15.130 2.919 53 H ARG 9 HN ARG 9 7.196 -13.303 1.449 54 HA ARG 9 HA ARG 9 5.208 -13.162 0.472 55 HB2 ARG 9 HB2 ARG 9 3.832 -12.757 3.140 56 HB3 ARG 9 HB3 ARG 9 3.169 -13.356 1.637 57 HG2 ARG 9 HG2 ARG 9 3.529 -15.418 2.496 58 HG3 ARG 9 HG3 ARG 9 5.179 -15.170 1.991 59 HD2 ARG 9 HD2 ARG 9 5.668 -15.645 4.145 60 HD3 ARG 9 HD3 ARG 9 5.294 -13.957 4.457 61 HE ARG 9 HE ARG 9 2.843 -15.046 4.683 62 HH11 ARG 9 HH11 ARG 9 5.848 -16.544 5.869 63 HH12 ARG 9 HH12 ARG 9 5.119 -17.179 7.306 64 HH21 ARG 9 HH21 ARG 9 1.879 -15.914 6.606 65 HH22 ARG 9 HH22 ARG 9 2.805 -16.916 7.661 66 H ARG 10 HN ARG 10 6.770 -11.018 0.316 67 HA ARG 10 HA ARG 10 5.381 -8.545 1.017 68 HB2 ARG 10 HB2 ARG 10 7.795 -9.055 -0.762 69 HB3 ARG 10 HB3 ARG 10 7.253 -7.483 -0.155 70 HG2 ARG 10 HG2 ARG 10 7.560 -8.374 2.206 71 HG3 ARG 10 HG3 ARG 10 8.330 -9.798 1.514 72 HD2 ARG 10 HD2 ARG 10 9.281 -6.934 1.386 73 HD3 ARG 10 HD3 ARG 10 10.085 -8.285 2.172 74 HE ARG 10 HE ARG 10 9.870 -7.708 -0.737 75 HH11 ARG 10 HH11 ARG 10 11.290 -9.929 1.657 76 HH12 ARG 10 HH12 ARG 10 12.438 -10.572 0.522 77 HH21 ARG 10 HH21 ARG 10 11.205 -8.521 -2.132 78 HH22 ARG 10 HH22 ARG 10 12.392 -9.747 -1.798 79 H ARG 11 HN ARG 11 3.724 -10.320 -0.570 80 HA ARG 11 HA ARG 11 2.818 -8.450 -2.554 81 HB2 ARG 11 HB2 ARG 11 4.331 -10.025 -3.890 82 HB3 ARG 11 HB3 ARG 11 3.363 -11.364 -3.303 83 HG2 ARG 11 HG2 ARG 11 2.520 -11.004 -5.422 84 HG3 ARG 11 HG3 ARG 11 1.335 -10.185 -4.433 85 HD2 ARG 11 HD2 ARG 11 2.446 -8.001 -4.926 86 HD3 ARG 11 HD3 ARG 11 3.653 -8.865 -5.884 87 HE ARG 11 HE ARG 11 0.944 -9.395 -6.795 88 HH11 ARG 11 HH11 ARG 11 3.726 -7.217 -7.203 89 HH12 ARG 11 HH12 ARG 11 2.904 -6.228 -8.374 90 HH21 ARG 11 HH21 ARG 11 0.173 -8.472 -8.665 91 HH22 ARG 11 HH22 ARG 11 1.096 -7.287 -9.560 92 H THR 12 HN THR 12 0.496 -8.747 -2.671 93 HA THR 12 HA THR 12 -0.673 -10.951 -1.061 94 HB THR 12 HB THR 12 -1.672 -8.142 -1.224 95 HG1 THR 12 HG1 THR 12 -0.671 -7.671 0.584 96 HG21 THR 12 HG21 THR 12 -2.372 -10.444 0.655 97 HG22 THR 12 HG22 THR 12 -3.439 -9.704 -0.565 98 HG23 THR 12 HG23 THR 12 -2.946 -8.776 0.854 99 H ALA 13 HN ALA 13 -2.821 -11.607 -1.883 100 HA ALA 13 HA ALA 13 -3.118 -11.514 -4.740 101 HB1 ALA 13 HB1 ALA 13 -5.128 -12.241 -2.567 102 HB2 ALA 13 HB2 ALA 13 -5.305 -12.552 -4.304 103 HB3 ALA 13 HB3 ALA 13 -4.015 -13.346 -3.386 104 H PHE 14 HN PHE 14 -3.114 -9.430 -5.490 105 HA PHE 14 HA PHE 14 -5.597 -7.897 -5.097 106 HB2 PHE 14 HB2 PHE 14 -2.790 -6.814 -5.386 107 HB3 PHE 14 HB3 PHE 14 -4.185 -5.917 -5.938 108 HD1 PHE 14 HD1 PHE 14 -3.408 -7.796 -2.756 109 HD2 PHE 14 HD2 PHE 14 -4.797 -4.154 -4.538 110 HE1 PHE 14 HE1 PHE 14 -3.704 -6.845 -0.504 111 HE2 PHE 14 HE2 PHE 14 -5.210 -3.254 -2.270 112 HZ PHE 14 HZ PHE 14 -4.606 -4.555 -0.264 113 H THR 15 HN THR 15 -6.603 -7.420 -7.142 114 HA THR 15 HA THR 15 -5.375 -8.676 -9.517 115 HB THR 15 HB THR 15 -7.604 -7.912 -10.525 116 HG1 THR 15 HG1 THR 15 -9.228 -7.393 -9.065 117 HG21 THR 15 HG21 THR 15 -8.905 -9.711 -9.527 118 HG22 THR 15 HG22 THR 15 -7.858 -9.729 -8.097 119 HG23 THR 15 HG23 THR 15 -7.220 -10.260 -9.672 120 H SER 16 HN SER 16 -5.381 -7.272 -11.547 121 HA SER 16 HA SER 16 -3.776 -4.956 -11.213 122 HB2 SER 16 HB2 SER 16 -5.583 -5.564 -13.550 123 HB3 SER 16 HB3 SER 16 -4.043 -4.703 -13.539 124 HG SER 16 HG SER 16 -4.164 -6.969 -14.330 125 H GLU 17 HN GLU 17 -7.191 -5.510 -11.480 126 HA GLU 17 HA GLU 17 -8.413 -3.092 -11.999 127 HB2 GLU 17 HB2 GLU 17 -8.983 -5.740 -11.251 128 HB3 GLU 17 HB3 GLU 17 -9.533 -4.880 -9.839 129 HG2 GLU 17 HG2 GLU 17 -10.402 -3.974 -12.597 130 HG3 GLU 17 HG3 GLU 17 -11.087 -5.439 -11.923 131 H GLN 18 HN GLN 18 -7.270 -4.439 -8.918 132 HA GLN 18 HA GLN 18 -8.239 -2.196 -7.299 133 HB2 GLN 18 HB2 GLN 18 -6.569 -4.653 -6.577 134 HB3 GLN 18 HB3 GLN 18 -7.459 -3.622 -5.445 135 HG2 GLN 18 HG2 GLN 18 -9.631 -4.400 -6.433 136 HG3 GLN 18 HG3 GLN 18 -8.780 -5.289 -7.634 137 HE21 GLN 18 HE21 GLN 18 -10.526 -6.069 -4.987 138 HE22 GLN 18 HE22 GLN 18 -9.613 -7.452 -4.493 139 H LEU 19 HN LEU 19 -5.241 -3.489 -8.720 140 HA LEU 19 HA LEU 19 -3.429 -1.807 -7.209 141 HB2 LEU 19 HB2 LEU 19 -3.216 -3.377 -9.807 142 HB3 LEU 19 HB3 LEU 19 -1.880 -2.481 -9.157 143 HG LEU 19 HG LEU 19 -3.263 -4.841 -7.820 144 HD11 LEU 19 HD11 LEU 19 -1.773 -5.366 -9.744 145 HD12 LEU 19 HD12 LEU 19 -1.181 -6.010 -8.207 146 HD13 LEU 19 HD13 LEU 19 -0.435 -4.541 -8.874 147 HD21 LEU 19 HD21 LEU 19 -0.890 -3.250 -6.787 148 HD22 LEU 19 HD22 LEU 19 -1.487 -4.786 -6.125 149 HD23 LEU 19 HD23 LEU 19 -2.501 -3.351 -6.028 150 H LEU 20 HN LEU 20 -5.641 -1.063 -9.635 151 HA LEU 20 HA LEU 20 -4.207 1.050 -11.012 152 HB2 LEU 20 HB2 LEU 20 -6.575 -0.398 -11.415 153 HB3 LEU 20 HB3 LEU 20 -7.216 1.069 -10.765 154 HG LEU 20 HG LEU 20 -7.353 1.324 -13.060 155 HD11 LEU 20 HD11 LEU 20 -5.968 3.149 -13.704 156 HD12 LEU 20 HD12 LEU 20 -4.724 2.731 -12.518 157 HD13 LEU 20 HD13 LEU 20 -6.315 3.335 -11.978 158 HD21 LEU 20 HD21 LEU 20 -4.502 0.269 -13.251 159 HD22 LEU 20 HD22 LEU 20 -5.500 0.822 -14.621 160 HD23 LEU 20 HD23 LEU 20 -6.029 -0.568 -13.647 161 H GLU 21 HN GLU 21 -6.790 0.998 -8.564 162 HA GLU 21 HA GLU 21 -6.912 3.840 -8.347 163 HB2 GLU 21 HB2 GLU 21 -8.032 1.742 -6.442 164 HB3 GLU 21 HB3 GLU 21 -8.606 3.392 -6.642 165 HG2 GLU 21 HG2 GLU 21 -8.834 1.056 -8.573 166 HG3 GLU 21 HG3 GLU 21 -10.144 1.960 -7.800 167 H LEU 22 HN LEU 22 -5.575 1.301 -6.295 168 HA LEU 22 HA LEU 22 -4.623 2.901 -4.145 169 HB2 LEU 22 HB2 LEU 22 -4.174 0.168 -5.335 170 HB3 LEU 22 HB3 LEU 22 -2.718 0.791 -4.617 171 HG LEU 22 HG LEU 22 -3.665 0.889 -2.422 172 HD11 LEU 22 HD11 LEU 22 -6.295 0.252 -3.797 173 HD12 LEU 22 HD12 LEU 22 -5.927 1.674 -2.814 174 HD13 LEU 22 HD13 LEU 22 -6.048 0.081 -2.051 175 HD21 LEU 22 HD21 LEU 22 -4.689 -1.667 -3.721 176 HD22 LEU 22 HD22 LEU 22 -3.991 -1.450 -2.083 177 HD23 LEU 22 HD23 LEU 22 -2.976 -1.350 -3.525 178 H ARG 23 HN ARG 23 -3.354 2.794 -7.441 179 HA ARG 23 HA ARG 23 -0.653 3.598 -6.554 180 HB2 ARG 23 HB2 ARG 23 -2.099 3.447 -9.254 181 HB3 ARG 23 HB3 ARG 23 -0.549 4.294 -9.082 182 HG2 ARG 23 HG2 ARG 23 0.574 2.260 -8.396 183 HG3 ARG 23 HG3 ARG 23 -0.978 1.460 -8.201 184 HD2 ARG 23 HD2 ARG 23 -0.175 0.655 -10.266 185 HD3 ARG 23 HD3 ARG 23 -1.392 1.843 -10.707 186 HE ARG 23 HE ARG 23 0.751 3.428 -10.770 187 HH11 ARG 23 HH11 ARG 23 0.282 0.211 -12.220 188 HH12 ARG 23 HH12 ARG 23 1.593 0.406 -13.350 189 HH21 ARG 23 HH21 ARG 23 2.564 3.616 -12.210 190 HH22 ARG 23 HH22 ARG 23 2.780 2.375 -13.405 191 H LYS 24 HN LYS 24 -3.765 4.966 -7.613 192 HA LYS 24 HA LYS 24 -2.711 7.645 -7.751 193 HB2 LYS 24 HB2 LYS 24 -5.664 6.934 -7.605 194 HB3 LYS 24 HB3 LYS 24 -4.911 8.379 -8.283 195 HG2 LYS 24 HG2 LYS 24 -3.766 6.746 -9.957 196 HG3 LYS 24 HG3 LYS 24 -4.942 5.565 -9.374 197 HD2 LYS 24 HD2 LYS 24 -6.138 6.286 -11.108 198 HD3 LYS 24 HD3 LYS 24 -6.674 7.552 -9.994 199 HE2 LYS 24 HE2 LYS 24 -4.976 9.101 -10.891 200 HE3 LYS 24 HE3 LYS 24 -4.245 7.799 -11.845 201 HZ1 LYS 24 HZ1 LYS 24 -6.330 7.664 -13.099 202 HZ2 LYS 24 HZ2 LYS 24 -5.605 9.152 -13.234 203 HZ3 LYS 24 HZ3 LYS 24 -6.921 8.969 -12.292 204 H GLU 25 HN GLU 25 -3.609 5.554 -5.172 205 HA GLU 25 HA GLU 25 -3.664 7.968 -3.495 206 HB2 GLU 25 HB2 GLU 25 -5.051 7.297 -2.038 207 HB3 GLU 25 HB3 GLU 25 -5.861 6.760 -3.564 208 HG2 GLU 25 HG2 GLU 25 -6.012 4.658 -2.863 209 HG3 GLU 25 HG3 GLU 25 -4.538 4.769 -1.891 210 H PHE 26 HN PHE 26 -1.696 5.392 -4.133 211 HA PHE 26 HA PHE 26 -0.420 4.759 -1.819 212 HB2 PHE 26 HB2 PHE 26 0.223 3.905 -4.007 213 HB3 PHE 26 HB3 PHE 26 0.651 5.514 -4.572 214 HD1 PHE 26 HD2 PHE 26 1.530 3.569 -1.455 215 HD2 PHE 26 HD1 PHE 26 2.962 5.564 -5.018 216 HE1 PHE 26 HE2 PHE 26 3.839 3.162 -0.762 217 HE2 PHE 26 HE1 PHE 26 5.295 5.136 -4.307 218 HZ PHE 26 HZ PHE 26 5.741 3.900 -2.219 219 H HIS 27 HN HIS 27 -0.029 7.722 -3.714 220 HA HIS 27 HA HIS 27 1.572 8.982 -1.565 221 HB2 HIS 27 HB2 HIS 27 2.525 10.370 -3.326 222 HB3 HIS 27 HB3 HIS 27 2.765 8.651 -3.599 223 HD1 HIS 27 HD1 HIS 27 1.291 11.679 -5.324 224 HD2 HIS 27 HD2 HIS 27 1.486 7.480 -5.703 225 HE1 HIS 27 HE1 HIS 27 0.650 11.139 -7.704 226 H CYS 28 HN CYS 28 -1.546 8.854 -2.131 227 HA CYS 28 HA CYS 28 -2.320 11.647 -2.432 228 HB2 CYS 28 HB2 CYS 28 -3.870 9.938 -3.064 229 HB3 CYS 28 HB3 CYS 28 -3.789 9.168 -1.450 230 HG CYS 28 HG CYS 28 -6.129 10.331 -1.985 231 H LYS 29 HN LYS 29 -1.708 9.471 0.354 232 HA LYS 29 HA LYS 29 -1.603 11.875 2.098 233 HB2 LYS 29 HB2 LYS 29 -3.169 9.302 2.575 234 HB3 LYS 29 HB3 LYS 29 -2.680 10.356 3.900 235 HG2 LYS 29 HG2 LYS 29 -3.949 12.190 3.105 236 HG3 LYS 29 HG3 LYS 29 -4.281 11.422 1.552 237 HD2 LYS 29 HD2 LYS 29 -5.228 10.214 4.182 238 HD3 LYS 29 HD3 LYS 29 -6.145 11.413 3.269 239 HE2 LYS 29 HE2 LYS 29 -5.809 9.821 1.221 240 HE3 LYS 29 HE3 LYS 29 -5.468 8.598 2.451 241 HZ1 LYS 29 HZ1 LYS 29 -7.794 8.598 1.982 242 HZ2 LYS 29 HZ2 LYS 29 -7.938 10.220 2.200 243 HZ3 LYS 29 HZ3 LYS 29 -7.607 9.268 3.485 244 H LYS 30 HN LYS 30 -0.285 11.611 3.904 245 HA LYS 30 HA LYS 30 1.907 9.858 3.708 246 HB2 LYS 30 HB2 LYS 30 2.511 10.571 5.918 247 HB3 LYS 30 HB3 LYS 30 1.942 11.928 4.989 248 HG2 LYS 30 HG2 LYS 30 -0.373 11.209 6.310 249 HG3 LYS 30 HG3 LYS 30 0.869 10.700 7.439 250 HD2 LYS 30 HD2 LYS 30 1.991 12.948 7.181 251 HD3 LYS 30 HD3 LYS 30 0.529 13.520 6.412 252 HE2 LYS 30 HE2 LYS 30 0.660 12.302 9.224 253 HE3 LYS 30 HE3 LYS 30 0.819 14.036 8.868 254 HZ1 LYS 30 HZ1 LYS 30 -1.423 13.635 9.444 255 HZ2 LYS 30 HZ2 LYS 30 -1.623 12.430 8.341 256 HZ3 LYS 30 HZ3 LYS 30 -1.382 13.979 7.879 257 H TYR 31 HN TYR 31 -1.123 9.478 5.681 258 HA TYR 31 HA TYR 31 -0.961 6.722 5.088 259 HB2 TYR 31 HB2 TYR 31 -0.975 5.896 7.439 260 HB3 TYR 31 HB3 TYR 31 0.539 6.655 6.992 261 HD1 TYR 31 HD1 TYR 31 -2.595 7.154 8.916 262 HD2 TYR 31 HD2 TYR 31 1.368 8.638 8.119 263 HE1 TYR 31 HE1 TYR 31 -2.781 8.633 10.868 264 HE2 TYR 31 HE2 TYR 31 1.165 10.176 10.047 265 HH TYR 31 HH TYR 31 -0.125 10.316 12.219 266 H LEU 32 HN LEU 32 -2.863 5.530 5.853 267 HA LEU 32 HA LEU 32 -5.310 7.185 5.987 268 HB2 LEU 32 HB2 LEU 32 -4.685 4.230 5.541 269 HB3 LEU 32 HB3 LEU 32 -6.310 4.785 5.893 270 HG LEU 32 HG LEU 32 -6.344 6.181 3.887 271 HD11 LEU 32 HD11 LEU 32 -4.276 6.858 3.288 272 HD12 LEU 32 HD12 LEU 32 -4.459 5.487 2.169 273 HD13 LEU 32 HD13 LEU 32 -3.500 5.303 3.623 274 HD21 LEU 32 HD21 LEU 32 -6.465 4.331 2.252 275 HD22 LEU 32 HD22 LEU 32 -7.175 3.853 3.785 276 HD23 LEU 32 HD23 LEU 32 -5.545 3.287 3.349 277 H SER 33 HN SER 33 -6.909 6.722 7.601 278 HA SER 33 HA SER 33 -5.999 5.213 10.017 279 HB2 SER 33 HB2 SER 33 -6.801 7.821 9.959 280 HB3 SER 33 HB3 SER 33 -8.352 7.009 10.265 281 HG SER 33 HG SER 33 -7.392 7.331 12.224 282 H LEU 34 HN LEU 34 -8.446 4.660 11.205 283 HA LEU 34 HA LEU 34 -8.983 2.186 9.855 284 HB2 LEU 34 HB2 LEU 34 -10.257 3.674 12.164 285 HB3 LEU 34 HB3 LEU 34 -10.976 2.223 11.553 286 HG LEU 34 HG LEU 34 -9.571 2.021 13.621 287 HD11 LEU 34 HD11 LEU 34 -8.834 0.288 11.246 288 HD12 LEU 34 HD12 LEU 34 -10.238 0.081 12.312 289 HD13 LEU 34 HD13 LEU 34 -8.604 -0.146 12.956 290 HD21 LEU 34 HD21 LEU 34 -7.173 1.809 13.481 291 HD22 LEU 34 HD22 LEU 34 -7.640 3.422 12.945 292 HD23 LEU 34 HD23 LEU 34 -7.179 2.185 11.746 293 H THR 35 HN THR 35 -10.710 5.321 10.075 294 HA THR 35 HA THR 35 -13.064 4.687 8.716 295 HB THR 35 HB THR 35 -11.550 7.273 8.277 296 HG1 THR 35 HG1 THR 35 -12.336 6.292 10.763 297 HG21 THR 35 HG21 THR 35 -13.776 8.288 8.505 298 HG22 THR 35 HG22 THR 35 -14.481 6.709 8.935 299 HG23 THR 35 HG23 THR 35 -13.837 6.986 7.304 300 H GLU 36 HN GLU 36 -9.983 5.959 7.334 301 HA GLU 36 HA GLU 36 -10.896 5.866 4.633 302 HB2 GLU 36 HB2 GLU 36 -8.128 6.066 5.866 303 HB3 GLU 36 HB3 GLU 36 -8.506 6.328 4.171 304 HG2 GLU 36 HG2 GLU 36 -9.687 8.295 4.531 305 HG3 GLU 36 HG3 GLU 36 -9.990 7.944 6.249 306 H ARG 37 HN ARG 37 -8.867 3.661 6.566 307 HA ARG 37 HA ARG 37 -8.265 1.862 4.405 308 HB2 ARG 37 HB2 ARG 37 -8.283 1.598 7.423 309 HB3 ARG 37 HB3 ARG 37 -8.081 0.157 6.420 310 HG2 ARG 37 HG2 ARG 37 -6.059 0.832 5.509 311 HG3 ARG 37 HG3 ARG 37 -6.379 2.542 5.775 312 HD2 ARG 37 HD2 ARG 37 -6.084 2.247 8.201 313 HD3 ARG 37 HD3 ARG 37 -5.679 0.538 7.943 314 HE ARG 37 HE ARG 37 -3.949 1.903 6.280 315 HH11 ARG 37 HH11 ARG 37 -4.658 2.170 9.737 316 HH12 ARG 37 HH12 ARG 37 -3.086 2.764 10.172 317 HH21 ARG 37 HH21 ARG 37 -1.746 2.617 6.896 318 HH22 ARG 37 HH22 ARG 37 -1.467 3.037 8.541 319 H SER 38 HN SER 38 -11.186 2.085 6.470 320 HA SER 38 HA SER 38 -12.331 -0.332 5.483 321 HB2 SER 38 HB2 SER 38 -13.112 1.564 7.315 322 HB3 SER 38 HB3 SER 38 -14.231 1.878 5.983 323 HG SER 38 HG SER 38 -13.687 -0.578 7.335 324 H GLN 39 HN GLN 39 -12.477 3.035 4.193 325 HA GLN 39 HA GLN 39 -14.339 2.456 2.147 326 HB2 GLN 39 HB2 GLN 39 -12.125 4.574 2.270 327 HB3 GLN 39 HB3 GLN 39 -13.469 4.592 1.131 328 HG2 GLN 39 HG2 GLN 39 -15.061 5.078 2.827 329 HG3 GLN 39 HG3 GLN 39 -13.985 4.586 4.116 330 HE21 GLN 39 HE21 GLN 39 -13.225 6.199 5.244 331 HE22 GLN 39 HE22 GLN 39 -12.748 7.817 4.645 332 H ILE 40 HN ILE 40 -10.797 2.805 1.888 333 HA ILE 40 HA ILE 40 -10.725 2.033 -0.875 334 HB ILE 40 HB ILE 40 -8.417 2.242 1.105 335 HG12 ILE 40 HG12 ILE 40 -9.696 4.264 1.426 336 HG13 ILE 40 HG13 ILE 40 -8.253 4.600 0.544 337 HG21 ILE 40 HG21 ILE 40 -8.526 2.689 -1.922 338 HG22 ILE 40 HG22 ILE 40 -7.187 3.252 -0.933 339 HG23 ILE 40 HG23 ILE 40 -7.550 1.516 -1.025 340 HD11 ILE 40 HD11 ILE 40 -10.229 5.784 -0.377 341 HD12 ILE 40 HD12 ILE 40 -9.545 4.654 -1.569 342 HD13 ILE 40 HD13 ILE 40 -11.024 4.213 -0.660 343 H ALA 41 HN ALA 41 -11.213 0.191 1.646 344 HA ALA 41 HA ALA 41 -9.967 -2.273 0.440 345 HB1 ALA 41 HB1 ALA 41 -9.415 -1.965 2.830 346 HB2 ALA 41 HB2 ALA 41 -11.147 -1.995 3.235 347 HB3 ALA 41 HB3 ALA 41 -10.362 -3.430 2.536 348 H HIS 42 HN HIS 42 -13.042 -0.962 1.806 349 HA HIS 42 HA HIS 42 -14.621 -3.205 1.071 350 HB2 HIS 42 HB2 HIS 42 -15.194 -1.495 2.771 351 HB3 HIS 42 HB3 HIS 42 -15.333 -0.271 1.512 352 HD1 HIS 42 HD1 HIS 42 -17.558 -1.844 3.617 353 HD2 HIS 42 HD2 HIS 42 -17.329 -1.473 -0.583 354 HE1 HIS 42 HE1 HIS 42 -19.944 -2.134 2.692 355 H ALA 43 HN ALA 43 -13.879 -0.089 -0.607 356 HA ALA 43 HA ALA 43 -15.699 -0.457 -2.768 357 HB1 ALA 43 HB1 ALA 43 -14.664 1.712 -2.178 358 HB2 ALA 43 HB2 ALA 43 -13.064 1.075 -2.617 359 HB3 ALA 43 HB3 ALA 43 -14.313 1.276 -3.863 360 H LEU 44 HN LEU 44 -12.573 -1.849 -2.091 361 HA LEU 44 HA LEU 44 -12.333 -2.977 -4.837 362 HB2 LEU 44 HB2 LEU 44 -10.249 -2.753 -2.631 363 HB3 LEU 44 HB3 LEU 44 -9.986 -3.353 -4.272 364 HG LEU 44 HG LEU 44 -10.718 -0.491 -3.494 365 HD11 LEU 44 HD11 LEU 44 -8.380 -1.175 -3.006 366 HD12 LEU 44 HD12 LEU 44 -8.515 0.091 -4.231 367 HD13 LEU 44 HD13 LEU 44 -8.157 -1.578 -4.725 368 HD21 LEU 44 HD21 LEU 44 -10.262 0.040 -5.911 369 HD22 LEU 44 HD22 LEU 44 -11.720 -0.915 -5.665 370 HD23 LEU 44 HD23 LEU 44 -10.244 -1.708 -6.255 371 H LYS 45 HN LYS 45 -13.879 -3.793 -2.154 372 HA LYS 45 HA LYS 45 -14.442 -5.534 -0.977 373 HB2 LYS 45 HB2 LYS 45 -14.432 -6.381 -3.737 374 HB3 LYS 45 HB3 LYS 45 -13.977 -7.764 -2.748 375 HG2 LYS 45 HG2 LYS 45 -15.959 -7.238 -1.230 376 HG3 LYS 45 HG3 LYS 45 -16.377 -5.942 -2.360 377 HD2 LYS 45 HD2 LYS 45 -16.356 -7.861 -4.175 378 HD3 LYS 45 HD3 LYS 45 -16.398 -8.953 -2.784 379 HE2 LYS 45 HE2 LYS 45 -18.680 -8.564 -3.495 380 HE3 LYS 45 HE3 LYS 45 -18.449 -7.743 -1.948 381 HZ1 LYS 45 HZ1 LYS 45 -19.610 -6.404 -3.632 382 HZ2 LYS 45 HZ2 LYS 45 -18.299 -6.457 -4.601 383 HZ3 LYS 45 HZ3 LYS 45 -18.218 -5.666 -3.146 384 H LEU 46 HN LEU 46 -11.516 -4.934 -0.909 385 HA LEU 46 HA LEU 46 -10.298 -7.518 -0.091 386 HB2 LEU 46 HB2 LEU 46 -9.361 -4.675 -0.436 387 HB3 LEU 46 HB3 LEU 46 -8.415 -5.771 0.546 388 HG LEU 46 HG LEU 46 -9.298 -6.734 -2.189 389 HD11 LEU 46 HD11 LEU 46 -7.139 -4.716 -1.630 390 HD12 LEU 46 HD12 LEU 46 -8.416 -4.654 -2.849 391 HD13 LEU 46 HD13 LEU 46 -7.069 -5.796 -3.045 392 HD21 LEU 46 HD21 LEU 46 -7.101 -7.905 -2.049 393 HD22 LEU 46 HD22 LEU 46 -8.190 -8.321 -0.712 394 HD23 LEU 46 HD23 LEU 46 -6.832 -7.185 -0.464 395 H SER 47 HN SER 47 -9.313 -7.622 2.191 396 HA SER 47 HA SER 47 -11.074 -6.478 4.220 397 HB2 SER 47 HB2 SER 47 -8.458 -7.992 4.589 398 HB3 SER 47 HB3 SER 47 -9.785 -7.796 5.720 399 HG SER 47 HG SER 47 -11.083 -9.049 4.450 400 H GLU 48 HN GLU 48 -10.299 -4.945 5.792 401 HA GLU 48 HA GLU 48 -8.791 -2.798 4.762 402 HB2 GLU 48 HB2 GLU 48 -9.302 -3.584 7.663 403 HB3 GLU 48 HB3 GLU 48 -8.667 -2.034 7.088 404 HG2 GLU 48 HG2 GLU 48 -10.717 -1.674 5.772 405 HG3 GLU 48 HG3 GLU 48 -11.396 -3.174 6.380 406 H VAL 49 HN VAL 49 -7.759 -5.553 6.712 407 HA VAL 49 HA VAL 49 -5.151 -4.586 7.284 408 HB VAL 49 HB VAL 49 -6.274 -7.423 7.218 409 HG11 VAL 49 HG11 VAL 49 -4.366 -7.886 8.840 410 HG12 VAL 49 HG12 VAL 49 -3.900 -7.627 7.148 411 HG13 VAL 49 HG13 VAL 49 -3.658 -6.334 8.347 412 HG21 VAL 49 HG21 VAL 49 -6.443 -7.111 9.688 413 HG22 VAL 49 HG22 VAL 49 -5.910 -5.429 9.503 414 HG23 VAL 49 HG23 VAL 49 -7.459 -5.967 8.824 415 H GLN 50 HN GLN 50 -6.396 -6.503 4.542 416 HA GLN 50 HA GLN 50 -3.911 -7.159 3.334 417 HB2 GLN 50 HB2 GLN 50 -6.569 -6.473 2.009 418 HB3 GLN 50 HB3 GLN 50 -5.257 -7.351 1.264 419 HG2 GLN 50 HG2 GLN 50 -6.571 -8.440 3.778 420 HG3 GLN 50 HG3 GLN 50 -7.317 -8.642 2.201 421 HE21 GLN 50 HE21 GLN 50 -6.474 -10.176 0.751 422 HE22 GLN 50 HE22 GLN 50 -5.248 -11.296 1.212 423 H VAL 51 HN VAL 51 -6.031 -4.276 3.084 424 HA VAL 51 HA VAL 51 -4.301 -2.959 1.193 425 HB VAL 51 HB VAL 51 -6.596 -1.798 2.826 426 HG11 VAL 51 HG11 VAL 51 -5.370 -0.998 0.135 427 HG12 VAL 51 HG12 VAL 51 -6.808 -0.261 0.878 428 HG13 VAL 51 HG13 VAL 51 -5.240 -0.098 1.662 429 HG21 VAL 51 HG21 VAL 51 -7.903 -2.267 0.693 430 HG22 VAL 51 HG22 VAL 51 -6.573 -3.289 0.156 431 HG23 VAL 51 HG23 VAL 51 -7.498 -3.708 1.615 432 H LYS 52 HN LYS 52 -4.554 -2.760 4.824 433 HA LYS 52 HA LYS 52 -2.654 -0.569 4.912 434 HB2 LYS 52 HB2 LYS 52 -2.876 -0.642 7.133 435 HB3 LYS 52 HB3 LYS 52 -4.307 -1.556 6.761 436 HG2 LYS 52 HG2 LYS 52 -2.773 -3.652 7.101 437 HG3 LYS 52 HG3 LYS 52 -1.714 -2.493 7.873 438 HD2 LYS 52 HD2 LYS 52 -4.291 -1.890 8.940 439 HD3 LYS 52 HD3 LYS 52 -4.255 -3.656 8.871 440 HE2 LYS 52 HE2 LYS 52 -2.206 -3.725 10.127 441 HE3 LYS 52 HE3 LYS 52 -2.091 -1.945 10.048 442 HZ1 LYS 52 HZ1 LYS 52 -4.390 -3.286 11.378 443 HZ2 LYS 52 HZ2 LYS 52 -3.865 -1.717 11.515 444 HZ3 LYS 52 HZ3 LYS 52 -3.031 -2.919 12.189 445 H ILE 53 HN ILE 53 -2.233 -4.003 4.489 446 HA ILE 53 HA ILE 53 0.655 -3.857 4.889 447 HB ILE 53 HB ILE 53 -1.173 -5.978 3.669 448 HG12 ILE 53 HG12 ILE 53 0.321 -6.173 6.319 449 HG13 ILE 53 HG13 ILE 53 -1.273 -5.456 6.240 450 HG21 ILE 53 HG21 ILE 53 1.787 -6.251 4.373 451 HG22 ILE 53 HG22 ILE 53 0.734 -7.585 3.867 452 HG23 ILE 53 HG23 ILE 53 1.092 -6.300 2.735 453 HD11 ILE 53 HD11 ILE 53 -0.618 -8.322 5.441 454 HD12 ILE 53 HD12 ILE 53 -1.494 -7.776 6.876 455 HD13 ILE 53 HD13 ILE 53 -2.207 -7.545 5.267 456 H TRP 54 HN TRP 54 -1.573 -3.583 2.047 457 HA TRP 54 HA TRP 54 0.495 -3.817 0.136 458 HB2 TRP 54 HB2 TRP 54 -2.002 -3.787 -0.341 459 HB3 TRP 54 HB3 TRP 54 -1.979 -2.032 -0.163 460 HD1 TRP 54 HD1 TRP 54 -0.947 -4.871 -2.424 461 HE1 TRP 54 HE1 TRP 54 0.011 -4.051 -4.624 462 HE3 TRP 54 HE3 TRP 54 -1.049 0.223 -1.574 463 HZ2 TRP 54 HZ2 TRP 54 0.872 -1.581 -5.792 464 HZ3 TRP 54 HZ3 TRP 54 -0.295 1.778 -3.397 465 HH2 TRP 54 HH2 TRP 54 0.725 0.890 -5.436 466 H PHE 55 HN PHE 55 -0.908 -0.855 1.520 467 HA PHE 55 HA PHE 55 0.667 1.022 0.142 468 HB2 PHE 55 HB2 PHE 55 -0.754 1.078 2.805 469 HB3 PHE 55 HB3 PHE 55 0.190 2.454 2.353 470 HD1 PHE 55 HD2 PHE 55 -2.453 0.205 0.838 471 HD2 PHE 55 HD1 PHE 55 -0.937 4.247 1.144 472 HE1 PHE 55 HE2 PHE 55 -4.563 1.113 -0.106 473 HE2 PHE 55 HE1 PHE 55 -3.099 5.074 0.031 474 HZ PHE 55 HZ PHE 55 -4.907 3.453 -0.327 475 H GLN 56 HN GLN 56 1.377 -0.438 3.369 476 HA GLN 56 HA GLN 56 3.878 0.827 3.733 477 HB2 GLN 56 HB2 GLN 56 4.389 -0.860 5.323 478 HB3 GLN 56 HB3 GLN 56 2.671 -0.387 5.529 479 HG2 GLN 56 HG2 GLN 56 1.915 -2.284 4.422 480 HG3 GLN 56 HG3 GLN 56 3.581 -2.874 4.182 481 HE21 GLN 56 HE21 GLN 56 1.041 -2.236 6.638 482 HE22 GLN 56 HE22 GLN 56 1.741 -3.342 7.798 483 H ASN 57 HN ASN 57 3.102 -2.112 1.853 484 HA ASN 57 HA ASN 57 5.889 -2.943 1.673 485 HB2 ASN 57 HB2 ASN 57 3.208 -3.938 0.682 486 HB3 ASN 57 HB3 ASN 57 4.599 -4.348 -0.284 487 HD21 ASN 57 HD21 ASN 57 3.225 -4.669 3.033 488 HD22 ASN 57 HD22 ASN 57 4.404 -5.881 3.529 489 H GLU 58 HN GLU 58 3.745 -0.903 -0.105 490 HA GLU 58 HA GLU 58 5.487 -0.921 -2.489 491 HB2 GLU 58 HB2 GLU 58 2.958 -0.593 -2.594 492 HB3 GLU 58 HB3 GLU 58 3.186 0.968 -1.831 493 HG2 GLU 58 HG2 GLU 58 2.990 1.355 -4.182 494 HG3 GLU 58 HG3 GLU 58 4.674 1.632 -3.775 495 H ARG 59 HN ARG 59 4.900 1.224 0.429 496 HA ARG 59 HA ARG 59 6.503 3.364 -0.351 497 HB2 ARG 59 HB2 ARG 59 6.038 2.116 2.383 498 HB3 ARG 59 HB3 ARG 59 6.963 3.573 2.105 499 HG2 ARG 59 HG2 ARG 59 4.874 4.552 0.956 500 HG3 ARG 59 HG3 ARG 59 4.006 3.179 1.641 501 HD2 ARG 59 HD2 ARG 59 5.226 3.944 3.871 502 HD3 ARG 59 HD3 ARG 59 5.334 5.492 3.037 503 HE ARG 59 HE ARG 59 2.887 5.509 2.829 504 HH11 ARG 59 HH11 ARG 59 4.292 3.437 5.379 505 HH12 ARG 59 HH12 ARG 59 2.824 3.368 6.293 506 HH21 ARG 59 HH21 ARG 59 1.225 5.769 4.328 507 HH22 ARG 59 HH22 ARG 59 1.213 4.895 5.831 508 H ALA 60 HN ALA 60 7.544 0.319 1.094 509 HA ALA 60 HA ALA 60 10.343 1.134 1.231 510 HB1 ALA 60 HB1 ALA 60 9.430 -0.317 2.953 511 HB2 ALA 60 HB2 ALA 60 9.022 -1.563 1.744 512 HB3 ALA 60 HB3 ALA 60 10.718 -1.149 2.088 513 H LYS 61 HN LYS 61 8.433 -0.020 -1.371 514 HA LYS 61 HA LYS 61 10.947 -0.947 -2.715 515 HB2 LYS 61 HB2 LYS 61 9.797 -2.146 -4.207 516 HB3 LYS 61 HB3 LYS 61 8.801 -2.367 -2.751 517 HG2 LYS 61 HG2 LYS 61 7.217 -0.677 -3.653 518 HG3 LYS 61 HG3 LYS 61 8.178 -0.587 -5.123 519 HD2 LYS 61 HD2 LYS 61 7.633 -3.398 -4.444 520 HD3 LYS 61 HD3 LYS 61 6.128 -2.493 -4.422 521 HE2 LYS 61 HE2 LYS 61 7.786 -1.728 -6.717 522 HE3 LYS 61 HE3 LYS 61 7.597 -3.469 -6.663 523 HZ1 LYS 61 HZ1 LYS 61 5.872 -2.252 -7.902 524 HZ2 LYS 61 HZ2 LYS 61 5.329 -1.592 -6.485 525 HZ3 LYS 61 HZ3 LYS 61 5.253 -3.223 -6.719 526 H TRP 62 HN TRP 62 8.283 1.466 -3.000 527 HA TRP 62 HA TRP 62 9.526 2.818 -5.130 528 HB2 TRP 62 HB2 TRP 62 7.155 3.186 -4.172 529 HB3 TRP 62 HB3 TRP 62 7.923 4.249 -2.989 530 HD1 TRP 62 HD1 TRP 62 6.537 4.195 -6.429 531 HE1 TRP 62 HE1 TRP 62 7.193 6.246 -7.817 532 HE3 TRP 62 HE3 TRP 62 9.720 6.395 -3.144 533 HZ2 TRP 62 HZ2 TRP 62 9.278 8.288 -7.710 534 HZ3 TRP 62 HZ3 TRP 62 11.139 8.341 -3.841 535 HH2 TRP 62 HH2 TRP 62 10.962 9.235 -6.154 536 H LYS 63 HN LYS 63 10.057 3.063 -1.530 537 HA LYS 63 HA LYS 63 11.725 5.345 -1.697 538 HB2 LYS 63 HB2 LYS 63 11.700 3.031 0.275 539 HB3 LYS 63 HB3 LYS 63 12.940 4.271 0.360 540 HG2 LYS 63 HG2 LYS 63 10.630 5.806 0.160 541 HG3 LYS 63 HG3 LYS 63 10.083 4.438 1.102 542 HD2 LYS 63 HD2 LYS 63 10.721 6.138 2.605 543 HD3 LYS 63 HD3 LYS 63 11.938 4.856 2.743 544 HE2 LYS 63 HE2 LYS 63 13.546 6.141 1.472 545 HE3 LYS 63 HE3 LYS 63 12.298 7.262 0.922 546 HZ1 LYS 63 HZ1 LYS 63 12.093 8.081 3.163 547 HZ2 LYS 63 HZ2 LYS 63 13.596 8.290 2.592 548 HZ3 LYS 63 HZ3 LYS 63 13.305 7.111 3.703 549 H ARG 64 HN ARG 64 12.524 2.206 -3.014 550 HA ARG 64 HA ARG 64 15.404 2.712 -2.860 551 HB2 ARG 64 HB2 ARG 64 13.840 0.570 -4.366 552 HB3 ARG 64 HB3 ARG 64 15.595 0.630 -4.148 553 HG2 ARG 64 HG2 ARG 64 15.050 0.698 -1.590 554 HG3 ARG 64 HG3 ARG 64 13.436 0.134 -2.060 555 HD2 ARG 64 HD2 ARG 64 14.438 -1.860 -3.117 556 HD3 ARG 64 HD3 ARG 64 16.056 -1.211 -2.774 557 HE ARG 64 HE ARG 64 14.193 -1.707 -0.513 558 HH11 ARG 64 HH11 ARG 64 16.995 -2.956 -2.317 559 HH12 ARG 64 HH12 ARG 64 17.630 -3.826 -0.959 560 HH21 ARG 64 HH21 ARG 64 15.032 -2.779 1.216 561 HH22 ARG 64 HH22 ARG 64 16.482 -3.747 1.142 562 H ILE 65 HN ILE 65 12.943 3.865 -4.874 563 HA ILE 65 HA ILE 65 14.504 4.035 -7.333 564 HB ILE 65 HB ILE 65 11.849 5.312 -6.531 565 HG12 ILE 65 HG12 ILE 65 12.325 2.741 -8.109 566 HG13 ILE 65 HG13 ILE 65 11.854 2.816 -6.407 567 HG21 ILE 65 HG21 ILE 65 13.216 5.045 -9.229 568 HG22 ILE 65 HG22 ILE 65 11.482 5.431 -9.063 569 HG23 ILE 65 HG23 ILE 65 12.692 6.521 -8.421 570 HD11 ILE 65 HD11 ILE 65 9.812 4.138 -7.128 571 HD12 ILE 65 HD12 ILE 65 10.199 3.638 -8.793 572 HD13 ILE 65 HD13 ILE 65 9.864 2.420 -7.552 573 H LYS 66 HN LYS 66 14.163 5.920 -4.473 574 HA LYS 66 HA LYS 66 14.561 8.509 -5.661 575 HB2 LYS 66 HB2 LYS 66 13.542 7.777 -3.355 576 HB3 LYS 66 HB3 LYS 66 15.187 8.026 -2.775 577 HG2 LYS 66 HG2 LYS 66 13.679 10.111 -4.403 578 HG3 LYS 66 HG3 LYS 66 13.441 9.971 -2.670 579 HD2 LYS 66 HD2 LYS 66 16.184 10.453 -3.889 580 HD3 LYS 66 HD3 LYS 66 15.071 11.749 -3.430 581 HE2 LYS 66 HE2 LYS 66 15.003 10.892 -1.102 582 HE3 LYS 66 HE3 LYS 66 16.143 9.613 -1.536 583 HZ1 LYS 66 HZ1 LYS 66 16.814 12.484 -1.822 584 HZ2 LYS 66 HZ2 LYS 66 17.793 11.158 -1.958 585 HZ3 LYS 66 HZ3 LYS 66 17.204 11.579 -0.503 586 H ALA 67 HN ALA 67 16.217 7.927 -7.049 587 HA ALA 67 HA ALA 67 18.754 7.144 -6.529 588 HB1 ALA 67 HB1 ALA 67 19.391 8.325 -8.601 589 HB2 ALA 67 HB2 ALA 67 17.834 7.494 -8.781 590 HB3 ALA 67 HB3 ALA 67 17.882 9.263 -8.541 591 H GLY 68 HN GLY 68 17.451 10.407 -6.401 592 HA2 GLY 68 HA1 GLY 68 18.015 11.898 -4.574 593 HA3 GLY 68 HA2 GLY 68 19.700 11.417 -4.707 594 H ASN 69 HN ASN 69 19.601 11.405 -7.665 595 HA ASN 69 HA ASN 69 19.677 12.579 -9.527 596 HB2 ASN 69 HB2 ASN 69 17.620 14.001 -8.394 597 HB3 ASN 69 HB3 ASN 69 18.838 15.258 -8.597 598 HD21 ASN 69 HD21 ASN 69 20.025 15.071 -10.950 599 HD22 ASN 69 HD22 ASN 69 18.892 14.742 -12.277 600 H VAL 70 HN VAL 70 21.697 12.494 -7.320 601 HA VAL 70 HA VAL 70 23.430 14.787 -7.952 602 HB VAL 70 HB VAL 70 23.274 13.543 -5.705 603 HG11 VAL 70 HG11 VAL 70 23.501 11.229 -6.623 604 HG12 VAL 70 HG12 VAL 70 25.178 11.585 -7.032 605 HG13 VAL 70 HG13 VAL 70 24.668 11.612 -5.338 606 HG21 VAL 70 HG21 VAL 70 25.590 13.943 -5.151 607 HG22 VAL 70 HG22 VAL 70 26.033 13.991 -6.868 608 HG23 VAL 70 HG23 VAL 70 24.967 15.238 -6.190 609 H SER 71 HN SER 71 22.281 12.356 -9.727 610 HA SER 71 HA SER 71 22.829 10.847 -11.247 611 HB2 SER 71 HB2 SER 71 25.385 12.458 -11.622 612 HB3 SER 71 HB3 SER 71 24.950 11.029 -12.555 613 HG SER 71 HG SER 71 24.086 12.521 -13.768 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -2.696 -12.797 -14.644 2 HA2 GLY 1 HA1 GLY 1 -0.678 -11.524 -14.233 3 HA3 GLY 1 HA2 GLY 1 -1.284 -11.182 -12.595 4 H ALA 2 HN ALA 2 1.266 -12.587 -13.438 5 HA ALA 2 HA ALA 2 0.823 -15.177 -12.025 6 HB1 ALA 2 HB1 ALA 2 2.450 -16.199 -13.562 7 HB2 ALA 2 HB2 ALA 2 0.986 -15.650 -14.398 8 HB3 ALA 2 HB3 ALA 2 2.494 -14.702 -14.527 9 HA PRO 3 HA PRO 3 4.082 -12.374 -10.248 10 HB2 PRO 3 HB2 PRO 3 3.258 -12.239 -7.631 11 HB3 PRO 3 HB3 PRO 3 2.514 -11.255 -8.932 12 HG2 PRO 3 HG2 PRO 3 1.530 -13.915 -7.826 13 HG3 PRO 3 HG3 PRO 3 0.596 -12.397 -8.065 14 HD2 PRO 3 HD2 PRO 3 0.530 -14.359 -9.911 15 HD3 PRO 3 HD3 PRO 3 0.580 -12.637 -10.395 16 H GLY 4 HN GLY 4 5.885 -12.816 -8.979 17 HA2 GLY 4 HA1 GLY 4 6.011 -15.321 -7.366 18 HA3 GLY 4 HA2 GLY 4 7.299 -14.930 -8.519 19 H GLY 5 HN GLY 5 8.870 -13.509 -7.887 20 HA2 GLY 5 HA1 GLY 5 8.654 -11.122 -6.534 21 HA3 GLY 5 HA2 GLY 5 8.876 -12.328 -5.251 22 H LYS 6 HN LYS 6 10.435 -10.606 -7.877 23 HA LYS 6 HA LYS 6 12.970 -12.062 -7.633 24 HB2 LYS 6 HB2 LYS 6 12.258 -9.364 -8.843 25 HB3 LYS 6 HB3 LYS 6 13.911 -9.904 -8.617 26 HG2 LYS 6 HG2 LYS 6 13.147 -12.057 -9.949 27 HG3 LYS 6 HG3 LYS 6 11.847 -10.989 -10.517 28 HD2 LYS 6 HD2 LYS 6 13.683 -9.305 -11.147 29 HD3 LYS 6 HD3 LYS 6 14.860 -10.542 -10.700 30 HE2 LYS 6 HE2 LYS 6 14.806 -10.786 -12.974 31 HE3 LYS 6 HE3 LYS 6 13.654 -12.045 -12.474 32 HZ1 LYS 6 HZ1 LYS 6 12.928 -9.298 -13.342 33 HZ2 LYS 6 HZ2 LYS 6 11.859 -10.493 -13.037 34 HZ3 LYS 6 HZ3 LYS 6 12.902 -10.584 -14.326 35 H SER 7 HN SER 7 11.287 -9.723 -5.749 36 HA SER 7 HA SER 7 12.958 -10.448 -3.574 37 HB2 SER 7 HB2 SER 7 14.335 -8.521 -4.590 38 HB3 SER 7 HB3 SER 7 13.027 -7.454 -4.088 39 HG SER 7 HG SER 7 14.512 -7.510 -2.474 40 H ARG 8 HN ARG 8 11.050 -11.121 -2.609 41 HA ARG 8 HA ARG 8 9.138 -10.915 -1.335 42 HB2 ARG 8 HB2 ARG 8 11.392 -9.207 -0.334 43 HB3 ARG 8 HB3 ARG 8 9.857 -9.073 0.492 44 HG2 ARG 8 HG2 ARG 8 10.967 -10.706 1.702 45 HG3 ARG 8 HG3 ARG 8 9.772 -11.568 0.738 46 HD2 ARG 8 HD2 ARG 8 12.053 -11.602 -0.874 47 HD3 ARG 8 HD3 ARG 8 12.730 -11.684 0.760 48 HE ARG 8 HE ARG 8 10.511 -13.517 0.130 49 HH11 ARG 8 HH11 ARG 8 14.065 -13.268 0.664 50 HH12 ARG 8 HH12 ARG 8 14.292 -14.957 0.445 51 HH21 ARG 8 HH21 ARG 8 10.859 -15.639 -0.209 52 HH22 ARG 8 HH22 ARG 8 12.469 -16.342 -0.148 53 H ARG 9 HN ARG 9 7.475 -10.193 -2.861 54 HA ARG 9 HA ARG 9 6.928 -7.258 -2.609 55 HB2 ARG 9 HB2 ARG 9 7.615 -8.447 -4.832 56 HB3 ARG 9 HB3 ARG 9 5.905 -8.900 -4.920 57 HG2 ARG 9 HG2 ARG 9 5.222 -6.573 -5.007 58 HG3 ARG 9 HG3 ARG 9 6.774 -6.034 -4.367 59 HD2 ARG 9 HD2 ARG 9 7.179 -5.488 -6.476 60 HD3 ARG 9 HD3 ARG 9 7.765 -7.145 -6.563 61 HE ARG 9 HE ARG 9 5.055 -7.286 -7.256 62 HH11 ARG 9 HH11 ARG 9 8.016 -5.761 -8.523 63 HH12 ARG 9 HH12 ARG 9 7.433 -5.548 -10.115 64 HH21 ARG 9 HH21 ARG 9 4.138 -6.778 -9.321 65 HH22 ARG 9 HH22 ARG 9 5.114 -6.111 -10.566 66 H ARG 10 HN ARG 10 5.629 -10.086 -1.379 67 HA ARG 10 HA ARG 10 2.917 -8.878 -1.136 68 HB2 ARG 10 HB2 ARG 10 2.949 -10.294 -3.146 69 HB3 ARG 10 HB3 ARG 10 3.576 -11.666 -2.246 70 HG2 ARG 10 HG2 ARG 10 0.976 -10.409 -1.357 71 HG3 ARG 10 HG3 ARG 10 0.976 -11.334 -2.860 72 HD2 ARG 10 HD2 ARG 10 1.745 -12.373 -0.118 73 HD3 ARG 10 HD3 ARG 10 0.241 -12.651 -0.939 74 HE ARG 10 HE ARG 10 2.262 -13.585 -2.675 75 HH11 ARG 10 HH11 ARG 10 1.097 -14.407 0.569 76 HH12 ARG 10 HH12 ARG 10 0.769 -16.064 0.187 77 HH21 ARG 10 HH21 ARG 10 2.242 -15.828 -3.061 78 HH22 ARG 10 HH22 ARG 10 1.454 -16.883 -1.937 79 H ARG 11 HN ARG 11 3.468 -8.468 1.100 80 HA ARG 11 HA ARG 11 4.724 -10.672 2.542 81 HB2 ARG 11 HB2 ARG 11 5.300 -8.090 2.555 82 HB3 ARG 11 HB3 ARG 11 4.057 -7.998 3.789 83 HG2 ARG 11 HG2 ARG 11 5.327 -9.551 5.231 84 HG3 ARG 11 HG3 ARG 11 6.453 -9.872 3.905 85 HD2 ARG 11 HD2 ARG 11 6.949 -7.345 3.931 86 HD3 ARG 11 HD3 ARG 11 6.095 -7.296 5.482 87 HE ARG 11 HE ARG 11 8.672 -8.590 4.797 88 HH11 ARG 11 HH11 ARG 11 6.255 -8.202 7.386 89 HH12 ARG 11 HH12 ARG 11 7.413 -8.423 8.660 90 HH21 ARG 11 HH21 ARG 11 10.209 -8.310 6.505 91 HH22 ARG 11 HH22 ARG 11 9.653 -8.289 8.142 92 H THR 12 HN THR 12 1.678 -10.252 2.001 93 HA THR 12 HA THR 12 0.854 -11.938 4.160 94 HB THR 12 HB THR 12 -1.122 -9.807 4.277 95 HG1 THR 12 HG1 THR 12 0.334 -8.424 5.608 96 HG21 THR 12 HG21 THR 12 -0.787 -11.638 5.891 97 HG22 THR 12 HG22 THR 12 -0.737 -10.056 6.675 98 HG23 THR 12 HG23 THR 12 0.776 -10.937 6.364 99 H ALA 13 HN ALA 13 -1.776 -12.044 3.920 100 HA ALA 13 HA ALA 13 -2.230 -13.323 1.487 101 HB1 ALA 13 HB1 ALA 13 -4.137 -12.394 3.698 102 HB2 ALA 13 HB2 ALA 13 -4.488 -13.678 2.529 103 HB3 ALA 13 HB3 ALA 13 -3.206 -13.905 3.730 104 H PHE 14 HN PHE 14 -1.631 -10.758 0.678 105 HA PHE 14 HA PHE 14 -4.196 -9.662 -0.373 106 HB2 PHE 14 HB2 PHE 14 -1.422 -8.409 -0.156 107 HB3 PHE 14 HB3 PHE 14 -2.694 -7.789 -1.212 108 HD1 PHE 14 HD1 PHE 14 -2.934 -8.934 2.405 109 HD2 PHE 14 HD2 PHE 14 -3.501 -5.798 -0.385 110 HE1 PHE 14 HE1 PHE 14 -3.586 -7.513 4.270 111 HE2 PHE 14 HE2 PHE 14 -4.339 -4.349 1.494 112 HZ PHE 14 HZ PHE 14 -4.284 -5.161 3.791 113 H THR 15 HN THR 15 -4.504 -9.920 -2.515 114 HA THR 15 HA THR 15 -2.710 -11.716 -4.031 115 HB THR 15 HB THR 15 -4.735 -11.832 -5.551 116 HG1 THR 15 HG1 THR 15 -6.035 -10.526 -3.433 117 HG21 THR 15 HG21 THR 15 -6.093 -13.248 -4.074 118 HG22 THR 15 HG22 THR 15 -5.322 -12.541 -2.641 119 HG23 THR 15 HG23 THR 15 -4.377 -13.556 -3.754 120 H SER 16 HN SER 16 -2.574 -11.148 -6.486 121 HA SER 16 HA SER 16 -1.274 -8.631 -6.577 122 HB2 SER 16 HB2 SER 16 -0.579 -10.511 -7.867 123 HB3 SER 16 HB3 SER 16 -2.066 -10.392 -8.867 124 HG SER 16 HG SER 16 -1.170 -8.041 -9.002 125 H GLU 17 HN GLU 17 -4.623 -9.478 -7.255 126 HA GLU 17 HA GLU 17 -5.523 -7.370 -8.844 127 HB2 GLU 17 HB2 GLU 17 -6.627 -9.520 -8.149 128 HB3 GLU 17 HB3 GLU 17 -6.635 -8.930 -6.462 129 HG2 GLU 17 HG2 GLU 17 -8.097 -7.092 -7.094 130 HG3 GLU 17 HG3 GLU 17 -8.143 -7.711 -8.766 131 H GLN 18 HN GLN 18 -5.163 -7.850 -5.347 132 HA GLN 18 HA GLN 18 -6.079 -5.235 -4.609 133 HB2 GLN 18 HB2 GLN 18 -4.723 -7.338 -2.881 134 HB3 GLN 18 HB3 GLN 18 -5.857 -6.094 -2.359 135 HG2 GLN 18 HG2 GLN 18 -7.699 -7.279 -3.631 136 HG3 GLN 18 HG3 GLN 18 -6.551 -8.440 -4.194 137 HE21 GLN 18 HE21 GLN 18 -8.779 -7.930 -1.570 138 HE22 GLN 18 HE22 GLN 18 -8.168 -9.251 -0.634 139 H LEU 19 HN LEU 19 -2.940 -6.751 -5.236 140 HA LEU 19 HA LEU 19 -1.388 -4.500 -4.071 141 HB2 LEU 19 HB2 LEU 19 -0.713 -7.029 -5.576 142 HB3 LEU 19 HB3 LEU 19 0.459 -5.817 -5.183 143 HG LEU 19 HG LEU 19 -1.313 -7.041 -3.021 144 HD11 LEU 19 HD11 LEU 19 1.359 -8.166 -3.892 145 HD12 LEU 19 HD12 LEU 19 -0.255 -8.924 -4.129 146 HD13 LEU 19 HD13 LEU 19 0.365 -8.651 -2.500 147 HD21 LEU 19 HD21 LEU 19 0.229 -6.329 -1.454 148 HD22 LEU 19 HD22 LEU 19 0.251 -4.980 -2.583 149 HD23 LEU 19 HD23 LEU 19 1.575 -6.152 -2.636 150 H LEU 20 HN LEU 20 -3.166 -4.717 -6.691 151 HA LEU 20 HA LEU 20 -1.437 -3.145 -8.485 152 HB2 LEU 20 HB2 LEU 20 -3.595 -4.760 -8.951 153 HB3 LEU 20 HB3 LEU 20 -4.422 -3.217 -8.858 154 HG LEU 20 HG LEU 20 -2.144 -4.016 -10.700 155 HD11 LEU 20 HD11 LEU 20 -4.426 -4.943 -11.127 156 HD12 LEU 20 HD12 LEU 20 -3.864 -3.864 -12.432 157 HD13 LEU 20 HD13 LEU 20 -5.053 -3.305 -11.232 158 HD21 LEU 20 HD21 LEU 20 -2.551 -1.780 -11.806 159 HD22 LEU 20 HD22 LEU 20 -1.830 -1.645 -10.199 160 HD23 LEU 20 HD23 LEU 20 -3.576 -1.344 -10.416 161 H GLU 21 HN GLU 21 -4.570 -2.586 -6.932 162 HA GLU 21 HA GLU 21 -4.542 0.157 -7.271 163 HB2 GLU 21 HB2 GLU 21 -6.123 -1.512 -5.275 164 HB3 GLU 21 HB3 GLU 21 -6.574 0.101 -5.846 165 HG2 GLU 21 HG2 GLU 21 -6.337 -2.446 -7.530 166 HG3 GLU 21 HG3 GLU 21 -7.844 -1.644 -7.041 167 H LEU 22 HN LEU 22 -3.646 -1.706 -4.396 168 HA LEU 22 HA LEU 22 -3.254 0.532 -2.632 169 HB2 LEU 22 HB2 LEU 22 -2.633 -2.346 -2.661 170 HB3 LEU 22 HB3 LEU 22 -1.379 -1.452 -1.868 171 HG LEU 22 HG LEU 22 -2.937 -0.518 -0.254 172 HD11 LEU 22 HD11 LEU 22 -4.930 -0.173 -1.614 173 HD12 LEU 22 HD12 LEU 22 -5.377 -1.274 -0.307 174 HD13 LEU 22 HD13 LEU 22 -5.043 -1.897 -1.941 175 HD21 LEU 22 HD21 LEU 22 -3.542 -2.447 0.972 176 HD22 LEU 22 HD22 LEU 22 -2.165 -2.998 0.037 177 HD23 LEU 22 HD23 LEU 22 -3.803 -3.429 -0.467 178 H ARG 23 HN ARG 23 -1.333 -0.523 -5.326 179 HA ARG 23 HA ARG 23 0.986 1.074 -4.332 180 HB2 ARG 23 HB2 ARG 23 0.635 -0.774 -6.733 181 HB3 ARG 23 HB3 ARG 23 2.104 0.153 -6.374 182 HG2 ARG 23 HG2 ARG 23 2.427 -1.013 -4.267 183 HG3 ARG 23 HG3 ARG 23 0.862 -1.825 -4.400 184 HD2 ARG 23 HD2 ARG 23 1.914 -3.545 -5.282 185 HD3 ARG 23 HD3 ARG 23 2.066 -2.571 -6.749 186 HE ARG 23 HE ARG 23 4.129 -2.413 -4.611 187 HH11 ARG 23 HH11 ARG 23 3.277 -3.701 -7.836 188 HH12 ARG 23 HH12 ARG 23 4.916 -3.840 -8.359 189 HH21 ARG 23 HH21 ARG 23 6.242 -2.759 -5.213 190 HH22 ARG 23 HH22 ARG 23 6.703 -3.337 -6.765 191 H LYS 24 HN LYS 24 -1.601 1.017 -6.781 192 HA LYS 24 HA LYS 24 -0.608 3.308 -8.227 193 HB2 LYS 24 HB2 LYS 24 -3.440 2.218 -7.994 194 HB3 LYS 24 HB3 LYS 24 -2.921 3.568 -9.024 195 HG2 LYS 24 HG2 LYS 24 -1.355 2.071 -10.228 196 HG3 LYS 24 HG3 LYS 24 -1.941 0.713 -9.277 197 HD2 LYS 24 HD2 LYS 24 -3.083 0.724 -11.423 198 HD3 LYS 24 HD3 LYS 24 -4.220 1.078 -10.131 199 HE2 LYS 24 HE2 LYS 24 -4.768 2.483 -11.964 200 HE3 LYS 24 HE3 LYS 24 -4.066 3.522 -10.718 201 HZ1 LYS 24 HZ1 LYS 24 -3.206 4.042 -12.898 202 HZ2 LYS 24 HZ2 LYS 24 -2.664 2.510 -13.129 203 HZ3 LYS 24 HZ3 LYS 24 -1.970 3.472 -11.991 204 H GLU 25 HN GLU 25 -3.021 3.011 -5.536 205 HA GLU 25 HA GLU 25 -3.425 5.881 -5.489 206 HB2 GLU 25 HB2 GLU 25 -4.050 3.719 -3.449 207 HB3 GLU 25 HB3 GLU 25 -4.557 5.397 -3.290 208 HG2 GLU 25 HG2 GLU 25 -5.367 3.542 -5.571 209 HG3 GLU 25 HG3 GLU 25 -6.339 3.916 -4.162 210 H PHE 26 HN PHE 26 -1.138 3.689 -3.878 211 HA PHE 26 HA PHE 26 -0.259 5.404 -1.833 212 HB2 PHE 26 HB2 PHE 26 0.425 3.105 -1.899 213 HB3 PHE 26 HB3 PHE 26 1.235 3.310 -3.452 214 HD1 PHE 26 HD1 PHE 26 1.249 4.386 0.107 215 HD2 PHE 26 HD2 PHE 26 3.548 4.001 -3.520 216 HE1 PHE 26 HE1 PHE 26 3.261 5.038 1.322 217 HE2 PHE 26 HE2 PHE 26 5.605 4.665 -2.286 218 HZ PHE 26 HZ PHE 26 5.477 5.159 0.133 219 H HIS 27 HN HIS 27 0.824 5.273 -5.265 220 HA HIS 27 HA HIS 27 2.929 7.161 -4.760 221 HB2 HIS 27 HB2 HIS 27 3.455 7.004 -7.041 222 HB3 HIS 27 HB3 HIS 27 3.013 5.401 -6.490 223 HD1 HIS 27 HD1 HIS 27 1.237 8.336 -8.383 224 HD2 HIS 27 HD2 HIS 27 1.496 4.137 -8.157 225 HE1 HIS 27 HE1 HIS 27 -0.218 7.416 -10.269 226 H CYS 28 HN CYS 28 -0.339 7.859 -4.822 227 HA CYS 28 HA CYS 28 0.275 10.647 -5.686 228 HB2 CYS 28 HB2 CYS 28 -2.082 10.879 -6.426 229 HB3 CYS 28 HB3 CYS 28 -1.135 9.766 -7.422 230 HG CYS 28 HG CYS 28 -2.295 7.711 -7.002 231 H LYS 29 HN LYS 29 -1.742 8.583 -3.528 232 HA LYS 29 HA LYS 29 -2.713 10.952 -2.181 233 HB2 LYS 29 HB2 LYS 29 -3.147 7.982 -1.853 234 HB3 LYS 29 HB3 LYS 29 -3.659 9.110 -0.603 235 HG2 LYS 29 HG2 LYS 29 -4.481 9.495 -3.522 236 HG3 LYS 29 HG3 LYS 29 -5.388 8.492 -2.393 237 HD2 LYS 29 HD2 LYS 29 -5.441 10.511 -0.815 238 HD3 LYS 29 HD3 LYS 29 -4.899 11.499 -2.173 239 HE2 LYS 29 HE2 LYS 29 -7.334 9.679 -2.308 240 HE3 LYS 29 HE3 LYS 29 -7.423 11.273 -1.595 241 HZ1 LYS 29 HZ1 LYS 29 -8.113 11.313 -3.824 242 HZ2 LYS 29 HZ2 LYS 29 -6.729 10.672 -4.383 243 HZ3 LYS 29 HZ3 LYS 29 -6.757 12.215 -3.739 244 H LYS 30 HN LYS 30 -1.076 12.017 -1.342 245 HA LYS 30 HA LYS 30 0.817 11.405 0.548 246 HB2 LYS 30 HB2 LYS 30 0.336 13.626 1.566 247 HB3 LYS 30 HB3 LYS 30 0.431 13.665 -0.179 248 HG2 LYS 30 HG2 LYS 30 -2.306 13.281 0.242 249 HG3 LYS 30 HG3 LYS 30 -1.850 14.268 1.614 250 HD2 LYS 30 HD2 LYS 30 -1.001 16.035 0.223 251 HD3 LYS 30 HD3 LYS 30 -1.118 15.041 -1.242 252 HE2 LYS 30 HE2 LYS 30 -3.538 15.004 -1.133 253 HE3 LYS 30 HE3 LYS 30 -3.538 15.814 0.438 254 HZ1 LYS 30 HZ1 LYS 30 -3.993 17.248 -1.578 255 HZ2 LYS 30 HZ2 LYS 30 -2.399 17.171 -1.937 256 HZ3 LYS 30 HZ3 LYS 30 -2.893 17.816 -0.532 257 H TYR 31 HN TYR 31 -2.762 11.610 1.190 258 HA TYR 31 HA TYR 31 -2.462 9.287 2.678 259 HB2 TYR 31 HB2 TYR 31 -3.615 10.071 4.786 260 HB3 TYR 31 HB3 TYR 31 -1.972 10.640 4.623 261 HD1 TYR 31 HD2 TYR 31 -1.498 13.047 3.898 262 HD2 TYR 31 HD1 TYR 31 -5.468 11.645 4.930 263 HE1 TYR 31 HE2 TYR 31 -2.230 15.377 4.317 264 HE2 TYR 31 HE1 TYR 31 -6.181 13.965 5.332 265 HH TYR 31 HH TYR 31 -4.739 16.299 6.045 266 H LEU 32 HN LEU 32 -4.514 8.190 2.821 267 HA LEU 32 HA LEU 32 -6.731 9.081 1.202 268 HB2 LEU 32 HB2 LEU 32 -5.940 6.747 2.966 269 HB3 LEU 32 HB3 LEU 32 -7.641 6.992 2.655 270 HG LEU 32 HG LEU 32 -7.386 6.750 0.319 271 HD11 LEU 32 HD11 LEU 32 -4.395 6.585 0.688 272 HD12 LEU 32 HD12 LEU 32 -5.382 7.832 -0.151 273 HD13 LEU 32 HD13 LEU 32 -5.299 6.207 -0.810 274 HD21 LEU 32 HD21 LEU 32 -6.565 4.418 0.141 275 HD22 LEU 32 HD22 LEU 32 -7.575 4.648 1.560 276 HD23 LEU 32 HD23 LEU 32 -5.803 4.563 1.734 277 H SER 33 HN SER 33 -8.512 10.214 1.900 278 HA SER 33 HA SER 33 -8.835 11.069 4.661 279 HB2 SER 33 HB2 SER 33 -10.790 11.088 2.319 280 HB3 SER 33 HB3 SER 33 -11.003 11.940 3.851 281 HG SER 33 HG SER 33 -10.148 13.174 2.070 282 H LEU 34 HN LEU 34 -11.095 10.667 5.652 283 HA LEU 34 HA LEU 34 -11.088 7.973 6.580 284 HB2 LEU 34 HB2 LEU 34 -12.669 10.486 7.076 285 HB3 LEU 34 HB3 LEU 34 -13.365 9.000 7.642 286 HG LEU 34 HG LEU 34 -11.861 10.454 9.206 287 HD11 LEU 34 HD11 LEU 34 -12.832 8.571 10.082 288 HD12 LEU 34 HD12 LEU 34 -11.106 8.285 10.366 289 HD13 LEU 34 HD13 LEU 34 -11.946 7.468 9.021 290 HD21 LEU 34 HD21 LEU 34 -9.643 8.727 8.048 291 HD22 LEU 34 HD22 LEU 34 -9.550 9.847 9.408 292 HD23 LEU 34 HD23 LEU 34 -9.802 10.479 7.784 293 H THR 35 HN THR 35 -12.922 9.353 3.930 294 HA THR 35 HA THR 35 -14.752 7.018 3.865 295 HB THR 35 HB THR 35 -14.195 9.318 1.973 296 HG1 THR 35 HG1 THR 35 -16.621 8.815 3.283 297 HG21 THR 35 HG21 THR 35 -14.987 7.408 0.632 298 HG22 THR 35 HG22 THR 35 -16.302 8.557 0.781 299 HG23 THR 35 HG23 THR 35 -16.287 7.090 1.776 300 H GLU 36 HN GLU 36 -11.779 8.242 2.210 301 HA GLU 36 HA GLU 36 -11.696 6.370 0.144 302 HB2 GLU 36 HB2 GLU 36 -9.400 7.822 1.493 303 HB3 GLU 36 HB3 GLU 36 -9.439 7.136 -0.123 304 HG2 GLU 36 HG2 GLU 36 -11.422 8.724 -0.557 305 HG3 GLU 36 HG3 GLU 36 -11.033 9.484 0.984 306 H ARG 37 HN ARG 37 -10.155 6.297 3.319 307 HA ARG 37 HA ARG 37 -8.945 3.693 3.011 308 HB2 ARG 37 HB2 ARG 37 -9.508 5.557 5.273 309 HB3 ARG 37 HB3 ARG 37 -9.448 3.850 5.714 310 HG2 ARG 37 HG2 ARG 37 -7.285 3.558 4.702 311 HG3 ARG 37 HG3 ARG 37 -7.346 5.167 3.983 312 HD2 ARG 37 HD2 ARG 37 -7.630 5.008 6.956 313 HD3 ARG 37 HD3 ARG 37 -6.053 4.548 6.278 314 HE ARG 37 HE ARG 37 -7.115 7.129 5.342 315 HH11 ARG 37 HH11 ARG 37 -5.254 5.515 7.929 316 HH12 ARG 37 HH12 ARG 37 -4.204 6.872 8.191 317 HH21 ARG 37 HH21 ARG 37 -5.885 8.959 5.861 318 HH22 ARG 37 HH22 ARG 37 -4.695 8.895 7.167 319 H SER 38 HN SER 38 -12.210 4.465 3.399 320 HA SER 38 HA SER 38 -12.936 1.673 4.050 321 HB2 SER 38 HB2 SER 38 -14.268 3.705 4.910 322 HB3 SER 38 HB3 SER 38 -14.904 3.817 3.253 323 HG SER 38 HG SER 38 -16.237 2.521 4.508 324 H GLN 39 HN GLN 39 -13.031 3.988 1.266 325 HA GLN 39 HA GLN 39 -14.252 2.336 -0.627 326 HB2 GLN 39 HB2 GLN 39 -11.966 4.328 -1.019 327 HB3 GLN 39 HB3 GLN 39 -12.809 3.565 -2.320 328 HG2 GLN 39 HG2 GLN 39 -14.882 4.621 -1.718 329 HG3 GLN 39 HG3 GLN 39 -14.141 5.359 -0.294 330 HE21 GLN 39 HE21 GLN 39 -13.670 7.568 -0.724 331 HE22 GLN 39 HE22 GLN 39 -13.034 8.101 -2.271 332 H ILE 40 HN ILE 40 -10.727 2.738 -0.197 333 HA ILE 40 HA ILE 40 -10.099 0.625 -2.023 334 HB ILE 40 HB ILE 40 -8.414 2.117 0.018 335 HG12 ILE 40 HG12 ILE 40 -9.369 3.853 -1.264 336 HG13 ILE 40 HG13 ILE 40 -7.765 3.638 -1.919 337 HG21 ILE 40 HG21 ILE 40 -6.502 1.782 -1.608 338 HG22 ILE 40 HG22 ILE 40 -7.082 0.315 -0.817 339 HG23 ILE 40 HG23 ILE 40 -7.546 0.645 -2.500 340 HD11 ILE 40 HD11 ILE 40 -10.368 2.599 -3.093 341 HD12 ILE 40 HD12 ILE 40 -9.365 3.926 -3.720 342 HD13 ILE 40 HD13 ILE 40 -8.757 2.249 -3.768 343 H ALA 41 HN ALA 41 -11.381 0.292 0.795 344 HA ALA 41 HA ALA 41 -10.011 -2.284 1.556 345 HB1 ALA 41 HB1 ALA 41 -10.211 -0.729 3.470 346 HB2 ALA 41 HB2 ALA 41 -11.962 -0.632 3.223 347 HB3 ALA 41 HB3 ALA 41 -11.224 -2.167 3.691 348 H HIS 42 HN HIS 42 -13.177 -0.681 0.955 349 HA HIS 42 HA HIS 42 -14.619 -3.070 1.175 350 HB2 HIS 42 HB2 HIS 42 -16.474 -1.887 0.802 351 HB3 HIS 42 HB3 HIS 42 -15.391 -0.517 1.053 352 HD1 HIS 42 HD1 HIS 42 -14.412 0.494 -1.607 353 HD2 HIS 42 HD2 HIS 42 -18.043 -1.612 -1.162 354 HE1 HIS 42 HE1 HIS 42 -15.873 1.196 -3.514 355 H ALA 43 HN ALA 43 -13.343 -1.333 -1.635 356 HA ALA 43 HA ALA 43 -14.474 -3.105 -3.619 357 HB1 ALA 43 HB1 ALA 43 -13.079 -1.803 -5.201 358 HB2 ALA 43 HB2 ALA 43 -13.992 -0.756 -4.105 359 HB3 ALA 43 HB3 ALA 43 -12.250 -1.029 -3.832 360 H LEU 44 HN LEU 44 -11.748 -3.422 -1.615 361 HA LEU 44 HA LEU 44 -10.501 -5.477 -3.376 362 HB2 LEU 44 HB2 LEU 44 -9.233 -3.916 -1.111 363 HB3 LEU 44 HB3 LEU 44 -8.462 -5.159 -2.067 364 HG LEU 44 HG LEU 44 -9.394 -2.451 -3.075 365 HD11 LEU 44 HD11 LEU 44 -7.314 -2.582 -1.679 366 HD12 LEU 44 HD12 LEU 44 -7.069 -1.973 -3.314 367 HD13 LEU 44 HD13 LEU 44 -6.604 -3.648 -2.911 368 HD21 LEU 44 HD21 LEU 44 -9.723 -3.937 -4.937 369 HD22 LEU 44 HD22 LEU 44 -8.228 -4.828 -4.591 370 HD23 LEU 44 HD23 LEU 44 -8.168 -3.155 -5.204 371 H LYS 45 HN LYS 45 -12.843 -5.326 -1.256 372 HA LYS 45 HA LYS 45 -13.788 -6.742 0.167 373 HB2 LYS 45 HB2 LYS 45 -12.821 -7.995 -2.078 374 HB3 LYS 45 HB3 LYS 45 -12.223 -9.070 -0.837 375 HG2 LYS 45 HG2 LYS 45 -15.132 -8.162 -1.001 376 HG3 LYS 45 HG3 LYS 45 -14.489 -9.476 -1.990 377 HD2 LYS 45 HD2 LYS 45 -13.737 -10.615 0.138 378 HD3 LYS 45 HD3 LYS 45 -14.636 -9.392 1.040 379 HE2 LYS 45 HE2 LYS 45 -15.945 -11.462 0.798 380 HE3 LYS 45 HE3 LYS 45 -16.739 -10.121 -0.037 381 HZ1 LYS 45 HZ1 LYS 45 -15.056 -12.148 -1.378 382 HZ2 LYS 45 HZ2 LYS 45 -16.010 -10.980 -2.095 383 HZ3 LYS 45 HZ3 LYS 45 -16.698 -12.214 -1.300 384 H LEU 46 HN LEU 46 -11.367 -5.510 1.176 385 HA LEU 46 HA LEU 46 -10.279 -7.504 3.153 386 HB2 LEU 46 HB2 LEU 46 -9.075 -5.147 1.670 387 HB3 LEU 46 HB3 LEU 46 -8.438 -5.545 3.251 388 HG LEU 46 HG LEU 46 -8.624 -7.722 1.141 389 HD11 LEU 46 HD11 LEU 46 -6.506 -5.564 1.461 390 HD12 LEU 46 HD12 LEU 46 -7.447 -5.950 0.014 391 HD13 LEU 46 HD13 LEU 46 -6.211 -7.095 0.594 392 HD21 LEU 46 HD21 LEU 46 -8.045 -8.399 3.458 393 HD22 LEU 46 HD22 LEU 46 -6.687 -7.240 3.458 394 HD23 LEU 46 HD23 LEU 46 -6.660 -8.619 2.366 395 H SER 47 HN SER 47 -9.774 -6.469 5.324 396 HA SER 47 HA SER 47 -12.000 -4.736 6.085 397 HB2 SER 47 HB2 SER 47 -11.051 -6.579 7.541 398 HB3 SER 47 HB3 SER 47 -9.629 -5.554 7.796 399 HG SER 47 HG SER 47 -12.354 -4.950 8.430 400 H GLU 48 HN GLU 48 -11.805 -2.580 6.838 401 HA GLU 48 HA GLU 48 -10.023 -0.732 5.760 402 HB2 GLU 48 HB2 GLU 48 -11.386 -0.661 8.496 403 HB3 GLU 48 HB3 GLU 48 -10.561 0.683 7.708 404 HG2 GLU 48 HG2 GLU 48 -12.206 0.516 5.809 405 HG3 GLU 48 HG3 GLU 48 -13.101 -0.645 6.801 406 H VAL 49 HN VAL 49 -9.535 -2.822 8.566 407 HA VAL 49 HA VAL 49 -7.220 -1.351 9.547 408 HB VAL 49 HB VAL 49 -8.142 -4.170 10.204 409 HG11 VAL 49 HG11 VAL 49 -5.771 -3.815 10.810 410 HG12 VAL 49 HG12 VAL 49 -6.187 -2.310 11.651 411 HG13 VAL 49 HG13 VAL 49 -6.767 -3.871 12.254 412 HG21 VAL 49 HG21 VAL 49 -8.614 -1.505 11.616 413 HG22 VAL 49 HG22 VAL 49 -9.856 -2.486 10.811 414 HG23 VAL 49 HG23 VAL 49 -9.065 -3.096 12.262 415 H GLN 50 HN GLN 50 -7.646 -4.324 7.562 416 HA GLN 50 HA GLN 50 -4.939 -5.026 7.394 417 HB2 GLN 50 HB2 GLN 50 -7.044 -5.315 5.210 418 HB3 GLN 50 HB3 GLN 50 -5.605 -6.291 5.399 419 HG2 GLN 50 HG2 GLN 50 -7.276 -6.441 7.818 420 HG3 GLN 50 HG3 GLN 50 -8.194 -6.817 6.374 421 HE21 GLN 50 HE21 GLN 50 -4.946 -7.637 7.840 422 HE22 GLN 50 HE22 GLN 50 -5.241 -9.344 7.688 423 H VAL 51 HN VAL 51 -6.877 -2.786 5.379 424 HA VAL 51 HA VAL 51 -4.771 -2.003 3.640 425 HB VAL 51 HB VAL 51 -7.336 -0.572 4.450 426 HG11 VAL 51 HG11 VAL 51 -5.804 1.028 3.354 427 HG12 VAL 51 HG12 VAL 51 -5.540 -0.130 2.025 428 HG13 VAL 51 HG13 VAL 51 -7.135 0.611 2.275 429 HG21 VAL 51 HG21 VAL 51 -8.126 -1.501 2.239 430 HG22 VAL 51 HG22 VAL 51 -6.660 -2.479 2.154 431 HG23 VAL 51 HG23 VAL 51 -7.845 -2.749 3.455 432 H LYS 52 HN LYS 52 -5.835 -0.567 6.839 433 HA LYS 52 HA LYS 52 -4.101 1.670 6.600 434 HB2 LYS 52 HB2 LYS 52 -4.712 2.283 8.634 435 HB3 LYS 52 HB3 LYS 52 -5.990 1.116 8.387 436 HG2 LYS 52 HG2 LYS 52 -4.502 -0.538 9.692 437 HG3 LYS 52 HG3 LYS 52 -3.617 0.916 10.144 438 HD2 LYS 52 HD2 LYS 52 -6.320 1.634 10.533 439 HD3 LYS 52 HD3 LYS 52 -6.288 -0.074 11.001 440 HE2 LYS 52 HE2 LYS 52 -4.276 0.519 12.432 441 HE3 LYS 52 HE3 LYS 52 -4.627 2.212 12.007 442 HZ1 LYS 52 HZ1 LYS 52 -6.351 0.366 13.561 443 HZ2 LYS 52 HZ2 LYS 52 -6.893 1.812 12.990 444 HZ3 LYS 52 HZ3 LYS 52 -5.673 1.766 14.078 445 H ILE 53 HN ILE 53 -3.436 -1.628 7.645 446 HA ILE 53 HA ILE 53 -0.777 -0.972 8.595 447 HB ILE 53 HB ILE 53 -2.062 -3.633 7.873 448 HG12 ILE 53 HG12 ILE 53 -1.495 -2.691 10.688 449 HG13 ILE 53 HG13 ILE 53 -2.967 -2.155 9.904 450 HG21 ILE 53 HG21 ILE 53 -0.206 -4.620 9.295 451 HG22 ILE 53 HG22 ILE 53 0.382 -3.842 7.822 452 HG23 ILE 53 HG23 ILE 53 0.525 -3.004 9.378 453 HD11 ILE 53 HD11 ILE 53 -2.193 -5.049 10.338 454 HD12 ILE 53 HD12 ILE 53 -3.375 -4.111 11.259 455 HD13 ILE 53 HD13 ILE 53 -3.688 -4.454 9.555 456 H TRP 54 HN TRP 54 -2.168 -1.962 5.432 457 HA TRP 54 HA TRP 54 0.427 -2.483 4.310 458 HB2 TRP 54 HB2 TRP 54 -1.920 -3.187 3.452 459 HB3 TRP 54 HB3 TRP 54 -1.951 -1.605 2.674 460 HD1 TRP 54 HD1 TRP 54 -0.645 -5.057 2.344 461 HE1 TRP 54 HE1 TRP 54 0.850 -5.310 0.270 462 HE3 TRP 54 HE3 TRP 54 -0.176 -0.118 1.063 463 HZ2 TRP 54 HZ2 TRP 54 2.271 -3.571 -1.560 464 HZ3 TRP 54 HZ3 TRP 54 1.247 0.550 -0.837 465 HH2 TRP 54 HH2 TRP 54 2.538 -1.147 -2.092 466 H PHE 55 HN PHE 55 -1.746 0.394 4.100 467 HA PHE 55 HA PHE 55 0.023 1.942 2.540 468 HB2 PHE 55 HB2 PHE 55 -2.322 2.578 4.305 469 HB3 PHE 55 HB3 PHE 55 -1.305 3.895 3.790 470 HD1 PHE 55 HD2 PHE 55 -3.520 1.186 2.528 471 HD2 PHE 55 HD1 PHE 55 -1.281 4.735 1.524 472 HE1 PHE 55 HE2 PHE 55 -4.713 1.341 0.357 473 HE2 PHE 55 HE1 PHE 55 -2.466 4.854 -0.655 474 HZ PHE 55 HZ PHE 55 -4.185 3.161 -1.227 475 H GLN 56 HN GLN 56 -0.020 1.588 6.118 476 HA GLN 56 HA GLN 56 1.971 3.645 6.529 477 HB2 GLN 56 HB2 GLN 56 2.290 2.778 8.693 478 HB3 GLN 56 HB3 GLN 56 0.520 2.863 8.356 479 HG2 GLN 56 HG2 GLN 56 0.634 0.470 7.896 480 HG3 GLN 56 HG3 GLN 56 2.308 0.471 8.486 481 HE21 GLN 56 HE21 GLN 56 -1.109 1.079 9.357 482 HE22 GLN 56 HE22 GLN 56 -0.863 0.488 11.017 483 H ASN 57 HN ASN 57 2.180 0.111 5.983 484 HA ASN 57 HA ASN 57 4.898 -0.130 6.650 485 HB2 ASN 57 HB2 ASN 57 2.853 -1.807 5.203 486 HB3 ASN 57 HB3 ASN 57 4.527 -2.147 4.851 487 HD21 ASN 57 HD21 ASN 57 2.231 -1.813 7.608 488 HD22 ASN 57 HD22 ASN 57 3.229 -2.709 8.728 489 H GLU 58 HN GLU 58 3.294 0.793 3.701 490 HA GLU 58 HA GLU 58 5.749 0.561 2.085 491 HB2 GLU 58 HB2 GLU 58 3.446 0.036 1.290 492 HB3 GLU 58 HB3 GLU 58 3.085 1.759 1.263 493 HG2 GLU 58 HG2 GLU 58 3.710 1.075 -0.989 494 HG3 GLU 58 HG3 GLU 58 4.967 2.118 -0.338 495 H ARG 59 HN ARG 59 3.698 3.209 3.457 496 HA ARG 59 HA ARG 59 5.143 5.356 2.357 497 HB2 ARG 59 HB2 ARG 59 3.173 5.144 4.419 498 HB3 ARG 59 HB3 ARG 59 4.540 5.950 5.153 499 HG2 ARG 59 HG2 ARG 59 4.540 7.471 3.015 500 HG3 ARG 59 HG3 ARG 59 2.943 6.790 2.723 501 HD2 ARG 59 HD2 ARG 59 2.515 8.781 3.835 502 HD3 ARG 59 HD3 ARG 59 2.353 7.570 5.122 503 HE ARG 59 HE ARG 59 4.995 8.327 5.261 504 HH11 ARG 59 HH11 ARG 59 1.936 10.126 5.506 505 HH12 ARG 59 HH12 ARG 59 2.627 11.563 6.133 506 HH21 ARG 59 HH21 ARG 59 5.952 10.104 6.242 507 HH22 ARG 59 HH22 ARG 59 5.034 11.509 6.639 508 H ALA 60 HN ALA 60 5.918 3.321 5.075 509 HA ALA 60 HA ALA 60 8.156 5.061 5.900 510 HB1 ALA 60 HB1 ALA 60 8.593 3.213 7.567 511 HB2 ALA 60 HB2 ALA 60 6.939 3.863 7.630 512 HB3 ALA 60 HB3 ALA 60 7.239 2.302 6.856 513 H LYS 61 HN LYS 61 7.827 1.802 4.276 514 HA LYS 61 HA LYS 61 10.671 1.474 4.124 515 HB2 LYS 61 HB2 LYS 61 10.327 -0.502 3.170 516 HB3 LYS 61 HB3 LYS 61 8.733 -0.271 3.875 517 HG2 LYS 61 HG2 LYS 61 7.952 0.513 1.572 518 HG3 LYS 61 HG3 LYS 61 9.547 0.031 0.964 519 HD2 LYS 61 HD2 LYS 61 9.009 -2.272 2.143 520 HD3 LYS 61 HD3 LYS 61 7.332 -1.681 2.114 521 HE2 LYS 61 HE2 LYS 61 8.069 -1.219 -0.459 522 HE3 LYS 61 HE3 LYS 61 9.188 -2.533 -0.089 523 HZ1 LYS 61 HZ1 LYS 61 6.255 -2.531 -0.068 524 HZ2 LYS 61 HZ2 LYS 61 7.131 -3.769 0.667 525 HZ3 LYS 61 HZ3 LYS 61 7.245 -3.510 -0.938 526 H TRP 62 HN TRP 62 8.293 2.776 1.737 527 HA TRP 62 HA TRP 62 10.261 3.295 -0.200 528 HB2 TRP 62 HB2 TRP 62 7.649 3.360 -0.331 529 HB3 TRP 62 HB3 TRP 62 7.839 5.051 0.084 530 HD1 TRP 62 HD1 TRP 62 8.024 2.591 -2.708 531 HE1 TRP 62 HE1 TRP 62 8.878 3.642 -4.907 532 HE3 TRP 62 HE3 TRP 62 9.419 7.158 -0.934 533 HZ2 TRP 62 HZ2 TRP 62 9.992 6.150 -5.770 534 HZ3 TRP 62 HZ3 TRP 62 10.462 8.852 -2.455 535 HH2 TRP 62 HH2 TRP 62 10.753 8.344 -4.862 536 H LYS 63 HN LYS 63 9.348 5.133 2.732 537 HA LYS 63 HA LYS 63 10.969 7.424 1.991 538 HB2 LYS 63 HB2 LYS 63 9.604 6.495 4.520 539 HB3 LYS 63 HB3 LYS 63 10.870 7.685 4.646 540 HG2 LYS 63 HG2 LYS 63 9.199 8.548 2.447 541 HG3 LYS 63 HG3 LYS 63 8.133 8.044 3.754 542 HD2 LYS 63 HD2 LYS 63 8.590 10.386 3.966 543 HD3 LYS 63 HD3 LYS 63 9.308 9.487 5.315 544 HE2 LYS 63 HE2 LYS 63 11.534 9.640 4.313 545 HE3 LYS 63 HE3 LYS 63 10.868 10.358 2.837 546 HZ1 LYS 63 HZ1 LYS 63 10.547 11.730 5.427 547 HZ2 LYS 63 HZ2 LYS 63 10.499 12.347 3.898 548 HZ3 LYS 63 HZ3 LYS 63 11.923 11.885 4.575 549 H ARG 64 HN ARG 64 12.072 4.261 2.717 550 HA ARG 64 HA ARG 64 14.675 5.332 3.618 551 HB2 ARG 64 HB2 ARG 64 13.976 2.467 2.893 552 HB3 ARG 64 HB3 ARG 64 15.412 3.062 3.722 553 HG2 ARG 64 HG2 ARG 64 13.679 3.908 5.543 554 HG3 ARG 64 HG3 ARG 64 12.594 2.768 4.748 555 HD2 ARG 64 HD2 ARG 64 13.480 1.350 6.326 556 HD3 ARG 64 HD3 ARG 64 14.678 1.094 5.052 557 HE ARG 64 HE ARG 64 14.994 3.147 7.211 558 HH11 ARG 64 HH11 ARG 64 16.244 0.096 5.901 559 HH12 ARG 64 HH12 ARG 64 17.865 0.361 6.508 560 HH21 ARG 64 HH21 ARG 64 17.064 3.406 8.127 561 HH22 ARG 64 HH22 ARG 64 18.334 2.291 7.801 562 H ILE 65 HN ILE 65 13.003 4.606 0.757 563 HA ILE 65 HA ILE 65 15.298 3.973 -0.898 564 HB ILE 65 HB ILE 65 12.510 4.813 -1.755 565 HG12 ILE 65 HG12 ILE 65 13.622 2.005 -1.412 566 HG13 ILE 65 HG13 ILE 65 12.529 2.768 -0.285 567 HG21 ILE 65 HG21 ILE 65 13.022 3.714 -3.893 568 HG22 ILE 65 HG22 ILE 65 14.143 5.021 -3.582 569 HG23 ILE 65 HG23 ILE 65 14.676 3.351 -3.306 570 HD11 ILE 65 HD11 ILE 65 11.930 1.847 -3.082 571 HD12 ILE 65 HD12 ILE 65 11.113 1.443 -1.559 572 HD13 ILE 65 HD13 ILE 65 10.931 3.061 -2.279 573 H LYS 66 HN LYS 66 13.502 6.893 -0.174 574 HA LYS 66 HA LYS 66 14.200 8.616 -2.232 575 HB2 LYS 66 HB2 LYS 66 13.416 10.400 -0.792 576 HB3 LYS 66 HB3 LYS 66 12.359 9.010 -0.865 577 HG2 LYS 66 HG2 LYS 66 12.207 9.203 1.350 578 HG3 LYS 66 HG3 LYS 66 13.764 8.391 1.396 579 HD2 LYS 66 HD2 LYS 66 14.090 11.272 