NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636376 | 6i2o | 34325 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 6 HT1 HIS 6 -19.904 -7.267 -4.402 2 H2 HIS 6 HT2 HIS 6 -21.483 -6.677 -4.553 3 H3 HIS 6 HT3 HIS 6 -20.409 -5.938 -3.478 4 HA HIS 6 HA HIS 6 -20.207 -5.983 -6.432 5 HB2 HIS 6 HB2 HIS 6 -20.884 -3.814 -4.450 6 HB3 HIS 6 HB1 HIS 6 -20.305 -3.445 -6.066 7 HD1 HIS 6 HD1 HIS 6 -21.985 -3.464 -7.916 8 HD2 HIS 6 HD2 HIS 6 -23.445 -5.180 -4.425 9 HE1 HIS 6 HE1 HIS 6 -24.442 -3.809 -8.310 10 HE2 HIS 6 HE2 HIS 6 -25.332 -4.672 -6.117 11 H GLN 7 HN GLN 7 -18.793 -4.549 -3.461 12 HA GLN 7 HA GLN 7 -16.438 -3.739 -4.788 13 HB2 GLN 7 HB2 GLN 7 -17.205 -2.769 -2.645 14 HB3 GLN 7 HB1 GLN 7 -16.777 -4.273 -1.857 15 HG2 GLN 7 HG2 GLN 7 -14.990 -2.793 -1.440 16 HG3 GLN 7 HG1 GLN 7 -14.418 -3.913 -2.674 17 HE21 GLN 7 HE21 GLN 7 -16.658 -1.321 -3.369 18 HE22 GLN 7 HE22 GLN 7 -15.556 -0.372 -4.303 19 H ASP 8 HN ASP 8 -17.476 -6.797 -3.701 20 HA ASP 8 HA ASP 8 -15.078 -8.022 -3.034 21 HB2 ASP 8 HB2 ASP 8 -16.159 -10.141 -3.771 22 HB3 ASP 8 HB1 ASP 8 -17.175 -9.167 -2.715 23 H ASN 9 HN ASN 9 -16.467 -7.446 -6.227 24 HA ASN 9 HA ASN 9 -14.088 -8.506 -7.530 25 HB2 ASN 9 HB2 ASN 9 -16.757 -7.528 -8.410 26 HB3 ASN 9 HB1 ASN 9 -15.421 -7.354 -9.547 27 HD21 ASN 9 HD21 ASN 9 -17.373 -9.623 -7.747 28 HD22 ASN 9 HD22 ASN 9 -16.951 -11.018 -8.679 29 H ALA 10 HN ALA 10 -15.457 -5.478 -6.583 30 HA ALA 10 HA ALA 10 -13.947 -3.836 -8.369 31 HB1 ALA 10 HB1 ALA 10 -14.819 -1.988 -7.196 32 HB2 ALA 10 HB2 ALA 10 -15.164 -2.961 -5.763 33 HB3 ALA 10 HB3 ALA 10 -16.106 -3.200 -7.243 34 H ARG 11 HN ARG 11 -13.597 -4.832 -5.023 35 HA ARG 11 HA ARG 11 -11.544 -3.290 -4.115 36 HB2 ARG 11 HB2 ARG 11 -10.903 -5.237 -2.723 37 HB3 ARG 11 HB1 ARG 11 -12.622 -4.921 -2.692 38 HG2 ARG 11 HG2 ARG 11 -12.743 -7.149 -2.996 39 HG3 ARG 11 HG1 ARG 11 -12.515 -6.707 -4.685 40 HD2 ARG 11 HD2 ARG 11 -10.045 -7.011 -4.325 41 HD3 ARG 11 HD1 ARG 11 -10.440 -7.696 -2.750 42 HE ARG 11 HE ARG 11 -11.934 -9.052 -4.683 43 HH11 ARG 11 HH11 ARG 11 -8.601 -8.642 -3.696 44 HH12 ARG 11 HH12 ARG 11 -8.109 -10.214 -4.232 45 HH21 ARG 11 HH21 ARG 11 -11.288 -11.116 -5.420 46 HH22 ARG 11 HH22 ARG 11 -9.641 -11.621 -5.223 47 H LYS 12 HN LYS 12 -11.364 -6.131 -6.130 48 HA LYS 12 HA LYS 12 -8.599 -6.341 -6.277 49 HB2 LYS 12 HB2 LYS 12 -10.273 -8.059 -7.083 50 HB3 LYS 12 HB1 LYS 12 -10.537 -7.028 -8.486 51 HG2 LYS 12 HG2 LYS 12 -8.704 -7.744 -9.485 52 HG3 LYS 12 HG1 LYS 12 -7.725 -7.478 -8.050 53 HD2 LYS 12 HD2 LYS 12 -8.842 -9.657 -7.204 54 HD3 LYS 12 HD1 LYS 12 -9.163 -9.931 -8.923 55 HE2 LYS 12 HE2 LYS 12 -6.469 -9.313 -7.730 56 HE3 LYS 12 HE1 LYS 12 -7.029 -10.917 -8.179 57 HZ1 LYS 12 HZ1 LYS 12 -5.658 -10.013 -9.916 58 HZ2 LYS 12 HZ2 LYS 12 -6.616 -8.622 -10.014 59 HZ3 LYS 12 HZ3 LYS 12 -7.250 -10.123 -10.478 60 H SER 13 HN SER 13 -10.889 -4.677 -8.442 61 HA SER 13 HA SER 13 -8.743 -3.899 -10.186 62 HB2 SER 13 HB2 SER 13 -10.937 -4.409 -11.103 63 HB3 SER 13 HB1 SER 13 -11.684 -3.144 -10.120 64 HG SER 13 HG SER 13 -9.663 -2.671 -12.068 65 H ARG 14 HN ARG 14 -10.877 -2.176 -7.906 66 HA ARG 14 HA ARG 14 -9.967 0.400 -8.589 67 HB2 ARG 14 HB2 ARG 14 -11.062 1.166 -6.544 68 HB3 ARG 14 HB1 ARG 14 -12.097 0.058 -7.433 69 HG2 ARG 14 HG2 ARG 14 -12.331 -1.150 -5.585 70 HG3 ARG 14 HG1 ARG 14 -10.599 -1.495 -5.643 71 HD2 ARG 14 HD2 ARG 14 -11.650 -0.423 -3.524 72 HD3 ARG 14 HD1 ARG 14 -10.081 0.123 -4.102 73 HE ARG 14 HE ARG 14 -11.166 2.092 -4.986 74 HH11 ARG 14 HH11 ARG 14 -13.244 0.084 -3.015 75 HH12 ARG 14 HH12 ARG 14 -14.241 1.407 -2.496 76 HH21 ARG 14 HH21 ARG 14 -12.502 3.830 -4.334 77 HH22 ARG 14 HH22 ARG 14 -13.834 3.530 -3.262 78 H ILE 15 HN ILE 15 -8.781 -1.986 -6.329 79 HA ILE 15 HA ILE 15 -6.953 -0.111 -5.117 80 HB ILE 15 HB ILE 15 -7.226 -3.097 -4.885 81 HG12 ILE 15 HG12 ILE 15 -7.932 -0.932 -2.889 82 HG13 ILE 15 HG11 ILE 15 -9.092 -1.594 -4.035 83 HG21 ILE 15 HG21 ILE 15 -5.585 -1.185 -3.210 84 HG22 ILE 15 HG22 ILE 15 -4.927 -2.291 -4.418 85 HG23 ILE 15 HG23 ILE 15 -5.723 -2.933 -2.976 86 HD11 ILE 15 HD11 ILE 15 -7.609 -3.168 -1.959 87 HD12 ILE 15 HD12 ILE 15 -8.832 -3.785 -3.083 88 HD13 ILE 15 HD13 ILE 15 -9.278 -2.607 -1.838 89 H GLN 16 HN GLN 16 -6.886 -2.888 -7.274 90 HA GLN 16 HA GLN 16 -4.234 -3.324 -7.686 91 HB2 GLN 16 HB2 GLN 16 -6.638 -4.007 -8.904 92 HB3 GLN 16 HB1 GLN 16 -5.626 -3.373 -10.195 93 HG2 GLN 16 HG2 GLN 16 -3.845 -4.947 -9.488 94 HG3 GLN 16 HG1 GLN 16 -4.985 -5.619 -8.322 95 HE21 GLN 16 HE21 GLN 16 -4.186 -5.311 -11.690 96 HE22 GLN 16 HE22 GLN 16 -5.246 -6.555 -12.256 97 H SER 17 HN SER 17 -6.227 -0.846 -9.255 98 HA SER 17 HA SER 17 -4.420 0.067 -11.140 99 HB2 SER 17 HB2 SER 17 -6.353 1.755 -9.548 100 HB3 SER 17 HB1 SER 17 -5.666 2.157 -11.122 101 HG SER 17 HG SER 17 -6.773 -0.243 -11.321 102 H GLU 18 HN GLU 18 -4.855 1.162 -7.821 103 HA GLU 18 HA GLU 18 -2.564 2.900 -8.051 104 HB2 GLU 18 HB2 GLU 18 -4.228 2.429 -5.611 105 HB3 GLU 18 HB1 GLU 18 -3.245 3.832 -6.015 106 HG2 GLU 18 HG2 GLU 18 -5.553 2.982 -7.693 107 HG3 GLU 18 HG1 GLU 18 -5.745 4.041 -6.295 108 H HIS 19 HN HIS 19 -3.351 -0.201 -6.688 109 HA HIS 19 HA HIS 19 -1.439 -0.524 -4.727 110 HB2 HIS 19 HB2 HIS 19 -2.836 -2.342 -4.836 111 HB3 HIS 19 HB1 HIS 19 -2.843 -2.403 -6.588 112 HD1 HIS 19 HD1 HIS 19 -0.331 -3.111 -3.791 113 HD2 HIS 19 HD2 HIS 19 -1.493 -4.522 -7.517 114 HE1 HIS 19 HE1 HIS 19 1.077 -5.146 -4.207 115 HE2 HIS 19 HE2 HIS 19 0.242 -6.076 -6.391 116 H ARG 20 HN ARG 20 -1.018 -1.108 -8.219 117 HA ARG 20 HA ARG 20 1.686 -1.809 -8.164 118 HB2 ARG 20 HB2 ARG 20 0.429 -0.098 -10.301 119 HB3 ARG 20 HB1 ARG 20 1.765 -1.226 -10.470 120 HG2 ARG 20 HG2 ARG 20 0.068 -3.030 -9.803 121 HG3 ARG 20 HG1 ARG 20 -1.153 -1.803 -10.157 122 HD2 ARG 20 HD2 ARG 20 0.970 -2.799 -12.034 123 HD3 ARG 20 HD1 ARG 20 -0.745 -3.198 -12.104 124 HE ARG 20 HE ARG 20 -1.022 -0.672 -12.416 125 HH11 ARG 20 HH11 ARG 20 1.714 -2.513 -13.584 126 HH12 ARG 20 HH12 ARG 20 2.067 -1.408 -14.872 127 HH21 ARG 20 HH21 ARG 20 -0.569 0.780 -14.118 128 HH22 ARG 20 HH22 ARG 20 0.766 0.461 -15.183 129 H GLU 21 HN GLU 21 0.130 1.322 -8.259 130 HA GLU 21 HA GLU 21 2.345 2.977 -8.673 131 HB2 GLU 21 HB2 GLU 21 -0.034 3.735 -6.992 132 HB3 GLU 21 HB1 GLU 21 0.906 4.757 -8.062 133 HG2 GLU 21 HG2 GLU 21 -0.860 2.506 -8.981 134 HG3 GLU 21 HG1 GLU 21 -1.378 4.190 -8.894 135 H LEU 22 HN LEU 22 0.757 1.979 -5.660 136 HA LEU 22 HA LEU 22 2.408 3.411 -3.914 137 HB2 LEU 22 HB2 LEU 22 0.749 0.944 -3.508 138 HB3 LEU 22 HB1 LEU 22 1.752 1.585 -2.222 139 HG LEU 22 HG LEU 22 -0.329 2.496 -1.755 140 HD11 LEU 22 HD11 LEU 22 0.951 4.576 -3.547 141 HD12 LEU 22 HD12 LEU 22 1.497 4.192 -1.912 142 HD13 LEU 22 HD13 LEU 22 -0.112 4.860 -2.171 143 HD21 LEU 22 HD21 LEU 22 -0.673 3.206 -4.658 144 HD22 LEU 22 HD22 LEU 22 -1.856 3.371 -3.360 145 HD23 LEU 22 HD23 LEU 22 -1.348 1.768 -3.891 146 H VAL 23 HN VAL 23 2.841 0.191 -5.308 147 HA VAL 23 HA VAL 23 5.157 -0.273 -3.696 148 HB VAL 23 HB VAL 23 4.805 -2.355 -4.211 149 HG11 VAL 23 HG11 VAL 23 2.457 -1.663 -4.668 150 HG12 VAL 23 HG12 VAL 23 2.961 -3.117 -5.533 151 HG13 VAL 23 HG13 VAL 23 2.875 -1.574 -6.379 152 HG21 VAL 23 HG21 VAL 23 6.512 -2.118 -5.861 153 HG22 VAL 23 HG22 VAL 23 5.317 -1.570 -7.053 154 HG23 VAL 23 HG23 VAL 23 5.269 -3.229 -6.455 155 H SER 24 HN SER 24 4.495 0.823 -6.975 156 HA SER 24 HA SER 24 7.115 1.129 -7.883 157 HB2 SER 24 HB2 SER 24 5.005 1.591 -9.191 158 HB3 SER 24 HB1 SER 24 4.850 3.103 -8.294 159 HG SER 24 HG SER 24 6.052 2.917 -10.490 160 H ALA 25 HN ALA 25 5.267 2.843 -5.504 161 HA ALA 25 HA ALA 25 7.248 4.965 -5.181 162 HB1 ALA 25 HB1 ALA 25 5.841 5.834 -3.463 163 HB2 ALA 25 HB2 ALA 25 4.935 4.320 -3.365 164 HB3 ALA 25 HB3 ALA 25 4.783 5.340 -4.807 165 H ILE 26 HN ILE 26 6.339 1.906 -3.589 166 HA ILE 26 HA ILE 26 7.930 2.216 -1.326 167 HB ILE 26 HB ILE 26 6.686 -0.092 -2.682 168 HG12 ILE 26 HG12 ILE 26 7.130 0.815 0.146 169 HG13 ILE 26 HG11 ILE 26 5.636 0.885 -0.788 170 HG21 ILE 26 HG21 ILE 26 9.068 -0.562 -0.898 171 HG22 ILE 26 HG22 ILE 26 9.006 -0.903 -2.627 172 HG23 ILE 26 HG23 ILE 26 7.969 -1.797 -1.511 173 HD11 ILE 26 HD11 ILE 26 5.596 -0.904 0.856 174 HD12 ILE 26 HD12 ILE 26 7.031 -1.617 0.109 175 HD13 ILE 26 HD13 ILE 26 5.523 -1.524 -0.801 176 H GLN 27 HN GLN 27 8.691 0.882 -4.498 177 HA GLN 27 HA GLN 27 11.363 0.225 -3.958 178 HB2 GLN 27 HB2 GLN 27 10.043 0.984 -6.571 179 HB3 GLN 27 HB1 GLN 27 11.615 0.200 -6.422 180 HG2 GLN 27 HG2 GLN 27 10.464 -1.679 -5.253 181 HG3 GLN 27 HG1 GLN 27 8.941 -0.894 -5.621 182 HE21 GLN 27 HE21 GLN 27 11.722 -2.503 -6.973 183 HE22 GLN 27 HE22 GLN 27 11.005 -2.883 -8.500 184 H SER 28 HN SER 28 9.798 3.208 -4.701 185 HA SER 28 HA SER 28 12.183 4.704 -5.242 186 HB2 SER 28 HB2 SER 28 9.314 5.482 -4.686 187 HB3 SER 28 HB1 SER 28 10.567 6.631 -5.120 188 HG SER 28 HG SER 28 9.364 4.622 -6.671 189 H TYR 29 HN TYR 29 9.863 4.526 -2.543 190 HA TYR 29 HA TYR 29 11.084 6.222 -0.711 191 HB2 TYR 29 HB2 TYR 29 8.819 5.200 -0.521 192 HB3 TYR 29 HB1 TYR 29 9.566 3.649 -0.187 193 HD1 TYR 29 HD1 TYR 29 7.538 4.647 1.568 194 HD2 TYR 29 HD2 TYR 29 11.708 5.476 1.631 195 HE1 TYR 29 HE1 TYR 29 7.403 5.076 3.986 196 HE2 TYR 29 HE2 TYR 29 11.582 5.904 4.046 197 HH TYR 29 HH TYR 29 9.841 6.624 5.698 198 H ILE 30 HN ILE 30 11.371 2.705 -1.009 199 HA ILE 30 HA ILE 30 13.230 2.346 1.041 200 HB ILE 30 HB ILE 30 12.543 0.676 -1.361 201 HG12 ILE 30 HG12 ILE 30 11.729 0.611 1.549 202 HG13 ILE 30 HG11 ILE 30 10.727 1.082 0.187 203 HG21 ILE 30 HG21 ILE 30 13.591 -1.209 -0.118 204 HG22 ILE 30 HG22 ILE 30 14.286 -0.025 0.990 205 HG23 ILE 30 HG23 ILE 30 14.734 -0.006 -0.713 206 HD11 ILE 30 HD11 ILE 30 10.100 -1.089 0.894 207 HD12 ILE 30 HD12 ILE 30 11.770 -1.660 0.801 208 HD13 ILE 30 HD13 ILE 30 10.904 -1.218 -0.674 209 H GLY 31 HN GLY 31 13.701 2.890 -2.424 210 HA2 GLY 31 HA2 GLY 31 16.524 2.438 -2.349 211 HA3 GLY 31 HA1 GLY 31 15.626 3.200 -3.657 212 H ALA 32 HN ALA 32 14.623 4.915 -1.178 213 HA ALA 32 HA ALA 32 16.727 6.941 -1.469 214 HB1 ALA 32 HB1 ALA 32 15.068 8.563 -0.948 215 HB2 ALA 32 HB2 ALA 32 13.937 7.313 -0.428 216 HB3 ALA 32 HB3 ALA 32 14.360 7.461 -2.136 217 H GLN 33 HN GLN 33 15.393 4.728 0.735 218 HA GLN 33 HA GLN 33 15.392 6.167 3.094 219 HB2 GLN 33 HB2 GLN 33 15.623 3.270 2.472 220 HB3 GLN 33 HB1 GLN 33 15.766 3.843 4.129 221 HG2 GLN 33 HG2 GLN 33 13.480 4.922 2.687 222 HG3 GLN 33 HG1 GLN 33 13.454 3.181 2.883 223 HE21 GLN 33 HE21 GLN 33 14.870 5.514 5.107 224 HE22 GLN 33 HE22 GLN 33 13.787 5.208 6.416 225 H ASP 34 HN ASP 34 16.687 5.955 4.919 226 HA ASP 34 HA ASP 34 19.392 6.427 4.770 227 HB2 ASP 34 HB2 ASP 34 17.887 6.835 6.694 228 HB3 ASP 34 HB1 ASP 34 17.854 5.107 6.993 229 H ASP 35 HN ASP 35 17.613 3.492 5.028 230 HA ASP 35 HA ASP 35 19.865 1.982 3.994 231 HB2 ASP 35 HB2 ASP 35 20.110 1.647 6.402 232 HB3 ASP 35 HB1 ASP 35 18.431 1.127 6.524 233 HA PRO 36 HA PRO 36 16.195 0.758 1.720 234 HB2 PRO 36 HB2 PRO 36 17.475 -0.309 -0.343 235 HB3 PRO 36 HB1 PRO 36 17.482 1.434 -0.087 236 HG2 PRO 36 HG2 PRO 36 19.556 -0.569 0.761 237 HG3 PRO 36 HG1 PRO 36 19.795 0.899 -0.205 238 HD2 PRO 36 HD2 PRO 36 20.242 0.928 2.421 239 HD3 PRO 36 HD1 PRO 36 19.443 2.303 1.627 240 H THR 37 HN THR 37 18.646 -1.073 3.098 241 HA THR 37 HA THR 37 17.913 -3.608 2.051 242 HB THR 37 HB THR 37 19.753 -4.417 3.116 243 HG1 THR 37 HG1 THR 37 19.348 -2.612 5.287 244 HG21 THR 37 HG21 THR 37 21.483 -2.808 3.170 245 HG22 THR 37 HG22 THR 37 20.366 -1.517 3.640 246 HG23 THR 37 HG23 THR 37 20.307 -2.192 2.000 247 H ASN 38 HN ASN 38 17.141 -1.737 4.809 248 HA ASN 38 HA ASN 38 14.854 -3.413 5.386 249 HB2 ASN 38 HB2 ASN 38 16.777 -4.397 6.591 250 HB3 ASN 38 HB1 ASN 38 16.963 -2.885 7.479 251 HD21 ASN 38 HD21 ASN 38 15.016 -5.740 7.039 252 HD22 ASN 38 HD22 ASN 38 14.078 -5.569 8.482 253 HA PRO 39 HA PRO 39 14.276 1.208 6.068 254 HB2 PRO 39 HB2 PRO 39 11.961 1.222 4.564 255 HB3 PRO 39 HB1 PRO 39 13.552 1.739 4.010 256 HG2 PRO 39 HG2 PRO 39 12.134 -0.817 3.538 257 HG3 PRO 39 HG1 PRO 39 13.234 0.069 2.492 258 HD2 PRO 39 HD2 PRO 39 13.960 -2.151 3.811 259 HD3 PRO 39 HD1 PRO 39 15.089 -0.852 3.425 260 H SER 40 HN SER 40 12.174 2.215 6.763 261 HA SER 40 HA SER 40 11.131 0.672 8.955 262 HB2 SER 40 HB2 SER 40 10.455 3.473 8.035 263 HB3 SER 40 HB1 SER 40 10.014 2.760 9.585 264 HG SER 40 HG SER 40 12.406 2.440 9.807 265 H GLU 41 HN GLU 41 8.637 1.373 9.340 266 HA GLU 41 HA GLU 41 7.078 -0.095 7.522 267 HB2 GLU 41 HB2 GLU 41 6.257 0.011 9.716 268 HB3 GLU 41 HB1 GLU 41 6.500 1.745 9.818 269 HG2 GLU 41 HG2 GLU 41 4.700 2.094 8.271 270 HG3 GLU 41 HG1 GLU 41 4.413 0.357 8.175 271 H ILE 42 HN ILE 42 6.000 0.480 5.797 272 HA ILE 42 HA ILE 42 6.353 3.226 4.881 273 HB ILE 42 HB ILE 42 6.161 0.593 3.464 274 HG12 ILE 42 HG12 ILE 42 8.196 2.786 3.749 275 HG13 ILE 42 HG11 ILE 42 8.365 1.075 4.111 276 HG21 ILE 42 HG21 ILE 42 6.152 3.271 2.109 277 HG22 ILE 42 HG22 ILE 42 4.698 2.318 2.395 278 HG23 ILE 42 HG23 ILE 42 5.982 1.677 1.376 279 HD11 ILE 42 HD11 ILE 42 8.288 0.572 1.734 280 HD12 ILE 42 HD12 ILE 42 9.606 1.676 2.138 281 HD13 ILE 42 HD13 ILE 42 8.133 2.297 1.390 282 H THR 43 HN THR 43 4.616 4.454 4.456 283 HA THR 43 HA THR 43 2.014 3.137 4.157 284 HB THR 43 HB THR 43 0.932 4.942 5.431 285 HG1 THR 43 HG1 THR 43 2.251 6.338 6.671 286 HG21 THR 43 HG21 THR 43 1.603 4.205 7.664 287 HG22 THR 43 HG22 THR 43 3.079 3.502 6.995 288 HG23 THR 43 HG23 THR 43 1.505 2.833 6.556 289 H LEU 44 HN LEU 44 0.362 4.764 3.386 290 HA LEU 44 HA LEU 44 1.218 5.686 0.871 291 HB2 LEU 44 HB2 LEU 44 -1.283 6.402 2.340 292 HB3 LEU 44 HB1 LEU 44 -1.024 6.468 0.624 293 HG LEU 44 HG LEU 44 -1.327 4.068 2.353 294 HD11 LEU 44 HD11 LEU 44 -3.162 5.482 1.009 295 HD12 LEU 44 HD12 LEU 44 -3.284 3.758 1.332 296 HD13 LEU 44 HD13 LEU 44 -2.687 4.316 -0.225 297 HD21 LEU 44 HD21 LEU 44 -0.271 4.184 -0.459 298 HD22 LEU 44 HD22 LEU 44 -0.722 2.710 0.388 299 HD23 LEU 44 HD23 LEU 44 0.624 3.682 0.970 300 H ALA 45 HN ALA 45 0.534 7.212 3.904 301 HA ALA 45 HA ALA 45 0.733 9.888 3.065 302 HB1 ALA 45 HB1 ALA 45 0.927 10.363 5.469 303 HB2 ALA 45 HB2 ALA 45 1.154 8.635 5.777 304 HB3 ALA 45 HB3 ALA 45 -0.387 9.229 5.112 305 H LYS 46 HN LYS 46 3.074 7.460 3.859 306 HA LYS 46 HA LYS 46 5.316 9.274 3.956 307 HB2 LYS 46 HB2 LYS 46 5.080 6.296 3.973 308 HB3 LYS 46 HB1 LYS 46 6.597 7.146 4.090 309 HG2 LYS 46 HG2 LYS 46 5.910 8.154 6.168 310 HG3 LYS 46 HG1 LYS 46 4.325 7.384 6.027 311 HD2 LYS 46 HD2 LYS 46 5.543 5.177 5.953 312 HD3 LYS 46 HD1 LYS 46 6.995 6.066 6.431 313 HE2 LYS 46 HE2 LYS 46 4.396 5.985 7.935 314 HE3 LYS 46 HE1 LYS 46 5.854 5.055 8.336 315 HZ1 LYS 46 HZ1 LYS 46 5.622 8.020 8.328 316 HZ2 LYS 46 HZ2 LYS 46 7.026 7.149 8.693 317 HZ3 LYS 46 HZ3 LYS 46 5.675 7.037 9.702 318 H LEU 47 HN LEU 47 3.852 6.969 1.767 319 HA LEU 47 HA LEU 47 5.943 6.932 -0.133 320 HB2 LEU 47 HB2 LEU 47 3.068 6.073 -0.155 321 HB3 LEU 47 HB1 LEU 47 4.072 5.943 -1.588 322 HG LEU 47 HG LEU 47 4.617 4.610 1.063 323 HD11 LEU 47 HD11 LEU 47 4.059 2.541 -0.117 324 HD12 LEU 47 HD12 LEU 47 3.618 3.479 -1.546 325 HD13 LEU 47 HD13 LEU 47 2.689 3.649 -0.056 326 HD21 LEU 47 HD21 LEU 47 6.026 4.374 -1.591 327 HD22 LEU 47 HD22 LEU 47 6.365 3.411 -0.155 328 HD23 LEU 47 HD23 LEU 47 6.664 5.148 -0.143 329 H ALA 48 HN ALA 48 3.622 9.229 0.596 330 HA ALA 48 HA ALA 48 2.614 10.259 -1.681 331 HB1 ALA 48 HB1 ALA 48 2.277 12.275 -0.571 332 HB2 ALA 48 HB2 ALA 48 3.748 12.110 0.377 333 HB3 ALA 48 HB3 ALA 48 2.359 11.079 0.726 334 HA PRO 49 HA PRO 49 6.457 13.056 -2.600 335 HB2 PRO 49 HB2 PRO 49 8.629 11.711 -1.116 336 HB3 PRO 49 HB1 PRO 49 8.256 13.425 -1.239 337 HG2 PRO 49 HG2 PRO 49 7.785 12.148 1.020 338 HG3 PRO 49 HG1 PRO 49 6.589 13.305 0.394 339 HD2 PRO 49 HD2 PRO 49 6.635 10.322 0.113 340 HD3 PRO 49 HD1 PRO 49 5.313 11.354 0.679 341 H TYR 50 HN TYR 50 6.600 9.650 -2.317 342 HA TYR 50 HA TYR 50 8.676 9.366 -4.361 343 HB2 TYR 50 HB2 TYR 50 7.360 7.244 -2.669 344 HB3 TYR 50 HB1 TYR 50 8.794 7.052 -3.669 345 HD1 TYR 50 HD1 TYR 50 10.794 8.664 -3.070 346 HD2 TYR 50 HD2 TYR 50 7.608 7.674 -0.445 347 HE1 TYR 50 HE1 TYR 50 12.191 9.315 -1.153 348 HE2 TYR 50 HE2 TYR 50 8.992 8.326 1.493 349 HH TYR 50 HH TYR 50 11.485 8.503 2.003 350 H MET 51 HN MET 51 5.383 9.605 -4.240 351 HA MET 51 HA MET 51 4.733 7.481 -6.050 352 HB2 MET 51 HB2 MET 51 3.116 9.902 -5.282 353 HB3 MET 51 HB1 MET 51 2.522 8.534 -6.212 354 HG2 MET 51 HG2 MET 51 3.612 8.322 -3.444 355 HG3 MET 51 HG1 MET 51 1.902 8.537 -3.814 356 HE1 MET 51 HE1 MET 51 0.874 5.398 -5.549 357 HE2 MET 51 HE2 MET 51 2.132 6.060 -6.597 358 HE3 MET 51 HE3 MET 51 0.989 7.150 -5.804 359 H SER 52 HN SER 52 4.815 7.462 -8.076 360 HA SER 52 HA SER 52 5.421 9.876 -9.618 361 HB2 SER 52 HB2 SER 52 5.633 8.184 -11.520 362 HB3 SER 52 HB1 SER 52 6.805 8.016 -10.215 363 HG SER 52 HG SER 52 4.966 6.249 -11.089 364 H LYS 53 HN LYS 53 2.996 7.695 -8.812 365 HA LYS 53 HA LYS 53 1.069 8.236 -10.784 366 HB2 LYS 53 HB2 LYS 53 1.036 6.206 -9.573 367 HB3 LYS 53 HB1 LYS 53 1.157 7.031 -8.035 368 HG2 LYS 53 HG2 LYS 53 -1.225 7.543 -9.669 369 HG3 LYS 53 HG1 LYS 53 -1.067 5.968 -8.917 370 HD2 LYS 53 HD2 LYS 53 -0.643 7.153 -6.756 371 HD3 LYS 53 HD1 LYS 53 -1.105 8.656 -7.577 372 HE2 LYS 53 HE2 LYS 53 -3.239 7.421 -8.214 373 HE3 LYS 53 HE1 LYS 53 -2.769 6.224 -7.003 374 HZ1 LYS 53 HZ1 LYS 53 -4.309 7.951 -6.191 375 HZ2 LYS 53 HZ2 LYS 53 -3.100 9.118 -6.444 376 HZ3 LYS 53 HZ3 LYS 53 -2.858 7.877 -5.319 377 H ASN 54 HN ASN 54 -0.966 9.318 -10.336 378 HA ASN 54 HA ASN 54 -1.005 11.916 -9.618 379 HB2 ASN 54 HB2 ASN 54 -2.832 10.620 -10.602 380 HB3 ASN 54 HB1 ASN 54 -3.198 9.971 -9.018 381 HD21 ASN 54 HD21 ASN 54 -5.254 10.831 -8.980 382 HD22 ASN 54 HD22 ASN 54 -5.548 12.525 -8.791 383 H ALA 55 HN ALA 55 0.146 12.405 -7.934 384 HA ALA 55 HA ALA 55 -1.125 12.611 -5.409 385 HB1 ALA 55 HB1 ALA 55 1.277 10.815 -5.619 386 HB2 ALA 55 HB2 ALA 55 -0.381 10.291 -5.315 387 HB3 ALA 55 HB3 ALA 55 0.462 11.294 -4.126 388 H LYS 56 HN LYS 56 0.102 13.916 -3.936 389 HA LYS 56 HA LYS 56 2.454 15.217 -5.063 390 HB2 LYS 56 HB2 LYS 56 0.033 16.617 -3.930 391 HB3 LYS 56 HB1 LYS 56 1.569 17.414 -4.239 392 HG2 LYS 56 HG2 LYS 56 -0.051 16.010 -6.342 393 HG3 LYS 56 HG1 LYS 56 -0.124 17.744 -6.016 394 HD2 LYS 56 HD2 LYS 56 2.000 18.121 -6.822 395 HD3 LYS 56 HD1 LYS 56 2.523 16.464 -6.521 396 HE2 LYS 56 HE2 LYS 56 1.195 15.667 -8.357 397 HE3 LYS 56 HE1 LYS 56 0.536 17.280 -8.627 398 HZ1 LYS 56 HZ1 LYS 56 3.401 16.550 -8.884 399 HZ2 LYS 56 HZ2 LYS 56 2.720 18.058 -9.226 400 HZ3 LYS 56 HZ3 LYS 56 2.328 16.718 -10.179 401 H ASN 57 HN ASN 57 0.430 15.675 -2.178 402 HA ASN 57 HA ASN 57 2.762 14.977 -0.528 403 HB2 ASN 57 HB2 ASN 57 0.518 16.898 0.136 404 HB3 ASN 57 HB1 ASN 57 1.846 16.474 1.201 405 HD21 ASN 57 HD21 ASN 57 3.902 16.490 -0.748 406 HD22 ASN 57 HD22 ASN 57 4.157 18.132 -1.227 407 H GLU 58 HN GLU 58 1.533 14.674 1.896 408 HA GLU 58 HA GLU 58 0.522 12.077 1.625 409 HB2 GLU 58 HB2 GLU 58 0.932 11.950 3.801 410 HB3 GLU 58 HB1 GLU 58 1.568 13.576 3.654 411 HG2 GLU 58 HG2 GLU 58 -0.631 14.463 4.189 412 HG3 GLU 58 HG1 GLU 58 -1.213 12.823 4.433 413 H ASP 59 HN ASP 59 -1.067 15.145 2.075 414 HA ASP 59 HA ASP 59 -3.681 14.102 2.423 415 HB2 ASP 59 HB2 ASP 59 -3.281 16.352 3.108 416 HB3 ASP 59 HB1 ASP 59 -2.677 16.788 1.517 417 H GLY 60 HN GLY 60 -1.729 14.940 -0.343 418 HA2 GLY 60 HA2 GLY 60 -3.828 14.786 -2.263 419 HA3 GLY 60 HA1 GLY 60 -2.108 14.808 -2.609 420 H ILE 61 HN ILE 61 -1.182 12.574 -1.398 421 HA ILE 61 HA ILE 61 -1.710 10.709 -3.386 422 HB ILE 61 HB ILE 61 0.412 10.692 -2.322 423 HG12 ILE 61 HG12 ILE 61 0.720 8.408 -1.885 424 HG13 ILE 61 HG11 ILE 61 -0.932 8.201 -1.302 425 HG21 ILE 61 HG21 ILE 61 0.737 10.073 0.030 426 HG22 ILE 61 HG22 ILE 61 -1.008 10.088 0.257 427 HG23 ILE 61 HG23 ILE 61 -0.164 11.576 -0.160 428 HD11 ILE 61 HD11 ILE 61 -1.799 8.454 -3.537 429 HD12 ILE 61 HD12 ILE 61 -0.510 7.241 -3.569 430 HD13 ILE 61 HD13 ILE 61 -0.194 8.871 -4.154 431 H VAL 62 HN VAL 62 -2.586 10.656 -0.009 432 HA VAL 62 HA VAL 62 -3.690 8.066 -0.119 433 HB VAL 62 HB VAL 62 -3.986 10.236 1.948 434 HG11 VAL 62 HG11 VAL 62 -4.439 7.281 2.188 435 HG12 VAL 62 HG12 VAL 62 -5.705 8.519 2.162 436 HG13 VAL 62 HG13 VAL 62 -4.537 8.465 3.491 437 HG21 VAL 62 HG21 VAL 62 -1.820 8.573 1.135 438 HG22 VAL 62 HG22 VAL 62 -2.322 8.160 2.784 439 HG23 VAL 62 HG23 VAL 62 -1.864 9.824 2.388 440 H ASN 63 HN ASN 63 -5.110 11.280 -0.167 441 HA ASN 63 HA ASN 63 -7.807 10.456 -0.342 442 HB2 ASN 63 HB2 ASN 63 -7.101 12.784 0.163 443 HB3 ASN 63 HB1 ASN 63 -6.548 12.958 -1.497 444 HD21 ASN 63 HD21 ASN 63 -9.281 12.781 0.608 445 HD22 ASN 63 HD22 ASN 63 -10.467 13.277 -0.548 446 H SER 64 HN SER 64 -5.261 10.815 -2.705 447 HA SER 64 HA SER 64 -6.926 10.450 -5.017 448 HB2 SER 64 HB2 SER 64 -3.977 10.590 -4.496 449 HB3 SER 64 HB1 SER 64 -4.556 10.065 -6.071 450 HG SER 64 HG SER 64 -5.328 12.489 -4.789 451 