1.032 580 HD3 LYS 66 HD3 LYS 66 13.082 10.952 2.435 581 HE2 LYS 66 HE2 LYS 66 15.785 9.697 1.890 582 HE3 LYS 66 HE3 LYS 66 15.563 11.121 2.887 583 HZ1 LYS 66 HZ1 LYS 66 14.359 9.887 4.470 584 HZ2 LYS 66 HZ2 LYS 66 15.787 9.111 4.173 585 HZ3 LYS 66 HZ3 LYS 66 14.396 8.501 3.542 586 H ALA 67 HN ALA 67 16.547 7.791 -2.312 587 HA ALA 67 HA ALA 67 18.395 8.231 -0.479 588 HB1 ALA 67 HB1 ALA 67 20.098 8.101 -2.229 589 HB2 ALA 67 HB2 ALA 67 18.777 6.931 -2.504 590 HB3 ALA 67 HB3 ALA 67 18.869 8.441 -3.461 591 H GLY 68 HN GLY 68 17.687 10.550 -3.033 592 HA2 GLY 68 HA1 GLY 68 19.721 12.436 -2.363 593 HA3 GLY 68 HA2 GLY 68 18.329 12.765 -3.395 594 H ASN 69 HN ASN 69 19.338 12.355 -0.092 595 HA ASN 69 HA ASN 69 17.905 14.643 0.963 596 HB2 ASN 69 HB2 ASN 69 16.288 12.551 0.958 597 HB3 ASN 69 HB3 ASN 69 17.422 11.891 2.143 598 HD21 ASN 69 HD21 ASN 69 16.284 15.328 1.891 599 HD22 ASN 69 HD22 ASN 69 15.877 15.395 3.581 600 H VAL 70 HN VAL 70 20.710 13.612 0.557 601 HA VAL 70 HA VAL 70 21.732 12.873 3.153 602 HB VAL 70 HB VAL 70 22.801 12.639 0.787 603 HG11 VAL 70 HG11 VAL 70 24.044 15.327 1.504 604 HG12 VAL 70 HG12 VAL 70 24.361 14.330 0.072 605 HG13 VAL 70 HG13 VAL 70 22.792 15.124 0.272 606 HG21 VAL 70 HG21 VAL 70 25.071 12.565 1.734 607 HG22 VAL 70 HG22 VAL 70 24.510 13.460 3.157 608 HG23 VAL 70 HG23 VAL 70 23.879 11.835 2.821 609 H SER 71 HN SER 71 20.379 15.693 2.019 610 HA SER 71 HA SER 71 21.224 17.263 4.287 611 HB2 SER 71 HB2 SER 71 21.831 19.230 3.009 612 HB3 SER 71 HB3 SER 71 22.879 17.897 2.549 613 HG SER 71 HG SER 71 20.954 19.285 1.088 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 14.256 4.876 -12.146 2 HA2 GLY 1 HA1 GLY 1 14.616 3.250 -9.690 3 HA3 GLY 1 HA2 GLY 1 13.078 3.955 -10.230 4 H ALA 2 HN ALA 2 15.379 1.326 -10.683 5 HA ALA 2 HA ALA 2 13.648 0.121 -12.805 6 HB1 ALA 2 HB1 ALA 2 15.787 0.979 -13.649 7 HB2 ALA 2 HB2 ALA 2 16.661 0.003 -12.452 8 HB3 ALA 2 HB3 ALA 2 15.721 -0.797 -13.729 9 HA PRO 3 HA PRO 3 13.870 -2.924 -9.291 10 HB2 PRO 3 HB2 PRO 3 11.156 -3.357 -8.960 11 HB3 PRO 3 HB3 PRO 3 12.102 -2.102 -8.113 12 HG2 PRO 3 HG2 PRO 3 10.354 -1.758 -10.541 13 HG3 PRO 3 HG3 PRO 3 10.474 -0.727 -9.094 14 HD2 PRO 3 HD2 PRO 3 11.781 -0.170 -11.439 15 HD3 PRO 3 HD3 PRO 3 12.447 0.258 -9.834 16 H GLY 4 HN GLY 4 12.754 -5.217 -9.319 17 HA2 GLY 4 HA1 GLY 4 11.632 -6.218 -11.770 18 HA3 GLY 4 HA2 GLY 4 13.333 -6.694 -11.553 19 H GLY 5 HN GLY 5 10.076 -6.859 -10.108 20 HA2 GLY 5 HA1 GLY 5 9.194 -8.437 -8.660 21 HA3 GLY 5 HA2 GLY 5 10.744 -9.302 -8.678 22 H LYS 6 HN LYS 6 10.049 -9.456 -6.328 23 HA LYS 6 HA LYS 6 11.907 -8.146 -4.861 24 HB2 LYS 6 HB2 LYS 6 9.293 -6.731 -4.608 25 HB3 LYS 6 HB3 LYS 6 9.888 -7.316 -3.071 26 HG2 LYS 6 HG2 LYS 6 11.285 -5.358 -4.905 27 HG3 LYS 6 HG3 LYS 6 10.571 -5.072 -3.338 28 HD2 LYS 6 HD2 LYS 6 12.619 -5.321 -2.467 29 HD3 LYS 6 HD3 LYS 6 12.456 -7.057 -2.746 30 HE2 LYS 6 HE2 LYS 6 13.480 -6.720 -5.041 31 HE3 LYS 6 HE3 LYS 6 13.606 -4.995 -4.675 32 HZ1 LYS 6 HZ1 LYS 6 15.678 -5.799 -4.153 33 HZ2 LYS 6 HZ2 LYS 6 15.135 -7.201 -3.525 34 HZ3 LYS 6 HZ3 LYS 6 14.991 -5.821 -2.672 35 H SER 7 HN SER 7 8.722 -9.419 -4.457 36 HA SER 7 HA SER 7 7.792 -11.139 -3.304 37 HB2 SER 7 HB2 SER 7 10.429 -12.566 -3.655 38 HB3 SER 7 HB3 SER 7 8.793 -13.264 -3.630 39 HG SER 7 HG SER 7 8.409 -12.428 -5.666 40 H ARG 8 HN ARG 8 9.926 -9.309 -1.602 41 HA ARG 8 HA ARG 8 10.443 -11.123 0.594 42 HB2 ARG 8 HB2 ARG 8 10.613 -8.073 0.423 43 HB3 ARG 8 HB3 ARG 8 11.002 -9.007 1.870 44 HG2 ARG 8 HG2 ARG 8 12.663 -10.333 0.459 45 HG3 ARG 8 HG3 ARG 8 12.432 -9.111 -0.807 46 HD2 ARG 8 HD2 ARG 8 13.118 -7.348 0.823 47 HD3 ARG 8 HD3 ARG 8 13.371 -8.586 2.060 48 HE ARG 8 HE ARG 8 15.073 -7.898 -0.194 49 HH11 ARG 8 HH11 ARG 8 14.309 -10.684 1.982 50 HH12 ARG 8 HH12 ARG 8 15.958 -11.222 1.952 51 HH21 ARG 8 HH21 ARG 8 17.197 -8.839 -0.265 52 HH22 ARG 8 HH22 ARG 8 17.426 -10.399 0.515 53 H ARG 9 HN ARG 9 9.263 -11.586 2.306 54 HA ARG 9 HA ARG 9 8.143 -11.336 4.166 55 HB2 ARG 9 HB2 ARG 9 9.067 -8.942 3.867 56 HB3 ARG 9 HB3 ARG 9 7.393 -8.478 3.550 57 HG2 ARG 9 HG2 ARG 9 6.718 -9.385 5.748 58 HG3 ARG 9 HG3 ARG 9 8.368 -9.958 6.046 59 HD2 ARG 9 HD2 ARG 9 7.577 -7.048 5.639 60 HD3 ARG 9 HD3 ARG 9 7.827 -7.815 7.220 61 HE ARG 9 HE ARG 9 10.176 -8.323 5.847 62 HH11 ARG 9 HH11 ARG 9 8.430 -5.357 6.702 63 HH12 ARG 9 HH12 ARG 9 9.809 -4.320 6.472 64 HH21 ARG 9 HH21 ARG 9 12.050 -7.058 5.981 65 HH22 ARG 9 HH22 ARG 9 12.010 -5.367 6.200 66 H ARG 10 HN ARG 10 6.324 -12.286 4.669 67 HA ARG 10 HA ARG 10 4.275 -12.885 3.000 68 HB2 ARG 10 HB2 ARG 10 3.156 -13.796 4.897 69 HB3 ARG 10 HB3 ARG 10 4.878 -13.894 5.259 70 HG2 ARG 10 HG2 ARG 10 4.565 -11.653 6.509 71 HG3 ARG 10 HG3 ARG 10 2.816 -11.953 6.342 72 HD2 ARG 10 HD2 ARG 10 3.339 -14.238 7.439 73 HD3 ARG 10 HD3 ARG 10 4.873 -13.522 7.916 74 HE ARG 10 HE ARG 10 2.796 -13.438 9.470 75 HH11 ARG 10 HH11 ARG 10 3.959 -10.526 7.743 76 HH12 ARG 10 HH12 ARG 10 3.227 -9.452 8.892 77 HH21 ARG 10 HH21 ARG 10 2.167 -12.042 11.031 78 HH22 ARG 10 HH22 ARG 10 2.315 -10.340 10.860 79 H ARG 11 HN ARG 11 2.122 -12.296 2.721 80 HA ARG 11 HA ARG 11 1.404 -9.479 3.359 81 HB2 ARG 11 HB2 ARG 11 0.438 -9.297 1.107 82 HB3 ARG 11 HB3 ARG 11 2.162 -9.622 1.047 83 HG2 ARG 11 HG2 ARG 11 1.747 -11.983 0.525 84 HG3 ARG 11 HG3 ARG 11 0.016 -11.775 0.715 85 HD2 ARG 11 HD2 ARG 11 0.655 -11.844 -1.628 86 HD3 ARG 11 HD3 ARG 11 -0.080 -10.285 -1.200 87 HE ARG 11 HE ARG 11 2.741 -10.057 -0.953 88 HH11 ARG 11 HH11 ARG 11 0.363 -10.624 -3.517 89 HH12 ARG 11 HH12 ARG 11 1.419 -10.100 -4.791 90 HH21 ARG 11 HH21 ARG 11 3.964 -8.993 -2.575 91 HH22 ARG 11 HH22 ARG 11 3.369 -8.885 -4.196 92 H THR 12 HN THR 12 -1.136 -9.424 2.413 93 HA THR 12 HA THR 12 -2.582 -11.681 3.648 94 HB THR 12 HB THR 12 -3.910 -9.089 3.043 95 HG1 THR 12 HG1 THR 12 -2.047 -9.392 5.146 96 HG21 THR 12 HG21 THR 12 -5.254 -10.943 3.894 97 HG22 THR 12 HG22 THR 12 -5.195 -9.637 5.086 98 HG23 THR 12 HG23 THR 12 -4.206 -11.087 5.328 99 H ALA 13 HN ALA 13 -4.374 -12.441 2.414 100 HA ALA 13 HA ALA 13 -3.794 -12.817 -0.340 101 HB1 ALA 13 HB1 ALA 13 -6.334 -13.322 1.265 102 HB2 ALA 13 HB2 ALA 13 -6.014 -13.929 -0.374 103 HB3 ALA 13 HB3 ALA 13 -5.007 -14.476 0.974 104 H PHE 14 HN PHE 14 -3.693 -11.020 -1.495 105 HA PHE 14 HA PHE 14 -6.231 -9.573 -2.163 106 HB2 PHE 14 HB2 PHE 14 -3.334 -8.613 -2.107 107 HB3 PHE 14 HB3 PHE 14 -4.523 -7.871 -3.141 108 HD1 PHE 14 HD1 PHE 14 -4.690 -8.859 0.543 109 HD2 PHE 14 HD2 PHE 14 -5.014 -5.737 -2.415 110 HE1 PHE 14 HE1 PHE 14 -5.102 -7.235 2.323 111 HE2 PHE 14 HE2 PHE 14 -5.567 -4.142 -0.618 112 HZ PHE 14 HZ PHE 14 -5.515 -4.845 1.750 113 H THR 15 HN THR 15 -6.805 -9.855 -4.335 114 HA THR 15 HA THR 15 -5.057 -11.416 -6.079 115 HB THR 15 HB THR 15 -6.685 -11.148 -7.768 116 HG1 THR 15 HG1 THR 15 -8.605 -10.289 -7.513 117 HG21 THR 15 HG21 THR 15 -8.432 -12.591 -6.733 118 HG22 THR 15 HG22 THR 15 -7.928 -12.052 -5.121 119 HG23 THR 15 HG23 THR 15 -6.822 -13.031 -6.114 120 H SER 16 HN SER 16 -4.754 -10.541 -8.404 121 HA SER 16 HA SER 16 -2.942 -8.410 -8.074 122 HB2 SER 16 HB2 SER 16 -2.388 -8.818 -10.326 123 HB3 SER 16 HB3 SER 16 -2.685 -10.323 -9.426 124 HG SER 16 HG SER 16 -4.935 -9.973 -10.484 125 H GLU 17 HN GLU 17 -6.303 -8.332 -9.152 126 HA GLU 17 HA GLU 17 -6.486 -5.753 -10.242 127 HB2 GLU 17 HB2 GLU 17 -8.165 -7.605 -10.282 128 HB3 GLU 17 HB3 GLU 17 -8.311 -7.509 -8.517 129 HG2 GLU 17 HG2 GLU 17 -9.105 -5.201 -8.707 130 HG3 GLU 17 HG3 GLU 17 -8.988 -5.315 -10.466 131 H GLN 18 HN GLN 18 -6.859 -7.076 -6.938 132 HA GLN 18 HA GLN 18 -7.399 -4.550 -5.708 133 HB2 GLN 18 HB2 GLN 18 -6.332 -6.995 -4.259 134 HB3 GLN 18 HB3 GLN 18 -7.419 -5.765 -3.639 135 HG2 GLN 18 HG2 GLN 18 -9.169 -6.647 -5.300 136 HG3 GLN 18 HG3 GLN 18 -8.023 -7.902 -5.699 137 HE21 GLN 18 HE21 GLN 18 -10.493 -7.015 -3.235 138 HE22 GLN 18 HE22 GLN 18 -10.184 -8.416 -2.293 139 H LEU 19 HN LEU 19 -4.463 -6.393 -6.379 140 HA LEU 19 HA LEU 19 -2.701 -4.626 -4.852 141 HB2 LEU 19 HB2 LEU 19 -2.283 -6.634 -7.093 142 HB3 LEU 19 HB3 LEU 19 -0.979 -5.786 -6.328 143 HG LEU 19 HG LEU 19 -2.862 -7.685 -4.868 144 HD11 LEU 19 HD11 LEU 19 0.014 -8.105 -5.782 145 HD12 LEU 19 HD12 LEU 19 -1.426 -8.818 -6.544 146 HD13 LEU 19 HD13 LEU 19 -1.024 -9.262 -4.892 147 HD21 LEU 19 HD21 LEU 19 -1.946 -6.064 -3.326 148 HD22 LEU 19 HD22 LEU 19 -0.301 -6.322 -3.971 149 HD23 LEU 19 HD23 LEU 19 -1.143 -7.619 -3.078 150 H LEU 20 HN LEU 20 -4.390 -4.134 -7.792 151 HA LEU 20 HA LEU 20 -2.233 -2.639 -9.151 152 HB2 LEU 20 HB2 LEU 20 -4.140 -4.114 -10.248 153 HB3 LEU 20 HB3 LEU 20 -5.100 -2.672 -10.061 154 HG LEU 20 HG LEU 20 -2.493 -2.999 -11.609 155 HD11 LEU 20 HD11 LEU 20 -4.548 -3.986 -12.621 156 HD12 LEU 20 HD12 LEU 20 -3.887 -2.639 -13.589 157 HD13 LEU 20 HD13 LEU 20 -5.322 -2.404 -12.553 158 HD21 LEU 20 HD21 LEU 20 -2.441 -0.704 -10.841 159 HD22 LEU 20 HD22 LEU 20 -4.161 -0.467 -11.273 160 HD23 LEU 20 HD23 LEU 20 -2.925 -0.701 -12.537 161 H GLU 21 HN GLU 21 -5.542 -2.030 -8.008 162 HA GLU 21 HA GLU 21 -5.720 0.711 -8.366 163 HB2 GLU 21 HB2 GLU 21 -6.950 -0.912 -6.097 164 HB3 GLU 21 HB3 GLU 21 -7.545 0.617 -6.746 165 HG2 GLU 21 HG2 GLU 21 -7.415 -1.028 -9.022 166 HG3 GLU 21 HG3 GLU 21 -7.848 -2.167 -7.774 167 H LEU 22 HN LEU 22 -4.672 -1.057 -5.569 168 HA LEU 22 HA LEU 22 -3.996 0.934 -3.747 169 HB2 LEU 22 HB2 LEU 22 -3.206 -1.904 -4.298 170 HB3 LEU 22 HB3 LEU 22 -2.047 -1.004 -3.346 171 HG LEU 22 HG LEU 22 -3.530 -0.597 -1.581 172 HD11 LEU 22 HD11 LEU 22 -5.768 -1.641 -3.356 173 HD12 LEU 22 HD12 LEU 22 -5.648 -0.005 -2.704 174 HD13 LEU 22 HD13 LEU 22 -5.946 -1.362 -1.609 175 HD21 LEU 22 HD21 LEU 22 -2.666 -3.019 -2.097 176 HD22 LEU 22 HD22 LEU 22 -4.342 -3.382 -2.431 177 HD23 LEU 22 HD23 LEU 22 -3.867 -2.778 -0.819 178 H ARG 23 HN ARG 23 -2.165 0.090 -6.649 179 HA ARG 23 HA ARG 23 0.323 1.332 -5.609 180 HB2 ARG 23 HB2 ARG 23 -0.397 0.107 -8.313 181 HB3 ARG 23 HB3 ARG 23 1.172 0.799 -7.923 182 HG2 ARG 23 HG2 ARG 23 1.747 -0.915 -6.423 183 HG3 ARG 23 HG3 ARG 23 0.069 -1.401 -6.175 184 HD2 ARG 23 HD2 ARG 23 1.063 -3.090 -7.503 185 HD3 ARG 23 HD3 ARG 23 -0.055 -2.192 -8.527 186 HE ARG 23 HE ARG 23 2.474 -1.028 -8.886 187 HH11 ARG 23 HH11 ARG 23 0.695 -4.073 -9.651 188 HH12 ARG 23 HH12 ARG 23 1.768 -4.506 -10.907 189 HH21 ARG 23 HH21 ARG 23 3.811 -1.606 -10.721 190 HH22 ARG 23 HH22 ARG 23 3.308 -2.958 -11.687 191 H LYS 24 HN LYS 24 -2.559 2.086 -7.488 192 HA LYS 24 HA LYS 24 -1.367 4.511 -8.600 193 HB2 LYS 24 HB2 LYS 24 -4.159 3.290 -8.655 194 HB3 LYS 24 HB3 LYS 24 -3.885 4.940 -9.190 195 HG2 LYS 24 HG2 LYS 24 -2.268 2.594 -10.292 196 HG3 LYS 24 HG3 LYS 24 -3.805 3.101 -10.993 197 HD2 LYS 24 HD2 LYS 24 -2.898 4.827 -12.062 198 HD3 LYS 24 HD3 LYS 24 -2.100 5.435 -10.622 199 HE2 LYS 24 HE2 LYS 24 -0.277 3.674 -11.040 200 HE3 LYS 24 HE3 LYS 24 -1.042 3.402 -12.621 201 HZ1 LYS 24 HZ1 LYS 24 0.054 5.945 -11.599 202 HZ2 LYS 24 HZ2 LYS 24 -0.750 5.800 -13.029 203 HZ3 LYS 24 HZ3 LYS 24 0.710 5.072 -12.818 204 H GLU 25 HN GLU 25 -3.726 3.631 -5.989 205 HA GLU 25 HA GLU 25 -3.941 6.309 -4.992 206 HB2 GLU 25 HB2 GLU 25 -4.235 3.633 -3.622 207 HB3 GLU 25 HB3 GLU 25 -4.572 5.173 -2.835 208 HG2 GLU 25 HG2 GLU 25 -6.648 5.125 -3.581 209 HG3 GLU 25 HG3 GLU 25 -6.038 5.402 -5.199 210 H PHE 26 HN PHE 26 -1.418 3.875 -4.513 211 HA PHE 26 HA PHE 26 -0.166 4.941 -2.272 212 HB2 PHE 26 HB2 PHE 26 0.513 2.829 -3.431 213 HB3 PHE 26 HB3 PHE 26 1.254 3.799 -4.706 214 HD1 PHE 26 HD2 PHE 26 1.238 3.310 -0.982 215 HD2 PHE 26 HD1 PHE 26 3.504 4.433 -4.457 216 HE1 PHE 26 HE2 PHE 26 3.220 3.697 0.441 217 HE2 PHE 26 HE1 PHE 26 5.515 4.806 -3.037 218 HZ PHE 26 HZ PHE 26 5.373 4.474 -0.589 219 H HIS 27 HN HIS 27 -0.299 6.346 -5.522 220 HA HIS 27 HA HIS 27 1.558 8.492 -4.618 221 HB2 HIS 27 HB2 HIS 27 2.159 8.907 -6.828 222 HB3 HIS 27 HB3 HIS 27 2.410 7.216 -6.481 223 HD1 HIS 27 HD1 HIS 27 -0.302 9.397 -8.312 224 HD2 HIS 27 HD2 HIS 27 1.573 5.597 -8.351 225 HE1 HIS 27 HE1 HIS 27 -1.034 8.253 -10.428 226 H CYS 28 HN CYS 28 -1.671 8.020 -4.573 227 HA CYS 28 HA CYS 28 -2.520 10.622 -5.655 228 HB2 CYS 28 HB2 CYS 28 -3.876 8.520 -3.898 229 HB3 CYS 28 HB3 CYS 28 -4.595 10.088 -4.240 230 HG CYS 28 HG CYS 28 -4.965 9.957 -6.622 231 H LYS 29 HN LYS 29 -2.185 9.231 -2.321 232 HA LYS 29 HA LYS 29 -2.315 12.021 -1.303 233 HB2 LYS 29 HB2 LYS 29 -4.536 10.759 -1.641 234 HB3 LYS 29 HB3 LYS 29 -4.030 9.733 -0.298 235 HG2 LYS 29 HG2 LYS 29 -3.925 11.768 1.164 236 HG3 LYS 29 HG3 LYS 29 -4.396 12.771 -0.220 237 HD2 LYS 29 HD2 LYS 29 -6.541 11.569 -0.428 238 HD3 LYS 29 HD3 LYS 29 -6.057 10.442 0.842 239 HE2 LYS 29 HE2 LYS 29 -7.557 11.930 1.848 240 HE3 LYS 29 HE3 LYS 29 -5.960 12.395 2.455 241 HZ1 LYS 29 HZ1 LYS 29 -7.417 14.263 1.770 242 HZ2 LYS 29 HZ2 LYS 29 -7.423 13.713 0.233 243 HZ3 LYS 29 HZ3 LYS 29 -6.026 14.272 0.927 244 H LYS 30 HN LYS 30 -1.244 12.451 0.446 245 HA LYS 30 HA LYS 30 0.849 10.939 1.482 246 HB2 LYS 30 HB2 LYS 30 0.771 12.661 3.369 247 HB3 LYS 30 HB3 LYS 30 0.970 13.271 1.729 248 HG2 LYS 30 HG2 LYS 30 -1.371 13.915 1.599 249 HG3 LYS 30 HG3 LYS 30 -1.709 13.096 3.118 250 HD2 LYS 30 HD2 LYS 30 -1.667 15.448 3.517 251 HD3 LYS 30 HD3 LYS 30 -0.222 14.765 4.281 252 HE2 LYS 30 HE2 LYS 30 1.185 15.556 2.463 253 HE3 LYS 30 HE3 LYS 30 -0.237 16.063 1.518 254 HZ1 LYS 30 HZ1 LYS 30 0.441 17.167 4.165 255 HZ2 LYS 30 HZ2 LYS 30 -0.707 17.718 3.124 256 HZ3 LYS 30 HZ3 LYS 30 0.896 17.889 2.772 257 H TYR 31 HN TYR 31 -2.533 10.932 2.627 258 HA TYR 31 HA TYR 31 -1.981 8.567 4.187 259 HB2 TYR 31 HB2 TYR 31 -3.001 9.514 6.263 260 HB3 TYR 31 HB3 TYR 31 -1.432 10.179 5.880 261 HD1 TYR 31 HD2 TYR 31 -5.112 10.963 5.712 262 HD2 TYR 31 HD1 TYR 31 -1.076 12.523 5.736 263 HE1 TYR 31 HE2 TYR 31 -6.002 13.251 5.880 264 HE2 TYR 31 HE1 TYR 31 -1.970 14.810 6.000 265 HH TYR 31 HH TYR 31 -3.878 16.149 6.075 266 H LEU 32 HN LEU 32 -4.049 7.507 4.677 267 HA LEU 32 HA LEU 32 -6.401 8.767 3.331 268 HB2 LEU 32 HB2 LEU 32 -5.734 5.843 3.788 269 HB3 LEU 32 HB3 LEU 32 -7.394 6.398 3.672 270 HG LEU 32 HG LEU 32 -6.578 7.682 1.511 271 HD11 LEU 32 HD11 LEU 32 -4.211 7.215 1.732 272 HD12 LEU 32 HD12 LEU 32 -4.846 6.424 0.293 273 HD13 LEU 32 HD13 LEU 32 -4.547 5.450 1.756 274 HD21 LEU 32 HD21 LEU 32 -6.841 4.664 1.252 275 HD22 LEU 32 HD22 LEU 32 -7.222 5.908 0.065 276 HD23 LEU 32 HD23 LEU 32 -8.200 5.743 1.518 277 H SER 33 HN SER 33 -7.905 9.534 4.504 278 HA SER 33 HA SER 33 -8.070 9.204 7.418 279 HB2 SER 33 HB2 SER 33 -9.909 10.558 5.400 280 HB3 SER 33 HB3 SER 33 -10.021 10.679 7.167 281 HG SER 33 HG SER 33 -7.973 11.586 7.207 282 H LEU 34 HN LEU 34 -10.706 8.634 7.968 283 HA LEU 34 HA LEU 34 -10.722 5.788 7.453 284 HB2 LEU 34 HB2 LEU 34 -12.627 7.635 8.922 285 HB3 LEU 34 HB3 LEU 34 -12.881 5.923 8.650 286 HG LEU 34 HG LEU 34 -10.377 5.714 9.609 287 HD11 LEU 34 HD11 LEU 34 -10.030 7.272 11.499 288 HD12 LEU 34 HD12 LEU 34 -11.429 8.229 10.962 289 HD13 LEU 34 HD13 LEU 34 -9.980 8.096 9.941 290 HD21 LEU 34 HD21 LEU 34 -12.804 6.040 11.385 291 HD22 LEU 34 HD22 LEU 34 -11.299 5.171 11.779 292 HD23 LEU 34 HD23 LEU 34 -12.340 4.580 10.476 293 H THR 35 HN THR 35 -12.603 8.619 6.362 294 HA THR 35 HA THR 35 -14.478 7.285 4.721 295 HB THR 35 HB THR 35 -13.172 10.027 4.699 296 HG1 THR 35 HG1 THR 35 -14.628 9.641 6.333 297 HG21 THR 35 HG21 THR 35 -14.939 10.800 3.151 298 HG22 THR 35 HG22 THR 35 -15.397 9.096 2.852 299 HG23 THR 35 HG23 THR 35 -13.807 9.711 2.367 300 H GLU 36 HN GLU 36 -11.434 8.809 3.633 301 HA GLU 36 HA GLU 36 -11.344 7.897 1.078 302 HB2 GLU 36 HB2 GLU 36 -8.918 7.855 2.902 303 HB3 GLU 36 HB3 GLU 36 -8.934 8.014 1.180 304 HG2 GLU 36 HG2 GLU 36 -8.841 10.025 3.158 305 HG3 GLU 36 HG3 GLU 36 -8.760 10.207 1.409 306 H ARG 37 HN ARG 37 -10.227 6.110 3.952 307 HA ARG 37 HA ARG 37 -9.351 3.815 2.461 308 HB2 ARG 37 HB2 ARG 37 -8.788 4.738 4.887 309 HB3 ARG 37 HB3 ARG 37 -10.086 3.648 5.389 310 HG2 ARG 37 HG2 ARG 37 -8.805 1.808 4.160 311 HG3 ARG 37 HG3 ARG 37 -7.524 2.960 3.871 312 HD2 ARG 37 HD2 ARG 37 -8.487 2.537 6.724 313 HD3 ARG 37 HD3 ARG 37 -7.441 1.352 5.953 314 HE ARG 37 HE ARG 37 -5.669 2.773 5.859 315 HH11 ARG 37 HH11 ARG 37 -8.442 4.702 6.969 316 HH12 ARG 37 HH12 ARG 37 -7.460 6.130 7.124 317 HH21 ARG 37 HH21 ARG 37 -4.422 4.544 6.406 318 HH22 ARG 37 HH22 ARG 37 -5.177 6.026 6.916 319 H SER 38 HN SER 38 -12.453 4.566 4.057 320 HA SER 38 HA SER 38 -13.667 2.033 3.939 321 HB2 SER 38 HB2 SER 38 -14.514 4.058 5.130 322 HB3 SER 38 HB3 SER 38 -14.897 4.800 3.576 323 HG SER 38 HG SER 38 -16.010 2.429 4.686 324 H GLN 39 HN GLN 39 -13.383 4.626 1.460 325 HA GLN 39 HA GLN 39 -14.949 3.281 -0.517 326 HB2 GLN 39 HB2 GLN 39 -12.728 5.359 -0.809 327 HB3 GLN 39 HB3 GLN 39 -13.799 4.836 -2.111 328 HG2 GLN 39 HG2 GLN 39 -15.750 5.704 -0.987 329 HG3 GLN 39 HG3 GLN 39 -14.852 6.022 0.493 330 HE21 GLN 39 HE21 GLN 39 -13.386 7.753 0.593 331 HE22 GLN 39 HE22 GLN 39 -13.348 9.039 -0.623 332 H ILE 40 HN ILE 40 -11.329 3.450 -0.206 333 HA ILE 40 HA ILE 40 -10.827 1.646 -2.329 334 HB ILE 40 HB ILE 40 -9.124 2.050 0.160 335 HG12 ILE 40 HG12 ILE 40 -9.362 4.244 -0.568 336 HG13 ILE 40 HG13 ILE 40 -7.855 3.739 -1.299 337 HG21 ILE 40 HG21 ILE 40 -8.260 0.190 -1.174 338 HG22 ILE 40 HG22 ILE 40 -8.338 1.166 -2.647 339 HG23 ILE 40 HG23 ILE 40 -7.188 1.585 -1.373 340 HD11 ILE 40 HD11 ILE 40 -9.175 3.241 -3.423 341 HD12 ILE 40 HD12 ILE 40 -10.569 3.990 -2.615 342 HD13 ILE 40 HD13 ILE 40 -9.117 4.954 -2.949 343 H ALA 41 HN ALA 41 -11.927 1.043 0.776 344 HA ALA 41 HA ALA 41 -11.050 -1.772 1.035 345 HB1 ALA 41 HB1 ALA 41 -11.346 -0.450 3.080 346 HB2 ALA 41 HB2 ALA 41 -13.049 -0.171 2.701 347 HB3 ALA 41 HB3 ALA 41 -12.485 -1.805 3.056 348 H HIS 42 HN HIS 42 -14.227 -0.088 0.700 349 HA HIS 42 HA HIS 42 -15.515 -2.570 0.070 350 HB2 HIS 42 HB2 HIS 42 -16.450 -0.324 1.075 351 HB3 HIS 42 HB3 HIS 42 -16.720 0.120 -0.603 352 HD1 HIS 42 HD1 HIS 42 -17.603 -2.689 1.917 353 HD2 HIS 42 HD2 HIS 42 -18.870 -1.045 -1.763 354 HE1 HIS 42 HE1 HIS 42 -19.854 -3.746 1.400 355 H ALA 43 HN ALA 43 -13.880 -0.145 -1.903 356 HA ALA 43 HA ALA 43 -15.090 -0.829 -4.421 357 HB1 ALA 43 HB1 ALA 43 -13.091 0.237 -5.422 358 HB2 ALA 43 HB2 ALA 43 -13.777 1.240 -4.129 359 HB3 ALA 43 HB3 ALA 43 -12.306 0.270 -3.829 360 H LEU 44 HN LEU 44 -12.671 -2.335 -2.451 361 HA LEU 44 HA LEU 44 -12.041 -4.389 -4.515 362 HB2 LEU 44 HB2 LEU 44 -10.564 -3.565 -1.981 363 HB3 LEU 44 HB3 LEU 44 -10.033 -4.788 -3.139 364 HG LEU 44 HG LEU 44 -10.331 -1.816 -3.760 365 HD11 LEU 44 HD11 LEU 44 -7.811 -3.478 -3.396 366 HD12 LEU 44 HD12 LEU 44 -8.470 -2.313 -2.221 367 HD13 LEU 44 HD13 LEU 44 -7.939 -1.752 -3.807 368 HD21 LEU 44 HD21 LEU 44 -9.494 -4.200 -5.443 369 HD22 LEU 44 HD22 LEU 44 -9.016 -2.528 -5.823 370 HD23 LEU 44 HD23 LEU 44 -10.713 -2.964 -5.771 371 H LYS 45 HN LYS 45 -14.249 -3.973 -2.191 372 HA LYS 45 HA LYS 45 -15.243 -5.064 -0.548 373 HB2 LYS 45 HB2 LYS 45 -15.467 -6.364 -2.858 374 HB3 LYS 45 HB3 LYS 45 -14.743 -7.679 -1.944 375 HG2 LYS 45 HG2 LYS 45 -16.871 -6.385 -0.371 376 HG3 LYS 45 HG3 LYS 45 -17.470 -6.714 -1.980 377 HD2 LYS 45 HD2 LYS 45 -16.263 -8.712 -0.029 378 HD3 LYS 45 HD3 LYS 45 -17.968 -8.527 -0.417 379 HE2 LYS 45 HE2 LYS 45 -15.777 -9.464 -2.327 380 HE3 LYS 45 HE3 LYS 45 -16.971 -10.486 -1.538 381 HZ1 LYS 45 HZ1 LYS 45 -17.431 -8.532 -3.672 382 HZ2 LYS 45 HZ2 LYS 45 -18.667 -9.071 -2.762 383 HZ3 LYS 45 HZ3 LYS 45 -17.798 -10.138 -3.652 384 H LEU 46 HN LEU 46 -12.573 -4.716 -0.040 385 HA LEU 46 HA LEU 46 -11.790 -6.939 1.832 386 HB2 LEU 46 HB2 LEU 46 -10.325 -4.565 0.629 387 HB3 LEU 46 HB3 LEU 46 -9.696 -5.353 2.060 388 HG LEU 46 HG LEU 46 -10.319 -7.020 -0.397 389 HD11 LEU 46 HD11 LEU 46 -7.906 -6.662 -1.037 390 HD12 LEU 46 HD12 LEU 46 -7.848 -5.361 0.183 391 HD13 LEU 46 HD13 LEU 46 -8.914 -5.219 -1.211 392 HD21 LEU 46 HD21 LEU 46 -9.763 -8.213 1.733 393 HD22 LEU 46 HD22 LEU 46 -8.226 -7.322 1.818 394 HD23 LEU 46 HD23 LEU 46 -8.507 -8.448 0.498 395 H SER 47 HN SER 47 -11.016 -6.045 4.033 396 HA SER 47 HA SER 47 -12.793 -3.933 5.040 397 HB2 SER 47 HB2 SER 47 -10.669 -5.729 6.270 398 HB3 SER 47 HB3 SER 47 -11.328 -4.392 7.189 399 HG SER 47 HG SER 47 -13.419 -5.274 6.823 400 H GLU 48 HN GLU 48 -12.059 -2.026 6.056 401 HA GLU 48 HA GLU 48 -10.079 -0.461 4.835 402 HB2 GLU 48 HB2 GLU 48 -11.139 -0.402 7.691 403 HB3 GLU 48 HB3 GLU 48 -10.122 0.849 6.986 404 HG2 GLU 48 HG2 GLU 48 -11.815 1.357 5.309 405 HG3 GLU 48 HG3 GLU 48 -12.849 0.051 5.898 406 H VAL 49 HN VAL 49 -9.810 -2.504 7.770 407 HA VAL 49 HA VAL 49 -7.140 -1.802 8.306 408 HB VAL 49 HB VAL 49 -8.686 -4.287 9.067 409 HG11 VAL 49 HG11 VAL 49 -6.030 -3.173 10.055 410 HG12 VAL 49 HG12 VAL 49 -7.021 -4.350 10.975 411 HG13 VAL 49 HG13 VAL 49 -6.389 -4.787 9.380 412 HG21 VAL 49 HG21 VAL 49 -9.044 -3.107 11.214 413 HG22 VAL 49 HG22 VAL 49 -8.170 -1.698 10.601 414 HG23 VAL 49 HG23 VAL 49 -9.717 -2.158 9.885 415 H GLN 50 HN GLN 50 -8.358 -4.451 6.156 416 HA GLN 50 HA GLN 50 -5.866 -5.754 5.691 417 HB2 GLN 50 HB2 GLN 50 -8.162 -5.216 3.756 418 HB3 GLN 50 HB3 GLN 50 -6.903 -6.390 3.525 419 HG2 GLN 50 HG2 GLN 50 -8.675 -6.647 5.961 420 HG3 GLN 50 HG3 GLN 50 -9.311 -7.023 4.362 421 HE21 GLN 50 HE21 GLN 50 -7.956 -8.516 7.011 422 HE22 GLN 50 HE22 GLN 50 -7.344 -9.921 6.182 423 H VAL 51 HN VAL 51 -7.527 -3.104 3.917 424 HA VAL 51 HA VAL 51 -5.431 -2.495 2.125 425 HB VAL 51 HB VAL 51 -7.673 -0.743 3.233 426 HG11 VAL 51 HG11 VAL 51 -5.921 0.561 2.048 427 HG12 VAL 51 HG12 VAL 51 -6.127 -0.488 0.628 428 HG13 VAL 51 HG13 VAL 51 -7.464 0.546 1.179 429 HG21 VAL 51 HG21 VAL 51 -7.578 -2.574 0.787 430 HG22 VAL 51 HG22 VAL 51 -8.623 -2.770 2.210 431 HG23 VAL 51 HG23 VAL 51 -8.859 -1.405 1.126 432 H LYS 52 HN LYS 52 -6.111 -1.279 5.421 433 HA LYS 52 HA LYS 52 -4.117 0.691 5.554 434 HB2 LYS 52 HB2 LYS 52 -5.923 0.357 7.217 435 HB3 LYS 52 HB3 LYS 52 -5.092 -1.072 7.830 436 HG2 LYS 52 HG2 LYS 52 -3.288 0.140 8.670 437 HG3 LYS 52 HG3 LYS 52 -3.703 1.604 7.732 438 HD2 LYS 52 HD2 LYS 52 -4.413 2.161 9.900 439 HD3 LYS 52 HD3 LYS 52 -5.896 1.639 9.106 440 HE2 LYS 52 HE2 LYS 52 -6.063 0.468 11.093 441 HE3 LYS 52 HE3 LYS 52 -5.236 -0.746 10.117 442 HZ1 LYS 52 HZ1 LYS 52 -4.247 -0.428 12.285 443 HZ2 LYS 52 HZ2 LYS 52 -3.918 1.147 11.983 444 HZ3 LYS 52 HZ3 LYS 52 -3.149 0.009 11.108 445 H ILE 53 HN ILE 53 -3.821 -2.816 6.227 446 HA ILE 53 HA ILE 53 -1.083 -2.641 7.050 447 HB ILE 53 HB ILE 53 -2.699 -4.982 5.979 448 HG12 ILE 53 HG12 ILE 53 -1.861 -4.421 8.862 449 HG13 ILE 53 HG13 ILE 53 -3.370 -3.792 8.209 450 HG21 ILE 53 HG21 ILE 53 0.020 -4.996 7.383 451 HG22 ILE 53 HG22 ILE 53 -0.952 -6.440 7.039 452 HG23 ILE 53 HG23 ILE 53 -0.301 -5.509 5.715 453 HD11 ILE 53 HD11 ILE 53 -3.887 -5.792 9.336 454 HD12 ILE 53 HD12 ILE 53 -4.074 -6.096 7.595 455 HD13 ILE 53 HD13 ILE 53 -2.624 -6.695 8.458 456 H TRP 54 HN TRP 54 -2.637 -2.929 3.825 457 HA TRP 54 HA TRP 54 -0.133 -3.521 2.535 458 HB2 TRP 54 HB2 TRP 54 -2.545 -3.873 1.651 459 HB3 TRP 54 HB3 TRP 54 -2.467 -2.188 1.150 460 HD1 TRP 54 HD1 TRP 54 -1.525 -5.616 0.168 461 HE1 TRP 54 HE1 TRP 54 -0.277 -5.625 -2.068 462 HE3 TRP 54 HE3 TRP 54 -0.588 -0.584 -0.291 463 HZ2 TRP 54 HZ2 TRP 54 0.912 -3.697 -3.868 464 HZ3 TRP 54 HZ3 TRP 54 0.574 0.280 -2.274 465 HH2 TRP 54 HH2 TRP 54 1.352 -1.252 -4.053 466 H PHE 55 HN PHE 55 -2.010 -0.474 2.807 467 HA PHE 55 HA PHE 55 -0.131 1.149 1.437 468 HB2 PHE 55 HB2 PHE 55 -2.301 1.667 3.435 469 HB3 PHE 55 HB3 PHE 55 -1.238 2.989 3.020 470 HD1 PHE 55 HD2 PHE 55 -3.371 0.375 1.246 471 HD2 PHE 55 HD1 PHE 55 -1.821 4.420 1.254 472 HE1 PHE 55 HE2 PHE 55 -4.918 1.015 -0.585 473 HE2 PHE 55 HE1 PHE 55 -3.319 4.959 -0.651 474 HZ PHE 55 HZ PHE 55 -4.921 3.254 -1.505 475 H GLN 56 HN GLN 56 -0.108 0.146 4.896 476 HA GLN 56 HA GLN 56 2.135 1.902 5.535 477 HB2 GLN 56 HB2 GLN 56 2.478 0.565 7.485 478 HB3 GLN 56 HB3 GLN 56 0.729 0.967 7.365 479 HG2 GLN 56 HG2 GLN 56 0.319 -1.240 6.482 480 HG3 GLN 56 HG3 GLN 56 2.029 -1.662 6.662 481 HE21 GLN 56 HE21 GLN 56 -0.506 -0.300 8.944 482 HE22 GLN 56 HE22 GLN 56 0.159 -1.346 10.179 483 H ASN 57 HN ASN 57 1.880 -1.522 4.439 484 HA ASN 57 HA ASN 57 4.618 -2.032 4.943 485 HB2 ASN 57 HB2 ASN 57 2.336 -3.494 3.587 486 HB3 ASN 57 HB3 ASN 57 3.946 -3.907 3.053 487 HD21 ASN 57 HD21 ASN 57 1.864 -3.840 5.991 488 HD22 ASN 57 HD22 ASN 57 2.980 -4.780 6.951 489 H GLU 58 HN GLU 58 2.854 -0.847 2.219 490 HA GLU 58 HA GLU 58 5.076 -1.029 0.339 491 HB2 GLU 58 HB2 GLU 58 2.581 -0.972 -0.220 492 HB3 GLU 58 HB3 GLU 58 2.634 0.755 0.077 493 HG2 GLU 58 HG2 GLU 58 2.933 0.496 -2.279 494 HG3 GLU 58 HG3 GLU 58 4.509 0.918 -1.634 495 H ARG 59 HN ARG 59 3.531 1.677 2.236 496 HA ARG 59 HA ARG 59 5.427 3.606 1.420 497 HB2 ARG 59 HB2 ARG 59 3.306 4.029 2.759 498 HB3 ARG 59 HB3 ARG 59 4.226 3.588 4.203 499 HG2 ARG 59 HG2 ARG 59 5.931 5.376 3.516 500 HG3 ARG 59 HG3 ARG 59 4.811 5.869 2.245 501 HD2 ARG 59 HD2 ARG 59 3.166 6.558 3.886 502 HD3 ARG 59 HD3 ARG 59 4.090 5.774 5.191 503 HE ARG 59 HE ARG 59 5.602 7.799 3.768 504 HH11 ARG 59 HH11 ARG 59 3.323 7.325 6.483 505 HH12 ARG 59 HH12 ARG 59 3.954 8.711 7.345 506 HH21 ARG 59 HH21 ARG 59 6.347 9.647 4.992 507 HH22 ARG 59 HH22 ARG 59 5.531 10.062 6.459 508 H ALA 60 HN ALA 60 5.660 1.169 3.909 509 HA ALA 60 HA ALA 60 8.086 2.218 5.097 510 HB1 ALA 60 HB1 ALA 60 6.649 0.735 6.376 511 HB2 ALA 60 HB2 ALA 60 6.933 -0.597 5.217 512 HB3 ALA 60 HB3 ALA 60 8.276 0.038 6.202 513 H LYS 61 HN LYS 61 7.515 -0.372 2.611 514 HA LYS 61 HA LYS 61 10.337 -0.905 2.338 515 HB2 LYS 61 HB2 LYS 61 9.817 -2.402 0.748 516 HB3 LYS 61 HB3 LYS 61 8.225 -2.279 1.479 517 HG2 LYS 61 HG2 LYS 61 7.604 -0.652 -0.383 518 HG3 LYS 61 HG3 LYS 61 9.186 -0.984 -1.098 519 HD2 LYS 61 HD2 LYS 61 8.430 -3.487 -1.049 520 HD3 LYS 61 HD3 LYS 61 6.816 -2.822 -0.747 521 HE2 LYS 61 HE2 LYS 61 7.390 -1.274 -2.813 522 HE3 LYS 61 HE3 LYS 61 8.646 -2.477 -3.150 523 HZ1 LYS 61 HZ1 LYS 61 6.738 -3.020 -4.374 524 HZ2 LYS 61 HZ2 LYS 61 5.733 -2.788 -3.098 525 HZ3 LYS 61 HZ3 LYS 61 6.720 -4.124 -3.130 526 H TRP 62 HN TRP 62 8.067 1.269 0.669 527 HA TRP 62 HA TRP 62 9.888 2.252 -1.225 528 HB2 TRP 62 HB2 TRP 62 7.257 2.417 -0.979 529 HB3 TRP 62 HB3 TRP 62 7.629 3.956 -0.203 530 HD1 TRP 62 HD1 TRP 62 7.229 2.238 -3.488 531 HE1 TRP 62 HE1 TRP 62 7.786 3.779 -5.446 532 HE3 TRP 62 HE3 TRP 62 9.325 6.099 -0.853 533 HZ2 TRP 62 HZ2 TRP 62 8.887 6.431 -5.822 534 HZ3 TRP 62 HZ3 TRP 62 10.189 8.089 -2.061 535 HH2 TRP 62 HH2 TRP 62 9.907 8.294 -4.534 536 H LYS 63 HN LYS 63 9.205 3.354 2.128 537 HA LYS 63 HA LYS 63 10.754 5.721 1.952 538 HB2 LYS 63 HB2 LYS 63 9.796 3.958 4.222 539 HB3 LYS 63 HB3 LYS 63 11.063 5.124 4.553 540 HG2 LYS 63 HG2 LYS 63 9.128 6.586 3.006 541 HG3 LYS 63 HG3 LYS 63 8.201 5.588 4.089 542 HD2 LYS 63 HD2 LYS 63 8.598 7.664 5.230 543 HD3 LYS 63 HD3 LYS 63 9.657 6.465 5.994 544 HE2 LYS 63 HE2 LYS 63 11.466 7.257 4.293 545 HE3 LYS 63 HE3 LYS 63 10.391 8.612 3.945 546 HZ1 LYS 63 HZ1 LYS 63 10.607 9.286 6.263 547 HZ2 LYS 63 HZ2 LYS 63 12.076 9.147 5.547 548 HZ3 LYS 63 HZ3 LYS 63 11.574 7.967 6.578 549 H ARG 64 HN ARG 64 11.978 2.410 2.064 550 HA ARG 64 HA ARG 64 14.663 3.400 2.717 551 HB2 ARG 64 HB2 ARG 64 13.557 0.706 1.832 552 HB3 ARG 64 HB3 ARG 64 15.280 1.057 1.693 553 HG2 ARG 64 HG2 ARG 64 15.229 1.830 4.085 554 HG3 ARG 64 HG3 ARG 64 13.620 1.116 4.240 555 HD2 ARG 64 HD2 ARG 64 14.486 -1.097 3.783 556 HD3 ARG 64 HD3 ARG 64 16.033 -0.433 3.233 557 HE ARG 64 HE ARG 64 15.533 0.307 5.949 558 HH11 ARG 64 HH11 ARG 64 16.663 -2.394 3.891 559 HH12 ARG 64 HH12 ARG 64 17.622 -3.098 5.152 560 HH21 ARG 64 HH21 ARG 64 17.057 -0.558 7.518 561 HH22 ARG 64 HH22 ARG 64 17.850 -2.051 7.209 562 H ILE 65 HN ILE 65 12.770 3.213 -0.088 563 HA ILE 65 HA ILE 65 14.953 3.312 -2.021 564 HB ILE 65 HB ILE 65 12.077 4.121 -2.576 565 HG12 ILE 65 HG12 ILE 65 13.275 1.314 -2.713 566 HG13 ILE 65 HG13 ILE 65 12.123 1.858 -1.494 567 HG21 ILE 65 HG21 ILE 65 12.689 3.338 -4.892 568 HG22 ILE 65 HG22 ILE 65 13.667 4.684 -4.356 569 HG23 ILE 65 HG23 ILE 65 14.351 3.059 -4.309 570 HD11 ILE 65 HD11 ILE 65 10.814 0.682 -3.028 571 HD12 ILE 65 HD12 ILE 65 10.512 2.399 -3.413 572 HD13 ILE 65 HD13 ILE 65 11.609 1.426 -4.430 573 H LYS 66 HN LYS 66 13.411 5.666 0.037 574 HA LYS 66 HA LYS 66 14.113 8.014 -1.453 575 HB2 LYS 66 HB2 LYS 66 13.916 7.577 1.550 576 HB3 LYS 66 HB3 LYS 66 14.277 9.120 0.805 577 HG2 LYS 66 HG2 LYS 66 12.051 8.559 -0.609 578 HG3 LYS 66 HG3 LYS 66 11.706 7.562 0.796 579 HD2 LYS 66 HD2 LYS 66 10.703 9.678 1.254 580 HD3 LYS 66 HD3 LYS 66 12.202 9.673 2.198 581 HE2 LYS 66 HE2 LYS 66 13.273 10.794 0.120 582 HE3 LYS 66 HE3 LYS 66 11.634 11.060 -0.460 583 HZ1 LYS 66 HZ1 LYS 66 12.507 12.959 0.645 584 HZ2 LYS 66 HZ2 LYS 66 12.820 12.124 2.028 585 HZ3 LYS 66 HZ3 LYS 66 11.257 12.436 1.522 586 H ALA 67 HN ALA 67 16.212 5.606 -0.375 587 HA ALA 67 HA ALA 67 18.384 5.398 0.039 588 HB1 ALA 67 HB1 ALA 67 19.875 6.432 -1.624 589 HB2 ALA 67 HB2 ALA 67 18.450 5.636 -2.358 590 HB3 ALA 67 HB3 ALA 67 18.534 7.410 -2.212 591 H GLY 68 HN GLY 68 18.269 6.309 2.229 592 HA2 GLY 68 HA1 GLY 68 19.608 8.976 2.450 593 HA3 GLY 68 HA2 GLY 68 18.421 8.345 3.598 594 H ASN 69 HN ASN 69 21.646 7.751 2.190 595 HA ASN 69 HA ASN 69 22.701 7.107 4.831 596 HB2 ASN 69 HB2 ASN 69 21.961 4.873 3.836 597 HB3 ASN 69 HB3 ASN 69 23.290 5.083 2.682 598 HD21 ASN 69 HD21 ASN 69 25.442 4.876 3.520 599 HD22 ASN 69 HD22 ASN 69 25.814 4.456 5.179 600 H VAL 70 HN VAL 70 22.859 9.288 2.895 601 HA VAL 70 HA VAL 70 24.268 10.697 2.009 602 HB VAL 70 HB VAL 70 26.385 11.092 3.010 603 HG11 VAL 70 HG11 VAL 70 24.538 12.051 4.142 604 HG12 VAL 70 HG12 VAL 70 24.197 10.539 5.033 605 HG13 VAL 70 HG13 VAL 70 25.659 11.484 5.356 606 HG21 VAL 70 HG21 VAL 70 27.171 8.755 3.453 607 HG22 VAL 70 HG22 VAL 70 27.368 9.845 4.821 608 HG23 VAL 70 HG23 VAL 70 26.046 8.675 4.818 609 H SER 71 HN SER 71 23.870 8.284 0.573 610 HA SER 71 HA SER 71 26.100 8.514 -1.303 611 HB2 SER 71 HB2 SER 71 26.506 6.512 0.162 612 HB3 SER 71 HB3 SER 71 24.924 5.871 -0.296 613 HG SER 71 HG SER 71 26.801 6.556 -2.314 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -4.858 -19.817 19.188 2 HA2 GLY 1 HA1 GLY 1 -5.936 -21.661 17.147 3 HA3 GLY 1 HA2 GLY 1 -5.696 -19.919 16.922 4 H ALA 2 HN ALA 2 -4.320 -20.366 15.098 5 HA ALA 2 HA ALA 2 -1.611 -21.435 15.752 6 HB1 ALA 2 HB1 ALA 2 -1.531 -22.227 13.398 7 HB2 ALA 2 HB2 ALA 2 -2.870 -22.986 14.284 8 HB3 ALA 2 HB3 ALA 2 -3.188 -21.655 13.145 9 HA PRO 3 HA PRO 3 -0.346 -17.414 14.302 10 HB2 PRO 3 HB2 PRO 3 2.258 -17.806 13.597 11 HB3 PRO 3 HB3 PRO 3 1.681 -17.975 15.286 12 HG2 PRO 3 HG2 PRO 3 2.039 -20.183 13.221 13 HG3 PRO 3 HG3 PRO 3 2.736 -20.098 14.871 14 HD2 PRO 3 HD2 PRO 3 0.426 -21.436 14.352 15 HD3 PRO 3 HD3 PRO 3 0.614 -20.494 15.865 16 H GLY 4 HN GLY 4 0.597 -16.280 12.368 17 HA2 GLY 4 HA1 GLY 4 0.011 -17.673 9.787 18 HA3 GLY 4 HA2 GLY 4 -0.624 -16.083 10.178 19 H GLY 5 HN GLY 5 2.343 -15.703 11.525 20 HA2 GLY 5 HA1 GLY 5 3.296 -14.433 9.006 21 HA3 GLY 5 HA2 GLY 5 3.384 -13.767 10.625 22 H LYS 6 HN LYS 6 4.984 -15.761 8.279 23 HA LYS 6 HA LYS 6 7.494 -15.493 9.742 24 HB2 LYS 6 HB2 LYS 6 8.065 -17.822 9.791 25 HB3 LYS 6 HB3 LYS 6 6.625 -17.565 10.744 26 HG2 LYS 6 HG2 LYS 6 5.343 -18.925 9.462 27 HG3 LYS 6 HG3 LYS 6 5.993 -18.324 7.937 28 HD2 LYS 6 HD2 LYS 6 8.075 -19.628 8.293 29 HD3 LYS 6 HD3 LYS 6 7.385 -20.291 9.777 30 HE2 LYS 6 HE2 LYS 6 6.137 -20.619 7.008 31 HE3 LYS 6 HE3 LYS 6 7.275 -21.768 7.716 32 HZ1 LYS 6 HZ1 LYS 6 4.611 -21.095 8.800 33 HZ2 LYS 6 HZ2 LYS 6 5.720 -22.045 9.568 34 HZ3 LYS 6 HZ3 LYS 6 5.086 -22.513 8.122 35 H SER 7 HN SER 7 6.789 -14.235 7.319 36 HA SER 7 HA SER 7 8.643 -15.609 5.460 37 HB2 SER 7 HB2 SER 7 6.121 -14.360 4.355 38 HB3 SER 7 HB3 SER 7 7.269 -15.434 3.560 39 HG SER 7 HG SER 7 5.135 -16.000 5.242 40 H ARG 8 HN ARG 8 9.606 -14.162 3.867 41 HA ARG 8 HA ARG 8 9.451 -11.257 4.593 42 HB2 ARG 8 HB2 ARG 8 11.709 -12.849 3.288 43 HB3 ARG 8 HB3 ARG 8 11.709 -11.108 3.604 44 HG2 ARG 8 HG2 ARG 8 11.501 -11.560 6.051 45 HG3 ARG 8 HG3 ARG 8 11.549 -13.299 5.716 46 HD2 ARG 8 HD2 ARG 8 13.814 -13.017 4.692 47 HD3 ARG 8 HD3 ARG 8 13.772 -11.310 5.152 48 HE ARG 8 HE ARG 8 13.812 -11.853 7.433 49 HH11 ARG 8 HH11 ARG 8 14.184 -14.781 5.466 50 HH12 ARG 8 HH12 ARG 8 14.906 -15.712 6.737 51 HH21 ARG 8 HH21 ARG 8 14.593 -13.179 9.211 52 HH22 ARG 8 HH22 ARG 8 15.034 -14.802 8.891 53 H ARG 9 HN ARG 9 8.711 -9.887 2.961 54 HA ARG 9 HA ARG 9 9.041 -10.547 0.200 55 HB2 ARG 9 HB2 ARG 9 6.907 -11.826 0.999 56 HB3 ARG 9 HB3 ARG 9 6.148 -10.249 1.153 57 HG2 ARG 9 HG2 ARG 9 6.182 -9.879 -1.184 58 HG3 ARG 9 HG3 ARG 9 7.477 -11.046 -1.465 59 HD2 ARG 9 HD2 ARG 9 4.708 -11.848 -0.501 60 HD3 ARG 9 HD3 ARG 9 5.155 -11.753 -2.216 61 HE ARG 9 HE ARG 9 7.137 -13.300 -1.057 62 HH11 ARG 9 HH11 ARG 9 3.584 -13.656 -1.389 63 HH12 ARG 9 HH12 ARG 9 3.659 -15.372 -1.314 64 HH21 ARG 9 HH21 ARG 9 7.181 -15.576 -1.058 65 HH22 ARG 9 HH22 ARG 9 5.756 -16.432 -1.547 66 H ARG 10 HN ARG 10 7.954 -8.602 -1.101 67 HA ARG 10 HA ARG 10 8.119 -6.113 0.536 68 HB2 ARG 10 HB2 ARG 10 9.197 -6.505 -2.292 69 HB3 ARG 10 HB3 ARG 10 9.337 -5.072 -1.259 70 HG2 ARG 10 HG2 ARG 10 10.513 -6.559 0.429 71 HG3 ARG 10 HG3 ARG 10 10.608 -7.804 -0.818 72 HD2 ARG 10 HD2 ARG 10 12.197 -6.670 -2.046 73 HD3 ARG 10 HD3 ARG 10 11.692 -5.084 -1.467 74 HE ARG 10 HE ARG 10 13.025 -7.130 0.253 75 HH11 ARG 10 HH11 ARG 10 12.273 -3.671 -0.345 76 HH12 ARG 10 HH12 ARG 10 13.002 -3.214 1.180 77 HH21 ARG 10 HH21 ARG 10 14.184 -6.356 2.103 78 HH22 ARG 10 HH22 ARG 10 14.060 -4.650 2.467 79 H ARG 11 HN ARG 11 5.940 -7.899 -0.879 80 HA ARG 11 HA ARG 11 4.149 -5.714 -1.317 81 HB2 ARG 11 HB2 ARG 11 5.231 -6.282 -3.595 82 HB3 ARG 11 HB3 ARG 11 4.383 -7.819 -3.524 83 HG2 ARG 11 HG2 ARG 11 2.257 -6.776 -3.745 84 HG3 ARG 11 HG3 ARG 11 2.888 -5.189 -3.275 85 HD2 ARG 11 HD2 ARG 11 3.712 -6.645 -5.822 86 HD3 ARG 11 HD3 ARG 11 2.377 -5.475 -5.751 87 HE ARG 11 HE ARG 11 4.143 -3.880 -4.771 88 HH11 ARG 11 HH11 ARG 11 4.677 -5.997 -7.624 89 HH12 ARG 11 HH12 ARG 11 6.198 -5.264 -7.982 90 HH21 ARG 11 HH21 ARG 11 6.163 -3.012 -5.267 91 HH22 ARG 11 HH22 ARG 11 6.928 -3.365 -6.781 92 H THR 12 HN THR 12 1.879 -7.140 -1.849 93 HA THR 12 HA THR 12 1.857 -9.549 -0.174 94 HB THR 12 HB THR 12 0.059 -7.184 0.140 95 HG1 THR 12 HG1 THR 12 1.062 -7.100 2.214 96 HG21 THR 12 HG21 THR 12 -1.208 -9.215 0.672 97 HG22 THR 12 HG22 THR 12 -0.795 -8.352 2.148 98 HG23 THR 12 HG23 THR 12 0.126 -9.801 1.699 99 H ALA 13 HN ALA 13 -0.392 -10.698 -0.696 100 HA ALA 13 HA ALA 13 -0.464 -10.950 -3.557 101 HB1 ALA 13 HB1 ALA 13 -2.237 -12.177 -1.401 102 HB2 ALA 13 HB2 ALA 13 -2.177 -12.649 -3.109 103 HB3 ALA 13 HB3 ALA 13 -0.748 -12.889 -2.081 104 H PHE 14 HN PHE 14 -1.045 -8.829 -4.273 105 HA PHE 14 HA PHE 14 -3.899 -8.135 -4.006 106 HB2 PHE 14 HB2 PHE 14 -1.328 -6.556 -4.206 107 HB3 PHE 14 HB3 PHE 14 -2.784 -5.864 -4.842 108 HD1 PHE 14 HD1 PHE 14 -1.871 -7.635 -1.595 109 HD2 PHE 14 HD2 PHE 14 -3.927 -4.390 -3.554 110 HE1 PHE 14 HE1 PHE 14 -2.321 -6.614 0.587 111 HE2 PHE 14 HE2 PHE 14 -4.463 -3.418 -1.350 112 HZ PHE 14 HZ PHE 14 -3.642 -4.510 0.719 113 H THR 15 HN THR 15 -4.986 -8.078 -5.999 114 HA THR 15 HA THR 15 -3.554 -9.155 -8.354 115 HB THR 15 HB THR 15 -5.830 -9.295 -9.329 116 HG1 THR 15 HG1 THR 15 -7.595 -9.145 -8.122 117 HG21 THR 15 HG21 THR 15 -5.518 -10.783 -6.646 118 HG22 THR 15 HG22 THR 15 -4.714 -11.284 -8.157 119 HG23 THR 15 HG23 THR 15 -6.481 -11.352 -8.008 120 H SER 16 HN SER 16 -3.987 -8.048 -10.395 121 HA SER 16 HA SER 16 -2.993 -5.489 -10.237 122 HB2 SER 16 HB2 SER 16 -4.663 -6.511 -12.498 123 HB3 SER 16 HB3 SER 16 -3.222 -5.407 -12.519 124 HG SER 16 HG SER 16 -3.383 -8.216 -12.066 125 H GLU 17 HN GLU 17 -6.416 -6.388 -10.390 126 HA GLU 17 HA GLU 17 -7.701 -3.916 -10.872 127 HB2 GLU 17 HB2 GLU 17 -8.386 -6.148 -8.904 128 HB3 GLU 17 HB3 GLU 17 -9.489 -4.919 -9.495 129 HG2 GLU 17 HG2 GLU 17 -9.575 -5.908 -11.665 130 HG3 GLU 17 HG3 GLU 17 -8.238 -6.997 -11.284 131 H GLN 18 HN GLN 18 -6.467 -5.432 -7.915 132 HA GLN 18 HA GLN 18 -7.516 -3.443 -6.087 133 HB2 GLN 18 HB2 GLN 18 -5.413 -5.601 -5.592 134 HB3 GLN 18 HB3 GLN 18 -6.424 -4.826 -4.393 135 HG2 GLN 18 HG2 GLN 18 -8.459 -5.903 -5.496 136 HG3 GLN 18 HG3 GLN 18 -7.370 -6.711 -6.586 137 HE21 GLN 18 HE21 GLN 18 -9.132 -7.324 -3.802 138 HE22 GLN 18 HE22 GLN 18 -8.097 -8.553 -3.145 139 H LEU 19 HN LEU 19 -4.406 -4.179 -7.739 140 HA LEU 19 HA LEU 19 -2.918 -2.153 -6.328 141 HB2 LEU 19 HB2 LEU 19 -2.449 -3.494 -9.017 142 HB3 LEU 19 HB3 LEU 19 -1.405 -2.279 -8.306 143 HG LEU 19 HG LEU 19 -1.183 -3.925 -6.236 144 HD11 LEU 19 HD11 LEU 19 -2.074 -5.895 -8.305 145 HD12 LEU 19 HD12 LEU 19 -2.914 -5.394 -6.815 146 HD13 LEU 19 HD13 LEU 19 -1.340 -6.196 -6.717 147 HD21 LEU 19 HD21 LEU 19 0.591 -3.508 -8.100 148 HD22 LEU 19 HD22 LEU 19 -0.183 -4.839 -8.981 149 HD23 LEU 19 HD23 LEU 19 0.606 -5.160 -7.429 150 H LEU 20 HN LEU 20 -5.402 -1.961 -8.798 151 HA LEU 20 HA LEU 20 -4.447 0.359 -10.171 152 HB2 LEU 20 HB2 LEU 20 -6.460 -1.421 -10.632 153 HB3 LEU 20 HB3 LEU 20 -7.410 -0.174 -9.894 154 HG LEU 20 HG LEU 20 -7.648 0.378 -12.061 155 HD11 LEU 20 HD11 LEU 20 -6.675 2.390 -11.023 156 HD12 LEU 20 HD12 LEU 20 -6.378 2.285 -12.761 157 HD13 LEU 20 HD13 LEU 20 -5.068 1.926 -11.624 158 HD21 LEU 20 HD21 LEU 20 -4.784 -0.482 -12.618 159 HD22 LEU 20 HD22 LEU 20 -5.984 0.040 -13.831 160 HD23 LEU 20 HD23 LEU 20 -6.267 -1.436 -12.884 161 H GLU 21 HN GLU 21 -6.945 -0.140 -7.709 162 HA GLU 21 HA GLU 21 -7.682 2.553 -7.319 163 HB2 GLU 21 HB2 GLU 21 -7.849 0.252 -5.328 164 HB3 GLU 21 HB3 GLU 21 -8.842 1.701 -5.313 165 HG2 GLU 21 HG2 GLU 21 -8.841 -0.508 -7.409 166 HG3 GLU 21 HG3 GLU 21 -10.096 -0.186 -6.200 167 H LEU 22 HN LEU 22 -5.350 0.521 -5.697 168 HA LEU 22 HA LEU 22 -4.453 2.230 -3.610 169 HB2 LEU 22 HB2 LEU 22 -3.339 -0.050 -5.249 170 HB3 LEU 22 HB3 LEU 22 -2.210 0.888 -4.296 171 HG LEU 22 HG LEU 22 -3.035 0.209 -2.260 172 HD11 LEU 22 HD11 LEU 22 -5.470 0.574 -2.568 173 HD12 LEU 22 HD12 LEU 22 -5.149 -1.022 -1.867 174 HD13 LEU 22 HD13 LEU 22 -5.564 -0.852 -3.581 175 HD21 LEU 22 HD21 LEU 22 -2.760 -2.114 -2.362 176 HD22 LEU 22 HD22 LEU 22 -2.012 -1.562 -3.871 177 HD23 LEU 22 HD23 LEU 22 -3.627 -2.242 -3.922 178 H ARG 23 HN ARG 23 -3.472 2.072 -7.110 179 HA ARG 23 HA ARG 23 -1.147 3.750 -6.499 180 HB2 ARG 23 HB2 ARG 23 -2.269 2.517 -9.048 181 HB3 ARG 23 HB3 ARG 23 -0.874 3.606 -9.036 182 HG2 ARG 23 HG2 ARG 23 0.429 2.089 -7.650 183 HG3 ARG 23 HG3 ARG 23 -0.971 1.096 -7.312 184 HD2 ARG 23 HD2 ARG 23 0.355 -0.056 -8.933 185 HD3 ARG 23 HD3 ARG 23 -1.116 0.495 -9.733 186 HE ARG 23 HE ARG 23 0.864 2.506 -10.077 187 HH11 ARG 23 HH11 ARG 23 -0.005 -0.738 -11.326 188 HH12 ARG 23 HH12 ARG 23 1.010 -0.561 -12.720 189 HH21 ARG 23 HH21 ARG 23 1.930 2.722 -12.081 190 HH22 ARG 23 HH22 ARG 23 2.044 1.344 -13.148 191 H LYS 24 HN LYS 24 -4.434 3.980 -7.795 192 HA LYS 24 HA LYS 24 -4.328 6.589 -8.828 193 HB2 LYS 24 HB2 LYS 24 -6.565 5.139 -7.358 194 HB3 LYS 24 HB3 LYS 24 -6.805 6.704 -8.099 195 HG2 LYS 24 HG2 LYS 24 -5.779 4.403 -9.793 196 HG3 LYS 24 HG3 LYS 24 -7.482 4.480 -9.321 197 HD2 LYS 24 HD2 LYS 24 -7.600 6.803 -10.291 198 HD3 LYS 24 HD3 LYS 24 -5.945 6.562 -10.909 199 HE2 LYS 24 HE2 LYS 24 -6.727 4.567 -12.179 200 HE3 LYS 24 HE3 LYS 24 -8.362 4.798 -11.530 201 HZ1 LYS 24 HZ1 LYS 24 -8.409 6.965 -12.632 202 HZ2 LYS 24 HZ2 LYS 24 -8.241 5.754 -13.704 203 HZ3 LYS 24 HZ3 LYS 24 -6.941 6.698 -13.313 204 H GLU 25 HN GLU 25 -5.228 5.510 -5.524 205 HA GLU 25 HA GLU 25 -5.319 8.198 -4.502 206 HB2 GLU 25 HB2 GLU 25 -5.458 5.425 -3.292 207 HB3 GLU 25 HB3 GLU 25 -5.456 6.847 -2.265 208 HG2 GLU 25 HG2 GLU 25 -7.446 6.554 -4.554 209 HG3 GLU 25 HG3 GLU 25 -7.716 5.832 -2.976 210 H PHE 26 HN PHE 26 -2.736 5.804 -4.700 211 HA PHE 26 HA PHE 26 -0.993 6.788 -2.715 212 HB2 PHE 26 HB2 PHE 26 -0.661 4.681 -3.959 213 HB3 PHE 26 HB3 PHE 26 -0.344 5.583 -5.439 214 HD1 PHE 26 HD2 PHE 26 0.920 4.686 -2.085 215 HD2 PHE 26 HD1 PHE 26 1.830 6.616 -5.835 216 HE1 PHE 26 HE2 PHE 26 3.306 4.735 -1.474 217 HE2 PHE 26 HE1 PHE 26 4.234 6.665 -5.227 218 HZ PHE 26 HZ PHE 26 4.984 5.712 -3.046 219 H HIS 27 HN HIS 27 -1.463 7.889 -6.097 220 HA HIS 27 HA HIS 27 0.600 9.945 -5.854 221 HB2 HIS 27 HB2 HIS 27 -1.489 9.377 -7.981 222 HB3 HIS 27 HB3 HIS 27 -0.278 10.656 -8.094 223 HD1 HIS 27 HD1 HIS 27 2.439 9.549 -7.659 224 HD2 HIS 27 HD2 HIS 27 -0.734 7.190 -9.165 225 HE1 HIS 27 HE1 HIS 27 3.493 7.456 -8.634 226 H CYS 28 HN CYS 28 -2.337 9.739 -4.368 227 HA CYS 28 HA CYS 28 -2.882 12.662 -4.539 228 HB2 CYS 28 HB2 CYS 28 -4.604 10.237 -3.992 229 HB3 CYS 28 HB3 CYS 28 -4.993 11.784 -3.239 230 HG CYS 28 HG CYS 28 -5.132 13.211 -5.332 231 H LYS 29 HN LYS 29 -3.004 10.029 -2.028 232 HA LYS 29 HA LYS 29 -2.809 12.307 -0.124 233 HB2 LYS 29 HB2 LYS 29 -4.264 11.063 1.363 234 HB3 LYS 29 HB3 LYS 29 -4.959 11.364 -0.214 235 HG2 LYS 29 HG2 LYS 29 -3.885 8.826 -0.555 236 HG3 LYS 29 HG3 LYS 29 -4.380 8.804 1.134 237 HD2 LYS 29 HD2 LYS 29 -6.121 9.646 -1.225 238 HD3 LYS 29 HD3 LYS 29 -6.144 8.034 -0.508 239 HE2 LYS 29 HE2 LYS 29 -7.159 8.756 1.471 240 HE3 LYS 29 HE3 LYS 29 -6.783 10.470 1.187 241 HZ1 LYS 29 HZ1 LYS 29 -8.435 10.614 -0.410 242 HZ2 LYS 29 HZ2 LYS 29 -9.133 9.674 0.739 243 HZ3 LYS 29 HZ3 LYS 29 -8.560 8.998 -0.646 244 H LYS 30 HN LYS 30 -1.353 12.487 1.295 245 HA LYS 30 HA LYS 30 0.949 10.938 1.446 246 HB2 LYS 30 HB2 LYS 30 1.462 12.165 3.546 247 HB3 LYS 30 HB3 LYS 30 1.044 13.190 2.192 248 HG2 LYS 30 HG2 LYS 30 -1.144 12.436 4.120 249 HG3 LYS 30 HG3 LYS 30 0.080 13.568 4.669 250 HD2 LYS 30 HD2 LYS 30 -1.530 14.039 2.125 251 HD3 LYS 30 HD3 LYS 30 -2.030 14.607 3.726 252 HE2 LYS 30 HE2 LYS 30 -0.078 15.967 3.981 253 HE3 LYS 30 HE3 LYS 30 0.712 15.244 2.577 254 HZ1 LYS 30 HZ1 LYS 30 -0.203 17.423 2.145 255 HZ2 LYS 30 HZ2 LYS 30 -1.711 16.930 2.474 256 HZ3 LYS 30 HZ3 LYS 30 -0.932 16.300 1.166 257 H TYR 31 HN TYR 31 -2.058 10.383 3.254 258 HA TYR 31 HA TYR 31 -1.154 7.777 4.023 259 HB2 TYR 31 HB2 TYR 31 -1.538 8.150 6.495 260 HB3 TYR 31 HB3 TYR 31 -0.072 8.839 5.854 261 HD1 TYR 31 HD1 TYR 31 -3.603 9.765 6.826 262 HD2 TYR 31 HD2 TYR 31 0.462 11.110 6.217 263 HE1 TYR 31 HE1 TYR 31 -4.161 11.925 7.891 264 HE2 TYR 31 HE2 TYR 31 -0.076 13.237 7.342 265 HH TYR 31 HH TYR 31 -3.179 14.383 8.040 266 H LEU 32 HN LEU 32 -2.958 6.666 5.270 267 HA LEU 32 HA LEU 32 -5.639 7.677 4.420 268 HB2 LEU 32 HB2 LEU 32 -4.611 4.884 5.005 269 HB3 LEU 32 HB3 LEU 32 -6.248 5.275 4.478 270 HG LEU 32 HG LEU 32 -3.729 5.705 2.817 271 HD11 LEU 32 HD11 LEU 32 -5.904 3.576 2.593 272 HD12 LEU 32 HD12 LEU 32 -4.231 3.310 3.158 273 HD13 LEU 32 HD13 LEU 32 -4.541 3.807 1.496 274 HD21 LEU 32 HD21 LEU 32 -6.666 5.885 2.015 275 HD22 LEU 32 HD22 LEU 32 -5.271 6.098 0.949 276 HD23 LEU 32 HD23 LEU 32 -5.583 7.278 2.227 277 H SER 33 HN SER 33 -7.063 8.214 5.990 278 HA SER 33 HA SER 33 -6.520 7.641 8.802 279 HB2 SER 33 HB2 SER 33 -8.643 9.338 7.440 280 HB3 SER 33 HB3 SER 33 -8.315 9.275 9.181 281 HG SER 33 HG SER 33 -6.126 9.924 8.596 282 H LEU 34 HN LEU 34 -9.138 7.566 9.873 283 HA LEU 34 HA LEU 34 -9.382 4.712 9.885 284 HB2 LEU 34 HB2 LEU 34 -10.699 7.038 11.282 285 HB3 LEU 34 HB3 LEU 34 -11.355 5.438 11.465 286 HG LEU 34 HG LEU 34 -9.859 6.173 13.288 287 HD11 LEU 34 HD11 LEU 34 -10.399 3.800 12.981 288 HD12 LEU 34 HD12 LEU 34 -8.762 3.997 13.601 289 HD13 LEU 34 HD13 LEU 34 -9.011 3.602 11.891 290 HD21 LEU 34 HD21 LEU 34 -7.551 5.622 11.391 291 HD22 LEU 34 HD22 LEU 34 -7.460 6.045 13.110 292 HD23 LEU 34 HD23 LEU 34 -8.067 7.234 11.959 293 H THR 35 HN THR 35 -11.053 7.135 8.014 294 HA THR 35 HA THR 35 -13.137 5.137 7.274 295 HB THR 35 HB THR 35 -12.813 8.060 6.518 296 HG1 THR 35 HG1 THR 35 -13.810 8.470 8.244 297 HG21 THR 35 HG21 THR 35 -14.098 6.807 4.846 298 HG22 THR 35 HG22 THR 35 -15.219 7.790 5.792 299 HG23 THR 35 HG23 THR 35 -15.089 6.039 6.105 300 H GLU 36 HN GLU 36 -10.702 7.311 5.728 301 HA GLU 36 HA GLU 36 -10.646 6.377 3.245 302 HB2 GLU 36 HB2 GLU 36 -7.984 6.805 4.611 303 HB3 GLU 36 HB3 GLU 36 -8.440 7.198 2.973 304 HG2 GLU 36 HG2 GLU 36 -9.188 8.598 5.546 305 HG3 GLU 36 HG3 GLU 36 -8.207 9.224 4.236 306 H ARG 37 HN ARG 37 -8.516 4.938 5.749 307 HA ARG 37 HA ARG 37 -7.498 2.889 4.048 308 HB2 ARG 37 HB2 ARG 37 -6.784 3.949 6.474 309 HB3 ARG 37 HB3 ARG 37 -7.598 2.496 7.020 310 HG2 ARG 37 HG2 ARG 37 -5.902 1.248 5.421 311 HG3 ARG 37 HG3 ARG 37 -5.099 2.777 5.288 312 HD2 ARG 37 HD2 ARG 37 -4.017 1.542 7.069 313 HD3 ARG 37 HD3 ARG 37 -4.884 2.918 7.782 314 HE ARG 37 HE ARG 37 -6.467 0.493 7.653 315 HH11 ARG 37 HH11 ARG 37 -4.016 2.079 9.696 316 HH12 ARG 37 HH12 ARG 37 -4.789 1.615 11.186 317 HH21 ARG 37 HH21 ARG 37 -7.471 -0.104 9.643 318 HH22 ARG 37 HH22 ARG 37 -6.650 0.092 11.111 319 H SER 38 HN SER 38 -10.381 3.087 6.019 320 HA SER 38 HA SER 38 -10.952 0.264 6.228 321 HB2 SER 38 HB2 SER 38 -11.754 2.072 7.775 322 HB3 SER 38 HB3 SER 38 -12.758 2.712 6.475 323 HG SER 38 HG SER 38 -13.025 0.439 8.054 324 H GLN 39 HN GLN 39 -12.015 2.959 4.066 325 HA GLN 39 HA GLN 39 -13.810 1.465 2.451 326 HB2 GLN 39 HB2 GLN 39 -12.114 3.923 1.879 327 HB3 GLN 39 HB3 GLN 39 -13.386 3.346 0.808 328 HG2 GLN 39 HG2 GLN 39 -15.108 3.742 2.423 329 HG3 GLN 39 HG3 GLN 39 -13.964 4.094 3.702 330 HE21 GLN 39 HE21 GLN 39 -12.229 5.784 1.737 331 HE22 GLN 39 HE22 GLN 39 -13.071 7.283 1.698 332 H ILE 40 HN ILE 40 -10.384 2.420 1.752 333 HA ILE 40 HA ILE 40 -10.274 0.943 -0.648 334 HB ILE 40 HB ILE 40 -7.948 1.813 1.113 335 HG12 ILE 40 HG12 ILE 40 -9.103 3.827 0.822 336 HG13 ILE 40 HG13 ILE 40 -7.900 3.861 -0.432 337 HG21 ILE 40 HG21 ILE 40 -8.064 1.295 -1.884 338 HG22 ILE 40 HG22 ILE 40 -6.712 2.089 -1.055 339 HG23 ILE 40 HG23 ILE 40 -7.116 0.402 -0.678 340 HD11 ILE 40 HD11 ILE 40 -9.674 3.045 -2.048 341 HD12 ILE 40 HD12 ILE 40 -10.843 3.188 -0.712 342 HD13 ILE 40 HD13 ILE 40 -10.011 4.635 -1.316 343 H ALA 41 HN ALA 41 -10.354 -0.277 2.371 344 HA ALA 41 HA ALA 41 -8.857 -2.818 1.768 345 HB1 ALA 41 HB1 ALA 41 -8.498 -1.934 4.035 346 HB2 ALA 41 HB2 ALA 41 -10.246 -1.965 4.353 347 HB3 ALA 41 HB3 ALA 41 -9.361 -3.484 4.082 348 H HIS 42 HN HIS 42 -12.119 -1.762 2.834 349 HA HIS 42 HA HIS 42 -13.180 -4.393 2.404 350 HB2 HIS 42 HB2 HIS 42 -14.031 -2.762 4.039 351 HB3 HIS 42 HB3 HIS 42 -14.556 -1.691 2.733 352 HD1 HIS 42 HD1 HIS 42 -15.484 -5.067 4.378 353 HD2 HIS 42 HD2 HIS 42 -16.841 -2.237 1.571 354 HE1 HIS 42 HE1 HIS 42 -17.905 -5.657 3.861 355 H ALA 43 HN ALA 43 -12.965 -1.488 0.359 356 HA ALA 43 HA ALA 43 -14.685 -2.304 -1.755 357 HB1 ALA 43 HB1 ALA 43 -13.720 -0.025 -1.466 358 HB2 ALA 43 HB2 ALA 43 -12.111 -0.659 -1.865 359 HB3 ALA 43 HB3 ALA 43 -13.402 -0.677 -3.085 360 H LEU 44 HN LEU 44 -11.624 -3.575 -0.775 361 HA LEU 44 HA LEU 44 -11.275 -5.041 -3.356 362 HB2 LEU 44 HB2 LEU 44 -9.147 -4.178 -1.368 363 HB3 LEU 44 HB3 LEU 44 -8.884 -4.992 -2.915 364 HG LEU 44 HG LEU 44 -9.987 -2.165 -2.565 365 HD11 LEU 44 HD11 LEU 44 -7.888 -1.366 -3.344 366 HD12 LEU 44 HD12 LEU 44 -7.274 -2.997 -3.640 367 HD13 LEU 44 HD13 LEU 44 -7.568 -2.444 -1.985 368 HD21 LEU 44 HD21 LEU 44 -9.409 -3.821 -5.054 369 HD22 LEU 44 HD22 LEU 44 -9.484 -2.042 -5.067 370 HD23 LEU 44 HD23 LEU 44 -10.903 -2.977 -4.611 371 H LYS 45 HN LYS 45 -12.649 -5.481 -0.558 372 HA LYS 45 HA LYS 45 -13.046 -6.974 0.958 373 HB2 LYS 45 HB2 LYS 45 -13.255 -8.222 -1.407 374 HB3 LYS 45 HB3 LYS 45 -12.068 -9.285 -0.660 375 HG2 LYS 45 HG2 LYS 45 -13.588 -9.598 1.289 376 HG3 LYS 45 HG3 LYS 45 -14.750 -8.472 0.565 377 HD2 LYS 45 HD2 LYS 45 -15.072 -9.977 -1.347 378 HD3 LYS 45 HD3 LYS 45 -13.815 -11.067 -0.719 379 HE2 LYS 45 HE2 LYS 45 -15.279 -11.174 1.424 380 HE3 LYS 45 HE3 LYS 45 -16.569 -10.461 0.438 381 HZ1 LYS 45 HZ1 LYS 45 -16.365 -12.390 -1.049 382 HZ2 LYS 45 HZ2 LYS 45 -16.653 -12.871 0.485 383 HZ3 LYS 45 HZ3 LYS 45 -15.125 -12.977 -0.119 384 H LEU 46 HN LEU 46 -10.003 -6.196 0.622 385 HA LEU 46 HA LEU 46 -8.587 -8.441 1.851 386 HB2 LEU 46 HB2 LEU 46 -7.874 -5.609 1.101 387 HB3 LEU 46 HB3 LEU 46 -6.762 -6.582 2.046 388 HG LEU 46 HG LEU 46 -7.854 -7.904 -0.420 389 HD11 LEU 46 HD11 LEU 46 -6.031 -6.768 -1.787 390 HD12 LEU 46 HD12 LEU 46 -5.943 -5.571 -0.478 391 HD13 LEU 46 HD13 LEU 46 -7.440 -5.778 -1.382 392 HD21 LEU 46 HD21 LEU 46 -6.146 -8.986 1.116 393 HD22 LEU 46 HD22 LEU 46 -4.981 -7.736 0.590 394 HD23 LEU 46 HD23 LEU 46 -5.657 -8.865 -0.581 395 H SER 47 HN SER 47 -7.315 -8.124 3.959 396 HA SER 47 HA SER 47 -8.934 -7.088 6.134 397 HB2 SER 47 HB2 SER 47 -7.031 -8.843 6.357 398 HB3 SER 47 HB3 SER 47 -5.946 -7.454 6.243 399 HG SER 47 HG SER 47 -7.812 -8.123 8.238 400 H GLU 48 HN GLU 48 -8.365 -5.214 7.389 401 HA GLU 48 HA GLU 48 -7.757 -2.837 6.008 402 HB2 GLU 48 HB2 GLU 48 -7.540 -3.711 8.887 403 HB3 GLU 48 HB3 GLU 48 -7.093 -2.079 8.412 404 HG2 GLU 48 HG2 GLU 48 -9.399 -1.734 7.496 405 HG3 GLU 48 HG3 GLU 48 -9.846 -3.356 8.100 406 H VAL 49 HN VAL 49 -5.706 -5.129 7.773 407 HA VAL 49 HA VAL 49 -3.425 -3.337 7.830 408 HB VAL 49 HB VAL 49 -3.828 -6.263 8.552 409 HG11 VAL 49 HG11 VAL 49 -1.542 -6.252 8.010 410 HG12 VAL 49 HG12 VAL 49 -1.270 -4.626 8.657 411 HG13 VAL 49 HG13 VAL 49 -1.561 -5.985 9.752 412 HG21 VAL 49 HG21 VAL 49 -4.904 -4.532 9.999 413 HG22 VAL 49 HG22 VAL 49 -3.641 -5.421 10.845 414 HG23 VAL 49 HG23 VAL 49 -3.326 -3.778 10.255 415 H GLN 50 HN GLN 50 -4.468 -5.925 5.650 416 HA GLN 50 HA GLN 50 -2.124 -6.322 4.145 417 HB2 GLN 50 HB2 GLN 50 -5.030 -6.187 3.268 418 HB3 GLN 50 HB3 GLN 50 -3.730 -6.851 2.292 419 HG2 GLN 50 HG2 GLN 50 -4.413 -7.989 5.025 420 HG3 GLN 50 HG3 GLN 50 -5.210 -8.520 3.546 421 HE21 GLN 50 HE21 GLN 50 -4.216 -10.245 2.473 422 HE22 GLN 50 HE22 GLN 50 -2.549 -10.636 2.603 423 H VAL 51 HN VAL 51 -4.690 -3.803 3.747 424 HA VAL 51 HA VAL 51 -3.456 -2.500 1.530 425 HB VAL 51 HB VAL 51 -5.356 -1.311 3.599 426 HG11 VAL 51 HG11 VAL 51 -4.358 0.421 2.183 427 HG12 VAL 51 HG12 VAL 51 -4.759 -0.512 0.718 428 HG13 VAL 51 HG13 VAL 51 -6.042 0.177 1.737 429 HG21 VAL 51 HG21 VAL 51 -6.463 -3.264 2.723 430 HG22 VAL 51 HG22 VAL 51 -7.057 -1.873 1.806 431 HG23 VAL 51 HG23 VAL 51 -5.867 -2.949 1.074 432 H LYS 52 HN LYS 52 -3.242 -1.838 5.082 433 HA LYS 52 HA LYS 52 -1.669 0.507 4.665 434 HB2 LYS 52 HB2 LYS 52 -1.690 0.780 6.876 435 HB3 LYS 52 HB3 LYS 52 -2.961 -0.451 6.803 436 HG2 LYS 52 HG2 LYS 52 -1.209 -2.182 7.340 437 HG3 LYS 52 HG3 LYS 52 -0.137 -0.834 7.691 438 HD2 LYS 52 HD2 LYS 52 -1.682 0.095 9.327 439 HD3 LYS 52 HD3 LYS 52 -2.930 -1.122 8.924 440 HE2 LYS 52 HE2 LYS 52 -1.543 -2.901 9.685 441 HE3 LYS 52 HE3 LYS 52 -0.178 -1.805 9.933 442 HZ1 LYS 52 HZ1 LYS 52 -1.168 -2.198 12.046 443 HZ2 LYS 52 HZ2 LYS 52 -2.691 -1.801 11.537 444 HZ3 LYS 52 HZ3 LYS 52 -1.546 -0.655 11.616 445 H ILE 53 HN ILE 53 -0.768 -2.910 4.827 446 HA ILE 53 HA ILE 53 2.063 -2.326 4.941 447 HB ILE 53 HB ILE 53 0.654 -4.871 4.038 448 HG12 ILE 53 HG12 ILE 53 2.136 -4.468 6.667 449 HG13 ILE 53 HG13 ILE 53 0.447 -4.017 6.557 450 HG21 ILE 53 HG21 ILE 53 2.970 -4.762 3.157 451 HG22 ILE 53 HG22 ILE 53 3.567 -4.271 4.754 452 HG23 ILE 53 HG23 ILE 53 2.935 -5.909 4.490 453 HD11 ILE 53 HD11 ILE 53 0.699 -6.290 7.431 454 HD12 ILE 53 HD12 ILE 53 -0.178 -6.295 5.884 455 HD13 ILE 53 HD13 ILE 53 1.521 -6.808 5.950 456 H TRP 54 HN TRP 54 -0.272 -2.888 2.189 457 HA TRP 54 HA TRP 54 1.815 -2.870 0.233 458 HB2 TRP 54 HB2 TRP 54 -0.659 -3.575 -0.026 459 HB3 TRP 54 HB3 TRP 54 -1.009 -1.876 -0.285 460 HD1 TRP 54 HD1 TRP 54 0.177 -4.942 -1.925 461 HE1 TRP 54 HE1 TRP 54 0.543 -4.556 -4.441 462 HE3 TRP 54 HE3 TRP 54 0.053 0.181 -2.018 463 HZ2 TRP 54 HZ2 TRP 54 0.985 -2.317 -6.213 464 HZ3 TRP 54 HZ3 TRP 54 0.385 1.400 -4.158 465 HH2 TRP 54 HH2 TRP 54 0.936 0.152 -6.227 466 H PHE 55 HN PHE 55 -0.343 -0.227 1.368 467 HA PHE 55 HA PHE 55 0.726 1.829 -0.225 468 HB2 PHE 55 HB2 PHE 55 -0.829 1.686 2.325 469 HB3 PHE 55 HB3 PHE 55 -0.047 3.212 1.998 470 HD1 PHE 55 HD2 PHE 55 -2.563 0.807 0.705 471 HD2 PHE 55 HD1 PHE 55 -0.809 4.728 0.255 472 HE1 PHE 55 HE2 PHE 55 -4.467 1.511 -0.709 473 HE2 PHE 55 HE1 PHE 55 -2.713 5.382 -1.233 474 HZ PHE 55 HZ PHE 55 -4.517 3.780 -1.710 475 H GLN 56 HN GLN 56 1.877 0.771 3.068 476 HA GLN 56 HA GLN 56 3.943 2.753 3.109 477 HB2 GLN 56 HB2 GLN 56 4.823 1.699 4.953 478 HB3 GLN 56 HB3 GLN 56 3.052 1.597 5.116 479 HG2 GLN 56 HG2 GLN 56 3.264 -0.738 4.340 480 HG3 GLN 56 HG3 GLN 56 5.038 -0.564 4.443 481 HE21 GLN 56 HE21 GLN 56 1.980 -0.543 6.206 482 HE22 GLN 56 HE22 GLN 56 2.654 -0.897 7.791 483 H ASN 57 HN ASN 57 3.996 -0.667 1.969 484 HA ASN 57 HA ASN 57 6.820 -0.791 1.641 485 HB2 ASN 57 HB2 ASN 57 4.420 -2.416 0.672 486 HB3 ASN 57 HB3 ASN 57 5.970 -2.642 -0.066 487 HD21 ASN 57 HD21 ASN 57 4.493 -2.573 3.267 488 HD22 ASN 57 HD22 ASN 57 5.696 -3.667 3.926 489 H GLU 58 HN GLU 58 4.213 0.400 -0.320 490 HA GLU 58 HA GLU 58 5.793 0.760 -2.759 491 HB2 GLU 58 HB2 GLU 58 3.292 0.338 -2.588 492 HB3 GLU 58 HB3 GLU 58 3.103 1.960 -1.938 493 HG2 GLU 58 HG2 GLU 58 2.580 2.175 -4.220 494 HG3 GLU 58 HG3 GLU 58 4.192 2.833 -4.078 495 H ARG 59 HN ARG 59 4.727 2.792 0.027 496 HA ARG 59 HA ARG 59 5.586 5.297 -0.983 497 HB2 ARG 59 HB2 ARG 