H LEU 65 HN LEU 65 -5.705 8.380 -2.677 452 HA LEU 65 HA LEU 65 -5.651 6.060 -4.454 453 HB2 LEU 65 HB2 LEU 65 -4.812 6.443 -1.599 454 HB3 LEU 65 HB1 LEU 65 -4.830 4.883 -2.405 455 HG LEU 65 HG LEU 65 -3.217 7.252 -3.303 456 HD11 LEU 65 HD11 LEU 65 -2.222 4.769 -1.956 457 HD12 LEU 65 HD12 LEU 65 -2.630 6.232 -1.061 458 HD13 LEU 65 HD13 LEU 65 -1.354 6.268 -2.272 459 HD21 LEU 65 HD21 LEU 65 -3.707 5.785 -5.120 460 HD22 LEU 65 HD22 LEU 65 -3.317 4.371 -4.139 461 HD23 LEU 65 HD23 LEU 65 -2.041 5.495 -4.615 462 H ALA 66 HN ALA 66 -6.723 4.091 -3.799 463 HA ALA 66 HA ALA 66 -9.385 4.207 -3.183 464 HB1 ALA 66 HB1 ALA 66 -8.237 2.178 -4.011 465 HB2 ALA 66 HB2 ALA 66 -9.290 1.863 -2.622 466 HB3 ALA 66 HB3 ALA 66 -7.540 1.959 -2.400 467 H LYS 67 HN LYS 67 -10.621 4.171 -1.414 468 HA LYS 67 HA LYS 67 -9.250 4.508 1.154 469 HB2 LYS 67 HB2 LYS 67 -11.930 5.656 0.391 470 HB3 LYS 67 HB1 LYS 67 -11.007 5.996 1.841 471 HG2 LYS 67 HG2 LYS 67 -10.395 6.846 -0.969 472 HG3 LYS 67 HG1 LYS 67 -10.810 7.865 0.405 473 HD2 LYS 67 HD2 LYS 67 -8.348 6.154 0.386 474 HD3 LYS 67 HD1 LYS 67 -8.359 7.766 -0.324 475 HE2 LYS 67 HE2 LYS 67 -8.890 7.024 2.546 476 HE3 LYS 67 HE1 LYS 67 -7.497 7.903 1.912 477 HZ1 LYS 67 HZ1 LYS 67 -9.011 9.436 2.910 478 HZ2 LYS 67 HZ2 LYS 67 -10.311 8.846 2.009 479 HZ3 LYS 67 HZ3 LYS 67 -9.061 9.677 1.237 480 H ASP 68 HN ASP 68 -9.885 3.255 2.817 481 HA ASP 68 HA ASP 68 -11.787 1.141 2.205 482 HB2 ASP 68 HB2 ASP 68 -10.924 -0.045 4.040 483 HB3 ASP 68 HB1 ASP 68 -9.518 0.814 3.420 484 H LYS 69 HN LYS 69 -13.327 0.586 4.245 485 HA LYS 69 HA LYS 69 -14.912 3.001 4.303 486 HB2 LYS 69 HB2 LYS 69 -15.925 0.874 3.633 487 HB3 LYS 69 HB1 LYS 69 -15.631 0.253 5.244 488 HG2 LYS 69 HG2 LYS 69 -17.957 0.982 4.878 489 HG3 LYS 69 HG1 LYS 69 -17.165 1.825 6.209 490 HD2 LYS 69 HD2 LYS 69 -18.398 3.435 4.952 491 HD3 LYS 69 HD1 LYS 69 -16.689 3.694 4.602 492 HE2 LYS 69 HE2 LYS 69 -17.746 3.811 2.514 493 HE3 LYS 69 HE1 LYS 69 -17.053 2.191 2.584 494 HZ1 LYS 69 HZ1 LYS 69 -19.170 1.271 3.086 495 HZ2 LYS 69 HZ2 LYS 69 -19.355 2.265 1.730 496 HZ3 LYS 69 HZ3 LYS 69 -19.874 2.803 3.244 497 H SER 70 HN SER 70 -13.639 0.750 6.771 498 HA SER 70 HA SER 70 -14.713 2.593 8.786 499 HB2 SER 70 HB2 SER 70 -14.394 0.588 10.337 500 HB3 SER 70 HB1 SER 70 -15.659 0.470 9.113 501 HG SER 70 HG SER 70 -14.652 -1.341 8.692 502 H GLY 71 HN GLY 71 -11.731 1.119 7.713 503 HA2 GLY 71 HA2 GLY 71 -9.562 1.569 8.357 504 HA3 GLY 71 HA1 GLY 71 -10.182 2.754 9.499 505 H ASN 72 HN ASN 72 -11.628 -0.341 9.709 506 HA ASN 72 HA ASN 72 -10.768 -0.558 12.424 507 HB2 ASN 72 HB2 ASN 72 -12.463 -2.301 10.657 508 HB3 ASN 72 HB1 ASN 72 -11.995 -2.824 12.268 509 HD21 ASN 72 HD21 ASN 72 -12.104 -0.099 13.359 510 HD22 ASN 72 HD22 ASN 72 -13.787 0.269 13.511 511 H SER 73 HN SER 73 -9.264 -1.413 9.601 512 HA SER 73 HA SER 73 -7.992 -3.805 10.639 513 HB2 SER 73 HB2 SER 73 -7.452 -2.309 8.067 514 HB3 SER 73 HB1 SER 73 -6.904 -3.936 8.476 515 HG SER 73 HG SER 73 -9.313 -3.094 7.502 516 H SER 74 HN SER 74 -7.574 -0.552 11.042 517 HA SER 74 HA SER 74 -5.881 0.842 11.624 518 HB2 SER 74 HB2 SER 74 -5.594 -1.002 13.355 519 HB3 SER 74 HB1 SER 74 -4.302 -1.635 12.341 520 HG SER 74 HG SER 74 -4.052 0.162 14.173 521 H THR 75 HN THR 75 -5.932 0.971 9.191 522 HA THR 75 HA THR 75 -3.963 -0.474 7.687 523 HB THR 75 HB THR 75 -6.232 0.145 6.827 524 HG1 THR 75 HG1 THR 75 -5.239 1.119 4.770 525 HG21 THR 75 HG21 THR 75 -5.073 2.899 6.465 526 HG22 THR 75 HG22 THR 75 -6.147 2.465 7.802 527 HG23 THR 75 HG23 THR 75 -6.723 2.360 6.137 528 H SER 76 HN SER 76 -3.856 2.296 9.557 529 HA SER 76 HA SER 76 -2.274 3.861 9.953 530 HB2 SER 76 HB2 SER 76 -0.604 2.422 7.883 531 HB3 SER 76 HB1 SER 76 -0.024 3.602 9.059 532 HG SER 76 HG SER 76 -1.388 1.284 9.903 533 H ALA 77 HN ALA 77 -2.681 3.171 6.491 534 HA ALA 77 HA ALA 77 -2.159 5.846 5.633 535 HB1 ALA 77 HB1 ALA 77 -3.846 3.759 4.263 536 HB2 ALA 77 HB2 ALA 77 -2.089 3.884 4.112 537 HB3 ALA 77 HB3 ALA 77 -3.124 5.202 3.528 538 HA PRO 78 HA PRO 78 -5.693 7.714 7.491 539 HB2 PRO 78 HB2 PRO 78 -5.159 9.569 5.216 540 HB3 PRO 78 HB1 PRO 78 -5.494 9.961 6.902 541 HG2 PRO 78 HG2 PRO 78 -3.027 10.081 6.047 542 HG3 PRO 78 HG1 PRO 78 -3.360 9.237 7.567 543 HD2 PRO 78 HD2 PRO 78 -2.828 8.088 4.868 544 HD3 PRO 78 HD1 PRO 78 -2.224 7.564 6.452 545 H GLY 79 HN GLY 79 -7.436 6.508 7.106 546 HA2 GLY 79 HA2 GLY 79 -9.343 5.694 6.159 547 HA3 GLY 79 HA1 GLY 79 -9.363 7.173 5.223 548 H SER 80 HN SER 80 -6.605 5.122 4.716 549 HA SER 80 HA SER 80 -7.681 4.625 2.010 550 HB2 SER 80 HB2 SER 80 -5.237 5.719 2.961 551 HB3 SER 80 HB1 SER 80 -4.899 4.242 2.071 552 HG SER 80 HG SER 80 -6.593 5.364 0.553 553 H ALA 81 HN ALA 81 -7.310 2.824 0.918 554 HA ALA 81 HA ALA 81 -7.261 0.413 2.471 555 HB1 ALA 81 HB1 ALA 81 -7.909 -0.660 0.398 556 HB2 ALA 81 HB2 ALA 81 -7.568 0.829 -0.490 557 HB3 ALA 81 HB3 ALA 81 -8.888 0.787 0.683 558 H HIS 82 HN HIS 82 -4.679 1.682 2.463 559 HA HIS 82 HA HIS 82 -3.277 -0.633 1.401 560 HB2 HIS 82 HB2 HIS 82 -2.420 2.210 0.954 561 HB3 HIS 82 HB1 HIS 82 -1.370 0.848 0.737 562 HD1 HIS 82 HD1 HIS 82 -1.979 -0.767 -1.301 563 HD2 HIS 82 HD2 HIS 82 -4.136 2.781 -1.114 564 HE1 HIS 82 HE1 HIS 82 -3.064 -0.512 -3.552 565 HE2 HIS 82 HE2 HIS 82 -4.488 1.551 -3.358 566 H GLN 83 HN GLN 83 -2.089 -1.576 2.868 567 HA GLN 83 HA GLN 83 -0.657 -0.022 4.863 568 HB2 GLN 83 HB2 GLN 83 -2.531 -0.512 6.203 569 HB3 GLN 83 HB1 GLN 83 -2.752 -2.085 5.459 570 HG2 GLN 83 HG2 GLN 83 -1.992 -2.563 7.602 571 HG3 GLN 83 HG1 GLN 83 -0.578 -2.766 6.578 572 HE21 GLN 83 HE21 GLN 83 -0.198 0.180 6.387 573 HE22 GLN 83 HE22 GLN 83 0.471 0.643 7.905 574 H ILE 84 HN ILE 84 1.357 -0.708 4.786 575 HA ILE 84 HA ILE 84 1.964 -3.126 3.375 576 HB ILE 84 HB ILE 84 3.417 -0.696 4.241 577 HG12 ILE 84 HG12 ILE 84 4.058 -1.664 1.667 578 HG13 ILE 84 HG11 ILE 84 2.329 -1.878 1.890 579 HG21 ILE 84 HG21 ILE 84 4.941 -2.418 4.993 580 HG22 ILE 84 HG22 ILE 84 5.571 -1.651 3.534 581 HG23 ILE 84 HG23 ILE 84 4.815 -3.243 3.439 582 HD11 ILE 84 HD11 ILE 84 2.675 0.240 0.891 583 HD12 ILE 84 HD12 ILE 84 3.918 0.661 2.066 584 HD13 ILE 84 HD13 ILE 84 2.233 0.528 2.574 585 H ASP 85 HN ASP 85 2.963 -4.907 4.130 586 HA ASP 85 HA ASP 85 3.047 -5.333 7.008 587 HB2 ASP 85 HB2 ASP 85 2.144 -7.114 5.507 588 HB3 ASP 85 HB1 ASP 85 3.723 -7.227 4.744 589 H THR 86 HN THR 86 4.832 -4.919 8.124 590 HA THR 86 HA THR 86 7.290 -4.452 6.681 591 HB THR 86 HB THR 86 8.087 -3.699 8.948 592 HG1 THR 86 HG1 THR 86 6.722 -3.811 10.614 593 HG21 THR 86 HG21 THR 86 6.761 -1.647 8.843 594 HG22 THR 86 HG22 THR 86 5.576 -2.466 7.820 595 HG23 THR 86 HG23 THR 86 7.215 -2.190 7.227 596 H THR 87 HN THR 87 5.895 -6.885 8.693 597 HA THR 87 HA THR 87 8.116 -8.160 9.736 598 HB THR 87 HB THR 87 5.612 -9.476 8.663 599 HG1 THR 87 HG1 THR 87 6.226 -8.173 11.108 600 HG21 THR 87 HG21 THR 87 6.094 -11.216 10.317 601 HG22 THR 87 HG22 THR 87 7.586 -10.384 10.757 602 HG23 THR 87 HG23 THR 87 7.402 -11.066 9.142 603 H ASN 88 HN ASN 88 6.459 -8.913 6.655 604 HA ASN 88 HA ASN 88 8.892 -10.312 5.777 605 HB2 ASN 88 HB2 ASN 88 6.035 -10.365 4.852 606 HB3 ASN 88 HB1 ASN 88 7.325 -10.970 3.819 607 HD21 ASN 88 HD21 ASN 88 7.546 -11.271 7.271 608 HD22 ASN 88 HD22 ASN 88 7.278 -12.977 7.343 609 H HIS 89 HN HIS 89 7.288 -7.402 5.497 610 HA HIS 89 HA HIS 89 7.758 -5.473 4.436 611 HB2 HIS 89 HB2 HIS 89 10.140 -7.066 3.619 612 HB3 HIS 89 HB1 HIS 89 9.762 -5.605 2.718 613 HD1 HIS 89 HD1 HIS 89 11.843 -6.586 5.342 614 HD2 HIS 89 HD2 HIS 89 9.247 -3.385 4.813 615 HE1 HIS 89 HE1 HIS 89 12.627 -4.811 6.936 616 HE2 HIS 89 HE2 HIS 89 10.921 -2.969 6.742 617 H LYS 90 HN LYS 90 5.719 -6.627 3.636 618 HA LYS 90 HA LYS 90 5.763 -6.880 0.709 619 HB2 LYS 90 HB2 LYS 90 4.183 -8.065 2.914 620 HB3 LYS 90 HB1 LYS 90 3.343 -7.809 1.407 621 HG2 LYS 90 HG2 LYS 90 5.018 -9.200 0.264 622 HG3 LYS 90 HG1 LYS 90 5.853 -9.439 1.801 623 HD2 LYS 90 HD2 LYS 90 3.049 -10.314 1.111 624 HD3 LYS 90 HD1 LYS 90 4.456 -11.355 1.339 625 HE2 LYS 90 HE2 LYS 90 4.610 -10.621 3.669 626 HE3 LYS 90 HE1 LYS 90 3.196 -9.600 3.442 627 HZ1 LYS 90 HZ1 LYS 90 3.258 -12.562 3.217 628 HZ2 LYS 90 HZ2 LYS 90 1.897 -11.596 2.958 629 HZ3 LYS 90 HZ3 LYS 90 2.596 -11.677 4.498 630 H LEU 91 HN LEU 91 4.348 -5.677 -0.488 631 HA LEU 91 HA LEU 91 3.115 -3.386 0.834 632 HB2 LEU 91 HB2 LEU 91 4.450 -3.006 -1.182 633 HB3 LEU 91 HB1 LEU 91 3.437 -4.077 -2.085 634 HG LEU 91 HG LEU 91 2.347 -2.287 -2.799 635 HD11 LEU 91 HD11 LEU 91 0.614 -2.783 -1.233 636 HD12 LEU 91 HD12 LEU 91 0.814 -1.030 -1.292 637 HD13 LEU 91 HD13 LEU 91 1.475 -1.952 0.064 638 HD21 LEU 91 HD21 LEU 91 2.806 -0.047 -2.061 639 HD22 LEU 91 HD22 LEU 91 4.291 -0.975 -2.251 640 HD23 LEU 91 HD23 LEU 91 3.643 -0.672 -0.642 641 H ILE 92 HN ILE 92 1.380 -4.065 1.811 642 HA ILE 92 HA ILE 92 -0.581 -5.720 0.453 643 HB ILE 92 HB ILE 92 -0.084 -4.876 3.283 644 HG12 ILE 92 HG12 ILE 92 -0.490 -7.417 3.569 645 HG13 ILE 92 HG11 ILE 92 -0.332 -7.482 1.819 646 HG21 ILE 92 HG21 ILE 92 -2.464 -4.490 2.943 647 HG22 ILE 92 HG22 ILE 92 -2.198 -5.876 4.000 648 HG23 ILE 92 HG23 ILE 92 -2.657 -6.125 2.317 649 HD11 ILE 92 HD11 ILE 92 1.747 -8.003 2.946 650 HD12 ILE 92 HD12 ILE 92 1.727 -6.415 3.709 651 HD13 ILE 92 HD13 ILE 92 1.881 -6.548 1.959 652 H SER 93 HN SER 93 -2.574 -4.959 -0.049 653 HA SER 93 HA SER 93 -3.092 -2.138 0.544 654 HB2 SER 93 HB2 SER 93 -4.362 -3.745 -1.661 655 HB3 SER 93 HB1 SER 93 -4.331 -1.993 -1.475 656 HG SER 93 HG SER 93 -2.098 -3.682 -1.995 657 H THR 94 HN THR 94 -4.474 -2.024 2.252 658 HA THR 94 HA THR 94 -6.068 -4.401 2.826 659 HB THR 94 HB THR 94 -5.241 -2.112 4.617 660 HG1 THR 94 HG1 THR 94 -3.979 -3.797 5.606 661 HG21 THR 94 HG21 THR 94 -6.726 -4.648 5.315 662 HG22 THR 94 HG22 THR 94 -7.457 -3.048 5.206 663 HG23 THR 94 HG23 THR 94 -6.232 -3.378 6.436 664 H PHE 95 HN PHE 95 -8.067 -4.303 2.142 665 HA PHE 95 HA PHE 95 -9.473 -1.727 2.178 666 HB2 PHE 95 HB2 PHE 95 -9.392 -3.264 0.120 667 HB3 PHE 95 HB1 PHE 95 -10.520 -4.274 1.021 668 HD1 PHE 95 HD1 PHE 95 -12.776 -3.662 1.347 669 HD2 PHE 95 HD2 PHE 95 -10.078 -0.970 -0.547 670 HE1 PHE 95 HE1 PHE 95 -14.668 -2.240 0.682 671 HE2 PHE 95 HE2 PHE 95 -11.966 0.451 -1.220 672 HZ PHE 95 HZ PHE 95 -14.262 -0.182 -0.603 673 H THR 96 HN THR 96 -10.289 -1.547 4.263 674 HA THR 96 HA THR 96 -11.581 -3.819 5.447 675 HB THR 96 HB THR 96 -12.073 -1.092 6.512 676 HG1 THR 96 HG1 THR 96 -9.985 -0.684 6.495 677 HG21 THR 96 HG21 THR 96 -12.947 -3.037 7.637 678 HG22 THR 96 HG22 THR 96 -11.667 -2.319 8.617 679 HG23 THR 96 HG23 THR 96 -11.344 -3.773 7.664 680 HA PRO 97 HA PRO 97 -15.101 -2.893 2.790 681 HB2 PRO 97 HB2 PRO 97 -16.560 -5.065 3.579 682 HB3 PRO 97 HB1 PRO 97 -15.319 -5.114 2.326 683 HG2 PRO 97 HG2 PRO 97 -15.191 -5.937 5.186 684 HG3 PRO 97 HG1 PRO 97 -14.460 -6.693 3.761 685 HD2 PRO 97 HD2 PRO 97 -13.066 -5.165 5.486 686 HD3 PRO 97 HD1 PRO 97 -12.674 -5.249 3.764 687 H SER 98 HN SER 98 -17.363 -2.538 3.029 688 HA SER 98 HA SER 98 -18.065 -1.195 5.431 689 HB2 SER 98 HB2 SER 98 -19.926 -2.007 3.194 690 HB3 SER 98 HB1 SER 98 -20.103 -0.650 4.306 691 HG SER 98 HG SER 98 -18.462 -0.926 2.058 692 H ASN 99 HN ASN 99 -18.167 -4.422 4.466 693 HA ASN 99 HA ASN 99 -20.467 -5.243 5.980 694 HB2 ASN 99 HB2 ASN 99 -19.162 -6.398 3.941 695 HB3 ASN 99 HB1 ASN 99 -18.331 -7.182 5.275 696 HD21 ASN 99 HD21 ASN 99 -19.499 -8.537 6.683 697 HD22 ASN 99 HD22 ASN 99 -21.033 -9.186 6.229 698 H GLY 100 HN GLY 100 -17.211 -4.517 6.672 699 HA2 GLY 100 HA2 GLY 100 -16.109 -4.498 8.709 700 HA3 GLY 100 HA1 GLY 100 -17.505 -5.284 9.434 701 H GLY 101 HN GLY 101 -16.652 -6.968 6.723 702 HA2 GLY 101 HA2 GLY 101 -15.614 -9.164 8.269 703 HA3 GLY 101 HA1 GLY 101 -15.948 -9.165 6.544 704 H GLN 102 HN GLN 102 -13.901 -10.400 6.537 705 HA GLN 102 HA GLN 102 -11.425 -9.320 7.216 706 HB2 GLN 102 HB2 GLN 102 -10.439 -10.994 5.817 707 HB3 GLN 102 HB1 GLN 102 -11.863 -11.701 6.565 708 HG2 GLN 102 HG2 GLN 102 -13.125 -11.340 4.519 709 HG3 GLN 102 HG1 GLN 102 -11.708 -10.608 3.774 710 HE21 GLN 102 HE21 GLN 102 -9.968 -11.917 3.190 711 HE22 GLN 102 HE22 GLN 102 -10.120 -13.632 3.049 712 H ALA 103 HN ALA 103 -10.038 -7.958 6.252 713 HA ALA 103 HA ALA 103 -11.036 -6.247 4.168 714 HB1 ALA 103 HB1 ALA 103 -8.298 -6.328 5.437 715 HB2 ALA 103 HB2 ALA 103 -9.659 -5.333 5.967 716 HB3 ALA 103 HB3 ALA 103 -8.928 -5.059 4.374 717 H THR 104 HN THR 104 -10.241 -5.900 2.258 718 HA THR 104 HA THR 104 -9.349 -8.216 0.812 719 HB THR 104 HB THR 104 -10.781 -5.791 0.274 720 HG1 THR 104 HG1 THR 104 -10.663 -8.392 -0.569 721 HG21 THR 104 HG21 THR 104 -8.286 -5.735 -0.890 722 HG22 THR 104 HG22 THR 104 -9.693 -4.813 -1.410 723 HG23 THR 104 HG23 THR 104 -9.316 -6.365 -2.169 724 H VAL 105 HN VAL 105 -7.403 -8.336 -0.390 725 HA VAL 105 HA VAL 105 -5.461 -6.232 0.229 726 HB VAL 105 HB VAL 105 -5.032 -9.188 0.598 727 HG11 VAL 105 HG11 VAL 105 -2.754 -8.469 1.403 728 HG12 VAL 105 HG12 VAL 105 -3.080 -6.905 0.654 729 HG13 VAL 105 HG13 VAL 105 -3.023 -8.360 -0.336 730 HG21 VAL 105 HG21 VAL 105 -4.672 -7.002 2.626 731 HG22 VAL 105 HG22 VAL 105 -4.817 -8.739 2.901 732 HG23 VAL 105 HG23 VAL 105 -6.234 -7.802 2.388 733 H LEU 106 HN LEU 106 -4.252 -5.607 -1.380 734 HA LEU 106 HA LEU 106 -3.646 -7.461 -3.581 735 HB2 LEU 106 HB2 LEU 106 -3.986 -4.491 -3.526 736 HB3 LEU 106 HB1 LEU 106 -2.861 -5.191 -4.670 737 HG LEU 106 HG LEU 106 -4.936 -4.787 -5.775 738 HD11 LEU 106 HD11 LEU 106 -5.481 -7.027 -6.579 739 HD12 LEU 106 HD12 LEU 106 -4.640 -7.737 -5.202 740 HD13 LEU 106 HD13 LEU 106 -3.739 -6.816 -6.407 741 HD21 LEU 106 HD21 LEU 106 -6.442 -4.740 -3.861 742 HD22 LEU 106 HD22 LEU 106 -6.219 -6.471 -3.606 743 HD23 LEU 106 HD23 LEU 106 -7.039 -5.888 -5.059 744 H THR 107 HN THR 107 -1.656 -8.311 -3.332 745 HA THR 107 HA THR 107 0.197 -6.845 -1.573 746 HB THR 107 HB THR 107 0.315 -9.790 -2.169 747 HG1 THR 107 HG1 THR 107 -1.684 -9.317 -1.178 748 HG21 THR 107 HG21 THR 107 1.599 -9.884 -0.094 749 HG22 THR 107 HG22 THR 107 1.423 -8.141 0.111 750 HG23 THR 107 HG23 THR 107 2.357 -8.780 -1.243 751 H TYR 108 HN TYR 108 2.267 -6.576 -2.034 752 HA TYR 108 HA TYR 108 3.446 -7.781 -4.430 753 HB2 TYR 108 HB2 TYR 108 3.220 -5.643 -5.297 754 HB3 TYR 108 HB1 TYR 108 3.264 -4.887 -3.719 755 HD1 TYR 108 HD1 TYR 108 5.259 -4.025 -2.836 756 HD2 TYR 108 HD2 TYR 108 5.393 -6.430 -6.341 757 HE1 TYR 108 HE1 TYR 108 7.589 -3.361 -3.181 758 HE2 TYR 108 HE2 TYR 108 7.742 -5.790 -6.693 759 HH TYR 108 HH TYR 108 9.606 -4.223 -4.322 760 H ASP 109 HN ASP 109 5.654 -8.345 -4.113 761 HA ASP 109 HA ASP 109 6.467 -8.163 -1.291 762 HB2 ASP 109 HB2 ASP 109 6.004 -10.442 -2.545 763 HB3 ASP 109 HB1 ASP 109 7.641 -10.191 -3.141 764 H TRP 110 HN TRP 110 8.081 -6.803 -0.918 765 HA TRP 110 HA TRP 110 9.788 -5.913 -3.066 766 HB2 TRP 110 HB2 TRP 110 9.307 -4.147 -1.654 767 HB3 TRP 110 HB1 TRP 110 9.400 -5.124 -0.202 768 HD1 TRP 110 HD1 TRP 110 11.609 -3.233 -2.678 769 HE1 TRP 110 HE1 TRP 110 13.895 -2.777 -1.576 770 HE3 TRP 110 HE3 TRP 110 11.031 -6.010 1.549 771 HZ2 TRP 110 HZ2 TRP 110 15.262 -3.513 0.784 772 HZ3 TRP 110 HZ3 TRP 110 12.860 -6.085 3.189 773 HH2 TRP 110 HH2 TRP 110 14.942 -4.863 2.821 774 H SER 111 HN SER 111 10.091 -7.862 -0.157 775 HA SER 111 HA SER 111 12.922 -8.289 -0.618 776 HB2 SER 111 HB2 SER 111 11.989 -7.952 1.680 777 HB3 SER 111 HB1 SER 111 11.155 -9.489 1.515 778 HG SER 111 HG SER 111 13.303 -10.412 1.142 779 H ALA 112 HN ALA 112 9.901 -9.989 -0.995 780 HA ALA 112 HA ALA 112 9.369 -11.984 -1.938 781 HB1 ALA 112 HB1 ALA 112 11.793 -11.226 -3.519 782 HB2 ALA 112 HB2 ALA 112 10.117 -10.789 -3.853 783 HB3 ALA 112 HB3 ALA 112 10.634 -12.473 -3.988 784 H ASN 113 HN ASN 113 10.271 -12.640 0.286 785 HA ASN 113 HA ASN 113 12.713 -14.145 0.293 786 HB2 ASN 113 HB2 ASN 113 11.790 -12.882 2.274 787 HB3 ASN 113 HB1 ASN 113 10.555 -14.131 2.407 788 HD21 ASN 113 HD21 ASN 113 13.958 -13.433 2.648 789 HD22 ASN 113 HD22 ASN 113 14.379 -14.823 3.588 790 H GLY 114 HN GLY 114 12.251 -15.602 -1.412 791 HA2 GLY 114 HA2 GLY 114 11.562 -18.165 -0.616 792 HA3 GLY 114 HA1 GLY 114 10.108 -17.465 -1.315 793 H VAL 115 HN VAL 115 9.849 -17.649 -3.444 794 HA VAL 115 HA VAL 115 12.225 -18.295 -5.060 795 HB VAL 115 HB VAL 115 9.405 -19.142 -5.729 796 HG11 VAL 115 HG11 VAL 115 12.081 -20.083 -6.763 797 HG12 VAL 115 HG12 VAL 115 10.986 -18.986 -7.603 798 HG13 VAL 115 HG13 VAL 115 10.499 -20.656 -7.295 799 HG21 VAL 115 HG21 VAL 115 10.047 -20.222 -3.641 800 HG22 VAL 115 HG22 VAL 115 11.558 -20.764 -4.370 801 HG23 VAL 115 HG23 VAL 115 10.020 -21.392 -4.961 802 H ASN 116 HN ASN 116 11.775 -15.748 -4.631 803 HA ASN 116 HA ASN 116 11.618 -13.744 -5.649 804 HB2 ASN 116 HB2 ASN 116 12.922 -15.249 -7.307 805 HB3 ASN 116 HB1 ASN 116 11.448 -15.212 -8.257 806 HD21 ASN 116 HD21 ASN 116 10.830 -13.279 -9.255 807 HD22 ASN 116 HD22 ASN 116 11.910 -11.940 -9.417 808 H SER 117 HN SER 117 9.170 -15.025 -4.848 809 HA SER 117 HA SER 117 6.922 -14.930 -5.035 810 HB2 SER 117 HB2 SER 117 6.004 -12.707 -5.708 811 HB3 SER 117 HB1 SER 117 7.291 -12.614 -4.510 812 HG SER 117 HG SER 117 8.340 -12.494 -6.990 813 H ASN 118 HN ASN 118 8.020 -16.437 -7.077 814 HA ASN 118 HA ASN 118 6.326 -15.779 -9.386 815 HB2 ASN 118 HB2 ASN 118 8.701 -16.167 -9.907 816 HB3 ASN 118 HB1 ASN 118 8.602 -17.765 -9.174 817 HD21 ASN 118 HD21 ASN 118 7.636 -15.784 -11.871 818 HD22 ASN 118 HD22 ASN 118 7.175 -17.090 -12.912 Start of MODEL 2 1 H1 HIS 6 HT1 HIS 6 -20.240 -7.227 -5.335 2 H2 HIS 6 HT2 HIS 6 -21.717 -6.442 -5.564 3 H3 HIS 6 HT3 HIS 6 -20.617 -5.851 -4.431 4 HA HIS 6 HA HIS 6 -20.164 -5.991 -7.349 5 HB2 HIS 6 HB2 HIS 6 -20.509 -3.624 -7.457 6 HB3 HIS 6 HB1 HIS 6 -21.899 -4.315 -6.635 7 HD1 HIS 6 HD1 HIS 6 -19.149 -1.892 -6.219 8 HD2 HIS 6 HD2 HIS 6 -22.002 -3.731 -3.822 9 HE1 HIS 6 HE1 HIS 6 -19.180 -0.579 -4.079 10 HE2 HIS 6 HE2 HIS 6 -20.789 -1.809 -2.588 11 H GLN 7 HN GLN 7 -18.852 -5.475 -4.151 12 HA GLN 7 HA GLN 7 -16.562 -4.068 -5.195 13 HB2 GLN 7 HB2 GLN 7 -17.552 -3.526 -2.962 14 HB3 GLN 7 HB1 GLN 7 -16.920 -5.060 -2.387 15 HG2 GLN 7 HG2 GLN 7 -15.308 -3.507 -1.724 16 HG3 GLN 7 HG1 GLN 7 -14.633 -4.213 -3.195 17 HE21 GLN 7 HE21 GLN 7 -13.374 -2.403 -3.586 18 HE22 GLN 7 HE22 GLN 7 -14.045 -0.920 -4.171 19 H ASP 8 HN ASP 8 -17.393 -7.348 -4.562 20 HA ASP 8 HA ASP 8 -14.852 -8.342 -3.922 21 HB2 ASP 8 HB2 ASP 8 -16.826 -9.730 -3.694 22 HB3 ASP 8 HB1 ASP 8 -17.111 -9.671 -5.429 23 H ASN 9 HN ASN 9 -16.297 -7.497 -6.973 24 HA ASN 9 HA ASN 9 -13.949 -8.281 -8.487 25 HB2 ASN 9 HB2 ASN 9 -16.179 -8.436 -9.491 26 HB3 ASN 9 HB1 ASN 9 -16.423 -6.712 -9.256 27 HD21 ASN 9 HD21 ASN 9 -13.402 -8.156 -10.320 28 HD22 ASN 9 HD22 ASN 9 -13.452 -7.507 -11.922 29 H ALA 10 HN ALA 10 -15.403 -5.427 -7.119 30 HA ALA 10 HA ALA 10 -13.859 -3.519 -8.539 31 HB1 ALA 10 HB1 ALA 10 -14.740 -1.902 -7.061 32 HB2 ALA 10 HB2 ALA 10 -15.144 -3.124 -5.854 33 HB3 ALA 10 HB3 ALA 10 -16.026 -3.068 -7.386 34 H ARG 11 HN ARG 11 -13.593 -4.895 -5.286 35 HA ARG 11 HA ARG 11 -11.547 -3.416 -4.234 36 HB2 ARG 11 HB2 ARG 11 -10.914 -5.477 -2.978 37 HB3 ARG 11 HB1 ARG 11 -12.610 -5.065 -2.858 38 HG2 ARG 11 HG2 ARG 11 -12.859 -7.269 -3.260 39 HG3 ARG 11 HG1 ARG 11 -12.687 -6.754 -4.935 40 HD2 ARG 11 HD2 ARG 11 -10.274 -7.253 -4.810 41 HD3 ARG 11 HD1 ARG 11 -10.509 -7.847 -3.167 42 HE ARG 11 HE ARG 11 -12.029 -9.076 -5.351 43 HH11 ARG 11 HH11 ARG 11 -9.593 -9.318 -2.848 44 HH12 ARG 11 HH12 ARG 11 -9.422 -11.036 -3.003 45 HH21 ARG 11 HH21 ARG 11 -11.811 -11.339 -5.546 46 HH22 ARG 11 HH22 ARG 11 -10.685 -12.184 -4.534 47 H LYS 12 HN LYS 12 -11.363 -6.117 -6.405 48 HA LYS 12 HA LYS 12 -8.598 -6.384 -6.499 49 HB2 LYS 12 HB2 LYS 12 -10.303 -8.003 -7.433 50 HB3 LYS 12 HB1 LYS 12 -10.531 -6.879 -8.768 51 HG2 LYS 12 HG2 LYS 12 -9.044 -8.536 -9.511 52 HG3 LYS 12 HG1 LYS 12 -8.080 -7.089 -9.225 53 HD2 LYS 12 HD2 LYS 12 -7.595 -8.045 -6.929 54 HD3 LYS 12 HD1 LYS 12 -8.291 -9.556 -7.520 55 HE2 LYS 12 HE2 LYS 12 -6.672 -9.342 -9.454 56 HE3 LYS 12 HE1 LYS 12 -5.868 -8.100 -8.502 57 HZ1 LYS 12 HZ1 LYS 12 -4.801 -10.198 -8.117 58 HZ2 LYS 12 HZ2 LYS 12 -6.268 -10.938 -7.729 59 HZ3 LYS 12 HZ3 LYS 12 -5.621 -9.758 -6.704 60 H SER 13 HN SER 13 -10.812 -4.678 -8.681 61 HA SER 13 HA SER 13 -8.653 -3.744 -10.306 62 HB2 SER 13 HB2 SER 13 -11.580 -2.958 -10.251 63 HB3 SER 13 HB1 SER 13 -10.438 -2.578 -11.549 64 HG SER 13 HG SER 13 -11.909 -4.641 -11.510 65 H ARG 14 HN ARG 14 -10.842 -2.154 -7.974 66 HA ARG 14 HA ARG 14 -9.984 0.464 -8.476 67 HB2 ARG 14 HB2 ARG 14 -10.981 1.056 -6.304 68 HB3 ARG 14 HB1 ARG 14 -12.057 0.050 -7.260 69 HG2 ARG 14 HG2 ARG 14 -12.225 -1.378 -5.558 70 HG3 ARG 14 HG1 ARG 14 -10.481 -1.647 -5.638 71 HD2 ARG 14 HD2 ARG 14 -11.417 -0.879 -3.412 72 HD3 ARG 14 HD1 ARG 14 -10.037 0.011 -4.030 73 HE ARG 14 HE ARG 14 -12.208 1.410 -4.929 74 HH11 ARG 14 HH11 ARG 14 -11.117 0.368 -1.758 75 HH12 ARG 14 HH12 ARG 14 -11.866 1.695 -0.925 76 