59 4.517 4.427 1.453 498 HB3 ARG 59 HB3 ARG 59 6.155 4.879 1.899 499 HG2 ARG 59 HG2 ARG 59 5.697 7.099 0.606 500 HG3 ARG 59 HG3 ARG 59 4.007 6.576 0.580 501 HD2 ARG 59 HD2 ARG 59 3.984 7.844 2.510 502 HD3 ARG 59 HD3 ARG 59 4.361 6.272 3.198 503 HE ARG 59 HE ARG 59 6.521 6.961 3.681 504 HH11 ARG 59 HH11 ARG 59 4.946 9.390 1.595 505 HH12 ARG 59 HH12 ARG 59 6.114 10.624 1.907 506 HH21 ARG 59 HH21 ARG 59 8.128 8.704 4.079 507 HH22 ARG 59 HH22 ARG 59 7.923 10.233 3.317 508 H ALA 60 HN ALA 60 7.412 2.634 0.392 509 HA ALA 60 HA ALA 60 9.906 4.134 0.639 510 HB1 ALA 60 HB1 ALA 60 10.959 1.968 0.925 511 HB2 ALA 60 HB2 ALA 60 9.522 2.089 1.952 512 HB3 ALA 60 HB3 ALA 60 9.461 1.124 0.462 513 H LYS 61 HN LYS 61 8.590 1.796 -1.784 514 HA LYS 61 HA LYS 61 10.992 1.898 -3.337 515 HB2 LYS 61 HB2 LYS 61 10.094 0.415 -4.764 516 HB3 LYS 61 HB3 LYS 61 9.312 0.039 -3.234 517 HG2 LYS 61 HG2 LYS 61 7.621 -0.210 -4.597 518 HG3 LYS 61 HG3 LYS 61 7.316 1.461 -4.174 519 HD2 LYS 61 HD2 LYS 61 7.620 2.178 -6.317 520 HD3 LYS 61 HD3 LYS 61 8.999 1.120 -6.613 521 HE2 LYS 61 HE2 LYS 61 7.786 -0.479 -7.567 522 HE3 LYS 61 HE3 LYS 61 6.555 -0.462 -6.305 523 HZ1 LYS 61 HZ1 LYS 61 6.573 1.608 -8.377 524 HZ2 LYS 61 HZ2 LYS 61 5.342 1.109 -7.398 525 HZ3 LYS 61 HZ3 LYS 61 5.845 0.164 -8.629 526 H TRP 62 HN TRP 62 7.949 3.766 -3.554 527 HA TRP 62 HA TRP 62 8.868 5.147 -5.917 528 HB2 TRP 62 HB2 TRP 62 6.452 5.098 -4.924 529 HB3 TRP 62 HB3 TRP 62 7.009 6.407 -3.904 530 HD1 TRP 62 HD1 TRP 62 5.921 5.622 -7.468 531 HE1 TRP 62 HE1 TRP 62 6.017 7.615 -8.971 532 HE3 TRP 62 HE3 TRP 62 8.328 8.841 -4.314 533 HZ2 TRP 62 HZ2 TRP 62 7.055 10.329 -8.887 534 HZ3 TRP 62 HZ3 TRP 62 8.997 11.080 -5.136 535 HH2 TRP 62 HH2 TRP 62 8.350 11.846 -7.405 536 H LYS 63 HN LYS 63 9.202 5.789 -2.326 537 HA LYS 63 HA LYS 63 10.117 8.412 -2.678 538 HB2 LYS 63 HB2 LYS 63 10.400 6.399 -0.450 539 HB3 LYS 63 HB3 LYS 63 11.603 7.661 -0.504 540 HG2 LYS 63 HG2 LYS 63 9.344 9.203 -0.945 541 HG3 LYS 63 HG3 LYS 63 8.674 7.928 0.041 542 HD2 LYS 63 HD2 LYS 63 9.359 9.659 1.487 543 HD3 LYS 63 HD3 LYS 63 10.594 8.408 1.706 544 HE2 LYS 63 HE2 LYS 63 12.138 9.605 0.243 545 HE3 LYS 63 HE3 LYS 63 10.876 10.731 -0.260 546 HZ1 LYS 63 HZ1 LYS 63 12.279 11.749 1.324 547 HZ2 LYS 63 HZ2 LYS 63 12.041 10.553 2.434 548 HZ3 LYS 63 HZ3 LYS 63 10.803 11.551 2.015 549 H ARG 64 HN ARG 64 12.101 5.453 -2.905 550 HA ARG 64 HA ARG 64 14.545 6.835 -3.060 551 HB2 ARG 64 HB2 ARG 64 13.640 4.200 -4.272 552 HB3 ARG 64 HB3 ARG 64 15.269 4.855 -4.528 553 HG2 ARG 64 HG2 ARG 64 15.266 5.075 -1.880 554 HG3 ARG 64 HG3 ARG 64 13.993 3.853 -1.965 555 HD2 ARG 64 HD2 ARG 64 15.473 2.365 -3.226 556 HD3 ARG 64 HD3 ARG 64 16.713 3.631 -3.358 557 HE ARG 64 HE ARG 64 16.215 1.860 -1.121 558 HH11 ARG 64 HH11 ARG 64 17.466 5.122 -1.858 559 HH12 ARG 64 HH12 ARG 64 18.748 5.033 -0.697 560 HH21 ARG 64 HH21 ARG 64 18.053 1.674 0.180 561 HH22 ARG 64 HH22 ARG 64 18.985 3.059 0.643 562 H ILE 65 HN ILE 65 12.159 6.503 -5.458 563 HA ILE 65 HA ILE 65 13.675 7.270 -7.768 564 HB ILE 65 HB ILE 65 10.687 7.650 -7.382 565 HG12 ILE 65 HG12 ILE 65 12.114 5.182 -8.489 566 HG13 ILE 65 HG13 ILE 65 11.408 5.292 -6.874 567 HG21 ILE 65 HG21 ILE 65 12.477 7.445 -9.825 568 HG22 ILE 65 HG22 ILE 65 10.684 7.405 -9.879 569 HG23 ILE 65 HG23 ILE 65 11.504 8.825 -9.300 570 HD11 ILE 65 HD11 ILE 65 9.799 4.163 -8.150 571 HD12 ILE 65 HD12 ILE 65 9.176 5.815 -7.972 572 HD13 ILE 65 HD13 ILE 65 9.917 5.319 -9.502 573 H LYS 66 HN LYS 66 12.328 9.120 -5.103 574 HA LYS 66 HA LYS 66 12.176 11.599 -6.567 575 HB2 LYS 66 HB2 LYS 66 11.316 10.835 -4.070 576 HB3 LYS 66 HB3 LYS 66 12.718 11.838 -3.651 577 HG2 LYS 66 HG2 LYS 66 11.803 13.683 -5.040 578 HG3 LYS 66 HG3 LYS 66 10.516 12.630 -5.603 579 HD2 LYS 66 HD2 LYS 66 9.525 14.063 -4.080 580 HD3 LYS 66 HD3 LYS 66 9.628 12.504 -3.246 581 HE2 LYS 66 HE2 LYS 66 11.460 13.266 -1.874 582 HE3 LYS 66 HE3 LYS 66 11.773 14.633 -2.955 583 HZ1 LYS 66 HZ1 LYS 66 9.389 14.377 -1.236 584 HZ2 LYS 66 HZ2 LYS 66 9.679 15.605 -2.301 585 HZ3 LYS 66 HZ3 LYS 66 10.652 15.385 -1.013 586 H ALA 67 HN ALA 67 14.836 9.773 -5.649 587 HA ALA 67 HA ALA 67 16.965 9.885 -5.966 588 HB1 ALA 67 HB1 ALA 67 16.681 12.736 -6.991 589 HB2 ALA 67 HB2 ALA 67 18.139 11.742 -6.998 590 HB3 ALA 67 HB3 ALA 67 16.719 11.236 -7.968 591 H GLY 68 HN GLY 68 15.855 13.004 -4.779 592 HA2 GLY 68 HA1 GLY 68 16.343 14.243 -2.832 593 HA3 GLY 68 HA2 GLY 68 16.999 12.770 -2.090 594 H ASN 69 HN ASN 69 18.593 14.533 -1.357 595 HA ASN 69 HA ASN 69 20.627 15.485 -1.361 596 HB2 ASN 69 HB2 ASN 69 21.002 12.930 -1.697 597 HB3 ASN 69 HB3 ASN 69 21.697 13.460 -3.226 598 HD21 ASN 69 HD21 ASN 69 22.776 12.551 -0.333 599 HD22 ASN 69 HD22 ASN 69 23.983 13.752 0.023 600 H VAL 70 HN VAL 70 19.070 16.846 -3.035 601 HA VAL 70 HA VAL 70 18.869 18.234 -4.823 602 HB VAL 70 HB VAL 70 21.867 18.523 -4.928 603 HG11 VAL 70 HG11 VAL 70 20.454 19.951 -6.437 604 HG12 VAL 70 HG12 VAL 70 19.578 20.557 -5.024 605 HG13 VAL 70 HG13 VAL 70 21.308 20.908 -5.236 606 HG21 VAL 70 HG21 VAL 70 20.092 19.664 -2.734 607 HG22 VAL 70 HG22 VAL 70 21.398 18.477 -2.532 608 HG23 VAL 70 HG23 VAL 70 21.785 20.106 -3.045 609 H SER 71 HN SER 71 19.082 15.365 -5.448 610 HA SER 71 HA SER 71 18.626 14.176 -7.244 611 HB2 SER 71 HB2 SER 71 17.956 16.329 -8.421 612 HB3 SER 71 HB3 SER 71 19.586 16.368 -9.099 613 HG SER 71 HG SER 71 17.507 14.459 -9.549 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 17.652 -31.493 10.290 2 HA2 GLY 1 HA1 GLY 1 19.827 -30.785 11.261 3 HA3 GLY 1 HA2 GLY 1 19.822 -29.475 10.050 4 H ALA 2 HN ALA 2 19.834 -27.897 11.846 5 HA ALA 2 HA ALA 2 17.456 -27.502 13.453 6 HB1 ALA 2 HB1 ALA 2 19.657 -26.489 14.031 7 HB2 ALA 2 HB2 ALA 2 19.678 -25.635 12.466 8 HB3 ALA 2 HB3 ALA 2 18.477 -25.215 13.686 9 HA PRO 3 HA PRO 3 15.191 -25.303 10.088 10 HB2 PRO 3 HB2 PRO 3 14.068 -23.184 11.431 11 HB3 PRO 3 HB3 PRO 3 13.459 -24.861 11.573 12 HG2 PRO 3 HG2 PRO 3 15.360 -23.411 13.435 13 HG3 PRO 3 HG3 PRO 3 13.880 -24.335 13.862 14 HD2 PRO 3 HD2 PRO 3 16.342 -25.454 14.019 15 HD3 PRO 3 HD3 PRO 3 14.946 -26.405 13.442 16 H GLY 4 HN GLY 4 15.207 -22.954 9.162 17 HA2 GLY 4 HA1 GLY 4 17.738 -21.494 9.612 18 HA3 GLY 4 HA2 GLY 4 17.510 -22.323 8.059 19 H GLY 5 HN GLY 5 15.429 -20.456 10.279 20 HA2 GLY 5 HA1 GLY 5 14.284 -18.481 10.021 21 HA3 GLY 5 HA2 GLY 5 15.065 -18.244 8.451 22 H LYS 6 HN LYS 6 12.076 -18.657 9.836 23 HA LYS 6 HA LYS 6 10.963 -19.622 7.253 24 HB2 LYS 6 HB2 LYS 6 9.444 -21.170 8.281 25 HB3 LYS 6 HB3 LYS 6 11.114 -21.625 8.536 26 HG2 LYS 6 HG2 LYS 6 11.010 -20.896 10.896 27 HG3 LYS 6 HG3 LYS 6 9.332 -20.363 10.659 28 HD2 LYS 6 HD2 LYS 6 8.771 -22.687 9.888 29 HD3 LYS 6 HD3 LYS 6 10.397 -23.206 10.342 30 HE2 LYS 6 HE2 LYS 6 9.953 -22.728 12.695 31 HE3 LYS 6 HE3 LYS 6 8.429 -21.930 12.291 32 HZ1 LYS 6 HZ1 LYS 6 8.073 -24.198 13.081 33 HZ2 LYS 6 HZ2 LYS 6 8.944 -24.803 11.806 34 HZ3 LYS 6 HZ3 LYS 6 7.552 -24.010 11.522 35 H SER 7 HN SER 7 11.025 -16.949 7.884 36 HA SER 7 HA SER 7 8.141 -16.402 8.394 37 HB2 SER 7 HB2 SER 7 9.551 -14.173 9.361 38 HB3 SER 7 HB3 SER 7 8.647 -15.378 10.281 39 HG SER 7 HG SER 7 11.416 -15.242 9.783 40 H ARG 8 HN ARG 8 7.384 -14.425 7.497 41 HA ARG 8 HA ARG 8 8.579 -12.434 6.178 42 HB2 ARG 8 HB2 ARG 8 8.248 -14.712 4.250 43 HB3 ARG 8 HB3 ARG 8 7.525 -13.199 3.736 44 HG2 ARG 8 HG2 ARG 8 9.734 -12.037 4.262 45 HG3 ARG 8 HG3 ARG 8 10.466 -13.638 4.372 46 HD2 ARG 8 HD2 ARG 8 8.967 -12.502 1.981 47 HD3 ARG 8 HD3 ARG 8 10.729 -12.582 2.145 48 HE ARG 8 HE ARG 8 9.981 -15.188 2.469 49 HH11 ARG 8 HH11 ARG 8 9.378 -12.773 -0.061 50 HH12 ARG 8 HH12 ARG 8 9.891 -13.744 -1.372 51 HH21 ARG 8 HH21 ARG 8 10.159 -16.687 0.705 52 HH22 ARG 8 HH22 ARG 8 10.136 -16.115 -0.930 53 H ARG 9 HN ARG 9 6.934 -10.846 5.696 54 HA ARG 9 HA ARG 9 4.338 -11.765 4.772 55 HB2 ARG 9 HB2 ARG 9 4.029 -11.887 7.242 56 HB3 ARG 9 HB3 ARG 9 4.383 -10.165 7.349 57 HG2 ARG 9 HG2 ARG 9 2.384 -9.709 5.878 58 HG3 ARG 9 HG3 ARG 9 2.059 -11.459 5.827 59 HD2 ARG 9 HD2 ARG 9 1.692 -11.538 8.208 60 HD3 ARG 9 HD3 ARG 9 2.342 -9.935 8.412 61 HE ARG 9 HE ARG 9 -0.264 -10.486 7.071 62 HH11 ARG 9 HH11 ARG 9 1.689 -8.516 9.347 63 HH12 ARG 9 HH12 ARG 9 0.400 -7.461 9.751 64 HH21 ARG 9 HH21 ARG 9 -2.060 -9.071 7.734 65 HH22 ARG 9 HH22 ARG 9 -1.765 -7.892 8.933 66 H ARG 10 HN ARG 10 5.206 -10.667 2.893 67 HA ARG 10 HA ARG 10 5.249 -7.700 3.027 68 HB2 ARG 10 HB2 ARG 10 7.498 -9.506 2.193 69 HB3 ARG 10 HB3 ARG 10 7.261 -7.991 1.315 70 HG2 ARG 10 HG2 ARG 10 7.232 -7.885 4.323 71 HG3 ARG 10 HG3 ARG 10 8.774 -8.126 3.514 72 HD2 ARG 10 HD2 ARG 10 7.027 -5.887 2.509 73 HD3 ARG 10 HD3 ARG 10 7.768 -5.700 4.106 74 HE ARG 10 HE ARG 10 9.918 -6.442 2.839 75 HH11 ARG 10 HH11 ARG 10 7.557 -3.893 1.907 76 HH12 ARG 10 HH12 ARG 10 8.770 -2.924 1.175 77 HH21 ARG 10 HH21 ARG 10 11.454 -5.104 1.859 78 HH22 ARG 10 HH22 ARG 10 10.978 -3.619 1.079 79 H ARG 11 HN ARG 11 3.858 -6.996 1.642 80 HA ARG 11 HA ARG 11 2.624 -6.609 -0.218 81 HB2 ARG 11 HB2 ARG 11 4.727 -5.805 -0.973 82 HB3 ARG 11 HB3 ARG 11 5.256 -7.409 -1.434 83 HG2 ARG 11 HG2 ARG 11 3.499 -7.433 -3.251 84 HG3 ARG 11 HG3 ARG 11 3.026 -5.789 -2.778 85 HD2 ARG 11 HD2 ARG 11 5.204 -4.925 -3.350 86 HD3 ARG 11 HD3 ARG 11 5.879 -6.535 -3.467 87 HE ARG 11 HE ARG 11 3.789 -5.640 -5.370 88 HH11 ARG 11 HH11 ARG 11 7.044 -7.108 -4.851 89 HH12 ARG 11 HH12 ARG 11 7.356 -7.244 -6.530 90 HH21 ARG 11 HH21 ARG 11 4.214 -6.025 -7.605 91 HH22 ARG 11 HH22 ARG 11 5.708 -6.770 -8.054 92 H THR 12 HN THR 12 1.111 -8.061 0.292 93 HA THR 12 HA THR 12 0.972 -10.768 -0.410 94 HB THR 12 HB THR 12 -1.466 -9.065 -0.271 95 HG1 THR 12 HG1 THR 12 -0.388 -8.009 1.263 96 HG21 THR 12 HG21 THR 12 -1.690 -11.525 -0.230 97 HG22 THR 12 HG22 THR 12 -2.242 -10.802 1.278 98 HG23 THR 12 HG23 THR 12 -0.658 -11.595 1.214 99 H ALA 13 HN ALA 13 -0.502 -11.778 -1.942 100 HA ALA 13 HA ALA 13 -0.554 -10.970 -4.631 101 HB1 ALA 13 HB1 ALA 13 -0.981 -13.264 -3.908 102 HB2 ALA 13 HB2 ALA 13 -2.443 -12.748 -3.035 103 HB3 ALA 13 HB3 ALA 13 -2.381 -12.643 -4.801 104 H PHE 14 HN PHE 14 -1.117 -8.858 -4.885 105 HA PHE 14 HA PHE 14 -4.008 -8.114 -4.483 106 HB2 PHE 14 HB2 PHE 14 -1.506 -6.416 -4.569 107 HB3 PHE 14 HB3 PHE 14 -3.048 -5.789 -5.103 108 HD1 PHE 14 HD1 PHE 14 -2.453 -7.950 -2.060 109 HD2 PHE 14 HD2 PHE 14 -3.603 -4.125 -3.638 110 HE1 PHE 14 HE1 PHE 14 -2.865 -7.152 0.224 111 HE2 PHE 14 HE2 PHE 14 -4.110 -3.352 -1.328 112 HZ PHE 14 HZ PHE 14 -3.640 -4.789 0.595 113 H THR 15 HN THR 15 -5.152 -8.169 -6.424 114 HA THR 15 HA THR 15 -3.712 -8.631 -8.922 115 HB THR 15 HB THR 15 -6.032 -8.463 -9.876 116 HG1 THR 15 HG1 THR 15 -7.723 -8.586 -8.187 117 HG21 THR 15 HG21 THR 15 -6.818 -10.612 -8.892 118 HG22 THR 15 HG22 THR 15 -5.809 -10.368 -7.461 119 HG23 THR 15 HG23 THR 15 -5.056 -10.682 -9.039 120 H SER 16 HN SER 16 -4.413 -7.286 -10.836 121 HA SER 16 HA SER 16 -3.321 -4.780 -10.698 122 HB2 SER 16 HB2 SER 16 -4.368 -4.545 -12.921 123 HB3 SER 16 HB3 SER 16 -3.441 -6.053 -12.634 124 HG SER 16 HG SER 16 -5.495 -6.323 -13.744 125 H GLU 17 HN GLU 17 -6.856 -5.577 -10.538 126 HA GLU 17 HA GLU 17 -7.940 -3.049 -10.700 127 HB2 GLU 17 HB2 GLU 17 -9.038 -5.342 -10.717 128 HB3 GLU 17 HB3 GLU 17 -8.696 -5.455 -8.980 129 HG2 GLU 17 HG2 GLU 17 -9.933 -2.979 -9.269 130 HG3 GLU 17 HG3 GLU 17 -10.797 -3.962 -10.452 131 H GLN 18 HN GLN 18 -6.826 -4.961 -7.902 132 HA GLN 18 HA GLN 18 -7.450 -3.036 -5.905 133 HB2 GLN 18 HB2 GLN 18 -5.423 -5.295 -5.684 134 HB3 GLN 18 HB3 GLN 18 -6.404 -4.582 -4.403 135 HG2 GLN 18 HG2 GLN 18 -8.470 -5.550 -5.554 136 HG3 GLN 18 HG3 GLN 18 -7.419 -6.271 -6.724 137 HE21 GLN 18 HE21 GLN 18 -9.078 -7.028 -3.872 138 HE22 GLN 18 HE22 GLN 18 -8.150 -8.456 -3.492 139 H LEU 19 HN LEU 19 -4.594 -3.731 -7.936 140 HA LEU 19 HA LEU 19 -2.850 -1.973 -6.400 141 HB2 LEU 19 HB2 LEU 19 -2.718 -3.402 -9.074 142 HB3 LEU 19 HB3 LEU 19 -1.434 -2.355 -8.545 143 HG LEU 19 HG LEU 19 -2.412 -4.809 -7.013 144 HD11 LEU 19 HD11 LEU 19 -0.405 -5.940 -7.820 145 HD12 LEU 19 HD12 LEU 19 0.047 -4.494 -8.757 146 HD13 LEU 19 HD13 LEU 19 -1.421 -5.425 -9.164 147 HD21 LEU 19 HD21 LEU 19 -0.377 -4.711 -5.705 148 HD22 LEU 19 HD22 LEU 19 -1.278 -3.211 -5.500 149 HD23 LEU 19 HD23 LEU 19 0.154 -3.243 -6.548 150 H LEU 20 HN LEU 20 -5.350 -1.306 -8.666 151 HA LEU 20 HA LEU 20 -4.068 0.764 -10.208 152 HB2 LEU 20 HB2 LEU 20 -6.186 -0.785 -10.667 153 HB3 LEU 20 HB3 LEU 20 -7.072 0.358 -9.732 154 HG LEU 20 HG LEU 20 -7.547 1.066 -11.822 155 HD11 LEU 20 HD11 LEU 20 -6.610 3.025 -10.668 156 HD12 LEU 20 HD12 LEU 20 -6.376 3.102 -12.422 157 HD13 LEU 20 HD13 LEU 20 -5.013 2.677 -11.382 158 HD21 LEU 20 HD21 LEU 20 -5.997 1.014 -13.725 159 HD22 LEU 20 HD22 LEU 20 -6.193 -0.564 -12.945 160 HD23 LEU 20 HD23 LEU 20 -4.710 0.380 -12.654 161 H GLU 21 HN GLU 21 -6.619 0.683 -7.850 162 HA GLU 21 HA GLU 21 -7.111 3.396 -7.389 163 HB2 GLU 21 HB2 GLU 21 -7.545 0.825 -5.826 164 HB3 GLU 21 HB3 GLU 21 -8.366 2.312 -5.380 165 HG2 GLU 21 HG2 GLU 21 -8.595 0.961 -8.112 166 HG3 GLU 21 HG3 GLU 21 -9.726 0.745 -6.784 167 H LEU 22 HN LEU 22 -5.086 1.072 -5.708 168 HA LEU 22 HA LEU 22 -4.162 2.567 -3.503 169 HB2 LEU 22 HB2 LEU 22 -3.319 0.197 -5.142 170 HB3 LEU 22 HB3 LEU 22 -2.044 0.959 -4.218 171 HG LEU 22 HG LEU 22 -3.055 0.554 -2.151 172 HD11 LEU 22 HD11 LEU 22 -5.446 1.102 -2.570 173 HD12 LEU 22 HD12 LEU 22 -5.277 -0.482 -1.815 174 HD13 LEU 22 HD13 LEU 22 -5.612 -0.351 -3.551 175 HD21 LEU 22 HD21 LEU 22 -2.150 -1.440 -3.619 176 HD22 LEU 22 HD22 LEU 22 -3.837 -1.959 -3.621 177 HD23 LEU 22 HD23 LEU 22 -2.959 -1.753 -2.085 178 H ARG 23 HN ARG 23 -3.065 2.660 -6.909 179 HA ARG 23 HA ARG 23 -0.722 4.302 -6.156 180 HB2 ARG 23 HB2 ARG 23 -1.772 3.186 -8.794 181 HB3 ARG 23 HB3 ARG 23 -0.374 4.274 -8.673 182 HG2 ARG 23 HG2 ARG 23 0.801 2.652 -7.237 183 HG3 ARG 23 HG3 ARG 23 -0.631 1.620 -7.263 184 HD2 ARG 23 HD2 ARG 23 0.900 0.699 -8.877 185 HD3 ARG 23 HD3 ARG 23 -0.397 1.488 -9.795 186 HE ARG 23 HE ARG 23 1.948 3.128 -9.142 187 HH11 ARG 23 HH11 ARG 23 0.511 1.124 -11.704 188 HH12 ARG 23 HH12 ARG 23 1.488 1.810 -12.955 189 HH21 ARG 23 HH21 ARG 23 3.176 3.992 -10.671 190 HH22 ARG 23 HH22 ARG 23 3.104 3.526 -12.349 191 H LYS 24 HN LYS 24 -3.978 4.568 -7.501 192 HA LYS 24 HA LYS 24 -3.795 7.279 -8.361 193 HB2 LYS 24 HB2 LYS 24 -6.233 5.886 -7.184 194 HB3 LYS 24 HB3 LYS 24 -6.236 7.383 -8.093 195 HG2 LYS 24 HG2 LYS 24 -5.111 4.908 -9.406 196 HG3 LYS 24 HG3 LYS 24 -6.833 5.018 -9.171 197 HD2 LYS 24 HD2 LYS 24 -6.236 5.731 -11.382 198 HD3 LYS 24 HD3 LYS 24 -6.889 7.113 -10.487 199 HE2 LYS 24 HE2 LYS 24 -4.739 8.106 -10.239 200 HE3 LYS 24 HE3 LYS 24 -3.892 6.623 -10.694 201 HZ1 LYS 24 HZ1 LYS 24 -5.674 8.051 -12.546 202 HZ2 LYS 24 HZ2 LYS 24 -4.590 6.867 -12.903 203 HZ3 LYS 24 HZ3 LYS 24 -4.071 8.384 -12.420 204 H GLU 25 HN GLU 25 -4.952 5.857 -5.269 205 HA GLU 25 HA GLU 25 -5.263 8.318 -3.971 206 HB2 GLU 25 HB2 GLU 25 -5.171 5.443 -3.191 207 HB3 GLU 25 HB3 GLU 25 -4.687 6.546 -1.916 208 HG2 GLU 25 HG2 GLU 25 -7.277 6.775 -3.455 209 HG3 GLU 25 HG3 GLU 25 -7.098 6.065 -1.843 210 H PHE 26 HN PHE 26 -2.301 6.475 -4.430 211 HA PHE 26 HA PHE 26 -0.751 7.669 -2.386 212 HB2 PHE 26 HB2 PHE 26 -0.179 5.666 -3.855 213 HB3 PHE 26 HB3 PHE 26 0.264 6.805 -5.122 214 HD1 PHE 26 HD2 PHE 26 1.023 5.618 -1.682 215 HD2 PHE 26 HD1 PHE 26 2.350 8.073 -4.952 216 HE1 PHE 26 HE2 PHE 26 3.212 5.862 -0.609 217 HE2 PHE 26 HE1 PHE 26 4.589 8.302 -3.886 218 HZ PHE 26 HZ PHE 26 5.033 7.194 -1.715 219 H HIS 27 HN HIS 27 -1.822 8.949 -5.462 220 HA HIS 27 HA HIS 27 -0.108 11.372 -5.170 221 HB2 HIS 27 HB2 HIS 27 -0.713 9.628 -7.442 222 HB3 HIS 27 HB3 HIS 27 -1.221 11.280 -7.758 223 HD1 HIS 27 HD1 HIS 27 0.577 12.891 -8.505 224 HD2 HIS 27 HD2 HIS 27 2.033 9.443 -6.584 225 HE1 HIS 27 HE1 HIS 27 3.108 12.989 -8.708 226 H CYS 28 HN CYS 28 -3.413 10.186 -5.371 227 HA CYS 28 HA CYS 28 -4.599 12.783 -5.714 228 HB2 CYS 28 HB2 CYS 28 -5.584 10.379 -6.099 229 HB3 CYS 28 HB3 CYS 28 -5.984 10.445 -4.372 230 HG CYS 28 HG CYS 28 -8.052 10.993 -5.878 231 H LYS 29 HN LYS 29 -3.693 10.765 -2.845 232 HA LYS 29 HA LYS 29 -4.187 13.091 -1.077 233 HB2 LYS 29 HB2 LYS 29 -6.001 11.024 -1.287 234 HB3 LYS 29 HB3 LYS 29 -4.898 10.345 -0.133 235 HG2 LYS 29 HG2 LYS 29 -5.269 12.167 1.423 236 HG3 LYS 29 HG3 LYS 29 -6.187 13.075 0.211 237 HD2 LYS 29 HD2 LYS 29 -7.077 10.354 1.299 238 HD3 LYS 29 HD3 LYS 29 -7.553 11.913 1.993 239 HE2 LYS 29 HE2 LYS 29 -9.314 11.829 0.605 240 HE3 LYS 29 HE3 LYS 29 -8.176 12.370 -0.628 241 HZ1 LYS 29 HZ1 LYS 29 -9.013 9.579 -0.102 242 HZ2 LYS 29 HZ2 LYS 29 -7.861 9.981 -1.202 243 HZ3 LYS 29 HZ3 LYS 29 -9.410 10.469 -1.393 244 H LYS 30 HN LYS 30 -3.364 12.246 1.204 245 HA LYS 30 HA LYS 30 -0.581 11.212 0.813 246 HB2 LYS 30 HB2 LYS 30 0.094 12.836 2.563 247 HB3 LYS 30 HB3 LYS 30 -0.453 13.599 1.084 248 HG2 LYS 30 HG2 LYS 30 -2.504 13.148 3.222 249 HG3 LYS 30 HG3 LYS 30 -1.228 14.338 3.570 250 HD2 LYS 30 HD2 LYS 30 -1.887 15.431 1.323 251 HD3 LYS 30 HD3 LYS 30 -3.349 14.435 1.395 252 HE2 LYS 30 HE2 LYS 30 -3.847 15.429 3.645 253 HE3 LYS 30 HE3 LYS 30 -2.380 16.413 3.517 254 HZ1 LYS 30 HZ1 LYS 30 -4.360 17.644 2.870 255 HZ2 LYS 30 HZ2 LYS 30 -4.709 16.568 1.702 256 HZ3 LYS 30 HZ3 LYS 30 -3.373 17.496 1.562 257 H TYR 31 HN TYR 31 -3.526 10.685 2.532 258 HA TYR 31 HA TYR 31 -2.382 8.503 3.811 259 HB2 TYR 31 HB2 TYR 31 -3.182 9.056 6.157 260 HB3 TYR 31 HB3 TYR 31 -1.743 9.904 5.643 261 HD1 TYR 31 HD2 TYR 31 -5.337 10.301 6.486 262 HD2 TYR 31 HD1 TYR 31 -1.694 12.287 5.259 263 HE1 TYR 31 HE2 TYR 31 -6.357 12.473 6.993 264 HE2 TYR 31 HE1 TYR 31 -2.741 14.478 5.713 265 HH TYR 31 HH TYR 31 -5.395 14.859 7.598 266 H LEU 32 HN LEU 32 -4.250 7.312 5.025 267 HA LEU 32 HA LEU 32 -6.852 7.889 3.662 268 HB2 LEU 32 HB2 LEU 32 -5.756 5.242 4.664 269 HB3 LEU 32 HB3 LEU 32 -7.392 5.508 4.097 270 HG LEU 32 HG LEU 32 -4.875 5.731 2.421 271 HD11 LEU 32 HD11 LEU 32 -5.378 3.415 3.031 272 HD12 LEU 32 HD12 LEU 32 -5.849 3.655 1.347 273 HD13 LEU 32 HD13 LEU 32 -7.092 3.630 2.579 274 HD21 LEU 32 HD21 LEU 32 -7.748 5.705 1.393 275 HD22 LEU 32 HD22 LEU 32 -6.264 5.979 0.486 276 HD23 LEU 32 HD23 LEU 32 -6.814 7.212 1.597 277 H SER 33 HN SER 33 -8.089 8.960 5.049 278 HA SER 33 HA SER 33 -8.228 8.933 7.840 279 HB2 SER 33 HB2 SER 33 -10.634 8.988 6.013 280 HB3 SER 33 HB3 SER 33 -10.325 9.994 7.423 281 HG SER 33 HG SER 33 -10.158 10.886 5.192 282 H LEU 34 HN LEU 34 -10.046 7.812 9.144 283 HA LEU 34 HA LEU 34 -9.855 5.012 8.986 284 HB2 LEU 34 HB2 LEU 34 -11.707 7.007 10.317 285 HB3 LEU 34 HB3 LEU 34 -12.201 5.322 10.306 286 HG LEU 34 HG LEU 34 -10.986 6.087 12.352 287 HD11 LEU 34 HD11 LEU 34 -9.785 4.012 12.648 288 HD12 LEU 34 HD12 LEU 34 -9.698 3.755 10.887 289 HD13 LEU 34 HD13 LEU 34 -11.264 3.702 11.714 290 HD21 LEU 34 HD21 LEU 34 -8.469 5.975 10.658 291 HD22 LEU 34 HD22 LEU 34 -8.586 6.244 12.403 292 HD23 LEU 34 HD23 LEU 34 -9.238 7.459 11.301 293 H THR 35 HN THR 35 -12.410 7.157 7.717 294 HA THR 35 HA THR 35 -14.057 5.115 6.687 295 HB THR 35 HB THR 35 -13.823 8.021 5.866 296 HG1 THR 35 HG1 THR 35 -14.892 6.934 8.261 297 HG21 THR 35 HG21 THR 35 -16.239 6.182 6.187 298 HG22 THR 35 HG22 THR 35 -15.548 6.750 4.641 299 HG23 THR 35 HG23 THR 35 -16.304 7.899 5.742 300 H GLU 36 HN GLU 36 -11.318 6.936 5.258 301 HA GLU 36 HA GLU 36 -11.755 6.122 2.490 302 HB2 GLU 36 HB2 GLU 36 -9.252 7.030 3.973 303 HB3 GLU 36 HB3 GLU 36 -9.388 6.804 2.239 304 HG2 GLU 36 HG2 GLU 36 -11.012 8.826 3.809 305 HG3 GLU 36 HG3 GLU 36 -9.506 9.169 2.963 306 H ARG 37 HN ARG 37 -9.757 5.089 5.198 307 HA ARG 37 HA ARG 37 -8.569 2.806 3.999 308 HB2 ARG 37 HB2 ARG 37 -8.254 4.354 6.224 309 HB3 ARG 37 HB3 ARG 37 -8.925 2.955 6.977 310 HG2 ARG 37 HG2 ARG 37 -7.074 1.580 5.925 311 HG3 ARG 37 HG3 ARG 37 -6.455 3.064 5.173 312 HD2 ARG 37 HD2 ARG 37 -6.440 4.044 7.603 313 HD3 ARG 37 HD3 ARG 37 -6.576 2.355 8.105 314 HE ARG 37 HE ARG 37 -4.459 1.886 7.265 315 HH11 ARG 37 HH11 ARG 37 -5.128 5.443 6.888 316 HH12 ARG 37 HH12 ARG 37 -3.440 5.770 6.655 317 HH21 ARG 37 HH21 ARG 37 -2.189 2.591 7.211 318 HH22 ARG 37 HH22 ARG 37 -1.855 4.216 6.844 319 H SER 38 HN SER 38 -11.614 3.322 5.099 320 HA SER 38 HA SER 38 -12.339 0.445 5.327 321 HB2 SER 38 HB2 SER 38 -13.422 2.424 6.678 322 HB3 SER 38 HB3 SER 38 -14.400 2.633 5.221 323 HG SER 38 HG SER 38 -15.536 1.095 6.026 324 H GLN 39 HN GLN 39 -13.241 3.258 3.121 325 HA GLN 39 HA GLN 39 -14.653 1.790 1.227 326 HB2 GLN 39 HB2 GLN 39 -12.865 4.256 0.959 327 HB3 GLN 39 HB3 GLN 39 -13.902 3.674 -0.340 328 HG2 GLN 39 HG2 GLN 39 -15.890 4.163 0.860 329 HG3 GLN 39 HG3 GLN 39 -15.059 4.373 2.378 330 HE21 GLN 39 HE21 GLN 39 -13.808 6.237 2.763 331 HE22 GLN 39 HE22 GLN 39 -13.793 7.670 1.748 332 H ILE 40 HN ILE 40 -11.157 2.652 1.085 333 HA ILE 40 HA ILE 40 -10.743 1.114 -1.310 334 HB ILE 40 HB ILE 40 -8.788 2.310 0.695 335 HG12 ILE 40 HG12 ILE 40 -10.133 4.146 0.064 336 HG13 ILE 40 HG13 ILE 40 -8.692 4.284 -0.915 337 HG21 ILE 40 HG21 ILE 40 -8.342 1.607 -2.244 338 HG22 ILE 40 HG22 ILE 40 -7.227 2.589 -1.272 339 HG23 ILE 40 HG23 ILE 40 -7.509 0.915 -0.841 340 HD11 ILE 40 HD11 ILE 40 -10.670 4.735 -2.260 341 HD12 ILE 40 HD12 ILE 40 -9.944 3.209 -2.813 342 HD13 ILE 40 HD13 ILE 40 -11.391 3.189 -1.781 343 H ALA 41 HN ALA 41 -11.352 -0.009 1.578 344 HA ALA 41 HA ALA 41 -9.713 -2.518 1.300 345 HB1 ALA 41 HB1 ALA 41 -9.709 -1.687 3.613 346 HB2 ALA 41 HB2 ALA 41 -11.483 -1.703 3.650 347 HB3 ALA 41 HB3 ALA 41 -10.586 -3.212 3.483 348 H HIS 42 HN HIS 42 -13.137 -1.475 1.937 349 HA HIS 42 HA HIS 42 -14.103 -4.093 1.304 350 HB2 HIS 42 HB2 HIS 42 -15.241 -2.490 2.828 351 HB3 HIS 42 HB3 HIS 42 -15.628 -1.465 1.440 352 HD1 HIS 42 HD1 HIS 42 -16.341 -5.138 2.603 353 HD2 HIS 42 HD2 HIS 42 -17.866 -2.009 0.226 354 HE1 HIS 42 HE1 HIS 42 -18.553 -5.959 1.691 355 H ALA 43 HN ALA 43 -13.761 -1.132 -0.688 356 HA ALA 43 HA ALA 43 -15.348 -1.964 -2.905 357 HB1 ALA 43 HB1 ALA 43 -12.853 -0.205 -2.877 358 HB2 ALA 43 HB2 ALA 43 -14.125 -0.257 -4.110 359 HB3 ALA 43 HB3 ALA 43 -14.487 0.361 -2.481 360 H LEU 44 HN LEU 44 -12.189 -2.974 -1.782 361 HA LEU 44 HA LEU 44 -11.503 -4.186 -4.408 362 HB2 LEU 44 HB2 LEU 44 -9.707 -3.211 -2.146 363 HB3 LEU 44 HB3 LEU 44 -9.155 -4.028 -3.613 364 HG LEU 44 HG LEU 44 -10.526 -1.303 -3.531 365 HD11 LEU 44 HD11 LEU 44 -7.632 -2.152 -3.882 366 HD12 LEU 44 HD12 LEU 44 -8.351 -1.015 -2.712 367 HD13 LEU 44 HD13 LEU 44 -8.254 -0.568 -4.386 368 HD21 LEU 44 HD21 LEU 44 -9.719 -1.228 -5.952 369 HD22 LEU 44 HD22 LEU 44 -11.128 -2.236 -5.621 370 HD23 LEU 44 HD23 LEU 44 -9.552 -2.998 -5.860 371 H LYS 45 HN LYS 45 -13.080 -5.044 -1.797 372 HA LYS 45 HA LYS 45 -13.387 -6.877 -0.516 373 HB2 LYS 45 HB2 LYS 45 -12.147 -8.058 -3.012 374 HB3 LYS 45 HB3 LYS 45 -12.654 -9.098 -1.678 375 HG2 LYS 45 HG2 LYS 45 -14.919 -8.109 -1.777 376 HG3 LYS 45 HG3 LYS 45 -14.456 -7.227 -3.250 377 HD2 LYS 45 HD2 LYS 45 -14.013 -9.293 -4.442 378 HD3 LYS 45 HD3 LYS 45 -14.142 -10.260 -2.965 379 HE2 LYS 45 HE2 LYS 45 -16.429 -8.687 -4.212 380 HE3 LYS 45 HE3 LYS 45 -16.142 -10.423 -4.430 381 HZ1 LYS 45 HZ1 LYS 45 -16.365 -10.693 -2.023 382 HZ2 LYS 45 HZ2 LYS 45 -17.739 -10.027 -2.689 383 HZ3 LYS 45 HZ3 LYS 45 -16.702 -9.102 -1.841 384 H LEU 46 HN LEU 46 -10.816 -5.404 -0.023 385 HA LEU 46 HA LEU 46 -9.122 -7.660 0.979 386 HB2 LEU 46 HB2 LEU 46 -8.560 -4.817 0.161 387 HB3 LEU 46 HB3 LEU 46 -7.476 -5.609 1.300 388 HG LEU 46 HG LEU 46 -8.245 -7.062 -1.248 389 HD11 LEU 46 HD11 LEU 46 -7.520 -4.948 -2.091 390 HD12 LEU 46 HD12 LEU 46 -6.157 -6.072 -2.285 391 HD13 LEU 46 HD13 LEU 46 -6.170 -4.884 -0.954 392 HD21 LEU 46 HD21 LEU 46 -6.038 -8.101 -0.975 393 HD22 LEU 46 HD22 LEU 46 -6.984 -8.301 0.515 394 HD23 LEU 46 HD23 LEU 46 -5.696 -7.076 0.420 395 H SER 47 HN SER 47 -8.064 -7.288 3.086 396 HA SER 47 HA SER 47 -10.053 -6.442 5.108 397 HB2 SER 47 HB2 SER 47 -8.567 -8.449 5.498 398 HB3 SER 47 HB3 SER 47 -7.175 -7.366 5.423 399 HG SER 47 HG SER 47 -9.078 -7.692 7.433 400 H GLU 48 HN GLU 48 -9.694 -4.648 6.377 401 HA GLU 48 HA GLU 48 -8.559 -2.238 5.513 402 HB2 GLU 48 HB2 GLU 48 -8.993 -3.449 8.281 403 HB3 GLU 48 HB3 GLU 48 -8.518 -1.785 8.030 404 HG2 GLU 48 HG2 GLU 48 -10.643 -1.490 6.620 405 HG3 GLU 48 HG3 GLU 48 -11.130 -3.099 7.174 406 H VAL 49 HN VAL 49 -7.091 -4.955 7.269 407 HA VAL 49 HA VAL 49 -4.736 -3.534 8.079 408 HB VAL 49 HB VAL 49 -5.386 -6.497 7.807 409 HG11 VAL 49 HG11 VAL 49 -3.577 -6.891 9.456 410 HG12 VAL 49 HG12 VAL 49 -2.983 -6.288 7.903 411 HG13 VAL 49 HG13 VAL 49 -3.079 -5.188 9.300 412 HG21 VAL 49 HG21 VAL 49 -5.527 -4.601 10.186 413 HG22 VAL 49 HG22 VAL 49 -6.898 -5.385 9.387 414 HG23 VAL 49 HG23 VAL 49 -5.742 -6.366 10.287 415 H GLN 50 HN GLN 50 -5.557 -5.508 5.242 416 HA GLN 50 HA GLN 50 -2.886 -5.864 4.264 417 HB2 GLN 50 HB2 GLN 50 -5.564 -5.631 2.775 418 HB3 GLN 50 HB3 GLN 50 -4.118 -6.321 2.098 419 HG2 GLN 50 HG2 GLN 50 -5.277 -7.561 4.598 420 HG3 GLN 50 HG3 GLN 50 -6.049 -7.836 3.041 421 HE21 GLN 50 HE21 GLN 50 -4.245 -9.461 5.077 422 HE22 GLN 50 HE22 GLN 50 -3.663 -10.529 3.830 423 H VAL 51 HN VAL 51 -5.413 -3.349 3.686 424 HA VAL 51 HA VAL 51 -3.813 -1.891 1.846 425 HB VAL 51 HB VAL 51 -6.031 -0.632 3.465 426 HG11 VAL 51 HG11 VAL 51 -4.841 0.760 1.834 427 HG12 VAL 51 HG12 VAL 51 -5.114 -0.453 0.554 428 HG13 VAL 51 HG13 VAL 51 -6.470 0.451 1.247 429 HG21 VAL 51 HG21 VAL 51 -7.143 -2.645 2.957 430 HG22 VAL 51 HG22 VAL 51 -7.580 -1.595 1.619 431 HG23 VAL 51 HG23 VAL 51 -6.330 -2.823 1.382 432 H LYS 52 HN LYS 52 -4.377 -1.456 5.421 433 HA LYS 52 HA LYS 52 -2.810 0.871 5.627 434 HB2 LYS 52 HB2 LYS 52 -3.046 0.704 7.878 435 HB3 LYS 52 HB3 LYS 52 -4.282 -0.435 7.396 436 HG2 LYS 52 HG2 LYS 52 -2.347 -2.205 7.719 437 HG3 LYS 52 HG3 LYS 52 -1.546 -0.915 8.556 438 HD2 LYS 52 HD2 LYS 52 -4.325 -1.247 9.523 439 HD3 LYS 52 HD3 LYS 52 -3.426 -2.770 9.584 440 HE2 LYS 52 HE2 LYS 52 -1.646 -1.764 10.879 441 HE3 LYS 52 HE3 LYS 52 -2.457 -0.187 10.826 442 HZ1 LYS 52 HZ1 LYS 52 -2.896 -1.349 12.884 443 HZ2 LYS 52 HZ2 LYS 52 -3.573 -2.629 12.085 444 HZ3 LYS 52 HZ3 LYS 52 -4.307 -1.169 12.046 445 H ILE 53 HN ILE 53 -1.734 -2.458 5.234 446 HA ILE 53 HA ILE 53 1.058 -1.767 5.719 447 HB ILE 53 HB ILE 53 -0.214 -4.324 4.636 448 HG12 ILE 53 HG12 ILE 53 0.913 -3.880 7.419 449 HG13 ILE 53 HG13 ILE 53 -0.761 -3.592 7.091 450 HG21 ILE 53 HG21 ILE 53 1.982 -5.372 5.312 451 HG22 ILE 53 HG22 ILE 53 2.150 -4.239 3.981 452 HG23 ILE 53 HG23 ILE 53 2.621 -3.750 5.626 453 HD11 ILE 53 HD11 ILE 53 0.657 -6.253 6.874 454 HD12 ILE 53 HD12 ILE 53 -0.578 -5.757 8.027 455 HD13 ILE 53 HD13 ILE 53 -1.012 -5.964 6.314 456 H TRP 54 HN TRP 54 -1.046 -2.218 2.787 457 HA TRP 54 HA TRP 54 1.141 -2.158 0.969 458 HB2 TRP 54 HB2 TRP 54 -1.345 -2.720 0.505 459 HB3 TRP 54 HB3 TRP 54 -1.588 -0.987 0.313 460 HD1 TRP 54 HD1 TRP 54 -0.257 -4.026 -1.363 461 HE1 TRP 54 HE1 TRP 54 0.786 -3.536 -3.637 462 HE3 TRP 54 HE3 TRP 54 -0.497 1.111 -1.283 463 HZ2 TRP 54 HZ2 TRP 54 1.541 -1.217 -5.175 464 HZ3 TRP 54 HZ3 TRP 54 0.328 2.410 -3.225 465 HH2 TRP 54 HH2 TRP 54 1.390 1.270 -5.143 466 H PHE 55 HN PHE 55 -0.919 0.520 2.143 467 HA PHE 55 HA PHE 55 0.284 2.549 0.603 468 HB2 PHE 55 HB2 PHE 55 -1.350 2.481 3.136 469 HB3 PHE 55 HB3 PHE 55 -0.583 3.994 2.668 470 HD1 PHE 55 HD2 PHE 55 -2.574 1.231 0.950 471 HD2 PHE 55 HD1 PHE 55 -1.929 5.474 1.480 472 HE1 PHE 55 HE2 PHE 55 -4.372 1.726 -0.650 473 HE2 PHE 55 HE1 PHE 55 -3.683 5.937 -0.150 474 HZ PHE 55 HZ PHE 55 -4.911 4.062 -1.267 475 H GLN 56 HN GLN 56 1.260 1.355 3.834 476 HA GLN 56 HA GLN 56 3.239 3.402 4.281 477 HB2 GLN 56 HB2 GLN 56 4.106 1.964 6.016 478 HB3 GLN 56 HB3 GLN 56 2.319 2.066 6.147 479 HG2 GLN 56 HG2 GLN 56 2.061 -0.035 5.107 480 HG3 GLN 56 HG3 GLN 56 3.818 -0.230 4.941 481 HE21 GLN 56 HE21 GLN 56 1.220 0.225 7.382 482 HE22 GLN 56 HE22 GLN 56 2.080 -0.687 8.610 483 H ASN 57 HN ASN 57 3.292 0.208 2.716 484 HA ASN 57 HA ASN 57 6.135 -0.039 2.498 485 HB2 ASN 57 HB2 ASN 57 3.687 -1.375 1.280 486 HB3 ASN 57 HB3 ASN 57 5.231 -1.538 0.485 487 HD21 ASN 57 HD21 ASN 57 4.134 -1.773 3.999 488 HD22 ASN 57 HD22 ASN 57 5.120 -3.187 4.260 489 H GLU 58 HN GLU 58 3.590 1.466 0.603 490 HA GLU 58 HA GLU 58 5.277 1.963 -1.695 491 HB2 GLU 58 HB2 GLU 58 2.694 1.786 -1.658 492 HB3 GLU 58 HB3 GLU 58 2.694 3.427 -1.024 493 HG2 GLU 58 HG2 GLU 58 2.408 3.563 -3.411 494 HG3 GLU 58 HG3 GLU 58 4.032 4.147 -3.053 495 H ARG 59 HN ARG 59 4.108 3.939 1.091 496 HA ARG 59 HA ARG 59 5.432 6.351 0.418 497 HB2 ARG 59 HB2 ARG 59 4.541 5.107 3.061 498 HB3 ARG 59 HB3 ARG 59 5.439 6.605 2.984 499 HG2 ARG 59 HG2 ARG 59 3.499 7.221 1.177 500 HG3 ARG 59 HG3 ARG 59 2.609 6.042 2.150 501 HD2 ARG 59 HD2 ARG 59 3.874 8.664 3.034 502 HD3 ARG 59 HD3 ARG 59 2.168 8.309 2.901 503 HE ARG 59 HE ARG 59 2.271 6.849 4.805 504 HH11 ARG 59 HH11 ARG 59 5.238 8.862 4.363 505 HH12 ARG 59 HH12 ARG 59 5.789 8.482 5.972 506 HH21 ARG 59 HH21 ARG 59 2.892 6.882 7.079 507 HH22 ARG 59 HH22 ARG 59 4.318 7.770 7.540 508 H ALA 60 HN ALA 60 6.814 3.394 1.456 509 HA ALA 60 HA ALA 60 9.428 4.741 1.959 510 HB1 ALA 60 HB1 ALA 60 8.681 2.946 3.497 511 HB2 ALA 60 HB2 ALA 60 8.817 1.779 2.159 512 HB3 ALA 60 HB3 ALA 60 10.255 2.677 2.718 513 H LYS 61 HN LYS 61 8.046 2.265 -0.359 514 HA LYS 61 HA LYS 61 10.558 1.967 -1.728 515 HB2 LYS 61 HB2 LYS 61 9.470 0.657 -3.301 516 HB3 LYS 61 HB3 LYS 61 8.561 0.414 -1.814 517 HG2 LYS 61 HG2 LYS 61 6.858 0.670 -3.179 518 HG3 LYS 61 HG3 LYS 61 7.048 2.347 -2.752 519 HD2 LYS 61 HD2 LYS 61 6.714 2.548 -4.994 520 HD3 LYS 61 HD3 LYS 61 8.463 2.528 -5.002 521 HE2 LYS 61 HE2 LYS 61 7.063 -0.138 -5.213 522 HE3 LYS 61 HE3 LYS 61 6.846 0.981 -6.553 523 HZ1 LYS 61 HZ1 LYS 61 9.163 1.091 -6.905 524 HZ2 LYS 61 HZ2 LYS 61 8.756 -0.482 -6.881 525 HZ3 LYS 61 HZ3 LYS 61 9.527 0.203 -5.589 526 H TRP 62 HN TRP 62 7.993 4.376 -2.079 527 HA TRP 62 HA TRP 62 9.154 5.477 -4.494 528 HB2 TRP 62 HB2 TRP 62 6.718 5.678 -3.503 529 HB3 TRP 62 HB3 TRP 62 7.383 7.036 -2.626 530 HD1 TRP 62 HD1 TRP 62 6.125 5.883 -5.953 531 HE1 TRP 62 HE1 TRP 62 6.467 7.647 -7.824 532 HE3 TRP 62 HE3 TRP 62 9.062 9.212 -3.449 533 HZ2 TRP 62 HZ2 TRP 62 7.976 10.010 -8.238 534 HZ3 TRP 62 HZ3 TRP 62 10.094 11.131 -4.674 535 HH2 TRP 62 HH2 TRP 62 9.606 11.489 -7.070 536 H LYS 63 HN LYS 63 9.274 6.304 -0.956 537 HA LYS 63 HA LYS 63 11.071 8.492 -1.440 538 HB2 LYS 63 HB2 LYS 63 10.311 7.018 1.125 539 HB3 LYS 63 HB3 LYS 63 11.492 8.340 1.080 540 HG2 LYS 63 HG2 LYS 63 9.614 9.641 -0.293 541 HG3 LYS 63 HG3 LYS 63 8.536 8.458 0.425 542 HD2 LYS 63 HD2 LYS 63 8.439 10.378 1.778 543 HD3 LYS 63 HD3 LYS 63 9.429 9.235 2.711 544 HE2 LYS 63 HE2 LYS 63 11.431 10.433 2.222 545 HE3 LYS 63 HE3 LYS 63 10.695 11.276 0.839 546 HZ1 LYS 63 HZ1 LYS 63 9.467 12.660 2.321 547 HZ2 LYS 63 HZ2 LYS 63 11.000 12.669 2.874 548 HZ3 LYS 63 HZ3 LYS 63 9.880 11.780 3.632 549 H ARG 64 HN ARG 64 11.845 4.976 -1.303 550 HA ARG 64 HA ARG 64 14.519 5.338 -0.928 551 HB2 ARG 64 HB2 ARG 64 13.084 3.277 -0.750 552 HB3 ARG 64 HB3 ARG 64 12.904 3.270 -2.525 553 HG2 ARG 64 HG2 ARG 64 15.149 2.950 -2.851 554 HG3 ARG 64 HG3 ARG 64 15.538 3.422 -1.172 555 HD2 ARG 64 HD2 ARG 64 15.685 1.272 -0.609 556 HD3 ARG 64 HD3 ARG 64 13.978 1.034 -0.979 557 HE ARG 64 HE ARG 64 16.309 0.147 -2.491 558 HH11 ARG 64 HH11 ARG 64 12.858 0.583 -2.719 559 HH12 ARG 64 HH12 ARG 64 12.815 0.696 -4.463 560 HH21 ARG 64 HH21 ARG 64 16.259 -0.172 -4.789 561 HH22 ARG 64 HH22 ARG 64 14.760 -0.001 -5.657 562 H ILE 65 HN ILE 65 12.635 6.355 -3.559 563 HA ILE 65 HA ILE 65 14.806 6.132 -5.555 564 HB ILE 65 HB ILE 65 11.982 7.235 -5.843 565 HG12 ILE 65 HG12 ILE 65 13.028 4.522 -6.747 566 HG13 ILE 65 HG13 ILE 65 12.205 4.740 -5.214 567 HG21 ILE 65 HG21 ILE 65 14.032 6.442 -7.963 568 HG22 ILE 65 HG22 ILE 65 12.356 6.928 -8.294 569 HG23 ILE 65 HG23 ILE 65 13.480 8.080 -7.604 570 HD11 ILE 65 HD11 ILE 65 10.220 5.671 -6.465 571 HD12 ILE 65 HD12 ILE 65 11.017 5.136 -7.962 572 HD13 ILE 65 HD13 ILE 65 10.580 3.952 -6.718 573 H LYS 66 HN LYS 66 13.214 8.624 -3.645 574 HA LYS 66 HA LYS 66 13.969 10.874 -5.138 575 HB2 LYS 66 HB2 LYS 66 13.298 12.237 -3.192 576 HB3 LYS 66 HB3 LYS 66 12.131 11.108 -3.867 577 HG2 LYS 66 HG2 LYS 66 11.606 10.847 -1.736 578 HG3 LYS 66 HG3 LYS 66 12.713 9.526 -2.033 579 HD2 LYS 66 HD2 LYS 66 13.255 10.320 0.110 580 HD3 LYS 66 HD3 LYS 66 14.509 10.923 -0.949 581 HE2 LYS 66 HE2 LYS 66 13.103 13.091 -1.123 582 HE3 LYS 66 HE3 LYS 66 12.153 12.446 0.221 583 HZ1 LYS 66 HZ1 LYS 66 13.838 13.884 1.066 584 HZ2 LYS 66 HZ2 LYS 66 14.994 13.160 0.163 585 HZ3 LYS 66 HZ3 LYS 66 14.383 12.351 1.436 586 H ALA 67 HN ALA 67 16.021 10.343 -5.694 587 HA ALA 67 HA ALA 67 18.342 10.084 -4.334 588 HB1 ALA 67 HB1 ALA 67 17.977 11.941 -6.740 589 HB2 ALA 67 HB2 ALA 67 19.521 11.287 -6.162 590 HB3 ALA 67 HB3 ALA 67 18.272 10.186 -6.782 591 H GLY 68 HN GLY 68 17.219 13.256 -5.327 592 HA2 GLY 68 HA1 GLY 68 17.542 14.597 -2.781 593 HA3 GLY 68 HA2 GLY 68 18.834 14.944 -3.908 594 H ASN 69 HN ASN 69 17.799 15.078 -6.318 595 HA ASN 69 HA ASN 69 15.542 16.989 -6.296 596 HB2 ASN 69 HB2 ASN 69 17.844 18.010 -6.082 597 HB3 ASN 69 HB3 ASN 69 18.228 17.330 -7.641 598 HD21 ASN 69 HD21 ASN 69 15.149 19.047 -6.602 599 HD22 ASN 69 HD22 ASN 69 15.380 20.289 -7.810 600 H VAL 70 HN VAL 70 15.396 14.281 -7.144 601 HA VAL 70 HA VAL 70 14.689 12.942 -8.688 602 HB VAL 70 HB VAL 70 12.963 14.697 -8.534 603 HG11 VAL 70 HG11 VAL 70 12.333 15.804 -10.758 604 HG12 VAL 70 HG12 VAL 70 13.600 16.562 -9.820 605 HG13 VAL 70 HG13 VAL 70 14.020 15.569 -11.235 606 HG21 VAL 70 HG21 VAL 70 12.598 12.430 -9.497 607 HG22 VAL 70 HG22 VAL 70 11.476 13.671 -10.082 608 HG23 VAL 70 HG23 VAL 70 12.799 13.128 -11.113 609 H SER 71 HN SER 71 17.427 14.418 -9.532 610 HA SER 71 HA SER 71 17.846 13.575 -12.218 611 HB2 SER 71 HB2 SER 71 20.179 13.043 -11.402 612 HB3 SER 71 HB3 SER 71 19.653 14.698 -11.014 613 HG SER 71 HG SER 71 19.126 12.539 -9.275 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 21.082 -5.173 3.412 2 HA2 GLY 1 HA1 GLY 1 20.135 -5.974 5.499 3 HA3 GLY 1 HA2 GLY 1 18.543 -5.446 4.931 4 H ALA 2 HN ALA 2 21.294 -7.579 4.044 5 HA ALA 2 HA ALA 2 19.474 -9.340 2.505 6 HB1 ALA 2 HB1 ALA 2 21.296 -8.209 1.286 7 HB2 ALA 2 HB2 ALA 2 22.487 -8.969 2.376 8 HB3 ALA 2 HB3 ALA 2 21.478 -9.979 1.322 9 HA PRO 3 HA PRO 3 20.546 -11.497 6.472 10 HB2 PRO 3 HB2 PRO 3 18.374 -13.145 6.623 11 HB3 PRO 3 HB3 PRO 3 18.350 -11.438 7.132 12 HG2 PRO 3 HG2 PRO 3 17.363 -12.586 4.516 13 HG3 PRO 3 HG3 PRO 3 16.557 -11.409 5.594 14 HD2 PRO 3 HD2 PRO 3 17.978 -10.621 3.409 15 HD3 PRO 3 HD3 PRO 3 17.969 -9.663 4.917 16 H GLY 4 HN GLY 4 19.055 -13.169 3.638 17 HA2 GLY 4 HA1 GLY 4 21.430 -14.700 3.073 18 HA3 GLY 4 HA2 GLY 4 20.104 -15.672 3.754 19 H GLY 5 HN GLY 5 20.817 -13.177 1.207 20 HA2 GLY 5 HA1 GLY 5 20.164 -13.128 -0.937 21 HA3 GLY 5 HA2 GLY 5 19.502 -14.759 -0.739 22 H LYS 6 HN LYS 6 17.965 -13.987 -2.217 23 HA LYS 6 HA LYS 6 16.131 -11.876 -1.819 24 HB2 LYS 6 HB2 LYS 6 14.964 -12.801 -3.712 25 HB3 LYS 6 HB3 LYS 6 16.684 -13.077 -3.970 26 HG2 LYS 6 HG2 LYS 6 16.139 -15.440 -2.795 27 HG3 LYS 6 HG3 LYS 6 14.488 -15.029 -3.259 28 HD2 LYS 6 HD2 LYS 6 15.294 -16.371 -5.004 29 HD3 LYS 6 HD3 LYS 6 15.406 -14.723 -5.654 30 HE2 LYS 6 HE2 LYS 6 17.821 -14.675 -5.048 31 HE3 LYS 6 HE3 LYS 6 17.694 -16.292 -4.350 32 HZ1 LYS 6 HZ1 LYS 6 17.331 -17.222 -6.411 33 HZ2 LYS 6 HZ2 LYS 6 18.562 -16.163 -6.699 34 HZ3 LYS 6 HZ3 LYS 6 17.055 -15.772 -7.176 35 H SER 7 HN SER 7 13.688 -12.156 -1.591 36 HA SER 7 HA SER 7 12.774 -14.445 -0.018 37 HB2 SER 7 HB2 SER 7 13.267 -11.683 1.152 38 HB3 SER 7 HB3 SER 7 11.977 -12.693 1.781 39 HG SER 7 HG SER 7 14.604 -13.708 1.454 40 H ARG 8 HN ARG 8 10.502 -14.333 0.351 41 HA ARG 8 HA ARG 8 8.972 -12.693 -1.620 42 HB2 ARG 8 HB2 ARG 8 8.404 -15.173 0.038 43 HB3 ARG 8 HB3 ARG 8 7.060 -14.183 -0.507 44 HG2 ARG 8 HG2 ARG 8 9.136 -15.355 -2.410 45 HG3 ARG 8 HG3 ARG 8 7.598 -16.125 -2.009 46 HD2 ARG 8 HD2 ARG 8 6.448 -13.971 -2.732 47 HD3 ARG 8 HD3 ARG 8 7.990 -13.454 -3.415 48 HE ARG 8 HE ARG 8 6.127 -15.509 -4.367 49 HH11 ARG 8 HH11 ARG 8 9.357 -13.979 -4.947 50 HH12 ARG 8 HH12 ARG 8 9.331 -14.535 -6.609 51 HH21 ARG 8 HH21 ARG 8 6.258 -16.158 -6.459 52 HH22 ARG 8 HH22 ARG 8 7.656 -15.722 -7.443 53 H ARG 9 HN ARG 9 7.028 -11.634 -0.741 54 HA ARG 9 HA ARG 9 7.235 -10.926 2.129 55 HB2 ARG 9 HB2 ARG 9 7.694 -9.160 -0.168 56 HB3 ARG 9 HB3 ARG 9 6.259 -8.635 0.719 57 HG2 ARG 9 HG2 ARG 9 7.458 -8.584 2.802 58 HG3 ARG 9 HG3 ARG 9 8.890 -9.329 2.080 59 HD2 ARG 9 HD2 ARG 9 7.785 -6.570 1.437 60 HD3 ARG 9 HD3 ARG 9 9.192 -6.891 2.453 61 HE ARG 9 HE ARG 9 8.989 -6.846 -0.411 62 HH11 ARG 9 HH11 ARG 9 10.929 -8.338 2.232 63 HH12 ARG 9 HH12 ARG 9 12.269 -8.689 1.163 64 HH21 ARG 9 HH21 ARG 9 10.877 -7.393 -1.753 65 HH22 ARG 9 HH22 ARG 9 12.241 -8.132 -0.956 66 H ARG 10 HN ARG 10 5.304 -10.703 3.147 67 HA ARG 10 HA ARG 10 3.027 -11.917 1.812 68 HB2 ARG 10 HB2 ARG 10 3.775 -12.380 4.184 69 HB3 ARG 10 HB3 ARG 10 3.198 -10.769 4.618 70 HG2 ARG 10 HG2 ARG 10 0.907 -11.386 3.930 71 HG3 ARG 10 HG3 ARG 10 1.476 -12.962 3.341 72 HD2 ARG 10 HD2 ARG 10 2.147 -13.660 5.514 73 HD3 ARG 10 HD3 ARG 10 1.888 -12.055 6.219 74 HE ARG 10 HE ARG 10 -0.595 -12.503 5.488 75 HH11 ARG 10 HH11 ARG 10 1.629 -14.812 7.100 76 HH12 ARG 10 HH12 ARG 10 0.297 -15.705 7.781 77 HH21 ARG 10 HH21 ARG 10 -2.199 -13.710 6.293 78 HH22 ARG 10 HH22 ARG 10 -1.957 -15.181 7.188 79 H ARG 11 HN ARG 11 1.788 -10.692 0.560 80 HA ARG 11 HA ARG 11 1.078 -7.951 1.449 81 HB2 ARG 11 HB2 ARG 11 1.080 -7.062 -0.768 82 HB3 ARG 11 HB3 ARG 11 2.685 -7.567 -0.317 83 HG2 ARG 11 HG2 ARG 11 1.010 -9.522 -1.896 84 HG3 ARG 11 HG3 ARG 11 1.573 -8.071 -2.725 85 HD2 ARG 11 HD2 ARG 11 3.892 -8.570 -2.258 86 HD3 ARG 11 HD3 ARG 11 3.429 -9.899 -1.201 87 HE ARG 11 HE ARG 11 3.217 -9.794 -4.168 88 HH11 ARG 11 HH11 ARG 11 3.692 -11.873 -1.277 89 HH12 ARG 11 HH12 ARG 11 3.099 -13.293 -2.112 90 HH21 ARG 11 HH21 ARG 11 2.693 -11.801 -5.250 91 HH22 ARG 11 HH22 ARG 11 2.675 -13.280 -4.337 92 H THR 12 HN THR 12 -0.045 -10.822 1.411 93 HA THR 12 HA THR 12 -2.087 -11.607 1.774 94 HB THR 12 HB THR 12 -3.175 -8.875 1.268 95 HG1 THR 12 HG1 THR 12 -2.403 -8.190 3.079 96 HG21 THR 12 HG21 THR 12 -4.015 -11.099 3.165 97 HG22 THR 12 HG22 THR 12 -4.952 -10.431 1.804 98 HG23 THR 12 HG23 THR 12 -4.640 -9.441 3.229 99 H ALA 13 HN ALA 13 -4.274 -12.107 0.697 100 HA ALA 13 HA ALA 13 -3.845 -12.620 -2.127 101 HB1 ALA 13 HB1 ALA 13 -5.993 -13.334 -0.115 102 HB2 ALA 13 HB2 ALA 13 -6.188 -13.653 -1.850 103 HB3 ALA 13 HB3 ALA 13 -4.847 -14.388 -0.961 104 H PHE 14 HN PHE 14 -3.622 -10.439 -2.779 105 HA PHE 14 HA PHE 14 -6.153 -8.944 -3.249 106 HB2 PHE 14 HB2 PHE 14 -3.237 -8.094 -3.076 107 HB3 PHE 14 HB3 PHE 14 -4.419 -7.160 -3.964 108 HD1 PHE 14 HD1 PHE 14 -4.708 -8.809 -0.530 109 HD2 PHE 14 HD2 PHE 14 -4.786 -5.186 -2.854 110 HE1 PHE 14 HE1 PHE 14 -5.270 -7.538 1.492 111 HE2 PHE 14 HE2 PHE 14 -5.379 -3.915 -0.812 112 HZ PHE 14 HZ PHE 14 -5.573 -5.064 1.358 113 H THR 15 HN THR 15 -6.850 -9.055 -5.390 114 HA THR 15 HA THR 15 -5.134 -10.323 -7.382 115 HB THR 15 HB THR 15 -7.018 -9.923 -8.895 116 HG1 THR 15 HG1 THR 15 -8.987 -9.383 -8.048 117 HG21 THR 15 HG21 THR 15 -7.662 -11.326 -6.213 118 HG22 THR 15 HG22 THR 15 -6.717 -12.043 -7.531 119 HG23 THR 15 HG23 THR 15 -8.434 -11.711 -7.753 120 H SER 16 HN SER 16 -5.160 -9.229 -9.581 121 HA SER 16 HA SER 16 -3.363 -7.140 -9.629 122 HB2 SER 16 HB2 SER 16 -4.461 -7.179 -12.024 123 HB3 SER 16 HB3 SER 16 -3.373 -8.457 -11.402 124 HG SER 16 HG SER 16 -6.057 -8.621 -12.106 125 H GLU 17 HN GLU 17 -6.957 -7.073 -9.862 126 HA GLU 17 HA GLU 17 -7.227 -4.425 -10.803 127 HB2 GLU 17 HB2 GLU 17 -8.830 -6.354 -10.900 128 HB3 GLU 17 HB3 GLU 17 -8.986 -6.292 -9.133 129 HG2 GLU 17 HG2 GLU 17 -9.862 -4.064 -9.249 130 HG3 GLU 17 HG3 GLU 17 -9.580 -3.947 -11.000 131 H GLN 18 HN GLN 18 -7.306 -5.989 -7.602 132 HA GLN 18 HA GLN 18 -7.773 -3.581 -6.150 133 HB2 GLN 18 HB2 GLN 18 -6.432 -6.059 -4.972 134 HB3 GLN 18 HB3 GLN 18 -7.558 -4.945 -4.188 135 HG2 GLN 18 HG2 GLN 18 -9.390 -5.869 -5.747 136 HG3 GLN 18 HG3 GLN 18 -8.202 -6.983 -6.345 137 HE21 GLN 18 HE21 GLN 18 -10.238 -6.347 -3.387 138 HE22 GLN 18 HE22 GLN 18 -9.954 -7.917 -2.769 139 H LEU 19 HN LEU 19 -4.845 -5.224 -7.376 140 HA LEU 19 HA LEU 19 -2.978 -3.616 -5.794 141 HB2 LEU 19 HB2 LEU 19 -2.789 -5.321 -8.332 142 HB3 LEU 19 HB3 LEU 19 -1.406 -4.441 -7.701 143 HG LEU 19 HG LEU 19 -2.906 -6.522 -6.048 144 HD11 LEU 19 HD11 LEU 19 -0.518 -6.755 -7.931 145 HD12 LEU 19 HD12 LEU 19 -2.033 -7.683 -7.953 146 HD13 LEU 19 HD13 LEU 19 -0.859 -7.922 -6.651 147 HD21 LEU 19 HD21 LEU 19 -1.534 -4.920 -4.747 148 HD22 LEU 19 HD22 LEU 19 -0.135 -5.313 -5.778 149 HD23 LEU 19 HD23 LEU 19 -0.854 -6.555 -4.717 150 H LEU 20 HN LEU 20 -5.024 -2.808 -8.463 151 HA LEU 20 HA LEU 20 -3.076 -0.964 -9.662 152 HB2 LEU 20 HB2 LEU 20 -5.112 -2.425 -10.720 153 HB3 LEU 20 HB3 LEU 20 -5.994 -0.940 -10.385 154 HG LEU 20 HG LEU 20 -3.442 -1.231 -12.031 155 HD11 LEU 20 HD11 LEU 20 -5.615 -2.164 -12.981 156 HD12 LEU 20 HD12 LEU 20 -4.801 -0.934 -13.966 157 HD13 LEU 20 HD13 LEU 20 -6.230 -0.509 -13.000 158 HD21 LEU 20 HD21 LEU 20 -3.373 0.989 -11.111 159 HD22 LEU 20 HD22 LEU 20 -5.104 1.233 -11.392 160 HD23 LEU 20 HD23 LEU 20 -3.975 1.156 -12.760 161 H GLU 21 HN GLU 21 -6.256 -0.843 -8.036 162 HA GLU 21 HA GLU 21 -6.463 1.950 -8.022 163 HB2 GLU 21 HB2 GLU 21 -7.797 0.091 -6.039 164 HB3 GLU 21 HB3 GLU 21 -8.325 1.688 -6.574 165 HG2 GLU 21 HG2 GLU 21 -8.152 0.333 -8.983 166 HG3 GLU 21 HG3 GLU 21 -8.520 -0.995 -7.933 167 H LEU 22 HN LEU 22 -5.108 -0.259 -5.731 168 HA LEU 22 HA LEU 22 -4.449 1.369 -3.493 169 HB2 LEU 22 HB2 LEU 22 -3.575 -1.182 -4.796 170 HB3 LEU 22 HB3 LEU 22 -2.315 -0.427 -3.891 171 HG LEU 22 HG LEU 22 -3.503 -0.594 -1.800 172 HD11 LEU 22 HD11 LEU 22 -5.821 -1.546 -1.693 173 HD12 LEU 22 HD12 LEU 22 -5.921 -1.316 -3.455 174 HD13 LEU 22 HD13 LEU 22 -5.744 0.081 -2.388 175 HD21 LEU 22 HD21 LEU 22 -4.238 -3.112 -3.297 176 HD22 LEU 22 HD22 LEU 22 -3.604 -2.938 -1.633 177 HD23 LEU 22 HD23 LEU 22 -2.545 -2.690 -3.024 178 H ARG 23 HN ARG 23 -2.680 0.898 -6.610 179 HA ARG 23 HA ARG 23 -0.378 2.335 -5.494 180 HB2 ARG 23 HB2 ARG 23 -0.966 1.063 -8.201 181 HB3 ARG 23 HB3 ARG 23 0.552 1.891 -7.804 182 HG2 ARG 23 HG2 ARG 23 1.053 0.256 -6.041 183 HG3 ARG 23 HG3 ARG 23 -0.528 -0.486 -6.224 184 HD2 ARG 23 HD2 ARG 23 1.123 -1.861 -7.318 185 HD3 ARG 23 HD3 ARG 23 0.033 -1.182 -8.535 186 HE ARG 23 HE ARG 23 1.970 0.654 -8.614 187 HH11 ARG 23 HH11 ARG 23 2.348 -2.933 -8.649 188 HH12 ARG 23 HH12 ARG 23 3.892 -2.793 -9.445 189 HH21 ARG 23 HH21 ARG 23 3.885 0.711 -9.628 190 HH22 ARG 23 HH22 ARG 23 4.788 -0.721 -10.045 191 H LYS 24 HN LYS 24 -3.227 2.949 -7.518 192 HA LYS 24 HA LYS 24 -2.072 5.383 -8.506 193 HB2 LYS 24 HB2 LYS 24 -4.093 5.995 -9.547 194 HB3 LYS 24 HB3 LYS 24 -3.756 4.294 -9.804 195 HG2 LYS 24 HG2 LYS 24 -6.024 4.317 -9.548 196 HG3 LYS 24 HG3 LYS 24 -5.443 3.802 -7.982 197 HD2 LYS 24 HD2 LYS 24 -5.829 6.128 -7.109 198 HD3 LYS 24 HD3 LYS 24 -6.432 6.608 -8.689 199 HE2 LYS 24 HE2 LYS 24 -7.657 4.177 -7.366 200 HE3 LYS 24 HE3 LYS 24 -8.011 5.747 -6.653 201 HZ1 LYS 24 HZ1 LYS 24 -8.498 5.182 -9.512 202 HZ2 LYS 24 HZ2 LYS 24 -8.961 6.502 -8.633 203 HZ3 LYS 24 HZ3 LYS 24 -9.623 5.026 -8.316 204 H GLU 25 HN GLU 25 -4.012 4.549 -5.636 205 HA GLU 25 HA GLU 25 -4.317 7.329 -4.898 206 HB2 GLU 25 HB2 GLU 25 -4.577 4.722 -3.381 207 HB3 GLU 25 HB3 GLU 25 -4.761 6.275 -2.567 208 HG2 GLU 25 HG2 GLU 25 -6.425 5.457 -4.981 209 HG3 GLU 25 HG3 GLU 25 -6.886 5.145 -3.315 210 H PHE 26 HN PHE 26 -1.782 4.888 -4.251 211 HA PHE 26 HA PHE 26 -0.571 6.296 -2.159 212 HB2 PHE 26 HB2 PHE 26 -0.026 3.989 -2.709 213 HB3 PHE 26 HB3 PHE 26 0.766 4.485 -4.203 214 HD1 PHE 26 HD1 PHE 26 0.951 4.607 -0.483 215 HD2 PHE 26 HD2 PHE 26 2.993 5.497 -4.173 216 HE1 PHE 26 HE1 PHE 26 3.089 4.803 0.747 217 HE2 PHE 26 HE2 PHE 26 5.142 5.666 -2.942 218 HZ PHE 26 HZ PHE 26 5.194 5.288 -0.486 219 H HIS 27 HN HIS 27 0.122 6.694 -5.673 220 HA HIS 27 HA HIS 27 2.156 8.709 -5.053 221 HB2 HIS 27 HB2 HIS 27 2.716 8.847 -7.264 222 HB3 HIS 27 HB3 HIS 27 2.381 7.160 -6.982 223 HD1 HIS 27 HD1 HIS 27 2.051 9.325 -9.715 224 HD2 HIS 27 HD2 HIS 27 -0.561 6.736 -7.681 225 HE1 HIS 27 HE1 HIS 27 0.279 8.642 -11.398 226 H CYS 28 HN CYS 28 -1.033 8.877 -4.701 227 HA CYS 28 HA CYS 28 -1.356 11.628 -5.743 228 HB2 CYS 28 HB2 CYS 28 -2.850 9.739 -6.558 229 HB3 CYS 28 HB3 CYS 28 -3.528 9.660 -4.917 230 HG CYS 28 HG CYS 28 -4.489 12.043 -4.824 231 H LYS 29 HN LYS 29 -2.000 9.504 -2.881 232 HA LYS 29 HA LYS 29 -2.697 11.913 -1.295 233 HB2 LYS 29 HB2 LYS 29 -3.357 8.952 -1.039 234 HB3 LYS 29 HB3 LYS 29 -3.687 10.131 0.234 235 HG2 LYS 29 HG2 LYS 29 -5.067 11.465 -1.310 236 HG3 LYS 29 HG3 LYS 29 -4.777 10.287 -2.605 237 HD2 LYS 29 HD2 LYS 29 -5.943 8.551 -1.399 238 HD3 LYS 29 HD3 LYS 29 -6.005 9.511 0.080 239 HE2 LYS 29 HE2 LYS 29 -8.186 9.490 -0.987 240 HE3 LYS 29 HE3 LYS 29 -7.523 11.132 -0.945 241 HZ1 LYS 29 HZ1 LYS 29 -7.385 9.374 -3.322 242 HZ2 LYS 29 HZ2 LYS 29 -7.009 10.973 -3.246 243 HZ3 LYS 29 HZ3 LYS 29 -8.571 10.484 -3.077 244 H LYS 30 HN LYS 30 -1.563 12.515 0.421 245 HA LYS 30 HA LYS 30 0.883 11.313 1.291 246 HB2 LYS 30 HB2 LYS 30 0.680 12.884 3.206 247 HB3 LYS 30 HB3 LYS 30 0.519 13.651 1.633 248 HG2 LYS 30 HG2 LYS 30 -2.151 12.924 2.509 249 HG3 LYS 30 HG3 LYS 30 -1.331 13.645 3.868 250 HD2 LYS 30 HD2 LYS 30 -1.207 15.049 1.200 251 HD3 LYS 30 HD3 LYS 30 -2.648 15.195 2.224 252 HE2 LYS 30 HE2 LYS 30 -1.494 16.175 4.020 253 HE3 LYS 30 HE3 LYS 30 0.083 15.643 3.432 254 HZ1 LYS 30 HZ1 LYS 30 -0.345 17.998 3.111 255 HZ2 LYS 30 HZ2 LYS 30 -1.562 17.685 2.063 256 HZ3 LYS 30 HZ3 LYS 30 0.019 17.256 1.721 257 H TYR 31 HN TYR 31 -2.520 10.914 2.431 258 HA TYR 31 HA TYR 31 -1.912 8.334 3.376 259 HB2 TYR 31 HB2 TYR 31 -2.632 8.620 5.738 260 HB3 TYR 31 HB3 TYR 31 -1.140 9.486 5.420 261 HD1 TYR 31 HD1 TYR 31 -4.763 9.886 6.147 262 HD2 TYR 31 HD2 TYR 31 -1.036 11.928 5.469 263 HE1 TYR 31 HE1 TYR 31 -5.810 11.973 6.908 264 HE2 TYR 31 HE2 TYR 31 -2.104 14.058 6.134 265 HH TYR 31 HH TYR 31 -5.494 14.282 7.251 266 H LEU 32 HN LEU 32 -4.008 7.241 4.005 267 HA LEU 32 HA LEU 32 -6.416 8.400 2.829 268 HB2 LEU 32 HB2 LEU 32 -5.556 5.766 4.112 269 HB3 LEU 32 HB3 LEU 32 -7.261 6.138 3.886 270 HG LEU 32 HG LEU 32 -7.109 6.229 1.573 271 HD11 LEU 32 HD11 LEU 32 -4.111 5.929 1.717 272 HD12 LEU 32 HD12 LEU 32 -5.012 7.367 1.155 273 HD13 LEU 32 HD13 LEU 32 -5.093 5.870 0.233 274 HD21 LEU 32 HD21 LEU 32 -6.349 3.992 0.934 275 HD22 LEU 32 HD22 LEU 32 -7.126 3.920 2.508 276 HD23 LEU 32 HD23 LEU 32 -5.358 3.877 2.393 277 H SER 33 HN SER 33 -7.707 9.730 4.053 278 HA SER 33 HA SER 33 -7.908 9.855 6.950 279 HB2 SER 33 HB2 SER 33 -9.858 10.502 4.687 280 HB3 SER 33 HB3 SER 33 -10.199 10.808 6.391 281 HG SER 33 HG SER 33 -9.441 12.617 5.372 282 H LEU 34 HN LEU 34 -10.229 9.180 7.964 283 HA LEU 34 HA LEU 34 -10.466 6.367 7.974 284 HB2 LEU 34 HB2 LEU 34 -12.171 8.705 8.870 285 HB3 LEU 34 HB3 LEU 34 -12.915 7.121 8.823 286 HG LEU 34 HG LEU 34 -11.985 7.846 11.016 287 HD11 LEU 34 HD11 LEU 34 -11.135 5.604 11.613 288 HD12 LEU 34 HD12 LEU 34 -10.992 5.211 9.876 289 HD13 LEU 34 HD13 LEU 34 -12.574 5.530 10.595 290 HD21 LEU 34 HD21 LEU 34 -9.256 7.187 9.834 291 HD22 LEU 34 HD22 LEU 34 -9.624 7.589 11.521 292 HD23 LEU 34 HD23 LEU 34 -9.838 8.814 10.274 293 H THR 35 HN THR 35 -12.632 8.783 6.406 294 HA THR 35 HA THR 35 -14.287 6.961 5.117 295 HB THR 35 HB THR 35 -13.455 9.732 4.179 296 HG1 THR 35 HG1 THR 35 -15.209 8.915 6.248 297 HG21 THR 35 HG21 THR 35 -16.150 8.278 4.076 298 HG22 THR 35 HG22 THR 35 -15.088 8.572 2.683 299 HG23 THR 35 HG23 THR 35 -15.825 9.939 3.532 300 H GLU 36 HN GLU 36 -11.279 8.535 3.849 301 HA GLU 36 HA GLU 36 -11.273 7.350 1.294 302 HB2 GLU 36 HB2 GLU 36 -9.144 8.347 3.159 303 HB3 GLU 36 HB3 GLU 36 -8.754 7.831 1.546 304 HG2 GLU 36 HG2 GLU 36 -10.023 9.609 0.560 305 HG3 GLU 36 HG3 GLU 36 -10.893 9.946 2.046 306 H ARG 37 HN ARG 37 -9.847 6.209 4.327 307 HA ARG 37 HA ARG 37 -8.918 3.679 3.381 308 HB2 ARG 37 HB2 ARG 37 -8.467 5.095 5.594 309 HB3 ARG 37 HB3 ARG 37 -9.832 4.190 6.202 310 HG2 ARG 37 HG2 ARG 37 -8.132 2.230 5.073 311 HG3 ARG 37 HG3 ARG 37 -7.011 3.372 5.728 312 HD2 ARG 37 HD2 ARG 37 -9.371 2.200 7.260 313 HD3 ARG 37 HD3 ARG 37 -7.701 1.624 7.414 314 HE ARG 37 HE ARG 37 -7.463 4.248 8.039 315 HH11 ARG 37 HH11 ARG 37 -10.154 2.091 9.134 316 HH12 ARG 37 HH12 ARG 37 -10.147 2.741 10.703 317 HH21 ARG 37 HH21 ARG 37 -7.671 5.192 10.185 318 HH22 ARG 37 HH22 ARG 37 -8.771 4.491 11.299 319 H SER 38 HN SER 38 -12.052 4.697 3.721 320 HA SER 38 HA SER 38 -13.161 1.942 4.037 321 HB2 SER 38 HB2 SER 38 -13.933 3.480 5.696 322 HB3 SER 38 HB3 SER 38 -14.235 4.740 4.513 323 HG SER 38 HG SER 38 -16.131 4.057 4.731 324 H GLN 39 HN GLN 39 -12.996 4.778 1.822 325 HA GLN 39 HA GLN 39 -14.655 3.721 -0.253 326 HB2 GLN 39 HB2 GLN 39 -12.265 5.660 -0.249 327 HB3 GLN 39 HB3 GLN 39 -13.244 5.344 -1.681 328 HG2 GLN 39 HG2 GLN 39 -15.228 6.201 -0.602 329 HG3 GLN 39 HG3 GLN 39 -14.419 6.395 0.922 330 HE21 GLN 39 HE21 GLN 39 -11.880 7.766 -0.409 331 HE22 GLN 39 HE22 GLN 39 -12.541 9.357 -0.572 332 H ILE 40 HN ILE 40 -11.056 3.725 0.078 333 HA ILE 40 HA ILE 40 -10.678 1.881 -2.063 334 HB ILE 40 HB ILE 40 -8.797 2.654 0.202 335 HG12 ILE 40 HG12 ILE 40 -9.468 4.707 -0.759 336 HG13 ILE 40 HG13 ILE 40 -7.899 4.338 -1.452 337 HG21 ILE 40 HG21 ILE 40 -6.943 2.285 -1.428 338 HG22 ILE 40 HG22 ILE 40 -7.808 0.793 -1.054 339 HG23 ILE 40 HG23 ILE 40 -8.118 1.609 -2.581 340 HD11 ILE 40 HD11 ILE 40 -10.631 3.990 -2.731 341 HD12 ILE 40 HD12 ILE 40 -9.374 5.144 -3.202 342 HD13 ILE 40 HD13 ILE 40 -9.130 3.419 -3.495 343 H ALA 41 HN ALA 41 -11.960 1.294 0.825 344 HA ALA 41 HA ALA 41 -11.020 -1.551 1.141 345 HB1 ALA 41 HB1 ALA 41 -12.407 -1.631 3.114 346 HB2 ALA 41 HB2 ALA 41 -11.360 -0.209 3.195 347 HB3 ALA 41 HB3 ALA 41 -13.080 -0.027 2.807 348 H HIS 42 HN HIS 42 -14.197 0.252 0.843 349 HA HIS 42 HA HIS 42 -15.508 -2.163 0.148 350 HB2 HIS 42 HB2 HIS 42 -16.458 0.069 1.089 351 HB3 HIS 42 HB3 HIS 42 -16.511 0.613 -0.584 352 HD1 HIS 42 HD1 HIS 42 -18.665 -0.986 1.909 353 HD2 HIS 42 HD2 HIS 42 -17.984 -1.470 -2.238 354 HE1 HIS 42 HE1 HIS 42 -20.597 -2.343 1.002 355 H ALA 43 HN ALA 43 -13.985 0.339 -1.873 356 HA ALA 43 HA ALA 43 -15.169 -0.265 -4.362 357 HB1 ALA 43 HB1 ALA 43 -13.767 1.716 -3.939 358 HB2 ALA 43 HB2 ALA 43 -12.328 0.690 -3.753 359 HB3 ALA 43 HB3 ALA 43 -13.148 0.792 -5.324 360 H LEU 44 HN LEU 44 -12.728 -2.026 -2.570 361 HA LEU 44 HA LEU 44 -12.426 -3.937 -4.813 362 HB2 LEU 44 HB2 LEU 44 -10.061 -3.898 -3.114 363 HB3 LEU 44 HB3 LEU 44 -10.203 -3.896 -4.840 364 HG LEU 44 HG LEU 44 -10.576 -1.324 -3.260 365 HD11 LEU 44 HD11 LEU 44 -8.246 -0.809 -3.585 366 HD12 LEU 44 HD12 LEU 44 -7.937 -2.413 -4.277 367 HD13 LEU 44 HD13 LEU 44 -8.412 -2.251 -2.578 368 HD21 LEU 44 HD21 LEU 44 -11.208 -1.474 -5.737 369 HD22 LEU 44 HD22 LEU 44 -9.507 -1.831 -6.059 370 HD23 LEU 44 HD23 LEU 44 -9.987 -0.275 -5.328 371 H LYS 45 HN LYS 45 -14.119 -3.676 -2.259 372 HA LYS 45 HA LYS 45 -15.175 -5.152 -0.959 373 HB2 LYS 45 HB2 LYS 45 -13.828 -7.038 -2.941 374 HB3 LYS 45 HB3 LYS 45 -15.050 -7.566 -1.826 375 HG2 LYS 45 HG2 LYS 45 -16.670 -5.944 -2.780 376 HG3 LYS 45 HG3 LYS 45 -15.413 -5.193 -3.744 377 HD2 LYS 45 HD2 LYS 45 -16.610 -6.503 -5.265 378 HD3 LYS 45 HD3 LYS 45 -15.090 -7.354 -4.984 379 HE2 LYS 45 HE2 LYS 45 -16.876 -8.939 -5.043 380 HE3 LYS 45 HE3 LYS 45 -16.318 -8.853 -3.365 381 HZ1 LYS 45 HZ1 LYS 45 -18.794 -8.798 -3.764 382 HZ2 LYS 45 HZ2 LYS 45 -18.625 -7.309 -4.391 383 HZ3 LYS 45 HZ3 LYS 45 -18.259 -7.549 -2.819 384 H LEU 46 HN LEU 46 -12.229 -4.562 -0.157 385 HA LEU 46 HA LEU 46 -11.723 -6.937 1.596 386 HB2 LEU 46 HB2 LEU 46 -10.049 -4.521 0.875 387 HB3 LEU 46 HB3 LEU 46 -9.565 -5.684 2.037 388 HG LEU 46 HG LEU 46 -10.268 -6.748 -0.696 389 HD11 LEU 46 HD11 LEU 46 -7.820 -6.291 -1.329 390 HD12 LEU 46 HD12 LEU 46 -7.833 -5.094 0.001 391 HD13 LEU 46 HD13 LEU 46 -8.929 -4.918 -1.357 392 HD21 LEU 46 HD21 LEU 46 -8.104 -7.464 1.327 393 HD22 LEU 46 HD22 LEU 46 -8.450 -8.321 -0.177 394 HD23 LEU 46 HD23 LEU 46 -9.675 -8.305 1.102 395 H SER 47 HN SER 47 -10.999 -6.361 3.842 396 HA SER 47 HA SER 47 -12.722 -4.412 5.149 397 HB2 SER 47 HB2 SER 47 -10.713 -6.471 5.942 398 HB3 SER 47 HB3 SER 47 -10.602 -4.999 6.876 399 HG SER 47 HG SER 47 -12.566 -6.919 6.853 400 H GLU 48 HN GLU 48 -12.044 -2.449 6.070 401 HA GLU 48 HA GLU 48 -10.291 -0.663 4.909 402 HB2 GLU 48 HB2 GLU 48 -10.812 -1.030 7.868 403 HB3 GLU 48 HB3 GLU 48 -10.234 0.419 7.088 404 HG2 GLU 48 HG2 GLU 48 -12.433 0.813 6.076 405 HG3 GLU 48 HG3 GLU 48 -13.002 -0.745 6.726 406 H VAL 49 HN VAL 49 -9.601 -2.920 7.567 407 HA VAL 49 HA VAL 49 -6.991 -1.979 8.095 408 HB VAL 49 HB VAL 49 -8.235 -4.695 8.628 409 HG11 VAL 49 HG11 VAL 49 -5.799 -4.812 8.873 410 HG12 VAL 49 HG12 VAL 49 -5.815 -3.363 9.920 411 HG13 VAL 49 HG13 VAL 49 -6.606 -4.882 10.444 412 HG21 VAL 49 HG21 VAL 49 -9.559 -2.881 9.657 413 HG22 VAL 49 HG22 VAL 49 -8.693 -3.775 10.902 414 HG23 VAL 49 HG23 VAL 49 -8.090 -2.190 10.372 415 H GLN 50 HN GLN 50 -8.156 -4.580 5.916 416 HA GLN 50 HA GLN 50 -5.665 -5.761 5.277 417 HB2 GLN 50 HB2 GLN 50 -8.198 -5.365 3.654 418 HB3 GLN 50 HB3 GLN 50 -6.885 -6.381 3.123 419 HG2 GLN 50 HG2 GLN 50 -8.114 -6.954 5.830 420 HG3 GLN 50 HG3 GLN 50 -9.007 -7.361 4.371 421 HE21 GLN 50 HE21 GLN 50 -8.241 -9.029 2.960 422 HE22 GLN 50 HE22 GLN 50 -7.006 -10.145 3.469 423 H VAL 51 HN VAL 51 -7.413 -2.948 3.808 424 HA VAL 51 HA VAL 51 -5.501 -2.293 1.830 425 HB VAL 51 HB VAL 51 -7.304 -0.367 3.357 426 HG11 VAL 51 HG11 VAL 51 -5.676 0.759 1.961 427 HG12 VAL 51 HG12 VAL 51 -6.116 -0.261 0.569 428 HG13 VAL 51 HG13 VAL 51 -7.283 0.908 1.262 429 HG21 VAL 51 HG21 VAL 51 -7.967 -2.038 0.879 430 HG22 VAL 51 HG22 VAL 51 -8.718 -2.238 2.479 431 HG23 VAL 51 HG23 VAL 51 -8.968 -0.751 1.585 432 H LYS 52 HN LYS 52 -5.909 -1.010 5.162 433 HA LYS 52 HA LYS 52 -3.625 0.646 5.217 434 HB2 LYS 52 HB2 LYS 52 -5.345 0.769 6.898 435 HB3 LYS 52 HB3 LYS 52 -5.055 -0.883 7.423 436 HG2 LYS 52 HG2 LYS 52 -2.835 -0.267 8.303 437 HG3 LYS 52 HG3 LYS 52 -3.086 1.405 7.740 438 HD2 LYS 52 HD2 LYS 52 -3.687 1.524 10.007 439 HD3 LYS 52 HD3 LYS 52 -5.245 1.312 9.220 440 HE2 LYS 52 HE2 LYS 52 -5.527 -0.375 10.735 441 HE3 LYS 52 HE3 LYS 52 -4.557 -1.328 9.584 442 HZ1 LYS 52 HZ1 LYS 52 -2.578 -0.754 10.936 443 HZ2 LYS 52 HZ2 LYS 52 -3.749 -1.446 11.883 444 HZ3 LYS 52 HZ3 LYS 52 -3.497 0.137 11.943 445 H ILE 53 HN ILE 53 -3.737 -2.918 5.674 446 HA ILE 53 HA ILE 53 -1.024 -3.024 6.609 447 HB ILE 53 HB ILE 53 -2.506 -5.290 5.304 448 HG12 ILE 53 HG12 ILE 53 -3.937 -4.911 7.080 449 HG13 ILE 53 HG13 ILE 53 -2.809 -5.977 7.763 450 HG21 ILE 53 HG21 ILE 53 -0.102 -5.695 5.510 451 HG22 ILE 53 HG22 ILE 53 -0.107 -5.135 7.202 452 HG23 ILE 53 HG23 ILE 53 -0.933 -6.642 6.730 453 HD11 ILE 53 HD11 ILE 53 -1.621 -4.103 8.892 454 HD12 ILE 53 HD12 ILE 53 -2.914 -3.016 8.324 455 HD13 ILE 53 HD13 ILE 53 -3.303 -4.349 9.411 456 H TRP 54 HN TRP 54 -2.473 -2.929 3.333 457 HA TRP 54 HA TRP 54 0.030 -3.670 2.043 458 HB2 TRP 54 HB2 TRP 54 -2.485 -3.797 1.201 459 HB3 TRP 54 HB3 TRP 54 -2.190 -2.142 0.672 460 HD1 TRP 54 HD1 TRP 54 -1.358 -5.754 -0.070 461 HE1 TRP 54 HE1 TRP 54 -0.313 -5.940 -2.361 462 HE3 TRP 54 HE3 TRP 54 -0.639 -0.775 -1.017 463 HZ2 TRP 54 HZ2 TRP 54 0.968 -4.097 -4.344 464 HZ3 TRP 54 HZ3 TRP 54 0.289 -0.050 -3.167 465 HH2 TRP 54 HH2 TRP 54 1.150 -1.712 -4.802 466 H PHE 55 HN PHE 55 -1.757 -0.556 2.480 467 HA PHE 55 HA PHE 55 0.242 1.082 1.316 468 HB2 PHE 55 HB2 PHE 55 -1.902 1.617 3.422 469 HB3 PHE 55 HB3 PHE 55 -0.749 2.866 2.995 470 HD1 PHE 55 HD2 PHE 55 -3.341 0.625 1.412 471 HD2 PHE 55 HD1 PHE 55 -1.099 4.306 1.157 472 HE1 PHE 55 HE2 PHE 55 -4.839 1.421 -0.395 473 HE2 PHE 55 HE1 PHE 55 -2.649 5.087 -0.662 474 HZ PHE 55 HZ PHE 55 -4.502 3.643 -1.392 475 H GLN 56 HN GLN 56 0.039 -0.015 4.803 476 HA GLN 56 HA GLN 56 2.239 1.688 5.559 477 HB2 GLN 56 HB2 GLN 56 2.388 0.428 7.564 478 HB3 GLN 56 HB3 GLN 56 0.668 0.568 7.188 479 HG2 GLN 56 HG2 GLN 56 0.934 -1.738 6.112 480 HG3 GLN 56 HG3 GLN 56 2.542 -1.803 6.861 481 HE21 GLN 56 HE21 GLN 56 -0.786 -0.912 7.877 482 HE22 GLN 56 HE22 GLN 56 -0.666 -1.783 9.420 483 H ASN 57 HN ASN 57 2.092 -1.541 4.168 484 HA ASN 57 HA ASN 57 4.915 -2.071 4.544 485 HB2 ASN 57 HB2 ASN 57 2.537 -3.449 3.183 486 HB3 ASN 57 HB3 ASN 57 4.140 -3.922 2.734 487 HD21 ASN 57 HD21 ASN 57 1.837 -3.923 5.456 488 HD22 ASN 57 HD22 ASN 57 2.866 -4.842 6.542 489 H GLU 58 HN GLU 58 3.022 -0.343 2.211 490 HA GLU 58 HA GLU 58 5.215 -0.455 0.247 491 HB2 GLU 58 HB2 GLU 58 3.785 0.247 -1.273 492 HB3 GLU 58 HB3 GLU 58 2.610 -0.392 -0.130 493 HG2 GLU 58 HG2 GLU 58 2.219 1.945 0.660 494 HG3 GLU 58 HG3 GLU 58 3.411 2.474 -0.536 495 H ARG 59 HN ARG 59 3.612 2.076 2.368 496 HA ARG 59 HA ARG 59 5.173 4.144 1.545 497 HB2 ARG 59 HB2 ARG 59 4.651 5.270 3.490 498 HB3 ARG 59 HB3 ARG 59 3.216 4.349 3.013 499 HG2 ARG 59 HG2 ARG 59 3.853 2.698 4.743 500 HG3 ARG 59 HG3 ARG 59 5.138 3.780 5.286 501 HD2 ARG 59 HD2 ARG 59 3.417 5.514 5.808 502 HD3 ARG 59 HD3 ARG 59 2.148 4.337 5.384 503 HE ARG 59 HE ARG 59 3.986 3.159 7.203 504 HH11 ARG 59 HH11 ARG 59 1.756 5.952 7.505 505 HH12 ARG 59 HH12 ARG 59 1.593 5.684 9.220 506 HH21 ARG 59 HH21 ARG 59 3.744 2.933 9.439 507 HH22 ARG 59 HH22 ARG 59 2.837 4.105 10.294 508 H ALA 60 HN ALA 60 5.931 1.694 3.842 509 HA ALA 60 HA ALA 60 8.367 2.951 4.818 510 HB1 ALA 60 HB1 ALA 60 7.215 1.330 6.212 511 HB2 ALA 60 HB2 ALA 60 7.550 0.031 5.032 512 HB3 ALA 60 HB3 ALA 60 8.889 0.832 5.891 513 H LYS 61 HN LYS 61 7.791 0.398 2.320 514 HA LYS 61 HA LYS 61 10.593 0.054 1.771 515 HB2 LYS 61 HB2 LYS 61 10.023 -1.409 0.142 516 HB3 LYS 61 HB3 LYS 61 8.508 -1.424 1.043 517 HG2 LYS 61 HG2 LYS 61 7.707 0.389 -0.598 518 HG3 LYS 61 HG3 LYS 61 9.138 0.020 -1.552 519 HD2 LYS 61 HD2 LYS 61 8.259 -2.240 -1.956 520 HD3 LYS 61 HD3 LYS 61 6.895 -1.911 -0.840 521 HE2 LYS 61 HE2 LYS 61 6.429 0.183 -2.257 522 HE3 LYS 61 HE3 LYS 61 7.586 -0.428 -3.444 523 HZ1 LYS 61 HZ1 LYS 61 6.124 -2.286 -3.829 524 HZ2 LYS 61 HZ2 LYS 61 5.306 -0.894 -3.972 525 HZ3 LYS 61 HZ3 LYS 61 5.077 -1.792 -2.631 526 H TRP 62 HN TRP 62 8.052 2.193 0.402 527 HA TRP 62 HA TRP 62 9.728 3.258 -1.635 528 HB2 TRP 62 HB2 TRP 62 7.073 3.234 -1.224 529 HB3 TRP 62 HB3 TRP 62 7.412 4.820 -0.551 530 HD1 TRP 62 HD1 TRP 62 7.073 2.896 -3.774 531 HE1 TRP 62 HE1 TRP 62 7.494 4.357 -5.807 532 HE3 TRP 62 HE3 TRP 62 8.877 7.045 -1.394 533 HZ2 TRP 62 HZ2 TRP 62 8.240 7.125 -6.347 534 HZ3 TRP 62 HZ3 TRP 62 9.660 8.991 -2.742 535 HH2 TRP 62 HH2 TRP 62 9.250 9.087 -5.181 536 H LYS 63 HN LYS 63 9.024 4.278 1.733 537 HA LYS 63 HA LYS 63 10.469 6.752 1.537 538 HB2 LYS 63 HB2 LYS 63 9.654 4.953 3.864 539 HB3 LYS 63 HB3 LYS 63 10.690 6.357 4.112 540 HG2 LYS 63 HG2 LYS 63 8.608 7.359 2.441 541 HG3 LYS 63 HG3 LYS 63 7.796 6.284 3.547 542 HD2 LYS 63 HD2 LYS 63 7.755 8.365 4.608 543 HD3 LYS 63 HD3 LYS 63 9.047 7.498 5.446 544 HE2 LYS 63 HE2 LYS 63 10.711 8.628 3.890 545 HE3 LYS 63 HE3 LYS 63 9.365 9.533 3.171 546 HZ1 LYS 63 HZ1 LYS 63 8.935 10.383 5.442 547 HZ2 LYS 63 HZ2 LYS 63 10.340 10.908 4.807 548 HZ3 LYS 63 HZ3 LYS 63 10.342 9.691 5.956 549 H ARG 64 HN ARG 64 11.809 3.576 1.343 550 HA ARG 64 HA ARG 64 14.412 4.434 2.376 551 HB2 ARG 64 HB2 ARG 64 13.550 1.947 0.933 552 HB3 ARG 64 HB3 ARG 64 15.192 2.260 1.457 553 HG2 ARG 64 HG2 ARG 64 13.240 2.835 3.616 554 HG3 ARG 64 HG3 ARG 64 13.098 1.228 2.990 555 HD2 ARG 64 HD2 ARG 64 14.582 1.051 4.808 556 HD3 ARG 64 HD3 ARG 64 15.594 0.957 3.364 557 HE ARG 64 HE ARG 64 16.647 2.896 3.939 558 HH11 ARG 64 HH11 ARG 64 13.614 2.855 5.847 559 HH12 ARG 64 HH12 ARG 64 14.250 3.888 7.084 560 HH21 ARG 64 HH21 ARG 64 17.508 4.122 5.736 561 HH22 ARG 64 HH22 ARG 64 16.488 4.558 7.045 562 H ILE 65 HN ILE 65 12.672 5.015 -0.462 563 HA ILE 65 HA ILE 65 15.023 5.167 -2.239 564 HB ILE 65 HB ILE 65 12.108 5.354 -3.003 565 HG12 ILE 65 HG12 ILE 65 13.691 2.767 -2.736 566 HG13 ILE 65 HG13 ILE 65 12.348 3.273 -1.712 567 HG21 ILE 65 HG21 ILE 65 14.673 4.629 -4.478 568 HG22 ILE 65 HG22 ILE 65 13.066 4.366 -5.195 569 HG23 ILE 65 HG23 ILE 65 13.574 5.980 -4.816 570 HD11 ILE 65 HD11 ILE 65 11.356 1.779 -3.196 571 HD12 ILE 65 HD12 ILE 65 10.932 3.367 -3.847 572 HD13 ILE 65 HD13 ILE 65 12.236 2.403 -4.593 573 H LYS 66 HN LYS 66 13.341 7.212 -0.271 574 HA LYS 66 HA LYS 66 12.857 9.508 -1.954 575 HB2 LYS 66 HB2 LYS 66 12.357 10.717 -0.032 576 HB3 LYS 66 HB3 LYS 66 11.601 9.148 -0.025 577 HG2 LYS 66 HG2 LYS 66 12.243 8.934 2.074 578 HG3 LYS 66 HG3 LYS 66 13.884 8.647 1.510 579 HD2 LYS 66 HD2 LYS 66 13.063 11.514 1.755 580 HD3 LYS 66 HD3 LYS 66 13.059 10.624 3.272 581 HE2 LYS 66 HE2 LYS 66 15.466 10.029 1.739 582 HE3 LYS 66 HE3 LYS 66 15.273 11.766 1.863 583 HZ1 LYS 66 HZ1 LYS 66 16.539 10.889 3.726 584 HZ2 LYS 66 HZ2 LYS 66 15.251 9.978 4.214 585 HZ3 LYS 66 HZ3 LYS 66 15.144 11.604 4.230 586 H ALA 67 HN ALA 67 15.220 8.910 -2.874 587 HA ALA 67 HA ALA 67 17.512 9.729 -1.530 588 HB1 ALA 67 HB1 ALA 67 18.610 9.143 -3.630 589 HB2 ALA 67 HB2 ALA 67 17.370 7.946 -3.197 590 HB3 ALA 67 HB3 ALA 67 17.045 9.156 -4.463 591 H GLY 68 HN GLY 68 15.471 11.982 -2.083 592 HA2 GLY 68 HA1 GLY 68 16.417 13.809 -4.041 593 HA3 GLY 68 HA2 GLY 68 15.264 14.098 -2.753 594 H ASN 69 HN ASN 69 18.693 13.201 -2.423 595 HA ASN 69 HA ASN 69 19.353 15.817 -1.238 596 HB2 ASN 69 HB2 ASN 69 18.635 13.856 0.449 597 HB3 ASN 69 HB3 ASN 69 20.282 13.313 0.158 598 HD21 ASN 69 HD21 ASN 69 21.775 15.692 0.175 599 HD22 ASN 69 HD22 ASN 69 21.585 16.510 1.709 600 H VAL 70 HN VAL 70 19.960 14.259 -3.755 601 HA VAL 70 HA VAL 70 21.543 13.463 -5.057 602 HB VAL 70 HB VAL 70 21.898 15.875 -4.955 603 HG11 VAL 70 HG11 VAL 70 24.334 15.274 -3.247 604 HG12 VAL 70 HG12 VAL 70 24.053 16.786 -4.148 605 HG13 VAL 70 HG13 VAL 70 22.963 16.348 -2.862 606 HG21 VAL 70 HG21 VAL 70 24.408 14.372 -5.753 607 HG22 VAL 70 HG22 VAL 70 22.904 14.460 -6.707 608 HG23 VAL 70 HG23 VAL 70 23.830 15.925 -6.365 609 H SER 71 HN SER 71 21.448 12.183 -2.357 610 HA SER 71 HA SER 71 22.200 10.261 -1.501 611 HB2 SER 71 HB2 SER 71 23.002 9.779 -3.933 612 HB3 SER 71 HB3 SER 71 24.624 10.188 -3.306 613 HG SER 71 HG SER 71 24.595 8.479 -2.004 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 13.873 -6.803 -17.382 2 HA2 GLY 1 HA1 GLY 1 11.328 -5.277 -17.491 3 HA3 GLY 1 HA2 GLY 1 11.405 -7.019 -17.217 4 H ALA 2 HN ALA 2 12.619 -3.921 -15.894 5 HA ALA 2 HA ALA 2 13.161 -3.255 -13.778 6 HB1 ALA 2 HB1 ALA 2 10.859 -2.772 -14.082 7 HB2 ALA 2 HB2 ALA 2 10.369 -4.408 -13.548 8 HB3 ALA 2 HB3 ALA 2 11.102 -3.271 -12.405 9 HA PRO 3 HA PRO 3 14.222 -7.532 -12.111 10 HB2 PRO 3 HB2 PRO 3 16.956 -7.376 -12.084 11 HB3 PRO 3 HB3 PRO 3 16.028 -7.813 -13.551 12 HG2 PRO 3 HG2 PRO 3 17.083 -5.084 -12.782 13 HG3 PRO 3 HG3 PRO 3 17.292 -5.956 -14.342 14 HD2 PRO 3 HD2 PRO 3 15.344 -4.100 -14.021 15 HD3 PRO 3 HD3 PRO 3 15.028 -5.608 -14.934 16 H GLY 4 HN GLY 4 15.198 -8.107 -10.034 17 HA2 GLY 4 HA1 GLY 4 16.426 -7.106 -8.032 18 HA3 GLY 4 HA2 GLY 4 15.214 -5.813 -8.116 19 H GLY 5 HN GLY 5 15.107 -9.423 -8.426 20 HA2 GLY 5 HA1 GLY 5 12.585 -9.701 -7.098 21 HA3 GLY 5 HA2 GLY 5 13.744 -10.976 -7.511 22 H LYS 6 HN LYS 6 12.181 -10.437 -5.061 23 HA LYS 6 HA LYS 6 14.055 -11.444 -3.198 24 HB2 LYS 6 HB2 LYS 6 14.509 -8.900 -3.076 25 HB3 LYS 6 HB3 LYS 6 12.863 -8.715 -2.463 26 HG2 LYS 6 HG2 LYS 6 13.454 -10.132 -0.495 27 HG3 LYS 6 HG3 LYS 6 15.069 -10.388 -1.181 28 HD2 LYS 6 HD2 LYS 6 15.488 -7.971 -1.143 29 HD3 LYS 6 HD3 LYS 6 13.902 -7.696 -0.378 30 HE2 LYS 6 HE2 LYS 6 14.588 -8.934 1.594 31 HE3 LYS 6 HE3 LYS 6 16.075 -9.485 0.798 32 HZ1 LYS 6 HZ1 LYS 6 17.076 -7.573 1.132 33 HZ2 LYS 6 HZ2 LYS 6 15.999 -7.335 2.366 34 HZ3 LYS 6 HZ3 LYS 6 15.810 -6.628 0.865 35 H SER 7 HN SER 7 12.789 -12.602 -1.573 36 HA SER 7 HA SER 7 9.995 -12.842 -1.783 37 HB2 SER 7 HB2 SER 7 11.655 -13.232 0.745 38 HB3 SER 7 HB3 SER 7 10.192 -14.098 0.241 39 HG SER 7 HG SER 7 11.677 -15.466 -0.447 40 H ARG 8 HN ARG 8 8.286 -11.882 -0.477 41 HA ARG 8 HA ARG 8 9.076 -9.575 1.263 42 HB2 ARG 8 HB2 ARG 8 7.142 -9.519 -1.036 43 HB3 ARG 8 HB3 ARG 8 6.679 -8.698 0.457 44 HG2 ARG 8 HG2 ARG 8 7.747 -7.010 -0.731 45 HG3 ARG 8 HG3 ARG 8 8.940 -7.534 0.443 46 HD2 ARG 8 HD2 ARG 8 10.309 -7.574 -1.373 47 HD3 ARG 8 HD3 ARG 8 9.633 -9.168 -1.627 48 HE ARG 8 HE ARG 8 7.892 -7.986 -3.083 49 HH11 ARG 8 HH11 ARG 8 11.305 -6.857 -2.883 50 HH12 ARG 8 HH12 ARG 8 11.254 -6.229 -4.501 51 HH21 ARG 8 HH21 ARG 8 7.898 -7.091 -5.089 52 HH22 ARG 8 HH22 ARG 8 9.321 -6.294 -5.733 53 H ARG 9 HN ARG 9 8.822 -10.368 3.155 54 HA ARG 9 HA ARG 9 6.685 -12.196 3.924 55 HB2 ARG 9 HB2 ARG 9 8.868 -10.763 5.504 56 HB3 ARG 9 HB3 ARG 9 7.824 -12.032 6.154 57 HG2 ARG 9 HG2 ARG 9 8.763 -13.690 4.659 58 HG3 ARG 9 HG3 ARG 9 9.684 -12.474 3.771 59 HD2 ARG 9 HD2 ARG 9 10.992 -11.953 5.823 60 HD3 ARG 9 HD3 ARG 9 10.176 -13.281 6.661 61 HE ARG 9 HE ARG 9 12.323 -13.423 4.729 62 HH11 ARG 9 HH11 ARG 9 9.688 -15.307 6.228 63 HH12 ARG 9 HH12 ARG 9 10.227 -16.817 5.573 64 HH21 ARG 9 HH21 ARG 9 13.158 -15.537 4.070 65 HH22 ARG 9 HH22 ARG 9 12.281 -16.931 4.556 66 H ARG 10 HN ARG 10 5.506 -11.593 5.971 67 HA ARG 10 HA ARG 10 3.844 -10.502 7.010 68 HB2 ARG 10 HB2 ARG 10 5.833 -9.319 8.008 69 HB3 ARG 10 HB3 ARG 10 5.619 -8.042 6.809 70 HG2 ARG 10 HG2 ARG 10 3.195 -7.834 7.740 71 HG3 ARG 10 HG3 ARG 10 3.742 -8.821 9.087 72 HD2 ARG 10 HD2 ARG 10 5.048 -6.201 8.198 73 HD3 ARG 10 HD3 ARG 10 3.775 -6.303 9.420 74 HE ARG 10 HE ARG 10 5.595 -8.013 10.429 75 HH11 ARG 10 HH11 ARG 10 5.606 -4.551 9.606 76 HH12 ARG 10 HH12 ARG 10 7.060 -4.185 10.443 77 HH21 ARG 10 HH21 ARG 10 7.210 -7.364 12.030 78 HH22 ARG 10 HH22 ARG 10 7.775 -5.727 11.989 79 H ARG 11 HN ARG 11 2.535 -10.932 5.098 80 HA ARG 11 HA ARG 11 1.274 -8.497 4.131 81 HB2 ARG 11 HB2 ARG 11 3.081 -10.119 2.389 82 HB3 ARG 11 HB3 ARG 11 1.494 -9.821 1.702 83 HG2 ARG 11 HG2 ARG 11 1.777 -7.573 1.457 84 HG3 ARG 11 HG3 ARG 11 2.855 -7.408 2.828 85 HD2 ARG 11 HD2 ARG 11 4.709 -7.701 1.610 86 HD3 ARG 11 HD3 ARG 11 4.076 -9.103 0.782 87 HE ARG 11 HE ARG 11 3.795 -7.873 -1.026 88 HH11 ARG 11 HH11 ARG 11 3.479 -5.613 1.696 89 HH12 ARG 11 HH12 ARG 11 3.686 -4.194 0.713 90 HH21 ARG 11 HH21 ARG 11 3.738 -5.979 -2.368 91 HH22 ARG 11 HH22 ARG 11 3.751 -4.390 -1.611 92 H THR 12 HN THR 12 -0.822 -8.885 4.178 93 HA THR 12 HA THR 12 -2.097 -11.414 4.480 94 HB THR 12 HB THR 12 -3.360 -8.894 3.514 95 HG1 THR 12 HG1 THR 12 -3.193 -7.906 5.398 96 HG21 THR 12 HG21 THR 12 -4.865 -10.820 3.911 97 HG22 THR 12 HG22 THR 12 -5.174 -9.492 5.040 98 HG23 THR 12 HG23 THR 12 -4.271 -10.906 5.591 99 H ALA 13 HN ALA 13 -3.960 -11.947 2.721 100 HA ALA 13 HA ALA 13 -2.406 -12.521 0.283 101 HB1 ALA 13 HB1 ALA 13 -3.307 -14.386 1.550 102 HB2 ALA 13 HB2 ALA 13 -4.942 -13.691 1.476 103 HB3 ALA 13 HB3 ALA 13 -4.127 -14.254 -0.007 104 H PHE 14 HN PHE 14 -2.595 -10.407 -0.680 105 HA PHE 14 HA PHE 14 -5.271 -9.491 -1.546 106 HB2 PHE 14 HB2 PHE 14 -2.514 -8.192 -1.552 107 HB3 PHE 14 HB3 PHE 14 -3.877 -7.531 -2.412 108 HD1 PHE 14 HD1 PHE 14 -4.536 -8.867 0.979 109 HD2 PHE 14 HD2 PHE 14 -3.592 -5.426 -1.352 110 HE1 PHE 14 HE1 PHE 14 -4.947 -7.484 2.961 111 HE2 PHE 14 HE2 PHE 14 -3.893 -4.014 0.724 112 HZ PHE 14 HZ PHE 14 -4.516 -5.052 2.847 113 H THR 15 HN THR 15 -5.791 -9.898 -3.655 114 HA THR 15 HA THR 15 -3.868 -11.159 -5.470 115 HB THR 15 HB THR 15 -5.755 -11.022 -7.125 116 HG1 THR 15 HG1 THR 15 -7.486 -10.124 -6.755 117 HG21 THR 15 HG21 THR 15 -7.062 -12.760 -6.035 118 HG22 THR 15 HG22 THR 15 -6.514 -12.222 -4.432 119 HG23 THR 15 HG23 THR 15 -5.375 -12.977 -5.577 120 H SER 16 HN SER 16 -3.670 -10.272 -7.793 121 HA SER 16 HA SER 16 -2.191 -7.874 -7.602 122 HB2 SER 16 HB2 SER 16 -3.272 -9.361 -10.004 123 HB3 SER 16 HB3 SER 16 -2.183 -7.957 -10.092 124 HG SER 16 HG SER 16 -1.620 -10.551 -9.516 125 H GLU 17 HN GLU 17 -5.566 -8.390 -8.591 126 HA GLU 17 HA GLU 17 -6.281 -5.905 -9.659 127 HB2 GLU 17 HB2 GLU 17 -7.871 -7.507 -7.617 128 HB3 GLU 17 HB3 GLU 17 -8.476 -6.294 -8.751 129 HG2 GLU 17 HG2 GLU 17 -9.006 -8.189 -9.900 130 HG3 GLU 17 HG3 GLU 17 -7.392 -7.929 -10.560 131 H GLN 18 HN GLN 18 -6.181 -6.977 -6.274 132 HA GLN 18 HA GLN 18 -6.984 -4.484 -5.167 133 HB2 GLN 18 HB2 GLN 18 -5.536 -6.677 -3.653 134 HB3 GLN 18 HB3 GLN 18 -6.751 -5.548 -3.044 135 HG2 GLN 18 HG2 GLN 18 -8.405 -6.724 -4.682 136 HG3 GLN 18 HG3 GLN 18 -7.099 -7.870 -4.935 137 HE21 GLN 18 HE21 GLN 18 -9.969 -7.447 -3.078 138 HE22 GLN 18 HE22 GLN 18 -9.584 -8.695 -1.952 139 H LEU 19 HN LEU 19 -3.858 -6.008 -5.803 140 HA LEU 19 HA LEU 19 -2.327 -3.959 -4.453 141 HB2 LEU 19 HB2 LEU 19 -1.586 -5.909 -6.665 142 HB3 LEU 19 HB3 LEU 19 -0.441 -4.897 -5.819 143 HG LEU 19 HG LEU 19 -2.205 -6.983 -4.451 144 HD11 LEU 19 HD11 LEU 19 -0.249 -8.428 -4.401 145 HD12 LEU 19 HD12 LEU 19 0.723 -7.209 -5.273 146 HD13 LEU 19 HD13 LEU 19 -0.638 -8.031 -6.052 147 HD21 LEU 19 HD21 LEU 19 -1.284 -5.081 -3.009 148 HD22 LEU 19 HD22 LEU 19 0.323 -5.737 -3.358 149 HD23 LEU 19 HD23 LEU 19 -0.918 -6.719 -2.509 150 H LEU 20 HN LEU 20 -3.967 -3.911 -7.551 151 HA LEU 20 HA LEU 20 -2.028 -2.215 -8.921 152 HB2 LEU 20 HB2 LEU 20 -3.845 -3.828 -9.875 153 HB3 LEU 20 HB3 LEU 20 -4.977 -2.518 -9.607 154 HG LEU 20 HG LEU 20 -2.453 -2.360 -11.318 155 HD11 LEU 20 HD11 LEU 20 -4.032 -3.960 -12.232 156 HD12 LEU 20 HD12 LEU 20 -4.045 -2.510 -13.230 157 HD13 LEU 20 HD13 LEU 20 -5.372 -2.816 -12.068 158 HD21 LEU 20 HD21 LEU 20 -3.052 -0.119 -10.655 159 HD22 LEU 20 HD22 LEU 20 -4.773 -0.398 -11.000 160 HD23 LEU 20 HD23 LEU 20 -3.573 -0.333 -12.321 161 H GLU 21 HN GLU 21 -5.257 -1.720 -7.555 162 HA GLU 21 HA GLU 21 -5.409 1.079 -7.710 163 HB2 GLU 21 HB2 GLU 21 -6.600 -0.879 -5.711 164 HB3 GLU 21 HB3 GLU 21 -7.221 0.741 -5.993 165 HG2 GLU 21 HG2 GLU 21 -7.140 -1.554 -8.007 166 HG3 GLU 21 HG3 GLU 21 -8.566 -0.921 -7.167 167 H LEU 22 HN LEU 22 -4.226 -1.046 -5.133 168 HA LEU 22 HA LEU 22 -3.590 1.061 -3.264 169 HB2 LEU 22 HB2 LEU 22 -2.925 -1.881 -3.565 170 HB3 LEU 22 HB3 LEU 22 -2.092 -0.936 -2.353 171 HG LEU 22 HG LEU 22 -4.014 -0.470 -1.096 172 HD11 LEU 22 HD11 LEU 22 -5.631 0.216 -2.704 173 HD12 LEU 22 HD12 LEU 22 -6.306 -1.066 -1.699 174 HD13 LEU 22 HD13 LEU 22 -5.750 -1.423 -3.347 175 HD21 LEU 22 HD21 LEU 22 -4.336 -3.307 -2.224 176 HD22 LEU 22 HD22 LEU 22 -4.942 -2.735 -0.669 177 HD23 LEU 22 HD23 LEU 22 -3.183 -2.824 -0.973 178 H ARG 23 HN ARG 23 -1.836 -0.174 -6.067 179 HA ARG 23 HA ARG 23 0.696 1.060 -5.169 180 HB2 ARG 23 HB2 ARG 23 -0.219 -0.420 -7.680 181 HB3 ARG 23 HB3 ARG 23 1.309 0.453 -7.630 182 HG2 ARG 23 HG2 ARG 23 2.272 -0.985 -6.062 183 HG3 ARG 23 HG3 ARG 23 0.741 -1.657 -5.527 184 HD2 ARG 23 HD2 ARG 23 0.494 -3.018 -7.435 185 HD3 ARG 23 HD3 ARG 23 1.551 -2.024 -8.415 186 HE ARG 23 HE ARG 23 3.369 -2.843 -6.783 187 HH11 ARG 23 HH11 ARG 23 0.768 -4.927 -8.188 188 HH12 ARG 23 HH12 ARG 23 1.712 -6.363 -8.040 189 HH21 ARG 23 HH21 ARG 23 4.653 -4.729 -6.937 190 HH22 ARG 23 HH22 ARG 23 3.994 -6.211 -7.444 191 H LYS 24 HN LYS 24 -2.234 1.789 -7.033 192 HA LYS 24 HA LYS 24 -1.142 4.069 -8.416 193 HB2 LYS 24 HB2 LYS 24 -3.965 3.053 -7.953 194 HB3 LYS 24 HB3 LYS 24 -3.673 4.611 -8.693 195 HG2 LYS 24 HG2 LYS 24 -2.592 1.996 -9.807 196 HG3 LYS 24 HG3 LYS 24 -4.104 2.762 -10.292 197 HD2 LYS 24 HD2 LYS 24 -2.666 4.872 -10.780 198 HD3 LYS 24 HD3 LYS 24 -1.272 3.772 -10.723 199 HE2 LYS 24 HE2 LYS 24 -2.355 2.368 -12.495 200 HE3 LYS 24 HE3 LYS 24 -3.747 3.463 -12.481 201 HZ1 LYS 24 HZ1 LYS 24 -1.992 5.244 -12.972 202 HZ2 LYS 24 HZ2 LYS 24 -2.518 4.273 -14.185 203 HZ3 LYS 24 HZ3 LYS 24 -1.041 3.997 -13.470 204 H GLU 25 HN GLU 25 -3.670 3.919 -5.884 205 HA GLU 25 HA GLU 25 -3.696 6.698 -5.393 206 HB2 GLU 25 HB2 GLU 25 -5.583 5.372 -4.872 207 HB3 GLU 25 HB3 GLU 25 -4.641 4.266 -3.882 208 HG2 GLU 25 HG2 GLU 25 -6.103 5.584 -2.506 209 HG3 GLU 25 HG3 GLU 25 -4.449 5.859 -2.109 210 H PHE 26 HN PHE 26 -1.426 4.315 -4.257 211 HA PHE 26 HA PHE 26 -0.408 5.561 -1.936 212 HB2 PHE 26 HB2 PHE 26 0.169 3.324 -2.770 213 HB3 PHE 26 HB3 PHE 26 1.045 4.023 -4.125 214 HD1 PHE 26 HD1 PHE 26 0.941 3.498 -0.461 215 HD2 PHE 26 HD2 PHE 26 3.340 4.803 -3.790 216 HE1 PHE 26 HE1 PHE 26 2.940 3.341 0.927 217 HE2 PHE 26 HE2 PHE 26 5.383 4.646 -2.389 218 HZ PHE 26 HZ PHE 26 5.211 3.875 -0.042 219 H HIS 27 HN HIS 27 -0.001 6.628 -5.346 220 HA HIS 27 HA HIS 27 2.258 8.348 -4.577 221 HB2 HIS 27 HB2 HIS 27 0.855 7.688 -7.121 222 HB3 HIS 27 HB3 HIS 27 1.470 9.328 -6.975 223 HD1 HIS 27 HD1 HIS 27 3.647 9.156 -8.499 224 HD2 HIS 27 HD2 HIS 27 3.297 6.293 -5.408 225 HE1 HIS 27 HE1 HIS 27 5.882 7.975 -8.359 226 H CYS 28 HN CYS 28 -1.163 8.624 -4.273 227 HA CYS 28 HA CYS 28 -1.235 11.505 -4.154 228 HB2 CYS 28 HB2 CYS 28 -3.219 10.026 -4.613 229 HB3 CYS 28 HB3 CYS 28 -3.093 9.400 -2.961 230 HG CYS 28 HG CYS 28 -5.075 10.995 -3.126 231 H LYS 29 HN LYS 29 -1.121 8.883 -1.610 232 HA LYS 29 HA LYS 29 -0.048 10.735 0.393 233 HB2 LYS 29 HB2 LYS 29 -2.735 10.891 -0.218 234 HB3 LYS 29 HB3 LYS 29 -2.785 9.636 0.995 235 HG2 LYS 29 HG2 LYS 29 -1.880 11.058 2.658 236 HG3 LYS 29 HG3 LYS 29 -1.257 12.227 1.490 237 HD2 LYS 29 HD2 LYS 29 -4.233 11.682 1.797 238 HD3 LYS 29 HD3 LYS 29 -3.347 12.919 2.753 239 HE2 LYS 29 HE2 LYS 29 -2.516 13.891 0.548 240 HE3 LYS 29 HE3 LYS 29 -3.675 12.821 -0.276 241 HZ1 LYS 29 HZ1 LYS 29 -4.356 14.974 1.640 242 HZ2 LYS 29 HZ2 LYS 29 -5.442 13.935 0.910 243 HZ3 LYS 29 HZ3 LYS 29 -4.576 14.961 0.023 244 H LYS 30 HN LYS 30 -0.768 9.506 2.600 245 HA LYS 30 HA LYS 30 0.319 6.723 2.368 246 HB2 LYS 30 HB2 LYS 30 1.199 7.062 4.680 247 HB3 LYS 30 HB3 LYS 30 1.982 8.053 3.460 248 HG2 LYS 30 HG2 LYS 30 -0.296 9.391 4.836 249 HG3 LYS 30 HG3 LYS 30 1.063 8.967 5.883 250 HD2 LYS 30 HD2 LYS 30 2.613 10.215 4.532 251 HD3 LYS 30 HD3 LYS 30 1.385 10.530 3.284 252 HE2 LYS 30 HE2 LYS 30 0.070 11.875 4.852 253 HE3 LYS 30 HE3 LYS 30 1.168 11.464 6.179 254 HZ1 LYS 30 HZ1 LYS 30 1.921 13.027 3.787 255 HZ2 LYS 30 HZ2 LYS 30 2.915 12.620 5.054 256 HZ3 LYS 30 HZ3 LYS 30 1.649 13.634 5.299 257 H TYR 31 HN TYR 31 -2.203 8.829 3.712 258 HA TYR 31 HA TYR 31 -3.660 6.507 4.701 259 HB2 TYR 31 HB2 TYR 31 -2.498 8.718 6.350 260 HB3 TYR 31 HB3 TYR 31 -4.227 8.494 6.553 261 HD1 TYR 31 HD2 TYR 31 -0.980 6.636 6.602 262 HD2 TYR 31 HD1 TYR 31 -5.143 6.667 7.732 263 HE1 TYR 31 HE2 TYR 31 -0.617 4.609 7.964 264 HE2 TYR 31 HE1 TYR 31 -4.824 4.636 9.059 265 HH TYR 31 HH TYR 31 -3.285 3.255 10.002 266 H LEU 32 HN LEU 32 -5.880 6.875 4.604 267 HA LEU 32 HA LEU 32 -6.697 9.272 3.063 268 HB2 LEU 32 HB2 LEU 32 -8.257 6.773 2.772 269 HB3 LEU 32 HB3 LEU 32 -7.884 8.052 1.642 270 HG LEU 32 HG LEU 32 -7.149 5.993 0.847 271 HD11 LEU 32 HD11 LEU 32 -4.882 6.536 0.217 272 HD12 LEU 32 HD12 LEU 32 -4.791 7.794 1.480 273 HD13 LEU 32 HD13 LEU 32 -5.963 7.933 0.181 274 HD21 LEU 32 HD21 LEU 32 -6.623 4.837 3.020 275 HD22 LEU 32 HD22 LEU 32 -5.017 5.638 2.952 276 HD23 LEU 32 HD23 LEU 32 -5.537 4.556 1.672 277 H SER 33 HN SER 33 -8.844 9.933 3.413 278 HA SER 33 HA SER 33 -9.827 9.863 6.098 279 HB2 SER 33 HB2 SER 33 -10.300 11.287 3.615 280 HB3 SER 33 HB3 SER 33 -11.837 10.674 4.200 281 HG SER 33 HG SER 33 -11.572 12.563 5.186 282 H LEU 34 HN LEU 34 -12.254 9.272 6.470 283 HA LEU 34 HA LEU 34 -12.429 6.448 6.386 284 HB2 LEU 34 HB2 LEU 34 -14.369 8.695 7.061 285 HB3 LEU 34 HB3 LEU 34 -14.863 7.018 7.100 286 HG LEU 34 HG LEU 34 -14.335 7.943 9.301 287 HD11 LEU 34 HD11 LEU 34 -14.187 5.516 8.905 288 HD12 LEU 34 HD12 LEU 34 -13.058 6.050 10.148 289 HD13 LEU 34 HD13 LEU 34 -12.465 5.680 8.513 290 HD21 LEU 34 HD21 LEU 34 -12.095 8.350 10.066 291 HD22 LEU 34 HD22 LEU 34 -12.451 9.430 8.719 292 HD23 LEU 34 HD23 LEU 34 -11.405 8.001 8.472 293 H THR 35 HN THR 35 -14.205 8.998 4.511 294 HA THR 35 HA THR 35 -15.725 7.219 2.922 295 HB THR 35 HB THR 35 -14.583 9.925 2.133 296 HG1 THR 35 HG1 THR 35 -16.802 9.172 3.726 297 HG21 THR 35 HG21 THR 35 -16.756 10.127 0.865 298 HG22 THR 35 HG22 THR 35 -17.060 8.418 1.208 299 HG23 THR 35 HG23 THR 35 -15.662 8.905 0.225 300 H GLU 36 HN GLU 36 -12.342 8.150 2.714 301 HA GLU 36 HA GLU 36 -12.096 7.550 -0.137 302 HB2 GLU 36 HB2 GLU 36 -10.025 8.131 2.000 303 HB3 GLU 36 HB3 GLU 36 -9.764 8.178 0.253 304 HG2 GLU 36 HG2 GLU 36 -11.565 10.015 1.916 305 HG3 GLU 36 HG3 GLU 36 -10.001 10.433 1.236 306 H ARG 37 HN ARG 37 -11.011 6.160 2.961 307 HA ARG 37 HA ARG 37 -10.142 3.613 1.967 308 HB2 ARG 37 HB2 ARG 37 -11.309 4.558 4.600 309 HB3 ARG 37 HB3 ARG 37 -10.887 2.853 4.306 310 HG2 ARG 37 HG2 ARG 37 -8.580 3.508 3.716 311 HG3 ARG 37 HG3 ARG 37 -8.958 5.201 4.061 312 HD2 ARG 37 HD2 ARG 37 -9.332 3.068 6.171 313 HD3 ARG 37 HD3 ARG 37 -7.732 3.735 5.817 314 HE ARG 37 HE ARG 37 -8.609 5.999 6.339 315 HH11 ARG 37 HH11 ARG 37 -10.893 3.622 7.551 316 HH12 ARG 37 HH12 ARG 37 -10.643 3.957 9.226 317 HH21 ARG 37 HH21 ARG 37 -8.543 6.718 8.651 318 HH22 ARG 37 HH22 ARG 37 -9.621 5.891 9.740 319 H SER 38 HN SER 38 -13.420 4.864 2.776 320 HA SER 38 HA SER 38 -14.801 2.475 2.197 321 HB2 SER 38 HB2 SER 38 -15.634 4.556 3.383 322 HB3 SER 38 HB3 SER 38 -15.845 5.298 1.800 323 HG SER 38 HG SER 38 -17.703 4.568 2.054 324 H GLN 39 HN GLN 39 -13.158 4.610 -0.259 325 HA GLN 39 HA GLN 39 -14.819 3.441 -2.372 326 HB2 GLN 39 HB2 GLN 39 -12.220 5.027 -2.613 327 HB3 GLN 39 HB3 GLN 39 -13.361 4.625 -3.887 328 HG2 GLN 39 HG2 GLN 39 -14.961 6.169 -2.955 329 HG3 GLN 39 HG3 GLN 39 -13.915 6.505 -1.572 330 HE21 GLN 39 HE21 GLN 39 -12.981 8.625 -1.763 331 HE22 GLN 39 HE22 GLN 39 -12.266 9.137 -3.259 332 H ILE 40 HN ILE 40 -11.330 3.485 -1.552 333 HA ILE 40 HA ILE 40 -10.677 1.367 -3.255 334 HB ILE 40 HB ILE 40 -9.381 2.621 -0.835 335 HG12 ILE 40 HG12 ILE 40 -7.908 3.205 -3.210 336 HG13 ILE 40 HG13 ILE 40 -9.609 3.208 -3.696 337 HG21 ILE 40 HG21 ILE 40 -7.166 1.821 -1.516 338 HG22 ILE 40 HG22 ILE 40 -8.216 0.506 -0.957 339 HG23 ILE 40 HG23 ILE 40 -7.940 0.730 -2.699 340 HD11 ILE 40 HD11 ILE 40 -8.608 4.790 -1.334 341 HD12 ILE 40 HD12 ILE 40 -8.767 5.416 -2.994 342 HD13 ILE 40 HD13 ILE 40 -10.200 4.812 -2.139 343 H ALA 41 HN ALA 41 -12.062 1.127 -0.103 344 HA ALA 41 HA ALA 41 -11.194 -1.658 0.323 345 HB1 ALA 41 HB1 ALA 41 -11.524 -0.075 2.264 346 HB2 ALA 41 HB2 ALA 41 -13.263 -0.056 1.888 347 HB3 ALA 41 HB3 ALA 41 -12.460 -1.564 2.370 348 H HIS 42 HN HIS 42 -14.170 0.224 -0.696 349 HA HIS 42 HA HIS 42 -15.677 -2.261 -0.904 350 HB2 HIS 42 HB2 HIS 42 -16.654 0.057 -0.499 351 HB3 HIS 42 HB3 HIS 42 -16.336 0.420 -2.198 352 HD1 HIS 42 HD1 HIS 42 -18.351 -2.027 -0.018 353 HD2 HIS 42 HD2 HIS 42 -18.147 -0.565 -3.960 354 HE1 HIS 42 HE1 HIS 42 -20.381 -2.971 -1.228 355 H ALA 43 HN ALA 43 -13.612 -0.207 -2.977 356 HA ALA 43 HA ALA 43 -14.507 -1.274 -5.479 357 HB1 ALA 43 HB1 ALA 43 -13.239 0.855 -5.210 358 HB2 ALA 43 HB2 ALA 43 -11.799 -0.078 -4.728 359 HB3 ALA 43 HB3 ALA 43 -12.454 -0.252 -6.363 360 H LEU 44 HN LEU 44 -12.623 -2.682 -2.980 361 HA LEU 44 HA LEU 44 -11.566 -4.827 -4.764 362 HB2 LEU 44 HB2 LEU 44 -10.299 -3.627 -2.290 363 HB3 LEU 44 HB3 LEU 44 -9.621 -4.893 -3.322 364 HG LEU 44 HG LEU 44 -10.148 -2.042 -4.261 365 HD11 LEU 44 HD11 LEU 44 -7.559 -3.380 -3.406 366 HD12 LEU 44 HD12 LEU 44 -8.448 -2.141 -2.515 367 HD13 LEU 44 HD13 LEU 44 -7.777 -1.755 -4.090 368 HD21 LEU 44 HD21 LEU 44 -9.058 -4.511 -5.625 369 HD22 LEU 44 HD22 LEU 44 -8.481 -2.891 -6.082 370 HD23 LEU 44 HD23 LEU 44 -10.191 -3.299 -6.220 371 H LYS 45 HN LYS 45 -13.998 -4.420 -2.714 372 HA LYS 45 HA LYS 45 -15.109 -5.581 -1.119 373 HB2 LYS 45 HB2 LYS 45 -13.787 -7.757 -2.756 374 HB3 LYS 45 HB3 LYS 45 -14.700 -8.214 -1.330 375 HG2 LYS 45 HG2 LYS 45 -16.678 -7.059 -2.105 376 HG3 LYS 45 HG3 LYS 45 -15.838 -6.429 -3.526 377 HD2 LYS 45 HD2 LYS 45 -15.837 -9.412 -3.163 378 HD3 LYS 45 HD3 LYS 45 -17.382 -8.646 -3.517 379 HE2 LYS 45 HE2 LYS 45 -16.302 -9.397 -5.562 380 HE3 LYS 45 HE3 LYS 45 -16.560 -7.646 -5.548 381 HZ1 LYS 45 HZ1 LYS 45 -14.255 -7.333 -5.075 382 HZ2 LYS 45 HZ2 LYS 45 -14.452 -8.186 -6.418 383 HZ3 LYS 45 HZ3 LYS 45 -13.954 -8.986 -5.073 384 H LEU 46 HN LEU 46 -12.393 -4.600 -0.288 385 HA LEU 46 HA LEU 46 -11.549 -6.696 1.675 386 HB2 LEU 46 HB2 LEU 46 -10.218 -4.291 0.441 387 HB3 LEU 46 HB3 LEU 46 -9.638 -4.877 1.993 388 HG LEU 46 HG LEU 46 -10.021 -6.869 -0.258 389 HD11 LEU 46 HD11 LEU 46 -8.640 -5.682 -1.550 390 HD12 LEU 46 HD12 LEU 46 -7.357 -6.352 -0.533 391 HD13 LEU 46 HD13 LEU 46 -7.992 -4.703 -0.266 392 HD21 LEU 46 HD21 LEU 46 -8.066 -6.726 2.069 393 HD22 LEU 46 HD22 LEU 46 -8.153 -8.024 0.880 394 HD23 LEU 46 HD23 LEU 46 -9.528 -7.749 1.962 395 H SER 47 HN SER 47 -11.076 -5.951 3.920 396 HA SER 47 HA SER 47 -13.162 -4.121 4.926 397 HB2 SER 47 HB2 SER 47 -10.906 -5.595 6.323 398 HB3 SER 47 HB3 SER 47 -12.131 -4.624 7.129 399 HG SER 47 HG SER 47 -13.656 -6.075 6.627 400 H GLU 48 HN GLU 48 -12.635 -2.117 5.924 401 HA GLU 48 HA GLU 48 -10.696 -0.438 4.743 402 HB2 GLU 48 HB2 GLU 48 -11.844 -0.290 7.545 403 HB3 GLU 48 HB3 GLU 48 -11.166 1.063 6.649 404 HG2 GLU 48 HG2 GLU 48 -13.101 1.363 5.395 405 HG3 GLU 48 HG3 GLU 48 -13.570 -0.334 5.478 406 H VAL 49 HN VAL 49 -10.566 -2.541 7.594 407 HA VAL 49 HA VAL 49 -8.125 -1.547 8.707 408 HB VAL 49 HB VAL 49 -9.542 -4.261 8.911 409 HG11 VAL 49 HG11 VAL 49 -8.332 -4.515 11.098 410 HG12 VAL 49 HG12 VAL 49 -7.296 -4.645 9.678 411 HG13 VAL 49 HG13 VAL 49 -7.289 -3.160 10.651 412 HG21 VAL 49 HG21 VAL 49 -10.413 -3.384 11.060 413 HG22 VAL 49 HG22 VAL 49 -9.632 -1.825 10.748 414 HG23 VAL 49 HG23 VAL 49 -10.938 -2.411 9.694 415 H GLN 50 HN GLN 50 -8.808 -4.230 6.394 416 HA GLN 50 HA GLN 50 -6.157 -5.238 6.196 417 HB2 GLN 50 HB2 GLN 50 -8.319 -5.056 4.057 418 HB3 GLN 50 HB3 GLN 50 -6.924 -6.115 4.031 419 HG2 GLN 50 HG2 GLN 50 -8.922 -6.328 6.301 420 HG3 GLN 50 HG3 GLN 50 -9.297 -7.014 4.728 421 HE21 GLN 50 HE21 GLN 50 -8.303 -8.949 4.092 422 HE22 GLN 50 HE22 GLN 50 -7.319 -9.850 5.217 423 H VAL 51 HN VAL 51 -7.971 -2.736 4.381 424 HA VAL 51 HA VAL 51 -5.934 -1.947 2.676 425 HB VAL 51 HB VAL 51 -8.294 -0.320 3.708 426 HG11 VAL 51 HG11 VAL 51 -6.691 0.044 1.143 427 HG12 VAL 51 HG12 VAL 51 -8.158 0.921 1.597 428 HG13 VAL 51 HG13 VAL 51 -6.700 1.152 2.540 429 HG21 VAL 51 HG21 VAL 51 -9.488 -1.050 1.729 430 HG22 VAL 51 HG22 VAL 51 -8.084 -1.968 1.153 431 HG23 VAL 51 HG23 VAL 51 -8.975 -2.480 2.600 432 H LYS 52 HN LYS 52 -6.875 -0.447 5.825 433 HA LYS 52 HA LYS 52 -4.902 1.570 5.762 434 HB2 LYS 52 HB2 LYS 52 -5.662 2.205 7.790 435 HB3 LYS 52 HB3 LYS 52 -6.996 1.183 7.333 436 HG2 LYS 52 HG2 LYS 52 -5.895 -0.655 8.692 437 HG3 LYS 52 HG3 LYS 52 -4.746 0.549 9.263 438 HD2 LYS 52 HD2 LYS 52 -6.419 1.775 10.429 439 HD3 LYS 52 HD3 LYS 52 -7.738 1.033 9.490 440 HE2 LYS 52 HE2 LYS 52 -7.213 -1.161 10.470 441 HE3 LYS 52 HE3 LYS 52 -5.985 -0.434 11.513 442 HZ1 LYS 52 HZ1 LYS 52 -7.645 0.667 12.733 443 HZ2 LYS 52 HZ2 LYS 52 -8.292 -0.787 12.491 444 HZ3 LYS 52 HZ3 LYS 52 -8.804 0.486 11.596 445 H ILE 53 HN ILE 53 -4.580 -1.817 6.631 446 HA ILE 53 HA ILE 53 -1.966 -1.430 7.833 447 HB ILE 53 HB ILE 53 -3.393 -3.969 6.944 448 HG12 ILE 53 HG12 ILE 53 -2.921 -3.078 9.816 449 HG13 ILE 53 HG13 ILE 53 -4.329 -2.511 8.957 450 HG21 ILE 53 HG21 ILE 53 -0.892 -3.619 8.669 451 HG22 ILE 53 HG22 ILE 53 -1.722 -5.161 8.379 452 HG23 ILE 53 HG23 ILE 53 -0.940 -4.338 7.048 453 HD11 ILE 53 HD11 ILE 53 -3.647 -5.428 9.469 454 HD12 ILE 53 HD12 ILE 53 -4.905 -4.472 10.256 455 HD13 ILE 53 HD13 ILE 53 -5.039 -4.864 8.531 456 H TRP 54 HN TRP 54 -3.094 -2.426 4.492 457 HA TRP 54 HA TRP 54 -0.364 -3.016 3.740 458 HB2 TRP 54 HB2 TRP 54 -2.468 -3.789 2.611 459 HB3 TRP 54 HB3 TRP 54 -2.537 -2.223 1.831 460 HD1 TRP 54 HD1 TRP 54 -1.362 -5.581 1.309 461 HE1 TRP 54 HE1 TRP 54 0.147 -5.793 -0.701 462 HE3 TRP 54 HE3 TRP 54 -0.600 -0.616 0.389 463 HZ2 TRP 54 HZ2 TRP 54 1.472 -3.990 -2.601 464 HZ3 TRP 54 HZ3 TRP 54 0.588 0.099 -1.658 465 HH2 TRP 54 HH2 TRP 54 1.639 -1.580 -3.147 466 H PHE 55 HN PHE 55 -2.399 -0.047 3.336 467 HA PHE 55 HA PHE 55 -0.572 1.535 1.901 468 HB2 PHE 55 HB2 PHE 55 -2.764 2.185 3.875 469 HB3 PHE 55 HB3 PHE 55 -1.658 3.454 3.410 470 HD1 PHE 55 HD1 PHE 55 -1.533 4.336 1.064 471 HD2 PHE 55 HD2 PHE 55 -4.467 1.441 2.295 472 HE1 PHE 55 HE1 PHE 55 -2.853 4.710 -1.029 473 HE2 PHE 55 HE2 PHE 55 -5.698 1.778 0.180 474 HZ PHE 55 HZ PHE 55 -4.886 3.415 -1.486 475 H GLN 56 HN GLN 56 -0.852 1.251 5.486 476 HA GLN 56 HA GLN 56 1.363 2.943 6.022 477 HB2 GLN 56 HB2 GLN 56 1.359 2.036 8.221 478 HB3 GLN 56 HB3 GLN 56 -0.358 2.294 7.738 479 HG2 GLN 56 HG2 GLN 56 -0.548 -0.019 7.285 480 HG3 GLN 56 HG3 GLN 56 1.114 -0.317 7.842 481 HE21 GLN 56 HE21 GLN 56 -2.129 0.723 8.851 482 HE22 GLN 56 HE22 GLN 56 -1.964 0.064 10.484 483 H ASN 57 HN ASN 57 1.277 -0.577 5.435 484 HA ASN 57 HA ASN 57 3.918 -1.111 6.442 485 HB2 ASN 57 HB2 ASN 57 1.815 -2.603 4.795 486 HB3 ASN 57 HB3 ASN 57 3.473 -3.115 4.689 487 HD21 ASN 57 HD21 ASN 57 0.872 -2.550 7.068 488 HD22 ASN 57 HD22 ASN 57 1.552 -3.518 8.341 489 H GLU 58 HN GLU 58 2.488 -0.288 3.395 490 HA GLU 58 HA GLU 58 4.964 -0.816 1.929 491 HB2 GLU 58 HB2 GLU 58 2.440 -1.023 1.148 492 HB3 GLU 58 HB3 GLU 58 2.619 0.684 0.740 493 HG2 GLU 58 HG2 GLU 58 3.216 -0.435 -1.255 494 HG3 GLU 58 HG3 GLU 58 4.749 -0.019 -0.522 495 H ARG 59 HN ARG 59 3.274 2.057 3.207 496 HA ARG 59 HA ARG 59 5.120 3.907 2.069 497 HB2 ARG 59 HB2 ARG 59 2.854 4.416 3.252 498 HB3 ARG 59 HB3 ARG 59 3.799 4.393 4.735 499 HG2 ARG 59 HG2 ARG 59 3.622 6.670 3.963 500 HG3 ARG 59 HG3 ARG 59 5.305 6.191 3.742 501 HD2 ARG 59 HD2 ARG 59 5.070 5.994 1.382 502 HD3 ARG 59 HD3 ARG 59 3.306 5.831 1.511 503 HE ARG 59 HE ARG 59 4.401 8.450 2.282 504 HH11 ARG 59 HH11 ARG 59 3.117 6.446 -0.371 505 HH12 ARG 59 HH12 ARG 59 2.292 7.721 -1.138 506 HH21 ARG 59 HH21 ARG 59 3.506 10.204 1.150 507 HH22 ARG 59 HH22 ARG 59 2.659 10.010 -0.352 508 H ALA 60 HN ALA 60 5.268 1.913 4.951 509 HA ALA 60 HA ALA 60 7.549 3.249 6.132 510 HB1 ALA 60 HB1 ALA 60 7.730 1.193 7.516 511 HB2 ALA 60 HB2 ALA 60 6.078 1.834 7.492 512 HB3 ALA 60 HB3 ALA 60 6.498 0.404 6.526 513 H LYS 61 HN LYS 61 7.226 0.269 4.069 514 HA LYS 61 HA LYS 61 10.070 -0.069 3.961 515 HB2 LYS 61 HB2 LYS 61 9.743 -1.860 2.632 516 HB3 LYS 61 HB3 LYS 61 8.117 -1.738 3.297 517 HG2 LYS 61 HG2 LYS 61 7.361 -0.589 1.231 518 HG3 LYS 61 HG3 LYS 61 9.010 -0.699 0.574 519 HD2 LYS 61 HD2 LYS 61 8.880 -3.186 0.712 520 HD3 LYS 61 HD3 LYS 61 7.187 -3.028 1.254 521 HE2 LYS 61 HE2 LYS 61 6.743 -1.637 -0.803 522 HE3 LYS 61 HE3 LYS 61 8.396 -1.977 -1.349 523 HZ1 LYS 61 HZ1 LYS 61 6.887 -3.412 -2.392 524 HZ2 LYS 61 HZ2 LYS 61 6.189 -3.878 -0.991 525 HZ3 LYS 61 HZ3 LYS 61 7.799 -4.309 -1.369 526 H TRP 62 HN TRP 62 7.832 1.760 1.813 527 HA TRP 62 HA TRP 62 9.910 2.427 -0.056 528 HB2 TRP 62 HB2 TRP 62 7.319 2.579 -0.281 529 HB3 TRP 62 HB3 TRP 62 7.500 4.162 0.458 530 HD1 TRP 62 HD1 TRP 62 8.032 2.223 -2.771 531 HE1 TRP 62 HE1 TRP 62 8.934 3.692 -4.633 532 HE3 TRP 62 HE3 TRP 62 9.084 6.425 -0.067 533 HZ2 TRP 62 HZ2 TRP 62 9.429 6.502 -5.046 534 HZ3 TRP 62 HZ3 TRP 62 10.011 8.422 -1.259 535 HH2 TRP 62 HH2 TRP 62 10.034 8.505 -3.723 536 H LYS 63 HN LYS 63 8.879 3.899 3.055 537 HA LYS 63 HA LYS 63 10.333 6.307 2.725 538 HB2 LYS 63 HB2 LYS 63 9.091 4.794 4.983 539 HB3 LYS 63 HB3 LYS 63 10.465 5.717 5.472 540 HG2 LYS 63 HG2 LYS 63 8.825 7.394 3.703 541 HG3 LYS 63 HG3 LYS 63 7.794 6.608 4.872 542 HD2 LYS 63 HD2 LYS 63 8.487 8.679 5.814 543 HD3 LYS 63 HD3 LYS 63 9.374 7.455 6.709 544 HE2 LYS 63 HE2 LYS 63 10.586 8.851 4.274 545 HE3 LYS 63 HE3 LYS 63 10.541 9.638 5.848 546 HZ1 LYS 63 HZ1 LYS 63 11.801 7.753 6.750 547 HZ2 LYS 63 HZ2 LYS 63 12.580 8.683 5.667 548 HZ3 LYS 63 HZ3 LYS 63 12.064 7.207 5.188 549 H ARG 64 HN ARG 64 11.650 3.112 3.231 550 HA ARG 64 HA ARG 64 14.226 4.236 4.133 551 HB2 ARG 64 HB2 ARG 64 13.380 1.387 3.406 552 HB3 ARG 64 HB3 ARG 64 14.998 1.872 3.969 553 HG2 ARG 64 HG2 ARG 64 13.733 2.954 5.983 554 HG3 ARG 64 HG3 ARG 64 12.362 1.977 5.466 555 HD2 ARG 64 HD2 ARG 64 13.174 0.315 6.719 556 HD3 ARG 64 HD3 ARG 64 14.449 0.108 5.509 557 HE ARG 64 HE ARG 64 15.274 2.155 7.274 558 HH11 ARG 64 HH11 ARG 64 14.568 -1.330 7.439 559 HH12 ARG 64 HH12 ARG 64 15.578 -1.598 8.820 560 HH21 ARG 64 HH21 ARG 64 16.574 1.780 9.205 561 HH22 ARG 64 HH22 ARG 64 16.864 0.195 9.748 562 H ILE 65 HN ILE 65 12.660 3.987 1.173 563 HA ILE 65 HA ILE 65 15.086 3.663 -0.453 564 HB ILE 65 HB ILE 65 12.269 4.459 -1.337 565 HG12 ILE 65 HG12 ILE 65 13.592 1.727 -1.154 566 HG13 ILE 65 HG13 ILE 65 12.237 2.303 -0.183 567 HG21 ILE 65 HG21 ILE 65 13.862 5.065 -2.994 568 HG22 ILE 65 HG22 ILE 65 14.730 3.530 -2.837 569 HG23 ILE 65 HG23 ILE 65 13.082 3.627 -3.574 570 HD11 ILE 65 HD11 ILE 65 11.299 0.854 -1.805 571 HD12 ILE 65 HD12 ILE 65 10.882 2.507 -2.317 572 HD13 ILE 65 HD13 ILE 65 12.187 1.613 -3.132 573 H LYS 66 HN LYS 66 13.424 6.232 1.177 574 HA LYS 66 HA LYS 66 14.359 8.421 -0.401 575 HB2 LYS 66 HB2 LYS 66 12.502 8.339 1.411 576 HB3 LYS 66 HB3 LYS 66 13.819 8.664 2.543 577 HG2 LYS 66 HG2 LYS 66 13.242 10.342 0.126 578 HG3 LYS 66 HG3 LYS 66 12.642 10.626 1.761 579 HD2 LYS 66 HD2 LYS 66 15.189 10.493 2.464 580 HD3 LYS 66 HD3 LYS 66 15.507 10.891 0.765 581 HE2 LYS 66 HE2 LYS 66 13.519 12.313 2.501 582 HE3 LYS 66 HE3 LYS 66 15.221 12.777 2.593 583 HZ1 LYS 66 HZ1 LYS 66 15.250 13.563 0.445 584 HZ2 LYS 66 HZ2 LYS 66 13.787 14.085 0.931 585 HZ3 LYS 66 HZ3 LYS 66 13.941 12.775 -0.068 586 H ALA 67 HN ALA 67 16.397 7.531 -0.897 587 HA ALA 67 HA ALA 67 18.459 7.162 0.981 588 HB1 ALA 67 HB1 ALA 67 18.240 6.200 -1.364 589 HB2 ALA 67 HB2 ALA 67 18.817 7.774 -1.971 590 HB3 ALA 67 HB3 ALA 67 19.833 6.784 -0.905 591 H GLY 68 HN GLY 68 17.316 9.885 -0.932 592 HA2 GLY 68 HA1 GLY 68 17.508 12.139 -0.678 593 HA3 GLY 68 HA2 GLY 68 18.407 11.884 0.818 594 H ASN 69 HN ASN 69 19.701 10.310 -2.090 595 HA ASN 69 HA ASN 69 21.131 12.444 -3.172 596 HB2 ASN 69 HB2 ASN 69 22.634 12.137 -1.249 597 HB3 ASN 69 HB3 ASN 69 22.746 10.410 -1.569 598 HD21 ASN 69 HD21 ASN 69 23.427 13.667 -3.059 599 HD22 ASN 69 HD22 ASN 69 24.649 13.056 -4.148 600 H VAL 70 HN VAL 70 21.949 11.754 -5.111 601 HA VAL 70 HA VAL 70 20.842 9.377 -6.351 602 HB VAL 70 HB VAL 70 21.941 10.255 -8.365 603 HG11 VAL 70 HG11 VAL 70 19.757 11.091 -7.875 604 HG12 VAL 70 HG12 VAL 70 20.371 12.295 -6.723 605 HG13 VAL 70 HG13 VAL 70 20.735 12.453 -8.437 606 HG21 VAL 70 HG21 VAL 70 24.017 11.213 -7.395 607 HG22 VAL 70 HG22 VAL 70 23.143 12.395 -8.362 608 HG23 VAL 70 HG23 VAL 70 23.084 12.474 -6.592 609 H SER 71 HN SER 71 22.598 8.615 -4.127 610 HA SER 71 HA SER 71 25.275 8.214 -4.939 611 HB2 SER 71 HB2 SER 71 23.562 6.745 -2.922 612 HB3 SER 71 HB3 SER 71 25.294 6.471 -3.088 613 HG SER 71 HG SER 71 24.517 9.129 -2.803 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 28.413 -16.267 10.941 2 HA2 GLY 1 HA1 GLY 1 26.087 -17.079 11.056 3 HA3 GLY 1 HA2 GLY 1 26.228 -15.454 10.353 4 H ALA 2 HN ALA 2 23.978 -17.022 9.896 5 HA ALA 2 HA ALA 2 24.154 -17.434 6.957 6 HB1 ALA 2 HB1 ALA 2 22.280 -18.757 8.979 7 HB2 ALA 2 HB2 ALA 2 22.275 -19.005 7.237 8 HB3 ALA 2 HB3 ALA 2 23.662 -19.539 8.186 9 HA PRO 3 HA PRO 3 21.010 -14.188 6.899 10 HB2 PRO 3 HB2 PRO 3 19.166 -15.060 5.063 11 HB3 PRO 3 HB3 PRO 3 20.759 -14.387 4.638 12 HG2 PRO 3 HG2 PRO 3 20.012 -17.317 4.894 13 HG3 PRO 3 HG3 PRO 3 20.884 -16.506 3.554 14 HD2 PRO 3 HD2 PRO 3 22.215 -17.821 5.487 15 HD3 PRO 3 HD3 PRO 3 22.848 -16.263 4.869 16 H GLY 4 HN GLY 4 18.941 -13.709 7.831 17 HA2 GLY 4 HA1 GLY 4 18.049 -15.704 9.780 18 HA3 GLY 4 HA2 GLY 4 17.444 -14.031 9.573 19 H GLY 5 HN GLY 5 16.854 -14.226 6.755 20 HA2 GLY 5 HA1 GLY 5 15.219 -14.731 5.360 21 HA3 GLY 5 HA2 GLY 5 15.431 -16.421 5.891 22 H LYS 6 HN LYS 6 13.461 -17.207 6.339 23 HA LYS 6 HA LYS 6 11.277 -17.431 6.916 24 HB2 LYS 6 HB2 LYS 6 12.460 -16.078 9.360 25 HB3 LYS 6 HB3 LYS 6 10.886 -16.869 9.339 26 HG2 LYS 6 HG2 LYS 6 11.951 -18.961 8.516 27 HG3 LYS 6 HG3 LYS 6 13.544 -18.208 8.686 28 HD2 LYS 6 HD2 LYS 6 13.242 -18.044 11.117 29 HD3 LYS 6 HD3 LYS 6 11.574 -18.660 10.969 30 HE2 LYS 6 HE2 LYS 6 12.616 -20.684 9.744 31 HE3 LYS 6 HE3 LYS 6 14.174 -20.083 10.288 32 HZ1 LYS 6 HZ1 LYS 6 13.338 -21.780 11.747 33 HZ2 LYS 6 HZ2 LYS 6 11.940 -20.944 11.999 34 HZ3 LYS 6 HZ3 LYS 6 13.380 -20.371 12.580 35 H SER 7 HN SER 7 11.873 -14.892 5.435 36 HA SER 7 HA SER 7 9.433 -13.346 6.057 37 HB2 SER 7 HB2 SER 7 12.255 -12.191 5.916 38 HB3 SER 7 HB3 SER 7 10.748 -11.292 6.182 39 HG SER 7 HG SER 7 12.144 -13.028 7.883 40 H ARG 8 HN ARG 8 8.730 -14.346 4.042 41 HA ARG 8 HA ARG 8 9.609 -12.656 1.751 42 HB2 ARG 8 HB2 ARG 8 8.778 -15.585 1.548 43 HB3 ARG 8 HB3 ARG 8 9.009 -14.503 0.175 44 HG2 ARG 8 HG2 ARG 8 11.412 -14.187 0.885 45 HG3 ARG 8 HG3 ARG 8 11.145 -15.414 2.131 46 HD2 ARG 8 HD2 ARG 8 12.128 -16.584 0.361 47 HD3 ARG 8 HD3 ARG 8 10.422 -17.000 0.273 48 HE ARG 8 HE ARG 8 10.244 -15.249 -1.534 49 HH11 ARG 8 HH11 ARG 8 13.278 -17.133 -1.110 50 HH12 ARG 8 HH12 ARG 8 13.858 -16.794 -2.682 51 HH21 ARG 8 HH21 ARG 8 10.996 -14.842 -3.594 52 HH22 ARG 8 HH22 ARG 8 12.533 -15.465 -4.146 53 H ARG 9 HN ARG 9 7.204 -13.388 3.778 54 HA ARG 9 HA ARG 9 5.019 -12.732 1.820 55 HB2 ARG 9 HB2 ARG 9 4.914 -14.013 4.589 56 HB3 ARG 9 HB3 ARG 9 3.509 -13.333 3.780 57 HG2 ARG 9 HG2 ARG 9 3.296 -15.500 3.082 58 HG3 ARG 9 HG3 ARG 9 4.201 -14.827 1.742 59 HD2 ARG 9 HD2 ARG 9 5.627 -16.507 1.993 60 HD3 ARG 9 HD3 ARG 9 6.236 -15.703 3.418 61 HE ARG 9 HE ARG 9 4.642 -16.998 4.784 62 HH11 ARG 9 HH11 ARG 9 5.333 -18.297 1.519 63 HH12 ARG 9 HH12 ARG 9 4.635 -19.833 1.847 64 HH21 ARG 9 HH21 ARG 9 3.879 -19.167 5.254 65 HH22 ARG 9 HH22 ARG 9 3.837 -20.299 3.952 66 H ARG 10 HN ARG 10 4.751 -10.606 1.599 67 HA ARG 10 HA ARG 10 3.924 -9.111 3.980 68 HB2 ARG 10 HB2 ARG 10 6.017 -7.994 2.068 69 HB3 ARG 10 HB3 ARG 10 4.998 -7.014 3.108 70 HG2 ARG 10 HG2 ARG 10 5.938 -8.336 5.108 71 HG3 ARG 10 HG3 ARG 10 7.213 -8.873 3.977 72 HD2 ARG 10 HD2 ARG 10 7.572 -6.425 3.391 73 HD3 ARG 10 HD3 ARG 10 6.376 -6.009 4.609 74 HE ARG 10 HE ARG 10 7.775 -6.565 6.357 75 HH11 ARG 10 HH11 ARG 10 9.534 -6.441 3.213 76 HH12 ARG 10 HH12 ARG 10 10.922 -5.749 3.942 77 HH21 ARG 10 HH21 ARG 10 9.662 -5.649 7.227 78 HH22 ARG 10 HH22 ARG 10 11.015 -5.283 6.219 79 H ARG 11 HN ARG 11 2.578 -10.485 1.615 80 HA ARG 11 HA ARG 11 1.036 -8.206 0.619 81 HB2 ARG 11 HB2 ARG 11 3.132 -9.302 -0.997 82 HB3 ARG 11 HB3 ARG 11 1.654 -10.008 -1.605 83 HG2 ARG 11 HG2 ARG 11 1.501 -8.184 -2.850 84 HG3 ARG 11 HG3 ARG 11 0.871 -7.372 -1.431 85 HD2 ARG 11 HD2 ARG 11 3.067 -6.440 -0.904 86 HD3 ARG 11 HD3 ARG 11 3.843 -7.394 -2.160 87 HE ARG 11 HE ARG 11 2.617 -4.850 -2.465 88 HH11 ARG 11 HH11 ARG 11 3.168 -7.874 -4.258 89 HH12 ARG 11 HH12 ARG 11 2.509 -7.304 -5.745 90 HH21 ARG 11 HH21 ARG 11 2.265 -3.905 -4.554 91 HH22 ARG 11 HH22 ARG 11 2.216 -4.890 -5.969 92 H THR 12 HN THR 12 -0.942 -9.105 -0.705 93 HA THR 12 HA THR 12 -1.783 -11.740 0.355 94 HB THR 12 HB THR 12 -3.695 -9.511 0.806 95 HG1 THR 12 HG1 THR 12 -1.903 -8.539 1.695 96 HG21 THR 12 HG21 THR 12 -4.263 -10.825 2.769 97 HG22 THR 12 HG22 THR 12 -2.827 -11.852 2.562 98 HG23 THR 12 HG23 THR 12 -4.155 -11.927 1.395 99 H ALA 13 HN ALA 13 -4.468 -11.771 -0.396 100 HA ALA 13 HA ALA 13 -4.210 -11.975 -3.280 101 HB1 ALA 13 HB1 ALA 13 -6.456 -12.977 -3.129 102 HB2 ALA 13 HB2 ALA 13 -5.276 -13.769 -2.063 103 HB3 ALA 13 HB3 ALA 13 -6.467 -12.630 -1.385 104 H PHE 14 HN PHE 14 -3.905 -9.801 -3.829 105 HA PHE 14 HA PHE 14 -6.355 -8.099 -3.859 106 HB2 PHE 14 HB2 PHE 14 -3.409 -7.393 -4.140 107 HB3 PHE 14 HB3 PHE 14 -4.662 -6.337 -4.659 108 HD1 PHE 14 HD1 PHE 14 -4.511 -8.349 -1.429 109 HD2 PHE 14 HD2 PHE 14 -4.368 -4.488 -3.265 110 HE1 PHE 14 HE1 PHE 14 -4.438 -7.342 0.796 111 HE2 PHE 14 HE2 PHE 14 -4.287 -3.451 -0.990 112 HZ PHE 14 HZ PHE 14 -4.321 -4.879 1.008 113 H THR 15 HN THR 15 -7.380 -8.213 -5.871 114 HA THR 15 HA THR 15 -6.066 -9.591 -8.052 115 HB THR 15 HB THR 15 -8.174 -8.813 -9.272 116 HG1 THR 15 HG1 THR 15 -9.874 -8.282 -7.629 117 HG21 THR 15 HG21 THR 15 -9.523 -10.497 -8.156 118 HG22 THR 15 HG22 THR 15 -8.602 -10.309 -6.648 119 HG23 THR 15 HG23 THR 15 -7.834 -11.020 -8.089 120 H SER 16 HN SER 16 -5.730 -8.537 -10.165 121 HA SER 16 HA SER 16 -3.985 -6.362 -9.997 122 HB2 SER 16 HB2 SER 16 -5.611 -7.236 -12.396 123 HB3 SER 16 HB3 SER 16 -3.955 -6.560 -12.366 124 HG SER 16 HG SER 16 -3.867 -8.831 -12.655 125 H GLU 17 HN GLU 17 -7.436 -6.568 -10.558 126 HA GLU 17 HA GLU 17 -8.169 -4.025 -11.476 127 HB2 GLU 17 HB2 GLU 17 -9.513 -6.019 -9.590 128 HB3 GLU 17 HB3 GLU 17 -10.355 -4.663 -10.350 129 HG2 GLU 17 HG2 GLU 17 -10.453 -5.650 -12.412 130 HG3 GLU 17 HG3 GLU 17 -8.891 -6.422 -12.274 131 H GLN 18 HN GLN 18 -7.124 -5.043 -8.252 132 HA GLN 18 HA GLN 18 -8.032 -2.543 -6.955 133 HB2 GLN 18 HB2 GLN 18 -6.367 -4.683 -5.618 134 HB3 GLN 18 HB3 GLN 18 -7.537 -3.598 -4.910 135 HG2 GLN 18 HG2 GLN 18 -9.288 -4.908 -6.350 136 HG3 GLN 18 HG3 GLN 18 -7.973 -6.057 -6.573 137 HE21 GLN 18 HE21 GLN 18 -10.644 -5.955 -4.947 138 HE22 GLN 18 HE22 GLN 18 -10.208 -6.273 -3.334 139 H LEU 19 HN LEU 19 -5.076 -4.310 -7.982 140 HA LEU 19 HA LEU 19 -3.212 -2.565 -6.662 141 HB2 LEU 19 HB2 LEU 19 -2.902 -4.316 -9.132 142 HB3 LEU 19 HB3 LEU 19 -1.580 -3.547 -8.262 143 HG LEU 19 HG LEU 19 -3.386 -5.702 -7.085 144 HD11 LEU 19 HD11 LEU 19 -0.580 -5.655 -8.293 145 HD12 LEU 19 HD12 LEU 19 -2.014 -6.520 -8.866 146 HD13 LEU 19 HD13 LEU 19 -1.244 -7.025 -7.371 147 HD21 LEU 19 HD21 LEU 19 -1.793 -5.839 -5.275 148 HD22 LEU 19 HD22 LEU 19 -2.417 -4.190 -5.348 149 HD23 LEU 19 HD23 LEU 19 -0.797 -4.551 -6.002 150 H LEU 20 HN LEU 20 -5.014 -2.276 -9.620 151 HA LEU 20 HA LEU 20 -3.511 -0.267 -10.961 152 HB2 LEU 20 HB2 LEU 20 -6.136 -1.568 -11.113 153 HB3 LEU 20 HB3 LEU 20 -6.369 0.150 -11.187 154 HG LEU 20 HG LEU 20 -6.204 -0.794 -13.385 155 HD11 LEU 20 HD11 LEU 20 -4.501 0.648 -14.381 156 HD12 LEU 20 HD12 LEU 20 -3.710 0.852 -12.813 157 HD13 LEU 20 HD13 LEU 20 -5.359 1.487 -13.072 158 HD21 LEU 20 HD21 LEU 20 -4.877 -2.773 -12.919 159 HD22 LEU 20 HD22 LEU 20 -3.430 -1.771 -12.694 160 HD23 LEU 20 HD23 LEU 20 -4.206 -1.858 -14.285 161 H GLU 21 HN GLU 21 -6.206 -0.094 -8.644 162 HA GLU 21 HA GLU 21 -6.295 2.779 -8.701 163 HB2 GLU 21 HB2 GLU 21 -7.664 0.870 -6.770 164 HB3 GLU 21 HB3 GLU 21 -8.181 2.490 -7.240 165 HG2 GLU 21 HG2 GLU 21 -8.210 -0.008 -8.971 166 HG3 GLU 21 HG3 GLU 21 -9.590 0.829 -8.294 167 H LEU 22 HN LEU 22 -4.899 0.363 -6.630 168 HA LEU 22 HA LEU 22 -4.224 2.116 -4.393 169 HB2 LEU 22 HB2 LEU 22 -3.566 -0.691 -5.284 170 HB3 LEU 22 HB3 LEU 22 -2.544 0.044 -4.088 171 HG LEU 22 HG LEU 22 -4.173 0.106 -2.431 172 HD11 LEU 22 HD11 LEU 22 -6.593 -0.275 -2.770 173 HD12 LEU 22 HD12 LEU 22 -6.328 -0.274 -4.525 174 HD13 LEU 22 HD13 LEU 22 -6.051 1.192 -3.576 175 HD21 LEU 22 HD21 LEU 22 -4.808 -2.338 -4.139 176 HD22 LEU 22 HD22 LEU 22 -5.225 -2.164 -2.444 177 HD23 LEU 22 HD23 LEU 22 -3.513 -2.212 -2.934 178 H ARG 23 HN ARG 23 -2.780 1.633 -7.461 179 HA ARG 23 HA ARG 23 -0.145 2.788 -6.695 180 HB2 ARG 23 HB2 ARG 23 -1.358 1.855 -9.315 181 HB3 ARG 23 HB3 ARG 23 0.106 2.815 -9.247 182 HG2 ARG 23 HG2 ARG 23 1.302 1.111 -8.033 183 HG3 ARG 23 HG3 ARG 23 -0.167 0.156 -7.765 184 HD2 ARG 23 HD2 ARG 23 -0.265 -0.621 -9.935 185 HD3 ARG 23 HD3 ARG 23 0.500 0.837 -10.604 186 HE ARG 23 HE ARG 23 2.440 -0.581 -9.109 187 HH11 ARG 23 HH11 ARG 23 0.717 -0.576 -12.201 188 HH12 ARG 23 HH12 ARG 23 2.015 -1.275 -13.098 189 HH21 ARG 23 HH21 ARG 23 4.126 -1.667 -10.258 190 HH22 ARG 23 HH22 ARG 23 3.983 -1.898 -11.972 191 H LYS 24 HN LYS 24 -3.216 3.564 -8.353 192 HA LYS 24 HA LYS 24 -2.251 6.227 -8.962 193 HB2 LYS 24 HB2 LYS 24 -4.843 4.753 -9.425 194 HB3 LYS 24 HB3 LYS 24 -4.834 6.506 -9.615 195 HG2 LYS 24 HG2 LYS 24 -2.777 4.731 -10.980 196 HG3 LYS 24 HG3 LYS 24 -4.336 5.106 -11.718 197 HD2 LYS 24 HD2 LYS 24 -3.849 7.423 -11.916 198 HD3 LYS 24 HD3 LYS 24 -2.527 7.341 -10.759 199 HE2 LYS 24 HE2 LYS 24 -1.472 7.609 -12.822 200 HE3 LYS 24 HE3 LYS 24 -1.227 5.921 -12.370 201 HZ1 LYS 24 HZ1 LYS 24 -3.020 5.340 -13.889 202 HZ2 LYS 24 HZ2 LYS 24 -1.813 6.099 -14.669 203 HZ3 LYS 24 HZ3 LYS 24 -3.177 6.943 -14.347 204 H GLU 25 HN GLU 25 -4.314 5.049 -6.258 205 HA GLU 25 HA GLU 25 -5.026 7.670 -5.365 206 HB2 GLU 25 HB2 GLU 25 -5.247 4.940 -4.393 207 HB3 GLU 25 HB3 GLU 25 -4.592 5.915 -3.092 208 HG2 GLU 25 HG2 GLU 25 -7.115 6.613 -4.640 209 HG3 GLU 25 HG3 GLU 25 -7.082 5.746 -3.110 210 H PHE 26 HN PHE 26 -2.002 5.947 -5.228 211 HA PHE 26 HA PHE 26 -0.951 7.163 -2.905 212 HB2 PHE 26 HB2 PHE 26 -0.256 5.057 -4.048 213 HB3 PHE 26 HB3 PHE 26 0.590 5.980 -5.261 214 HD1 PHE 26 HD1 PHE 26 0.557 5.089 -1.628 215 HD2 PHE 26 HD2 PHE 26 2.772 6.847 -4.878 216 HE1 PHE 26 HE1 PHE 26 2.598 5.159 -0.202 217 HE2 PHE 26 HE2 PHE 26 4.762 7.025 -3.436 218 HZ PHE 26 HZ PHE 26 4.673 6.223 -1.097 219 H HIS 27 HN HIS 27 -1.463 8.597 -5.929 220 HA HIS 27 HA HIS 27 0.442 10.816 -5.408 221 HB2 HIS 27 HB2 HIS 27 0.773 9.239 -7.456 222 HB3 HIS 27 HB3 HIS 27 -0.607 10.090 -8.139 223 HD1 HIS 27 HD1 HIS 27 -0.133 12.924 -8.312 224 HD2 HIS 27 HD2 HIS 27 3.090 10.326 -7.561 225 HE1 HIS 27 HE1 HIS 27 1.996 14.232 -8.877 226 H CYS 28 HN CYS 28 -2.378 10.338 -4.418 227 HA CYS 28 HA CYS 28 -3.497 12.923 -5.392 228 HB2 CYS 28 HB2 CYS 28 -5.106 10.403 -4.753 229 HB3 CYS 28 HB3 CYS 28 -5.761 12.005 -5.143 230 HG CYS 28 HG CYS 28 -4.394 12.198 -7.442 231 H LYS 29 HN LYS 29 -3.677 10.458 -2.745 232 HA LYS 29 HA LYS 29 -4.260 12.694 -0.870 233 HB2 LYS 29 HB2 LYS 29 -5.421 10.061 -1.262 234 HB3 LYS 29 HB3 LYS 29 -4.827 10.223 0.397 235 HG2 LYS 29 HG2 LYS 29 -6.152 12.198 0.761 236 HG3 LYS 29 HG3 LYS 29 -6.533 12.325 -0.961 237 HD2 LYS 29 HD2 LYS 29 -7.850 10.294 -0.895 238 HD3 LYS 29 HD3 LYS 29 -7.474 10.044 0.821 239 HE2 LYS 29 HE2 LYS 29 -8.664 12.016 1.474 240 HE3 LYS 29 HE3 LYS 29 -8.706 12.635 -0.194 241 HZ1 LYS 29 HZ1 LYS 29 -10.818 11.791 0.511 242 HZ2 LYS 29 HZ2 LYS 29 -10.244 10.326 0.835 243 HZ3 LYS 29 HZ3 LYS 29 -10.245 10.844 -0.739 244 H LYS 30 HN LYS 30 -3.114 13.039 0.913 245 HA LYS 30 HA LYS 30 -0.410 11.979 0.999 246 HB2 LYS 30 HB2 LYS 30 -0.115 13.397 2.988 247 HB3 LYS 30 HB3 LYS 30 -0.727 14.285 1.598 248 HG2 LYS 30 HG2 LYS 30 -2.981 13.358 3.195 249 HG3 LYS 30 HG3 LYS 30 -1.816 14.113 4.243 250 HD2 LYS 30 HD2 LYS 30 -2.759 15.482 1.710 251 HD3 LYS 30 HD3 LYS 30 -3.611 15.622 3.255 252 HE2 LYS 30 HE2 LYS 30 -1.668 16.556 4.360 253 HE3 LYS 30 HE3 LYS 30 -0.648 16.311 2.919 254 HZ1 LYS 30 HZ1 LYS 30 -1.507 18.609 3.241 255 HZ2 LYS 30 HZ2 LYS 30 -3.024 18.065 2.976 256 HZ3 LYS 30 HZ3 LYS 30 -1.873 17.988 1.782 257 H TYR 31 HN TYR 31 -3.438 11.212 2.736 258 HA TYR 31 HA TYR 31 -2.409 8.715 3.408 259 HB2 TYR 31 HB2 TYR 31 -2.669 8.788 5.873 260 HB3 TYR 31 HB3 TYR 31 -1.328 9.781 5.332 261 HD1 TYR 31 HD1 TYR 31 -4.827 9.854 6.640 262 HD2 TYR 31 HD2 TYR 31 -1.355 12.204 5.608 263 HE1 TYR 31 HE1 TYR 31 -5.856 11.850 7.681 264 HE2 TYR 31 HE2 TYR 31 -2.340 14.169 6.758 265 HH TYR 31 HH TYR 31 -4.046 14.682 8.433 266 H LEU 32 HN LEU 32 -4.154 7.356 4.319 267 HA LEU 32 HA LEU 32 -6.885 8.513 4.086 268 HB2 LEU 32 HB2 LEU 32 -5.778 5.684 3.879 269 HB3 LEU 32 HB3 LEU 32 -7.466 5.991 4.211 270 HG LEU 32 HG LEU 32 -7.545 7.412 2.084 271 HD11 LEU 32 HD11 LEU 32 -4.767 6.279 1.899 272 HD12 LEU 32 HD12 LEU 32 -5.337 7.937 1.572 273 HD13 LEU 32 HD13 LEU 32 -5.708 6.642 0.434 274 HD21 LEU 32 HD21 LEU 32 -6.829 4.445 1.833 275 HD22 LEU 32 HD22 LEU 32 -7.617 5.430 0.587 276 HD23 LEU 32 HD23 LEU 32 -8.456 5.145 2.101 277 H SER 33 HN SER 33 -7.822 9.017 5.925 278 HA SER 33 HA SER 33 -7.195 7.859 8.562 279 HB2 SER 33 HB2 SER 33 -9.418 9.744 7.612 280 HB3 SER 33 HB3 SER 33 -9.098 9.298 9.281 281 HG SER 33 HG SER 33 -8.149 11.261 8.786 282 H LEU 34 HN LEU 34 -9.489 7.204 9.747 283 HA LEU 34 HA LEU 34 -10.291 4.746 8.804 284 HB2 LEU 34 HB2 LEU 34 -11.368 6.778 10.754 285 HB3 LEU 34 HB3 LEU 34 -12.444 5.483 10.277 286 HG LEU 34 HG LEU 34 -11.191 5.065 12.334 287 HD11 LEU 34 HD11 LEU 34 -10.834 2.733 11.936 288 HD12 LEU 34 HD12 LEU 34 -10.457 2.992 10.213 289 HD13 LEU 34 HD13 LEU 34 -12.098 3.221 10.805 290 HD21 LEU 34 HD21 LEU 34 -8.992 6.014 11.694 291 HD22 LEU 34 HD22 LEU 34 -8.717 4.615 10.643 292 HD23 LEU 34 HD23 LEU 34 -8.892 4.406 12.399 293 H THR 35 HN THR 35 -12.263 7.770 8.482 294 HA THR 35 HA THR 35 -14.383 6.819 7.017 295 HB THR 35 HB THR 35 -12.792 9.388 6.700 296 HG1 THR 35 HG1 THR 35 -15.104 9.211 8.242 297 HG21 THR 35 HG21 THR 35 -14.403 9.305 4.867 298 HG22 THR 35 HG22 THR 35 -14.978 10.462 6.071 299 HG23 THR 35 HG23 THR 35 -15.707 8.836 5.968 300 H GLU 36 HN GLU 36 -11.333 8.106 5.694 301 HA GLU 36 HA GLU 36 -11.821 7.730 2.979 302 HB2 GLU 36 HB2 GLU 36 -9.083 7.391 4.140 303 HB3 GLU 36 HB3 GLU 36 -9.563 8.198 2.670 304 HG2 GLU 36 HG2 GLU 36 -9.793 9.137 5.544 305 HG3 GLU 36 HG3 GLU 36 -8.721 9.773 4.319 306 H ARG 37 HN ARG 37 -9.943 5.634 5.197 307 HA ARG 37 HA ARG 37 -9.539 3.640 3.182 308 HB2 ARG 37 HB2 ARG 37 -8.234 4.280 5.495 309 HB3 ARG 37 HB3 ARG 37 -9.168 2.881 6.062 310 HG2 ARG 37 HG2 ARG 37 -8.261 1.574 4.115 311 HG3 ARG 37 HG3 ARG 37 -7.329 2.965 3.610 312 HD2 ARG 37 HD2 ARG 37 -7.026 1.621 6.327 313 HD3 ARG 37 HD3 ARG 37 -6.034 1.245 4.921 314 HE ARG 37 HE ARG 37 -5.923 3.612 6.629 315 HH11 ARG 37 HH11 ARG 37 -4.915 2.305 3.476 316 HH12 ARG 37 HH12 ARG 37 -3.648 3.440 3.248 317 HH21 ARG 37 HH21 ARG 37 -4.252 5.150 6.305 318 HH22 ARG 37 HH22 ARG 37 -3.045 4.864 5.083 319 H SER 38 HN SER 38 -12.139 4.032 5.509 320 HA SER 38 HA SER 38 -13.135 1.353 5.374 321 HB2 SER 38 HB2 SER 38 -13.804 3.226 6.976 322 HB3 SER 38 HB3 SER 38 -14.776 3.913 5.664 323 HG SER 38 HG SER 38 -15.834 2.456 7.214 324 H GLN 39 HN GLN 39 -13.672 4.289 3.348 325 HA GLN 39 HA GLN 39 -15.480 3.072 1.519 326 HB2 GLN 39 HB2 GLN 39 -13.590 5.426 1.105 327 HB3 GLN 39 HB3 GLN 39 -14.928 4.988 0.045 328 HG2 GLN 39 HG2 GLN 39 -16.569 5.564 1.702 329 HG3 GLN 39 HG3 GLN 39 -15.375 5.658 2.983 330 HE21 GLN 39 HE21 GLN 39 -14.004 7.497 3.119 331 HE22 GLN 39 HE22 GLN 39 -14.285 8.965 2.188 332 H ILE 40 HN ILE 40 -11.967 3.810 1.155 333 HA ILE 40 HA ILE 40 -11.774 2.484 -1.364 334 HB ILE 40 HB ILE 40 -9.577 3.210 0.622 335 HG12 ILE 40 HG12 ILE 40 -10.633 5.259 0.236 336 HG13 ILE 40 HG13 ILE 40 -9.338 5.260 -0.931 337 HG21 ILE 40 HG21 ILE 40 -9.359 2.730 -2.380 338 HG22 ILE 40 HG22 ILE 40 -8.082 3.432 -1.366 339 HG23 ILE 40 HG23 ILE 40 -8.604 1.777 -1.089 340 HD11 ILE 40 HD11 ILE 40 -10.980 4.492 -2.670 341 HD12 ILE 40 HD12 ILE 40 -12.266 4.670 -1.455 342 HD13 ILE 40 HD13 ILE 40 -11.341 6.092 -1.978 343 H ALA 41 HN ALA 41 -12.160 1.108 1.559 344 HA ALA 41 HA ALA 41 -10.807 -1.476 0.857 345 HB1 ALA 41 HB1 ALA 41 -10.497 -0.871 3.159 346 HB2 ALA 41 HB2 ALA 41 -12.221 -0.572 3.386 347 HB3 ALA 41 HB3 ALA 41 -11.644 -2.219 3.099 348 H HIS 42 HN HIS 42 -14.106 -0.296 1.819 349 HA HIS 42 HA HIS 42 -15.285 -2.762 1.036 350 HB2 HIS 42 HB2 HIS 42 -16.191 -0.686 2.504 351 HB3 HIS 42 HB3 HIS 42 -16.973 -0.278 0.982 352 HD1 HIS 42 HD1 HIS 42 -17.305 -2.580 3.949 353 HD2 HIS 42 HD2 HIS 42 -18.570 -2.424 -0.072 354 HE1 HIS 42 HE1 HIS 42 -19.248 -4.169 3.748 355 H ALA 43 HN ALA 43 -14.620 0.218 -0.779 356 HA ALA 43 HA ALA 43 -16.156 -0.373 -3.132 357 HB1 ALA 43 HB1 ALA 43 -15.304 1.890 -2.571 358 HB2 ALA 43 HB2 ALA 43 -13.639 1.307 -2.786 359 HB3 ALA 43 HB3 ALA 43 -14.742 1.351 -4.166 360 H LEU 44 HN LEU 44 -13.119 -1.657 -1.915 361 HA LEU 44 HA LEU 44 -12.424 -2.808 -4.551 362 HB2 LEU 44 HB2 LEU 44 -10.523 -1.868 -2.359 363 HB3 LEU 44 HB3 LEU 44 -10.072 -2.669 -3.876 364 HG LEU 44 HG LEU 44 -11.358 0.108 -3.686 365 HD11 LEU 44 HD11 LEU 44 -8.531 -0.779 -4.397 366 HD12 LEU 44 HD12 LEU 44 -9.015 -0.038 -2.858 367 HD13 LEU 44 HD13 LEU 44 -9.136 0.900 -4.353 368 HD21 LEU 44 HD21 LEU 44 -10.690 0.229 -6.096 369 HD22 LEU 44 HD22 LEU 44 -11.933 -0.990 -5.812 370 HD23 LEU 44 HD23 LEU 44 -10.241 -1.479 -6.042 371 H LYS 45 HN LYS 45 -14.188 -3.765 -2.440 372 HA LYS 45 HA LYS 45 -14.650 -5.648 -1.394 373 HB2 LYS 45 HB2 LYS 45 -13.595 -6.054 -3.990 374 HB3 LYS 45 HB3 LYS 45 -12.943 -7.397 -3.091 375 HG2 LYS 45 HG2 LYS 45 -15.888 -6.613 -3.074 376 HG3 LYS 45 HG3 LYS 45 -15.189 -7.737 -4.245 377 HD2 LYS 45 HD2 LYS 45 -14.628 -9.343 -2.546 378 HD3 LYS 45 HD3 LYS 45 -14.926 -8.181 -1.256 379 HE2 LYS 45 HE2 LYS 45 -16.770 -9.752 -1.396 380 HE3 LYS 45 HE3 LYS 45 -17.290 -8.099 -1.734 381 HZ1 LYS 45 HZ1 LYS 45 -18.298 -9.516 -3.289 382 HZ2 LYS 45 HZ2 LYS 45 -16.909 -10.276 -3.697 383 HZ3 LYS 45 HZ3 LYS 45 -17.171 -8.701 -4.134 384 H LEU 46 HN LEU 46 -12.371 -4.375 -0.164 385 HA LEU 46 HA LEU 46 -10.976 -6.708 1.121 386 HB2 LEU 46 HB2 LEU 46 -10.053 -3.920 0.346 387 HB3 LEU 46 HB3 LEU 46 -9.217 -4.824 1.575 388 HG LEU 46 HG LEU 46 -9.542 -5.742 -1.306 389 HD11 LEU 46 HD11 LEU 46 -8.124 -3.761 -1.091 390 HD12 LEU 46 HD12 LEU 46 -7.154 -5.179 -1.487 391 HD13 LEU 46 HD13 LEU 46 -7.162 -4.552 0.177 392 HD21 LEU 46 HD21 LEU 46 -9.310 -7.697 0.081 393 HD22 LEU 46 HD22 LEU 46 -7.877 -7.011 0.902 394 HD23 LEU 46 HD23 LEU 46 -7.851 -7.396 -0.835 395 H SER 47 HN SER 47 -10.156 -6.156 3.375 396 HA SER 47 HA SER 47 -12.093 -4.553 4.937 397 HB2 SER 47 HB2 SER 47 -10.013 -5.477 6.602 398 HB3 SER 47 HB3 SER 47 -11.651 -6.086 6.510 399 HG SER 47 HG SER 47 -10.996 -7.618 4.993 400 H GLU 48 HN GLU 48 -11.270 -2.823 6.300 401 HA GLU 48 HA GLU 48 -9.638 -0.883 5.165 402 HB2 GLU 48 HB2 GLU 48 -10.106 -1.596 8.091 403 HB3 GLU 48 HB3 GLU 48 -9.391 -0.067 7.551 404 HG2 GLU 48 HG2 GLU 48 -11.390 0.742 6.696 405 HG3 GLU 48 HG3 GLU 48 -12.091 -0.854 6.453 406 H VAL 49 HN VAL 49 -8.744 -3.444 7.455 407 HA VAL 49 HA VAL 49 -6.090 -2.663 7.897 408 HB VAL 49 HB VAL 49 -7.395 -5.402 8.078 409 HG11 VAL 49 HG11 VAL 49 -5.569 -5.863 9.752 410 HG12 VAL 49 HG12 VAL 49 -4.988 -5.687 8.091 411 HG13 VAL 49 HG13 VAL 49 -4.778 -4.348 9.239 412 HG21 VAL 49 HG21 VAL 49 -7.820 -4.879 10.373 413 HG22 VAL 49 HG22 VAL 49 -6.917 -3.343 10.277 414 HG23 VAL 49 HG23 VAL 49 -8.471 -3.546 9.456 415 H GLN 50 HN GLN 50 -7.441 -4.810 5.330 416 HA GLN 50 HA GLN 50 -4.940 -5.745 4.282 417 HB2 GLN 50 HB2 GLN 50 -7.614 -5.184 2.952 418 HB3 GLN 50 HB3 GLN 50 -6.264 -5.966 2.163 419 HG2 GLN 50 HG2 GLN 50 -7.506 -7.102 4.699 420 HG3 GLN 50 HG3 GLN 50 -8.162 -7.450 3.106 421 HE21 GLN 50 HE21 GLN 50 -5.976 -8.513 5.371 422 HE22 GLN 50 HE22 GLN 50 -5.031 -9.603 4.381 423 H VAL 51 HN VAL 51 -7.021 -2.912 3.386 424 HA VAL 51 HA VAL 51 -5.238 -1.810 1.498 425 HB VAL 51 HB VAL 51 -7.157 -0.264 3.297 426 HG11 VAL 51 HG11 VAL 51 -6.169 0.265 0.460 427 HG12 VAL 51 HG12 VAL 51 -7.341 1.251 1.348 428 HG13 VAL 51 HG13 VAL 51 -5.671 1.160 1.911 429 HG21 VAL 51 HG21 VAL 51 -8.814 -0.569 1.461 430 HG22 VAL 51 HG22 VAL 51 -7.750 -1.773 0.712 431 HG23 VAL 51 HG23 VAL 51 -8.467 -2.063 2.315 432 H LYS 52 HN LYS 52 -5.436 -1.243 5.066 433 HA LYS 52 HA LYS 52 -3.340 0.671 5.252 434 HB2 LYS 52 HB2 LYS 52 -4.749 0.280 7.148 435 HB3 LYS 52 HB3 LYS 52 -4.350 -1.435 7.194 436 HG2 LYS 52 HG2 LYS 52 -2.058 -0.957 7.874 437 HG3 LYS 52 HG3 LYS 52 -2.354 0.791 7.740 438 HD2 LYS 52 HD2 LYS 52 -2.386 0.170 10.051 439 HD3 LYS 52 HD3 LYS 52 -4.048 0.546 9.601 440 HE2 LYS 52 HE2 LYS 52 -4.632 -1.795 9.457 441 HE3 LYS 52 HE3 LYS 52 -2.928 -2.289 9.553 442 HZ1 LYS 52 HZ1 LYS 52 -4.096 -2.621 11.625 443 HZ2 LYS 52 HZ2 LYS 52 -4.453 -1.052 11.773 444 HZ3 LYS 52 HZ3 LYS 52 -2.883 -1.553 11.850 445 H ILE 53 HN ILE 53 -3.133 -2.937 5.151 446 HA ILE 53 HA ILE 53 -0.317 -2.957 5.644 447 HB ILE 53 HB ILE 53 -2.041 -5.069 4.288 448 HG12 ILE 53 HG12 ILE 53 -0.890 -5.182 7.094 449 HG13 ILE 53 HG13 ILE 53 -2.414 -4.387 6.846 450 HG21 ILE 53 HG21 ILE 53 -0.087 -6.570 4.940 451 HG22 ILE 53 HG22 ILE 53 0.317 -5.405 3.696 452 HG23 ILE 53 HG23 ILE 53 0.819 -5.101 5.368 453 HD11 ILE 53 HD11 ILE 53 -2.812 -6.698 7.503 454 HD12 ILE 53 HD12 ILE 53 -3.360 -6.467 5.833 455 HD13 ILE 53 HD13 ILE 53 -1.825 -7.298 6.167 456 H TRP 54 HN TRP 54 -2.222 -2.903 2.543 457 HA TRP 54 HA TRP 54 0.177 -3.165 0.973 458 HB2 TRP 54 HB2 TRP 54 -2.301 -3.494 0.334 459 HB3 TRP 54 HB3 TRP 54 -2.326 -1.776 -0.011 460 HD1 TRP 54 HD1 TRP 54 -1.343 -5.111 -1.372 461 HE1 TRP 54 HE1 TRP 54 -0.545 -4.882 -3.768 462 HE3 TRP 54 HE3 TRP 54 -0.650 -0.036 -1.508 463 HZ2 TRP 54 HZ2 TRP 54 0.338 -2.733 -5.578 464 HZ3 TRP 54 HZ3 TRP 54 0.204 1.042 -3.632 465 HH2 TRP 54 HH2 TRP 54 0.654 -0.269 -5.604 466 H PHE 55 HN PHE 55 -1.738 -0.266 1.914 467 HA PHE 55 HA PHE 55 -0.126 1.663 0.664 468 HB2 PHE 55 HB2 PHE 55 -1.927 1.708 3.074 469 HB3 PHE 55 HB3 PHE 55 -0.949 3.109 2.712 470 HD1 PHE 55 HD2 PHE 55 -3.204 0.816 0.638 471 HD2 PHE 55 HD1 PHE 55 -1.935 4.847 1.601 472 HE1 PHE 55 HE2 PHE 55 -4.942 1.756 -0.862 473 HE2 PHE 55 HE1 PHE 55 -3.640 5.712 0.069 474 HZ PHE 55 HZ PHE 55 -5.188 4.195 -1.122 475 H GLN 56 HN GLN 56 0.282 0.245 4.004 476 HA GLN 56 HA GLN 56 2.520 1.917 4.543 477 HB2 GLN 56 HB2 GLN 56 3.065 0.472 6.357 478 HB3 GLN 56 HB3 GLN 56 1.286 0.689 6.359 479 HG2 GLN 56 HG2 GLN 56 1.119 -1.503 5.338 480 HG3 GLN 56 HG3 GLN 56 2.880 -1.705 5.367 481 HE21 GLN 56 HE21 GLN 56 -0.033 -1.453 7.408 482 HE22 GLN 56 HE22 GLN 56 0.629 -2.441 8.693 483 H ASN 57 HN ASN 57 2.318 -1.179 2.880 484 HA ASN 57 HA ASN 57 5.176 -1.662 3.056 485 HB2 ASN 57 HB2 ASN 57 2.755 -2.968 1.734 486 HB3 ASN 57 HB3 ASN 57 4.344 -3.360 1.135 487 HD21 ASN 57 HD21 ASN 57 2.237 -3.687 3.958 488 HD22 ASN 57 HD22 ASN 57 3.304 -4.728 4.864 489 H GLU 58 HN GLU 58 3.078 0.030 0.913 490 HA GLU 58 HA GLU 58 5.106 0.212 -1.239 491 HB2 GLU 58 HB2 GLU 58 2.371 0.188 -1.287 492 HB3 GLU 58 HB3 GLU 58 2.637 1.915 -1.287 493 HG2 GLU 58 HG2 GLU 58 2.541 1.261 -3.551 494 HG3 GLU 58 HG3 GLU 58 4.237 1.563 -3.249 495 H ARG 59 HN ARG 59 3.477 2.549 1.132 496 HA ARG 59 HA ARG 59 4.908 4.746 0.417 497 HB2 ARG 59 HB2 ARG 59 4.445 5.686 2.475 498 HB3 ARG 59 HB3 ARG 59 3.046 4.702 2.080 499 HG2 ARG 59 HG2 ARG 59 3.996 2.970 3.548 500 HG3 ARG 59 HG3 ARG 59 5.270 4.074 4.057 501 HD2 ARG 59 HD2 ARG 59 3.625 5.566 5.072 502 HD3 ARG 59 HD3 ARG 59 2.322 4.441 4.605 503 HE ARG 59 HE ARG 59 4.433 3.094 6.046 504 HH11 ARG 59 HH11 ARG 59 1.862 5.382 6.805 505 HH12 ARG 59 HH12 ARG 59 1.323 4.534 8.228 506 HH21 ARG 59 HH21 ARG 59 3.926 2.120 8.093 507 HH22 ARG 59 HH22 ARG 59 2.699 2.827 9.069 508 H ALA 60 HN ALA 60 5.944 2.179 2.486 509 HA ALA 60 HA ALA 60 8.346 3.543 3.395 510 HB1 ALA 60 HB1 ALA 60 8.728 1.426 4.644 511 HB2 ALA 60 HB2 ALA 60 7.119 2.104 4.895 512 HB3 ALA 60 HB3 ALA 60 7.325 0.708 3.816 513 H LYS 61 HN LYS 61 7.698 1.648 0.578 514 HA LYS 61 HA LYS 61 10.624 1.221 0.070 515 HB2 LYS 61 HB2 LYS 61 8.038 0.139 -1.033 516 HB3 LYS 61 HB3 LYS 61 9.251 0.573 -2.248 517 HG2 LYS 61 HG2 LYS 61 10.880 -0.843 -1.372 518 HG3 LYS 61 HG3 LYS 61 10.000 -1.112 0.133 519 HD2 LYS 61 HD2 LYS 61 9.745 -3.113 -1.080 520 HD3 LYS 61 HD3 LYS 61 8.186 -2.265 -1.223 521 HE2 LYS 61 HE2 LYS 61 8.809 -1.505 -3.482 522 HE3 LYS 61 HE3 LYS 61 10.412 -2.247 -3.317 523 HZ1 LYS 61 HZ1 LYS 61 9.127 -3.759 -4.512 524 HZ2 LYS 61 HZ2 LYS 61 7.803 -3.563 -3.542 525 HZ3 LYS 61 HZ3 LYS 61 9.142 -4.406 -3.015 526 H TRP 62 HN TRP 62 7.723 3.060 -1.117 527 HA TRP 62 HA TRP 62 9.188 4.505 -3.039 528 HB2 TRP 62 HB2 TRP 62 6.594 4.359 -2.597 529 HB3 TRP 62 HB3 TRP 62 6.883 5.795 -1.613 530 HD1 TRP 62 HD1 TRP 62 6.647 4.568 -5.172 531 HE1 TRP 62 HE1 TRP 62 7.193 6.406 -6.868 532 HE3 TRP 62 HE3 TRP 62 8.131 8.248 -1.936 533 HZ2 TRP 62 HZ2 TRP 62 8.285 9.065 -6.846 534 HZ3 TRP 62 HZ3 TRP 62 8.984 10.411 -2.817 535 HH2 TRP 62 HH2 TRP 62 9.105 10.809 -5.263 536 H LYS 63 HN LYS 63 8.683 5.187 0.442 537 HA LYS 63 HA LYS 63 10.020 7.702 0.451 538 HB2 LYS 63 HB2 LYS 63 9.492 5.602 2.592 539 HB3 LYS 63 HB3 LYS 63 10.401 7.057 2.959 540 HG2 LYS 63 HG2 LYS 63 8.067 7.920 1.490 541 HG3 LYS 63 HG3 LYS 63 7.522 6.753 2.673 542 HD2 LYS 63 HD2 LYS 63 7.367 8.966 3.554 543 HD3 LYS 63 HD3 LYS 63 8.527 8.023 4.488 544 HE2 LYS 63 HE2 LYS 63 10.403 9.120 3.283 545 HE3 LYS 63 HE3 LYS 63 9.241 9.929 2.225 546 HZ1 LYS 63 HZ1 LYS 63 9.527 10.423 5.116 547 HZ2 LYS 63 HZ2 LYS 63 8.407 11.107 4.133 548 HZ3 LYS 63 HZ3 LYS 63 10.002 11.422 3.887 549 H ARG 64 HN ARG 64 11.489 4.976 -0.605 550 HA ARG 64 HA ARG 64 14.157 5.903 0.308 551 HB2 ARG 64 HB2 ARG 64 13.608 3.127 -0.754 552 HB3 ARG 64 HB3 ARG 64 14.987 3.736 0.187 553 HG2 ARG 64 HG2 ARG 64 13.007 4.213 2.005 554 HG3 ARG 64 HG3 ARG 64 12.219 2.945 1.044 555 HD2 ARG 64 HD2 ARG 64 13.275 1.807 2.802 556 HD3 ARG 64 HD3 ARG 64 14.377 1.598 1.415 557 HE ARG 64 HE ARG 64 15.053 3.959 2.879 558 HH11 ARG 64 HH11 ARG 64 15.294 0.399 3.079 559 HH12 ARG 64 HH12 ARG 64 16.747 0.434 4.000 560 HH21 ARG 64 HH21 ARG 64 16.854 3.967 4.264 561 HH22 ARG 64 HH22 ARG 64 17.709 2.513 4.681 562 H ILE 65 HN ILE 65 12.042 5.793 -2.303 563 HA ILE 65 HA ILE 65 14.013 6.128 -4.484 564 HB ILE 65 HB ILE 65 11.011 6.675 -4.291 565 HG12 ILE 65 HG12 ILE 65 12.547 4.432 -5.674 566 HG13 ILE 65 HG13 ILE 65 11.732 4.242 -4.138 567 HG21 ILE 65 HG21 ILE 65 11.046 6.990 -6.679 568 HG22 ILE 65 HG22 ILE 65 12.177 8.135 -5.969 569 HG23 ILE 65 HG23 ILE 65 12.785 6.659 -6.755 570 HD11 ILE 65 HD11 ILE 65 10.354 3.299 -5.821 571 HD12 ILE 65 HD12 ILE 65 9.566 4.775 -5.196 572 HD13 ILE 65 HD13 ILE 65 10.385 4.801 -6.796 573 H LYS 66 HN LYS 66 11.606 8.410 -3.168 574 HA LYS 66 HA LYS 66 11.580 10.584 -3.089 575 HB2 LYS 66 HB2 LYS 66 12.756 11.719 -1.470 576 HB3 LYS 66 HB3 LYS 66 12.493 10.059 -0.905 577 HG2 LYS 66 HG2 LYS 66 15.083 10.223 -2.259 578 HG3 LYS 66 HG3 LYS 66 14.966 11.542 -1.159 579 HD2 LYS 66 HD2 LYS 66 14.214 8.734 -0.357 580 HD3 LYS 66 HD3 LYS 66 15.907 9.272 -0.303 581 HE2 LYS 66 HE2 LYS 66 13.584 10.609 1.204 582 HE3 LYS 66 HE3 LYS 66 14.755 9.473 1.921 583 HZ1 LYS 66 HZ1 LYS 66 15.386 11.751 2.347 584 HZ2 LYS 66 HZ2 LYS 66 15.485 12.095 0.735 585 HZ3 LYS 66 HZ3 LYS 66 16.539 11.029 1.408 586 H ALA 67 HN ALA 67 14.068 9.409 -5.022 587 HA ALA 67 HA ALA 67 15.399 10.164 -6.599 588 HB1 ALA 67 HB1 ALA 67 13.487 12.480 -6.856 589 HB2 ALA 67 HB2 ALA 67 14.543 11.838 -8.069 590 HB3 ALA 67 HB3 ALA 67 13.176 10.788 -7.449 591 H GLY 68 HN GLY 68 16.106 10.726 -3.942 592 HA2 GLY 68 HA1 GLY 68 17.341 13.374 -3.812 593 HA3 GLY 68 HA2 GLY 68 17.450 12.089 -2.599 594 H ASN 69 HN ASN 69 18.443 12.888 -5.945 595 HA ASN 69 HA ASN 69 21.222 12.280 -5.383 596 HB2 ASN 69 HB2 ASN 69 20.052 10.093 -6.258 597 HB3 ASN 69 HB3 ASN 69 20.054 10.917 -7.816 598 HD21 ASN 69 HD21 ASN 69 22.513 12.009 -8.177 599 HD22 ASN 69 HD22 ASN 69 23.801 10.865 -7.881 600 H VAL 70 HN VAL 70 19.592 14.627 -5.775 601 HA VAL 70 HA VAL 70 19.535 15.393 -8.573 602 HB VAL 70 HB VAL 70 18.073 16.130 -6.536 603 HG11 VAL 70 HG11 VAL 70 18.606 18.177 -5.425 604 HG12 VAL 70 HG12 VAL 70 19.994 17.092 -5.189 605 HG13 VAL 70 HG13 VAL 70 20.081 18.395 -6.385 606 HG21 VAL 70 HG21 VAL 70 18.921 18.156 -8.611 607 HG22 VAL 70 HG22 VAL 70 17.715 16.871 -8.835 608 HG23 VAL 70 HG23 VAL 70 17.407 18.174 -7.672 609 H SER 71 HN SER 71 22.018 15.060 -6.419 610 HA SER 71 HA SER 71 23.851 17.190 -7.032 611 HB2 SER 71 HB2 SER 71 25.425 15.461 -6.026 612 HB3 SER 71 HB3 SER 71 24.046 15.828 -4.973 613 HG SER 71 HG SER 71 23.974 13.806 -6.921 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 10.289 4.429 13.543 2 HA2 GLY 1 HA1 GLY 1 11.575 2.467 12.843 3 HA3 GLY 1 HA2 GLY 1 11.390 2.524 14.607 4 H ALA 2 HN ALA 2 10.863 0.675 15.444 5 HA ALA 2 HA ALA 2 9.803 -1.346 15.841 6 HB1 ALA 2 HB1 ALA 2 7.734 0.829 15.592 7 HB2 ALA 2 HB2 ALA 2 7.553 -0.675 16.524 8 HB3 ALA 2 HB3 ALA 2 8.787 0.512 16.988 9 HA PRO 3 HA PRO 3 8.189 -2.597 11.684 10 HB2 PRO 3 HB2 PRO 3 9.752 -4.806 11.265 11 HB3 PRO 3 HB3 PRO 3 10.308 -3.142 10.879 12 HG2 PRO 3 HG2 PRO 3 10.892 -4.777 13.374 13 HG3 PRO 3 HG3 PRO 3 12.050 -3.889 12.339 14 HD2 PRO 3 HD2 PRO 3 11.024 -2.814 14.631 15 HD3 PRO 3 HD3 PRO 3 11.342 -1.797 13.188 16 H GLY 4 HN GLY 4 6.492 -4.021 11.577 17 HA2 GLY 4 HA1 GLY 4 6.220 -6.190 13.638 18 HA3 GLY 4 HA2 GLY 4 4.926 -5.106 13.180 19 H GLY 5 HN GLY 5 6.905 -6.086 10.528 20 HA2 GLY 5 HA1 GLY 5 4.858 -8.013 9.550 21 HA3 GLY 5 HA2 GLY 5 6.127 -7.271 8.601 22 H LYS 6 HN LYS 6 5.729 -10.105 8.702 23 HA LYS 6 HA LYS 6 8.481 -10.831 9.467 24 HB2 LYS 6 HB2 LYS 6 5.941 -12.339 10.207 25 HB3 LYS 6 HB3 LYS 6 7.422 -13.228 9.832 26 HG2 LYS 6 HG2 LYS 6 8.651 -11.905 11.515 27 HG3 LYS 6 HG3 LYS 6 7.156 -11.118 12.011 28 HD2 LYS 6 HD2 LYS 6 6.245 -13.265 12.780 29 HD3 LYS 6 HD3 LYS 6 7.643 -14.133 12.097 30 HE2 LYS 6 HE2 LYS 6 9.159 -12.810 13.588 31 HE3 LYS 6 HE3 LYS 6 7.752 -12.050 14.326 32 HZ1 LYS 6 HZ1 LYS 6 7.116 -14.202 15.239 33 HZ2 LYS 6 HZ2 LYS 6 8.698 -13.939 15.565 34 HZ3 LYS 6 HZ3 LYS 6 8.297 -14.977 14.404 35 H SER 7 HN SER 7 9.311 -12.478 8.103 36 HA SER 7 HA SER 7 9.741 -13.656 6.307 37 HB2 SER 7 HB2 SER 7 6.749 -13.928 6.007 38 HB3 SER 7 HB3 SER 7 8.001 -15.059 5.440 39 HG SER 7 HG SER 7 8.548 -15.463 7.580 40 H ARG 8 HN ARG 8 7.313 -11.197 5.411 41 HA ARG 8 HA ARG 8 7.286 -9.736 3.644 42 HB2 ARG 8 HB2 ARG 8 10.306 -9.939 3.825 43 HB3 ARG 8 HB3 ARG 8 9.321 -8.533 3.449 44 HG2 ARG 8 HG2 ARG 8 9.562 -9.851 6.200 45 HG3 ARG 8 HG3 ARG 8 10.494 -8.482 5.625 46 HD2 ARG 8 HD2 ARG 8 8.287 -7.269 5.233 47 HD3 ARG 8 HD3 ARG 8 7.522 -8.566 6.190 48 HE ARG 8 HE ARG 8 9.575 -7.821 7.789 49 HH11 ARG 8 HH11 ARG 8 6.866 -6.010 6.349 50 HH12 ARG 8 HH12 ARG 8 7.093 -4.603 7.355 51 HH21 ARG 8 HH21 ARG 8 9.947 -5.777 9.014 52 HH22 ARG 8 HH22 ARG 8 8.767 -4.523 8.873 53 H ARG 9 HN ARG 9 6.677 -11.976 2.282 54 HA ARG 9 HA ARG 9 8.591 -12.094 0.004 55 HB2 ARG 9 HB2 ARG 9 8.935 -13.897 1.790 56 HB3 ARG 9 HB3 ARG 9 7.379 -14.555 1.298 57 HG2 ARG 9 HG2 ARG 9 8.322 -14.964 -0.984 58 HG3 ARG 9 HG3 ARG 9 9.855 -14.230 -0.476 59 HD2 ARG 9 HD2 ARG 9 10.389 -15.939 1.000 60 HD3 ARG 9 HD3 ARG 9 8.715 -16.439 1.228 61 HE ARG 9 HE ARG 9 8.823 -17.287 -1.177 62 HH11 ARG 9 HH11 ARG 9 11.464 -17.579 1.262 63 HH12 ARG 9 HH12 ARG 9 11.952 -19.108 0.644 64 HH21 ARG 9 HH21 ARG 9 9.727 -19.230 -2.047 65 HH22 ARG 9 HH22 ARG 9 10.820 -20.144 -1.041 66 H ARG 10 HN ARG 10 7.685 -12.900 -1.930 67 HA ARG 10 HA ARG 10 6.288 -12.574 -3.657 68 HB2 ARG 10 HB2 ARG 10 4.742 -14.396 -1.804 69 HB3 ARG 10 HB3 ARG 10 3.974 -13.839 -3.280 70 HG2 ARG 10 HG2 ARG 10 5.855 -14.648 -4.635 71 HG3 ARG 10 HG3 ARG 10 6.655 -15.280 -3.190 72 HD2 ARG 10 HD2 ARG 10 4.958 -16.909 -2.842 73 HD3 ARG 10 HD3 ARG 10 3.827 -16.103 -3.940 74 HE ARG 10 HE ARG 10 5.971 -16.748 -5.560 75 HH11 ARG 10 HH11 ARG 10 3.900 -18.698 -3.374 76 HH12 ARG 10 HH12 ARG 10 3.997 -20.088 -4.404 77 HH21 ARG 10 HH21 ARG 10 5.677 -18.530 -7.065 78 HH22 ARG 10 HH22 ARG 10 4.872 -19.954 -6.503 79 H ARG 11 HN ARG 11 3.775 -12.042 -4.239 80 HA ARG 11 HA ARG 11 3.241 -9.399 -2.994 81 HB2 ARG 11 HB2 ARG 11 2.411 -10.809 -5.497 82 HB3 ARG 11 HB3 ARG 11 1.111 -9.941 -4.684 83 HG2 ARG 11 HG2 ARG 11 2.063 -8.466 -6.273 84 HG3 ARG 11 HG3 ARG 11 2.508 -7.892 -4.662 85 HD2 ARG 11 HD2 ARG 11 4.753 -9.011 -4.931 86 HD3 ARG 11 HD3 ARG 11 4.260 -9.491 -6.564 87 HE ARG 11 HE ARG 11 4.320 -6.658 -5.615 88 HH11 ARG 11 HH11 ARG 11 5.517 -9.072 -7.978 89 HH12 ARG 11 HH12 ARG 11 6.023 -7.891 -9.108 90 HH21 ARG 11 HH21 ARG 11 5.042 -5.106 -7.141 91 HH22 ARG 11 HH22 ARG 11 6.203 -5.603 -8.335 92 H THR 12 HN THR 12 1.155 -8.946 -2.138 93 HA THR 12 HA THR 12 -0.098 -11.170 -0.704 94 HB THR 12 HB THR 12 -0.427 -8.229 -0.467 95 HG1 THR 12 HG1 THR 12 1.333 -8.318 0.704 96 HG21 THR 12 HG21 THR 12 -1.639 -10.598 0.865 97 HG22 THR 12 HG22 THR 12 -2.264 -8.968 0.745 98 HG23 THR 12 HG23 THR 12 -1.082 -9.324 2.016 99 H ALA 13 HN ALA 13 -0.445 -10.705 -3.567 100 HA ALA 13 HA ALA 13 -2.087 -11.590 -4.948 101 HB1 ALA 13 HB1 ALA 13 -2.245 -13.159 -3.086 102 HB2 ALA 13 HB2 ALA 13 -3.401 -12.122 -2.241 103 HB3 ALA 13 HB3 ALA 13 -3.865 -12.885 -3.776 104 H PHE 14 HN PHE 14 -2.144 -8.862 -4.773 105 HA PHE 14 HA PHE 14 -4.990 -8.055 -4.748 106 HB2 PHE 14 HB2 PHE 14 -2.468 -6.403 -4.919 107 HB3 PHE 14 HB3 PHE 14 -4.094 -5.778 -5.194 108 HD1 PHE 14 HD1 PHE 14 -4.068 -8.253 -2.542 109 HD2 PHE 14 HD2 PHE 14 -3.425 -4.109 -3.377 110 HE1 PHE 14 HE1 PHE 14 -4.366 -7.822 -0.197 111 HE2 PHE 14 HE2 PHE 14 -3.751 -3.668 -0.924 112 HZ PHE 14 HZ PHE 14 -4.190 -5.456 0.634 113 H THR 15 HN THR 15 -6.087 -8.021 -6.538 114 HA THR 15 HA THR 15 -4.974 -8.586 -9.177 115 HB THR 15 HB THR 15 -7.305 -8.035 -9.930 116 HG1 THR 15 HG1 THR 15 -8.905 -7.910 -8.407 117 HG21 THR 15 HG21 THR 15 -8.337 -10.070 -9.020 118 HG22 THR 15 HG22 THR 15 -7.182 -10.082 -7.676 119 HG23 THR 15 HG23 THR 15 -6.636 -10.356 -9.349 120 H SER 16 HN SER 16 -5.738 -6.918 -11.045 121 HA SER 16 HA SER 16 -4.107 -4.650 -10.663 122 HB2 SER 16 HB2 SER 16 -6.326 -4.789 -12.688 123 HB3 SER 16 HB3 SER 16 -4.722 -4.025 -12.805 124 HG SER 16 HG SER 16 -3.813 -6.142 -12.861 125 H GLU 17 HN GLU 17 -7.626 -5.097 -10.336 126 HA GLU 17 HA GLU 17 -8.480 -2.431 -10.189 127 HB2 GLU 17 HB2 GLU 17 -9.382 -4.964 -8.767 128 HB3 GLU 17 HB3 GLU 17 -10.263 -3.449 -8.594 129 HG2 GLU 17 HG2 GLU 17 -10.996 -3.468 -10.832 130 HG3 GLU 17 HG3 GLU 17 -9.758 -4.637 -11.334 131 H GLN 18 HN GLN 18 -7.663 -4.607 -7.588 132 HA GLN 18 HA GLN 18 -7.550 -2.567 -5.606 133 HB2 GLN 18 HB2 GLN 18 -6.329 -4.823 -4.531 134 HB3 GLN 18 HB3 GLN 18 -7.974 -4.368 -4.245 135 HG2 GLN 18 HG2 GLN 18 -8.547 -5.758 -6.312 136 HG3 GLN 18 HG3 GLN 18 -6.840 -6.216 -6.338 137 HE21 GLN 18 HE21 GLN 18 -9.906 -6.391 -4.141 138 HE22 GLN 18 HE22 GLN 18 -9.379 -7.928 -3.579 139 H LEU 19 HN LEU 19 -5.272 -3.319 -7.880 140 HA LEU 19 HA LEU 19 -3.103 -2.165 -6.208 141 HB2 LEU 19 HB2 LEU 19 -3.214 -3.383 -8.993 142 HB3 LEU 19 HB3 LEU 19 -1.805 -2.477 -8.429 143 HG LEU 19 HG LEU 19 -2.956 -4.828 -6.875 144 HD11 LEU 19 HD11 LEU 19 -2.211 -5.623 -9.043 145 HD12 LEU 19 HD12 LEU 19 -1.136 -6.123 -7.738 146 HD13 LEU 19 HD13 LEU 19 -0.614 -4.806 -8.794 147 HD21 LEU 19 HD21 LEU 19 -0.686 -4.874 -5.842 148 HD22 LEU 19 HD22 LEU 19 -1.561 -3.399 -5.468 149 HD23 LEU 19 HD23 LEU 19 -0.288 -3.367 -6.702 150 H LEU 20 HN LEU 20 -5.359 -1.120 -8.707 151 HA LEU 20 HA LEU 20 -3.639 0.941 -9.684 152 HB2 LEU 20 HB2 LEU 20 -6.191 -0.151 -10.347 153 HB3 LEU 20 HB3 LEU 20 -6.490 1.548 -10.043 154 HG LEU 20 HG LEU 20 -4.341 0.434 -11.913 155 HD11 LEU 20 HD11 LEU 20 -5.814 0.993 -13.744 156 HD12 LEU 20 HD12 LEU 20 -7.002 1.731 -12.627 157 HD13 LEU 20 HD13 LEU 20 -6.715 0.002 -12.590 158 HD21 LEU 20 HD21 LEU 20 -5.337 3.314 -11.597 159 HD22 LEU 20 HD22 LEU 20 -4.114 2.726 -12.766 160 HD23 LEU 20 HD23 LEU 20 -3.767 2.707 -11.050 161 H GLU 21 HN GLU 21 -6.478 1.046 -7.588 162 HA GLU 21 HA GLU 21 -6.495 3.834 -7.045 163 HB2 GLU 21 HB2 GLU 21 -7.488 1.582 -5.243 164 HB3 GLU 21 HB3 GLU 21 -8.107 3.224 -5.297 165 HG2 GLU 21 HG2 GLU 21 -8.369 1.061 -7.412 166 HG3 GLU 21 HG3 GLU 21 -9.641 1.728 -6.438 167 H LEU 22 HN LEU 22 -4.931 1.129 -5.532 168 HA LEU 22 HA LEU 22 -3.921 2.455 -3.173 169 HB2 LEU 22 HB2 LEU 22 -3.483 -0.172 -4.611 170 HB3 LEU 22 HB3 LEU 22 -2.179 0.387 -3.580 171 HG LEU 22 HG LEU 22 -3.607 0.545 -1.658 172 HD11 LEU 22 HD11 LEU 22 -5.776 1.148 -2.595 173 HD12 LEU 22 HD12 LEU 22 -5.953 -0.373 -1.709 174 HD13 LEU 22 HD13 LEU 22 -5.861 -0.385 -3.475 175 HD21 LEU 22 HD21 LEU 22 -4.393 -2.183 -2.575 176 HD22 LEU 22 HD22 LEU 22 -3.479 -1.629 -1.168 177 HD23 LEU 22 HD23 LEU 22 -2.691 -1.810 -2.758 178 H ARG 23 HN ARG 23 -2.667 2.155 -6.513 179 HA ARG 23 HA ARG 23 0.025 3.008 -5.730 180 HB2 ARG 23 HB2 ARG 23 -1.417 2.404 -8.344 181 HB3 ARG 23 HB3 ARG 23 0.145 3.214 -8.341 182 HG2 ARG 23 HG2 ARG 23 1.253 1.354 -7.305 183 HG3 ARG 23 HG3 ARG 23 -0.274 0.561 -6.896 184 HD2 ARG 23 HD2 ARG 23 -0.794 0.209 -9.253 185 HD3 ARG 23 HD3 ARG 23 0.640 1.091 -9.751 186 HE ARG 23 HE ARG 23 0.444 -1.639 -8.777 187 HH11 ARG 23 HH11 ARG 23 2.724 1.059 -9.407 188 HH12 ARG 23 HH12 ARG 23 4.062 -0.009 -9.699 189 HH21 ARG 23 HH21 ARG 23 2.373 -3.044 -9.171 190 HH22 ARG 23 HH22 ARG 23 3.790 -2.215 -9.750 191 H LYS 24 HN LYS 24 -3.032 4.343 -6.899 192 HA LYS 24 HA LYS 24 -1.946 6.910 -7.490 193 HB2 LYS 24 HB2 LYS 24 -4.785 5.883 -7.080 194 HB3 LYS 24 HB3 LYS 24 -4.443 7.605 -7.290 195 HG2 LYS 24 HG2 LYS 24 -3.301 7.182 -9.411 196 HG3 LYS 24 HG3 LYS 24 -3.614 5.444 -9.263 197 HD2 LYS 24 HD2 LYS 24 -5.999 5.783 -9.360 198 HD3 LYS 24 HD3 LYS 24 -5.839 7.542 -9.305 199 HE2 LYS 24 HE2 LYS 24 -4.654 5.789 -11.499 200 HE3 LYS 24 HE3 LYS 24 -6.238 6.560 -11.628 201 HZ1 LYS 24 HZ1 LYS 24 -3.792 8.112 -11.091 202 HZ2 LYS 24 HZ2 LYS 24 -5.239 8.674 -11.626 203 HZ3 LYS 24 HZ3 LYS 24 -4.255 7.764 -12.605 204 H GLU 25 HN GLU 25 -3.957 5.758 -4.703 205 HA GLU 25 HA GLU 25 -3.735 8.173 -3.242 206 HB2 GLU 25 HB2 GLU 25 -4.486 5.356 -2.658 207 HB3 GLU 25 HB3 GLU 25 -3.985 6.282 -1.262 208 HG2 GLU 25 HG2 GLU 25 -6.059 7.356 -3.195 209 HG3 GLU 25 HG3 GLU 25 -6.480 6.252 -1.883 210 H PHE 26 HN PHE 26 -1.438 5.454 -3.501 211 HA PHE 26 HA PHE 26 0.292 6.256 -1.409 212 HB2 PHE 26 HB2 PHE 26 0.352 4.080 -2.603 213 HB3 PHE 26 HB3 PHE 26 0.975 4.886 -4.045 214 HD1 PHE 26 HD2 PHE 26 1.631 3.946 -0.532 215 HD2 PHE 26 HD1 PHE 26 3.374 5.502 -4.158 216 HE1 PHE 26 HE2 PHE 26 3.843 3.781 0.454 217 HE2 PHE 26 HE1 PHE 26 5.603 5.436 -3.128 218 HZ PHE 26 HZ PHE 26 5.888 4.590 -0.829 219 H HIS 27 HN HIS 27 -0.235 7.784 -4.529 220 HA HIS 27 HA HIS 27 2.338 9.270 -4.366 221 HB2 HIS 27 HB2 HIS 27 0.155 9.106 -6.485 222 HB3 HIS 27 HB3 HIS 27 1.443 10.306 -6.504 223 HD1 HIS 27 HD1 HIS 27 2.642 9.270 -8.727 224 HD2 HIS 27 HD2 HIS 27 2.219 6.668 -5.439 225 HE1 HIS 27 HE1 HIS 27 4.210 7.342 -9.133 226 H CYS 28 HN CYS 28 -1.215 9.709 -4.085 227 HA CYS 28 HA CYS 28 -1.218 12.484 -3.534 228 HB2 CYS 28 HB2 CYS 28 -3.031 10.336 -2.343 229 HB3 CYS 28 HB3 CYS 28 -3.372 12.061 -2.481 230 HG CYS 28 HG CYS 28 -3.572 12.229 -4.998 231 H LYS 29 HN LYS 29 -0.896 9.677 -1.290 232 HA LYS 29 HA LYS 29 0.259 11.288 0.879 233 HB2 LYS 29 HB2 LYS 29 -2.608 10.709 0.651 234 HB3 LYS 29 HB3 LYS 29 -1.934 9.847 2.013 235 HG2 LYS 29 HG2 LYS 29 -1.141 11.850 3.051 236 HG3 LYS 29 HG3 LYS 29 -1.537 12.841 1.625 237 HD2 LYS 29 HD2 LYS 29 -3.876 12.625 1.955 238 HD3 LYS 29 HD3 LYS 29 -3.678 11.163 2.923 239 HE2 LYS 29 HE2 LYS 29 -4.415 12.801 4.385 240 HE3 LYS 29 HE3 LYS 29 -2.739 12.439 4.781 241 HZ1 LYS 29 HZ1 LYS 29 -3.758 14.887 3.439 242 HZ2 LYS 29 HZ2 LYS 29 -2.144 14.528 3.520 243 HZ3 LYS 29 HZ3 LYS 29 -3.011 14.795 4.865 244 H LYS 30 HN LYS 30 0.155 9.482 2.830 245 HA LYS 30 HA LYS 30 1.411 7.037 1.605 246 HB2 LYS 30 HB2 LYS 30 2.569 6.788 3.789 247 HB3 LYS 30 HB3 LYS 30 3.081 8.169 2.821 248 HG2 LYS 30 HG2 LYS 30 0.912 8.832 4.749 249 HG3 LYS 30 HG3 LYS 30 2.372 8.154 5.502 250 HD2 LYS 30 HD2 LYS 30 3.766 9.796 4.242 251 HD3 LYS 30 HD3 LYS 30 2.293 10.625 3.755 252 HE2 LYS 30 HE2 LYS 30 2.995 10.050 6.682 253 HE3 LYS 30 HE3 LYS 30 3.689 11.424 5.820 254 HZ1 LYS 30 HZ1 LYS 30 1.506 12.284 5.424 255 HZ2 LYS 30 HZ2 LYS 30 1.821 12.172 7.005 256 HZ3 LYS 30 HZ3 LYS 30 0.800 11.085 6.325 257 H TYR 31 HN TYR 31 -1.214 8.123 3.735 258 HA TYR 31 HA TYR 31 -2.275 5.546 3.765 259 HB2 TYR 31 HB2 TYR 31 -2.425 5.309 6.273 260 HB3 TYR 31 HB3 TYR 31 -0.831 5.004 5.608 261 HD1 TYR 31 HD1 TYR 31 -2.916 7.609 7.366 262 HD2 TYR 31 HD2 TYR 31 1.058 6.208 6.394 263 HE1 TYR 31 HE1 TYR 31 -1.961 9.361 8.792 264 HE2 TYR 31 HE2 TYR 31 2.021 7.935 7.851 265 HH TYR 31 HH TYR 31 1.595 9.700 9.281 266 H LEU 32 HN LEU 32 -4.412 5.616 4.908 267 HA LEU 32 HA LEU 32 -5.603 8.317 4.732 268 HB2 LEU 32 HB2 LEU 32 -7.191 5.787 4.914 269 HB3 LEU 32 HB3 LEU 32 -7.610 7.338 4.240 270 HG LEU 32 HG LEU 32 -7.603 5.793 2.510 271 HD11 LEU 32 HD11 LEU 32 -6.855 7.962 1.933 272 HD12 LEU 32 HD12 LEU 32 -5.886 6.773 1.003 273 HD13 LEU 32 HD13 LEU 32 -5.169 7.624 2.387 274 HD21 LEU 32 HD21 LEU 32 -4.695 5.043 2.819 275 HD22 LEU 32 HD22 LEU 32 -5.954 4.321 1.822 276 HD23 LEU 32 HD23 LEU 32 -6.018 4.116 3.579 277 H SER 33 HN SER 33 -7.582 8.464 6.225 278 HA SER 33 HA SER 33 -6.940 7.627 8.994 279 HB2 SER 33 HB2 SER 33 -9.094 9.417 7.777 280 HB3 SER 33 HB3 SER 33 -8.937 9.068 9.509 281 HG SER 33 HG SER 33 -7.779 11.014 8.579 282 H LEU 34 HN LEU 34 -9.080 6.826 10.191 283 HA LEU 34 HA LEU 34 -9.263 4.189 9.520 284 HB2 LEU 34 HB2 LEU 34 -11.183 5.909 11.162 285 HB3 LEU 34 HB3 LEU 34 -11.205 4.160 11.108 286 HG LEU 34 HG LEU 34 -10.236 4.820 13.136 287 HD11 LEU 34 HD11 LEU 34 -9.217 2.861 12.018 288 HD12 LEU 34 HD12 LEU 34 -8.111 3.674 13.132 289 HD13 LEU 34 HD13 LEU 34 -7.928 3.907 11.376 290 HD21 LEU 34 HD21 LEU 34 -9.497 7.107 12.510 291 HD22 LEU 34 HD22 LEU 34 -8.059 6.394 11.725 292 HD23 LEU 34 HD23 LEU 34 -8.320 6.205 13.463 293 H THR 35 HN THR 35 -11.973 6.524 9.231 294 HA THR 35 HA THR 35 -13.797 4.895 7.901 295 HB THR 35 HB THR 35 -13.290 7.899 7.736 296 HG1 THR 35 HG1 THR 35 -14.580 8.045 9.473 297 HG21 THR 35 HG21 THR 35 -15.721 8.118 7.332 298 HG22 THR 35 HG22 THR 35 -15.874 6.346 7.280 299 HG23 THR 35 HG23 THR 35 -14.934 7.205 6.042 300 H GLU 36 HN GLU 36 -11.256 7.038 6.537 301 HA GLU 36 HA GLU 36 -12.163 6.768 3.850 302 HB2 GLU 36 HB2 GLU 36 -9.524 7.683 5.042 303 HB3 GLU 36 HB3 GLU 36 -9.961 7.819 3.334 304 HG2 GLU 36 HG2 GLU 36 -12.097 9.032 4.186 305 HG3 GLU 36 HG3 GLU 36 -11.228 9.171 5.724 306 H ARG 37 HN ARG 37 -9.481 5.113 5.663 307 HA ARG 37 HA ARG 37 -8.694 3.438 3.542 308 HB2 ARG 37 HB2 ARG 37 -7.596 3.940 5.802 309 HB3 ARG 37 HB3 ARG 37 -8.788 2.916 6.544 310 HG2 ARG 37 HG2 ARG 37 -7.310 1.692 4.218 311 HG3 ARG 37 HG3 ARG 37 -6.296 2.249 5.518 312 HD2 ARG 37 HD2 ARG 37 -8.416 0.121 5.590 313 HD3 ARG 37 HD3 ARG 37 -6.708 -0.034 5.984 314 HE ARG 37 HE ARG 37 -8.800 0.424 7.780 315 HH11 ARG 37 HH11 ARG 37 -5.754 2.275 7.318 316 HH12 ARG 37 HH12 ARG 37 -5.544 2.516 9.000 317 HH21 ARG 37 HH21 ARG 37 -8.640 0.872 9.769 318 HH22 ARG 37 HH22 ARG 37 -7.278 1.634 10.541 319 H SER 38 HN SER 38 -11.531 3.262 5.694 320 HA SER 38 HA SER 38 -12.199 0.539 5.147 321 HB2 SER 38 HB2 SER 38 -13.214 2.343 6.836 322 HB3 SER 38 HB3 SER 38 -14.333 2.644 5.495 323 HG SER 38 HG SER 38 -15.339 0.971 6.161 324 H GLN 39 HN GLN 39 -12.952 3.631 3.483 325 HA GLN 39 HA GLN 39 -14.570 2.572 1.383 326 HB2 GLN 39 HB2 GLN 39 -12.608 4.891 1.092 327 HB3 GLN 39 HB3 GLN 39 -13.968 4.510 0.052 328 HG2 GLN 39 HG2 GLN 39 -15.472 4.872 2.005 329 HG3 GLN 39 HG3 GLN 39 -14.091 5.412 2.965 330 HE21 GLN 39 HE21 GLN 39 -12.971 7.448 2.220 331 HE22 GLN 39 HE22 GLN 39 -13.971 8.625 1.421 332 H ILE 40 HN ILE 40 -11.062 3.156 1.434 333 HA ILE 40 HA ILE 40 -10.637 1.918 -1.100 334 HB ILE 40 HB ILE 40 -8.589 2.417 1.089 335 HG12 ILE 40 HG12 ILE 40 -9.663 4.520 0.959 336 HG13 ILE 40 HG13 ILE 40 -8.191 4.671 0.036 337 HG21 ILE 40 HG21 ILE 40 -8.280 2.324 -1.933 338 HG22 ILE 40 HG22 ILE 40 -7.032 3.006 -0.870 339 HG23 ILE 40 HG23 ILE 40 -7.482 1.302 -0.741 340 HD11 ILE 40 HD11 ILE 40 -10.952 4.186 -1.122 341 HD12 ILE 40 HD12 ILE 40 -10.089 5.721 -1.133 342 HD13 ILE 40 HD13 ILE 40 -9.439 4.372 -2.061 343 H ALA 41 HN ALA 41 -11.533 0.444 1.538 344 HA ALA 41 HA ALA 41 -10.220 -2.153 0.786 345 HB1 ALA 41 HB1 ALA 41 -10.821 -3.045 2.931 346 HB2 ALA 41 HB2 ALA 41 -9.966 -1.519 3.192 347 HB3 ALA 41 HB3 ALA 41 -11.729 -1.569 3.361 348 H HIS 42 HN HIS 42 -13.381 -0.796 1.749 349 HA HIS 42 HA HIS 42 -14.891 -3.045 0.997 350 HB2 HIS 42 HB2 HIS 42 -15.484 -1.110 2.533 351 HB3 HIS 42 HB3 HIS 42 -15.794 -0.136 1.107 352 HD1 HIS 42 HD1 HIS 42 -17.423 -2.439 3.474 353 HD2 HIS 42 HD2 HIS 42 -17.976 -1.139 -0.502 354 HE1 HIS 42 HE1 HIS 42 -19.881 -2.858 2.916 355 H ALA 43 HN ALA 43 -13.867 -0.144 -0.976 356 HA ALA 43 HA ALA 43 -15.576 -0.743 -3.199 357 HB1 ALA 43 HB1 ALA 43 -14.482 1.438 -2.828 358 HB2 ALA 43 HB2 ALA 43 -12.888 0.702 -3.068 359 HB3 ALA 43 HB3 ALA 43 -14.047 0.768 -4.412 360 H LEU 44 HN LEU 44 -12.745 -2.285 -1.986 361 HA LEU 44 HA LEU 44 -12.064 -3.523 -4.603 362 HB2 LEU 44 HB2 LEU 44 -10.322 -3.321 -2.136 363 HB3 LEU 44 HB3 LEU 44 -9.879 -3.771 -3.767 364 HG LEU 44 HG LEU 44 -10.641 -0.983 -2.829 365 HD11 LEU 44 HD11 LEU 44 -8.439 -1.842 -2.030 366 HD12 LEU 44 HD12 LEU 44 -8.319 -0.428 -3.076 367 HD13 LEU 44 HD13 LEU 44 -7.916 -2.044 -3.685 368 HD21 LEU 44 HD21 LEU 44 -9.696 -1.883 -5.589 369 HD22 LEU 44 HD22 LEU 44 -9.810 -0.194 -5.038 370 HD23 LEU 44 HD23 LEU 44 -11.272 -1.177 -5.181 371 H LYS 45 HN LYS 45 -13.953 -4.117 -2.058 372 HA LYS 45 HA LYS 45 -14.750 -5.829 -0.870 373 HB2 LYS 45 HB2 LYS 45 -13.453 -7.337 -3.144 374 HB3 LYS 45 HB3 LYS 45 -14.228 -8.207 -1.843 375 HG2 LYS 45 HG2 LYS 45 -16.358 -6.996 -2.294 376 HG3 LYS 45 HG3 LYS 45 -15.542 -6.033 -3.532 377 HD2 LYS 45 HD2 LYS 45 -16.715 -7.650 -4.703 378 HD3 LYS 45 HD3 LYS 45 -15.038 -8.193 -4.777 379 HE2 LYS 45 HE2 LYS 45 -15.526 -9.859 -2.972 380 HE3 LYS 45 HE3 LYS 45 -17.178 -9.226 -2.861 381 HZ1 LYS 45 HZ1 LYS 45 -17.311 -11.109 -4.230 382 HZ2 LYS 45 HZ2 LYS 45 -15.993 -10.721 -5.112 383 HZ3 LYS 45 HZ3 LYS 45 -17.356 -9.834 -5.297 384 H LEU 46 HN LEU 46 -11.682 -4.983 -0.564 385 HA LEU 46 HA LEU 46 -10.508 -7.354 0.672 386 HB2 LEU 46 HB2 LEU 46 -9.626 -4.450 0.372 387 HB3 LEU 46 HB3 LEU 46 -8.676 -5.602 1.304 388 HG LEU 46 HG LEU 46 -9.359 -5.979 -1.634 389 HD11 LEU 46 HD11 LEU 46 -6.986 -5.370 -2.028 390 HD12 LEU 46 HD12 LEU 46 -6.805 -4.982 -0.305 391 HD13 LEU 46 HD13 LEU 46 -7.905 -4.038 -1.329 392 HD21 LEU 46 HD21 LEU 46 -7.513 -7.669 -1.547 393 HD22 LEU 46 HD22 LEU 46 -8.878 -8.135 -0.544 394 HD23 LEU 46 HD23 LEU 46 -7.417 -7.460 0.210 395 H SER 47 HN SER 47 -9.418 -7.069 2.835 396 HA SER 47 HA SER 47 -11.248 -6.013 4.920 397 HB2 SER 47 HB2 SER 47 -8.779 -7.761 4.877 398 HB3 SER 47 HB3 SER 47 -9.404 -7.097 6.381 399 HG SER 47 HG SER 47 -10.140 -9.317 5.361 400 H GLU 48 HN GLU 48 -10.515 -4.248 6.227 401 HA GLU 48 HA GLU 48 -9.032 -2.140 5.195 402 HB2 GLU 48 HB2 GLU 48 -9.487 -3.102 8.035 403 HB3 GLU 48 HB3 GLU 48 -8.522 -1.699 7.721 404 HG2 GLU 48 HG2 GLU 48 -10.436 -0.525 6.740 405 HG3 GLU 48 HG3 GLU 48 -11.457 -1.970 6.977 406 H VAL 49 HN VAL 49 -7.956 -4.752 7.333 407 HA VAL 49 HA VAL 49 -5.350 -3.815 7.785 408 HB VAL 49 HB VAL 49 -6.560 -6.591 7.897 409 HG11 VAL 49 HG11 VAL 49 -3.854 -5.606 8.857 410 HG12 VAL 49 HG12 VAL 49 -4.644 -7.069 9.499 411 HG13 VAL 49 HG13 VAL 49 -4.234 -6.984 7.792 412 HG21 VAL 49 HG21 VAL 49 -5.957 -4.551 10.074 413 HG22 VAL 49 HG22 VAL 49 -7.575 -4.914 9.441 414 HG23 VAL 49 HG23 VAL 49 -6.674 -6.153 10.318 415 H GLN 50 HN GLN 50 -6.584 -5.887 5.104 416 HA GLN 50 HA GLN 50 -4.044 -6.632 4.066 417 HB2 GLN 50 HB2 GLN 50 -6.691 -6.079 2.603 418 HB3 GLN 50 HB3 GLN 50 -5.357 -6.948 1.915 419 HG2 GLN 50 HG2 GLN 50 -6.809 -7.888 4.409 420 HG3 GLN 50 HG3 GLN 50 -7.342 -8.312 2.764 421 HE21 GLN 50 HE21 GLN 50 -3.965 -8.232 2.679 422 HE22 GLN 50 HE22 GLN 50 -3.700 -9.953 3.040 423 H VAL 51 HN VAL 51 -6.235 -3.906 3.311 424 HA VAL 51 HA VAL 51 -4.684 -2.653 1.319 425 HB VAL 51 HB VAL 51 -6.673 -1.475 3.334 426 HG11 VAL 51 HG11 VAL 51 -5.720 -0.405 0.661 427 HG12 VAL 51 HG12 VAL 51 -7.131 0.190 1.534 428 HG13 VAL 51 HG13 VAL 51 -5.542 0.348 2.259 429 HG21 VAL 51 HG21 VAL 51 -8.302 -1.809 1.527 430 HG22 VAL 51 HG22 VAL 51 -7.111 -2.696 0.576 431 HG23 VAL 51 HG23 VAL 51 -7.705 -3.343 2.133 432 H LYS 52 HN LYS 52 -4.895 -1.982 4.837 433 HA LYS 52 HA LYS 52 -2.882 0.016 4.939 434 HB2 LYS 52 HB2 LYS 52 -4.375 -0.170 6.723 435 HB3 LYS 52 HB3 LYS 52 -4.102 -1.899 6.939 436 HG2 LYS 52 HG2 LYS 52 -2.011 -1.601 7.949 437 HG3 LYS 52 HG3 LYS 52 -1.899 0.112 7.485 438 HD2 LYS 52 HD2 LYS 52 -3.058 0.796 9.293 439 HD3 LYS 52 HD3 LYS 52 -4.329 -0.410 9.049 440 HE2 LYS 52 HE2 LYS 52 -2.834 -2.140 10.059 441 HE3 LYS 52 HE3 LYS 52 -1.648 -0.884 10.415 442 HZ1 LYS 52 HZ1 LYS 52 -3.318 0.203 11.783 443 HZ2 LYS 52 HZ2 LYS 52 -3.081 -1.350 12.304 444 HZ3 LYS 52 HZ3 LYS 52 -4.424 -0.979 11.418 445 H ILE 53 HN ILE 53 -2.522 -3.575 5.041 446 HA ILE 53 HA ILE 53 0.308 -3.362 5.623 447 HB ILE 53 HB ILE 53 -1.346 -5.680 4.551 448 HG12 ILE 53 HG12 ILE 53 -0.032 -5.343 7.288 449 HG13 ILE 53 HG13 ILE 53 -1.665 -4.789 6.997 450 HG21 ILE 53 HG21 ILE 53 0.661 -7.096 5.156 451 HG22 ILE 53 HG22 ILE 53 1.021 -5.976 3.850 452 HG23 ILE 53 HG23 ILE 53 1.558 -5.607 5.511 453 HD11 ILE 53 HD11 ILE 53 -0.697 -7.672 6.817 454 HD12 ILE 53 HD12 ILE 53 -1.765 -6.950 8.025 455 HD13 ILE 53 HD13 ILE 53 -2.321 -7.116 6.343 456 H TRP 54 HN TRP 54 -1.597 -3.454 2.548 457 HA TRP 54 HA TRP 54 0.788 -3.707 0.942 458 HB2 TRP 54 HB2 TRP 54 -1.645 -4.071 0.266 459 HB3 TRP 54 HB3 TRP 54 -1.784 -2.318 0.138 460 HD1 TRP 54 HD1 TRP 54 -0.651 -5.351 -1.657 461 HE1 TRP 54 HE1 TRP 54 0.349 -4.752 -3.955 462 HE3 TRP 54 HE3 TRP 54 -0.397 -0.254 -1.169 463 HZ2 TRP 54 HZ2 TRP 54 1.338 -2.376 -5.312 464 HZ3 TRP 54 HZ3 TRP 54 0.544 1.140 -2.975 465 HH2 TRP 54 HH2 TRP 54 1.439 0.088 -5.037 466 H PHE 55 HN PHE 55 -1.151 -0.818 1.887 467 HA PHE 55 HA PHE 55 0.418 1.155 0.697 468 HB2 PHE 55 HB2 PHE 55 -1.312 1.109 3.169 469 HB3 PHE 55 HB3 PHE 55 -0.304 2.504 2.889 470 HD1 PHE 55 HD1 PHE 55 -0.500 3.881 0.786 471 HD2 PHE 55 HD2 PHE 55 -3.400 0.911 1.947 472 HE1 PHE 55 HE1 PHE 55 -2.193 4.942 -0.672 473 HE2 PHE 55 HE2 PHE 55 -5.086 2.004 0.474 474 HZ PHE 55 HZ PHE 55 -4.485 3.976 -0.836 475 H GLN 56 HN GLN 56 0.979 -0.329 3.944 476 HA GLN 56 HA GLN 56 3.259 1.363 4.456 477 HB2 GLN 56 HB2 GLN 56 3.751 0.017 6.266 478 HB3 GLN 56 HB3 GLN 56 1.957 0.292 6.240 479 HG2 GLN 56 HG2 GLN 56 1.827 -1.969 5.223 480 HG3 GLN 56 HG3 GLN 56 3.542 -2.175 5.639 481 HE21 GLN 56 HE21 GLN 56 0.261 -1.696 6.884 482 HE22 GLN 56 HE22 GLN 56 0.525 -2.418 8.453 483 H ASN 57 HN ASN 57 2.955 -1.767 2.857 484 HA ASN 57 HA ASN 57 5.810 -2.310 2.987 485 HB2 ASN 57 HB2 ASN 57 3.343 -3.690 1.864 486 HB3 ASN 57 HB3 ASN 57 4.923 -4.159 1.326 487 HD21 ASN 57 HD21 ASN 57 2.814 -4.152 4.180 488 HD22 ASN 57 HD22 ASN 57 3.917 -4.951 5.274 489 H GLU 58 HN GLU 58 3.634 -0.682 0.847 490 HA GLU 58 HA GLU 58 5.542 -0.507 -1.385 491 HB2 GLU 58 HB2 GLU 58 3.059 -0.283 -1.652 492 HB3 GLU 58 HB3 GLU 58 3.099 1.212 -0.725 493 HG2 GLU 58 HG2 GLU 58 3.049 1.724 -3.115 494 HG3 GLU 58 HG3 GLU 58 4.589 2.230 -2.426 495 H ARG 59 HN ARG 59 4.517 1.507 1.427 496 HA ARG 59 HA ARG 59 6.251 3.700 1.031 497 HB2 ARG 59 HB2 ARG 59 4.520 2.699 3.167 498 HB3 ARG 59 HB3 ARG 59 5.969 3.358 3.847 499 HG2 ARG 59 HG2 ARG 59 4.864 5.164 1.780 500 HG3 ARG 59 HG3 ARG 59 3.667 4.753 2.978 501 HD2 ARG 59 HD2 ARG 59 4.766 6.769 3.678 502 HD3 ARG 59 HD3 ARG 59 5.248 5.480 4.779 503 HE ARG 59 HE ARG 59 7.407 5.709 4.067 504 HH11 ARG 59 HH11 ARG 59 5.398 7.329 1.525 505 HH12 ARG 59 HH12 ARG 59 6.769 7.996 0.754 506 HH21 ARG 59 HH21 ARG 59 9.100 6.633 3.090 507 HH22 ARG 59 HH22 ARG 59 8.908 7.824 1.820 508 H ALA 60 HN ALA 60 7.320 0.608 1.613 509 HA ALA 60 HA ALA 60 9.947 1.670 2.559 510 HB1 ALA 60 HB1 ALA 60 8.976 -1.200 2.540 511 HB2 ALA 60 HB2 ALA 60 10.604 -0.604 2.960 512 HB3 ALA 60 HB3 ALA 60 9.208 -0.146 3.966 513 H LYS 61 HN LYS 61 8.431 -0.528 0.068 514 HA LYS 61 HA LYS 61 10.951 -0.847 -1.284 515 HB2 LYS 61 HB2 LYS 61 9.820 -2.210 -2.750 516 HB3 LYS 61 HB3 LYS 61 8.698 -2.259 -1.386 517 HG2 LYS 61 HG2 LYS 61 7.336 -0.474 -2.510 518 HG3 LYS 61 HG3 LYS 61 8.416 -0.562 -3.896 519 HD2 LYS 61 HD2 LYS 61 7.651 -3.255 -3.328 520 HD3 LYS 61 HD3 LYS 61 6.184 -2.300 -3.201 521 HE2 LYS 61 HE2 LYS 61 8.141 -2.355 -5.536 522 HE3 LYS 61 HE3 LYS 61 6.568 -3.171 -5.474 523 HZ1 LYS 61 HZ1 LYS 61 6.616 -1.064 -6.734 524 HZ2 LYS 61 HZ2 LYS 61 6.849 -0.232 -5.329 525 HZ3 LYS 61 HZ3 LYS 61 5.501 -1.040 -5.463 526 H TRP 62 HN TRP 62 8.512 1.672 -1.510 527 HA TRP 62 HA TRP 62 9.617 2.675 -3.983 528 HB2 TRP 62 HB2 TRP 62 7.290 3.018 -2.967 529 HB3 TRP 62 HB3 TRP 62 8.025 4.340 -2.048 530 HD1 TRP 62 HD1 TRP 62 6.607 3.308 -5.315 531 HE1 TRP 62 HE1 TRP 62 6.943 4.966 -7.181 532 HE3 TRP 62 HE3 TRP 62 9.838 6.400 -2.927 533 HZ2 TRP 62 HZ2 TRP 62 8.462 7.489 -7.585 534 HZ3 TRP 62 HZ3 TRP 62 10.788 8.423 -4.099 535 HH2 TRP 62 HH2 TRP 62 10.087 8.943 -6.408 536 H LYS 63 HN LYS 63 10.504 3.012 -0.525 537 HA LYS 63 HA LYS 63 11.980 5.470 -0.913 538 HB2 LYS 63 HB2 LYS 63 11.980 3.336 1.261 539 HB3 LYS 63 HB3 LYS 63 13.294 4.498 1.163 540 HG2 LYS 63 HG2 LYS 63 11.062 6.160 0.876 541 HG3 LYS 63 HG3 LYS 63 10.454 4.902 1.921 542 HD2 LYS 63 HD2 LYS 63 11.317 6.634 3.340 543 HD3 LYS 63 HD3 LYS 63 12.547 5.357 3.418 544 HE2 LYS 63 HE2 LYS 63 13.948 6.541 1.801 545 HE3 LYS 63 HE3 LYS 63 12.634 7.640 1.406 546 HZ1 LYS 63 HZ1 LYS 63 12.851 8.581 3.680 547 HZ2 LYS 63 HZ2 LYS 63 14.170 8.750 2.755 548 HZ3 LYS 63 HZ3 LYS 63 14.194 7.618 3.907 549 H ARG 64 HN ARG 64 12.833 2.111 -1.719 550 HA ARG 64 HA ARG 64 15.579 2.710 -2.090 551 HB2 ARG 64 HB2 ARG 64 15.878 0.592 -2.713 552 HB3 ARG 64 HB3 ARG 64 14.319 0.477 -1.842 553 HG2 ARG 64 HG2 ARG 64 13.233 0.887 -3.995 554 HG3 ARG 64 HG3 ARG 64 14.746 0.537 -4.830 555 HD2 ARG 64 HD2 ARG 64 14.882 -1.696 -3.947 556 HD3 ARG 64 HD3 ARG 64 13.613 -1.377 -2.762 557 HE ARG 64 HE ARG 64 12.772 -1.169 -5.556 558 HH11 ARG 64 HH11 ARG 64 13.391 -3.533 -3.009 559 HH12 ARG 64 HH12 ARG 64 11.890 -4.396 -3.183 560 HH21 ARG 64 HH21 ARG 64 10.849 -2.379 -5.919 561 HH22 ARG 64 HH22 ARG 64 10.675 -3.987 -5.246 562 H ILE 65 HN ILE 65 12.882 3.464 -3.974 563 HA ILE 65 HA ILE 65 13.909 3.609 -6.610 564 HB ILE 65 HB ILE 65 11.753 5.300 -5.462 565 HG12 ILE 65 HG12 ILE 65 11.268 2.921 -5.261 566 HG13 ILE 65 HG13 ILE 65 10.396 3.657 -6.590 567 HG21 ILE 65 HG21 ILE 65 12.752 4.820 -8.277 568 HG22 ILE 65 HG22 ILE 65 11.102 5.425 -7.921 569 HG23 ILE 65 HG23 ILE 65 12.538 6.357 -7.447 570 HD11 ILE 65 HD11 ILE 65 10.977 1.522 -7.282 571 HD12 ILE 65 HD12 ILE 65 12.007 2.630 -8.194 572 HD13 ILE 65 HD13 ILE 65 12.669 1.725 -6.800 573 H LYS 66 HN LYS 66 14.148 5.816 -3.881 574 HA LYS 66 HA LYS 66 14.800 8.186 -5.386 575 HB2 LYS 66 HB2 LYS 66 14.236 7.453 -2.598 576 HB3 LYS 66 HB3 LYS 66 15.592 8.543 -2.652 577 HG2 LYS 66 HG2 LYS 66 13.374 9.436 -4.426 578 HG3 LYS 66 HG3 LYS 66 12.893 9.228 -2.752 579 HD2 LYS 66 HD2 LYS 66 13.604 11.498 -3.069 580 HD3 LYS 66 HD3 LYS 66 14.747 10.680 -1.998 581 HE2 LYS 66 HE2 LYS 66 16.290 10.348 -3.975 582 HE3 LYS 66 HE3 LYS 66 15.138 11.261 -4.973 583 HZ1 LYS 66 HZ1 LYS 66 16.658 12.281 -2.649 584 HZ2 LYS 66 HZ2 LYS 66 15.442 13.112 -3.378 585 HZ3 LYS 66 HZ3 LYS 66 16.795 12.805 -4.194 586 H ALA 67 HN ALA 67 16.345 7.292 -6.683 587 HA ALA 67 HA ALA 67 18.755 6.248 -6.098 588 HB1 ALA 67 HB1 ALA 67 19.574 7.113 -8.264 589 HB2 ALA 67 HB2 ALA 67 17.942 6.465 -8.380 590 HB3 ALA 67 HB3 ALA 67 18.189 8.216 -8.356 591 H GLY 68 HN GLY 68 18.169 9.664 -6.722 592 HA2 GLY 68 HA1 GLY 68 19.019 11.004 -4.565 593 HA3 GLY 68 HA2 GLY 68 20.589 10.529 -5.194 594 H ASN 69 HN ASN 69 19.459 10.903 -8.095 595 HA ASN 69 HA ASN 69 19.854 13.821 -8.213 596 HB2 ASN 69 HB2 ASN 69 21.944 12.321 -8.563 597 HB3 ASN 69 HB3 ASN 69 21.184 11.865 -10.087 598 HD21 ASN 69 HD21 ASN 69 20.248 14.154 -11.199 599 HD22 ASN 69 HD22 ASN 69 21.399 15.459 -11.188 600 H VAL 70 HN VAL 70 17.403 12.467 -8.250 601 HA VAL 70 HA VAL 70 16.380 12.635 -10.994 602 HB VAL 70 HB VAL 70 15.293 11.231 -9.333 603 HG11 VAL 70 HG11 VAL 70 14.555 13.768 -7.819 604 HG12 VAL 70 HG12 VAL 70 13.976 12.136 -7.467 605 HG13 VAL 70 HG13 VAL 70 15.685 12.529 -7.246 606 HG21 VAL 70 HG21 VAL 70 14.026 12.252 -11.201 607 HG22 VAL 70 HG22 VAL 70 13.038 11.758 -9.811 608 HG23 VAL 70 HG23 VAL 70 13.421 13.480 -10.080 609 H SER 71 HN SER 71 17.553 14.645 -8.624 610 HA SER 71 HA SER 71 16.501 17.072 -9.991 611 HB2 SER 71 HB2 SER 71 17.447 16.748 -7.115 612 HB3 SER 71 HB3 SER 71 17.442 18.296 -7.973 613 HG SER 71 HG SER 71 15.379 18.427 -7.909 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 8.692 0.837 19.605 2 HA2 GLY 1 HA1 GLY 1 9.149 -1.556 20.044 3 HA3 GLY 1 HA2 GLY 1 7.568 -1.275 19.278 4 H ALA 2 HN ALA 2 7.194 -2.739 17.728 5 HA ALA 2 HA ALA 2 7.474 -4.198 15.993 6 HB1 ALA 2 HB1 ALA 2 8.742 -1.663 14.910 7 HB2 ALA 2 HB2 ALA 2 7.887 -2.918 13.992 8 HB3 ALA 2 HB3 ALA 2 6.999 -1.927 15.153 9 HA PRO 3 HA PRO 3 11.993 -4.930 17.111 10 HB2 PRO 3 HB2 PRO 3 11.810 -7.675 17.687 11 HB3 PRO 3 HB3 PRO 3 11.631 -6.347 18.853 12 HG2 PRO 3 HG2 PRO 3 9.469 -7.863 17.365 13 HG3 PRO 3 HG3 PRO 3 9.492 -7.407 19.093 14 HD2 PRO 3 HD2 PRO 3 8.083 -5.958 17.328 15 HD3 PRO 3 HD3 PRO 3 9.039 -5.132 18.596 16 H GLY 4 HN GLY 4 10.220 -7.606 15.450 17 HA2 GLY 4 HA1 GLY 4 11.515 -7.283 12.924 18 HA3 GLY 4 HA2 GLY 4 12.198 -8.618 13.870 19 H GLY 5 HN GLY 5 10.551 -8.986 11.462 20 HA2 GLY 5 HA1 GLY 5 8.964 -11.041 11.833 21 HA3 GLY 5 HA2 GLY 5 7.915 -9.814 12.537 22 H LYS 6 HN LYS 6 6.748 -8.452 11.336 23 HA LYS 6 HA LYS 6 6.597 -9.268 8.473 24 HB2 LYS 6 HB2 LYS 6 4.333 -8.639 10.415 25 HB3 LYS 6 HB3 LYS 6 4.183 -9.044 8.711 26 HG2 LYS 6 HG2 LYS 6 3.718 -11.076 9.649 27 HG3 LYS 6 HG3 LYS 6 5.441 -11.260 9.324 28 HD2 LYS 6 HD2 LYS 6 5.909 -10.746 11.744 29 HD3 LYS 6 HD3 LYS 6 4.194 -10.472 12.005 30 HE2 LYS 6 HE2 LYS 6 4.879 -12.645 12.850 31 HE3 LYS 6 HE3 LYS 6 3.706 -12.826 11.542 32 HZ1 LYS 6 HZ1 LYS 6 5.568 -14.377 11.423 33 HZ2 LYS 6 HZ2 LYS 6 6.647 -13.169 11.157 34 HZ3 LYS 6 HZ3 LYS 6 5.434 -13.506 10.081 35 H SER 7 HN SER 7 7.656 -7.621 7.537 36 HA SER 7 HA SER 7 6.145 -5.132 7.328 37 HB2 SER 7 HB2 SER 7 9.015 -5.185 8.299 38 HB3 SER 7 HB3 SER 7 8.381 -3.819 7.352 39 HG SER 7 HG SER 7 8.034 -4.307 9.931 40 H ARG 8 HN ARG 8 9.477 -5.877 6.179 41 HA ARG 8 HA ARG 8 8.798 -5.056 3.524 42 HB2 ARG 8 HB2 ARG 8 11.098 -5.146 4.767 43 HB3 ARG 8 HB3 ARG 8 11.090 -6.864 4.387 44 HG2 ARG 8 HG2 ARG 8 10.634 -5.650 1.898 45 HG3 ARG 8 HG3 ARG 8 11.719 -4.521 2.704 46 HD2 ARG 8 HD2 ARG 8 12.178 -7.479 2.158 47 HD3 ARG 8 HD3 ARG 8 13.003 -6.121 1.400 48 HE ARG 8 HE ARG 8 13.314 -7.109 4.203 49 HH11 ARG 8 HH11 ARG 8 14.678 -4.992 1.591 50 HH12 ARG 8 HH12 ARG 8 16.237 -5.039 2.269 51 HH21 ARG 8 HH21 ARG 8 15.414 -6.958 5.153 52 HH22 ARG 8 HH22 ARG 8 16.605 -5.992 4.393 53 H ARG 9 HN ARG 9 8.340 -6.375 1.658 54 HA ARG 9 HA ARG 9 7.994 -8.192 0.364 55 HB2 ARG 9 HB2 ARG 9 10.219 -8.803 1.682 56 HB3 ARG 9 HB3 ARG 9 9.217 -10.034 2.439 57 HG2 ARG 9 HG2 ARG 9 8.830 -11.091 0.267 58 HG3 ARG 9 HG3 ARG 9 9.666 -9.751 -0.561 59 HD2 ARG 9 HD2 ARG 9 11.731 -10.303 0.786 60 HD3 ARG 9 HD3 ARG 9 10.894 -11.693 1.453 61 HE ARG 9 HE ARG 9 11.666 -11.230 -1.399 62 HH11 ARG 9 HH11 ARG 9 11.012 -13.622 1.199 63 HH12 ARG 9 HH12 ARG 9 11.311 -14.955 0.175 64 HH21 ARG 9 HH21 ARG 9 12.220 -13.072 -2.644 65 HH22 ARG 9 HH22 ARG 9 12.027 -14.660 -1.976 66 H ARG 10 HN ARG 10 6.898 -10.456 0.336 67 HA ARG 10 HA ARG 10 5.027 -11.633 0.530 68 HB2 ARG 10 HB2 ARG 10 5.962 -12.446 2.564 69 HB3 ARG 10 HB3 ARG 10 5.332 -11.092 3.505 70 HG2 ARG 10 HG2 ARG 10 3.170 -11.851 3.468 71 HG3 ARG 10 HG3 ARG 10 3.351 -12.671 1.925 72 HD2 ARG 10 HD2 ARG 10 4.460 -13.627 4.597 73 HD3 ARG 10 HD3 ARG 10 2.968 -14.202 3.860 74 HE ARG 10 HE ARG 10 5.596 -15.113 3.348 75 HH11 ARG 10 HH11 ARG 10 2.587 -14.418 1.561 76 HH12 ARG 10 HH12 ARG 10 3.001 -15.411 0.211 77 HH21 ARG 10 HH21 ARG 10 5.811 -16.882 1.820 78 HH22 ARG 10 HH22 ARG 10 4.806 -16.933 0.421 79 H ARG 11 HN ARG 11 4.180 -9.983 -0.812 80 HA ARG 11 HA ARG 11 2.079 -8.237 0.272 81 HB2 ARG 11 HB2 ARG 11 3.062 -8.933 -2.527 82 HB3 ARG 11 HB3 ARG 11 1.525 -8.105 -2.305 83 HG2 ARG 11 HG2 ARG 11 2.710 -6.366 -0.911 84 HG3 ARG 11 HG3 ARG 11 4.228 -7.039 -1.528 85 HD2 ARG 11 HD2 ARG 11 1.898 -5.987 -3.213 86 HD3 ARG 11 HD3 ARG 11 3.370 -5.089 -2.848 87 HE ARG 11 HE ARG 11 2.999 -7.258 -4.795 88 HH11 ARG 11 HH11 ARG 11 5.197 -4.821 -3.635 89 HH12 ARG 11 HH12 ARG 11 6.669 -5.636 -4.116 90 HH21 ARG 11 HH21 ARG 11 4.828 -8.107 -5.909 91 HH22 ARG 11 HH22 ARG 11 6.351 -7.297 -5.796 92 H THR 12 HN THR 12 0.072 -8.799 -1.643 93 HA THR 12 HA THR 12 -1.137 -11.347 -0.829 94 HB THR 12 HB THR 12 -2.398 -8.639 -0.815 95 HG1 THR 12 HG1 THR 12 -1.819 -8.396 1.148 96 HG21 THR 12 HG21 THR 12 -4.107 -10.345 -1.130 97 HG22 THR 12 HG22 THR 12 -4.209 -9.737 0.515 98 HG23 THR 12 HG23 THR 12 -3.435 -11.308 0.206 99 H ALA 13 HN ALA 13 -2.956 -11.913 -2.404 100 HA ALA 13 HA ALA 13 -2.287 -11.233 -5.142 101 HB1 ALA 13 HB1 ALA 13 -4.242 -12.613 -5.674 102 HB2 ALA 13 HB2 ALA 13 -3.191 -13.464 -4.527 103 HB3 ALA 13 HB3 ALA 13 -4.695 -12.697 -3.966 104 H PHE 14 HN PHE 14 -2.516 -9.034 -5.391 105 HA PHE 14 HA PHE 14 -5.257 -7.871 -5.231 106 HB2 PHE 14 HB2 PHE 14 -2.466 -6.718 -4.873 107 HB3 PHE 14 HB3 PHE 14 -3.725 -5.692 -5.504 108 HD1 PHE 14 HD1 PHE 14 -4.103 -8.231 -2.714 109 HD2 PHE 14 HD2 PHE 14 -4.080 -4.107 -3.872 110 HE1 PHE 14 HE1 PHE 14 -4.697 -7.635 -0.452 111 HE2 PHE 14 HE2 PHE 14 -4.775 -3.500 -1.546 112 HZ PHE 14 HZ PHE 14 -4.995 -5.237 0.177 113 H THR 15 HN THR 15 -5.997 -7.106 -7.220 114 HA THR 15 HA THR 15 -4.581 -8.158 -9.606 115 HB THR 15 HB THR 15 -6.586 -7.450 -10.866 116 HG1 THR 15 HG1 THR 15 -8.330 -6.777 -9.998 117 HG21 THR 15 HG21 THR 15 -7.111 -9.471 -8.628 118 HG22 THR 15 HG22 THR 15 -6.359 -9.824 -10.202 119 HG23 THR 15 HG23 THR 15 -8.062 -9.338 -10.126 120 H SER 16 HN SER 16 -4.359 -6.774 -11.427 121 HA SER 16 HA SER 16 -2.908 -4.567 -10.684 122 HB2 SER 16 HB2 SER 16 -2.442 -4.352 -12.904 123 HB3 SER 16 HB3 SER 16 -2.785 -6.083 -12.615 124 HG SER 16 HG SER 16 -4.859 -5.763 -13.552 125 H GLU 17 HN GLU 17 -6.296 -4.589 -11.147 126 HA GLU 17 HA GLU 17 -6.826 -1.793 -11.632 127 HB2 GLU 17 HB2 GLU 17 -8.475 -3.851 -10.104 128 HB3 GLU 17 HB3 GLU 17 -9.069 -2.408 -10.907 129 HG2 GLU 17 HG2 GLU 17 -9.189 -3.447 -12.950 130 HG3 GLU 17 HG3 GLU 17 -7.766 -4.449 -12.693 131 H GLN 18 HN GLN 18 -6.668 -3.981 -8.766 132 HA GLN 18 HA GLN 18 -7.340 -1.976 -6.839 133 HB2 GLN 18 HB2 GLN 18 -5.912 -4.630 -6.368 134 HB3 GLN 18 HB3 GLN 18 -6.913 -3.733 -5.236 135 HG2 GLN 18 HG2 GLN 18 -8.925 -4.221 -6.723 136 HG3 GLN 18 HG3 GLN 18 -7.869 -5.132 -7.767 137 HE21 GLN 18 HE21 GLN 18 -9.981 -5.541 -4.990 138 HE22 GLN 18 HE22 GLN 18 -9.349 -7.101 -4.604 139 H LEU 19 HN LEU 19 -4.289 -3.206 -8.344 140 HA LEU 19 HA LEU 19 -2.641 -1.799 -6.390 141 HB2 LEU 19 HB2 LEU 19 -1.976 -2.974 -9.110 142 HB3 LEU 19 HB3 LEU 19 -0.850 -2.115 -8.106 143 HG LEU 19 HG LEU 19 -1.577 -3.908 -6.206 144 HD11 LEU 19 HD11 LEU 19 -1.976 -6.056 -7.144 145 HD12 LEU 19 HD12 LEU 19 -2.255 -5.340 -8.732 146 HD13 LEU 19 HD13 LEU 19 -3.285 -4.872 -7.355 147 HD21 LEU 19 HD21 LEU 19 0.775 -3.830 -7.331 148 HD22 LEU 19 HD22 LEU 19 0.082 -4.846 -8.603 149 HD23 LEU 19 HD23 LEU 19 0.168 -5.456 -6.953 150 H LEU 20 HN LEU 20 -4.530 -0.796 -9.160 151 HA LEU 20 HA LEU 20 -2.846 1.437 -9.944 152 HB2 LEU 20 HB2 LEU 20 -4.625 0.123 -11.322 153 HB3 LEU 20 HB3 LEU 20 -5.817 1.137 -10.517 154 HG LEU 20 HG LEU 20 -3.538 2.077 -12.301 155 HD11 LEU 20 HD11 LEU 20 -5.357 2.537 -13.888 156 HD12 LEU 20 HD12 LEU 20 -6.556 2.091 -12.649 157 HD13 LEU 20 HD13 LEU 20 -5.476 0.853 -13.357 158 HD21 LEU 20 HD21 LEU 20 -3.955 3.886 -10.735 159 HD22 LEU 20 HD22 LEU 20 -5.716 3.701 -10.912 160 HD23 LEU 20 HD23 LEU 20 -4.727 4.298 -12.260 161 H GLU 21 HN GLU 21 -6.029 1.091 -8.292 162 HA GLU 21 HA GLU 21 -6.174 3.838 -7.592 163 HB2 GLU 21 HB2 GLU 21 -7.583 1.773 -5.929 164 HB3 GLU 21 HB3 GLU 21 -8.121 3.372 -6.417 165 HG2 GLU 21 HG2 GLU 21 -7.988 0.857 -8.094 166 HG3 GLU 21 HG3 GLU 21 -9.429 1.692 -7.508 167 H LEU 22 HN LEU 22 -4.576 1.176 -6.030 168 HA LEU 22 HA LEU 22 -4.035 2.476 -3.481 169 HB2 LEU 22 HB2 LEU 22 -3.201 0.026 -4.978 170 HB3 LEU 22 HB3 LEU 22 -1.988 0.674 -3.924 171 HG LEU 22 HG LEU 22 -3.121 0.277 -1.972 172 HD11 LEU 22 HD11 LEU 22 -5.692 0.043 -3.563 173 HD12 LEU 22 HD12 LEU 22 -5.317 1.250 -2.330 174 HD13 LEU 22 HD13 LEU 22 -5.555 -0.436 -1.858 175 HD21 LEU 22 HD21 LEU 22 -2.606 -1.794 -3.600 176 HD22 LEU 22 HD22 LEU 22 -4.348 -1.986 -3.521 177 HD23 LEU 22 HD23 LEU 22 -3.370 -2.005 -2.025 178 H ARG 23 HN ARG 23 -2.515 2.619 -6.699 179 HA ARG 23 HA ARG 23 -0.143 3.923 -5.578 180 HB2 ARG 23 HB2 ARG 23 -1.026 3.362 -8.428 181 HB3 ARG 23 HB3 ARG 23 0.439 4.275 -8.027 182 HG2 ARG 23 HG2 ARG 23 1.426 2.352 -6.877 183 HG3 ARG 23 HG3 ARG 23 -0.086 1.497 -6.937 184 HD2 ARG 23 HD2 ARG 23 1.092 0.491 -8.645 185 HD3 ARG 23 HD3 ARG 23 0.076 1.643 -9.523 186 HE ARG 23 HE ARG 23 2.477 2.998 -8.958 187 HH11 ARG 23 HH11 ARG 23 1.269 0.515 -11.188 188 HH12 ARG 23 HH12 ARG 23 2.838 0.137 -11.817 189 HH21 ARG 23 HH21 ARG 23 4.458 2.857 -10.197 190 HH22 ARG 23 HH22 ARG 23 4.551 1.704 -11.471 191 H LYS 24 HN LYS 24 -3.288 4.662 -7.100 192 HA LYS 24 HA LYS 24 -2.951 7.452 -7.350 193 HB2 LYS 24 HB2 LYS 24 -5.487 5.968 -6.596 194 HB3 LYS 24 HB3 LYS 24 -5.427 7.653 -7.035 195 HG2 LYS 24 HG2 LYS 24 -4.284 5.696 -9.023 196 HG3 LYS 24 HG3 LYS 24 -6.028 5.687 -8.763 197 HD2 LYS 24 HD2 LYS 24 -6.180 8.074 -9.301 198 HD3 LYS 24 HD3 LYS 24 -4.423 8.129 -9.604 199 HE2 LYS 24 HE2 LYS 24 -4.614 6.522 -11.407 200 HE3 LYS 24 HE3 LYS 24 -6.304 6.171 -11.001 201 HZ1 LYS 24 HZ1 LYS 24 -5.356 8.790 -11.979 202 HZ2 LYS 24 HZ2 LYS 24 -6.933 8.308 -11.760 203 HZ3 LYS 24 HZ3 LYS 24 -6.023 7.596 -12.924 204 H GLU 25 HN GLU 25 -3.780 5.448 -4.497 205 HA GLU 25 HA GLU 25 -3.850 7.787 -2.765 206 HB2 GLU 25 HB2 GLU 25 -3.759 4.803 -2.243 207 HB3 GLU 25 HB3 GLU 25 -3.706 5.989 -0.931 208 HG2 GLU 25 HG2 GLU 25 -5.922 5.947 -3.010 209 HG3 GLU 25 HG3 GLU 25 -6.002 5.048 -1.495 210 H PHE 26 HN PHE 26 -1.304 5.639 -3.850 211 HA PHE 26 HA PHE 26 0.626 6.170 -1.872 212 HB2 PHE 26 HB2 PHE 26 0.724 4.451 -3.715 213 HB3 PHE 26 HB3 PHE 26 1.181 5.740 -4.838 214 HD1 PHE 26 HD1 PHE 26 2.121 3.837 -1.864 215 HD2 PHE 26 HD2 PHE 26 3.491 6.607 -4.857 216 HE1 PHE 26 HE1 PHE 26 4.417 3.480 -1.111 217 HE2 PHE 26 HE2 PHE 26 5.837 6.252 -4.106 218 HZ PHE 26 HZ PHE 26 6.304 4.709 -2.190 219 H HIS 27 HN HIS 27 -0.200 8.026 -4.814 220 HA HIS 27 HA HIS 27 1.943 9.963 -4.279 221 HB2 HIS 27 HB2 HIS 27 1.273 10.998 -6.339 222 HB3 HIS 27 HB3 HIS 27 1.451 9.275 -6.565 223 HD1 HIS 27 HD1 HIS 27 -1.711 11.508 -5.697 224 HD2 HIS 27 HD2 HIS 27 -0.280 8.528 -8.331 225 HE1 HIS 27 HE1 HIS 27 -3.601 10.955 -7.264 226 H CYS 28 HN CYS 28 -1.129 9.539 -2.934 227 HA CYS 28 HA CYS 28 -1.812 12.413 -3.000 228 HB2 CYS 28 HB2 CYS 28 -3.537 10.855 -3.736 229 HB3 CYS 28 HB3 CYS 28 -3.503 10.020 -2.177 230 HG CYS 28 HG CYS 28 -4.037 13.275 -2.643 231 H LYS 29 HN LYS 29 -2.450 10.035 -0.386 232 HA LYS 29 HA LYS 29 -1.684 12.159 1.524 233 HB2 LYS 29 HB2 LYS 29 -2.750 9.356 2.125 234 HB3 LYS 29 HB3 LYS 29 -2.524 10.698 3.242 235 HG2 LYS 29 HG2 LYS 29 -4.740 10.901 2.952 236 HG3 LYS 29 HG3 LYS 29 -4.206 11.974 1.652 237 HD2 LYS 29 HD2 LYS 29 -4.608 10.173 0.004 238 HD3 LYS 29 HD3 LYS 29 -5.012 9.049 1.314 239 HE2 LYS 29 HE2 LYS 29 -6.902 10.450 1.992 240 HE3 LYS 29 HE3 LYS 29 -6.521 11.639 0.732 241 HZ1 LYS 29 HZ1 LYS 29 -7.109 10.067 -0.935 242 HZ2 LYS 29 HZ2 LYS 29 -8.287 9.902 0.201 243 HZ3 LYS 29 HZ3 LYS 29 -7.051 8.820 0.059 244 H LYS 30 HN LYS 30 0.129 12.001 2.913 245 HA LYS 30 HA LYS 30 2.215 10.162 2.247 246 HB2 LYS 30 HB2 LYS 30 3.186 10.730 4.487 247 HB3 LYS 30 HB3 LYS 30 3.004 12.049 3.360 248 HG2 LYS 30 HG2 LYS 30 0.805 11.593 5.375 249 HG3 LYS 30 HG3 LYS 30 2.361 12.243 5.921 250 HD2 