HH21 ARG 14 HH21 ARG 14 -13.187 3.141 -3.839 77 HH22 ARG 14 HH22 ARG 14 -13.054 3.267 -2.114 78 H ILE 15 HN ILE 15 -8.719 -1.996 -6.350 79 HA ILE 15 HA ILE 15 -6.926 -0.127 -5.072 80 HB ILE 15 HB ILE 15 -7.108 -3.131 -4.945 81 HG12 ILE 15 HG12 ILE 15 -7.983 -1.080 -2.894 82 HG13 ILE 15 HG11 ILE 15 -9.078 -1.774 -4.086 83 HG21 ILE 15 HG21 ILE 15 -4.877 -2.214 -4.385 84 HG22 ILE 15 HG22 ILE 15 -5.681 -2.931 -2.982 85 HG23 ILE 15 HG23 ILE 15 -5.639 -1.170 -3.175 86 HD11 ILE 15 HD11 ILE 15 -7.508 -3.418 -2.137 87 HD12 ILE 15 HD12 ILE 15 -8.845 -3.936 -3.179 88 HD13 ILE 15 HD13 ILE 15 -9.141 -2.822 -1.829 89 H GLN 16 HN GLN 16 -6.871 -2.785 -7.343 90 HA GLN 16 HA GLN 16 -4.229 -3.267 -7.765 91 HB2 GLN 16 HB2 GLN 16 -6.590 -3.942 -8.966 92 HB3 GLN 16 HB1 GLN 16 -5.709 -3.128 -10.253 93 HG2 GLN 16 HG2 GLN 16 -3.786 -4.648 -9.782 94 HG3 GLN 16 HG1 GLN 16 -4.848 -5.523 -8.675 95 HE21 GLN 16 HE21 GLN 16 -7.194 -5.138 -10.309 96 HE22 GLN 16 HE22 GLN 16 -7.035 -6.199 -11.662 97 H SER 17 HN SER 17 -6.152 -0.687 -9.293 98 HA SER 17 HA SER 17 -4.267 0.210 -11.121 99 HB2 SER 17 HB2 SER 17 -6.205 1.923 -9.547 100 HB3 SER 17 HB1 SER 17 -5.471 2.329 -11.100 101 HG SER 17 HG SER 17 -6.547 0.439 -11.946 102 H GLU 18 HN GLU 18 -4.720 1.171 -7.751 103 HA GLU 18 HA GLU 18 -2.430 2.926 -7.804 104 HB2 GLU 18 HB2 GLU 18 -4.056 2.049 -5.444 105 HB3 GLU 18 HB1 GLU 18 -3.043 3.474 -5.592 106 HG2 GLU 18 HG2 GLU 18 -4.570 4.617 -6.770 107 HG3 GLU 18 HG1 GLU 18 -5.208 3.171 -7.545 108 H HIS 19 HN HIS 19 -3.273 -0.239 -6.523 109 HA HIS 19 HA HIS 19 -1.289 -0.779 -4.745 110 HB2 HIS 19 HB2 HIS 19 -2.736 -2.552 -5.010 111 HB3 HIS 19 HB1 HIS 19 -2.724 -2.464 -6.762 112 HD1 HIS 19 HD1 HIS 19 -0.201 -3.406 -4.040 113 HD2 HIS 19 HD2 HIS 19 -1.454 -4.547 -7.827 114 HE1 HIS 19 HE1 HIS 19 1.172 -5.426 -4.620 115 HE2 HIS 19 HE2 HIS 19 0.535 -5.977 -6.994 116 H ARG 20 HN ARG 20 -0.974 -1.155 -8.272 117 HA ARG 20 HA ARG 20 1.724 -1.796 -8.386 118 HB2 ARG 20 HB2 ARG 20 0.310 0.034 -10.312 119 HB3 ARG 20 HB1 ARG 20 1.685 -1.013 -10.636 120 HG2 ARG 20 HG2 ARG 20 0.217 -2.968 -10.152 121 HG3 ARG 20 HG1 ARG 20 -1.143 -1.844 -10.059 122 HD2 ARG 20 HD2 ARG 20 0.679 -2.221 -12.413 123 HD3 ARG 20 HD1 ARG 20 -0.959 -2.857 -12.272 124 HE ARG 20 HE ARG 20 -0.912 -0.038 -11.893 125 HH11 ARG 20 HH11 ARG 20 -0.742 -2.494 -14.389 126 HH12 ARG 20 HH12 ARG 20 -1.392 -1.461 -15.621 127 HH21 ARG 20 HH21 ARG 20 -1.765 1.314 -13.523 128 HH22 ARG 20 HH22 ARG 20 -1.951 0.703 -15.135 129 H GLU 21 HN GLU 21 0.248 1.454 -8.606 130 HA GLU 21 HA GLU 21 2.487 3.008 -8.738 131 HB2 GLU 21 HB2 GLU 21 0.028 3.694 -7.164 132 HB3 GLU 21 HB1 GLU 21 1.122 4.798 -7.981 133 HG2 GLU 21 HG2 GLU 21 -1.105 3.189 -9.062 134 HG3 GLU 21 HG1 GLU 21 -0.494 4.754 -9.492 135 H LEU 22 HN LEU 22 0.828 1.929 -5.776 136 HA LEU 22 HA LEU 22 2.450 3.390 -4.009 137 HB2 LEU 22 HB2 LEU 22 0.627 1.051 -3.633 138 HB3 LEU 22 HB1 LEU 22 1.641 1.596 -2.311 139 HG LEU 22 HG LEU 22 -0.430 2.652 -1.948 140 HD11 LEU 22 HD11 LEU 22 1.165 4.704 -3.484 141 HD12 LEU 22 HD12 LEU 22 1.577 4.149 -1.860 142 HD13 LEU 22 HD13 LEU 22 0.052 4.983 -2.146 143 HD21 LEU 22 HD21 LEU 22 -1.676 3.835 -3.643 144 HD22 LEU 22 HD22 LEU 22 -1.386 2.172 -4.156 145 HD23 LEU 22 HD23 LEU 22 -0.431 3.489 -4.842 146 H VAL 23 HN VAL 23 2.830 0.086 -5.260 147 HA VAL 23 HA VAL 23 5.099 -0.370 -3.583 148 HB VAL 23 HB VAL 23 4.875 -2.463 -4.137 149 HG11 VAL 23 HG11 VAL 23 2.985 -3.277 -5.285 150 HG12 VAL 23 HG12 VAL 23 2.845 -1.803 -6.239 151 HG13 VAL 23 HG13 VAL 23 2.479 -1.769 -4.516 152 HG21 VAL 23 HG21 VAL 23 5.340 -1.510 -6.929 153 HG22 VAL 23 HG22 VAL 23 5.144 -3.223 -6.521 154 HG23 VAL 23 HG23 VAL 23 6.480 -2.293 -5.812 155 H SER 24 HN SER 24 4.598 0.647 -6.915 156 HA SER 24 HA SER 24 7.286 0.856 -7.661 157 HB2 SER 24 HB2 SER 24 4.918 2.590 -8.360 158 HB3 SER 24 HB1 SER 24 6.464 2.636 -9.205 159 HG SER 24 HG SER 24 4.408 1.006 -9.611 160 H ALA 25 HN ALA 25 5.309 2.701 -5.515 161 HA ALA 25 HA ALA 25 7.220 4.867 -5.180 162 HB1 ALA 25 HB1 ALA 25 5.742 5.733 -3.544 163 HB2 ALA 25 HB2 ALA 25 4.961 4.164 -3.324 164 HB3 ALA 25 HB3 ALA 25 4.701 5.071 -4.824 165 H ILE 26 HN ILE 26 6.381 1.821 -3.556 166 HA ILE 26 HA ILE 26 7.977 2.171 -1.296 167 HB ILE 26 HB ILE 26 6.754 -0.170 -2.652 168 HG12 ILE 26 HG12 ILE 26 7.047 0.842 0.159 169 HG13 ILE 26 HG11 ILE 26 5.605 0.871 -0.852 170 HG21 ILE 26 HG21 ILE 26 7.987 -1.838 -1.416 171 HG22 ILE 26 HG22 ILE 26 9.012 -0.594 -0.701 172 HG23 ILE 26 HG23 ILE 26 9.107 -0.924 -2.433 173 HD11 ILE 26 HD11 ILE 26 5.370 -1.475 -0.707 174 HD12 ILE 26 HD12 ILE 26 5.609 -0.855 0.940 175 HD13 ILE 26 HD13 ILE 26 6.938 -1.644 0.081 176 H GLN 27 HN GLN 27 8.701 0.712 -4.420 177 HA GLN 27 HA GLN 27 11.381 0.099 -3.989 178 HB2 GLN 27 HB2 GLN 27 10.003 0.941 -6.545 179 HB3 GLN 27 HB1 GLN 27 11.565 0.132 -6.453 180 HG2 GLN 27 HG2 GLN 27 10.433 -1.787 -5.373 181 HG3 GLN 27 HG1 GLN 27 8.903 -0.962 -5.596 182 HE21 GLN 27 HE21 GLN 27 8.123 -2.637 -6.880 183 HE22 GLN 27 HE22 GLN 27 8.644 -2.869 -8.509 184 H SER 28 HN SER 28 9.796 3.087 -4.755 185 HA SER 28 HA SER 28 12.159 4.578 -5.360 186 HB2 SER 28 HB2 SER 28 9.310 5.384 -4.753 187 HB3 SER 28 HB1 SER 28 10.552 6.495 -5.305 188 HG SER 28 HG SER 28 9.348 4.343 -6.683 189 H TYR 29 HN TYR 29 9.853 4.610 -2.630 190 HA TYR 29 HA TYR 29 11.134 6.292 -0.857 191 HB2 TYR 29 HB2 TYR 29 8.884 5.311 -0.562 192 HB3 TYR 29 HB1 TYR 29 9.609 3.739 -0.275 193 HD1 TYR 29 HD1 TYR 29 7.661 4.744 1.697 194 HD2 TYR 29 HD2 TYR 29 11.842 5.516 1.367 195 HE1 TYR 29 HE1 TYR 29 7.762 5.289 4.086 196 HE2 TYR 29 HE2 TYR 29 11.937 6.055 3.761 197 HH TYR 29 HH TYR 29 10.378 6.839 5.528 198 H ILE 30 HN ILE 30 11.434 2.774 -1.104 199 HA ILE 30 HA ILE 30 13.311 2.463 0.934 200 HB ILE 30 HB ILE 30 12.609 0.761 -1.440 201 HG12 ILE 30 HG12 ILE 30 11.869 0.713 1.491 202 HG13 ILE 30 HG11 ILE 30 10.828 1.158 0.151 203 HG21 ILE 30 HG21 ILE 30 14.413 0.109 0.878 204 HG22 ILE 30 HG22 ILE 30 14.828 0.125 -0.835 205 HG23 ILE 30 HG23 ILE 30 13.717 -1.094 -0.207 206 HD11 ILE 30 HD11 ILE 30 11.934 -1.568 0.733 207 HD12 ILE 30 HD12 ILE 30 10.985 -1.137 -0.691 208 HD13 ILE 30 HD13 ILE 30 10.264 -1.023 0.914 209 H GLY 31 HN GLY 31 13.739 3.032 -2.528 210 HA2 GLY 31 HA2 GLY 31 16.576 2.693 -2.482 211 HA3 GLY 31 HA1 GLY 31 15.646 3.480 -3.751 212 H ALA 32 HN ALA 32 14.482 5.170 -1.472 213 HA ALA 32 HA ALA 32 16.460 7.293 -1.640 214 HB1 ALA 32 HB1 ALA 32 14.010 7.647 -2.055 215 HB2 ALA 32 HB2 ALA 32 14.737 8.733 -0.869 216 HB3 ALA 32 HB3 ALA 32 13.761 7.367 -0.330 217 H GLN 33 HN GLN 33 15.345 4.934 0.577 218 HA GLN 33 HA GLN 33 15.661 6.277 2.980 219 HB2 GLN 33 HB2 GLN 33 15.761 3.382 2.263 220 HB3 GLN 33 HB1 GLN 33 16.005 3.939 3.916 221 HG2 GLN 33 HG2 GLN 33 13.679 5.103 2.628 222 HG3 GLN 33 HG1 GLN 33 13.607 3.359 2.770 223 HE21 GLN 33 HE21 GLN 33 15.249 5.518 4.995 224 HE22 GLN 33 HE22 GLN 33 14.211 5.227 6.340 225 H ASP 34 HN ASP 34 17.239 5.994 4.613 