LYS 30 HD2 LYS 30 2.145 14.037 4.133 251 HD3 LYS 30 HD3 LYS 30 0.449 13.526 3.947 252 HE2 LYS 30 HE2 LYS 30 0.138 13.888 6.422 253 HE3 LYS 30 HE3 LYS 30 1.803 14.467 6.519 254 HZ1 LYS 30 HZ1 LYS 30 -0.409 15.733 5.020 255 HZ2 LYS 30 HZ2 LYS 30 1.138 16.219 4.896 256 HZ3 LYS 30 HZ3 LYS 30 0.353 16.312 6.347 257 H TYR 31 HN TYR 31 -0.470 9.954 4.647 258 HA TYR 31 HA TYR 31 -0.122 7.062 4.739 259 HB2 TYR 31 HB2 TYR 31 -0.466 7.159 7.250 260 HB3 TYR 31 HB3 TYR 31 1.135 7.531 6.642 261 HD1 TYR 31 HD2 TYR 31 -2.021 9.163 7.885 262 HD2 TYR 31 HD1 TYR 31 2.180 9.603 7.100 263 HE1 TYR 31 HE2 TYR 31 -2.017 11.290 9.122 264 HE2 TYR 31 HE1 TYR 31 2.192 11.767 8.326 265 HH TYR 31 HH TYR 31 -0.267 12.678 10.384 266 H LEU 32 HN LEU 32 -2.092 6.008 5.360 267 HA LEU 32 HA LEU 32 -4.556 7.648 5.032 268 HB2 LEU 32 HB2 LEU 32 -4.234 4.658 5.571 269 HB3 LEU 32 HB3 LEU 32 -5.733 5.495 5.255 270 HG LEU 32 HG LEU 32 -3.520 4.861 3.323 271 HD11 LEU 32 HD11 LEU 32 -5.424 3.809 2.079 272 HD12 LEU 32 HD12 LEU 32 -6.525 4.329 3.354 273 HD13 LEU 32 HD13 LEU 32 -5.238 3.153 3.708 274 HD21 LEU 32 HD21 LEU 32 -5.850 6.728 2.726 275 HD22 LEU 32 HD22 LEU 32 -4.756 6.001 1.533 276 HD23 LEU 32 HD23 LEU 32 -4.119 7.150 2.717 277 H SER 33 HN SER 33 -6.283 7.166 6.705 278 HA SER 33 HA SER 33 -5.296 6.510 9.430 279 HB2 SER 33 HB2 SER 33 -7.447 8.493 8.573 280 HB3 SER 33 HB3 SER 33 -7.393 7.785 10.179 281 HG SER 33 HG SER 33 -6.241 9.424 10.548 282 H LEU 34 HN LEU 34 -7.450 5.679 10.697 283 HA LEU 34 HA LEU 34 -8.070 3.191 9.469 284 HB2 LEU 34 HB2 LEU 34 -9.114 4.716 11.875 285 HB3 LEU 34 HB3 LEU 34 -9.826 3.208 11.392 286 HG LEU 34 HG LEU 34 -8.242 3.033 13.248 287 HD11 LEU 34 HD11 LEU 34 -7.384 1.508 10.771 288 HD12 LEU 34 HD12 LEU 34 -8.740 1.082 11.832 289 HD13 LEU 34 HD13 LEU 34 -7.082 1.021 12.456 290 HD21 LEU 34 HD21 LEU 34 -6.557 4.706 12.543 291 HD22 LEU 34 HD22 LEU 34 -5.995 3.584 11.277 292 HD23 LEU 34 HD23 LEU 34 -5.859 3.148 12.990 293 H THR 35 HN THR 35 -9.981 6.244 9.784 294 HA THR 35 HA THR 35 -12.325 5.213 8.562 295 HB THR 35 HB THR 35 -11.268 8.055 8.554 296 HG1 THR 35 HG1 THR 35 -11.708 7.031 10.704 297 HG21 THR 35 HG21 THR 35 -13.121 7.653 6.908 298 HG22 THR 35 HG22 THR 35 -13.629 8.692 8.246 299 HG23 THR 35 HG23 THR 35 -14.114 6.985 8.214 300 H GLU 36 HN GLU 36 -9.623 7.105 7.073 301 HA GLU 36 HA GLU 36 -10.339 7.036 4.442 302 HB2 GLU 36 HB2 GLU 36 -7.555 6.621 5.564 303 HB3 GLU 36 HB3 GLU 36 -7.899 7.172 3.944 304 HG2 GLU 36 HG2 GLU 36 -8.592 8.707 6.485 305 HG3 GLU 36 HG3 GLU 36 -7.102 8.880 5.558 306 H ARG 37 HN ARG 37 -8.578 4.496 6.233 307 HA ARG 37 HA ARG 37 -8.101 2.703 4.061 308 HB2 ARG 37 HB2 ARG 37 -8.320 2.432 7.073 309 HB3 ARG 37 HB3 ARG 37 -8.251 0.984 6.065 310 HG2 ARG 37 HG2 ARG 37 -6.116 1.538 5.179 311 HG3 ARG 37 HG3 ARG 37 -6.158 3.167 5.885 312 HD2 ARG 37 HD2 ARG 37 -4.738 1.320 7.044 313 HD3 ARG 37 HD3 ARG 37 -5.721 2.422 8.027 314 HE ARG 37 HE ARG 37 -7.391 0.285 7.496 315 HH11 ARG 37 HH11 ARG 37 -4.351 0.724 9.273 316 HH12 ARG 37 HH12 ARG 37 -4.879 -0.260 10.610 317 HH21 ARG 37 HH21 ARG 37 -8.067 -0.903 9.194 318 HH22 ARG 37 HH22 ARG 37 -7.002 -1.426 10.438 319 H SER 38 HN SER 38 -10.975 3.003 6.217 320 HA SER 38 HA SER 38 -12.142 0.545 5.384 321 HB2 SER 38 HB2 SER 38 -12.799 1.932 7.378 322 HB3 SER 38 HB3 SER 38 -13.637 3.034 6.259 323 HG SER 38 HG SER 38 -14.817 1.141 7.331 324 H GLN 39 HN GLN 39 -12.226 3.844 3.970 325 HA GLN 39 HA GLN 39 -14.056 3.261 1.860 326 HB2 GLN 39 HB2 GLN 39 -11.662 5.151 1.742 327 HB3 GLN 39 HB3 GLN 39 -13.034 5.129 0.657 328 HG2 GLN 39 HG2 GLN 39 -14.518 5.847 2.501 329 HG3 GLN 39 HG3 GLN 39 -13.131 5.878 3.610 330 HE21 GLN 39 HE21 GLN 39 -11.138 7.239 2.669 331 HE22 GLN 39 HE22 GLN 39 -11.555 8.687 1.800 332 H ILE 40 HN ILE 40 -10.453 3.330 1.695 333 HA ILE 40 HA ILE 40 -10.361 2.369 -0.949 334 HB ILE 40 HB ILE 40 -8.225 2.176 1.220 335 HG12 ILE 40 HG12 ILE 40 -8.791 4.430 1.236 336 HG13 ILE 40 HG13 ILE 40 -7.407 4.371 0.179 337 HG21 ILE 40 HG21 ILE 40 -6.571 2.431 -0.623 338 HG22 ILE 40 HG22 ILE 40 -7.476 0.915 -0.717 339 HG23 ILE 40 HG23 ILE 40 -7.891 2.246 -1.804 340 HD11 ILE 40 HD11 ILE 40 -10.336 4.677 -0.557 341 HD12 ILE 40 HD12 ILE 40 -9.001 5.799 -0.897 342 HD13 ILE 40 HD13 ILE 40 -9.120 4.254 -1.768 343 H ALA 41 HN ALA 41 -10.911 0.653 1.838 344 HA ALA 41 HA ALA 41 -10.048 -2.004 0.800 345 HB1 ALA 41 HB1 ALA 41 -9.706 -1.550 3.184 346 HB2 ALA 41 HB2 ALA 41 -11.438 -1.256 3.410 347 HB3 ALA 41 HB3 ALA 41 -10.865 -2.879 2.954 348 H HIS 42 HN HIS 42 -13.118 -0.287 1.701 349 HA HIS 42 HA HIS 42 -14.819 -2.421 0.800 350 HB2 HIS 42 HB2 HIS 42 -15.637 -0.679 2.307 351 HB3 HIS 42 HB3 HIS 42 -15.248 0.571 1.122 352 HD1 HIS 42 HD1 HIS 42 -17.782 -2.285 1.678 353 HD2 HIS 42 HD2 HIS 42 -16.989 0.960 -0.884 354 HE1 HIS 42 HE1 HIS 42 -19.875 -1.960 0.243 355 H ALA 43 HN ALA 43 -13.386 0.454 -0.659 356 HA ALA 43 HA ALA 43 -14.775 0.558 -3.075 357 HB1 ALA 43 HB1 ALA 43 -13.369 2.398 -2.173 358 HB2 ALA 43 HB2 ALA 43 -11.908 1.413 -2.436 359 HB3 ALA 43 HB3 ALA 43 -12.854 1.981 -3.812 360 H LEU 44 HN LEU 44 -12.330 -1.663 -2.134 361 HA LEU 44 HA LEU 44 -11.907 -2.605 -4.925 362 HB2 LEU 44 HB2 LEU 44 -9.935 -2.402 -2.611 363 HB3 LEU 44 HB3 LEU 44 -9.592 -3.189 -4.158 364 HG LEU 44 HG LEU 44 -10.233 -0.225 -3.818 365 HD11 LEU 44 HD11 LEU 44 -8.060 -0.857 -2.876 366 HD12 LEU 44 HD12 LEU 44 -7.878 0.110 -4.341 367 HD13 LEU 44 HD13 LEU 44 -7.603 -1.645 -4.404 368 HD21 LEU 44 HD21 LEU 44 -9.394 -0.142 -6.209 369 HD22 LEU 44 HD22 LEU 44 -10.969 -0.904 -6.003 370 HD23 LEU 44 HD23 LEU 44 -9.532 -1.909 -6.262 371 H LYS 45 HN LYS 45 -13.718 -3.368 -2.494 372 HA LYS 45 HA LYS 45 -14.654 -5.229 -1.723 373 HB2 LYS 45 HB2 LYS 45 -13.755 -5.881 -4.343 374 HB3 LYS 45 HB3 LYS 45 -13.399 -7.296 -3.365 375 HG2 LYS 45 HG2 LYS 45 -16.061 -5.826 -3.421 376 HG3 LYS 45 HG3 LYS 45 -15.660 -7.201 -4.467 377 HD2 LYS 45 HD2 LYS 45 -15.240 -8.578 -2.424 378 HD3 LYS 45 HD3 LYS 45 -15.865 -7.243 -1.428 379 HE2 LYS 45 HE2 LYS 45 -18.008 -7.313 -2.547 380 HE3 LYS 45 HE3 LYS 45 -17.429 -8.480 -3.734 381 HZ1 LYS 45 HZ1 LYS 45 -17.489 -9.107 -0.862 382 HZ2 LYS 45 HZ2 LYS 45 -17.371 -10.150 -2.122 383 HZ3 LYS 45 HZ3 LYS 45 -18.788 -9.353 -1.855 384 H LEU 46 HN LEU 46 -11.793 -4.548 -0.878 385 HA LEU 46 HA LEU 46 -10.718 -7.156 0.068 386 HB2 LEU 46 HB2 LEU 46 -9.634 -4.334 -0.177 387 HB3 LEU 46 HB3 LEU 46 -8.756 -5.564 0.724 388 HG LEU 46 HG LEU 46 -9.625 -6.083 -2.150 389 HD11 LEU 46 HD11 LEU 46 -7.226 -5.445 -2.735 390 HD12 LEU 46 HD12 LEU 46 -7.152 -4.662 -1.138 391 HD13 LEU 46 HD13 LEU 46 -8.308 -4.095 -2.348 392 HD21 LEU 46 HD21 LEU 46 -8.893 -8.033 -0.805 393 HD22 LEU 46 HD22 LEU 46 -7.355 -7.194 -0.473 394 HD23 LEU 46 HD23 LEU 46 -7.775 -7.673 -2.123 395 H SER 47 HN SER 47 -9.708 -7.149 2.306 396 HA SER 47 HA SER 47 -11.436 -5.762 4.302 397 HB2 SER 47 HB2 SER 47 -9.348 -7.941 4.537 398 HB3 SER 47 HB3 SER 47 -9.954 -7.019 5.917 399 HG SER 47 HG SER 47 -11.139 -8.955 5.537 400 H GLU 48 HN GLU 48 -10.509 -4.179 5.721 401 HA GLU 48 HA GLU 48 -8.523 -2.453 4.754 402 HB2 GLU 48 HB2 GLU 48 -9.294 -3.075 7.632 403 HB3 GLU 48 HB3 GLU 48 -8.267 -1.732 7.123 404 HG2 GLU 48 HG2 GLU 48 -10.104 -0.695 5.919 405 HG3 GLU 48 HG3 GLU 48 -11.166 -2.074 6.277 406 H VAL 49 HN VAL 49 -8.174 -5.258 6.926 407 HA VAL 49 HA VAL 49 -5.447 -4.848 7.530 408 HB VAL 49 HB VAL 49 -7.188 -7.353 7.451 409 HG11 VAL 49 HG11 VAL 49 -4.421 -7.037 8.677 410 HG12 VAL 49 HG12 VAL 49 -5.522 -8.413 8.958 411 HG13 VAL 49 HG13 VAL 49 -4.902 -8.096 7.336 412 HG21 VAL 49 HG21 VAL 49 -7.906 -5.591 9.073 413 HG22 VAL 49 HG22 VAL 49 -7.340 -7.045 9.881 414 HG23 VAL 49 HG23 VAL 49 -6.286 -5.608 9.800 415 H GLN 50 HN GLN 50 -6.912 -6.326 4.646 416 HA GLN 50 HA GLN 50 -4.420 -7.363 3.603 417 HB2 GLN 50 HB2 GLN 50 -6.921 -6.423 2.104 418 HB3 GLN 50 HB3 GLN 50 -5.619 -7.373 1.477 419 HG2 GLN 50 HG2 GLN 50 -6.647 -8.781 3.781 420 HG3 GLN 50 HG3 GLN 50 -8.007 -8.257 2.774 421 HE21 GLN 50 HE21 GLN 50 -6.296 -11.006 3.249 422 HE22 GLN 50 HE22 GLN 50 -6.348 -11.543 1.562 423 H VAL 51 HN VAL 51 -6.273 -4.306 3.170 424 HA VAL 51 HA VAL 51 -4.506 -3.135 1.292 425 HB VAL 51 HB VAL 51 -6.430 -1.795 3.246 426 HG11 VAL 51 HG11 VAL 51 -5.254 -0.788 0.616 427 HG12 VAL 51 HG12 VAL 51 -6.518 0.024 1.567 428 HG13 VAL 51 HG13 VAL 51 -4.896 -0.154 2.238 429 HG21 VAL 51 HG21 VAL 51 -6.830 -2.838 0.402 430 HG22 VAL 51 HG22 VAL 51 -7.647 -3.421 1.872 431 HG23 VAL 51 HG23 VAL 51 -7.963 -1.798 1.263 432 H LYS 52 HN LYS 52 -4.600 -2.804 4.880 433 HA LYS 52 HA LYS 52 -2.547 -0.942 5.126 434 HB2 LYS 52 HB2 LYS 52 -2.648 -1.230 7.364 435 HB3 LYS 52 HB3 LYS 52 -4.200 -1.840 6.810 436 HG2 LYS 52 HG2 LYS 52 -3.204 -4.104 6.837 437 HG3 LYS 52 HG3 LYS 52 -1.778 -3.495 7.654 438 HD2 LYS 52 HD2 LYS 52 -4.498 -2.874 8.842 439 HD3 LYS 52 HD3 LYS 52 -3.861 -4.516 8.924 440 HE2 LYS 52 HE2 LYS 52 -1.848 -3.808 10.032 441 HE3 LYS 52 HE3 LYS 52 -2.319 -2.102 9.905 442 HZ1 LYS 52 HZ1 LYS 52 -4.165 -2.540 11.395 443 HZ2 LYS 52 HZ2 LYS 52 -2.779 -2.970 12.086 444 HZ3 LYS 52 HZ3 LYS 52 -3.777 -4.148 11.502 445 H ILE 53 HN ILE 53 -2.296 -4.300 4.396 446 HA ILE 53 HA ILE 53 0.602 -4.424 4.865 447 HB ILE 53 HB ILE 53 -1.324 -6.457 3.661 448 HG12 ILE 53 HG12 ILE 53 0.024 -6.575 6.392 449 HG13 ILE 53 HG13 ILE 53 -1.542 -5.830 6.179 450 HG21 ILE 53 HG21 ILE 53 0.915 -6.938 2.815 451 HG22 ILE 53 HG22 ILE 53 1.611 -6.749 4.438 452 HG23 ILE 53 HG23 ILE 53 0.537 -8.108 4.070 453 HD11 ILE 53 HD11 ILE 53 -0.862 -8.743 5.717 454 HD12 ILE 53 HD12 ILE 53 -2.001 -8.026 6.877 455 HD13 ILE 53 HD13 ILE 53 -2.374 -8.000 5.150 456 H TRP 54 HN TRP 54 -1.568 -3.992 2.006 457 HA TRP 54 HA TRP 54 0.607 -4.293 0.133 458 HB2 TRP 54 HB2 TRP 54 -1.884 -4.294 -0.411 459 HB3 TRP 54 HB3 TRP 54 -1.833 -2.543 -0.294 460 HD1 TRP 54 HD1 TRP 54 -1.170 -5.394 -2.550 461 HE1 TRP 54 HE1 TRP 54 -0.299 -4.619 -4.826 462 HE3 TRP 54 HE3 TRP 54 -0.262 -0.430 -1.498 463 HZ2 TRP 54 HZ2 TRP 54 0.565 -2.170 -6.072 464 HZ3 TRP 54 HZ3 TRP 54 0.513 1.100 -3.333 465 HH2 TRP 54 HH2 TRP 54 1.006 0.190 -5.551 466 H PHE 55 HN PHE 55 -0.907 -1.412 1.628 467 HA PHE 55 HA PHE 55 0.637 0.585 0.451 468 HB2 PHE 55 HB2 PHE 55 -0.790 0.335 3.095 469 HB3 PHE 55 HB3 PHE 55 0.294 1.689 2.859 470 HD1 PHE 55 HD2 PHE 55 -2.630 0.018 1.081 471 HD2 PHE 55 HD1 PHE 55 -0.462 3.662 1.904 472 HE1 PHE 55 HE2 PHE 55 -4.448 1.388 0.040 473 HE2 PHE 55 HE1 PHE 55 -2.289 4.969 0.832 474 HZ PHE 55 HZ PHE 55 -4.268 3.806 -0.086 475 H GLN 56 HN GLN 56 1.424 -1.051 3.575 476 HA GLN 56 HA GLN 56 3.898 0.225 3.957 477 HB2 GLN 56 HB2 GLN 56 4.469 -1.530 5.454 478 HB3 GLN 56 HB3 GLN 56 2.737 -1.076 5.703 479 HG2 GLN 56 HG2 GLN 56 2.089 -2.995 4.426 480 HG3 GLN 56 HG3 GLN 56 3.789 -3.500 4.297 481 HE21 GLN 56 HE21 GLN 56 1.028 -3.115 6.506 482 HE22 GLN 56 HE22 GLN 56 1.685 -4.243 7.686 483 H ASN 57 HN ASN 57 3.198 -2.707 2.040 484 HA ASN 57 HA ASN 57 5.936 -3.510 1.724 485 HB2 ASN 57 HB2 ASN 57 3.271 -4.212 0.487 486 HB3 ASN 57 HB3 ASN 57 4.706 -4.565 -0.441 487 HD21 ASN 57 HD21 ASN 57 3.239 -5.145 2.844 488 HD22 ASN 57 HD22 ASN 57 4.181 -6.577 3.132 489 H GLU 58 HN GLU 58 3.777 -1.361 0.038 490 HA GLU 58 HA GLU 58 5.496 -1.015 -2.305 491 HB2 GLU 58 HB2 GLU 58 3.047 -0.826 -2.373 492 HB3 GLU 58 HB3 GLU 58 3.091 0.596 -1.334 493 HG2 GLU 58 HG2 GLU 58 2.844 1.317 -3.662 494 HG3 GLU 58 HG3 GLU 58 4.373 1.846 -2.987 495 H ARG 59 HN ARG 59 4.556 1.054 0.502 496 HA ARG 59 HA ARG 59 6.299 3.236 0.055 497 HB2 ARG 59 HB2 ARG 59 4.942 1.984 2.414 498 HB3 ARG 59 HB3 ARG 59 6.352 2.953 2.801 499 HG2 ARG 59 HG2 ARG 59 5.436 4.940 2.047 500 HG3 ARG 59 HG3 ARG 59 4.306 4.158 0.950 501 HD2 ARG 59 HD2 ARG 59 3.199 5.226 2.892 502 HD3 ARG 59 HD3 ARG 59 2.827 3.522 2.683 503 HE ARG 59 HE ARG 59 3.896 2.974 4.627 504 HH11 ARG 59 HH11 ARG 59 4.499 6.486 4.035 505 HH12 ARG 59 HH12 ARG 59 5.053 6.733 5.640 506 HH21 ARG 59 HH21 ARG 59 4.743 3.349 6.681 507 HH22 ARG 59 HH22 ARG 59 5.243 4.927 7.154 508 H ALA 60 HN ALA 60 6.998 0.079 1.471 509 HA ALA 60 HA ALA 60 9.713 0.821 2.220 510 HB1 ALA 60 HB1 ALA 60 8.445 -1.949 1.896 511 HB2 ALA 60 HB2 ALA 60 10.009 -1.599 2.675 512 HB3 ALA 60 HB3 ALA 60 8.511 -0.992 3.394 513 H LYS 61 HN LYS 61 8.328 -1.040 -0.609 514 HA LYS 61 HA LYS 61 11.015 -1.505 -1.724 515 HB2 LYS 61 HB2 LYS 61 10.010 -2.653 -3.379 516 HB3 LYS 61 HB3 LYS 61 8.654 -2.719 -2.254 517 HG2 LYS 61 HG2 LYS 61 7.636 -0.760 -3.469 518 HG3 LYS 61 HG3 LYS 61 8.998 -0.811 -4.606 519 HD2 LYS 61 HD2 LYS 61 8.339 -3.210 -5.148 520 HD3 LYS 61 HD3 LYS 61 6.862 -2.917 -4.188 521 HE2 LYS 61 HE2 LYS 61 6.551 -0.813 -5.640 522 HE3 LYS 61 HE3 LYS 61 7.831 -1.437 -6.677 523 HZ1 LYS 61 HZ1 LYS 61 5.631 -1.958 -7.464 524 HZ2 LYS 61 HZ2 LYS 61 5.272 -2.790 -6.101 525 HZ3 LYS 61 HZ3 LYS 61 6.425 -3.352 -7.153 526 H TRP 62 HN TRP 62 8.551 1.096 -2.195 527 HA TRP 62 HA TRP 62 10.095 2.362 -4.219 528 HB2 TRP 62 HB2 TRP 62 7.620 2.740 -3.235 529 HB3 TRP 62 HB3 TRP 62 8.443 3.986 -2.317 530 HD1 TRP 62 HD1 TRP 62 6.857 3.238 -5.561 531 HE1 TRP 62 HE1 TRP 62 7.079 5.181 -7.213 532 HE3 TRP 62 HE3 TRP 62 10.416 5.916 -3.097 533 HZ2 TRP 62 HZ2 TRP 62 8.852 7.466 -7.564 534 HZ3 TRP 62 HZ3 TRP 62 11.341 8.010 -4.096 535 HH2 TRP 62 HH2 TRP 62 10.585 8.771 -6.329 536 H LYS 63 HN LYS 63 10.122 2.634 -0.605 537 HA LYS 63 HA LYS 63 12.331 4.505 -0.583 538 HB2 LYS 63 HB2 LYS 63 11.088 2.675 1.497 539 HB3 LYS 63 HB3 LYS 63 12.538 3.591 1.835 540 HG2 LYS 63 HG2 LYS 63 10.753 5.496 0.690 541 HG3 LYS 63 HG3 LYS 63 9.770 4.514 1.761 542 HD2 LYS 63 HD2 LYS 63 10.624 6.346 3.049 543 HD3 LYS 63 HD3 LYS 63 11.470 4.869 3.576 544 HE2 LYS 63 HE2 LYS 63 13.401 5.480 2.110 545 HE3 LYS 63 HE3 LYS 63 12.522 6.896 1.511 546 HZ1 LYS 63 HZ1 LYS 63 14.224 7.292 3.234 547 HZ2 LYS 63 HZ2 LYS 63 13.280 6.583 4.356 548 HZ3 LYS 63 HZ3 LYS 63 12.763 7.945 3.594 549 H ARG 64 HN ARG 64 12.460 1.293 -1.740 550 HA ARG 64 HA ARG 64 15.265 0.981 -0.872 551 HB2 ARG 64 HB2 ARG 64 15.285 -1.066 -1.717 552 HB3 ARG 64 HB3 ARG 64 13.543 -0.922 -1.502 553 HG2 ARG 64 HG2 ARG 64 13.616 0.023 -3.965 554 HG3 ARG 64 HG3 ARG 64 15.207 -0.668 -3.967 555 HD2 ARG 64 HD2 ARG 64 14.267 -2.879 -3.379 556 HD3 ARG 64 HD3 ARG 64 12.633 -2.195 -3.562 557 HE ARG 64 HE ARG 64 13.836 -1.543 -5.958 558 HH11 ARG 64 HH11 ARG 64 13.726 -4.651 -4.231 559 HH12 ARG 64 HH12 ARG 64 13.815 -5.581 -5.693 560 HH21 ARG 64 HH21 ARG 64 13.890 -2.856 -7.885 561 HH22 ARG 64 HH22 ARG 64 13.820 -4.577 -7.720 562 H ILE 65 HN ILE 65 13.422 2.539 -3.251 563 HA ILE 65 HA ILE 65 15.623 2.931 -5.144 564 HB ILE 65 HB ILE 65 12.843 4.156 -5.426 565 HG12 ILE 65 HG12 ILE 65 13.606 1.303 -6.056 566 HG13 ILE 65 HG13 ILE 65 12.375 1.857 -4.929 567 HG21 ILE 65 HG21 ILE 65 14.729 4.837 -6.936 568 HG22 ILE 65 HG22 ILE 65 14.872 3.152 -7.466 569 HG23 ILE 65 HG23 ILE 65 13.393 4.080 -7.795 570 HD11 ILE 65 HD11 ILE 65 12.232 2.089 -7.933 571 HD12 ILE 65 HD12 ILE 65 11.244 1.088 -6.863 572 HD13 ILE 65 HD13 ILE 65 11.084 2.857 -6.803 573 H LYS 66 HN LYS 66 13.216 5.288 -3.970 574 HA LYS 66 HA LYS 66 13.410 7.534 -3.719 575 HB2 LYS 66 HB2 LYS 66 14.112 6.254 -1.498 576 HB3 LYS 66 HB3 LYS 66 15.611 7.127 -1.743 577 HG2 LYS 66 HG2 LYS 66 13.010 8.668 -1.925 578 HG3 LYS 66 HG3 LYS 66 13.454 8.039 -0.352 579 HD2 LYS 66 HD2 LYS 66 15.267 9.876 -1.963 580 HD3 LYS 66 HD3 LYS 66 14.120 10.412 -0.733 581 HE2 LYS 66 HE2 LYS 66 15.215 8.990 0.963 582 HE3 LYS 66 HE3 LYS 66 16.362 8.412 -0.244 583 HZ1 LYS 66 HZ1 LYS 66 16.182 11.204 0.759 584 HZ2 LYS 66 HZ2 LYS 66 17.161 10.693 -0.474 585 HZ3 LYS 66 HZ3 LYS 66 17.361 10.078 1.011 586 H ALA 67 HN ALA 67 14.851 6.667 -5.988 587 HA ALA 67 HA ALA 67 17.491 7.721 -6.056 588 HB1 ALA 67 HB1 ALA 67 16.696 5.916 -7.530 589 HB2 ALA 67 HB2 ALA 67 15.564 7.040 -8.327 590 HB3 ALA 67 HB3 ALA 67 17.316 7.273 -8.467 591 H GLY 68 HN GLY 68 14.509 9.425 -6.163 592 HA2 GLY 68 HA1 GLY 68 14.334 11.836 -6.686 593 HA3 GLY 68 HA2 GLY 68 15.514 11.571 -7.981 594 H ASN 69 HN ASN 69 14.864 9.400 -9.266 595 HA ASN 69 HA ASN 69 13.675 8.457 -10.789 596 HB2 ASN 69 HB2 ASN 69 12.182 7.710 -8.860 597 HB3 ASN 69 HB3 ASN 69 11.124 9.051 -9.339 598 HD21 ASN 69 HD21 ASN 69 12.839 7.136 -11.922 599 HD22 ASN 69 HD22 ASN 69 11.330 6.464 -12.481 600 H VAL 70 HN VAL 70 14.632 10.688 -11.181 601 HA VAL 70 HA VAL 70 12.822 12.392 -12.797 602 HB VAL 70 HB VAL 70 14.307 13.415 -11.076 603 HG11 VAL 70 HG11 VAL 70 16.626 12.571 -12.853 604 HG12 VAL 70 HG12 VAL 70 16.699 13.618 -11.432 605 HG13 VAL 70 HG13 VAL 70 16.262 11.925 -11.235 606 HG21 VAL 70 HG21 VAL 70 15.184 15.258 -12.421 607 HG22 VAL 70 HG22 VAL 70 14.927 14.332 -13.901 608 HG23 VAL 70 HG23 VAL 70 13.546 14.811 -12.907 609 H SER 71 HN SER 71 13.708 9.562 -13.311 610 HA SER 71 HA SER 71 15.075 9.587 -15.897 611 HB2 SER 71 HB2 SER 71 13.022 7.697 -14.666 612 HB3 SER 71 HB3 SER 71 13.845 7.467 -16.217 613 HG SER 71 HG SER 71 15.428 6.658 -15.189 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 14.613 -0.050 -18.289 2 HA2 GLY 1 HA1 GLY 1 15.422 1.987 -17.234 3 HA3 GLY 1 HA2 GLY 1 13.757 2.603 -17.288 4 H ALA 2 HN ALA 2 15.694 1.969 -15.010 5 HA ALA 2 HA ALA 2 15.654 1.108 -12.895 6 HB1 ALA 2 HB1 ALA 2 14.354 3.225 -13.219 7 HB2 ALA 2 HB2 ALA 2 12.868 2.272 -13.214 8 HB3 ALA 2 HB3 ALA 2 13.906 2.289 -11.773 9 HA PRO 3 HA PRO 3 12.974 -2.740 -13.648 10 HB2 PRO 3 HB2 PRO 3 14.892 -4.689 -13.355 11 HB3 PRO 3 HB3 PRO 3 14.586 -3.847 -14.899 12 HG2 PRO 3 HG2 PRO 3 16.699 -3.238 -12.812 13 HG3 PRO 3 HG3 PRO 3 16.904 -3.400 -14.575 14 HD2 PRO 3 HD2 PRO 3 16.644 -0.972 -13.372 15 HD3 PRO 3 HD3 PRO 3 15.942 -1.288 -14.990 16 H GLY 4 HN GLY 4 12.507 -4.514 -12.058 17 HA2 GLY 4 HA1 GLY 4 13.560 -4.229 -9.333 18 HA3 GLY 4 HA2 GLY 4 11.887 -3.716 -9.572 19 H GLY 5 HN GLY 5 10.260 -5.359 -9.917 20 HA2 GLY 5 HA1 GLY 5 9.352 -7.428 -10.243 21 HA3 GLY 5 HA2 GLY 5 10.953 -8.098 -10.560 22 H LYS 6 HN LYS 6 12.367 -7.834 -8.459 23 HA LYS 6 HA LYS 6 11.797 -9.893 -6.778 24 HB2 LYS 6 HB2 LYS 6 13.459 -7.440 -6.090 25 HB3 LYS 6 HB3 LYS 6 13.592 -9.021 -5.320 26 HG2 LYS 6 HG2 LYS 6 14.511 -10.018 -7.323 27 HG3 LYS 6 HG3 LYS 6 14.189 -8.561 -8.278 28 HD2 LYS 6 HD2 LYS 6 15.659 -7.244 -6.757 29 HD3 LYS 6 HD3 LYS 6 16.088 -8.732 -5.906 30 HE2 LYS 6 HE2 LYS 6 16.560 -8.277 -8.891 31 HE3 LYS 6 HE3 LYS 6 17.708 -7.830 -7.622 32 HZ1 LYS 6 HZ1 LYS 6 18.329 -9.921 -8.420 33 HZ2 LYS 6 HZ2 LYS 6 16.816 -10.548 -8.279 34 HZ3 LYS 6 HZ3 LYS 6 17.679 -10.185 -6.921 35 H SER 7 HN SER 7 10.117 -10.161 -5.354 36 HA SER 7 HA SER 7 10.257 -8.493 -2.966 37 HB2 SER 7 HB2 SER 7 7.770 -8.773 -4.680 38 HB3 SER 7 HB3 SER 7 7.605 -8.797 -2.924 39 HG SER 7 HG SER 7 8.325 -6.703 -4.618 40 H ARG 8 HN ARG 8 9.958 -9.749 -1.165 41 HA ARG 8 HA ARG 8 8.404 -12.224 -1.179 42 HB2 ARG 8 HB2 ARG 8 11.411 -12.157 -0.782 43 HB3 ARG 8 HB3 ARG 8 10.457 -13.212 0.246 44 HG2 ARG 8 HG2 ARG 8 10.171 -14.758 -1.328 45 HG3 ARG 8 HG3 ARG 8 9.632 -13.603 -2.511 46 HD2 ARG 8 HD2 ARG 8 11.596 -14.817 -3.307 47 HD3 ARG 8 HD3 ARG 8 11.873 -13.079 -3.206 48 HE ARG 8 HE ARG 8 13.653 -13.510 -1.940 49 HH11 ARG 8 HH11 ARG 8 11.625 -16.427 -1.569 50 HH12 ARG 8 HH12 ARG 8 12.403 -16.906 -0.086 51 HH21 ARG 8 HH21 ARG 8 14.995 -14.543 -0.417 52 HH22 ARG 8 HH22 ARG 8 14.553 -16.067 0.299 53 H ARG 9 HN ARG 9 7.047 -11.812 0.588 54 HA ARG 9 HA ARG 9 8.089 -11.370 3.162 55 HB2 ARG 9 HB2 ARG 9 7.200 -8.921 1.703 56 HB3 ARG 9 HB3 ARG 9 6.280 -9.199 3.179 57 HG2 ARG 9 HG2 ARG 9 8.414 -9.427 4.465 58 HG3 ARG 9 HG3 ARG 9 9.311 -9.022 3.000 59 HD2 ARG 9 HD2 ARG 9 7.906 -6.885 2.890 60 HD3 ARG 9 HD3 ARG 9 7.364 -7.281 4.525 61 HE ARG 9 HE ARG 9 9.706 -7.280 5.253 62 HH11 ARG 9 HH11 ARG 9 9.047 -5.570 2.255 63 HH12 ARG 9 HH12 ARG 9 10.596 -4.789 2.158 64 HH21 ARG 9 HH21 ARG 9 11.691 -6.296 5.220 65 HH22 ARG 9 HH22 ARG 9 12.100 -5.074 4.087 66 H ARG 10 HN ARG 10 6.224 -11.445 4.782 67 HA ARG 10 HA ARG 10 3.961 -13.000 3.687 68 HB2 ARG 10 HB2 ARG 10 4.787 -12.193 6.505 69 HB3 ARG 10 HB3 ARG 10 3.211 -12.882 6.124 70 HG2 ARG 10 HG2 ARG 10 4.457 -14.839 4.996 71 HG3 ARG 10 HG3 ARG 10 5.931 -14.175 5.725 72 HD2 ARG 10 HD2 ARG 10 5.083 -15.864 7.218 73 HD3 ARG 10 HD3 ARG 10 4.777 -14.275 7.959 74 HE ARG 10 HE ARG 10 2.521 -15.122 6.392 75 HH11 ARG 10 HH11 ARG 10 4.082 -15.520 9.564 76 HH12 ARG 10 HH12 ARG 10 2.676 -16.166 10.319 77 HH21 ARG 10 HH21 ARG 10 0.612 -15.911 7.429 78 HH22 ARG 10 HH22 ARG 10 0.614 -16.278 9.097 79 H ARG 11 HN ARG 11 2.352 -11.909 2.733 80 HA ARG 11 HA ARG 11 1.388 -9.375 3.983 81 HB2 ARG 11 HB2 ARG 11 1.451 -10.191 1.049 82 HB3 ARG 11 HB3 ARG 11 0.730 -8.718 1.657 83 HG2 ARG 11 HG2 ARG 11 2.731 -7.650 2.021 84 HG3 ARG 11 HG3 ARG 11 3.634 -9.113 2.374 85 HD2 ARG 11 HD2 ARG 11 2.715 -8.282 -0.390 86 HD3 ARG 11 HD3 ARG 11 4.349 -8.102 0.282 87 HE ARG 11 HE ARG 11 3.543 -10.835 0.474 88 HH11 ARG 11 HH11 ARG 11 4.592 -8.488 -2.013 89 HH12 ARG 11 HH12 ARG 11 5.084 -9.750 -3.111 90 HH21 ARG 11 HH21 ARG 11 4.251 -12.395 -0.953 91 HH22 ARG 11 HH22 ARG 11 4.990 -12.014 -2.463 92 H THR 12 HN THR 12 -0.959 -9.072 3.606 93 HA THR 12 HA THR 12 -2.469 -11.489 4.114 94 HB THR 12 HB THR 12 -3.328 -8.685 3.522 95 HG1 THR 12 HG1 THR 12 -2.072 -8.701 5.380 96 HG21 THR 12 HG21 THR 12 -5.398 -9.176 4.764 97 HG22 THR 12 HG22 THR 12 -4.906 -10.874 4.943 98 HG23 THR 12 HG23 THR 12 -5.255 -10.194 3.333 99 H ALA 13 HN ALA 13 -4.045 -12.440 2.740 100 HA ALA 13 HA ALA 13 -3.391 -12.664 -0.024 101 HB1 ALA 13 HB1 ALA 13 -5.497 -13.993 -0.104 102 HB2 ALA 13 HB2 ALA 13 -4.422 -14.487 1.216 103 HB3 ALA 13 HB3 ALA 13 -5.850 -13.494 1.556 104 H PHE 14 HN PHE 14 -3.417 -10.787 -1.058 105 HA PHE 14 HA PHE 14 -6.054 -9.512 -1.674 106 HB2 PHE 14 HB2 PHE 14 -3.200 -8.418 -1.775 107 HB3 PHE 14 HB3 PHE 14 -4.471 -7.776 -2.771 108 HD1 PHE 14 HD1 PHE 14 -4.606 -8.657 0.935 109 HD2 PHE 14 HD2 PHE 14 -4.853 -5.603 -2.095 110 HE1 PHE 14 HE1 PHE 14 -4.986 -6.979 2.678 111 HE2 PHE 14 HE2 PHE 14 -5.375 -3.951 -0.336 112 HZ PHE 14 HZ PHE 14 -5.333 -4.594 2.049 113 H THR 15 HN THR 15 -6.686 -9.893 -3.831 114 HA THR 15 HA THR 15 -4.956 -11.514 -5.545 115 HB THR 15 HB THR 15 -6.820 -11.292 -7.116 116 HG1 THR 15 HG1 THR 15 -8.308 -10.199 -7.008 117 HG21 THR 15 HG21 THR 15 -8.405 -12.719 -5.944 118 HG22 THR 15 HG22 THR 15 -7.790 -12.166 -4.372 119 HG23 THR 15 HG23 THR 15 -6.761 -13.151 -5.442 120 H SER 16 HN SER 16 -4.848 -10.635 -8.032 121 HA SER 16 HA SER 16 -3.118 -8.360 -7.897 122 HB2 SER 16 HB2 SER 16 -4.446 -9.664 -10.290 123 HB3 SER 16 HB3 SER 16 -3.124 -8.482 -10.326 124 HG SER 16 HG SER 16 -1.813 -9.936 -9.232 125 H GLU 17 HN GLU 17 -6.608 -8.760 -8.693 126 HA GLU 17 HA GLU 17 -7.088 -6.215 -9.776 127 HB2 GLU 17 HB2 GLU 17 -8.838 -7.723 -7.792 128 HB3 GLU 17 HB3 GLU 17 -9.359 -6.502 -8.974 129 HG2 GLU 17 HG2 GLU 17 -9.976 -8.203 -10.267 130 HG3 GLU 17 HG3 GLU 17 -8.251 -8.481 -10.570 131 H GLN 18 HN GLN 18 -6.763 -7.288 -6.427 132 HA GLN 18 HA GLN 18 -7.690 -4.796 -5.271 133 HB2 GLN 18 HB2 GLN 18 -6.346 -7.153 -3.900 134 HB3 GLN 18 HB3 GLN 18 -7.346 -5.903 -3.140 135 HG2 GLN 18 HG2 GLN 18 -9.305 -6.728 -4.545 136 HG3 GLN 18 HG3 GLN 18 -8.239 -8.000 -5.148 137 HE21 GLN 18 HE21 GLN 18 -10.447 -7.215 -2.503 138 HE22 GLN 18 HE22 GLN 18 -10.000 -8.582 -1.540 139 H LEU 19 HN LEU 19 -4.641 -6.324 -6.069 140 HA LEU 19 HA LEU 19 -2.975 -4.331 -4.715 141 HB2 LEU 19 HB2 LEU 19 -2.498 -6.509 -6.789 142 HB3 LEU 19 HB3 LEU 19 -1.220 -5.473 -6.190 143 HG LEU 19 HG LEU 19 -2.925 -7.312 -4.438 144 HD11 LEU 19 HD11 LEU 19 -1.564 -8.593 -6.014 145 HD12 LEU 19 HD12 LEU 19 -0.936 -8.756 -4.371 146 HD13 LEU 19 HD13 LEU 19 -0.114 -7.682 -5.533 147 HD21 LEU 19 HD21 LEU 19 -0.404 -5.725 -3.820 148 HD22 LEU 19 HD22 LEU 19 -1.147 -6.956 -2.749 149 HD23 LEU 19 HD23 LEU 19 -2.024 -5.473 -3.123 150 H LEU 20 HN LEU 20 -4.839 -4.229 -7.548 151 HA LEU 20 HA LEU 20 -2.974 -2.819 -9.270 152 HB2 LEU 20 HB2 LEU 20 -5.258 -4.222 -9.744 153 HB3 LEU 20 HB3 LEU 20 -5.977 -2.641 -9.613 154 HG LEU 20 HG LEU 20 -5.589 -3.101 -11.898 155 HD11 LEU 20 HD11 LEU 20 -4.165 -1.332 -12.691 156 HD12 LEU 20 HD12 LEU 20 -3.308 -1.238 -11.142 157 HD13 LEU 20 HD13 LEU 20 -5.025 -0.773 -11.249 158 HD21 LEU 20 HD21 LEU 20 -2.678 -3.745 -11.274 159 HD22 LEU 20 HD22 LEU 20 -3.456 -3.779 -12.862 160 HD23 LEU 20 HD23 LEU 20 -3.977 -4.920 -11.614 161 H GLU 21 HN GLU 21 -5.897 -1.944 -7.529 162 HA GLU 21 HA GLU 21 -5.948 0.800 -8.013 163 HB2 GLU 21 HB2 GLU 21 -7.020 -0.831 -5.674 164 HB3 GLU 21 HB3 GLU 21 -7.562 0.796 -6.086 165 HG2 GLU 21 HG2 GLU 21 -7.830 -1.617 -7.931 166 HG3 GLU 21 HG3 GLU 21 -9.099 -0.982 -6.884 167 H LEU 22 HN LEU 22 -4.658 -1.007 -5.311 168 HA LEU 22 HA LEU 22 -3.748 1.044 -3.594 169 HB2 LEU 22 HB2 LEU 22 -3.042 -1.836 -4.201 170 HB3 LEU 22 HB3 LEU 22 -1.876 -0.932 -3.264 171 HG LEU 22 HG LEU 22 -3.289 -0.601 -1.453 172 HD11 LEU 22 HD11 LEU 22 -5.609 -1.523 -3.190 173 HD12 LEU 22 HD12 LEU 22 -5.397 0.092 -2.516 174 HD13 LEU 22 HD13 LEU 22 -5.722 -1.277 -1.434 175 HD21 LEU 22 HD21 LEU 22 -3.625 -2.792 -0.761 176 HD22 LEU 22 HD22 LEU 22 -2.479 -3.009 -2.081 177 HD23 LEU 22 HD23 LEU 22 -4.178 -3.339 -2.371 178 H ARG 23 HN ARG 23 -2.178 -0.170 -6.584 179 HA ARG 23 HA ARG 23 0.428 0.865 -5.725 180 HB2 ARG 23 HB2 ARG 23 -0.704 -0.446 -8.237 181 HB3 ARG 23 HB3 ARG 23 0.828 0.425 -8.273 182 HG2 ARG 23 HG2 ARG 23 1.801 -1.098 -6.614 183 HG3 ARG 23 HG3 ARG 23 0.266 -1.956 -6.447 184 HD2 ARG 23 HD2 ARG 23 1.912 -3.121 -7.960 185 HD3 ARG 23 HD3 ARG 23 0.379 -2.739 -8.757 186 HE ARG 23 HE ARG 23 1.446 -0.737 -9.704 187 HH11 ARG 23 HH11 ARG 23 3.421 -3.637 -9.457 188 HH12 ARG 23 HH12 ARG 23 4.865 -2.820 -10.035 189 HH21 ARG 23 HH21 ARG 23 3.375 0.331 -10.290 190 HH22 ARG 23 HH22 ARG 23 4.819 -0.603 -10.543 191 H LYS 24 HN LYS 24 -2.362 1.744 -7.824 192 HA LYS 24 HA LYS 24 -0.876 3.987 -8.847 193 HB2 LYS 24 HB2 LYS 24 -2.953 4.824 -9.857 194 HB3 LYS 24 HB3 LYS 24 -2.608 3.150 -10.283 195 HG2 LYS 24 HG2 LYS 24 -4.276 2.326 -8.774 196 HG3 LYS 24 HG3 LYS 24 -4.546 3.944 -8.088 197 HD2 LYS 24 HD2 LYS 24 -5.383 4.656 -10.377 198 HD3 LYS 24 HD3 LYS 24 -5.233 2.964 -10.870 199 HE2 LYS 24 HE2 LYS 24 -7.521 3.305 -10.213 200 HE3 LYS 24 HE3 LYS 24 -6.757 2.316 -8.972 201 HZ1 LYS 24 HZ1 LYS 24 -7.384 5.201 -8.831 202 HZ2 LYS 24 HZ2 LYS 24 -6.522 4.434 -7.632 203 HZ3 LYS 24 HZ3 LYS 24 -8.058 3.992 -7.948 204 H GLU 25 HN GLU 25 -3.119 3.442 -6.172 205 HA GLU 25 HA GLU 25 -3.570 6.128 -5.519 206 HB2 GLU 25 HB2 GLU 25 -4.476 3.644 -4.634 207 HB3 GLU 25 HB3 GLU 25 -3.551 4.193 -3.257 208 HG2 GLU 25 HG2 GLU 25 -5.906 4.876 -3.079 209 HG3 GLU 25 HG3 GLU 25 -4.848 6.272 -3.189 210 H PHE 26 HN PHE 26 -0.894 4.015 -4.664 211 HA PHE 26 HA PHE 26 0.177 5.287 -2.458 212 HB2 PHE 26 HB2 PHE 26 0.901 3.133 -3.624 213 HB3 PHE 26 HB3 PHE 26 1.804 4.132 -4.756 214 HD1 PHE 26 HD2 PHE 26 1.435 3.279 -1.120 215 HD2 PHE 26 HD1 PHE 26 4.023 4.871 -4.186 216 HE1 PHE 26 HE2 PHE 26 3.351 3.215 0.449 217 HE2 PHE 26 HE1 PHE 26 5.941 4.776 -2.618 218 HZ PHE 26 HZ PHE 26 5.623 3.948 -0.316 219 H HIS 27 HN HIS 27 0.155 6.484 -5.745 220 HA HIS 27 HA HIS 27 1.869 8.785 -4.934 221 HB2 HIS 27 HB2 HIS 27 2.693 7.111 -6.726 222 HB3 HIS 27 HB3 HIS 27 1.541 7.917 -7.799 223 HD1 HIS 27 HD1 HIS 27 1.934 10.819 -7.460 224 HD2 HIS 27 HD2 HIS 27 5.052 8.104 -6.719 225 HE1 HIS 27 HE1 HIS 27 4.107 12.203 -7.425 226 H CYS 28 HN CYS 28 -1.078 8.414 -4.540 227 HA CYS 28 HA CYS 28 -1.983 10.819 -6.091 228 HB2 CYS 28 HB2 CYS 28 -3.625 8.504 -4.966 229 HB3 CYS 28 HB3 CYS 28 -4.279 9.981 -5.699 230 HG CYS 28 HG CYS 28 -2.216 7.752 -7.056 231 H LYS 29 HN LYS 29 -3.294 9.310 -3.146 232 HA LYS 29 HA LYS 29 -3.146 11.924 -1.750 233 HB2 LYS 29 HB2 LYS 29 -4.313 10.615 0.083 234 HB3 LYS 29 HB3 LYS 29 -5.211 11.036 -1.332 235 HG2 LYS 29 HG2 LYS 29 -4.116 8.370 -1.770 236 HG3 LYS 29 HG3 LYS 29 -4.782 8.443 -0.156 237 HD2 LYS 29 HD2 LYS 29 -6.429 7.680 -1.872 238 HD3 LYS 29 HD3 LYS 29 -6.957 9.132 -1.007 239 HE2 LYS 29 HE2 LYS 29 -6.338 10.562 -2.896 240 HE3 LYS 29 HE3 LYS 29 -5.609 9.182 -3.736 241 HZ1 LYS 29 HZ1 LYS 29 -7.648 8.258 -4.109 242 HZ2 LYS 29 HZ2 LYS 29 -7.759 9.828 -4.522 243 HZ3 LYS 29 HZ3 LYS 29 -8.489 9.352 -3.122 244 H LYS 30 HN LYS 30 -1.731 12.336 -0.136 245 HA LYS 30 HA LYS 30 0.609 10.689 0.177 246 HB2 LYS 30 HB2 LYS 30 1.060 12.208 2.161 247 HB3 LYS 30 HB3 LYS 30 0.981 12.957 0.558 248 HG2 LYS 30 HG2 LYS 30 -1.205 13.891 1.016 249 HG3 LYS 30 HG3 LYS 30 -1.396 12.853 2.434 250 HD2 LYS 30 HD2 LYS 30 -0.843 15.114 3.182 251 HD3 LYS 30 HD3 LYS 30 0.548 14.075 3.510 252 HE2 LYS 30 HE2 LYS 30 0.882 15.130 0.855 253 HE3 LYS 30 HE3 LYS 30 0.310 16.462 1.857 254 HZ1 LYS 30 HZ1 LYS 30 2.177 15.854 3.411 255 HZ2 LYS 30 HZ2 LYS 30 2.633 16.480 1.963 256 HZ3 LYS 30 HZ3 LYS 30 2.753 14.857 2.245 257 H TYR 31 HN TYR 31 -2.483 10.838 2.005 258 HA TYR 31 HA TYR 31 -1.842 8.224 2.989 259 HB2 TYR 31 HB2 TYR 31 -2.550 8.705 5.318 260 HB3 TYR 31 HB3 TYR 31 -1.041 9.498 4.900 261 HD1 TYR 31 HD2 TYR 31 -0.957 11.934 4.504 262 HD2 TYR 31 HD1 TYR 31 -4.554 10.033 5.907 263 HE1 TYR 31 HE2 TYR 31 -1.886 14.141 5.053 264 HE2 TYR 31 HE1 TYR 31 -5.501 12.233 6.486 265 HH TYR 31 HH TYR 31 -5.260 14.589 6.099 266 H LEU 32 HN LEU 32 -3.872 7.136 3.627 267 HA LEU 32 HA LEU 32 -6.286 8.212 2.306 268 HB2 LEU 32 HB2 LEU 32 -5.894 5.759 4.089 269 HB3 LEU 32 HB3 LEU 32 -7.382 6.186 3.256 270 HG LEU 32 HG LEU 32 -4.763 5.455 1.895 271 HD11 LEU 32 HD11 LEU 32 -7.305 3.790 1.933 272 HD12 LEU 32 HD12 LEU 32 -6.047 3.584 3.150 273 HD13 LEU 32 HD13 LEU 32 -5.683 3.337 1.426 274 HD21 LEU 32 HD21 LEU 32 -6.053 5.294 -0.171 275 HD22 LEU 32 HD22 LEU 32 -6.272 6.917 0.496 276 HD23 LEU 32 HD23 LEU 32 -7.552 5.696 0.685 277 H SER 33 HN SER 33 -7.399 9.825 3.402 278 HA SER 33 HA SER 33 -7.536 9.904 6.325 279 HB2 SER 33 HB2 SER 33 -9.274 11.288 4.256 280 HB3 SER 33 HB3 SER 33 -9.238 11.613 5.992 281 HG SER 33 HG SER 33 -7.375 12.198 3.989 282 H LEU 34 HN LEU 34 -10.338 9.985 6.868 283 HA LEU 34 HA LEU 34 -10.854 7.170 7.066 284 HB2 LEU 34 HB2 LEU 34 -12.463 9.628 7.748 285 HB3 LEU 34 HB3 LEU 34 -13.145 8.018 7.741 286 HG LEU 34 HG LEU 34 -10.978 7.388 9.193 287 HD11 LEU 34 HD11 LEU 34 -11.448 10.321 9.778 288 HD12 LEU 34 HD12 LEU 34 -9.960 9.623 9.134 289 HD13 LEU 34 HD13 LEU 34 -10.468 9.234 10.786 290 HD21 LEU 34 HD21 LEU 34 -13.191 6.959 9.869 291 HD22 LEU 34 HD22 LEU 34 -13.548 8.680 10.142 292 HD23 LEU 34 HD23 LEU 34 -12.425 7.838 11.216 293 H THR 35 HN THR 35 -12.378 9.737 4.987 294 HA THR 35 HA THR 35 -14.325 7.993 3.889 295 HB THR 35 HB THR 35 -13.009 10.470 2.688 296 HG1 THR 35 HG1 THR 35 -14.955 11.457 3.547 297 HG21 THR 35 HG21 THR 35 -15.061 10.720 1.359 298 HG22 THR 35 HG22 THR 35 -15.700 9.196 2.029 299 HG23 THR 35 HG23 THR 35 -14.260 9.205 0.998 300 H GLU 36 HN GLU 36 -11.179 9.028 2.641 301 HA GLU 36 HA GLU 36 -10.924 7.542 0.357 302 HB2 GLU 36 HB2 GLU 36 -8.777 8.103 2.431 303 HB3 GLU 36 HB3 GLU 36 -8.503 7.716 0.745 304 HG2 GLU 36 HG2 GLU 36 -8.309 10.160 1.671 305 HG3 GLU 36 HG3 GLU 36 -8.820 9.811 0.019 306 H ARG 37 HN ARG 37 -10.041 6.504 3.704 307 HA ARG 37 HA ARG 37 -9.164 3.917 2.920 308 HB2 ARG 37 HB2 ARG 37 -8.649 5.218 5.056 309 HB3 ARG 37 HB3 ARG 37 -10.258 4.742 5.640 310 HG2 ARG 37 HG2 ARG 37 -9.557 2.348 5.363 311 HG3 ARG 37 HG3 ARG 37 -8.000 2.901 4.749 312 HD2 ARG 37 HD2 ARG 37 -7.839 2.247 7.118 313 HD3 ARG 37 HD3 ARG 37 -7.435 3.947 6.867 314 HE ARG 37 HE ARG 37 -10.223 3.234 7.702 315 HH11 ARG 37 HH11 ARG 37 -7.296 5.040 8.590 316 HH12 ARG 37 HH12 ARG 37 -7.696 5.054 10.290 317 HH21 ARG 37 HH21 ARG 37 -10.958 3.778 9.620 318 HH22 ARG 37 HH22 ARG 37 -10.055 4.673 10.810 319 H SER 38 HN SER 38 -12.391 5.114 3.911 320 HA SER 38 HA SER 38 -13.646 2.535 3.884 321 HB2 SER 38 HB2 SER 38 -14.701 4.484 4.915 322 HB3 SER 38 HB3 SER 38 -14.784 5.313 3.355 323 HG SER 38 HG SER 38 -16.763 4.310 3.887 324 H GLN 39 HN GLN 39 -13.089 5.007 1.282 325 HA GLN 39 HA GLN 39 -14.533 3.672 -0.750 326 HB2 GLN 39 HB2 GLN 39 -12.127 5.551 -0.908 327 HB3 GLN 39 HB3 GLN 39 -13.014 4.967 -2.308 328 HG2 GLN 39 HG2 GLN 39 -15.058 6.045 -1.528 329 HG3 GLN 39 HG3 GLN 39 -14.261 6.635 -0.084 330 HE21 GLN 39 HE21 GLN 39 -12.830 8.522 -0.260 331 HE22 GLN 39 HE22 GLN 39 -12.782 9.432 -1.733 332 H ILE 40 HN ILE 40 -10.947 3.664 -0.251 333 HA ILE 40 HA ILE 40 -10.562 1.772 -2.358 334 HB ILE 40 HB ILE 40 -8.745 2.544 -0.038 335 HG12 ILE 40 HG12 ILE 40 -9.052 4.590 -1.040 336 HG13 ILE 40 HG13 ILE 40 -7.657 4.012 -1.904 337 HG21 ILE 40 HG21 ILE 40 -6.835 1.951 -1.515 338 HG22 ILE 40 HG22 ILE 40 -7.835 0.543 -1.163 339 HG23 ILE 40 HG23 ILE 40 -7.975 1.340 -2.735 340 HD11 ILE 40 HD11 ILE 40 -9.093 4.932 -3.555 341 HD12 ILE 40 HD12 ILE 40 -9.338 3.174 -3.700 342 HD13 ILE 40 HD13 ILE 40 -10.532 4.159 -2.846 343 H ALA 41 HN ALA 41 -11.703 1.281 0.711 344 HA ALA 41 HA ALA 41 -10.799 -1.551 0.962 345 HB1 ALA 41 HB1 ALA 41 -10.873 -0.209 3.008 346 HB2 ALA 41 HB2 ALA 41 -12.603 0.122 2.769 347 HB3 ALA 41 HB3 ALA 41 -12.034 -1.525 3.087 348 H HIS 42 HN HIS 42 -13.874 0.343 0.634 349 HA HIS 42 HA HIS 42 -15.464 -2.021 0.272 350 HB2 HIS 42 HB2 HIS 42 -16.067 0.556 0.868 351 HB3 HIS 42 HB3 HIS 42 -16.411 0.595 -0.861 352 HD1 HIS 42 HD1 HIS 42 -17.696 -0.686 2.430 353 HD2 HIS 42 HD2 HIS 42 -18.376 -1.233 -1.698 354 HE1 HIS 42 HE1 HIS 42 -19.847 -2.093 2.220 355 H ALA 43 HN ALA 43 -13.714 0.136 -1.937 356 HA ALA 43 HA ALA 43 -14.848 -0.802 -4.358 357 HB1 ALA 43 HB1 ALA 43 -13.559 1.306 -4.157 358 HB2 ALA 43 HB2 ALA 43 -12.079 0.364 -3.853 359 HB3 ALA 43 HB3 ALA 43 -12.898 0.266 -5.425 360 H LEU 44 HN LEU 44 -12.844 -2.447 -2.186 361 HA LEU 44 HA LEU 44 -11.947 -4.427 -4.222 362 HB2 LEU 44 HB2 LEU 44 -10.539 -3.463 -1.701 363 HB3 LEU 44 HB3 LEU 44 -9.968 -4.734 -2.785 364 HG LEU 44 HG LEU 44 -10.241 -1.785 -3.505 365 HD11 LEU 44 HD11 LEU 44 -7.816 -1.819 -3.560 366 HD12 LEU 44 HD12 LEU 44 -7.778 -3.538 -3.105 367 HD13 LEU 44 HD13 LEU 44 -8.379 -2.320 -1.962 368 HD21 LEU 44 HD21 LEU 44 -10.560 -2.739 -5.565 369 HD22 LEU 44 HD22 LEU 44 -9.722 -4.236 -5.159 370 HD23 LEU 44 HD23 LEU 44 -8.793 -2.765 -5.519 371 H LYS 45 HN LYS 45 -14.247 -4.088 -1.926 372 HA LYS 45 HA LYS 45 -15.225 -5.377 -0.322 373 HB2 LYS 45 HB2 LYS 45 -14.519 -7.143 -2.574 374 HB3 LYS 45 HB3 LYS 45 -14.708 -8.045 -1.103 375 HG2 LYS 45 HG2 LYS 45 -16.781 -6.090 -2.139 376 HG3 LYS 45 HG3 LYS 45 -16.739 -7.836 -2.435 377 HD2 LYS 45 HD2 LYS 45 -16.670 -8.022 0.193 378 HD3 LYS 45 HD3 LYS 45 -17.345 -6.389 0.134 379 HE2 LYS 45 HE2 LYS 45 -18.475 -8.940 -1.113 380 HE3 LYS 45 HE3 LYS 45 -19.138 -8.040 0.260 381 HZ1 LYS 45 HZ1 LYS 45 -19.065 -7.162 -2.569 382 HZ2 LYS 45 HZ2 LYS 45 -19.480 -6.173 -1.334 383 HZ3 LYS 45 HZ3 LYS 45 -20.390 -7.502 -1.647 384 H LEU 46 HN LEU 46 -12.603 -4.499 0.281 385 HA LEU 46 HA LEU 46 -11.615 -6.580 2.191 386 HB2 LEU 46 HB2 LEU 46 -10.301 -4.209 0.816 387 HB3 LEU 46 HB3 LEU 46 -9.633 -4.850 2.303 388 HG LEU 46 HG LEU 46 -10.141 -6.676 -0.065 389 HD11 LEU 46 HD11 LEU 46 -7.713 -6.314 -0.629 390 HD12 LEU 46 HD12 LEU 46 -7.709 -4.961 0.532 391 HD13 LEU 46 HD13 LEU 46 -8.723 -4.882 -0.902 392 HD21 LEU 46 HD21 LEU 46 -8.049 -6.854 2.158 393 HD22 LEU 46 HD22 LEU 46 -8.388 -8.062 0.930 394 HD23 LEU 46 HD23 LEU 46 -9.614 -7.708 2.178 395 H SER 47 HN SER 47 -10.902 -5.595 4.291 396 HA SER 47 HA SER 47 -12.873 -3.616 5.242 397 HB2 SER 47 HB2 SER 47 -11.101 -4.251 7.332 398 HB3 SER 47 HB3 SER 47 -12.753 -4.806 7.105 399 HG SER 47 HG SER 47 -11.808 -6.582 5.851 400 H GLU 48 HN GLU 48 -12.213 -1.721 6.430 401 HA GLU 48 HA GLU 48 -10.363 -0.032 5.184 402 HB2 GLU 48 HB2 GLU 48 -11.424 -0.104 8.045 403 HB3 GLU 48 HB3 GLU 48 -10.355 1.151 7.433 404 HG2 GLU 48 HG2 GLU 48 -12.050 1.705 5.672 405 HG3 GLU 48 HG3 GLU 48 -13.148 0.525 6.409 406 H VAL 49 HN VAL 49 -9.910 -2.169 8.011 407 HA VAL 49 HA VAL 49 -7.286 -1.292 8.624 408 HB VAL 49 HB VAL 49 -8.683 -3.925 9.230 409 HG11 VAL 49 HG11 VAL 49 -6.075 -2.727 10.282 410 HG12 VAL 49 HG12 VAL 49 -6.974 -4.029 11.112 411 HG13 VAL 49 HG13 VAL 49 -6.347 -4.298 9.482 412 HG21 VAL 49 HG21 VAL 49 -9.084 -2.922 11.436 413 HG22 VAL 49 HG22 VAL 49 -8.267 -1.428 10.949 414 HG23 VAL 49 HG23 VAL 49 -9.803 -1.900 10.191 415 H GLN 50 HN GLN 50 -8.367 -3.817 6.303 416 HA GLN 50 HA GLN 50 -5.820 -4.973 5.844 417 HB2 GLN 50 HB2 GLN 50 -7.947 -4.554 3.713 418 HB3 GLN 50 HB3 GLN 50 -6.756 -5.833 3.818 419 HG2 GLN 50 HG2 GLN 50 -9.174 -5.441 5.538 420 HG3 GLN 50 HG3 GLN 50 -8.901 -6.751 4.395 421 HE21 GLN 50 HE21 GLN 50 -9.479 -6.758 7.356 422 HE22 GLN 50 HE22 GLN 50 -8.085 -7.673 8.046 423 H VAL 51 HN VAL 51 -7.489 -2.268 4.182 424 HA VAL 51 HA VAL 51 -5.299 -1.677 2.437 425 HB VAL 51 HB VAL 51 -7.524 0.202 3.333 426 HG11 VAL 51 HG11 VAL 51 -7.226 1.205 1.142 427 HG12 VAL 51 HG12 VAL 51 -5.652 1.152 1.943 428 HG13 VAL 51 HG13 VAL 51 -6.036 -0.033 0.680 429 HG21 VAL 51 HG21 VAL 51 -8.746 -0.648 1.296 430 HG22 VAL 51 HG22 VAL 51 -7.588 -1.978 1.187 431 HG23 VAL 51 HG23 VAL 51 -8.663 -1.831 2.599 432 H LYS 52 HN LYS 52 -6.146 -0.606 5.727 433 HA LYS 52 HA LYS 52 -4.155 1.418 5.992 434 HB2 LYS 52 HB2 LYS 52 -6.029 1.001 7.563 435 HB3 LYS 52 HB3 LYS 52 -5.218 -0.454 8.144 436 HG2 LYS 52 HG2 LYS 52 -3.440 0.753 9.111 437 HG3 LYS 52 HG3 LYS 52 -3.879 2.241 8.240 438 HD2 LYS 52 HD2 LYS 52 -4.561 2.541 10.506 439 HD3 LYS 52 HD3 LYS 52 -6.033 2.309 9.547 440 HE2 LYS 52 HE2 LYS 52 -5.990 -0.143 10.238 441 HE3 LYS 52 HE3 LYS 52 -4.611 0.232 11.283 442 HZ1 LYS 52 HZ1 LYS 52 -6.090 1.858 12.417 443 HZ2 LYS 52 HZ2 LYS 52 -6.563 0.286 12.555 444 HZ3 LYS 52 HZ3 LYS 52 -7.370 1.285 11.527 445 H ILE 53 HN ILE 53 -3.958 -2.139 6.447 446 HA ILE 53 HA ILE 53 -1.247 -2.099 7.339 447 HB ILE 53 HB ILE 53 -3.009 -4.345 6.314 448 HG12 ILE 53 HG12 ILE 53 -2.044 -3.814 9.158 449 HG13 ILE 53 HG13 ILE 53 -3.495 -3.034 8.537 450 HG21 ILE 53 HG21 ILE 53 -0.269 -4.519 7.668 451 HG22 ILE 53 HG22 ILE 53 -1.350 -5.896 7.370 452 HG23 ILE 53 HG23 ILE 53 -0.652 -5.025 6.008 453 HD11 ILE 53 HD11 ILE 53 -4.502 -5.221 8.036 454 HD12 ILE 53 HD12 ILE 53 -3.086 -6.011 8.777 455 HD13 ILE 53 HD13 ILE 53 -4.130 -4.959 9.753 456 H TRP 54 HN TRP 54 -2.712 -2.711 4.067 457 HA TRP 54 HA TRP 54 -0.246 -3.506 2.919 458 HB2 TRP 54 HB2 TRP 54 -2.551 -3.710 1.878 459 HB3 TRP 54 HB3 TRP 54 -2.437 -2.008 1.424 460 HD1 TRP 54 HD1 TRP 54 -1.389 -5.444 0.450 461 HE1 TRP 54 HE1 TRP 54 0.125 -5.435 -1.627 462 HE3 TRP 54 HE3 TRP 54 -0.749 -0.379 -0.118 463 HZ2 TRP 54 HZ2 TRP 54 1.392 -3.484 -3.353 464 HZ3 TRP 54 HZ3 TRP 54 0.485 0.505 -2.095 465 HH2 TRP 54 HH2 TRP 54 1.585 -1.038 -3.665 466 H PHE 55 HN PHE 55 -1.726 -0.261 3.070 467 HA PHE 55 HA PHE 55 0.297 1.113 1.622 468 HB2 PHE 55 HB2 PHE 55 -1.766 1.904 3.650 469 HB3 PHE 55 HB3 PHE 55 -0.617 3.094 3.102 470 HD1 PHE 55 HD2 PHE 55 -2.852 0.508 1.380 471 HD2 PHE 55 HD1 PHE 55 -1.410 4.590 1.506 472 HE1 PHE 55 HE2 PHE 55 -4.347 1.115 -0.482 473 HE2 PHE 55 HE1 PHE 55 -2.926 5.149 -0.383 474 HZ PHE 55 HZ PHE 55 -4.405 3.411 -1.352 475 H GLN 56 HN GLN 56 0.000 0.557 5.215 476 HA GLN 56 HA GLN 56 2.310 2.108 5.859 477 HB2 GLN 56 HB2 GLN 56 2.428 0.907 7.948 478 HB3 GLN 56 HB3 GLN 56 0.746 1.413 7.613 479 HG2 GLN 56 HG2 GLN 56 0.213 -0.777 6.873 480 HG3 GLN 56 HG3 GLN 56 1.857 -1.356 7.175 481 HE21 GLN 56 HE21 GLN 56 -0.632 0.405 9.197 482 HE22 GLN 56 HE22 GLN 56 -0.006 -0.539 10.540 483 H ASN 57 HN ASN 57 1.949 -1.334 4.983 484 HA ASN 57 HA ASN 57 4.618 -2.098 5.540 485 HB2 ASN 57 HB2 ASN 57 2.269 -3.256 4.026 486 HB3 ASN 57 HB3 ASN 57 3.846 -3.841 3.585 487 HD21 ASN 57 HD21 ASN 57 1.782 -3.300 6.554 488 HD22 ASN 57 HD22 ASN 57 2.619 -4.497 7.477 489 H GLU 58 HN GLU 58 3.051 -0.698 2.768 490 HA GLU 58 HA GLU 58 5.282 -1.063 0.955 491 HB2 GLU 58 HB2 GLU 58 2.726 -0.765 0.426 492 HB3 GLU 58 HB3 GLU 58 2.999 0.946 0.614 493 HG2 GLU 58 HG2 GLU 58 3.181 0.376 -1.750 494 HG3 GLU 58 HG3 GLU 58 4.779 0.849 -1.151 495 H ARG 59 HN ARG 59 3.854 1.773 2.636 496 HA ARG 59 HA ARG 59 5.716 3.732 1.869 497 HB2 ARG 59 HB2 ARG 59 3.469 3.891 2.993 498 HB3 ARG 59 HB3 ARG 59 4.232 3.457 4.518 499 HG2 ARG 59 HG2 ARG 59 5.409 5.575 4.577 500 HG3 ARG 59 HG3 ARG 59 4.950 5.945 2.893 501 HD2 ARG 59 HD2 ARG 59 2.552 5.953 3.500 502 HD3 ARG 59 HD3 ARG 59 2.937 5.428 5.132 503 HE ARG 59 HE ARG 59 3.178 7.531 5.752 504 HH11 ARG 59 HH11 ARG 59 3.406 7.623 2.186 505 HH12 ARG 59 HH12 ARG 59 3.515 9.355 2.142 506 HH21 ARG 59 HH21 ARG 59 2.985 9.755 5.623 507 HH22 ARG 59 HH22 ARG 59 3.244 10.606 4.157 508 H ALA 60 HN ALA 60 5.888 1.363 4.499 509 HA ALA 60 HA ALA 60 8.382 2.370 5.594 510 HB1 ALA 60 HB1 ALA 60 6.827 1.074 6.985 511 HB2 ALA 60 HB2 ALA 60 7.047 -0.348 5.942 512 HB3 ALA 60 HB3 ALA 60 8.412 0.290 6.889 513 H LYS 61 HN LYS 61 7.593 -0.479 3.452 514 HA LYS 61 HA LYS 61 10.345 -1.241 3.259 515 HB2 LYS 61 HB2 LYS 61 9.692 -2.881 1.888 516 HB3 LYS 61 HB3 LYS 61 8.125 -2.543 2.599 517 HG2 LYS 61 HG2 LYS 61 7.655 -1.130 0.501 518 HG3 LYS 61 HG3 LYS 61 9.161 -1.796 -0.149 519 HD2 LYS 61 HD2 LYS 61 8.061 -4.129 0.433 520 HD3 LYS 61 HD3 LYS 61 6.555 -3.184 0.517 521 HE2 LYS 61 HE2 LYS 61 7.489 -2.207 -1.795 522 HE3 LYS 61 HE3 LYS 61 8.399 -3.728 -1.828 523 HZ1 LYS 61 HZ1 LYS 61 6.196 -4.848 -1.646 524 HZ2 LYS 61 HZ2 LYS 61 6.307 -3.856 -2.984 525 HZ3 LYS 61 HZ3 LYS 61 5.483 -3.353 -1.687 526 H TRP 62 HN TRP 62 8.343 0.936 1.316 527 HA TRP 62 HA TRP 62 10.245 1.479 -0.692 528 HB2 TRP 62 HB2 TRP 62 7.693 1.916 -0.608 529 HB3 TRP 62 HB3 TRP 62 8.094 3.399 0.256 530 HD1 TRP 62 HD1 TRP 62 7.607 1.973 -3.110 531 HE1 TRP 62 HE1 TRP 62 8.388 3.558 -4.960 532 HE3 TRP 62 HE3 TRP 62 9.961 5.459 -0.217 533 HZ2 TRP 62 HZ2 TRP 62 9.927 6.016 -5.162 534 HZ3 TRP 62 HZ3 TRP 62 11.059 7.424 -1.250 535 HH2 TRP 62 HH2 TRP 62 11.059 7.691 -3.728 536 H LYS 63 HN LYS 63 9.647 3.011 2.564 537 HA LYS 63 HA LYS 63 11.650 4.997 2.197 538 HB2 LYS 63 HB2 LYS 63 10.496 3.682 4.674 539 HB3 LYS 63 HB3 LYS 63 11.946 4.661 4.798 540 HG2 LYS 63 HG2 LYS 63 10.463 6.404 3.328 541 HG3 LYS 63 HG3 LYS 63 9.156 5.500 4.095 542 HD2 LYS 63 HD2 LYS 63 9.573 7.294 5.551 543 HD3 LYS 63 HD3 LYS 63 10.378 5.926 6.322 544 HE2 LYS 63 HE2 LYS 63 12.526 6.731 5.089 545 HE3 LYS 63 HE3 LYS 63 11.625 8.199 4.716 546 HZ1 LYS 63 HZ1 LYS 63 11.304 8.409 7.198 547 HZ2 LYS 63 HZ2 LYS 63 12.902 8.513 6.757 548 HZ3 LYS 63 HZ3 LYS 63 12.291 7.161 7.411 549 H ARG 64 HN ARG 64 12.238 1.503 2.590 550 HA ARG 64 HA ARG 64 15.005 1.977 3.337 551 HB2 ARG 64 HB2 ARG 64 13.755 -0.539 2.150 552 HB3 ARG 64 HB3 ARG 64 15.423 -0.374 2.697 553 HG2 ARG 64 HG2 ARG 64 14.228 0.454 4.957 554 HG3 ARG 64 HG3 ARG 64 12.914 -0.526 4.311 555 HD2 ARG 64 HD2 ARG 64 14.049 -2.112 5.571 556 HD3 ARG 64 HD3 ARG 64 14.786 -2.376 3.990 557 HE ARG 64 HE ARG 64 16.326 -0.443 5.353 558 HH11 ARG 64 HH11 ARG 64 15.562 -3.896 5.748 559 HH12 ARG 64 HH12 ARG 64 16.908 -4.213 6.792 560 HH21 ARG 64 HH21 ARG 64 18.200 -0.911 6.613 561 HH22 ARG 64 HH22 ARG 64 18.573 -2.512 7.060 562 H ILE 65 HN ILE 65 13.350 2.487 0.440 563 HA ILE 65 HA ILE 65 15.608 1.958 -1.339 564 HB ILE 65 HB ILE 65 13.082 3.568 -1.879 565 HG12 ILE 65 HG12 ILE 65 13.707 0.678 -2.673 566 HG13 ILE 65 HG13 ILE 65 12.730 1.092 -1.269 567 HG21 ILE 65 HG21 ILE 65 15.260 2.445 -3.704 568 HG22 ILE 65 HG22 ILE 65 13.729 3.169 -4.273 569 HG23 ILE 65 HG23 ILE 65 14.897 4.148 -3.407 570 HD11 ILE 65 HD11 ILE 65 12.018 1.727 -4.146 571 HD12 ILE 65 HD12 ILE 65 11.242 0.574 -3.045 572 HD13 ILE 65 HD13 ILE 65 11.134 2.318 -2.727 573 H LYS 66 HN LYS 66 14.175 4.823 0.279 574 HA LYS 66 HA LYS 66 15.940 6.750 -0.868 575 HB2 LYS 66 HB2 LYS 66 14.044 6.686 1.471 576 HB3 LYS 66 HB3 LYS 66 15.222 7.975 1.445 577 HG2 LYS 66 HG2 LYS 66 13.317 7.372 -0.846 578 HG3 LYS 66 HG3 LYS 66 13.009 8.567 0.411 579 HD2 LYS 66 HD2 LYS 66 15.298 8.652 -1.601 580 HD3 LYS 66 HD3 LYS 66 13.830 9.598 -1.700 581 HE2 LYS 66 HE2 LYS 66 15.679 9.791 0.712 582 HE3 LYS 66 HE3 LYS 66 15.992 10.701 -0.765 583 HZ1 LYS 66 HZ1 LYS 66 14.055 11.928 -0.495 584 HZ2 LYS 66 HZ2 LYS 66 14.749 11.890 0.960 585 HZ3 LYS 66 HZ3 LYS 66 13.431 10.952 0.702 586 H ALA 67 HN ALA 67 16.789 4.309 1.245 587 HA ALA 67 HA ALA 67 18.774 3.603 1.639 588 HB1 ALA 67 HB1 ALA 67 20.723 4.563 0.592 589 HB2 ALA 67 HB2 ALA 67 19.349 4.566 -0.506 590 HB3 ALA 67 HB3 ALA 67 19.851 6.077 0.295 591 H GLY 68 HN GLY 68 17.766 6.407 3.245 592 HA2 GLY 68 HA1 GLY 68 18.472 7.276 5.328 593 HA3 GLY 68 HA2 GLY 68 19.897 6.233 5.306 594 H ASN 69 HN ASN 69 18.403 8.608 3.120 595 HA ASN 69 HA ASN 69 20.837 9.812 2.159 596 HB2 ASN 69 HB2 ASN 69 17.958 10.010 1.655 597 HB3 ASN 69 HB3 ASN 69 18.715 11.588 1.720 598 HD21 ASN 69 HD21 ASN 69 18.934 8.403 0.192 599 HD22 ASN 69 HD22 ASN 69 19.953 8.866 -1.155 600 H VAL 70 HN VAL 70 21.931 10.310 4.044 601 HA VAL 70 HA VAL 70 22.625 11.511 5.844 602 HB VAL 70 HB VAL 70 21.339 13.784 4.309 603 HG11 VAL 70 HG11 VAL 70 23.641 13.683 6.296 604 HG12 VAL 70 HG12 VAL 70 23.423 15.026 5.150 605 HG13 VAL 70 HG13 VAL 70 22.198 14.726 6.352 606 HG21 VAL 70 HG21 VAL 70 22.769 12.396 2.825 607 HG22 VAL 70 HG22 VAL 70 23.504 13.966 3.139 608 HG23 VAL 70 HG23 VAL 70 24.096 12.520 3.995 609 H SER 71 HN SER 71 20.095 10.237 6.131 610 HA SER 71 HA SER 71 18.698 9.722 7.811 611 HB2 SER 71 HB2 SER 71 20.302 11.682 9.500 612 HB3 SER 71 HB3 SER 71 19.231 10.410 10.085 613 HG SER 71 HG SER 71 21.102 9.346 10.096 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 25.648 -12.292 2.215 2 HA2 GLY 1 HA1 GLY 1 24.598 -10.119 1.771 3 HA3 GLY 1 HA2 GLY 1 23.512 -11.474 1.414 4 H ALA 2 HN ALA 2 22.221 -9.296 1.741 5 HA ALA 2 HA ALA 2 20.599 -8.180 2.681 6 HB1 ALA 2 HB1 ALA 2 20.221 -10.759 4.180 7 HB2 ALA 2 HB2 ALA 2 19.040 -9.428 4.161 8 HB3 ALA 2 HB3 ALA 2 19.455 -10.252 2.657 9 HA PRO 3 HA PRO 3 22.770 -6.581 6.468 10 HB2 PRO 3 HB2 PRO 3 22.309 -3.918 5.888 11 HB3 PRO 3 HB3 PRO 3 23.725 -4.834 5.299 12 HG2 PRO 3 HG2 PRO 3 21.153 -4.255 3.817 13 HG3 PRO 3 HG3 PRO 3 22.835 -4.111 3.223 14 HD2 PRO 3 HD2 PRO 3 21.350 -6.269 2.646 15 HD3 PRO 3 HD3 PRO 3 23.082 -6.433 3.028 16 H GLY 4 HN GLY 4 19.769 -5.309 4.919 17 HA2 GLY 4 HA1 GLY 4 18.670 -4.618 7.567 18 HA3 GLY 4 HA2 GLY 4 18.074 -4.126 5.983 19 H GLY 5 HN GLY 5 18.790 -7.504 6.155 20 HA2 GLY 5 HA1 GLY 5 16.084 -8.139 5.486 21 HA3 GLY 5 HA2 GLY 5 17.387 -9.297 5.825 22 H LYS 6 HN LYS 6 14.379 -8.473 6.850 23 HA LYS 6 HA LYS 6 14.746 -10.238 9.082 24 HB2 LYS 6 HB2 LYS 6 15.062 -7.888 10.089 25 HB3 LYS 6 HB3 LYS 6 13.348 -7.651 9.782 26 HG2 LYS 6 HG2 LYS 6 13.006 -8.563 11.800 27 HG3 LYS 6 HG3 LYS 6 13.342 -10.129 11.064 28 HD2 LYS 6 HD2 LYS 6 15.340 -8.289 12.409 29 HD3 LYS 6 HD3 LYS 6 14.618 -9.721 13.144 30 HE2 LYS 6 HE2 LYS 6 15.763 -11.190 11.597 31 HE3 LYS 6 HE3 LYS 6 16.362 -9.808 10.651 32 HZ1 LYS 6 HZ1 LYS 6 17.647 -9.104 12.521 33 HZ2 LYS 6 HZ2 LYS 6 18.044 -10.652 12.180 34 HZ3 LYS 6 HZ3 LYS 6 17.099 -10.305 13.481 35 H SER 7 HN SER 7 13.612 -10.974 6.863 36 HA SER 7 HA SER 7 11.815 -11.804 5.842 37 HB2 SER 7 HB2 SER 7 11.754 -12.757 8.147 38 HB3 SER 7 HB3 SER 7 10.444 -11.628 8.532 39 HG SER 7 HG SER 7 10.000 -13.871 7.613 40 H ARG 8 HN ARG 8 11.182 -10.298 4.277 41 HA ARG 8 HA ARG 8 8.770 -8.681 4.918 42 HB2 ARG 8 HB2 ARG 8 11.219 -7.542 3.496 43 HB3 ARG 8 HB3 ARG 8 9.675 -6.732 3.766 44 HG2 ARG 8 HG2 ARG 8 10.084 -6.914 6.263 45 HG3 ARG 8 HG3 ARG 8 11.722 -7.516 5.889 46 HD2 ARG 8 HD2 ARG 8 12.248 -5.445 4.685 47 HD3 ARG 8 HD3 ARG 8 10.568 -4.864 4.918 48 HE ARG 8 HE ARG 8 12.218 -5.494 7.327 49 HH11 ARG 8 HH11 ARG 8 10.879 -2.904 5.240 50 HH12 ARG 8 HH12 ARG 8 11.212 -1.681 6.426 51 HH21 ARG 8 HH21 ARG 8 12.251 -3.889 8.966 52 HH22 ARG 8 HH22 ARG 8 11.795 -2.258 8.602 53 H ARG 9 HN ARG 9 7.281 -8.913 3.254 54 HA ARG 9 HA ARG 9 8.219 -9.927 0.609 55 HB2 ARG 9 HB2 ARG 9 5.866 -11.054 2.184 56 HB3 ARG 9 HB3 ARG 9 6.379 -11.534 0.557 57 HG2 ARG 9 HG2 ARG 9 8.585 -12.276 1.579 58 HG3 ARG 9 HG3 ARG 9 7.860 -11.954 3.159 59 HD2 ARG 9 HD2 ARG 9 5.919 -13.489 2.336 60 HD3 ARG 9 HD3 ARG 9 7.068 -14.062 1.124 61 HE ARG 9 HE ARG 9 8.384 -14.182 3.583 62 HH11 ARG 9 HH11 ARG 9 5.557 -15.725 2.075 63 HH12 ARG 9 HH12 ARG 9 5.430 -16.976 3.252 64 HH21 ARG 9 HH21 ARG 9 8.190 -15.902 5.205 65 HH22 ARG 9 HH22 ARG 9 7.095 -17.191 4.878 66 H ARG 10 HN ARG 10 6.125 -9.832 -0.992 67 HA ARG 10 HA ARG 10 4.505 -7.426 -0.390 68 HB2 ARG 10 HB2 ARG 10 5.399 -6.126 -2.203 69 HB3 ARG 10 HB3 ARG 10 6.663 -6.494 -1.059 70 HG2 ARG 10 HG2 ARG 10 7.957 -7.438 -2.647 71 HG3 ARG 10 HG3 ARG 10 6.671 -8.550 -3.134 72 HD2 ARG 10 HD2 ARG 10 5.637 -6.729 -4.483 73 HD3 ARG 10 HD3 ARG 10 6.994 -5.669 -4.074 74 HE ARG 10 HE ARG 10 8.189 -7.917 -5.197 75 HH11 ARG 10 HH11 ARG 10 5.624 -5.707 -6.248 76 HH12 ARG 10 HH12 ARG 10 6.125 -5.690 -7.900 77 HH21 ARG 10 HH21 ARG 10 8.874 -7.869 -7.387 78 HH22 ARG 10 HH22 ARG 10 7.990 -6.957 -8.572 79 H ARG 11 HN ARG 11 3.361 -9.954 -0.787 80 HA ARG 11 HA ARG 11 1.905 -9.383 -3.279 81 HB2 ARG 11 HB2 ARG 11 3.896 -10.765 -3.955 82 HB3 ARG 11 HB3 ARG 11 3.324 -12.055 -2.904 83 HG2 ARG 11 HG2 ARG 11 1.099 -11.527 -4.524 84 HG3 ARG 11 HG3 ARG 11 2.439 -11.209 -5.610 85 HD2 ARG 11 HD2 ARG 11 2.167 -13.777 -3.973 86 HD3 ARG 11 HD3 ARG 11 1.537 -13.585 -5.610 87 HE ARG 11 HE ARG 11 4.305 -12.852 -5.573 88 HH11 ARG 11 HH11 ARG 11 2.329 -15.832 -5.306 89 HH12 ARG 11 HH12 ARG 11 3.355 -16.719 -6.379 90 HH21 ARG 11 HH21 ARG 11 5.751 -14.142 -6.704 91 HH22 ARG 11 HH22 ARG 11 5.382 -15.810 -7.065 92 H THR 12 HN THR 12 0.545 -8.910 -1.146 93 HA THR 12 HA THR 12 -0.750 -11.227 -0.017 94 HB THR 12 HB THR 12 -2.346 -8.732 -0.043 95 HG1 THR 12 HG1 THR 12 -1.008 -7.569 1.269 96 HG21 THR 12 HG21 THR 12 -2.353 -9.221 2.410 97 HG22 THR 12 HG22 THR 12 -1.164 -10.500 2.167 98 HG23 THR 12 HG23 THR 12 -2.752 -10.673 1.469 99 H ALA 13 HN ALA 13 -3.389 -11.271 -0.280 100 HA ALA 13 HA ALA 13 -3.705 -12.278 -2.962 101 HB1 ALA 13 HB1 ALA 13 -4.413 -13.480 -0.873 102 HB2 ALA 13 HB2 ALA 13 -5.629 -12.212 -0.588 103 HB3 ALA 13 HB3 ALA 13 -5.748 -13.259 -2.016 104 H PHE 14 HN PHE 14 -3.517 -9.547 -3.209 105 HA PHE 14 HA PHE 14 -6.263 -8.558 -3.650 106 HB2 PHE 14 HB2 PHE 14 -3.508 -7.294 -3.575 107 HB3 PHE 14 HB3 PHE 14 -4.824 -6.455 -4.340 108 HD1 PHE 14 HD1 PHE 14 -5.610 -8.430 -1.286 109 HD2 PHE 14 HD2 PHE 14 -4.703 -4.610 -2.932 110 HE1 PHE 14 HE1 PHE 14 -6.377 -7.440 0.757 111 HE2 PHE 14 HE2 PHE 14 -5.290 -3.564 -0.692 112 HZ PHE 14 HZ PHE 14 -6.148 -4.943 1.102 113 H THR 15 HN THR 15 -6.994 -8.482 -5.679 114 HA THR 15 HA THR 15 -5.535 -9.921 -7.829 115 HB THR 15 HB THR 15 -7.692 -9.688 -9.080 116 HG1 THR 15 HG1 THR 15 -9.478 -9.012 -8.153 117 HG21 THR 15 HG21 THR 15 -7.109 -11.838 -7.862 118 HG22 THR 15 HG22 THR 15 -8.859 -11.571 -7.915 119 HG23 THR 15 HG23 THR 15 -7.951 -11.219 -6.427 120 H SER 16 HN SER 16 -5.641 -8.726 -9.977 121 HA SER 16 HA SER 16 -4.355 -6.304 -9.722 122 HB2 SER 16 HB2 SER 16 -4.347 -6.241 -12.014 123 HB3 SER 16 HB3 SER 16 -4.531 -7.961 -11.573 124 HG SER 16 HG SER 16 -6.883 -7.616 -11.982 125 H GLU 17 HN GLU 17 -7.752 -6.815 -10.231 126 HA GLU 17 HA GLU 17 -8.750 -4.211 -10.585 127 HB2 GLU 17 HB2 GLU 17 -9.949 -6.721 -9.324 128 HB3 GLU 17 HB3 GLU 17 -10.851 -5.327 -9.873 129 HG2 GLU 17 HG2 GLU 17 -11.068 -6.497 -11.799 130 HG3 GLU 17 HG3 GLU 17 -9.490 -5.865 -12.185 131 H GLN 18 HN GLN 18 -7.617 -5.748 -7.729 132 HA GLN 18 HA GLN 18 -8.728 -3.624 -5.976 133 HB2 GLN 18 HB2 GLN 18 -7.186 -5.873 -4.775 134 HB3 GLN 18 HB3 GLN 18 -8.519 -4.912 -4.130 135 HG2 GLN 18 HG2 GLN 18 -9.982 -6.115 -5.952 136 HG3 GLN 18 HG3 GLN 18 -8.537 -7.121 -6.110 137 HE21 GLN 18 HE21 GLN 18 -11.475 -6.704 -4.229 138 HE22 GLN 18 HE22 GLN 18 -11.105 -8.030 -3.181 139 H LEU 19 HN LEU 19 -5.692 -4.616 -7.500 140 HA LEU 19 HA LEU 19 -4.077 -2.919 -5.762 141 HB2 LEU 19 HB2 LEU 19 -3.511 -4.336 -8.418 142 HB3 LEU 19 HB3 LEU 19 -2.379 -3.276 -7.581 143 HG LEU 19 HG LEU 19 -2.725 -4.866 -5.506 144 HD11 LEU 19 HD11 LEU 19 -4.472 -6.108 -6.294 145 HD12 LEU 19 HD12 LEU 19 -3.063 -7.112 -5.988 146 HD13 LEU 19 HD13 LEU 19 -3.539 -6.750 -7.672 147 HD21 LEU 19 HD21 LEU 19 -0.601 -4.767 -7.080 148 HD22 LEU 19 HD22 LEU 19 -1.388 -6.056 -8.005 149 HD23 LEU 19 HD23 LEU 19 -0.927 -6.343 -6.315 150 H LEU 20 HN LEU 20 -6.180 -2.311 -8.526 151 HA LEU 20 HA LEU 20 -4.399 -0.439 -9.829 152 HB2 LEU 20 HB2 LEU 20 -6.399 -1.931 -10.760 153 HB3 LEU 20 HB3 LEU 20 -7.382 -0.536 -10.346 154 HG LEU 20 HG LEU 20 -5.036 -0.699 -12.283 155 HD11 LEU 20 HD11 LEU 20 -7.964 0.036 -12.686 156 HD12 LEU 20 HD12 LEU 20 -7.258 -1.560 -12.997 157 HD13 LEU 20 HD13 LEU 20 -6.731 -0.158 -13.951 158 HD21 LEU 20 HD21 LEU 20 -4.781 1.485 -11.300 159 HD22 LEU 20 HD22 LEU 20 -6.527 1.803 -11.406 160 HD23 LEU 20 HD23 LEU 20 -5.518 1.684 -12.885 161 H GLU 21 HN GLU 21 -7.486 -0.057 -8.185 162 HA GLU 21 HA GLU 21 -7.741 2.739 -8.064 163 HB2 GLU 21 HB2 GLU 21 -8.708 0.593 -6.140 164 HB3 GLU 21 HB3 GLU 21 -9.411 2.160 -6.313 165 HG2 GLU 21 HG2 GLU 21 -9.399 0.037 -8.520 166 HG3 GLU 21 HG3 GLU 21 -10.727 0.372 -7.419 167 H LEU 22 HN LEU 22 -6.239 0.396 -5.920 168 HA LEU 22 HA LEU 22 -5.321 1.983 -3.764 169 HB2 LEU 22 HB2 LEU 22 -4.803 -0.670 -4.989 170 HB3 LEU 22 HB3 LEU 22 -3.357 0.014 -4.287 171 HG LEU 22 HG LEU 22 -4.325 0.128 -2.111 172 HD11 LEU 22 HD11 LEU 22 -6.656 0.770 -2.649 173 HD12 LEU 22 HD12 LEU 22 -6.635 -0.668 -1.628 174 HD13 LEU 22 HD13 LEU 22 -6.933 -0.803 -3.382 175 HD21 LEU 22 HD21 LEU 22 -4.160 -2.098 -1.687 176 HD22 LEU 22 HD22 LEU 22 -3.698 -2.207 -3.387 177 HD23 LEU 22 HD23 LEU 22 -5.348 -2.563 -2.910 178 H ARG 23 HN ARG 23 -3.927 1.558 -7.022 179 HA ARG 23 HA ARG 23 -1.449 2.926 -6.187 180 HB2 ARG 23 HB2 ARG 23 -2.351 1.629 -8.788 181 HB3 ARG 23 HB3 ARG 23 -0.804 2.458 -8.591 182 HG2 ARG 23 HG2 ARG 23 0.021 0.828 -7.042 183 HG3 ARG 23 HG3 ARG 23 -1.564 0.173 -6.727 184 HD2 ARG 23 HD2 ARG 23 -1.706 -0.894 -8.834 185 HD3 ARG 23 HD3 ARG 23 -0.430 0.106 -9.521 186 HE ARG 23 HE ARG 23 1.016 -1.117 -7.693 187 HH11 ARG 23 HH11 ARG 23 -1.351 -2.539 -9.948 188 HH12 ARG 23 HH12 ARG 23 -0.449 -3.991 -10.193 189 HH21 ARG 23 HH21 ARG 23 2.191 -3.126 -7.999 190 HH22 ARG 23 HH22 ARG 23 1.519 -4.361 -8.979 191 H LYS 24 HN LYS 24 -4.562 3.561 -7.777 192 HA LYS 24 HA LYS 24 -3.859 6.007 -9.065 193 HB2 LYS 24 HB2 LYS 24 -6.530 5.436 -7.682 194 HB3 LYS 24 HB3 LYS 24 -6.206 6.687 -8.858 195 HG2 LYS 24 HG2 LYS 24 -5.752 4.872 -10.571 196 HG3 LYS 24 HG3 LYS 24 -6.191 3.697 -9.352 197 HD2 LYS 24 HD2 LYS 24 -8.139 3.945 -10.599 198 HD3 LYS 24 HD3 LYS 24 -8.437 4.879 -9.133 199 HE2 LYS 24 HE2 LYS 24 -7.803 6.967 -10.417 200 HE3 LYS 24 HE3 LYS 24 -7.627 5.955 -11.868 201 HZ1 LYS 24 HZ1 LYS 24 -10.119 6.417 -10.343 202 HZ2 LYS 24 HZ2 LYS 24 -9.993 5.322 -11.559 203 HZ3 LYS 24 HZ3 LYS 24 -9.801 6.918 -11.865 204 H GLU 25 HN GLU 25 -5.228 5.314 -5.877 205 HA GLU 25 HA GLU 25 -5.146 7.830 -4.685 206 HB2 GLU 25 HB2 GLU 25 -5.380 4.970 -3.881 207 HB3 GLU 25 HB3 GLU 25 -4.706 5.966 -2.620 208 HG2 GLU 25 HG2 GLU 25 -7.298 6.634 -4.082 209 HG3 GLU 25 HG3 GLU 25 -7.216 5.701 -2.584 210 H PHE 26 HN PHE 26 -2.566 5.391 -4.887 211 HA PHE 26 HA PHE 26 -0.782 6.501 -3.014 212 HB2 PHE 26 HB2 PHE 26 -0.666 4.231 -4.176 213 HB3 PHE 26 HB3 PHE 26 0.000 5.051 -5.584 214 HD1 PHE 26 HD1 PHE 26 0.526 4.197 -2.025 215 HD2 PHE 26 HD2 PHE 26 2.372 5.802 -5.581 216 HE1 PHE 26 HE1 PHE 26 2.720 4.048 -0.947 217 HE2 PHE 26 HE2 PHE 26 4.634 5.590 -4.494 218 HZ PHE 26 HZ PHE 26 4.805 4.689 -2.224 219 H HIS 27 HN HIS 27 -1.358 7.396 -6.390 220 HA HIS 27 HA HIS 27 1.111 8.969 -6.528 221 HB2 HIS 27 HB2 HIS 27 0.155 7.367 -8.309 222 HB3 HIS 27 HB3 HIS 27 -1.011 8.637 -8.663 223 HD1 HIS 27 HD1 HIS 27 -0.171 9.491 -10.947 224 HD2 HIS 27 HD2 HIS 27 2.905 8.830 -8.146 225 HE1 HIS 27 HE1 HIS 27 2.035 10.149 -12.095 226 H CYS 28 HN CYS 28 -1.439 9.775 -4.821 227 HA CYS 28 HA CYS 28 -1.265 12.574 -5.632 228 HB2 CYS 28 HB2 CYS 28 -3.197 11.401 -6.954 229 HB3 CYS 28 HB3 CYS 28 -4.059 11.444 -5.406 230 HG CYS 28 HG CYS 28 -4.789 13.426 -6.987 231 H LYS 29 HN LYS 29 -3.126 10.385 -3.426 232 HA LYS 29 HA LYS 29 -2.632 12.260 -1.172 233 HB2 LYS 29 HB2 LYS 29 -4.428 9.945 -1.674 234 HB3 LYS 29 HB3 LYS 29 -3.696 9.970 -0.070 235 HG2 LYS 29 HG2 LYS 29 -4.592 12.190 0.370 236 HG3 LYS 29 HG3 LYS 29 -5.353 12.221 -1.237 237 HD2 LYS 29 HD2 LYS 29 -6.654 10.190 -0.613 238 HD3 LYS 29 HD3 LYS 29 -5.921 10.184 0.984 239 HE2 LYS 29 HE2 LYS 29 -7.279 11.821 1.773 240 HE3 LYS 29 HE3 LYS 29 -7.133 12.788 0.297 241 HZ1 LYS 29 HZ1 LYS 29 -8.753 11.457 -0.753 242 HZ2 LYS 29 HZ2 LYS 29 -9.416 11.940 0.695 243 HZ3 LYS 29 HZ3 LYS 29 -8.885 10.402 0.451 244 H LYS 30 HN LYS 30 -1.816 10.834 0.761 245 HA LYS 30 HA LYS 30 0.340 8.950 -0.051 246 HB2 LYS 30 HB2 LYS 30 1.724 9.907 1.869 247 HB3 LYS 30 HB3 LYS 30 1.705 10.804 0.378 248 HG2 LYS 30 HG2 LYS 30 -0.238 11.479 2.603 249 HG3 LYS 30 HG3 LYS 30 1.461 12.017 2.683 250 HD2 LYS 30 HD2 LYS 30 0.842 12.825 0.137 251 HD3 LYS 30 HD3 LYS 30 -0.734 13.013 0.917 252 HE2 LYS 30 HE2 LYS 30 0.151 14.559 2.527 253 HE3 LYS 30 HE3 LYS 30 1.824 14.175 2.088 254 HZ1 LYS 30 HZ1 LYS 30 1.596 15.264 0.057 255 HZ2 LYS 30 HZ2 LYS 30 0.911 16.280 1.142 256 HZ3 LYS 30 HZ3 LYS 30 -0.050 15.379 0.155 257 H TYR 31 HN TYR 31 -2.243 9.862 2.186 258 HA TYR 31 HA TYR 31 -2.104 7.225 3.227 259 HB2 TYR 31 HB2 TYR 31 -2.394 8.158 5.637 260 HB3 TYR 31 HB3 TYR 31 -0.797 7.918 4.961 261 HD1 TYR 31 HD2 TYR 31 -3.370 10.571 5.638 262 HD2 TYR 31 HD1 TYR 31 0.772 9.716 4.724 263 HE1 TYR 31 HE2 TYR 31 -2.778 12.908 6.149 264 HE2 TYR 31 HE1 TYR 31 1.362 12.060 5.255 265 HH TYR 31 HH TYR 31 -0.905 14.389 6.599 266 H LEU 32 HN LEU 32 -4.079 6.504 3.854 267 HA LEU 32 HA LEU 32 -6.445 8.085 3.115 268 HB2 LEU 32 HB2 LEU 32 -6.095 5.246 4.205 269 HB3 LEU 32 HB3 LEU 32 -7.617 5.940 3.709 270 HG LEU 32 HG LEU 32 -5.246 5.426 1.879 271 HD11 LEU 32 HD11 LEU 32 -6.382 3.374 2.712 272 HD12 LEU 32 HD12 LEU 32 -6.646 3.618 0.979 273 HD13 LEU 32 HD13 LEU 32 -7.934 4.016 2.113 274 HD21 LEU 32 HD21 LEU 32 -6.597 7.333 1.042 275 HD22 LEU 32 HD22 LEU 32 -8.063 6.325 1.138 276 HD23 LEU 32 HD23 LEU 32 -6.748 5.913 0.025 277 H SER 33 HN SER 33 -7.617 9.242 4.616 278 HA SER 33 HA SER 33 -7.117 8.911 7.469 279 HB2 SER 33 HB2 SER 33 -7.737 11.075 6.232 280 HB3 SER 33 HB3 SER 33 -9.404 10.465 6.354 281 HG SER 33 HG SER 33 -8.711 11.803 8.076 282 H LEU 34 HN LEU 34 -9.539 8.920 8.654 283 HA LEU 34 HA LEU 34 -9.917 6.172 8.971 284 HB2 LEU 34 HB2 LEU 34 -11.477 8.628 9.836 285 HB3 LEU 34 HB3 LEU 34 -12.078 7.035 10.207 286 HG LEU 34 HG LEU 34 -10.840 8.082 12.066 287 HD11 LEU 34 HD11 LEU 34 -11.123 5.648 11.891 288 HD12 LEU 34 HD12 LEU 34 -9.656 6.102 12.746 289 HD13 LEU 34 HD13 LEU 34 -9.551 5.522 11.065 290 HD21 LEU 34 HD21 LEU 34 -9.061 9.230 10.807 291 HD22 LEU 34 HD22 LEU 34 -8.297 7.645 10.464 292 HD23 LEU 34 HD23 LEU 34 -8.472 8.237 12.136 293 H THR 35 HN THR 35 -12.268 8.501 7.590 294 HA THR 35 HA THR 35 -14.070 6.483 6.726 295 HB THR 35 HB THR 35 -13.710 9.406 5.960 296 HG1 THR 35 HG1 THR 35 -14.977 9.743 7.687 297 HG21 THR 35 HG21 THR 35 -15.136 8.336 4.264 298 HG22 THR 35 HG22 THR 35 -16.142 9.314 5.336 299 HG23 THR 35 HG23 THR 35 -16.106 7.543 5.522 300 H GLU 36 HN GLU 36 -11.469 8.250 4.955 301 HA GLU 36 HA GLU 36 -11.857 7.184 2.423 302 HB2 GLU 36 HB2 GLU 36 -9.096 7.513 3.600 303 HB3 GLU 36 HB3 GLU 36 -9.625 7.683 1.942 304 HG2 GLU 36 HG2 GLU 36 -9.862 9.542 4.275 305 HG3 GLU 36 HG3 GLU 36 -9.186 9.851 2.674 306 H ARG 37 HN ARG 37 -9.818 5.795 5.015 307 HA ARG 37 HA ARG 37 -9.053 3.354 3.834 308 HB2 ARG 37 HB2 ARG 37 -9.600 4.250 6.658 309 HB3 ARG 37 HB3 ARG 37 -9.596 2.523 6.330 310 HG2 ARG 37 HG2 ARG 37 -7.323 2.593 5.480 311 HG3 ARG 37 HG3 ARG 37 -7.278 4.351 5.723 312 HD2 ARG 37 HD2 ARG 37 -6.179 2.945 7.545 313 HD3 ARG 37 HD3 ARG 37 -7.337 4.189 8.050 314 HE ARG 37 HE ARG 37 -8.354 1.451 7.655 315 HH11 ARG 37 HH11 ARG 37 -7.306 3.868 10.075 316 HH12 ARG 37 HH12 ARG 37 -8.466 3.293 11.251 317 HH21 ARG 37 HH21 ARG 37 -10.100 1.053 9.258 318 HH22 ARG 37 HH22 ARG 37 -9.835 1.640 10.835 319 H SER 38 HN SER 38 -12.176 4.138 5.373 320 HA SER 38 HA SER 38 -13.170 1.447 5.161 321 HB2 SER 38 HB2 SER 38 -13.864 3.479 6.676 322 HB3 SER 38 HB3 SER 38 -14.934 3.877 5.323 323 HG SER 38 HG SER 38 -15.003 1.820 7.175 324 H GLN 39 HN GLN 39 -13.463 4.382 3.082 325 HA GLN 39 HA GLN 39 -15.315 3.330 1.205 326 HB2 GLN 39 HB2 GLN 39 -13.177 5.501 1.013 327 HB3 GLN 39 HB3 GLN 39 -14.289 5.116 -0.292 328 HG2 GLN 39 HG2 GLN 39 -16.213 5.607 1.131 329 HG3 GLN 39 HG3 GLN 39 -15.168 5.968 2.501 330 HE21 GLN 39 HE21 GLN 39 -13.812 7.909 2.433 331 HE22 GLN 39 HE22 GLN 39 -14.178 9.181 1.274 332 H ILE 40 HN ILE 40 -11.716 3.625 0.928 333 HA ILE 40 HA ILE 40 -11.557 2.326 -1.580 334 HB ILE 40 HB ILE 40 -9.430 2.335 0.594 335 HG12 ILE 40 HG12 ILE 40 -9.830 4.605 0.513 336 HG13 ILE 40 HG13 ILE 40 -8.516 4.407 -0.600 337 HG21 ILE 40 HG21 ILE 40 -8.801 0.938 -1.322 338 HG22 ILE 40 HG22 ILE 40 -9.151 2.264 -2.443 339 HG23 ILE 40 HG23 ILE 40 -7.804 2.399 -1.292 340 HD11 ILE 40 HD11 ILE 40 -10.188 5.964 -1.446 341 HD12 ILE 40 HD12 ILE 40 -10.065 4.532 -2.486 342 HD13 ILE 40 HD13 ILE 40 -11.439 4.703 -1.362 343 H ALA 41 HN ALA 41 -12.066 1.051 1.463 344 HA ALA 41 HA ALA 41 -11.074 -1.714 0.919 345 HB1 ALA 41 HB1 ALA 41 -10.677 -0.797 3.185 346 HB2 ALA 41 HB2 ALA 41 -12.422 -0.575 3.419 347 HB3 ALA 41 HB3 ALA 41 -11.743 -2.201 3.240 348 H HIS 42 HN HIS 42 -14.116 -0.019 1.747 349 HA HIS 42 HA HIS 42 -15.890 -2.196 1.371 350 HB2 HIS 42 HB2 HIS 42 -16.522 -0.117 2.535 351 HB3 HIS 42 HB3 HIS 42 -16.233 0.831 1.077 352 HD1 HIS 42 HD1 HIS 42 -18.917 -1.222 2.757 353 HD2 HIS 42 HD2 HIS 42 -18.007 0.444 -1.010 354 HE1 HIS 42 HE1 HIS 42 -21.070 -1.237 1.418 355 H ALA 43 HN ALA 43 -14.564 0.230 -0.888 356 HA ALA 43 HA ALA 43 -16.256 -0.335 -3.104 357 HB1 ALA 43 HB1 ALA 43 -14.722 1.606 -3.001 358 HB2 ALA 43 HB2 ALA 43 -13.322 0.523 -3.104 359 HB3 ALA 43 HB3 ALA 43 -14.449 0.644 -4.471 360 H LEU 44 HN LEU 44 -13.254 -1.816 -2.012 361 HA LEU 44 HA LEU 44 -13.205 -3.767 -4.236 362 HB2 LEU 44 HB2 LEU 44 -11.160 -3.093 -2.089 363 HB3 LEU 44 HB3 LEU 44 -10.900 -4.147 -3.488 364 HG LEU 44 HG LEU 44 -11.562 -1.151 -3.655 365 HD11 LEU 44 HD11 LEU 44 -8.908 -2.554 -4.002 366 HD12 LEU 44 HD12 LEU 44 -9.396 -1.446 -2.695 367 HD13 LEU 44 HD13 LEU 44 -9.246 -0.831 -4.334 368 HD21 LEU 44 HD21 LEU 44 -12.326 -2.212 -5.666 369 HD22 LEU 44 HD22 LEU 44 -10.829 -3.155 -5.818 370 HD23 LEU 44 HD23 LEU 44 -10.818 -1.377 -6.020 371 H LYS 45 HN LYS 45 -14.844 -3.559 -1.563 372 HA LYS 45 HA LYS 45 -15.799 -4.672 -0.062 373 HB2 LYS 45 HB2 LYS 45 -16.134 -6.079 -2.367 374 HB3 LYS 45 HB3 LYS 45 -15.481 -7.360 -1.356 375 HG2 LYS 45 HG2 LYS 45 -17.446 -5.975 0.238 376 HG3 LYS 45 HG3 LYS 45 -18.131 -6.116 -1.377 377 HD2 LYS 45 HD2 LYS 45 -17.722 -8.583 -1.303 378 HD3 LYS 45 HD3 LYS 45 -17.007 -8.373 0.317 379 HE2 LYS 45 HE2 LYS 45 -19.241 -7.157 0.907 380 HE3 LYS 45 HE3 LYS 45 -19.884 -7.928 -0.556 381 HZ1 LYS 45 HZ1 LYS 45 -19.210 -10.072 0.443 382 HZ2 LYS 45 HZ2 LYS 45 -20.320 -9.238 1.353 383 HZ3 LYS 45 HZ3 LYS 45 -18.756 -9.271 1.823 384 H LEU 46 HN LEU 46 -12.877 -4.634 0.110 385 HA LEU 46 HA LEU 46 -12.042 -7.006 1.674 386 HB2 LEU 46 HB2 LEU 46 -10.720 -4.505 0.552 387 HB3 LEU 46 HB3 LEU 46 -9.892 -5.459 1.775 388 HG LEU 46 HG LEU 46 -10.960 -6.795 -0.750 389 HD11 LEU 46 HD11 LEU 46 -8.339 -5.312 -0.343 390 HD12 LEU 46 HD12 LEU 46 -9.560 -5.049 -1.590 391 HD13 LEU 46 HD13 LEU 46 -8.575 -6.519 -1.623 392 HD21 LEU 46 HD21 LEU 46 -8.724 -7.483 1.218 393 HD22 LEU 46 HD22 LEU 46 -9.133 -8.403 -0.238 394 HD23 LEU 46 HD23 LEU 46 -10.304 -8.298 1.077 395 H SER 47 HN SER 47 -10.959 -6.598 3.848 396 HA SER 47 HA SER 47 -12.480 -4.834 5.565 397 HB2 SER 47 HB2 SER 47 -9.857 -6.266 6.113 398 HB3 SER 47 HB3 SER 47 -11.042 -5.741 7.286 399 HG SER 47 HG SER 47 -11.773 -7.685 7.089 400 H GLU 48 HN GLU 48 -11.541 -3.033 6.801 401 HA GLU 48 HA GLU 48 -9.892 -1.193 5.358 402 HB2 GLU 48 HB2 GLU 48 -10.332 -1.407 8.371 403 HB3 GLU 48 HB3 GLU 48 -9.739 0.004 7.496 404 HG2 GLU 48 HG2 GLU 48 -11.855 0.359 6.426 405 HG3 GLU 48 HG3 GLU 48 -12.502 -1.172 7.032 406 H VAL 49 HN VAL 49 -9.198 -3.624 7.872 407 HA VAL 49 HA VAL 49 -6.447 -3.007 8.215 408 HB VAL 49 HB VAL 49 -8.017 -5.590 8.612 409 HG11 VAL 49 HG11 VAL 49 -6.145 -6.318 10.101 410 HG12 VAL 49 HG12 VAL 49 -5.695 -6.246 8.399 411 HG13 VAL 49 HG13 VAL 49 -5.161 -4.952 9.495 412 HG21 VAL 49 HG21 VAL 49 -7.099 -3.363 10.496 413 HG22 VAL 49 HG22 VAL 49 -8.761 -3.771 10.047 414 HG23 VAL 49 HG23 VAL 49 -7.837 -4.898 11.030 415 H GLN 50 HN GLN 50 -8.047 -5.005 5.708 416 HA GLN 50 HA GLN 50 -5.614 -6.183 4.728 417 HB2 GLN 50 HB2 GLN 50 -8.247 -5.474 3.342 418 HB3 GLN 50 HB3 GLN 50 -7.032 -6.444 2.625 419 HG2 GLN 50 HG2 GLN 50 -8.219 -7.300 5.282 420 HG3 GLN 50 HG3 GLN 50 -9.145 -7.516 3.797 421 HE21 GLN 50 HE21 GLN 50 -8.283 -9.683 5.503 422 HE22 GLN 50 HE22 GLN 50 -7.183 -10.634 4.570 423 H VAL 51 HN VAL 51 -7.446 -3.204 3.849 424 HA VAL 51 HA VAL 51 -5.671 -2.397 1.783 425 HB VAL 51 HB VAL 51 -7.602 -0.754 3.480 426 HG11 VAL 51 HG11 VAL 51 -7.616 0.808 1.543 427 HG12 VAL 51 HG12 VAL 51 -6.026 0.734 2.303 428 HG13 VAL 51 HG13 VAL 51 -6.323 -0.145 0.779 429 HG21 VAL 51 HG21 VAL 51 -7.903 -2.239 0.831 430 HG22 VAL 51 HG22 VAL 51 -8.819 -2.523 2.323 431 HG23 VAL 51 HG23 VAL 51 -9.044 -1.025 1.409 432 H LYS 52 HN LYS 52 -5.767 -1.474 5.298 433 HA LYS 52 HA LYS 52 -3.712 0.405 5.120 434 HB2 LYS 52 HB2 LYS 52 -3.734 0.553 7.379 435 HB3 LYS 52 HB3 LYS 52 -5.276 -0.248 7.122 436 HG2 LYS 52 HG2 LYS 52 -4.028 -2.416 7.434 437 HG3 LYS 52 HG3 LYS 52 -2.636 -1.532 7.998 438 HD2 LYS 52 HD2 LYS 52 -5.230 -0.954 9.373 439 HD3 LYS 52 HD3 LYS 52 -4.566 -2.579 9.596 440 HE2 LYS 52 HE2 LYS 52 -2.488 -1.774 10.452 441 HE3 LYS 52 HE3 LYS 52 -2.880 -0.104 10.018 442 HZ1 LYS 52 HZ1 LYS 52 -4.612 -0.100 11.622 443 HZ2 LYS 52 HZ2 LYS 52 -3.216 -0.557 12.377 444 HZ3 LYS 52 HZ3 LYS 52 -4.347 -1.689 12.017 445 H ILE 53 HN ILE 53 -3.427 -3.109 5.206 446 HA ILE 53 HA ILE 53 -0.584 -3.079 5.737 447 HB ILE 53 HB ILE 53 -2.362 -5.333 4.714 448 HG12 ILE 53 HG12 ILE 53 -1.231 -5.054 7.519 449 HG13 ILE 53 HG13 ILE 53 -2.756 -4.327 7.127 450 HG21 ILE 53 HG21 ILE 53 0.514 -5.282 5.768 451 HG22 ILE 53 HG22 ILE 53 -0.424 -6.779 5.543 452 HG23 ILE 53 HG23 ILE 53 -0.016 -5.792 4.151 453 HD11 ILE 53 HD11 ILE 53 -3.661 -6.543 6.446 454 HD12 ILE 53 HD12 ILE 53 -2.121 -7.295 6.929 455 HD13 ILE 53 HD13 ILE 53 -3.130 -6.484 8.142 456 H TRP 54 HN TRP 54 -2.627 -3.141 2.764 457 HA TRP 54 HA TRP 54 -0.333 -3.726 1.070 458 HB2 TRP 54 HB2 TRP 54 -2.871 -4.019 0.569 459 HB3 TRP 54 HB3 TRP 54 -2.852 -2.309 0.169 460 HD1 TRP 54 HD1 TRP 54 -1.951 -5.713 -1.103 461 HE1 TRP 54 HE1 TRP 54 -1.069 -5.618 -3.499 462 HE3 TRP 54 HE3 TRP 54 -1.433 -0.615 -1.560 463 HZ2 TRP 54 HZ2 TRP 54 -0.265 -3.539 -5.399 464 HZ3 TRP 54 HZ3 TRP 54 -0.652 0.372 -3.695 465 HH2 TRP 54 HH2 TRP 54 0.013 -1.094 -5.563 466 H PHE 55 HN PHE 55 -2.130 -0.684 1.828 467 HA PHE 55 HA PHE 55 -0.508 1.079 0.383 468 HB2 PHE 55 HB2 PHE 55 -2.234 1.365 2.841 469 HB3 PHE 55 HB3 PHE 55 -1.161 2.681 2.415 470 HD1 PHE 55 HD2 PHE 55 -3.907 0.556 0.962 471 HD2 PHE 55 HD1 PHE 55 -1.739 4.295 0.780 472 HE1 PHE 55 HE2 PHE 55 -5.583 1.479 -0.613 473 HE2 PHE 55 HE1 PHE 55 -3.438 5.168 -0.801 474 HZ PHE 55 HZ PHE 55 -5.346 3.771 -1.505 475 H GLN 56 HN GLN 56 0.070 -0.107 3.759 476 HA GLN 56 HA GLN 56 2.335 1.630 4.123 477 HB2 GLN 56 HB2 GLN 56 2.909 0.305 6.012 478 HB3 GLN 56 HB3 GLN 56 1.136 0.573 6.039 479 HG2 GLN 56 HG2 GLN 56 0.885 -1.675 5.124 480 HG3 GLN 56 HG3 GLN 56 2.633 -1.931 5.210 481 HE21 GLN 56 HE21 GLN 56 -0.289 -1.331 7.160 482 HE22 GLN 56 HE22 GLN 56 0.349 -2.137 8.579 483 H ASN 57 HN ASN 57 1.987 -1.549 2.664 484 HA ASN 57 HA ASN 57 4.835 -2.132 2.699 485 HB2 ASN 57 HB2 ASN 57 2.310 -3.495 1.713 486 HB3 ASN 57 HB3 ASN 57 3.831 -3.936 0.991 487 HD21 ASN 57 HD21 ASN 57 1.975 -4.061 4.067 488 HD22 ASN 57 HD22 ASN 57 3.170 -5.070 4.870 489 H GLU 58 HN GLU 58 2.576 -0.521 0.627 490 HA GLU 58 HA GLU 58 4.293 -0.425 -1.750 491 HB2 GLU 58 HB2 GLU 58 1.723 -0.407 -1.627 492 HB3 GLU 58 HB3 GLU 58 1.827 1.240 -1.037 493 HG2 GLU 58 HG2 GLU 58 1.433 1.447 -3.356 494 HG3 GLU 58 HG3 GLU 58 3.137 1.824 -3.143 495 H ARG 59 HN ARG 59 3.215 2.019 0.794 496 HA ARG 59 HA ARG 59 4.786 4.078 -0.199 497 HB2 ARG 59 HB2 ARG 59 4.540 5.151 1.792 498 HB3 ARG 59 HB3 ARG 59 3.036 4.286 1.557 499 HG2 ARG 59 HG2 ARG 59 3.919 2.575 3.162 500 HG3 ARG 59 HG3 ARG 59 5.309 3.618 3.476 501 HD2 ARG 59 HD2 ARG 59 3.717 5.416 4.203 502 HD3 ARG 59 HD3 ARG 59 2.386 4.253 4.057 503 HE ARG 59 HE ARG 59 4.584 3.249 5.660 504 HH11 ARG 59 HH11 ARG 59 1.807 5.465 5.915 505 HH12 ARG 59 HH12 ARG 59 1.664 5.299 7.617 506 HH21 ARG 59 HH21 ARG 59 4.389 3.041 7.949 507 HH22 ARG 59 HH22 ARG 59 3.216 3.927 8.820 508 H ALA 60 HN ALA 60 5.628 1.496 1.874 509 HA ALA 60 HA ALA 60 8.384 2.164 2.379 510 HB1 ALA 60 HB1 ALA 60 7.219 0.512 3.746 511 HB2 ALA 60 HB2 ALA 60 7.021 -0.563 2.344 512 HB3 ALA 60 HB3 ALA 60 8.647 -0.198 2.959 513 H LYS 61 HN LYS 61 6.939 -0.133 -0.088 514 HA LYS 61 HA LYS 61 9.486 -0.855 -1.104 515 HB2 LYS 61 HB2 LYS 61 8.526 -2.018 -2.797 516 HB3 LYS 61 HB3 LYS 61 7.401 -2.133 -1.472 517 HG2 LYS 61 HG2 LYS 61 6.050 -1.869 -3.253 518 HG3 LYS 61 HG3 LYS 61 6.113 -0.214 -2.663 519 HD2 LYS 61 HD2 LYS 61 7.745 0.355 -4.392 520 HD3 LYS 61 HD3 LYS 61 7.712 -1.294 -4.992 521 HE2 LYS 61 HE2 LYS 61 5.450 0.748 -4.976 522 HE3 LYS 61 HE3 LYS 61 6.491 0.358 -6.363 523 HZ1 LYS 61 HZ1 LYS 61 4.449 -0.788 -6.566 524 HZ2 LYS 61 HZ2 LYS 61 4.512 -1.385 -5.070 525 HZ3 LYS 61 HZ3 LYS 61 5.603 -1.936 -6.216 526 H TRP 62 HN TRP 62 7.463 1.907 -1.804 527 HA TRP 62 HA TRP 62 9.177 2.719 -4.031 528 HB2 TRP 62 HB2 TRP 62 6.600 3.087 -3.657 529 HB3 TRP 62 HB3 TRP 62 7.118 4.482 -2.724 530 HD1 TRP 62 HD1 TRP 62 6.536 3.231 -6.199 531 HE1 TRP 62 HE1 TRP 62 7.088 5.021 -7.958 532 HE3 TRP 62 HE3 TRP 62 9.155 6.413 -3.263 533 HZ2 TRP 62 HZ2 TRP 62 8.525 7.526 -8.065 534 HZ3 TRP 62 HZ3 TRP 62 10.373 8.363 -4.276 535 HH2 TRP 62 HH2 TRP 62 9.942 8.992 -6.641 536 H LYS 63 HN LYS 63 8.615 3.853 -0.589 537 HA LYS 63 HA LYS 63 10.510 5.989 -0.709 538 HB2 LYS 63 HB2 LYS 63 9.445 4.258 1.575 539 HB3 LYS 63 HB3 LYS 63 10.790 5.342 1.828 540 HG2 LYS 63 HG2 LYS 63 9.012 7.057 0.561 541 HG3 LYS 63 HG3 LYS 63 7.940 6.012 1.492 542 HD2 LYS 63 HD2 LYS 63 8.481 7.826 2.946 543 HD3 LYS 63 HD3 LYS 63 9.459 6.464 3.511 544 HE2 LYS 63 HE2 LYS 63 11.301 7.432 1.906 545 HE3 LYS 63 HE3 LYS 63 10.296 8.889 1.864 546 HZ1 LYS 63 HZ1 LYS 63 11.986 9.084 3.550 547 HZ2 LYS 63 HZ2 LYS 63 11.567 7.690 4.258 548 HZ3 LYS 63 HZ3 LYS 63 10.541 8.964 4.324 549 H ARG 64 HN ARG 64 11.121 2.508 -0.233 550 HA ARG 64 HA ARG 64 13.820 2.922 0.560 551 HB2 ARG 64 HB2 ARG 64 14.017 0.700 0.659 552 HB3 ARG 64 HB3 ARG 64 12.247 0.822 0.617 553 HG2 ARG 64 HG2 ARG 64 12.433 0.622 -1.890 554 HG3 ARG 64 HG3 ARG 64 14.140 0.204 -1.635 555 HD2 ARG 64 HD2 ARG 64 13.308 -1.619 -0.037 556 HD3 ARG 64 HD3 ARG 64 11.689 -1.315 -0.687 557 HE ARG 64 HE ARG 64 13.858 -1.794 -2.631 558 HH11 ARG 64 HH11 ARG 64 11.148 -3.296 -0.794 559 HH12 ARG 64 HH12 ARG 64 11.092 -4.660 -1.907 560 HH21 ARG 64 HH21 ARG 64 13.798 -3.753 -3.885 561 HH22 ARG 64 HH22 ARG 64 12.535 -4.919 -3.557 562 H ILE 65 HN ILE 65 12.428 3.195 -2.512 563 HA ILE 65 HA ILE 65 14.790 2.676 -4.101 564 HB ILE 65 HB ILE 65 12.279 4.253 -4.821 565 HG12 ILE 65 HG12 ILE 65 12.986 1.317 -5.326 566 HG13 ILE 65 HG13 ILE 65 11.857 1.920 -4.113 567 HG21 ILE 65 HG21 ILE 65 13.931 4.882 -6.380 568 HG22 ILE 65 HG22 ILE 65 14.551 3.213 -6.545 569 HG23 ILE 65 HG23 ILE 65 12.974 3.669 -7.188 570 HD11 ILE 65 HD11 ILE 65 10.473 2.925 -5.991 571 HD12 ILE 65 HD12 ILE 65 11.492 1.991 -7.118 572 HD13 ILE 65 HD13 ILE 65 10.523 1.152 -5.905 573 H LYS 66 HN LYS 66 13.662 5.414 -2.326 574 HA LYS 66 HA LYS 66 14.901 7.575 -3.641 575 HB2 LYS 66 HB2 LYS 66 14.040 7.139 -0.768 576 HB3 LYS 66 HB3 LYS 66 14.760 8.635 -1.340 577 HG2 LYS 66 HG2 LYS 66 12.527 7.809 -3.045 578 HG3 LYS 66 HG3 LYS 66 12.023 7.896 -1.363 579 HD2 LYS 66 HD2 LYS 66 13.476 10.181 -2.768 580 HD3 LYS 66 HD3 LYS 66 11.732 9.990 -2.769 581 HE2 LYS 66 HE2 LYS 66 12.177 11.552 -1.091 582 HE3 LYS 66 HE3 LYS 66 11.728 10.068 -0.248 583 HZ1 LYS 66 HZ1 LYS 66 13.717 11.364 0.617 584 HZ2 LYS 66 HZ2 LYS 66 14.520 10.943 -0.705 585 HZ3 LYS 66 HZ3 LYS 66 14.055 9.764 0.330 586 H ALA 67 HN ALA 67 16.797 6.715 -4.205 587 HA ALA 67 HA ALA 67 18.987 5.809 -2.846 588 HB1 ALA 67 HB1 ALA 67 19.077 7.840 -5.121 589 HB2 ALA 67 HB2 ALA 67 20.399 6.766 -4.631 590 HB3 ALA 67 HB3 ALA 67 18.906 6.080 -5.304 591 H GLY 68 HN GLY 68 18.128 9.213 -3.147 592 HA2 GLY 68 HA1 GLY 68 18.837 11.101 -1.895 593 HA3 GLY 68 HA2 GLY 68 19.614 10.007 -0.722 594 H ASN 69 HN ASN 69 21.589 11.286 -0.756 595 HA ASN 69 HA ASN 69 23.426 10.230 -2.723 596 HB2 ASN 69 HB2 ASN 69 22.576 12.429 -3.798 597 HB3 ASN 69 HB3 ASN 69 23.377 13.240 -2.443 598 HD21 ASN 69 HD21 ASN 69 24.075 10.694 -4.987 599 HD22 ASN 69 HD22 ASN 69 25.680 11.341 -5.314 600 H VAL 70 HN VAL 70 22.985 9.685 -0.113 601 HA VAL 70 HA VAL 70 25.034 10.987 1.546 602 HB VAL 70 HB VAL 70 22.802 10.015 2.327 603 HG11 VAL 70 HG11 VAL 70 24.182 7.337 2.035 604 HG12 VAL 70 HG12 VAL 70 22.617 7.646 2.784 605 HG13 VAL 70 HG13 VAL 70 22.847 7.909 1.038 606 HG21 VAL 70 HG21 VAL 70 23.676 9.187 4.440 607 HG22 VAL 70 HG22 VAL 70 25.301 9.048 3.740 608 HG23 VAL 70 HG23 VAL 70 24.539 10.640 3.905 609 H SER 71 HN SER 71 24.993 8.924 -1.050 610 HA SER 71 HA SER 71 27.380 7.315 -0.479 611 HB2 SER 71 HB2 SER 71 27.181 6.847 -2.921 612 HB3 SER 71 HB3 SER 71 25.699 6.381 -2.036 613 HG SER 71 HG SER 71 26.051 8.954 -3.091 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -0.131 -1.871 21.565 2 HA2 GLY 1 HA1 GLY 1 -1.530 -2.993 19.842 3 HA3 GLY 1 HA2 GLY 1 0.204 -3.406 19.734 4 H ALA 2 HN ALA 2 -1.270 -5.234 18.553 5 HA ALA 2 HA ALA 2 -1.237 -7.579 20.332 6 HB1 ALA 2 HB1 ALA 2 -3.379 -8.317 19.347 7 HB2 ALA 2 HB2 ALA 2 -3.602 -6.729 20.058 8 HB3 ALA 2 HB3 ALA 2 -3.430 -6.898 18.300 9 HA PRO 3 HA PRO 3 1.158 -9.130 16.976 10 HB2 PRO 3 HB2 PRO 3 0.460 -11.760 16.583 11 HB3 PRO 3 HB3 PRO 3 1.280 -11.162 18.048 12 HG2 PRO 3 HG2 PRO 3 -1.686 -11.638 17.660 13 HG3 PRO 3 HG3 PRO 3 -0.642 -12.188 19.010 14 HD2 PRO 3 HD2 PRO 3 -2.165 -9.967 19.185 15 HD3 PRO 3 HD3 PRO 3 -0.546 -10.012 19.936 16 H GLY 4 HN GLY 4 0.981 -10.533 14.760 17 HA2 GLY 4 HA1 GLY 4 -1.452 -10.115 13.200 18 HA3 GLY 4 HA2 GLY 4 -0.159 -9.002 12.786 19 H GLY 5 HN GLY 5 2.100 -10.871 13.170 20 HA2 GLY 5 HA1 GLY 5 2.909 -12.971 12.524 21 HA3 GLY 5 HA2 GLY 5 1.435 -13.284 11.603 22 H LYS 6 HN LYS 6 1.119 -11.543 9.691 23 HA LYS 6 HA LYS 6 3.677 -11.408 8.181 24 HB2 LYS 6 HB2 LYS 6 0.815 -10.652 7.549 25 HB3 LYS 6 HB3 LYS 6 2.131 -9.834 6.723 26 HG2 LYS 6 HG2 LYS 6 1.788 -11.485 5.230 27 HG3 LYS 6 HG3 LYS 6 3.056 -12.222 6.194 28 HD2 LYS 6 HD2 LYS 6 1.259 -13.484 7.465 29 HD3 LYS 6 HD3 LYS 6 0.077 -12.760 6.353 30 HE2 LYS 6 HE2 LYS 6 1.771 -13.717 4.502 31 HE3 LYS 6 HE3 LYS 6 2.257 -14.787 5.819 32 HZ1 LYS 6 HZ1 LYS 6 -0.408 -14.559 4.581 33 HZ2 LYS 6 HZ2 LYS 6 -0.161 -15.383 5.977 34 HZ3 LYS 6 HZ3 LYS 6 0.594 -15.849 4.559 35 H SER 7 HN SER 7 4.826 -9.556 7.861 36 HA SER 7 HA SER 7 3.794 -6.995 8.824 37 HB2 SER 7 HB2 SER 7 6.317 -8.245 9.926 38 HB3 SER 7 HB3 SER 7 6.125 -6.482 9.802 39 HG SER 7 HG SER 7 4.716 -8.338 11.417 40 H ARG 8 HN ARG 8 7.156 -7.941 7.694 41 HA ARG 8 HA ARG 8 6.624 -6.081 5.409 42 HB2 ARG 8 HB2 ARG 8 8.609 -4.888 5.915 43 HB3 ARG 8 HB3 ARG 8 7.533 -4.842 7.296 44 HG2 ARG 8 HG2 ARG 8 8.951 -6.068 8.660 45 HG3 ARG 8 HG3 ARG 8 9.609 -7.026 7.328 46 HD2 ARG 8 HD2 ARG 8 10.811 -5.024 6.482 47 HD3 ARG 8 HD3 ARG 8 10.258 -4.113 7.909 48 HE ARG 8 HE ARG 8 11.488 -6.489 8.809 49 HH11 ARG 8 HH11 ARG 8 12.411 -3.486 7.144 50 HH12 ARG 8 HH12 ARG 8 13.931 -3.362 7.985 51 HH21 ARG 8 HH21 ARG 8 13.643 -6.570 9.511 52 HH22 ARG 8 HH22 ARG 8 14.799 -5.383 9.062 53 H ARG 9 HN ARG 9 6.671 -8.826 4.911 54 HA ARG 9 HA ARG 9 9.390 -9.460 3.942 55 HB2 ARG 9 HB2 ARG 9 6.756 -10.952 3.704 56 HB3 ARG 9 HB3 ARG 9 8.204 -11.397 2.794 57 HG2 ARG 9 HG2 ARG 9 9.469 -11.457 5.010 58 HG3 ARG 9 HG3 ARG 9 7.903 -11.355 5.825 59 HD2 ARG 9 HD2 ARG 9 8.833 -13.498 3.871 60 HD3 ARG 9 HD3 ARG 9 8.729 -13.687 5.605 61 HE ARG 9 HE ARG 9 6.450 -13.334 3.704 62 HH11 ARG 9 HH11 ARG 9 7.551 -14.678 6.849 63 HH12 ARG 9 HH12 ARG 9 6.234 -15.804 6.922 64 HH21 ARG 9 HH21 ARG 9 4.567 -14.537 4.064 65 HH22 ARG 9 HH22 ARG 9 4.543 -15.734 5.332 66 H ARG 10 HN ARG 10 6.230 -9.193 2.124 67 HA ARG 10 HA ARG 10 7.525 -7.505 0.145 68 HB2 ARG 10 HB2 ARG 10 8.080 -10.204 -0.158 69 HB3 ARG 10 HB3 ARG 10 6.545 -10.118 -0.999 70 HG2 ARG 10 HG2 ARG 10 7.732 -7.995 -2.173 71 HG3 ARG 10 HG3 ARG 10 9.200 -8.800 -1.641 72 HD2 ARG 10 HD2 ARG 10 6.985 -10.031 -3.316 73 HD3 ARG 10 HD3 ARG 10 8.480 -9.367 -3.986 74 HE ARG 10 HE ARG 10 9.387 -11.248 -2.234 75 HH11 ARG 10 HH11 ARG 10 7.073 -11.353 -4.973 76 HH12 ARG 10 HH12 ARG 10 7.687 -12.856 -5.568 77 HH21 ARG 10 HH21 ARG 10 9.756 -13.486 -2.757 78 HH22 ARG 10 HH22 ARG 10 9.101 -14.176 -4.195 79 H ARG 11 HN ARG 11 5.909 -7.640 -1.932 80 HA ARG 11 HA ARG 11 3.305 -6.785 -1.292 81 HB2 ARG 11 HB2 ARG 11 3.999 -8.310 -3.829 82 HB3 ARG 11 HB3 ARG 11 2.729 -7.129 -3.580 83 HG2 ARG 11 HG2 ARG 11 4.144 -5.868 -4.774 84 HG3 ARG 11 HG3 ARG 11 4.729 -5.447 -3.165 85 HD2 ARG 11 HD2 ARG 11 6.769 -6.304 -3.581 86 HD3 ARG 11 HD3 ARG 11 6.105 -7.816 -4.195 87 HE ARG 11 HE ARG 11 6.316 -5.321 -5.819 88 HH11 ARG 11 HH11 ARG 11 6.563 -8.869 -5.764 89 HH12 ARG 11 HH12 ARG 11 7.768 -8.965 -6.989 90 HH21 ARG 11 HH21 ARG 11 7.714 -5.473 -7.700 91 HH22 ARG 11 HH22 ARG 11 8.437 -6.999 -8.053 92 H THR 12 HN THR 12 1.277 -8.008 -2.057 93 HA THR 12 HA THR 12 1.349 -10.904 -1.506 94 HB THR 12 HB THR 12 -0.711 -9.043 -0.414 95 HG1 THR 12 HG1 THR 12 1.094 -8.743 0.812 96 HG21 THR 12 HG21 THR 12 -1.728 -11.216 -0.593 97 HG22 THR 12 HG22 THR 12 -1.251 -11.047 1.083 98 HG23 THR 12 HG23 THR 12 -0.254 -12.030 -0.002 99 H ALA 13 HN ALA 13 -0.851 -11.836 -2.308 100 HA ALA 13 HA ALA 13 -1.263 -11.147 -5.067 101 HB1 ALA 13 HB1 ALA 13 -3.185 -12.753 -4.816 102 HB2 ALA 13 HB2 ALA 13 -1.601 -13.391 -4.377 103 HB3 ALA 13 HB3 ALA 13 -2.769 -12.921 -3.102 104 H PHE 14 HN PHE 14 -1.861 -9.158 -5.330 105 HA PHE 14 HA PHE 14 -4.655 -8.299 -4.762 106 HB2 PHE 14 HB2 PHE 14 -2.018 -6.806 -4.983 107 HB3 PHE 14 HB3 PHE 14 -3.456 -6.008 -5.536 108 HD1 PHE 14 HD1 PHE 14 -2.562 -8.036 -2.420 109 HD2 PHE 14 HD2 PHE 14 -4.408 -4.525 -4.089 110 HE1 PHE 14 HE1 PHE 14 -2.803 -7.126 -0.179 111 HE2 PHE 14 HE2 PHE 14 -4.807 -3.681 -1.798 112 HZ PHE 14 HZ PHE 14 -3.976 -4.945 0.156 113 H THR 15 HN THR 15 -5.686 -7.583 -6.794 114 HA THR 15 HA THR 15 -4.413 -8.749 -9.227 115 HB THR 15 HB THR 15 -6.637 -8.584 -10.278 116 HG1 THR 15 HG1 THR 15 -8.473 -8.457 -9.066 117 HG21 THR 15 HG21 THR 15 -7.551 -10.680 -9.304 118 HG22 THR 15 HG22 THR 15 -6.629 -10.404 -7.810 119 HG23 THR 15 HG23 THR 15 -5.773 -10.784 -9.327 120 H SER 16 HN SER 16 -4.823 -7.433 -11.236 121 HA SER 16 HA SER 16 -3.538 -5.043 -10.770 122 HB2 SER 16 HB2 SER 16 -3.617 -4.749 -13.050 123 HB3 SER 16 HB3 SER 16 -3.643 -6.523 -12.746 124 HG SER 16 HG SER 16 -5.814 -6.569 -13.204 125 H GLU 17 HN GLU 17 -6.983 -5.580 -11.039 126 HA GLU 17 HA GLU 17 -8.029 -2.957 -11.178 127 HB2 GLU 17 HB2 GLU 17 -9.036 -5.312 -9.510 128 HB3 GLU 17 HB3 GLU 17 -9.955 -3.901 -10.069 129 HG2 GLU 17 HG2 GLU 17 -9.445 -4.754 -12.455 130 HG3 GLU 17 HG3 GLU 17 -9.007 -6.283 -11.664 131 H GLN 18 HN GLN 18 -7.047 -4.962 -8.349 132 HA GLN 18 HA GLN 18 -7.770 -2.981 -6.408 133 HB2 GLN 18 HB2 GLN 18 -5.917 -5.366 -6.037 134 HB3 GLN 18 HB3 GLN 18 -6.930 -4.573 -4.822 135 HG2 GLN 18 HG2 GLN 18 -8.980 -5.412 -6.087 136 HG3 GLN 18 HG3 GLN 18 -7.900 -6.254 -7.181 137 HE21 GLN 18 HE21 GLN 18 -9.714 -6.687 -4.267 138 HE22 GLN 18 HE22 GLN 18 -8.967 -8.182 -3.872 139 H LEU 19 HN LEU 19 -4.778 -3.909 -8.213 140 HA LEU 19 HA LEU 19 -3.066 -2.248 -6.584 141 HB2 LEU 19 HB2 LEU 19 -2.733 -3.363 -9.395 142 HB3 LEU 19 HB3 LEU 19 -1.576 -2.291 -8.629 143 HG LEU 19 HG LEU 19 -1.612 -4.093 -6.650 144 HD11 LEU 19 HD11 LEU 19 -2.435 -5.762 -8.997 145 HD12 LEU 19 HD12 LEU 19 -3.298 -5.398 -7.480 146 HD13 LEU 19 HD13 LEU 19 -1.798 -6.338 -7.440 147 HD21 LEU 19 HD21 LEU 19 0.249 -5.302 -7.747 148 HD22 LEU 19 HD22 LEU 19 0.401 -3.594 -8.203 149 HD23 LEU 19 HD23 LEU 19 -0.293 -4.750 -9.348 150 H LEU 20 HN LEU 20 -5.510 -1.529 -8.999 151 HA LEU 20 HA LEU 20 -4.189 0.853 -10.013 152 HB2 LEU 20 HB2 LEU 20 -6.426 -0.841 -10.737 153 HB3 LEU 20 HB3 LEU 20 -7.019 0.793 -10.541 154 HG LEU 20 HG LEU 20 -4.597 0.005 -12.236 155 HD11 LEU 20 HD11 LEU 20 -6.598 -1.117 -13.088 156 HD12 LEU 20 HD12 LEU 20 -6.078 0.158 -14.201 157 HD13 LEU 20 HD13 LEU 20 -7.475 0.424 -13.136 158 HD21 LEU 20 HD21 LEU 20 -4.585 2.378 -11.620 159 HD22 LEU 20 HD22 LEU 20 -6.255 2.558 -12.170 160 HD23 LEU 20 HD23 LEU 20 -4.962 2.203 -13.339 161 H GLU 21 HN GLU 21 -7.059 0.162 -7.973 162 HA GLU 21 HA GLU 21 -7.665 2.883 -7.422 163 HB2 GLU 21 HB2 GLU 21 -8.212 0.571 -5.526 164 HB3 GLU 21 HB3 GLU 21 -9.123 2.075 -5.688 165 HG2 GLU 21 HG2 GLU 21 -9.023 -0.277 -7.606 166 HG3 GLU 21 HG3 GLU 21 -10.414 0.333 -6.714 167 H LEU 22 HN LEU 22 -5.467 0.655 -5.997 168 HA LEU 22 HA LEU 22 -4.730 2.146 -3.588 169 HB2 LEU 22 HB2 LEU 22 -3.609 -0.106 -5.249 170 HB3 LEU 22 HB3 LEU 22 -2.497 0.746 -4.207 171 HG LEU 22 HG LEU 22 -3.371 0.005 -2.249 172 HD11 LEU 22 HD11 LEU 22 -5.621 -1.063 -1.960 173 HD12 LEU 22 HD12 LEU 22 -5.993 -0.621 -3.643 174 HD13 LEU 22 HD13 LEU 22 -5.726 0.637 -2.433 175 HD21 LEU 22 HD21 LEU 22 -3.209 -2.260 -2.455 176 HD22 LEU 22 HD22 LEU 22 -2.685 -1.834 -4.086 177 HD23 LEU 22 HD23 LEU 22 -4.340 -2.343 -3.841 178 H ARG 23 HN ARG 23 -3.727 2.292 -6.993 179 HA ARG 23 HA ARG 23 -1.427 3.976 -6.307 180 HB2 ARG 23 HB2 ARG 23 -2.580 2.912 -8.910 181 HB3 ARG 23 HB3 ARG 23 -1.281 4.103 -8.884 182 HG2 ARG 23 HG2 ARG 23 0.164 2.551 -7.581 183 HG3 ARG 23 HG3 ARG 23 -1.172 1.449 -7.400 184 HD2 ARG 23 HD2 ARG 23 0.198 0.532 -9.108 185 HD3 ARG 23 HD3 ARG 23 -1.244 1.151 -9.890 186 HE ARG 23 HE ARG 23 -0.073 2.889 -10.856 187 HH11 ARG 23 HH11 ARG 23 2.138 1.053 -8.763 188 HH12 ARG 23 HH12 ARG 23 3.552 1.368 -9.683 189 HH21 ARG 23 HH21 ARG 23 1.904 3.706 -11.836 190 HH22 ARG 23 HH22 ARG 23 3.441 3.088 -11.328 191 H LYS 24 HN LYS 24 -4.858 4.252 -7.183 192 HA LYS 24 HA LYS 24 -4.760 6.993 -7.920 193 HB2 LYS 24 HB2 LYS 24 -7.075 5.539 -6.594 194 HB3 LYS 24 HB3 LYS 24 -7.145 7.160 -7.223 195 HG2 LYS 24 HG2 LYS 24 -6.778 6.409 -9.502 196 HG3 LYS 24 HG3 LYS 24 -6.538 4.731 -8.948 197 HD2 LYS 24 HD2 LYS 24 -8.871 4.714 -8.072 198 HD3 LYS 24 HD3 LYS 24 -9.118 6.350 -8.682 199 HE2 LYS 24 HE2 LYS 24 -8.829 5.616 -10.987 200 HE3 LYS 24 HE3 LYS 24 -8.237 4.038 -10.450 201 HZ1 LYS 24 HZ1 LYS 24 -10.404 3.551 -9.567 202 HZ2 LYS 24 HZ2 LYS 24 -10.488 3.800 -11.156 203 HZ3 LYS 24 HZ3 LYS 24 -11.030 4.970 -10.110 204 H GLU 25 HN GLU 25 -5.097 5.377 -4.767 205 HA GLU 25 HA GLU 25 -5.102 7.765 -3.157 206 HB2 GLU 25 HB2 GLU 25 -4.689 4.805 -2.689 207 HB3 GLU 25 HB3 GLU 25 -4.310 5.948 -1.405 208 HG2 GLU 25 HG2 GLU 25 -7.036 5.936 -2.737 209 HG3 GLU 25 HG3 GLU 25 -6.621 4.879 -1.372 210 H PHE 26 HN PHE 26 -2.558 6.498 -5.003 211 HA PHE 26 HA PHE 26 -0.485 7.011 -3.001 212 HB2 PHE 26 HB2 PHE 26 -0.468 5.121 -4.653 213 HB3 PHE 26 HB3 PHE 26 -0.133 6.287 -5.918 214 HD1 PHE 26 HD1 PHE 26 2.093 7.436 -6.010 215 HD2 PHE 26 HD2 PHE 26 1.131 4.517 -2.983 216 HE1 PHE 26 HE1 PHE 26 4.490 7.293 -5.382 217 HE2 PHE 26 HE2 PHE 26 3.518 4.378 -2.360 218 HZ PHE 26 HZ PHE 26 5.204 5.786 -3.548 219 H HIS 27 HN HIS 27 -2.141 8.879 -5.427 220 HA HIS 27 HA HIS 27 -0.010 10.586 -6.241 221 HB2 HIS 27 HB2 HIS 27 -3.019 10.715 -6.400 222 HB3 HIS 27 HB3 HIS 27 -2.090 12.174 -6.701 223 HD1 HIS 27 HD1 HIS 27 -1.338 12.483 -9.179 224 HD2 HIS 27 HD2 HIS 27 -1.933 8.462 -7.998 225 HE1 HIS 27 HE1 HIS 27 -0.730 11.055 -11.157 226 H CYS 28 HN CYS 28 -2.522 11.162 -3.642 227 HA CYS 28 HA CYS 28 -0.606 13.076 -2.399 228 HB2 CYS 28 HB2 CYS 28 -2.801 14.575 -2.160 229 HB3 CYS 28 HB3 CYS 28 -1.626 14.781 -3.448 230 HG CYS 28 HG CYS 28 -4.422 14.888 -3.962 231 H LYS 29 HN LYS 29 -0.408 11.249 -0.924 232 HA LYS 29 HA LYS 29 -2.184 11.810 1.266 233 HB2 LYS 29 HB2 LYS 29 -3.317 9.979 -0.189 234 HB3 LYS 29 HB3 LYS 29 -2.124 8.888 0.474 235 HG2 LYS 29 HG2 LYS 29 -3.008 8.998 2.620 236 HG3 LYS 29 HG3 LYS 29 -3.646 10.630 2.416 237 HD2 LYS 29 HD2 LYS 29 -4.754 8.260 0.894 238 HD3 LYS 29 HD3 LYS 29 -5.388 8.737 2.469 239 HE2 LYS 29 HE2 LYS 29 -5.141 10.930 0.405 240 HE3 LYS 29 HE3 LYS 29 -6.311 9.655 0.064 241 HZ1 LYS 29 HZ1 LYS 29 -7.352 9.997 2.126 242 HZ2 LYS 29 HZ2 LYS 29 -7.381 11.367 1.236 243 HZ3 LYS 29 HZ3 LYS 29 -6.343 11.276 2.509 244 H LYS 30 HN LYS 30 -0.795 12.138 2.845 245 HA LYS 30 HA LYS 30 1.775 11.050 3.018 246 HB2 LYS 30 HB2 LYS 30 1.796 11.778 5.342 247 HB3 LYS 30 HB3 LYS 30 1.385 13.033 4.197 248 HG2 LYS 30 HG2 LYS 30 -0.792 11.549 5.684 249 HG3 LYS 30 HG3 LYS 30 0.135 12.833 6.468 250 HD2 LYS 30 HD2 LYS 30 -0.572 14.347 4.540 251 HD3 LYS 30 HD3 LYS 30 -1.746 13.092 4.107 252 HE2 LYS 30 HE2 LYS 30 -2.689 13.159 6.403 253 HE3 LYS 30 HE3 LYS 30 -1.494 14.371 6.863 254 HZ1 LYS 30 HZ1 LYS 30 -3.714 14.787 4.952 255 HZ2 LYS 30 HZ2 LYS 30 -2.516 15.889 5.258 256 HZ3 LYS 30 HZ3 LYS 30 -3.554 15.414 6.429 257 H TYR 31 HN TYR 31 -1.224 9.822 4.559 258 HA TYR 31 HA TYR 31 -0.373 7.105 4.614 259 HB2 TYR 31 HB2 TYR 31 -0.610 6.881 7.121 260 HB3 TYR 31 HB3 TYR 31 0.879 7.608 6.585 261 HD1 TYR 31 HD2 TYR 31 -2.444 8.332 8.132 262 HD2 TYR 31 HD1 TYR 31 1.509 9.820 7.278 263 HE1 TYR 31 HE2 TYR 31 -2.864 10.270 9.593 264 HE2 TYR 31 HE1 TYR 31 1.060 11.808 8.751 265 HH TYR 31 HH TYR 31 -1.348 11.906 10.939 266 H LEU 32 HN LEU 32 -2.263 5.789 5.303 267 HA LEU 32 HA LEU 32 -4.808 7.308 5.230 268 HB2 LEU 32 HB2 LEU 32 -4.052 4.396 4.943 269 HB3 LEU 32 HB3 LEU 32 -5.685 4.838 5.405 270 HG LEU 32 HG LEU 32 -5.803 6.395 3.424 271 HD11 LEU 32 HD11 LEU 32 -3.456 6.710 2.858 272 HD12 LEU 32 HD12 LEU 32 -4.302 5.967 1.512 273 HD13 LEU 32 HD13 LEU 32 -3.256 4.974 2.537 274 HD21 LEU 32 HD21 LEU 32 -5.424 3.408 2.923 275 HD22 LEU 32 HD22 LEU 32 -6.128 4.569 1.773 276 HD23 LEU 32 HD23 LEU 32 -6.921 4.285 3.309 277 H SER 33 HN SER 33 -6.304 7.435 6.860 278 HA SER 33 HA SER 33 -5.459 6.946 9.608 279 HB2 SER 33 HB2 SER 33 -8.215 7.866 8.852 280 HB3 SER 33 HB3 SER 33 -7.191 8.379 10.185 281 HG SER 33 HG SER 33 -6.071 9.705 8.896 282 H LEU 34 HN LEU 34 -7.525 6.037 11.033 283 HA LEU 34 HA LEU 34 -7.677 3.270 10.387 284 HB2 LEU 34 HB2 LEU 34 -8.774 5.148 12.481 285 HB3 LEU 34 HB3 LEU 34 -9.541 3.587 12.308 286 HG LEU 34 HG LEU 34 -7.760 3.788 14.051 287 HD11 LEU 34 HD11 LEU 34 -7.381 1.580 11.978 288 HD12 LEU 34 HD12 LEU 34 -8.539 1.576 13.323 289 HD13 LEU 34 HD13 LEU 34 -6.817 1.524 13.664 290 HD21 LEU 34 HD21 LEU 34 -5.777 3.605 11.764 291 HD22 LEU 34 HD22 LEU 34 -5.434 3.472 13.509 292 HD23 LEU 34 HD23 LEU 34 -6.031 4.993 12.847 293 H THR 35 HN THR 35 -10.019 5.976 9.900 294 HA THR 35 HA THR 35 -12.111 4.226 8.902 295 HB THR 35 HB THR 35 -11.531 7.147 8.255 296 HG1 THR 35 HG1 THR 35 -13.368 7.425 9.737 297 HG21 THR 35 HG21 THR 35 -13.934 7.241 7.589 298 HG22 THR 35 HG22 THR 35 -14.108 5.508 7.945 299 HG23 THR 35 HG23 THR 35 -13.074 6.065 6.620 300 H GLU 36 HN GLU 36 -9.663 6.303 7.273 301 HA GLU 36 HA GLU 36 -10.389 5.794 4.734 302 HB2 GLU 36 HB2 GLU 36 -7.457 6.067 5.438 303 HB3 GLU 36 HB3 GLU 36 -8.308 6.585 4.000 304 HG2 GLU 36 HG2 GLU 36 -8.519 7.765 6.781 305 HG3 GLU 36 HG3 GLU 36 -7.636 8.463 5.437 306 H ARG 37 HN ARG 37 -7.876 3.998 6.484 307 HA ARG 37 HA ARG 37 -7.299 2.208 4.333 308 HB2 ARG 37 HB2 ARG 37 -6.194 2.705 6.809 309 HB3 ARG 37 HB3 ARG 37 -6.937 1.127 7.093 310 HG2 ARG 37 HG2 ARG 37 -5.740 0.357 4.933 311 HG3 ARG 37 HG3 ARG 37 -4.907 1.910 4.958 312 HD2 ARG 37 HD2 ARG 37 -4.509 -0.510 6.605 313 HD3 ARG 37 HD3 ARG 37 -3.317 0.667 6.037 314 HE ARG 37 HE ARG 37 -4.819 0.565 8.536 315 HH11 ARG 37 HH11 ARG 37 -2.887 2.817 6.518 316 HH12 ARG 37 HH12 ARG 37 -2.877 4.052 7.743 317 HH21 ARG 37 HH21 ARG 37 -4.636 2.111 10.105 318 HH22 ARG 37 HH22 ARG 37 -3.905 3.665 9.842 319 H SER 38 HN SER 38 -9.857 2.118 6.725 320 HA SER 38 HA SER 38 -10.660 -0.613 6.233 321 HB2 SER 38 HB2 SER 38 -11.212 0.994 8.241 322 HB3 SER 38 HB3 SER 38 -12.523 1.567 7.200 323 HG SER 38 HG SER 38 -12.005 -1.091 8.100 324 H GLN 39 HN GLN 39 -11.630 2.634 4.931 325 HA GLN 39 HA GLN 39 -13.688 1.703 3.254 326 HB2 GLN 39 HB2 GLN 39 -11.865 4.133 3.035 327 HB3 GLN 39 HB3 GLN 39 -13.221 3.842 1.943 328 HG2 GLN 39 HG2 GLN 39 -14.806 3.792 3.743 329 HG3 GLN 39 HG3 GLN 39 -13.535 3.932 4.967 330 HE21 GLN 39 HE21 GLN 39 -11.946 5.968 3.648 331 HE22 GLN 39 HE22 GLN 39 -12.752 7.451 3.979 332 H ILE 40 HN ILE 40 -10.230 2.260 2.441 333 HA ILE 40 HA ILE 40 -10.490 1.376 -0.274 334 HB ILE 40 HB ILE 40 -8.022 1.294 1.508 335 HG12 ILE 40 HG12 ILE 40 -8.635 3.527 1.704 336 HG13 ILE 40 HG13 ILE 40 -7.472 3.529 0.400 337 HG21 ILE 40 HG21 ILE 40 -6.758 1.661 -0.616 338 HG22 ILE 40 HG22 ILE 40 -7.609 0.111 -0.586 339 HG23 ILE 40 HG23 ILE 40 -8.266 1.463 -1.527 340 HD11 ILE 40 HD11 ILE 40 -9.341 4.985 -0.119 341 HD12 ILE 40 HD12 ILE 40 -9.318 3.600 -1.237 342 HD13 ILE 40 HD13 ILE 40 -10.485 3.644 0.115 343 H ALA 41 HN ALA 41 -10.297 -0.300 2.627 344 HA ALA 41 HA ALA 41 -9.295 -2.877 1.554 345 HB1 ALA 41 HB1 ALA 41 -9.679 -3.734 3.861 346 HB2 ALA 41 HB2 ALA 41 -8.665 -2.291 3.866 347 HB3 ALA 41 HB3 ALA 41 -10.355 -2.157 4.321 348 H HIS 42 HN HIS 42 -12.378 -1.603 2.883 349 HA HIS 42 HA HIS 42 -13.989 -3.831 2.141 350 HB2 HIS 42 HB2 HIS 42 -14.674 -2.001 3.729 351 HB3 HIS 42 HB3 HIS 42 -14.748 -0.872 2.381 352 HD1 HIS 42 HD1 HIS 42 -16.695 -3.860 3.876 353 HD2 HIS 42 HD2 HIS 42 -16.858 -1.066 0.707 354 HE1 HIS 42 HE1 HIS 42 -18.966 -4.122 2.813 355 H ALA 43 HN ALA 43 -12.933 -0.914 0.372 356 HA ALA 43 HA ALA 43 -14.762 -1.129 -1.808 357 HB1 ALA 43 HB1 ALA 43 -13.418 0.895 -1.334 358 HB2 ALA 43 HB2 ALA 43 -11.938 0.023 -1.773 359 HB3 ALA 43 HB3 ALA 43 -13.177 0.338 -3.001 360 H LEU 44 HN LEU 44 -12.043 -3.096 -0.992 361 HA LEU 44 HA LEU 44 -11.868 -4.282 -3.717 362 HB2 LEU 44 HB2 LEU 44 -9.645 -3.711 -1.722 363 HB3 LEU 44 HB3 LEU 44 -9.456 -4.471 -3.306 364 HG LEU 44 HG LEU 44 -10.409 -1.604 -2.907 365 HD11 LEU 44 HD11 LEU 44 -8.214 -0.949 -3.654 366 HD12 LEU 44 HD12 LEU 44 -7.680 -2.642 -3.767 367 HD13 LEU 44 HD13 LEU 44 -8.076 -1.921 -2.189 368 HD21 LEU 44 HD21 LEU 44 -11.243 -2.493 -4.987 369 HD22 LEU 44 HD22 LEU 44 -9.684 -3.232 -5.376 370 HD23 LEU 44 HD23 LEU 44 -9.863 -1.463 -5.354 371 H LYS 45 HN LYS 45 -13.218 -5.062 -0.920 372 HA LYS 45 HA LYS 45 -13.593 -6.892 0.261 373 HB2 LYS 45 HB2 LYS 45 -13.801 -7.464 -2.343 374 HB3 LYS 45 HB3 LYS 45 -12.547 -8.644 -1.956 375 HG2 LYS 45 HG2 LYS 45 -14.013 -9.573 -0.179 376 HG3 LYS 45 HG3 LYS 45 -15.230 -8.338 -0.551 377 HD2 LYS 45 HD2 LYS 45 -16.065 -9.551 -2.285 378 HD3 LYS 45 HD3 LYS 45 -14.469 -9.737 -3.002 379 HE2 LYS 45 HE2 LYS 45 -15.271 -11.941 -2.576 380 HE3 LYS 45 HE3 LYS 45 -13.982 -11.595 -1.409 381 HZ1 LYS 45 HZ1 LYS 45 -16.897 -11.573 -0.881 382 HZ2 LYS 45 HZ2 LYS 45 -15.787 -11.009 0.186 383 HZ3 LYS 45 HZ3 LYS 45 -15.750 -12.588 -0.230 384 H LEU 46 HN LEU 46 -10.862 -5.815 0.422 385 HA LEU 46 HA LEU 46 -9.180 -8.212 1.077 386 HB2 LEU 46 HB2 LEU 46 -8.597 -5.386 0.258 387 HB3 LEU 46 HB3 LEU 46 -7.404 -6.204 1.233 388 HG LEU 46 HG LEU 46 -8.463 -7.687 -1.187 389 HD11 LEU 46 HD11 LEU 46 -6.594 -5.314 -1.199 390 HD12 LEU 46 HD12 LEU 46 -7.960 -5.659 -2.262 391 HD13 LEU 46 HD13 LEU 46 -6.466 -6.594 -2.440 392 HD21 LEU 46 HD21 LEU 46 -6.201 -8.611 -1.201 393 HD22 LEU 46 HD22 LEU 46 -6.863 -8.743 0.448 394 HD23 LEU 46 HD23 LEU 46 -5.677 -7.473 0.031 395 H SER 47 HN SER 47 -7.841 -8.138 3.011 396 HA SER 47 HA SER 47 -9.216 -7.124 5.372 397 HB2 SER 47 HB2 SER 47 -6.401 -8.199 5.293 398 HB3 SER 47 HB3 SER 47 -7.609 -8.377 6.550 399 HG SER 47 HG SER 47 -8.734 -9.815 5.261 400 H GLU 48 HN GLU 48 -8.342 -5.252 6.765 401 HA GLU 48 HA GLU 48 -7.165 -3.226 5.368 402 HB2 GLU 48 HB2 GLU 48 -8.648 -3.136 7.329 403 HB3 GLU 48 HB3 GLU 48 -7.398 -3.840 8.361 404 HG2 GLU 48 HG2 GLU 48 -6.556 -1.575 6.715 405 HG3 GLU 48 HG3 GLU 48 -7.851 -1.130 7.781 406 H VAL 49 HN VAL 49 -5.661 -5.716 7.431 407 HA VAL 49 HA VAL 49 -3.039 -4.648 7.451 408 HB VAL 49 HB VAL 49 -4.086 -7.517 7.596 409 HG11 VAL 49 HG11 VAL 49 -1.937 -8.108 8.699 410 HG12 VAL 49 HG12 VAL 49 -1.733 -7.645 7.007 411 HG13 VAL 49 HG13 VAL 49 -1.286 -6.513 8.289 412 HG21 VAL 49 HG21 VAL 49 -4.920 -6.096 9.420 413 HG22 VAL 49 HG22 VAL 49 -3.726 -7.232 10.046 414 HG23 VAL 49 HG23 VAL 49 -3.274 -5.536 9.768 415 H GLN 50 HN GLN 50 -4.723 -6.610 4.943 416 HA GLN 50 HA GLN 50 -2.398 -7.200 3.365 417 HB2 GLN 50 HB2 GLN 50 -5.297 -6.828 2.504 418 HB3 GLN 50 HB3 GLN 50 -4.018 -7.533 1.560 419 HG2 GLN 50 HG2 GLN 50 -4.656 -8.796 4.222 420 HG3 GLN 50 HG3 GLN 50 -5.726 -9.053 2.845 421 HE21 GLN 50 HE21 GLN 50 -5.102 -10.492 1.216 422 HE22 GLN 50 HE22 GLN 50 -3.672 -11.464 1.374 423 H VAL 51 HN VAL 51 -4.820 -4.516 3.367 424 HA VAL 51 HA VAL 51 -3.662 -3.020 1.254 425 HB VAL 51 HB VAL 51 -5.288 -1.992 3.619 426 HG11 VAL 51 HG11 VAL 51 -4.840 -0.854 0.835 427 HG12 VAL 51 HG12 VAL 51 -5.944 -0.186 2.059 428 HG13 VAL 51 HG13 VAL 51 -4.204 -0.169 2.354 429 HG21 VAL 51 HG21 VAL 51 -7.202 -2.156 2.018 430 HG22 VAL 51 HG22 VAL 51 -6.167 -3.046 0.888 431 HG23 VAL 51 HG23 VAL 51 -6.575 -3.736 2.476 432 H LYS 52 HN LYS 52 -3.094 -2.738 4.840 433 HA LYS 52 HA LYS 52 -1.275 -0.589 4.507 434 HB2 LYS 52 HB2 LYS 52 -0.995 -0.619 6.746 435 HB3 LYS 52 HB3 LYS 52 -2.422 -1.639 6.664 436 HG2 LYS 52 HG2 LYS 52 -0.908 -3.642 6.780 437 HG3 LYS 52 HG3 LYS 52 0.445 -2.548 7.048 438 HD2 LYS 52 HD2 LYS 52 -0.415 -1.759 9.121 439 HD3 LYS 52 HD3 LYS 52 -2.046 -2.405 8.790 440 HE2 LYS 52 HE2 LYS 52 -1.231 -4.670 8.870 441 HE3 LYS 52 HE3 LYS 52 0.435 -4.125 9.164 442 HZ1 LYS 52 HZ1 LYS 52 -0.804 -4.811 11.196 443 HZ2 LYS 52 HZ2 LYS 52 -1.828 -3.547 10.978 444 HZ3 LYS 52 HZ3 LYS 52 -0.233 -3.276 11.274 445 H ILE 53 HN ILE 53 -0.714 -4.040 4.115 446 HA ILE 53 HA ILE 53 2.179 -3.776 4.026 447 HB ILE 53 HB ILE 53 0.296 -6.024 3.200 448 HG12 ILE 53 HG12 ILE 53 2.264 -5.879 5.527 449 HG13 ILE 53 HG13 ILE 53 0.592 -5.413 5.697 450 HG21 ILE 53 HG21 ILE 53 3.355 -6.038 3.303 451 HG22 ILE 53 HG22 ILE 53 2.331 -7.473 3.050 452 HG23 ILE 53 HG23 ILE 53 2.364 -6.209 1.843 453 HD11 ILE 53 HD11 ILE 53 0.806 -7.660 6.487 454 HD12 ILE 53 HD12 ILE 53 -0.108 -7.709 4.965 455 HD13 ILE 53 HD13 ILE 53 1.603 -8.191 5.002 456 H TRP 54 HN TRP 54 -0.502 -3.670 1.592 457 HA TRP 54 HA TRP 54 1.294 -3.745 -0.645 458 HB2 TRP 54 HB2 TRP 54 -1.244 -4.078 -0.677 459 HB3 TRP 54 HB3 TRP 54 -1.396 -2.323 -0.630 460 HD1 TRP 54 HD1 TRP 54 -0.806 -5.201 -2.871 461 HE1 TRP 54 HE1 TRP 54 -0.295 -4.486 -5.274 462 HE3 TRP 54 HE3 TRP 54 -0.360 -0.115 -2.184 463 HZ2 TRP 54 HZ2 TRP 54 0.124 -2.046 -6.731 464 HZ3 TRP 54 HZ3 TRP 54 0.016 1.377 -4.174 465 HH2 TRP 54 HH2 TRP 54 0.396 0.378 -6.383 466 H PHE 55 HN PHE 55 -0.284 -1.038 1.078 467 HA PHE 55 HA PHE 55 0.776 1.061 -0.442 468 HB2 PHE 55 HB2 PHE 55 -0.306 0.828 2.350 469 HB3 PHE 55 HB3 PHE 55 0.492 2.320 1.906 470 HD1 PHE 55 HD2 PHE 55 -2.254 0.021 0.618 471 HD2 PHE 55 HD1 PHE 55 -0.649 4.028 0.778 472 HE1 PHE 55 HE2 PHE 55 -4.358 0.942 -0.319 473 HE2 PHE 55 HE1 PHE 55 -2.755 4.884 -0.185 474 HZ PHE 55 HZ PHE 55 -4.618 3.350 -0.704 475 H GLN 56 HN GLN 56 2.268 -0.338 2.577 476 HA GLN 56 HA GLN 56 4.593 1.232 2.477 477 HB2 GLN 56 HB2 GLN 56 5.725 -0.460 3.717 478 HB3 GLN 56 HB3 GLN 56 4.082 -0.217 4.412 479 HG2 GLN 56 HG2 GLN 56 3.312 -2.202 3.449 480 HG3 GLN 56 HG3 GLN 56 4.835 -2.493 2.594 481 HE21 GLN 56 HE21 GLN 56 3.296 -2.580 5.822 482 HE22 GLN 56 HE22 GLN 56 4.482 -3.720 6.424 483 H ASN 57 HN ASN 57 3.838 -1.654 0.557 484 HA ASN 57 HA ASN 57 6.588 -2.215 -0.146 485 HB2 ASN 57 HB2 ASN 57 3.875 -3.311 -0.822 486 HB3 ASN 57 HB3 ASN 57 5.081 -3.443 -2.084 487 HD21 ASN 57 HD21 ASN 57 4.366 -4.325 1.310 488 HD22 ASN 57 HD22 ASN 57 5.732 -5.411 1.500 489 H GLU 58 HN GLU 58 3.955 -0.396 -1.458 490 HA GLU 58 HA GLU 58 5.250 0.118 -4.066 491 HB2 GLU 58 HB2 GLU 58 2.783 -0.050 -3.733 492 HB3 GLU 58 HB3 GLU 58 2.814 1.413 -2.759 493 HG2 GLU 58 HG2 GLU 58 2.109 2.022 -4.989 494 HG3 GLU 58 HG3 GLU 58 3.695 2.700 -4.693 495 H ARG 59 HN ARG 59 4.611 1.888 -0.991 496 HA ARG 59 HA ARG 59 5.684 4.364 -1.816 497 HB2 ARG 59 HB2 ARG 59 4.419 3.496 0.458 498 HB3 ARG 59 HB3 ARG 59 6.057 3.553 1.056 499 HG2 ARG 59 HG2 ARG 59 5.696 5.989 -0.380 500 HG3 ARG 59 HG3 ARG 59 4.143 5.726 0.425 501 HD2 ARG 59 HD2 ARG 59 6.845 5.616 1.799 502 HD3 ARG 59 HD3 ARG 59 5.877 7.092 1.659 503 HE ARG 59 HE ARG 59 4.181 5.244 2.878 504 HH11 ARG 59 HH11 ARG 59 7.409 6.695 3.581 505 HH12 ARG 59 HH12 ARG 59 7.249 6.395 5.284 506 HH21 ARG 59 HH21 ARG 59 3.957 5.236 5.264 507 HH22 ARG 59 HH22 ARG 59 5.320 5.745 6.190 508 H ALA 60 HN ALA 60 7.353 1.456 -0.927 509 HA ALA 60 HA ALA 60 9.970 2.822 -0.661 510 HB1 ALA 60 HB1 ALA 60 10.896 0.577 -0.469 511 HB2 ALA 60 HB2 ALA 60 9.550 0.779 0.664 512 HB3 ALA 60 HB3 ALA 60 9.312 -0.154 -0.837 513 H LYS 61 HN LYS 61 8.255 0.652 -3.065 514 HA LYS 61 HA LYS 61 10.427 0.621 -4.844 515 HB2 LYS 61 HB2 LYS 61 7.980 -0.670 -4.692 516 HB3 LYS 61 HB3 LYS 61 7.692 0.437 -6.041 517 HG2 LYS 61 HG2 LYS 61 9.905 -0.438 -7.048 518 HG3 LYS 61 HG3 LYS 61 9.933 -1.585 -5.696 519 HD2 LYS 61 HD2 LYS 61 8.984 -2.830 -7.438 520 HD3 LYS 61 HD3 LYS 61 7.584 -2.300 -6.472 521 HE2 LYS 61 HE2 LYS 61 7.214 -0.432 -8.089 522 HE3 LYS 61 HE3 LYS 61 8.619 -0.956 -9.033 523 HZ1 LYS 61 HZ1 LYS 61 6.577 -1.768 -10.003 524 HZ2 LYS 61 HZ2 LYS 61 6.121 -2.477 -8.606 525 HZ3 LYS 61 HZ3 LYS 61 7.444 -3.031 -9.478 526 H TRP 62 HN TRP 62 7.951 3.055 -4.356 527 HA TRP 62 HA TRP 62 8.837 4.596 -6.683 528 HB2 TRP 62 HB2 TRP 62 6.531 4.648 -5.450 529 HB3 TRP 62 HB3 TRP 62 7.339 5.739 -4.339 530 HD1 TRP 62 HD1 TRP 62 5.636 5.540 -7.620 531 HE1 TRP 62 HE1 TRP 62 5.832 7.660 -9.013 532 HE3 TRP 62 HE3 TRP 62 9.144 7.922 -4.825 533 HZ2 TRP 62 HZ2 TRP 62 7.485 10.087 -8.988 534 HZ3 TRP 62 HZ3 TRP 62 10.185 10.032 -5.630 535 HH2 TRP 62 HH2 TRP 62 9.373 11.108 -7.706 536 H LYS 63 HN LYS 63 9.388 4.928 -3.026 537 HA LYS 63 HA LYS 63 11.008 7.235 -3.396 538 HB2 LYS 63 HB2 LYS 63 10.508 5.252 -1.200 539 HB3 LYS 63 HB3 LYS 63 12.010 6.134 -1.113 540 HG2 LYS 63 HG2 LYS 63 10.287 7.271 0.117 541 HG3 LYS 63 HG3 LYS 63 11.018 8.259 -1.115 542 HD2 LYS 63 HD2 LYS 63 8.518 7.032 -2.099 543 HD3 LYS 63 HD3 LYS 63 8.276 7.855 -0.555 544 HE2 LYS 63 HE2 LYS 63 9.652 9.804 -1.588 545 HE3 LYS 63 HE3 LYS 63 9.358 9.042 -3.139 546 HZ1 LYS 63 HZ1 LYS 63 6.911 9.265 -2.582 547 HZ2 LYS 63 HZ2 LYS 63 7.711 10.678 -2.729 548 HZ3 LYS 63 HZ3 LYS 63 7.354 10.132 -1.255 549 H ARG 64 HN ARG 64 11.969 3.847 -3.831 550 HA ARG 64 HA ARG 64 14.766 4.341 -3.764 551 HB2 ARG 64 HB2 ARG 64 15.094 2.296 -4.575 552 HB3 ARG 64 HB3 ARG 64 13.553 2.194 -3.677 553 HG2 ARG 64 HG2 ARG 64 12.403 2.575 -5.887 554 HG3 ARG 64 HG3 ARG 64 14.029 2.379 -6.599 555 HD2 ARG 64 HD2 ARG 64 14.149 0.177 -5.220 556 HD3 ARG 64 HD3 ARG 64 12.434 0.342 -4.916 557 HE ARG 64 HE ARG 64 12.914 0.454 -7.727 558 HH11 ARG 64 HH11 ARG 64 13.032 -1.958 -5.086 559 HH12 ARG 64 HH12 ARG 64 13.980 -3.036 -6.024 560 HH21 ARG 64 HH21 ARG 64 13.454 -1.219 -9.065 561 HH22 ARG 64 HH22 ARG 64 13.834 -2.818 -8.520 562 H ILE 65 HN ILE 65 12.524 5.213 -6.130 563 HA ILE 65 HA ILE 65 14.314 5.741 -8.322 564 HB ILE 65 HB ILE 65 11.524 6.867 -7.934 565 HG12 ILE 65 HG12 ILE 65 12.226 4.142 -9.113 566 HG13 ILE 65 HG13 ILE 65 11.536 4.430 -7.518 567 HG21 ILE 65 HG21 ILE 65 11.456 6.645 -10.467 568 HG22 ILE 65 HG22 ILE 65 12.610 7.806 -9.923 569 HG23 ILE 65 HG23 ILE 65 13.172 6.197 -10.430 570 HD11 ILE 65 HD11 ILE 65 9.668 3.906 -8.834 571 HD12 ILE 65 HD12 ILE 65 9.614 5.667 -8.715 572 HD13 ILE 65 HD13 ILE 65 10.208 4.879 -10.200 573 H LYS 66 HN LYS 66 13.955 7.371 -5.436 574 HA LYS 66 HA LYS 66 14.471 10.102 -6.384 575 HB2 LYS 66 HB2 LYS 66 15.052 10.752 -4.218 576 HB3 LYS 66 HB3 LYS 66 13.585 9.769 -4.187 577 HG2 LYS 66 HG2 LYS 66 14.482 8.605 -2.533 578 HG3 LYS 66 HG3 LYS 66 15.668 7.945 -3.664 579 HD2 LYS 66 HD2 LYS 66 16.576 10.557 -2.770 580 HD3 LYS 66 HD3 LYS 66 16.009 9.650 -1.369 581 HE2 LYS 66 HE2 LYS 66 17.446 7.691 -2.342 582 HE3 LYS 66 HE3 LYS 66 18.123 8.956 -3.391 583 HZ1 LYS 66 HZ1 LYS 66 18.676 10.145 -1.260 584 HZ2 LYS 66 HZ2 LYS 66 19.529 8.780 -1.519 585 HZ3 LYS 66 HZ3 LYS 66 18.281 8.757 -0.444 586 H ALA 67 HN ALA 67 15.934 8.872 -8.054 587 HA ALA 67 HA ALA 67 18.558 8.065 -7.544 588 HB1 ALA 67 HB1 ALA 67 17.516 7.633 -9.640 589 HB2 ALA 67 HB2 ALA 67 17.301 9.378 -9.976 590 HB3 ALA 67 HB3 ALA 67 18.924 8.675 -9.948 591 H GLY 68 HN GLY 68 17.436 11.194 -8.699 592 HA2 GLY 68 HA1 GLY 68 19.920 12.574 -8.680 593 HA3 GLY 68 HA2 GLY 68 18.309 13.296 -8.842 594 H ASN 69 HN ASN 69 20.368 11.738 -6.494 595 HA ASN 69 HA ASN 69 20.226 13.735 -4.422 596 HB2 ASN 69 HB2 ASN 69 17.957 12.348 -4.349 597 HB3 ASN 69 HB3 ASN 69 18.985 11.020 -3.826 598 HD21 ASN 69 HD21 ASN 69 18.732 14.611 -3.045 599 HD22 ASN 69 HD22 ASN 69 18.700 14.322 -1.321 600 H VAL 70 HN VAL 70 22.198 12.260 -6.102 601 HA VAL 70 HA VAL 70 23.324 10.065 -4.667 602 HB VAL 70 HB VAL 70 24.555 11.962 -6.720 603 HG11 VAL 70 HG11 VAL 70 26.022 10.053 -7.308 604 HG12 VAL 70 HG12 VAL 70 26.314 10.631 -5.681 605 HG13 VAL 70 HG13 VAL 70 25.379 9.135 -5.925 606 HG21 VAL 70 HG21 VAL 70 22.532 10.952 -7.664 607 HG22 VAL 70 HG22 VAL 70 23.956 10.230 -8.384 608 HG23 VAL 70 HG23 VAL 70 23.062 9.336 -7.135 609 H SER 71 HN SER 71 23.210 13.312 -3.978 610 HA SER 71 HA SER 71 24.528 15.047 -3.652 611 HB2 SER 71 HB2 SER 71 26.594 13.137 -2.497 612 HB3 SER 71 HB3 SER 71 26.778 14.887 -2.643 613 HG SER 71 HG SER 71 24.585 13.648 -1.284 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 20.993 -6.537 -9.445 2 HA2 GLY 1 HA1 GLY 1 19.165 -7.566 -8.259 3 HA3 GLY 1 HA2 GLY 1 18.663 -5.962 -7.712 4 H ALA 2 HN ALA 2 19.226 -7.782 -10.795 5 HA ALA 2 HA ALA 2 17.824 -5.962 -12.462 6 HB1 ALA 2 HB1 ALA 2 19.508 -7.641 -13.245 7 HB2 ALA 2 HB2 ALA 2 18.408 -8.951 -12.774 8 HB3 ALA 2 HB3 ALA 2 17.964 -7.854 -14.089 9 HA PRO 3 HA PRO 3 13.550 -7.279 -11.821 10 HB2 PRO 3 HB2 PRO 3 12.542 -7.352 -14.386 11 HB3 PRO 3 HB3 PRO 3 12.789 -5.854 -13.440 12 HG2 PRO 3 HG2 PRO 3 14.610 -7.066 -15.519 13 HG3 PRO 3 HG3 PRO 3 14.099 -5.362 -15.351 14 HD2 PRO 3 HD2 PRO 3 16.500 -6.190 -14.411 15 HD3 PRO 3 HD3 PRO 3 15.525 -5.021 -13.481 16 H GLY 4 HN GLY 4 13.420 -9.332 -11.095 17 HA2 GLY 4 HA1 GLY 4 13.092 -11.558 -12.841 18 HA3 GLY 4 HA2 GLY 4 14.688 -11.589 -12.086 19 H GLY 5 HN GLY 5 14.875 -11.659 -9.795 20 HA2 GLY 5 HA1 GLY 5 12.843 -13.267 -8.626 21 HA3 GLY 5 HA2 GLY 5 14.301 -12.647 -7.808 22 H LYS 6 HN LYS 6 11.680 -12.942 -6.698 23 HA LYS 6 HA LYS 6 10.860 -10.123 -6.140 24 HB2 LYS 6 HB2 LYS 6 9.249 -12.713 -5.876 25 HB3 LYS 6 HB3 LYS 6 8.709 -11.103 -5.412 26 HG2 LYS 6 HG2 LYS 6 7.766 -11.101 -7.473 27 HG3 LYS 6 HG3 LYS 6 9.341 -10.475 -7.929 28 HD2 LYS 6 HD2 LYS 6 8.968 -12.120 -9.545 29 HD3 LYS 6 HD3 LYS 6 9.957 -12.998 -8.397 30 HE2 LYS 6 HE2 LYS 6 8.338 -14.565 -8.293 31 HE3 LYS 6 HE3 LYS 6 7.354 -13.388 -7.423 32 HZ1 LYS 6 HZ1 LYS 6 6.579 -12.621 -9.661 33 HZ2 LYS 6 HZ2 LYS 6 6.148 -14.188 -9.293 34 HZ3 LYS 6 HZ3 LYS 6 7.354 -13.916 -10.324 35 H SER 7 HN SER 7 9.780 -10.250 -3.682 36 HA SER 7 HA SER 7 12.042 -11.170 -1.986 37 HB2 SER 7 HB2 SER 7 11.435 -8.786 -1.828 38 HB3 SER 7 HB3 SER 7 9.774 -9.232 -1.392 39 HG SER 7 HG SER 7 12.147 -9.885 0.045 40 H ARG 8 HN ARG 8 8.446 -11.190 -2.199 41 HA ARG 8 HA ARG 8 6.846 -12.465 -1.229 42 HB2 ARG 8 HB2 ARG 8 8.917 -14.615 -1.632 43 HB3 ARG 8 HB3 ARG 8 7.340 -14.975 -1.010 44 HG2 ARG 8 HG2 ARG 8 7.505 -13.454 -3.618 45 HG3 ARG 8 HG3 ARG 8 7.866 -15.181 -3.576 46 HD2 ARG 8 HD2 ARG 8 5.681 -15.577 -2.395 47 HD3 ARG 8 HD3 ARG 8 5.275 -13.870 -2.668 48 HE ARG 8 HE ARG 8 6.000 -15.195 -5.124 49 HH11 ARG 8 HH11 ARG 8 3.429 -15.401 -2.700 50 HH12 ARG 8 HH12 ARG 8 2.229 -15.873 -3.866 51 HH21 ARG 8 HH21 ARG 8 4.378 -15.826 -6.610 52 HH22 ARG 8 HH22 ARG 8 2.754 -16.099 -6.136 53 H ARG 9 HN ARG 9 8.984 -11.145 0.633 54 HA ARG 9 HA ARG 9 8.493 -12.864 3.017 55 HB2 ARG 9 HB2 ARG 9 10.774 -12.750 2.397 56 HB3 ARG 9 HB3 ARG 9 10.771 -10.982 2.352 57 HG2 ARG 9 HG2 ARG 9 10.630 -10.790 4.695 58 HG3 ARG 9 HG3 ARG 9 10.055 -12.434 4.904 59 HD2 ARG 9 HD2 ARG 9 12.852 -11.758 3.897 60 HD3 ARG 9 HD3 ARG 9 12.472 -11.971 5.608 61 HE ARG 9 HE ARG 9 12.933 -14.013 3.687 62 HH11 ARG 9 HH11 ARG 9 11.056 -13.313 6.678 63 HH12 ARG 9 HH12 ARG 9 10.523 -14.957 6.821 64 HH21 ARG 9 HH21 ARG 9 12.303 -16.203 4.055 65 HH22 ARG 9 HH22 ARG 9 11.386 -16.617 5.475 66 H ARG 10 HN ARG 10 7.828 -9.550 1.877 67 HA ARG 10 HA ARG 10 6.732 -9.022 4.602 68 HB2 ARG 10 HB2 ARG 10 8.703 -7.269 3.107 69 HB3 ARG 10 HB3 ARG 10 7.624 -6.656 4.361 70 HG2 ARG 10 HG2 ARG 10 8.551 -8.406 5.945 71 HG3 ARG 10 HG3 ARG 10 9.757 -8.799 4.714 72 HD2 ARG 10 HD2 ARG 10 10.796 -6.689 4.868 73 HD3 ARG 10 HD3 ARG 10 9.403 -5.958 5.651 74 HE ARG 10 HE ARG 10 11.284 -7.892 6.943 75 HH11 ARG 10 HH11 ARG 10 8.677 -5.576 7.504 76 HH12 ARG 10 HH12 ARG 10 9.449 -4.730 8.799 77 HH21 ARG 10 HH21 ARG 10 12.105 -7.138 8.995 78 HH22 ARG 10 HH22 ARG 10 11.121 -6.052 9.936 79 H ARG 11 HN ARG 11 4.692 -9.542 3.705 80 HA ARG 11 HA ARG 11 3.086 -7.434 2.917 81 HB2 ARG 11 HB2 ARG 11 4.565 -8.406 0.663 82 HB3 ARG 11 HB3 ARG 11 2.987 -9.123 0.488 83 HG2 ARG 11 HG2 ARG 11 1.927 -6.973 0.346 84 HG3 ARG 11 HG3 ARG 11 3.339 -6.144 1.023 85 HD2 ARG 11 HD2 ARG 11 3.181 -5.776 -1.411 86 HD3 ARG 11 HD3 ARG 11 4.667 -6.616 -0.957 87 HE ARG 11 HE ARG 11 2.469 -8.387 -1.660 88 HH11 ARG 11 HH11 ARG 11 5.071 -6.440 -3.143 89 HH12 ARG 11 HH12 ARG 11 4.882 -7.262 -4.671 90 HH21 ARG 11 HH21 ARG 11 2.656 -9.731 -3.544 91 HH22 ARG 11 HH22 ARG 11 3.906 -9.363 -4.693 92 H THR 12 HN THR 12 0.874 -8.135 2.991 93 HA THR 12 HA THR 12 0.367 -10.845 3.898 94 HB THR 12 HB THR 12 -0.662 -8.685 4.801 95 HG1 THR 12 HG1 THR 12 -1.523 -10.803 5.206 96 HG21 THR 12 HG21 THR 12 -2.606 -7.762 3.732 97 HG22 THR 12 HG22 THR 12 -2.598 -9.009 2.483 98 HG23 THR 12 HG23 THR 12 -1.324 -7.755 2.506 99 H ALA 13 HN ALA 13 -2.153 -11.328 2.718 100 HA ALA 13 HA ALA 13 -1.424 -12.468 0.125 101 HB1 ALA 13 HB1 ALA 13 -2.801 -13.613 1.984 102 HB2 ALA 13 HB2 ALA 13 -4.029 -12.384 1.675 103 HB3 ALA 13 HB3 ALA 13 -3.622 -13.573 0.414 104 H PHE 14 HN PHE 14 -1.419 -9.709 -0.062 105 HA PHE 14 HA PHE 14 -3.936 -8.964 -1.421 106 HB2 PHE 14 HB2 PHE 14 -1.463 -7.377 -0.764 107 HB3 PHE 14 HB3 PHE 14 -2.546 -6.869 -2.047 108 HD1 PHE 14 HD1 PHE 14 -4.081 -8.498 0.926 109 HD2 PHE 14 HD2 PHE 14 -3.110 -4.798 -0.979 110 HE1 PHE 14 HE1 PHE 14 -5.411 -7.374 2.589 111 HE2 PHE 14 HE2 PHE 14 -4.597 -3.628 0.712 112 HZ PHE 14 HZ PHE 14 -5.652 -4.887 2.504 113 H THR 15 HN THR 15 -4.269 -9.541 -3.415 114 HA THR 15 HA THR 15 -2.206 -10.677 -5.130 115 HB THR 15 HB THR 15 -4.058 -10.609 -6.839 116 HG1 THR 15 HG1 THR 15 -6.074 -10.233 -6.210 117 HG21 THR 15 HG21 THR 15 -3.630 -12.614 -5.343 118 HG22 THR 15 HG22 THR 15 -5.352 -12.442 -5.775 119 HG23 THR 15 HG23 THR 15 -4.792 -11.943 -4.172 120 H SER 16 HN SER 16 -2.078 -9.800 -7.447 121 HA SER 16 HA SER 16 -0.745 -7.377 -7.462 122 HB2 SER 16 HB2 SER 16 -1.008 -7.519 -9.883 123 HB3 SER 16 HB3 SER 16 -0.551 -9.056 -9.099 124 HG SER 16 HG SER 16 -3.068 -8.383 -10.227 125 H GLU 17 HN GLU 17 -4.169 -7.956 -8.036 126 HA GLU 17 HA GLU 17 -4.881 -5.455 -9.207 127 HB2 GLU 17 HB2 GLU 17 -6.549 -7.368 -7.488 128 HB3 GLU 17 HB3 GLU 17 -7.156 -6.178 -8.660 129 HG2 GLU 17 HG2 GLU 17 -5.852 -7.456 -10.439 130 HG3 GLU 17 HG3 GLU 17 -5.529 -8.683 -9.219 131 H GLN 18 HN GLN 18 -5.072 -6.770 -5.919 132 HA GLN 18 HA GLN 18 -5.989 -4.376 -4.707 133 HB2 GLN 18 HB2 GLN 18 -4.529 -6.589 -3.232 134 HB3 GLN 18 HB3 GLN 18 -5.814 -5.533 -2.635 135 HG2 GLN 18 HG2 GLN 18 -7.372 -6.701 -4.326 136 HG3 GLN 18 HG3 GLN 18 -6.031 -7.775 -4.666 137 HE21 GLN 18 HE21 GLN 18 -8.883 -7.496 -2.790 138 HE22 GLN 18 HE22 GLN 18 -8.454 -8.755 -1.657 139 H LEU 19 HN LEU 19 -2.803 -5.577 -5.614 140 HA LEU 19 HA LEU 19 -1.401 -3.588 -3.964 141 HB2 LEU 19 HB2 LEU 19 -0.554 -5.543 -6.133 142 HB3 LEU 19 HB3 LEU 19 0.557 -4.450 -5.320 143 HG LEU 19 HG LEU 19 -1.127 -6.477 -3.776 144 HD11 LEU 19 HD11 LEU 19 0.846 -7.925 -3.771 145 HD12 LEU 19 HD12 LEU 19 1.695 -6.812 -4.872 146 HD13 LEU 19 HD13 LEU 19 0.245 -7.691 -5.407 147 HD21 LEU 19 HD21 LEU 19 -0.167 -4.662 -2.436 148 HD22 LEU 19 HD22 LEU 19 1.446 -5.019 -3.094 149 HD23 LEU 19 HD23 LEU 19 0.606 -6.207 -2.066 150 H LEU 20 HN LEU 20 -3.010 -3.536 -7.022 151 HA LEU 20 HA LEU 20 -1.085 -1.766 -8.297 152 HB2 LEU 20 HB2 LEU 20 -3.258 -3.363 -9.211 153 HB3 LEU 20 HB3 LEU 20 -3.817 -1.712 -9.440 154 HG LEU 20 HG LEU 20 -2.784 -2.402 -11.458 155 HD11 LEU 20 HD11 LEU 20 -2.136 -0.088 -10.667 156 HD12 LEU 20 HD12 LEU 20 -1.065 -0.804 -11.877 157 HD13 LEU 20 HD13 LEU 20 -0.579 -0.742 -10.171 158 HD21 LEU 20 HD21 LEU 20 -0.512 -3.313 -11.645 159 HD22 LEU 20 HD22 LEU 20 -1.535 -4.323 -10.608 160 HD23 LEU 20 HD23 LEU 20 -0.327 -3.255 -9.876 161 H GLU 21 HN GLU 21 -4.426 -1.406 -7.169 162 HA GLU 21 HA GLU 21 -4.654 1.383 -7.546 163 HB2 GLU 21 HB2 GLU 21 -6.121 -0.445 -5.596 164 HB3 GLU 21 HB3 GLU 21 -6.719 1.091 -6.172 165 HG2 GLU 21 HG2 GLU 21 -6.255 -1.398 -7.865 166 HG3 GLU 21 HG3 GLU 21 -7.803 -0.744 -7.347 167 H LEU 22 HN LEU 22 -3.651 -0.533 -4.798 168 HA LEU 22 HA LEU 22 -3.333 1.553 -2.815 169 HB2 LEU 22 HB2 LEU 22 -2.446 -1.291 -3.247 170 HB3 LEU 22 HB3 LEU 22 -1.465 -0.344 -2.160 171 HG LEU 22 HG LEU 22 -3.289 0.036 -0.616 172 HD11 LEU 22 HD11 LEU 22 -5.085 -1.216 -2.676 173 HD12 LEU 22 HD12 LEU 22 -5.157 0.447 -2.078 174 HD13 LEU 22 HD13 LEU 22 -5.545 -0.887 -0.985 175 HD21 LEU 22 HD21 LEU 22 -3.311 -2.047 0.226 176 HD22 LEU 22 HD22 LEU 22 -2.140 -2.386 -1.051 177 HD23 LEU 22 HD23 LEU 22 -3.833 -2.799 -1.306 178 H ARG 23 HN ARG 23 -1.263 0.395 -5.463 179 HA ARG 23 HA ARG 23 0.998 1.960 -4.442 180 HB2 ARG 23 HB2 ARG 23 0.808 0.032 -6.765 181 HB3 ARG 23 HB3 ARG 23 2.236 1.013 -6.430 182 HG2 ARG 23 HG2 ARG 23 2.544 -0.029 -4.226 183 HG3 ARG 23 HG3 ARG 23 1.031 -0.879 -4.370 184 HD2 ARG 23 HD2 ARG 23 2.721 -2.457 -4.823 185 HD3 ARG 23 HD3 ARG 23 1.966 -2.107 -6.381 186 HE ARG 23 HE ARG 23 4.176 -0.363 -6.027 187 HH11 ARG 23 HH11 ARG 23 3.716 -3.886 -6.326 188 HH12 ARG 23 HH12 ARG 23 5.383 -4.170 -6.683 189 HH21 ARG 23 HH21 ARG 23 6.226 -0.735 -7.000 190 HH22 ARG 23 HH22 ARG 23 6.810 -2.337 -7.198 191 H LYS 24 HN LYS 24 -1.769 2.446 -6.233 192 HA LYS 24 HA LYS 24 -0.718 4.694 -7.744 193 HB2 LYS 24 HB2 LYS 24 -3.074 3.059 -7.905 194 HB3 LYS 24 HB3 LYS 24 -3.636 4.664 -7.466 195 HG2 LYS 24 HG2 LYS 24 -1.920 3.927 -9.865 196 HG3 LYS 24 HG3 LYS 24 -3.637 4.331 -9.873 197 HD2 LYS 24 HD2 LYS 24 -3.069 6.477 -10.261 198 HD3 LYS 24 HD3 LYS 24 -2.490 6.562 -8.605 199 HE2 LYS 24 HE2 LYS 24 -0.627 7.276 -9.837 200 HE3 LYS 24 HE3 LYS 24 -0.264 5.564 -9.563 201 HZ1 LYS 24 HZ1 LYS 24 -1.257 5.162 -11.825 202 HZ2 LYS 24 HZ2 LYS 24 0.112 6.069 -11.834 203 HZ3 LYS 24 HZ3 LYS 24 -1.321 6.807 -12.012 204 H GLU 25 HN GLU 25 -3.253 4.278 -5.206 205 HA GLU 25 HA GLU 25 -3.566 6.913 -4.551 206 HB2 GLU 25 HB2 GLU 25 -4.073 4.358 -3.116 207 HB3 GLU 25 HB3 GLU 25 -4.125 5.803 -2.136 208 HG2 GLU 25 HG2 GLU 25 -5.669 5.902 -4.713 209 HG3 GLU 25 HG3 GLU 25 -6.254 4.816 -3.456 210 H PHE 26 HN PHE 26 -1.150 4.696 -3.088 211 HA PHE 26 HA PHE 26 -0.406 6.513 -1.013 212 HB2 PHE 26 HB2 PHE 26 0.147 4.109 -1.072 213 HB3 PHE 26 HB3 PHE 26 1.243 4.418 -2.412 214 HD1 PHE 26 HD1 PHE 26 0.650 5.174 1.202 215 HD2 PHE 26 HD2 PHE 26 3.503 5.040 -2.013 216 HE1 PHE 26 HE1 PHE 26 2.496 5.392 2.833 217 HE2 PHE 26 HE2 PHE 26 5.329 5.428 -0.407 218 HZ PHE 26 HZ PHE 26 4.861 5.597 2.016 219 H HIS 27 HN HIS 27 0.473 6.573 -4.440 220 HA HIS 27 HA HIS 27 2.762 8.385 -3.883 221 HB2 HIS 27 HB2 HIS 27 1.748 7.096 -6.445 222 HB3 HIS 27 HB3 HIS 27 3.077 8.258 -6.371 223 HD1 HIS 27 HD1 HIS 27 3.475 5.269 -7.372 224 HD2 HIS 27 HD2 HIS 27 4.368 6.835 -3.563 225 HE1 HIS 27 HE1 HIS 27 5.229 3.720 -6.357 226 H CYS 28 HN CYS 28 -0.637 8.680 -4.336 227 HA CYS 28 HA CYS 28 -0.242 11.430 -5.421 228 HB2 CYS 28 HB2 CYS 28 -2.388 11.288 -6.387 229 HB3 CYS 28 HB3 CYS 28 -1.506 9.833 -6.873 230 HG CYS 28 HG CYS 28 -4.090 9.350 -6.410 231 H LYS 29 HN LYS 29 -1.036 9.773 -2.549 232 HA LYS 29 HA LYS 29 -2.315 12.223 -1.412 233 HB2 LYS 29 HB2 LYS 29 -2.911 9.297 -1.115 234 HB3 LYS 29 HB3 LYS 29 -2.720 10.128 0.397 235 HG2 LYS 29 HG2 LYS 29 -4.943 10.284 0.088 236 HG3 LYS 29 HG3 LYS 29 -4.412 11.870 -0.464 237 HD2 LYS 29 HD2 LYS 29 -4.733 11.133 -2.826 238 HD3 LYS 29 HD3 LYS 29 -5.072 9.479 -2.258 239 HE2 LYS 29 HE2 LYS 29 -6.931 10.405 -0.831 240 HE3 LYS 29 HE3 LYS 29 -6.706 11.985 -1.585 241 HZ1 LYS 29 HZ1 LYS 29 -7.327 9.529 -3.091 242 HZ2 LYS 29 HZ2 LYS 29 -7.485 11.097 -3.622 243 HZ3 LYS 29 HZ3 LYS 29 -8.474 10.523 -2.439 244 H LYS 30 HN LYS 30 -1.760 12.608 0.857 245 HA LYS 30 HA LYS 30 0.933 11.647 1.708 246 HB2 LYS 30 HB2 LYS 30 0.387 13.087 3.765 247 HB3 LYS 30 HB3 LYS 30 0.900 13.883 2.308 248 HG2 LYS 30 HG2 LYS 30 -2.068 13.563 2.739 249 HG3 LYS 30 HG3 LYS 30 -1.211 14.674 3.782 250 HD2 LYS 30 HD2 LYS 30 -1.031 14.857 0.737 251 HD3 LYS 30 HD3 LYS 30 -2.249 15.706 1.707 252 HE2 LYS 30 HE2 LYS 30 -0.463 16.808 3.014 253 HE3 LYS 30 HE3 LYS 30 0.762 16.015 2.010 254 HZ1 LYS 30 HZ1 LYS 30 -0.117 17.208 0.105 255 HZ2 LYS 30 HZ2 LYS 30 0.365 18.233 1.266 256 HZ3 LYS 30 HZ3 LYS 30 -1.243 17.966 1.034 257 H TYR 31 HN TYR 31 -2.558 11.658 2.695 258 HA TYR 31 HA TYR 31 -2.263 9.060 3.929 259 HB2 TYR 31 HB2 TYR 31 -3.363 9.910 6.039 260 HB3 TYR 31 HB3 TYR 31 -1.691 10.354 5.840 261 HD1 TYR 31 HD1 TYR 31 -5.157 11.779 5.145 262 HD2 TYR 31 HD2 TYR 31 -1.044 12.558 6.248 263 HE1 TYR 31 HE1 TYR 31 -5.729 14.112 5.669 264 HE2 TYR 31 HE2 TYR 31 -1.662 14.853 6.908 265 HH TYR 31 HH TYR 31 -3.669 16.132 7.556 266 H LEU 32 HN LEU 32 -4.621 8.537 4.823 267 HA LEU 32 HA LEU 32 -6.593 9.561 2.847 268 HB2 LEU 32 HB2 LEU 32 -7.167 6.861 3.720 269 HB3 LEU 32 HB3 LEU 32 -7.117 7.534 2.106 270 HG LEU 32 HG LEU 32 -4.623 6.536 3.543 271 HD11 LEU 32 HD11 LEU 32 -4.979 4.494 2.253 272 HD12 LEU 32 HD12 LEU 32 -6.478 5.170 1.590 273 HD13 LEU 32 HD13 LEU 32 -6.352 4.771 3.320 274 HD21 LEU 32 HD21 LEU 32 -5.259 6.995 0.579 275 HD22 LEU 32 HD22 LEU 32 -3.759 6.341 1.214 276 HD23 LEU 32 HD23 LEU 32 -4.194 8.031 1.543 277 H SER 33 HN SER 33 -8.841 9.048 3.547 278 HA SER 33 HA SER 33 -9.267 9.375 6.463 279 HB2 SER 33 HB2 SER 33 -11.016 10.594 4.326 280 HB3 SER 33 HB3 SER 33 -10.826 11.046 6.025 281 HG SER 33 HG SER 33 -9.217 12.314 5.477 282 H LEU 34 HN LEU 34 -11.855 8.814 6.874 283 HA LEU 34 HA LEU 34 -12.240 6.110 6.189 284 HB2 LEU 34 HB2 LEU 34 -13.935 8.331 7.313 285 HB3 LEU 34 HB3 LEU 34 -14.738 6.882 6.750 286 HG LEU 34 HG LEU 34 -14.235 7.004 9.170 287 HD11 LEU 34 HD11 LEU 34 -13.639 4.633 9.392 288 HD12 LEU 34 HD12 LEU 34 -13.022 4.603 7.722 289 HD13 LEU 34 HD13 LEU 34 -14.745 4.866 8.036 290 HD21 LEU 34 HD21 LEU 34 -11.992 7.945 9.144 291 HD22 LEU 34 HD22 LEU 34 -11.340 6.441 8.442 292 HD23 LEU 34 HD23 LEU 34 -12.060 6.448 10.066 293 H THR 35 HN THR 35 -13.663 9.090 4.674 294 HA THR 35 HA THR 35 -15.144 7.647 2.770 295 HB THR 35 HB THR 35 -14.024 10.473 2.703 296 HG1 THR 35 HG1 THR 35 -16.167 10.915 3.498 297 HG21 THR 35 HG21 THR 35 -16.304 9.204 1.094 298 HG22 THR 35 HG22 THR 35 -14.795 9.836 0.443 299 HG23 THR 35 HG23 THR 35 -15.959 10.948 1.172 300 H GLU 36 HN GLU 36 -11.702 8.392 2.740 301 HA GLU 36 HA GLU 36 -11.406 7.824 -0.099 302 HB2 GLU 36 HB2 GLU 36 -9.268 7.520 2.011 303 HB3 GLU 36 HB3 GLU 36 -9.087 7.822 0.278 304 HG2 GLU 36 HG2 GLU 36 -10.070 9.772 2.392 305 HG3 GLU 36 HG3 GLU 36 -8.504 9.792 1.599 306 H ARG 37 HN ARG 37 -10.716 6.033 2.933 307 HA ARG 37 HA ARG 37 -10.052 3.544 1.712 308 HB2 ARG 37 HB2 ARG 37 -11.188 4.161 4.472 309 HB3 ARG 37 HB3 ARG 37 -10.649 2.547 3.969 310 HG2 ARG 37 HG2 ARG 37 -8.380 3.440 3.498 311 HG3 ARG 37 HG3 ARG 37 -8.920 5.050 3.993 312 HD2 ARG 37 HD2 ARG 37 -9.580 3.852 6.248 313 HD3 ARG 37 HD3 ARG 37 -8.499 2.571 5.681 314 HE ARG 37 HE ARG 37 -6.642 4.013 5.884 315 HH11 ARG 37 HH11 ARG 37 -9.614 5.865 6.466 316 HH12 ARG 37 HH12 ARG 37 -8.754 7.161 7.266 317 HH21 ARG 37 HH21 ARG 37 -5.550 5.856 6.750 318 HH22 ARG 37 HH22 ARG 37 -6.469 7.317 6.986 319 H SER 38 HN SER 38 -13.222 4.809 2.683 320 HA SER 38 HA SER 38 -14.849 2.628 2.385 321 HB2 SER 38 HB2 SER 38 -15.569 4.867 3.090 322 HB3 SER 38 HB3 SER 38 -15.232 5.508 1.479 323 HG SER 38 HG SER 38 -17.274 5.209 1.313 324 H GLN 39 HN GLN 39 -13.292 4.499 -0.267 325 HA GLN 39 HA GLN 39 -14.801 3.160 -2.344 326 HB2 GLN 39 HB2 GLN 39 -12.376 5.031 -2.373 327 HB3 GLN 39 HB3 GLN 39 -13.312 4.537 -3.787 328 HG2 GLN 39 HG2 GLN 39 -15.228 5.741 -3.018 329 HG3 GLN 39 HG3 GLN 39 -14.534 6.067 -1.441 330 HE21 GLN 39 HE21 GLN 39 -13.314 7.884 -1.143 331 HE22 GLN 39 HE22 GLN 39 -12.571 8.848 -2.424 332 H ILE 40 HN ILE 40 -11.296 3.366 -1.475 333 HA ILE 40 HA ILE 40 -10.593 1.316 -3.318 334 HB ILE 40 HB ILE 40 -9.221 2.687 -1.014 335 HG12 ILE 40 HG12 ILE 40 -8.063 3.306 -3.584 336 HG13 ILE 40 HG13 ILE 40 -9.805 3.280 -3.820 337 HG21 ILE 40 HG21 ILE 40 -7.893 0.682 -1.222 338 HG22 ILE 40 HG22 ILE 40 -7.759 0.913 -2.988 339 HG23 ILE 40 HG23 ILE 40 -7.005 2.065 -1.858 340 HD11 ILE 40 HD11 ILE 40 -8.454 4.873 -1.636 341 HD12 ILE 40 HD12 ILE 40 -8.963 5.494 -3.233 342 HD13 ILE 40 HD13 ILE 40 -10.175 4.866 -2.105 343 H ALA 41 HN ALA 41 -11.904 0.983 -0.186 344 HA ALA 41 HA ALA 41 -10.852 -1.742 0.294 345 HB1 ALA 41 HB1 ALA 41 -13.081 -0.223 1.742 346 HB2 ALA 41 HB2 ALA 41 -12.325 -1.745 2.248 347 HB3 ALA 41 HB3 ALA 41 -11.376 -0.240 2.244 348 H HIS 42 HN HIS 42 -13.794 -0.057 -0.890 349 HA HIS 42 HA HIS 42 -15.279 -2.493 -1.266 350 HB2 HIS 42 HB2 HIS 42 -16.328 -0.227 -1.178 351 HB3 HIS 42 HB3 HIS 42 -15.523 0.207 -2.687 352 HD1 HIS 42 HD1 HIS 42 -18.506 -1.604 -1.397 353 HD2 HIS 42 HD2 HIS 42 -16.247 -1.327 -4.936 354 HE1 HIS 42 HE1 HIS 42 -19.913 -2.688 -3.293 355 H ALA 43 HN ALA 43 -13.128 -0.419 -3.185 356 HA ALA 43 HA ALA 43 -13.791 -1.526 -5.698 357 HB1 ALA 43 HB1 ALA 43 -12.730 0.726 -5.239 358 HB2 ALA 43 HB2 ALA 43 -11.201 -0.120 -4.905 359 HB3 ALA 43 HB3 ALA 43 -11.925 -0.210 -6.521 360 H LEU 44 HN LEU 44 -11.533 -2.624 -3.301 361 HA LEU 44 HA LEU 44 -10.395 -4.697 -5.126 362 HB2 LEU 44 HB2 LEU 44 -9.335 -3.464 -2.564 363 HB3 LEU 44 HB3 LEU 44 -8.531 -4.741 -3.481 364 HG LEU 44 HG LEU 44 -9.112 -1.929 -4.534 365 HD11 LEU 44 HD11 LEU 44 -6.861 -3.091 -3.001 366 HD12 LEU 44 HD12 LEU 44 -7.384 -1.404 -3.255 367 HD13 LEU 44 HD13 LEU 44 -6.388 -2.216 -4.451 368 HD21 LEU 44 HD21 LEU 44 -7.852 -4.359 -5.842 369 HD22 LEU 44 HD22 LEU 44 -7.468 -2.697 -6.347 370 HD23 LEU 44 HD23 LEU 44 -9.120 -3.286 -6.444 371 H LYS 45 HN LYS 45 -12.930 -4.494 -3.329 372 HA LYS 45 HA LYS 45 -14.206 -5.755 -2.094 373 HB2 LYS 45 HB2 LYS 45 -13.258 -7.151 -4.231 374 HB3 LYS 45 HB3 LYS 45 -12.999 -8.334 -2.974 375 HG2 LYS 45 HG2 LYS 45 -15.633 -6.915 -3.606 376 HG3 LYS 45 HG3 LYS 45 -15.201 -8.558 -4.108 377 HD2 LYS 45 HD2 LYS 45 -14.960 -9.171 -1.688 378 HD3 LYS 45 HD3 LYS 45 -15.632 -7.595 -1.239 379 HE2 LYS 45 HE2 LYS 45 -17.026 -9.668 -2.990 380 HE3 LYS 45 HE3 LYS 45 -17.270 -9.509 -1.250 381 HZ1 LYS 45 HZ1 LYS 45 -17.886 -7.372 -3.210 382 HZ2 LYS 45 HZ2 LYS 45 -18.158 -7.301 -1.593 383 HZ3 LYS 45 HZ3 LYS 45 -18.975 -8.377 -2.518 384 H LEU 46 HN LEU 46 -12.014 -4.879 -0.719 385 HA LEU 46 HA LEU 46 -11.186 -7.046 1.178 386 HB2 LEU 46 HB2 LEU 46 -10.150 -4.268 0.546 387 HB3 LEU 46 HB3 LEU 46 -9.699 -5.041 2.059 388 HG LEU 46 HG LEU 46 -9.351 -6.473 -0.595 389 HD11 LEU 46 HD11 LEU 46 -6.910 -5.811 -0.426 390 HD12 LEU 46 HD12 LEU 46 -7.410 -4.594 0.769 391 HD13 LEU 46 HD13 LEU 46 -8.033 -4.513 -0.882 392 HD21 LEU 46 HD21 LEU 46 -9.210 -7.903 1.428 393 HD22 LEU 46 HD22 LEU 46 -7.950 -6.826 2.078 394 HD23 LEU 46 HD23 LEU 46 -7.655 -7.746 0.614 395 H SER 47 HN SER 47 -10.965 -5.974 3.562 396 HA SER 47 HA SER 47 -13.527 -4.594 4.272 397 HB2 SER 47 HB2 SER 47 -11.474 -6.008 6.054 398 HB3 SER 47 HB3 SER 47 -12.855 -5.096 6.641 399 HG SER 47 HG SER 47 -13.294 -7.292 6.617 400 H GLU 48 HN GLU 48 -13.245 -2.539 5.272 401 HA GLU 48 HA GLU 48 -11.246 -0.830 4.540 402 HB2 GLU 48 HB2 GLU 48 -12.828 -0.793 7.143 403 HB3 GLU 48 HB3 GLU 48 -11.965 0.589 6.468 404 HG2 GLU 48 HG2 GLU 48 -13.450 0.671 4.545 405 HG3 GLU 48 HG3 GLU 48 -14.244 -0.836 5.033 406 H VAL 49 HN VAL 49 -11.228 -2.938 7.368 407 HA VAL 49 HA VAL 49 -8.900 -1.994 8.678 408 HB VAL 49 HB VAL 49 -10.285 -4.720 8.564 409 HG11 VAL 49 HG11 VAL 49 -8.176 -3.814 10.565 410 HG12 VAL 49 HG12 VAL 49 -9.207 -5.255 10.715 411 HG13 VAL 49 HG13 VAL 49 -8.049 -5.156 9.399 412 HG21 VAL 49 HG21 VAL 49 -10.432 -2.388 10.511 413 HG22 VAL 49 HG22 VAL 49 -11.715 -2.976 9.441 414 HG23 VAL 49 HG23 VAL 49 -11.188 -3.970 10.789 415 H GLN 50 HN GLN 50 -9.213 -4.623 6.155 416 HA GLN 50 HA GLN 50 -6.502 -5.416 6.336 417 HB2 GLN 50 HB2 GLN 50 -8.313 -5.425 3.882 418 HB3 GLN 50 HB3 GLN 50 -6.849 -6.369 4.116 419 HG2 GLN 50 HG2 GLN 50 -9.508 -6.728 5.496 420 HG3 GLN 50 HG3 GLN 50 -8.689 -7.847 4.412 421 HE21 GLN 50 HE21 GLN 50 -6.458 -8.760 5.272 422 HE22 GLN 50 HE22 GLN 50 -6.438 -9.056 6.987 423 H VAL 51 HN VAL 51 -8.127 -2.912 4.378 424 HA VAL 51 HA VAL 51 -5.850 -2.097 2.885 425 HB VAL 51 HB VAL 51 -8.162 -0.274 3.685 426 HG11 VAL 51 HG11 VAL 51 -6.309 -0.480 1.267 427 HG12 VAL 51 HG12 VAL 51 -7.761 0.541 1.322 428 HG13 VAL 51 HG13 VAL 51 -6.450 0.840 2.460 429 HG21 VAL 51 HG21 VAL 51 -8.207 -2.554 1.696 430 HG22 VAL 51 HG22 VAL 51 -9.384 -2.151 2.971 431 HG23 VAL 51 HG23 VAL 51 -9.245 -1.123 1.553 432 H LYS 52 HN LYS 52 -7.298 -0.765 5.936 433 HA LYS 52 HA LYS 52 -5.417 1.328 6.178 434 HB2 LYS 52 HB2 LYS 52 -6.489 1.856 8.109 435 HB3 LYS 52 HB3 LYS 52 -7.685 0.730 7.505 436 HG2 LYS 52 HG2 LYS 52 -6.598 -1.055 8.907 437 HG3 LYS 52 HG3 LYS 52 -5.640 0.226 9.644 438 HD2 LYS 52 HD2 LYS 52 -7.627 1.396 10.337 439 HD3 LYS 52 HD3 LYS 52 -8.704 0.273 9.468 440 HE2 LYS 52 HE2 LYS 52 -8.157 -1.539 10.832 441 HE3 LYS 52 HE3 LYS 52 -6.743 -0.731 11.512 442 HZ1 LYS 52 HZ1 LYS 52 -9.558 -0.025 12.067 443 HZ2 LYS 52 HZ2 LYS 52 -8.268 0.855 12.588 444 HZ3 LYS 52 HZ3 LYS 52 -8.511 -0.671 13.140 445 H ILE 53 HN ILE 53 -5.101 -2.078 7.053 446 HA ILE 53 HA ILE 53 -2.666 -1.641 8.547 447 HB ILE 53 HB ILE 53 -3.841 -4.151 7.337 448 HG12 ILE 53 HG12 ILE 53 -3.796 -3.507 10.314 449 HG13 ILE 53 HG13 ILE 53 -5.085 -2.864 9.319 450 HG21 ILE 53 HG21 ILE 53 -1.433 -4.515 7.739 451 HG22 ILE 53 HG22 ILE 53 -1.569 -3.801 9.363 452 HG23 ILE 53 HG23 ILE 53 -2.324 -5.367 8.993 453 HD11 ILE 53 HD11 ILE 53 -5.738 -4.984 10.377 454 HD12 ILE 53 HD12 ILE 53 -5.763 -5.099 8.603 455 HD13 ILE 53 HD13 ILE 53 -4.439 -5.829 9.514 456 H TRP 54 HN TRP 54 -3.385 -2.159 5.051 457 HA TRP 54 HA TRP 54 -0.629 -2.787 4.421 458 HB2 TRP 54 HB2 TRP 54 -2.812 -3.134 2.986 459 HB3 TRP 54 HB3 TRP 54 -2.479 -1.512 2.420 460 HD1 TRP 54 HD1 TRP 54 -1.344 -5.089 2.225 461 HE1 TRP 54 HE1 TRP 54 0.369 -5.401 0.339 462 HE3 TRP 54 HE3 TRP 54 -0.661 -0.196 0.852 463 HZ2 TRP 54 HZ2 TRP 54 2.007 -3.718 -1.407 464 HZ3 TRP 54 HZ3 TRP 54 0.731 0.336 -1.166 465 HH2 TRP 54 HH2 TRP 54 2.068 -1.410 -2.238 466 H PHE 55 HN PHE 55 -2.575 0.215 4.113 467 HA PHE 55 HA PHE 55 -0.418 1.778 3.141 468 HB2 PHE 55 HB2 PHE 55 -3.012 2.473 4.510 469 HB3 PHE 55 HB3 PHE 55 -1.901 3.746 4.076 470 HD1 PHE 55 HD2 PHE 55 -4.259 1.240 2.713 471 HD2 PHE 55 HD1 PHE 55 -1.504 4.391 1.725 472 HE1 PHE 55 HE2 PHE 55 -5.391 1.584 0.505 473 HE2 PHE 55 HE1 PHE 55 -2.725 4.722 -0.460 474 HZ PHE 55 HZ PHE 55 -4.642 3.325 -1.024 475 H GLN 56 HN GLN 56 -1.272 1.114 6.562 476 HA GLN 56 HA GLN 56 0.604 3.086 7.584 477 HB2 GLN 56 HB2 GLN 56 0.303 1.972 9.699 478 HB3 GLN 56 HB3 GLN 56 -1.311 2.156 8.952 479 HG2 GLN 56 HG2 GLN 56 -1.162 -0.167 8.215 480 HG3 GLN 56 HG3 GLN 56 0.375 -0.335 9.076 481 HE21 GLN 56 HE21 GLN 56 -3.044 0.624 9.704 482 HE22 GLN 56 HE22 GLN 56 -3.119 -0.215 11.237 483 H ASN 57 HN ASN 57 0.872 -0.262 6.557 484 HA ASN 57 HA ASN 57 3.438 -0.741 7.877 485 HB2 ASN 57 HB2 ASN 57 1.515 -2.292 6.093 486 HB3 ASN 57 HB3 ASN 57 3.184 -2.739 6.075 487 HD21 ASN 57 HD21 ASN 57 0.339 -2.561 8.212 488 HD22 ASN 57 HD22 ASN 57 1.096 -3.497 9.507 489 H GLU 58 HN GLU 58 2.155 0.330 4.828 490 HA GLU 58 HA GLU 58 4.692 0.064 3.401 491 HB2 GLU 58 HB2 GLU 58 3.548 0.509 1.557 492 HB3 GLU 58 HB3 GLU 58 2.186 0.062 2.560 493 HG2 GLU 58 HG2 GLU 58 1.702 2.441 2.986 494 HG3 GLU 58 HG3 GLU 58 3.143 2.895 2.067 495 H ARG 59 HN ARG 59 2.859 2.786 4.979 496 HA ARG 59 HA ARG 59 4.471 4.826 4.019 497 HB2 ARG 59 HB2 ARG 59 2.366 5.050 5.443 498 HB3 ARG 59 HB3 ARG 59 3.409 4.852 6.853 499 HG2 ARG 59 HG2 ARG 59 3.082 7.178 6.602 500 HG3 ARG 59 HG3 ARG 59 4.727 6.896 6.014 501 HD2 ARG 59 HD2 ARG 59 3.912 7.048 3.683 502 HD3 ARG 59 HD3 ARG 59 2.241 7.238 4.261 503 HE ARG 59 HE ARG 59 3.807 9.245 5.451 504 HH11 ARG 59 HH11 ARG 59 2.824 8.481 2.101 505 HH12 ARG 59 HH12 ARG 59 3.002 10.096 1.558 506 HH21 ARG 59 HH21 ARG 59 4.019 11.388 4.705 507 HH22 ARG 59 HH22 ARG 59 3.821 11.741 3.033 508 H ALA 60 HN ALA 60 5.042 2.624 6.612 509 HA ALA 60 HA ALA 60 7.540 3.818 7.585 510 HB1 ALA 60 HB1 ALA 60 6.151 2.391 9.044 511 HB2 ALA 60 HB2 ALA 60 6.435 0.991 7.979 512 HB3 ALA 60 HB3 ALA 60 7.781 1.741 8.867 513 H LYS 61 HN LYS 61 6.775 0.957 5.384 514 HA LYS 61 HA LYS 61 9.495 0.262 5.068 515 HB2 LYS 61 HB2 LYS 61 7.872 -1.427 4.888 516 HB3 LYS 61 HB3 LYS 61 6.772 -0.411 3.943 517 HG2 LYS 61 HG2 LYS 61 8.117 -0.505 2.069 518 HG3 LYS 61 HG3 LYS 61 9.356 -1.516 2.867 519 HD2 LYS 61 HD2 LYS 61 7.792 -3.381 2.957 520 HD3 LYS 61 HD3 LYS 61 6.465 -2.352 2.373 521 HE2 LYS 61 HE2 LYS 61 7.489 -2.083 0.255 522 HE3 LYS 61 HE3 LYS 61 9.023 -2.822 0.771 523 HZ1 LYS 61 HZ1 LYS 61 6.398 -4.190 0.357 524 HZ2 LYS 61 HZ2 LYS 61 7.777 -4.924 0.931 525 HZ3 LYS 61 HZ3 LYS 61 7.758 -4.328 -0.565 526 H TRP 62 HN TRP 62 7.380 2.586 3.434 527 HA TRP 62 HA TRP 62 9.224 2.966 1.228 528 HB2 TRP 62 HB2 TRP 62 6.615 3.404 1.308 529 HB3 TRP 62 HB3 TRP 62 7.113 4.963 1.921 530 HD1 TRP 62 HD1 TRP 62 6.729 2.996 -1.238 531 HE1 TRP 62 HE1 TRP 62 7.507 4.322 -3.268 532 HE3 TRP 62 HE3 TRP 62 9.101 6.833 1.170 533 HZ2 TRP 62 HZ2 TRP 62 9.134 6.647 -3.801 534 HZ3 TRP 62 HZ3 TRP 62 10.407 8.502 -0.141 535 HH2 TRP 62 HH2 TRP 62 10.393 8.415 -2.620 536 H LYS 63 HN LYS 63 8.414 4.637 4.354 537 HA LYS 63 HA LYS 63 10.196 6.822 3.965 538 HB2 LYS 63 HB2 LYS 63 9.036 5.434 6.408 539 HB3 LYS 63 HB3 LYS 63 10.302 6.616 6.599 540 HG2 LYS 63 HG2 LYS 63 8.507 7.912 4.861 541 HG3 LYS 63 HG3 LYS 63 7.461 7.048 5.986 542 HD2 LYS 63 HD2 LYS 63 7.845 9.216 6.909 543 HD3 LYS 63 HD3 LYS 63 8.761 8.060 7.897 544 HE2 LYS 63 HE2 LYS 63 10.807 8.603 6.504 545 HE3 LYS 63 HE3 LYS 63 9.853 9.819 5.645 546 HZ1 LYS 63 HZ1 LYS 63 11.188 10.712 7.436 547 HZ2 LYS 63 HZ2 LYS 63 10.445 9.786 8.530 548 HZ3 LYS 63 HZ3 LYS 63 9.557 10.956 7.761 549 H ARG 64 HN ARG 64 11.077 3.460 4.602 550 HA ARG 64 HA ARG 64 13.793 4.286 5.327 551 HB2 ARG 64 HB2 ARG 64 12.820 1.580 4.378 552 HB3 ARG 64 HB3 ARG 64 14.386 1.934 5.135 553 HG2 ARG 64 HG2 ARG 64 12.690 2.930 7.036 554 HG3 ARG 64 HG3 ARG 64 11.654 1.709 6.319 555 HD2 ARG 64 HD2 ARG 64 12.672 0.562 8.092 556 HD3 ARG 64 HD3 ARG 64 13.603 0.049 6.688 557 HE ARG 64 HE ARG 64 15.468 0.921 7.679 558 HH11 ARG 64 HH11 ARG 64 12.681 2.580 9.192 559 HH12 ARG 64 HH12 ARG 64 13.700 3.521 10.234 560 HH21 ARG 64 HH21 ARG 64 16.716 2.035 9.205 561 HH22 ARG 64 HH22 ARG 64 15.983 3.188 10.283 562 H ILE 65 HN ILE 65 12.138 3.983 2.380 563 HA ILE 65 HA ILE 65 14.503 3.623 0.693 564 HB ILE 65 HB ILE 65 11.836 4.591 -0.317 565 HG12 ILE 65 HG12 ILE 65 12.559 1.669 0.225 566 HG13 ILE 65 HG13 ILE 65 11.372 2.615 1.083 567 HG21 ILE 65 HG21 ILE 65 12.675 3.189 -2.348 568 HG22 ILE 65 HG22 ILE 65 13.600 4.609 -1.998 569 HG23 ILE 65 HG23 ILE 65 14.230 3.055 -1.472 570 HD11 ILE 65 HD11 ILE 65 11.193 1.665 -1.775 571 HD12 ILE 65 HD12 ILE 65 10.082 1.377 -0.425 572 HD13 ILE 65 HD13 ILE 65 10.180 2.990 -1.151 573 H LYS 66 HN LYS 66 13.301 6.221 2.445 574 HA LYS 66 HA LYS 66 13.599 8.415 0.754 575 HB2 LYS 66 HB2 LYS 66 13.700 7.989 3.652 576 HB3 LYS 66 HB3 LYS 66 14.899 9.179 3.177 577 HG2 LYS 66 HG2 LYS 66 12.876 10.207 1.760 578 HG3 LYS 66 HG3 LYS 66 11.894 9.239 2.869 579 HD2 LYS 66 HD2 LYS 66 12.056 11.416 3.831 580 HD3 LYS 66 HD3 LYS 66 13.164 10.404 4.784 581 HE2 LYS 66 HE2 LYS 66 15.088 11.253 3.516 582 HE3 LYS 66 HE3 LYS 66 14.032 12.068 2.374 583 HZ1 LYS 66 HZ1 LYS 66 14.353 12.784 5.218 584 HZ2 LYS 66 HZ2 LYS 66 13.302 13.509 4.184 585 HZ3 LYS 66 HZ3 LYS 66 14.939 13.597 3.922 586 H ALA 67 HN ALA 67 16.127 6.223 1.409 587 HA ALA 67 HA ALA 67 18.170 8.114 0.423 588 HB1 ALA 67 HB1 ALA 67 18.377 5.449 1.851 589 HB2 ALA 67 HB2 ALA 67 19.764 6.408 1.316 590 HB3 ALA 67 HB3 ALA 67 18.688 7.078 2.551 591 H GLY 68 HN GLY 68 16.180 5.638 -0.772 592 HA2 GLY 68 HA1 GLY 68 18.196 4.305 -2.452 593 HA3 GLY 68 HA2 GLY 68 16.467 3.943 -2.309 594 H ASN 69 HN ASN 69 17.870 7.190 -2.968 595 HA ASN 69 HA ASN 69 16.807 7.121 -5.698 596 HB2 ASN 69 HB2 ASN 69 15.377 8.195 -3.385 597 HB3 ASN 69 HB3 ASN 69 15.652 9.467 -4.566 598 HD21 ASN 69 HD21 ASN 69 15.350 8.478 -7.076 599 HD22 ASN 69 HD22 ASN 69 13.829 7.663 -7.223 600 H VAL 70 HN VAL 70 19.339 7.641 -4.127 601 HA VAL 70 HA VAL 70 20.190 10.284 -5.080 602 HB VAL 70 HB VAL 70 20.948 9.340 -2.960 603 HG11 VAL 70 HG11 VAL 70 21.048 6.952 -3.413 604 HG12 VAL 70 HG12 VAL 70 22.359 7.203 -4.582 605 HG13 VAL 70 HG13 VAL 70 22.626 7.520 -2.861 606 HG21 VAL 70 HG21 VAL 70 23.220 9.958 -3.013 607 HG22 VAL 70 HG22 VAL 70 23.372 9.607 -4.740 608 HG23 VAL 70 HG23 VAL 70 22.376 10.976 -4.189 609 H SER 71 HN SER 71 19.107 7.983 -6.910 610 HA SER 71 HA SER 71 20.829 8.574 -9.066 611 HB2 SER 71 HB2 SER 71 20.343 5.610 -8.586 612 HB3 SER 71 HB3 SER 71 21.339 6.387 -9.828 613 HG SER 71 HG SER 71 22.295 7.393 -7.734 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 20.443 5.186 0.886 2 HA2 GLY 1 HA1 GLY 1 22.735 4.428 1.244 3 HA3 GLY 1 HA2 GLY 1 22.599 5.006 2.913 4 H ALA 2 HN ALA 2 23.207 2.311 2.015 5 HA ALA 2 HA ALA 2 22.695 0.164 2.074 6 HB1 ALA 2 HB1 ALA 2 21.176 -0.798 3.646 7 HB2 ALA 2 HB2 ALA 2 22.104 0.492 4.429 8 HB3 ALA 2 HB3 ALA 2 20.410 0.767 3.961 9 HA PRO 3 HA PRO 3 19.464 0.703 -1.207 10 HB2 PRO 3 HB2 PRO 3 20.944 -0.064 -3.346 11 HB3 PRO 3 HB3 PRO 3 21.076 1.587 -2.662 12 HG2 PRO 3 HG2 PRO 3 22.874 -0.807 -2.091 13 HG3 PRO 3 HG3 PRO 3 23.355 0.832 -2.580 14 HD2 PRO 3 HD2 PRO 3 23.312 0.055 0.023 15 HD3 PRO 3 HD3 PRO 3 22.876 1.720 -0.452 16 H GLY 4 HN GLY 4 18.770 -1.107 0.356 17 HA2 GLY 4 HA1 GLY 4 18.656 -3.705 -0.948 18 HA3 GLY 4 HA2 GLY 4 19.806 -3.642 0.370 19 H GLY 5 HN GLY 5 16.559 -3.971 -0.468 20 HA2 GLY 5 HA1 GLY 5 15.717 -4.777 2.119 21 HA3 GLY 5 HA2 GLY 5 15.096 -3.147 1.787 22 H LYS 6 HN LYS 6 15.577 -6.178 -0.124 23 HA LYS 6 HA LYS 6 13.073 -5.638 -1.599 24 HB2 LYS 6 HB2 LYS 6 15.086 -6.260 -2.881 25 HB3 LYS 6 HB3 LYS 6 15.253 -7.740 -1.945 26 HG2 LYS 6 HG2 LYS 6 14.317 -8.331 -4.071 27 HG3 LYS 6 HG3 LYS 6 13.090 -8.558 -2.846 28 HD2 LYS 6 HD2 LYS 6 11.753 -7.503 -4.295 29 HD3 LYS 6 HD3 LYS 6 12.426 -6.017 -3.657 30 HE2 LYS 6 HE2 LYS 6 13.437 -7.519 -6.124 31 HE3 LYS 6 HE3 LYS 6 12.320 -6.158 -6.154 32 HZ1 LYS 6 HZ1 LYS 6 15.155 -6.092 -5.367 33 HZ2 LYS 6 HZ2 LYS 6 14.117 -4.847 -5.070 34 HZ3 LYS 6 HZ3 LYS 6 14.406 -5.345 -6.619 35 H SER 7 HN SER 7 11.167 -6.370 -0.634 36 HA SER 7 HA SER 7 11.180 -9.107 0.553 37 HB2 SER 7 HB2 SER 7 9.594 -6.857 1.800 38 HB3 SER 7 HB3 SER 7 10.049 -8.424 2.481 39 HG SER 7 HG SER 7 11.429 -6.028 2.264 40 H ARG 8 HN ARG 8 9.425 -10.348 -0.219 41 HA ARG 8 HA ARG 8 7.017 -8.922 -1.188 42 HB2 ARG 8 HB2 ARG 8 8.745 -10.743 -2.900 43 HB3 ARG 8 HB3 ARG 8 7.086 -10.277 -3.305 44 HG2 ARG 8 HG2 ARG 8 7.791 -7.879 -3.320 45 HG3 ARG 8 HG3 ARG 8 9.477 -8.410 -3.093 46 HD2 ARG 8 HD2 ARG 8 9.371 -9.722 -5.162 47 HD3 ARG 8 HD3 ARG 8 7.671 -9.272 -5.381 48 HE ARG 8 HE ARG 8 9.267 -6.902 -5.135 49 HH11 ARG 8 HH11 ARG 8 8.940 -9.584 -7.456 50 HH12 ARG 8 HH12 ARG 8 8.573 -8.534 -8.783 51 HH21 ARG 8 HH21 ARG 8 9.435 -5.610 -6.868 52 HH22 ARG 8 HH22 ARG 8 9.456 -6.215 -8.506 53 H ARG 9 HN ARG 9 6.925 -10.158 1.145 54 HA ARG 9 HA ARG 9 5.305 -12.535 0.604 55 HB2 ARG 9 HB2 ARG 9 7.840 -13.098 1.027 56 HB3 ARG 9 HB3 ARG 9 7.489 -12.762 2.712 57 HG2 ARG 9 HG2 ARG 9 6.129 -14.678 2.911 58 HG3 ARG 9 HG3 ARG 9 5.768 -14.732 1.167 59 HD2 ARG 9 HD2 ARG 9 8.066 -15.355 0.656 60 HD3 ARG 9 HD3 ARG 9 8.521 -15.279 2.359 61 HE ARG 9 HE ARG 9 6.487 -17.064 2.417 62 HH11 ARG 9 HH11 ARG 9 9.365 -16.923 0.271 63 HH12 ARG 9 HH12 ARG 9 9.296 -18.612 -0.105 64 HH21 ARG 9 HH21 ARG 9 6.790 -19.363 2.263 65 HH22 ARG 9 HH22 ARG 9 7.782 -20.037 1.033 66 H ARG 10 HN ARG 10 4.532 -13.240 3.102 67 HA ARG 10 HA ARG 10 3.313 -12.709 4.898 68 HB2 ARG 10 HB2 ARG 10 4.886 -10.136 5.160 69 HB3 ARG 10 HB3 ARG 10 4.011 -11.022 6.408 70 HG2 ARG 10 HG2 ARG 10 5.663 -12.837 6.348 71 HG3 ARG 10 HG3 ARG 10 6.495 -12.062 4.994 72 HD2 ARG 10 HD2 ARG 10 7.788 -11.418 6.766 73 HD3 ARG 10 HD3 ARG 10 6.775 -10.000 6.542 74 HE ARG 10 HE ARG 10 7.032 -11.736 8.814 75 HH11 ARG 10 HH11 ARG 10 5.081 -9.107 7.538 76 HH12 ARG 10 HH12 ARG 10 4.034 -9.027 8.918 77 HH21 ARG 10 HH21 ARG 10 5.770 -11.627 10.624 78 HH22 ARG 10 HH22 ARG 10 4.464 -10.495 10.780 79 H ARG 11 HN ARG 11 2.018 -12.103 2.510 80 HA ARG 11 HA ARG 11 0.661 -9.463 2.925 81 HB2 ARG 11 HB2 ARG 11 1.545 -10.887 0.391 82 HB3 ARG 11 HB3 ARG 11 0.340 -9.613 0.345 83 HG2 ARG 11 HG2 ARG 11 1.853 -7.931 1.032 84 HG3 ARG 11 HG3 ARG 11 3.035 -9.101 1.610 85 HD2 ARG 11 HD2 ARG 11 3.869 -8.244 -0.438 86 HD3 ARG 11 HD3 ARG 11 3.370 -9.917 -0.724 87 HE ARG 11 HE ARG 11 1.172 -8.313 -1.412 88 HH11 ARG 11 HH11 ARG 11 4.224 -9.236 -2.787 89 HH12 ARG 11 HH12 ARG 11 4.164 -8.167 -4.148 90 HH21 ARG 11 HH21 ARG 11 0.829 -7.440 -3.527 91 HH22 ARG 11 HH22 ARG 11 2.185 -6.911 -4.482 92 H THR 12 HN THR 12 -1.462 -9.647 1.427 93 HA THR 12 HA THR 12 -2.766 -12.278 1.904 94 HB THR 12 HB THR 12 -4.424 -9.856 1.498 95 HG1 THR 12 HG1 THR 12 -3.478 -10.275 4.125 96 HG21 THR 12 HG21 THR 12 -4.657 -12.177 3.460 97 HG22 THR 12 HG22 THR 12 -5.497 -12.037 1.901 98 HG23 THR 12 HG23 THR 12 -5.864 -10.897 3.202 99 H ALA 13 HN ALA 13 -4.650 -12.460 0.155 100 HA ALA 13 HA ALA 13 -3.325 -12.427 -2.413 101 HB1 ALA 13 HB1 ALA 13 -4.619 -14.351 -1.681 102 HB2 ALA 13 HB2 ALA 13 -6.084 -13.347 -1.516 103 HB3 ALA 13 HB3 ALA 13 -5.372 -13.636 -3.116 104 H PHE 14 HN PHE 14 -3.188 -9.992 -2.461 105 HA PHE 14 HA PHE 14 -5.652 -8.652 -3.464 106 HB2 PHE 14 HB2 PHE 14 -2.892 -7.642 -2.700 107 HB3 PHE 14 HB3 PHE 14 -4.002 -6.691 -3.653 108 HD1 PHE 14 HD1 PHE 14 -4.661 -8.782 -0.542 109 HD2 PHE 14 HD2 PHE 14 -4.649 -4.903 -2.365 110 HE1 PHE 14 HE1 PHE 14 -5.420 -7.797 1.596 111 HE2 PHE 14 HE2 PHE 14 -5.454 -3.918 -0.220 112 HZ PHE 14 HZ PHE 14 -5.773 -5.349 1.754 113 H THR 15 HN THR 15 -6.009 -8.942 -5.643 114 HA THR 15 HA THR 15 -3.955 -9.905 -7.437 115 HB THR 15 HB THR 15 -5.734 -9.449 -9.181 116 HG1 THR 15 HG1 THR 15 -7.785 -8.974 -8.513 117 HG21 THR 15 HG21 THR 15 -6.634 -11.060 -6.744 118 HG22 THR 15 HG22 THR 15 -5.565 -11.655 -8.040 119 HG23 THR 15 HG23 THR 15 -7.250 -11.252 -8.400 120 H SER 16 HN SER 16 -3.493 -8.604 -9.571 121 HA SER 16 HA SER 16 -2.158 -6.208 -8.776 122 HB2 SER 16 HB2 SER 16 -2.796 -7.273 -11.525 123 HB3 SER 16 HB3 SER 16 -1.540 -6.081 -11.094 124 HG SER 16 HG SER 16 -0.590 -8.086 -11.271 125 H GLU 17 HN GLU 17 -5.421 -6.780 -9.778 126 HA GLU 17 HA GLU 17 -5.957 -4.132 -10.824 127 HB2 GLU 17 HB2 GLU 17 -7.865 -6.036 -9.398 128 HB3 GLU 17 HB3 GLU 17 -8.239 -4.712 -10.502 129 HG2 GLU 17 HG2 GLU 17 -6.998 -5.990 -12.334 130 HG3 GLU 17 HG3 GLU 17 -7.070 -7.393 -11.244 131 H GLN 18 HN GLN 18 -6.099 -5.745 -7.688 132 HA GLN 18 HA GLN 18 -7.239 -3.506 -6.296 133 HB2 GLN 18 HB2 GLN 18 -5.853 -5.962 -5.136 134 HB3 GLN 18 HB3 GLN 18 -7.040 -4.931 -4.334 135 HG2 GLN 18 HG2 GLN 18 -8.751 -5.668 -6.096 136 HG3 GLN 18 HG3 GLN 18 -7.532 -6.715 -6.748 137 HE21 GLN 18 HE21 GLN 18 -10.029 -6.577 -4.280 138 HE22 GLN 18 HE22 GLN 18 -9.665 -8.150 -3.666 139 H LEU 19 HN LEU 19 -3.990 -4.779 -6.911 140 HA LEU 19 HA LEU 19 -2.606 -2.933 -5.168 141 HB2 LEU 19 HB2 LEU 19 -1.745 -4.421 -7.677 142 HB3 LEU 19 HB3 LEU 19 -0.662 -3.509 -6.662 143 HG LEU 19 HG LEU 19 -2.274 -5.924 -5.676 144 HD11 LEU 19 HD11 LEU 19 -0.596 -6.578 -7.376 145 HD12 LEU 19 HD12 LEU 19 -0.186 -7.175 -5.774 146 HD13 LEU 19 HD13 LEU 19 0.664 -5.758 -6.447 147 HD21 LEU 19 HD21 LEU 19 -0.777 -5.899 -3.754 148 HD22 LEU 19 HD22 LEU 19 -1.640 -4.370 -3.859 149 HD23 LEU 19 HD23 LEU 19 0.051 -4.456 -4.394 150 H LEU 20 HN LEU 20 -4.255 -2.398 -8.188 151 HA LEU 20 HA LEU 20 -2.382 -0.506 -9.272 152 HB2 LEU 20 HB2 LEU 20 -4.449 -1.978 -10.321 153 HB3 LEU 20 HB3 LEU 20 -5.291 -0.472 -10.076 154 HG LEU 20 HG LEU 20 -4.503 -0.547 -12.327 155 HD11 LEU 20 HD11 LEU 20 -3.056 1.410 -12.520 156 HD12 LEU 20 HD12 LEU 20 -2.608 1.279 -10.817 157 HD13 LEU 20 HD13 LEU 20 -4.280 1.659 -11.262 158 HD21 LEU 20 HD21 LEU 20 -1.785 -1.293 -11.230 159 HD22 LEU 20 HD22 LEU 20 -2.121 -0.856 -12.933 160 HD23 LEU 20 HD23 LEU 20 -2.873 -2.274 -12.189 161 H GLU 21 HN GLU 21 -5.546 -0.296 -7.722 162 HA GLU 21 HA GLU 21 -5.623 2.577 -7.594 163 HB2 GLU 21 HB2 GLU 21 -7.311 0.543 -6.114 164 HB3 GLU 21 HB3 GLU 21 -7.731 2.223 -6.404 165 HG2 GLU 21 HG2 GLU 21 -7.412 0.024 -8.505 166 HG3 GLU 21 HG3 GLU 21 -8.938 0.708 -7.928 167 H LEU 22 HN LEU 22 -4.540 0.041 -5.405 168 HA LEU 22 HA LEU 22 -4.233 1.660 -3.043 169 HB2 LEU 22 HB2 LEU 22 -3.157 -0.902 -4.164 170 HB3 LEU 22 HB3 LEU 22 -2.172 -0.131 -2.965 171 HG LEU 22 HG LEU 22 -3.751 -0.396 -1.219 172 HD11 LEU 22 HD11 LEU 22 -5.791 0.379 -2.282 173 HD12 LEU 22 HD12 LEU 22 -6.063 -1.215 -1.557 174 HD13 LEU 22 HD13 LEU 22 -5.836 -1.045 -3.311 175 HD21 LEU 22 HD21 LEU 22 -2.657 -2.513 -2.355 176 HD22 LEU 22 HD22 LEU 22 -4.282 -2.848 -2.928 177 HD23 LEU 22 HD23 LEU 22 -3.946 -2.745 -1.178 178 H ARG 23 HN ARG 23 -2.271 1.420 -6.051 179 HA ARG 23 HA ARG 23 0.043 2.587 -4.687 180 HB2 ARG 23 HB2 ARG 23 -0.565 1.537 -7.471 181 HB3 ARG 23 HB3 ARG 23 0.876 2.525 -7.179 182 HG2 ARG 23 HG2 ARG 23 1.799 0.938 -5.652 183 HG3 ARG 23 HG3 ARG 23 0.277 0.045 -5.525 184 HD2 ARG 23 HD2 ARG 23 1.935 -1.119 -6.915 185 HD3 ARG 23 HD3 ARG 23 0.464 -0.725 -7.809 186 HE ARG 23 HE ARG 23 1.892 1.377 -8.533 187 HH11 ARG 23 HH11 ARG 23 3.007 -2.007 -8.369 188 HH12 ARG 23 HH12 ARG 23 4.203 -1.747 -9.622 189 HH21 ARG 23 HH21 ARG 23 3.351 1.630 -10.148 190 HH22 ARG 23 HH22 ARG 23 4.339 0.296 -10.714 191 H LYS 24 HN LYS 24 -2.681 3.610 -6.695 192 HA LYS 24 HA LYS 24 -1.373 6.040 -7.451 193 HB2 LYS 24 HB2 LYS 24 -3.392 6.785 -8.474 194 HB3 LYS 24 HB3 LYS 24 -3.265 5.050 -8.764 195 HG2 LYS 24 HG2 LYS 24 -4.748 4.851 -6.646 196 HG3 LYS 24 HG3 LYS 24 -5.134 6.542 -6.881 197 HD2 LYS 24 HD2 LYS 24 -5.597 4.335 -8.935 198 HD3 LYS 24 HD3 LYS 24 -6.771 4.838 -7.708 199 HE2 LYS 24 HE2 LYS 24 -6.700 7.167 -8.662 200 HE3 LYS 24 HE3 LYS 24 -5.676 6.545 -9.969 201 HZ1 LYS 24 HZ1 LYS 24 -8.457 5.756 -9.351 202 HZ2 LYS 24 HZ2 LYS 24 -7.544 4.903 -10.374 203 HZ3 LYS 24 HZ3 LYS 24 -7.897 6.457 -10.741 204 H GLU 25 HN GLU 25 -3.754 5.149 -4.956 205 HA GLU 25 HA GLU 25 -3.996 7.729 -3.779 206 HB2 GLU 25 HB2 GLU 25 -4.546 4.906 -2.807 207 HB3 GLU 25 HB3 GLU 25 -4.997 6.342 -1.887 208 HG2 GLU 25 HG2 GLU 25 -6.052 5.463 -4.590 209 HG3 GLU 25 HG3 GLU 25 -6.929 5.568 -3.069 210 H PHE 26 HN PHE 26 -1.812 4.986 -3.097 211 HA PHE 26 HA PHE 26 -0.778 5.680 -0.660 212 HB2 PHE 26 HB2 PHE 26 -0.031 3.716 -1.919 213 HB3 PHE 26 HB3 PHE 26 0.724 4.741 -3.140 214 HD1 PHE 26 HD2 PHE 26 0.914 3.565 0.360 215 HD2 PHE 26 HD1 PHE 26 2.896 5.818 -2.740 216 HE1 PHE 26 HE2 PHE 26 2.892 3.739 1.762 217 HE2 PHE 26 HE1 PHE 26 4.916 6.002 -1.317 218 HZ PHE 26 HZ PHE 26 4.952 4.962 0.930 219 H HIS 27 HN HIS 27 0.033 7.093 -3.755 220 HA HIS 27 HA HIS 27 2.164 8.823 -2.814 221 HB2 HIS 27 HB2 HIS 27 1.712 7.564 -5.097 222 HB3 HIS 27 HB3 HIS 27 0.680 8.932 -5.470 223 HD1 HIS 27 HD1 HIS 27 2.118 9.951 -7.360 224 HD2 HIS 27 HD2 HIS 27 4.308 8.870 -3.933 225 HE1 HIS 27 HE1 HIS 27 4.533 10.701 -7.782 226 H CYS 28 HN CYS 28 -1.313 9.010 -3.063 227 HA CYS 28 HA CYS 28 -1.487 11.897 -3.353 228 HB2 CYS 28 HB2 CYS 28 -3.156 10.098 -4.264 229 HB3 CYS 28 HB3 CYS 28 -3.762 10.027 -2.590 230 HG CYS 28 HG CYS 28 -5.410 11.596 -3.641 231 H LYS 29 HN LYS 29 -2.212 9.467 -0.738 232 HA LYS 29 HA LYS 29 -1.632 11.649 1.222 233 HB2 LYS 29 HB2 LYS 29 -3.967 9.717 1.285 234 HB3 LYS 29 HB3 LYS 29 -3.321 10.469 2.737 235 HG2 LYS 29 HG2 LYS 29 -3.754 12.733 1.744 236 HG3 LYS 29 HG3 LYS 29 -4.502 11.931 0.359 237 HD2 LYS 29 HD2 LYS 29 -6.321 12.486 1.768 238 HD3 LYS 29 HD3 LYS 29 -6.045 10.750 2.039 239 HE2 LYS 29 HE2 LYS 29 -5.680 11.078 4.234 240 HE3 LYS 29 HE3 LYS 29 -4.422 12.262 3.902 241 HZ1 LYS 29 HZ1 LYS 29 -6.149 13.965 3.772 242 HZ2 LYS 29 HZ2 LYS 29 -6.121 13.224 5.225 243 HZ3 LYS 29 HZ3 LYS 29 -7.305 12.858 4.146 244 H LYS 30 HN LYS 30 0.118 11.088 2.239 245 HA LYS 30 HA LYS 30 1.269 8.596 2.693 246 HB2 LYS 30 HB2 LYS 30 2.325 9.613 4.692 247 HB3 LYS 30 HB3 LYS 30 2.500 10.570 3.234 248 HG2 LYS 30 HG2 LYS 30 0.194 11.244 5.066 249 HG3 LYS 30 HG3 LYS 30 1.825 11.610 5.628 250 HD2 LYS 30 HD2 LYS 30 2.263 12.976 3.646 251 HD3 LYS 30 HD3 LYS 30 0.640 12.641 3.012 252 HE2 LYS 30 HE2 LYS 30 -0.297 13.670 5.130 253 HE3 LYS 30 HE3 LYS 30 1.352 14.132 5.575 254 HZ1 LYS 30 HZ1 LYS 30 0.339 15.957 4.549 255 HZ2 LYS 30 HZ2 LYS 30 -0.219 15.102 3.273 256 HZ3 LYS 30 HZ3 LYS 30 1.405 15.410 3.444 257 H TYR 31 HN TYR 31 -1.670 9.770 4.245 258 HA TYR 31 HA TYR 31 -1.987 7.159 5.524 259 HB2 TYR 31 HB2 TYR 31 -2.111 9.801 7.044 260 HB3 TYR 31 HB3 TYR 31 -2.887 8.330 7.597 261 HD1 TYR 31 HD2 TYR 31 -1.576 6.362 8.339 262 HD2 TYR 31 HD1 TYR 31 0.349 10.049 7.176 263 HE1 TYR 31 HE2 TYR 31 0.469 5.641 9.462 264 HE2 TYR 31 HE1 TYR 31 2.454 9.277 8.217 265 HH TYR 31 HH TYR 31 2.658 6.195 10.048 266 H LEU 32 HN LEU 32 -3.916 6.551 4.580 267 HA LEU 32 HA LEU 32 -5.833 8.546 3.643 268 HB2 LEU 32 HB2 LEU 32 -5.747 5.523 3.662 269 HB3 LEU 32 HB3 LEU 32 -7.280 6.357 3.467 270 HG LEU 32 HG LEU 32 -6.320 7.680 1.555 271 HD11 LEU 32 HD11 LEU 32 -3.963 7.499 1.997 272 HD12 LEU 32 HD12 LEU 32 -4.293 6.743 0.458 273 HD13 LEU 32 HD13 LEU 32 -4.026 5.704 1.870 274 HD21 LEU 32 HD21 LEU 32 -6.394 4.642 1.267 275 HD22 LEU 32 HD22 LEU 32 -6.349 5.791 -0.088 276 HD23 LEU 32 HD23 LEU 32 -7.714 5.821 0.994 277 H SER 33 HN SER 33 -7.432 9.432 4.783 278 HA SER 33 HA SER 33 -8.018 8.878 7.518 279 HB2 SER 33 HB2 SER 33 -9.737 10.392 5.540 280 HB3 SER 33 HB3 SER 33 -9.570 10.651 7.275 281 HG SER 33 HG SER 33 -7.660 11.579 6.996 282 H LEU 34 HN LEU 34 -10.588 8.636 7.900 283 HA LEU 34 HA LEU 34 -11.088 5.875 7.678 284 HB2 LEU 34 HB2 LEU 34 -12.669 8.325 8.478 285 HB3 LEU 34 HB3 LEU 34 -13.552 6.844 8.217 286 HG LEU 34 HG LEU 34 -12.876 7.432 10.595 287 HD11 LEU 34 HD11 LEU 34 -13.763 5.231 9.934 288 HD12 LEU 34 HD12 LEU 34 -12.578 5.112 11.237 289 HD13 LEU 34 HD13 LEU 34 -12.115 4.687 9.570 290 HD21 LEU 34 HD21 LEU 34 -10.178 6.299 9.759 291 HD22 LEU 34 HD22 LEU 34 -10.706 6.728 11.393 292 HD23 LEU 34 HD23 LEU 34 -10.510 7.999 10.177 293 H THR 35 HN THR 35 -12.701 8.595 6.014 294 HA THR 35 HA THR 35 -14.333 6.863 4.390 295 HB THR 35 HB THR 35 -13.633 9.813 4.111 296 HG1 THR 35 HG1 THR 35 -14.624 9.243 6.081 297 HG21 THR 35 HG21 THR 35 -15.858 9.910 2.908 298 HG22 THR 35 HG22 THR 35 -15.922 8.135 2.946 299 HG23 THR 35 HG23 THR 35 -14.643 8.970 2.032 300 H GLU 36 HN GLU 36 -11.235 8.605 3.877 301 HA GLU 36 HA GLU 36 -11.039 8.346 1.143 302 HB2 GLU 36 HB2 GLU 36 -8.609 8.023 2.923 303 HB3 GLU 36 HB3 GLU 36 -8.653 8.672 1.321 304 HG2 GLU 36 HG2 GLU 36 -10.191 10.145 3.472 305 HG3 GLU 36 HG3 GLU 36 -8.444 10.092 3.594 306 H ARG 37 HN ARG 37 -9.591 6.021 3.565 307 HA ARG 37 HA ARG 37 -9.007 4.155 1.464 308 HB2 ARG 37 HB2 ARG 37 -8.655 2.492 3.167 309 HB3 ARG 37 HB3 ARG 37 -7.687 3.941 3.225 310 HG2 ARG 37 HG2 ARG 37 -8.026 3.087 5.344 311 HG3 ARG 37 HG3 ARG 37 -8.777 4.670 5.232 312 HD2 ARG 37 HD2 ARG 37 -10.993 3.519 5.016 313 HD3 ARG 37 HD3 ARG 37 -10.166 1.960 5.164 314 HE ARG 37 HE ARG 37 -9.423 3.042 7.454 315 HH11 ARG 37 HH11 ARG 37 -12.623 3.520 6.067 316 HH12 ARG 37 HH12 ARG 37 -13.499 2.524 7.185 317 HH21 ARG 37 HH21 ARG 37 -10.635 2.311 9.365 318 HH22 ARG 37 HH22 ARG 37 -12.371 2.107 9.229 319 H SER 38 HN SER 38 -11.717 4.520 3.429 320 HA SER 38 HA SER 38 -13.025 2.072 3.239 321 HB2 SER 38 HB2 SER 38 -13.865 4.036 4.543 322 HB3 SER 38 HB3 SER 38 -14.505 4.730 3.044 323 HG SER 38 HG SER 38 -15.738 3.210 4.645 324 H GLN 39 HN GLN 39 -12.967 4.628 0.738 325 HA GLN 39 HA GLN 39 -14.955 3.491 -0.982 326 HB2 GLN 39 HB2 GLN 39 -12.598 5.324 -1.560 327 HB3 GLN 39 HB3 GLN 39 -13.985 5.087 -2.617 328 HG2 GLN 39 HG2 GLN 39 -15.441 6.270 -1.196 329 HG3 GLN 39 HG3 GLN 39 -14.403 6.122 0.216 330 HE21 GLN 39 HE21 GLN 39 -11.924 7.035 -0.468 331 HE22 GLN 39 HE22 GLN 39 -12.036 8.637 -1.169 332 H ILE 40 HN ILE 40 -11.362 3.535 -1.067 333 HA ILE 40 HA ILE 40 -11.043 1.669 -3.157 334 HB ILE 40 HB ILE 40 -9.223 2.742 -0.981 335 HG12 ILE 40 HG12 ILE 40 -8.519 3.807 -3.527 336 HG13 ILE 40 HG13 ILE 40 -10.290 3.750 -3.550 337 HG21 ILE 40 HG21 ILE 40 -8.317 1.287 -3.478 338 HG22 ILE 40 HG22 ILE 40 -7.281 2.215 -2.363 339 HG23 ILE 40 HG23 ILE 40 -8.102 0.753 -1.796 340 HD11 ILE 40 HD11 ILE 40 -10.462 5.008 -1.570 341 HD12 ILE 40 HD12 ILE 40 -8.700 5.029 -1.318 342 HD13 ILE 40 HD13 ILE 40 -9.427 5.884 -2.701 343 H ALA 41 HN ALA 41 -12.155 0.971 -0.071 344 HA ALA 41 HA ALA 41 -11.154 -1.866 -0.126 345 HB1 ALA 41 HB1 ALA 41 -12.704 -0.255 1.895 346 HB2 ALA 41 HB2 ALA 41 -13.077 -1.976 1.751 347 HB3 ALA 41 HB3 ALA 41 -11.436 -1.481 2.114 348 H HIS 42 HN HIS 42 -14.189 -0.016 -0.305 349 HA HIS 42 HA HIS 42 -15.863 -2.207 -1.097 350 HB2 HIS 42 HB2 HIS 42 -16.841 -0.369 -0.015 351 HB3 HIS 42 HB3 HIS 42 -16.053 0.802 -1.078 352 HD1 HIS 42 HD1 HIS 42 -18.862 -1.889 -1.368 353 HD2 HIS 42 HD2 HIS 42 -17.222 1.550 -3.141 354 HE1 HIS 42 HE1 HIS 42 -20.457 -1.236 -3.251 355 H ALA 43 HN ALA 43 -14.057 0.266 -2.942 356 HA ALA 43 HA ALA 43 -15.050 -0.481 -5.534 357 HB1 ALA 43 HB1 ALA 43 -13.229 1.020 -6.295 358 HB2 ALA 43 HB2 ALA 43 -14.175 1.775 -4.997 359 HB3 ALA 43 HB3 ALA 43 -12.571 1.073 -4.660 360 H LEU 44 HN LEU 44 -12.849 -2.115 -3.469 361 HA LEU 44 HA LEU 44 -11.705 -3.606 -5.775 362 HB2 LEU 44 HB2 LEU 44 -10.389 -2.921 -3.118 363 HB3 LEU 44 HB3 LEU 44 -9.707 -3.969 -4.354 364 HG LEU 44 HG LEU 44 -10.197 -0.983 -4.685 365 HD11 LEU 44 HD11 LEU 44 -7.698 -2.685 -4.309 366 HD12 LEU 44 HD12 LEU 44 -8.395 -1.572 -3.143 367 HD13 LEU 44 HD13 LEU 44 -7.721 -0.944 -4.643 368 HD21 LEU 44 HD21 LEU 44 -8.712 -1.462 -6.779 369 HD22 LEU 44 HD22 LEU 44 -10.437 -1.817 -6.869 370 HD23 LEU 44 HD23 LEU 44 -9.299 -3.136 -6.625 371 H LYS 45 HN LYS 45 -14.123 -3.926 -3.768 372 HA LYS 45 HA LYS 45 -15.140 -5.640 -2.700 373 HB2 LYS 45 HB2 LYS 45 -13.944 -6.560 -5.074 374 HB3 LYS 45 HB3 LYS 45 -13.545 -7.811 -3.917 375 HG2 LYS 45 HG2 LYS 45 -15.971 -7.966 -3.315 376 HG3 LYS 45 HG3 LYS 45 -16.314 -6.690 -4.513 377 HD2 LYS 45 HD2 LYS 45 -15.264 -8.164 -6.286 378 HD3 LYS 45 HD3 LYS 45 -15.175 -9.460 -5.086 379 HE2 LYS 45 HE2 LYS 45 -17.691 -8.061 -6.098 380 HE3 LYS 45 HE3 LYS 45 -17.171 -9.706 -6.484 381 HZ1 LYS 45 HZ1 LYS 45 -18.057 -8.683 -3.870 382 HZ2 LYS 45 HZ2 LYS 45 -17.363 -10.189 -4.087 383 HZ3 LYS 45 HZ3 LYS 45 -18.792 -9.824 -4.805 384 H LEU 46 HN LEU 46 -12.622 -4.613 -1.422 385 HA LEU 46 HA LEU 46 -11.768 -6.964 0.243 386 HB2 LEU 46 HB2 LEU 46 -10.458 -4.358 -0.579 387 HB3 LEU 46 HB3 LEU 46 -9.929 -5.160 0.894 388 HG LEU 46 HG LEU 46 -10.055 -6.701 -1.715 389 HD11 LEU 46 HD11 LEU 46 -8.674 -4.792 -2.234 390 HD12 LEU 46 HD12 LEU 46 -7.589 -6.163 -1.931 391 HD13 LEU 46 HD13 LEU 46 -7.824 -4.916 -0.684 392 HD21 LEU 46 HD21 LEU 46 -9.742 -8.034 0.331 393 HD22 LEU 46 HD22 LEU 46 -8.364 -7.017 0.809 394 HD23 LEU 46 HD23 LEU 46 -8.263 -8.033 -0.637 395 H SER 47 HN SER 47 -11.413 -6.475 2.604 396 HA SER 47 HA SER 47 -13.507 -4.742 3.654 397 HB2 SER 47 HB2 SER 47 -11.768 -5.785 5.696 398 HB3 SER 47 HB3 SER 47 -13.457 -6.161 5.364 399 HG SER 47 HG SER 47 -12.389 -8.022 5.231 400 H GLU 48 HN GLU 48 -13.062 -3.066 5.251 401 HA GLU 48 HA GLU 48 -11.160 -1.191 4.451 402 HB2 GLU 48 HB2 GLU 48 -12.487 -1.597 7.131 403 HB3 GLU 48 HB3 GLU 48 -11.553 -0.155 6.738 404 HG2 GLU 48 HG2 GLU 48 -13.079 0.627 5.142 405 HG3 GLU 48 HG3 GLU 48 -13.885 -0.923 4.979 406 H VAL 49 HN VAL 49 -10.984 -3.599 7.053 407 HA VAL 49 HA VAL 49 -8.521 -2.693 8.149 408 HB VAL 49 HB VAL 49 -9.890 -5.423 8.218 409 HG11 VAL 49 HG11 VAL 49 -7.455 -4.391 9.726 410 HG12 VAL 49 HG12 VAL 49 -8.486 -5.672 10.374 411 HG13 VAL 49 HG13 VAL 49 -7.663 -5.894 8.827 412 HG21 VAL 49 HG21 VAL 49 -10.646 -4.744 10.453 413 HG22 VAL 49 HG22 VAL 49 -9.859 -3.159 10.268 414 HG23 VAL 49 HG23 VAL 49 -11.240 -3.611 9.243 415 H GLN 50 HN GLN 50 -9.223 -5.032 5.484 416 HA GLN 50 HA GLN 50 -6.542 -5.947 5.230 417 HB2 GLN 50 HB2 GLN 50 -8.676 -5.623 3.062 418 HB3 GLN 50 HB3 GLN 50 -7.269 -6.658 2.971 419 HG2 GLN 50 HG2 GLN 50 -9.523 -7.038 4.981 420 HG3 GLN 50 HG3 GLN 50 -9.443 -7.820 3.409 421 HE21 GLN 50 HE21 GLN 50 -9.698 -9.524 5.519 422 HE22 GLN 50 HE22 GLN 50 -8.195 -10.362 5.741 423 H VAL 51 HN VAL 51 -8.321 -3.252 3.584 424 HA VAL 51 HA VAL 51 -6.095 -2.333 2.072 425 HB VAL 51 HB VAL 51 -8.449 -0.763 3.184 426 HG11 VAL 51 HG11 VAL 51 -6.789 0.842 2.480 427 HG12 VAL 51 HG12 VAL 51 -6.483 -0.087 0.973 428 HG13 VAL 51 HG13 VAL 51 -8.020 0.785 1.231 429 HG21 VAL 51 HG21 VAL 51 -9.361 -1.059 0.860 430 HG22 VAL 51 HG22 VAL 51 -8.045 -2.180 0.504 431 HG23 VAL 51 HG23 VAL 51 -9.247 -2.584 1.747 432 H LYS 52 HN LYS 52 -7.194 -1.341 5.414 433 HA LYS 52 HA LYS 52 -5.227 0.674 5.602 434 HB2 LYS 52 HB2 LYS 52 -5.907 1.023 7.728 435 HB3 LYS 52 HB3 LYS 52 -7.293 0.107 7.169 436 HG2 LYS 52 HG2 LYS 52 -6.243 -1.913 8.247 437 HG3 LYS 52 HG3 LYS 52 -4.959 -0.896 8.865 438 HD2 LYS 52 HD2 LYS 52 -6.377 0.251 10.340 439 HD3 LYS 52 HD3 LYS 52 -7.852 -0.197 9.454 440 HE2 LYS 52 HE2 LYS 52 -7.691 -2.483 10.114 441 HE3 LYS 52 HE3 LYS 52 -6.080 -2.249 10.805 442 HZ1 LYS 52 HZ1 LYS 52 -7.741 -2.357 12.514 443 HZ2 LYS 52 HZ2 LYS 52 -8.551 -1.054 11.896 444 HZ3 LYS 52 HZ3 LYS 52 -7.048 -0.883 12.506 445 H ILE 53 HN ILE 53 -4.972 -2.816 6.041 446 HA ILE 53 HA ILE 53 -2.364 -2.648 7.292 447 HB ILE 53 HB ILE 53 -3.978 -4.969 6.183 448 HG12 ILE 53 HG12 ILE 53 -3.268 -4.268 9.069 449 HG13 ILE 53 HG13 ILE 53 -4.734 -3.714 8.340 450 HG21 ILE 53 HG21 ILE 53 -1.311 -4.951 7.683 451 HG22 ILE 53 HG22 ILE 53 -2.296 -6.423 7.397 452 HG23 ILE 53 HG23 ILE 53 -1.600 -5.564 6.049 453 HD11 ILE 53 HD11 ILE 53 -5.209 -5.669 9.660 454 HD12 ILE 53 HD12 ILE 53 -5.466 -6.051 7.944 455 HD13 ILE 53 HD13 ILE 53 -4.012 -6.626 8.784 456 H TRP 54 HN TRP 54 -3.563 -3.182 3.903 457 HA TRP 54 HA TRP 54 -0.949 -3.795 2.911 458 HB2 TRP 54 HB2 TRP 54 -3.100 -4.103 1.652 459 HB3 TRP 54 HB3 TRP 54 -3.139 -2.358 1.363 460 HD1 TRP 54 HD1 TRP 54 -1.599 -5.553 0.187 461 HE1 TRP 54 HE1 TRP 54 -0.008 -5.168 -1.776 462 HE3 TRP 54 HE3 TRP 54 -1.495 -0.429 0.178 463 HZ2 TRP 54 HZ2 TRP 54 1.193 -2.935 -3.164 464 HZ3 TRP 54 HZ3 TRP 54 -0.201 0.791 -1.539 465 HH2 TRP 54 HH2 TRP 54 1.106 -0.486 -3.249 466 H PHE 55 HN PHE 55 -2.671 -0.624 2.978 467 HA PHE 55 HA PHE 55 -0.568 0.862 1.797 468 HB2 PHE 55 HB2 PHE 55 -2.783 1.636 3.694 469 HB3 PHE 55 HB3 PHE 55 -1.557 2.798 3.268 470 HD1 PHE 55 HD2 PHE 55 -4.119 0.546 1.646 471 HD2 PHE 55 HD1 PHE 55 -1.716 4.123 1.318 472 HE1 PHE 55 HE2 PHE 55 -5.550 1.406 -0.217 473 HE2 PHE 55 HE1 PHE 55 -3.142 4.850 -0.598 474 HZ PHE 55 HZ PHE 55 -5.056 3.481 -1.310 475 H GLN 56 HN GLN 56 -1.108 0.232 5.309 476 HA GLN 56 HA GLN 56 1.135 1.753 6.134 477 HB2 GLN 56 HB2 GLN 56 1.025 0.623 8.204 478 HB3 GLN 56 HB3 GLN 56 -0.652 1.007 7.679 479 HG2 GLN 56 HG2 GLN 56 -0.861 -1.280 6.951 480 HG3 GLN 56 HG3 GLN 56 0.739 -1.654 7.626 481 HE21 GLN 56 HE21 GLN 56 -2.547 -0.590 8.380 482 HE22 GLN 56 HE22 GLN 56 -2.582 -1.435 9.945 483 H ASN 57 HN ASN 57 0.933 -1.657 5.055 484 HA ASN 57 HA ASN 57 3.578 -2.376 5.953 485 HB2 ASN 57 HB2 ASN 57 1.437 -3.590 4.178 486 HB3 ASN 57 HB3 ASN 57 3.062 -4.154 3.989 487 HD21 ASN 57 HD21 ASN 57 0.603 -3.624 6.540 488 HD22 ASN 57 HD22 ASN 57 1.189 -4.875 7.630 489 H GLU 58 HN GLU 58 2.080 -1.016 3.095 490 HA GLU 58 HA GLU 58 4.396 -1.397 1.405 491 HB2 GLU 58 HB2 GLU 58 1.918 -1.081 0.725 492 HB3 GLU 58 HB3 GLU 58 2.246 0.642 0.820 493 HG2 GLU 58 HG2 GLU 58 2.715 0.116 -1.443 494 HG3 GLU 58 HG3 GLU 58 4.292 0.205 -0.702 495 H ARG 59 HN ARG 59 3.077 1.371 3.265 496 HA ARG 59 HA ARG 59 4.920 3.327 2.460 497 HB2 ARG 59 HB2 ARG 59 2.856 3.314 4.177 498 HB3 ARG 59 HB3 ARG 59 4.124 3.142 5.372 499 HG2 ARG 59 HG2 ARG 59 4.086 5.355 3.295 500 HG3 ARG 59 HG3 ARG 59 3.219 5.477 4.815 501 HD2 ARG 59 HD2 ARG 59 5.259 5.360 6.106 502 HD3 ARG 59 HD3 ARG 59 6.229 5.065 4.642 503 HE ARG 59 HE ARG 59 5.083 7.298 3.880 504 HH11 ARG 59 HH11 ARG 59 6.551 6.763 7.117 505 HH12 ARG 59 HH12 ARG 59 6.795 8.456 7.363 506 HH21 ARG 59 HH21 ARG 59 5.320 9.425 4.278 507 HH22 ARG 59 HH22 ARG 59 5.797 10.012 5.856 508 H ALA 60 HN ALA 60 5.369 0.716 4.729 509 HA ALA 60 HA ALA 60 7.936 1.789 5.694 510 HB1 ALA 60 HB1 ALA 60 6.486 0.452 7.214 511 HB2 ALA 60 HB2 ALA 60 6.733 -0.970 6.173 512 HB3 ALA 60 HB3 ALA 60 8.115 -0.220 7.020 513 H LYS 61 HN LYS 61 6.809 -0.668 3.356 514 HA LYS 61 HA LYS 61 9.362 -1.734 2.787 515 HB2 LYS 61 HB2 LYS 61 7.586 -3.107 2.197 516 HB3 LYS 61 HB3 LYS 61 6.558 -1.758 1.710 517 HG2 LYS 61 HG2 LYS 61 7.733 -1.447 -0.306 518 HG3 LYS 61 HG3 LYS 61 8.901 -2.743 0.047 519 HD2 LYS 61 HD2 LYS 61 5.898 -3.215 0.015 520 HD3 LYS 61 HD3 LYS 61 6.814 -3.204 -1.497 521 HE2 LYS 61 HE2 LYS 61 8.317 -4.978 -0.516 522 HE3 LYS 61 HE3 LYS 61 7.277 -5.019 0.916 523 HZ1 LYS 61 HZ1 LYS 61 5.441 -5.662 -0.530 524 HZ2 LYS 61 HZ2 LYS 61 6.709 -6.719 -0.588 525 HZ3 LYS 61 HZ3 LYS 61 6.457 -5.659 -1.841 526 H TRP 62 HN TRP 62 7.350 0.849 1.260 527 HA TRP 62 HA TRP 62 9.286 1.381 -0.737 528 HB2 TRP 62 HB2 TRP 62 6.722 2.001 -0.544 529 HB3 TRP 62 HB3 TRP 62 7.338 3.492 0.164 530 HD1 TRP 62 HD1 TRP 62 6.811 1.690 -3.069 531 HE1 TRP 62 HE1 TRP 62 7.659 3.083 -5.076 532 HE3 TRP 62 HE3 TRP 62 9.277 5.366 -0.522 533 HZ2 TRP 62 HZ2 TRP 62 9.218 5.451 -5.498 534 HZ3 TRP 62 HZ3 TRP 62 10.398 7.208 -1.727 535 HH2 TRP 62 HH2 TRP 62 10.384 7.244 -4.230 536 H LYS 63 HN LYS 63 8.908 2.637 2.622 537 HA LYS 63 HA LYS 63 11.049 4.556 2.226 538 HB2 LYS 63 HB2 LYS 63 9.927 3.284 4.751 539 HB3 LYS 63 HB3 LYS 63 11.298 4.413 4.755 540 HG2 LYS 63 HG2 LYS 63 9.659 5.900 3.217 541 HG3 LYS 63 HG3 LYS 63 8.425 4.936 3.995 542 HD2 LYS 63 HD2 LYS 63 8.454 6.562 5.533 543 HD3 LYS 63 HD3 LYS 63 9.842 5.696 6.206 544 HE2 LYS 63 HE2 LYS 63 11.343 7.156 4.790 545 HE3 LYS 63 HE3 LYS 63 9.908 7.992 4.180 546 HZ1 LYS 63 HZ1 LYS 63 10.790 9.289 5.899 547 HZ2 LYS 63 HZ2 LYS 63 10.960 7.992 6.921 548 HZ3 LYS 63 HZ3 LYS 63 9.471 8.599 6.563 549 H ARG 64 HN ARG 64 11.327 1.162 2.007 550 HA ARG 64 HA ARG 64 14.224 1.256 2.672 551 HB2 ARG 64 HB2 ARG 64 12.491 -1.095 1.853 552 HB3 ARG 64 HB3 ARG 64 14.156 -1.168 2.370 553 HG2 ARG 64 HG2 ARG 64 13.672 -0.749 4.634 554 HG3 ARG 64 HG3 ARG 64 12.149 0.040 4.268 555 HD2 ARG 64 HD2 ARG 64 11.281 -1.834 5.093 556 HD3 ARG 64 HD3 ARG 64 11.388 -2.347 3.415 557 HE ARG 64 HE ARG 64 13.785 -3.011 4.919 558 HH11 ARG 64 HH11 ARG 64 10.387 -4.117 4.954 559 HH12 ARG 64 HH12 ARG 64 10.867 -5.774 5.174 560 HH21 ARG 64 HH21 ARG 64 14.269 -5.096 5.471 561 HH22 ARG 64 HH22 ARG 64 13.075 -6.370 5.420 562 H ILE 65 HN ILE 65 12.453 2.347 0.181 563 HA ILE 65 HA ILE 65 14.330 1.475 -1.954 564 HB ILE 65 HB ILE 65 11.448 2.467 -2.169 565 HG12 ILE 65 HG12 ILE 65 12.603 -0.345 -2.358 566 HG13 ILE 65 HG13 ILE 65 11.573 0.308 -1.081 567 HG21 ILE 65 HG21 ILE 65 11.629 1.639 -4.553 568 HG22 ILE 65 HG22 ILE 65 12.561 3.064 -4.189 569 HG23 ILE 65 HG23 ILE 65 13.392 1.505 -4.286 570 HD11 ILE 65 HD11 ILE 65 10.751 -0.323 -3.921 571 HD12 ILE 65 HD12 ILE 65 10.176 -1.032 -2.408 572 HD13 ILE 65 HD13 ILE 65 9.758 0.650 -2.810 573 H LYS 66 HN LYS 66 13.416 4.077 -0.004 574 HA LYS 66 HA LYS 66 14.109 6.255 -1.847 575 HB2 LYS 66 HB2 LYS 66 14.060 7.750 0.039 576 HB3 LYS 66 HB3 LYS 66 12.599 6.781 -0.086 577 HG2 LYS 66 HG2 LYS 66 12.795 6.271 2.090 578 HG3 LYS 66 HG3 LYS 66 14.205 5.299 1.678 579 HD2 LYS 66 HD2 LYS 66 14.946 6.729 3.395 580 HD3 LYS 66 HD3 LYS 66 15.591 7.440 1.911 581 HE2 LYS 66 HE2 LYS 66 13.700 9.055 1.878 582 HE3 LYS 66 HE3 LYS 66 13.122 8.387 3.414 583 HZ1 LYS 66 HZ1 LYS 66 15.233 9.056 4.410 584 HZ2 LYS 66 HZ2 LYS 66 14.491 10.360 3.693 585 HZ3 LYS 66 HZ3 LYS 66 15.770 9.619 2.976 586 H ALA 67 HN ALA 67 15.952 5.133 -2.708 587 HA ALA 67 HA ALA 67 18.167 4.384 -1.271 588 HB1 ALA 67 HB1 ALA 67 19.400 4.420 -3.366 589 HB2 ALA 67 HB2 ALA 67 17.756 3.824 -3.654 590 HB3 ALA 67 HB3 ALA 67 18.191 5.491 -4.114 591 H GLY 68 HN GLY 68 17.518 7.586 -2.597 592 HA2 GLY 68 HA1 GLY 68 18.114 9.557 -1.393 593 HA3 GLY 68 HA2 GLY 68 19.593 8.776 -0.815 594 H ASN 69 HN ASN 69 19.947 7.682 -3.874 595 HA ASN 69 HA ASN 69 20.798 10.068 -5.202 596 HB2 ASN 69 HB2 ASN 69 22.618 8.183 -3.845 597 HB3 ASN 69 HB3 ASN 69 23.084 8.766 -5.437 598 HD21 ASN 69 HD21 ASN 69 23.489 11.049 -5.755 599 HD22 ASN 69 HD22 ASN 69 23.935 12.051 -4.390 600 H VAL 70 HN VAL 70 21.030 9.560 -7.278 601 HA VAL 70 HA VAL 70 20.438 6.903 -8.415 602 HB VAL 70 HB VAL 70 21.451 9.462 -9.755 603 HG11 VAL 70 HG11 VAL 70 20.666 8.352 -11.820 604 HG12 VAL 70 HG12 VAL 70 21.966 7.428 -11.047 605 HG13 VAL 70 HG13 VAL 70 20.281 6.886 -10.891 606 HG21 VAL 70 HG21 VAL 70 19.229 9.918 -8.887 607 HG22 VAL 70 HG22 VAL 70 19.100 9.626 -10.620 608 HG23 VAL 70 HG23 VAL 70 18.636 8.346 -9.483 609 H SER 71 HN SER 71 21.955 5.848 -7.087 610 HA SER 71 HA SER 71 24.793 6.036 -7.939 611 HB2 SER 71 HB2 SER 71 23.930 5.324 -5.506 612 HB3 SER 71 HB3 SER 71 23.550 3.789 -6.312 613 HG SER 71 HG SER 71 25.793 3.854 -7.057
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