226 HA ASP 34 HA ASP 34 19.897 6.398 3.906 227 HB2 ASP 34 HB2 ASP 34 18.691 6.898 6.101 228 HB3 ASP 34 HB1 ASP 34 19.004 5.220 6.517 229 H ASP 35 HN ASP 35 18.095 3.556 4.604 230 HA ASP 35 HA ASP 35 20.172 1.971 3.324 231 HB2 ASP 35 HB2 ASP 35 18.907 1.157 5.947 232 HB3 ASP 35 HB1 ASP 35 19.788 0.065 4.900 233 HA PRO 36 HA PRO 36 16.320 0.746 1.332 234 HB2 PRO 36 HB2 PRO 36 17.454 -0.315 -0.815 235 HB3 PRO 36 HB1 PRO 36 17.486 1.432 -0.573 236 HG2 PRO 36 HG2 PRO 36 19.611 -0.564 0.165 237 HG3 PRO 36 HG1 PRO 36 19.783 0.872 -0.860 238 HD2 PRO 36 HD2 PRO 36 20.413 0.993 1.717 239 HD3 PRO 36 HD1 PRO 36 19.544 2.337 0.945 240 H THR 37 HN THR 37 18.715 -0.812 2.834 241 HA THR 37 HA THR 37 18.237 -3.491 1.965 242 HB THR 37 HB THR 37 20.056 -4.071 3.388 243 HG1 THR 37 HG1 THR 37 20.280 -3.116 5.275 244 HG21 THR 37 HG21 THR 37 20.537 -1.229 2.469 245 HG22 THR 37 HG22 THR 37 20.665 -2.658 1.437 246 HG23 THR 37 HG23 THR 37 21.775 -2.446 2.792 247 H ASN 38 HN ASN 38 17.331 -1.454 4.586 248 HA ASN 38 HA ASN 38 15.208 -3.229 5.343 249 HB2 ASN 38 HB2 ASN 38 17.234 -4.061 6.534 250 HB3 ASN 38 HB1 ASN 38 17.316 -2.522 7.383 251 HD21 ASN 38 HD21 ASN 38 17.044 -3.504 9.377 252 HD22 ASN 38 HD22 ASN 38 15.519 -4.133 9.899 253 HA PRO 39 HA PRO 39 14.656 1.462 5.664 254 HB2 PRO 39 HB2 PRO 39 12.271 1.380 4.286 255 HB3 PRO 39 HB1 PRO 39 13.850 1.729 3.579 256 HG2 PRO 39 HG2 PRO 39 12.345 -0.846 3.637 257 HG3 PRO 39 HG1 PRO 39 13.282 -0.120 2.331 258 HD2 PRO 39 HD2 PRO 39 14.272 -2.107 3.770 259 HD3 PRO 39 HD1 PRO 39 15.296 -0.775 3.224 260 H SER 40 HN SER 40 12.680 2.631 6.414 261 HA SER 40 HA SER 40 11.712 1.430 8.818 262 HB2 SER 40 HB2 SER 40 10.971 4.046 7.485 263 HB3 SER 40 HB1 SER 40 10.523 3.578 9.123 264 HG SER 40 HG SER 40 13.186 3.295 8.727 265 H GLU 41 HN GLU 41 9.232 2.134 9.224 266 HA GLU 41 HA GLU 41 7.636 0.387 7.674 267 HB2 GLU 41 HB2 GLU 41 6.889 0.633 9.862 268 HB3 GLU 41 HB1 GLU 41 7.175 2.362 9.874 269 HG2 GLU 41 HG2 GLU 41 5.266 2.710 8.474 270 HG3 GLU 41 HG1 GLU 41 4.954 0.975 8.409 271 H ILE 42 HN ILE 42 6.301 0.781 6.027 272 HA ILE 42 HA ILE 42 6.585 3.413 4.805 273 HB ILE 42 HB ILE 42 6.306 0.659 3.663 274 HG12 ILE 42 HG12 ILE 42 8.380 2.819 3.691 275 HG13 ILE 42 HG11 ILE 42 8.544 1.108 4.066 276 HG21 ILE 42 HG21 ILE 42 5.987 1.545 1.504 277 HG22 ILE 42 HG22 ILE 42 6.236 3.196 2.062 278 HG23 ILE 42 HG23 ILE 42 4.788 2.313 2.541 279 HD11 ILE 42 HD11 ILE 42 8.159 2.310 1.351 280 HD12 ILE 42 HD12 ILE 42 8.275 0.583 1.699 281 HD13 ILE 42 HD13 ILE 42 9.656 1.639 2.005 282 H THR 43 HN THR 43 4.827 4.610 4.561 283 HA THR 43 HA THR 43 2.236 3.260 4.325 284 HB THR 43 HB THR 43 1.155 5.106 5.555 285 HG1 THR 43 HG1 THR 43 2.771 6.311 6.952 286 HG21 THR 43 HG21 THR 43 1.753 3.000 6.693 287 HG22 THR 43 HG22 THR 43 1.791 4.385 7.786 288 HG23 THR 43 HG23 THR 43 3.301 3.714 7.160 289 H LEU 44 HN LEU 44 0.570 4.783 3.451 290 HA LEU 44 HA LEU 44 1.438 5.664 0.935 291 HB2 LEU 44 HB2 LEU 44 -1.057 6.427 2.370 292 HB3 LEU 44 HB1 LEU 44 -0.785 6.479 0.659 293 HG LEU 44 HG LEU 44 -1.163 4.105 2.401 294 HD11 LEU 44 HD11 LEU 44 -3.160 3.991 1.461 295 HD12 LEU 44 HD12 LEU 44 -2.499 4.250 -0.153 296 HD13 LEU 44 HD13 LEU 44 -2.853 5.628 0.886 297 HD21 LEU 44 HD21 LEU 44 -0.589 2.695 0.491 298 HD22 LEU 44 HD22 LEU 44 0.789 3.655 1.018 299 HD23 LEU 44 HD23 LEU 44 -0.117 4.128 -0.417 300 H ALA 45 HN ALA 45 0.754 7.254 3.927 301 HA ALA 45 HA ALA 45 0.902 9.915 3.029 302 HB1 ALA 45 HB1 ALA 45 1.072 10.464 5.406 303 HB2 ALA 45 HB2 ALA 45 1.387 8.764 5.779 304 HB3 ALA 45 HB3 ALA 45 -0.189 9.256 5.112 305 H LYS 46 HN LYS 46 3.286 7.548 3.855 306 HA LYS 46 HA LYS 46 5.509 9.393 3.851 307 HB2 LYS 46 HB2 LYS 46 5.299 6.417 3.966 308 HB3 LYS 46 HB1 LYS 46 6.815 7.274 4.004 309 HG2 LYS 46 HG2 LYS 46 6.215 8.329 6.075 310 HG3 LYS 46 HG1 LYS 46 4.610 7.594 6.008 311 HD2 LYS 46 HD2 LYS 46 5.759 5.361 5.966 312 HD3 LYS 46 HD1 LYS 46 7.260 6.216 6.343 313 HE2 LYS 46 HE2 LYS 46 4.739 6.314 7.968 314 HE3 LYS 46 HE1 LYS 46 6.139 5.281 8.313 315 HZ1 LYS 46 HZ1 LYS 46 7.484 7.296 8.551 316 HZ2 LYS 46 HZ2 LYS 46 6.211 7.268 9.659 317 HZ3 LYS 46 HZ3 LYS 46 6.117 8.256 8.291 318 H LEU 47 HN LEU 47 3.971 7.074 1.750 319 HA LEU 47 HA LEU 47 6.015 6.977 -0.209 320 HB2 LEU 47 HB2 LEU 47 3.139 6.123 -0.130 321 HB3 LEU 47 HB1 LEU 47 4.113 5.948 -1.578 322 HG LEU 47 HG LEU 47 4.688 4.682 1.098 323 HD11 LEU 47 HD11 LEU 47 3.696 3.481 -1.481 324 HD12 LEU 47 HD12 LEU 47 2.758 3.697 -0.002 325 HD13 LEU 47 HD13 LEU 47 4.129 2.588 -0.023 326 HD21 LEU 47 HD21 LEU 47 6.092 4.409 -1.555 327 HD22 LEU 47 HD22 LEU 47 6.424 3.448 -0.116 328 HD23 LEU 47 HD23 LEU 47 6.734 5.183 -0.109 329 H ALA 48 HN ALA 48 3.724 9.300 0.559 330 HA ALA 48 HA ALA 48 2.665 10.279 -1.735 331 HB1 ALA 48 HB1 ALA 48 3.798 12.181 0.274 332 HB2 ALA 48 HB2 ALA 48 2.442 11.129 0.674 333 HB3 ALA 48 HB3 ALA 48 2.299 12.293 -0.645 334 HA PRO 49 HA PRO 49 6.566 13.054 -2.676 335 HB2 PRO 49 HB2 PRO 49 8.673 11.515 -1.268 336 HB3 PRO 49 HB1 PRO 49 8.458 13.253 -1.408 337 HG2 PRO 49 HG2 PRO 49 7.929 12.077 0.879 338 HG3 PRO 49 HG1 PRO 49 6.804 13.303 0.251 339 HD2 PRO 49 HD2 PRO 49 6.631 10.317 0.054 340 HD3 PRO 49 HD1 PRO 49 5.392 11.460 0.594 341 H TYR 50 HN TYR 50 6.437 9.642 -2.607 342 HA TYR 50 HA TYR 50 8.357 9.386 -4.814 343 HB2 TYR 50 HB2 TYR 50 7.202 7.209 -3.073 344 HB3 TYR 50 HB1 TYR 50 8.542 7.067 -4.204 345 HD1 TYR 50 HD1 TYR 50 10.637 8.474 -3.741 346 HD2 TYR 50 HD2 TYR 50 7.588 7.786 -0.865 347 HE1 TYR 50 HE1 TYR 50 12.192 9.124 -1.953 348 HE2 TYR 50 HE2 TYR 50 9.135 8.433 0.942 349 HH TYR 50 HH TYR 50 11.507 8.623 1.370 350 H MET 51 HN MET 51 5.128 9.692 -4.294 351 HA MET 51 HA MET 51 4.252 7.863 -6.364 352 HB2 MET 51 HB2 MET 51 2.701 10.035 -4.951 353 HB3 MET 51 HB1 MET 51 2.030 8.757 -5.954 354 HG2 MET 51 HG2 MET 51 3.451 8.385 -3.331 355 HG3 MET 51 HG1 MET 51 1.712 8.293 -3.597 356 HE1 MET 51 HE1 MET 51 1.629 5.098 -5.972 357 HE2 MET 51 HE2 MET 51 1.617 6.815 -6.380 358 HE3 MET 51 HE3 MET 51 0.580 6.205 -5.087 359 H SER 52 HN SER 52 2.748 8.900 -8.061 360 HA SER 52 HA SER 52 3.641 11.517 -8.949 361 HB2 SER 52 HB2 SER 52 5.245 9.881 -9.943 362 HB3 SER 52 HB1 SER 52 3.890 9.096 -10.751 363 HG SER 52 HG SER 52 4.379 11.859 -11.072 364 H LYS 53 HN LYS 53 1.595 8.684 -9.480 365 HA LYS 53 HA LYS 53 -0.190 10.020 -11.226 366 HB2 LYS 53 HB2 LYS 53 -0.650 7.885 -11.662 367 HB3 LYS 53 HB1 LYS 53 0.288 7.364 -10.277 368 HG2 LYS 53 HG2 LYS 53 -2.541 8.266 -9.973 369 HG3 LYS 53 HG1 LYS 53 -2.156 6.629 -10.492 370 HD2 LYS 53 HD2 LYS 53 -0.933 6.231 -8.434 371 HD3 LYS 53 HD1 LYS 53 -1.178 7.913 -7.933 372 HE2 LYS 53 HE2 LYS 53 -2.720 6.030 -6.995 373 HE3 LYS 53 HE1 LYS 53 -3.410 7.593 -7.466 374 HZ1 LYS 53 HZ1 LYS 53 -4.745 5.768 -8.301 375 HZ2 LYS 53 HZ2 LYS 53 -3.413 5.105 -9.102 376 HZ3 LYS 53 HZ3 LYS 53 -4.038 6.593 -9.594 377 H ASN 54 HN ASN 54 -1.585 11.521 -10.635 378 HA ASN 54 HA ASN 54 -3.184 12.687 -9.484 379 HB2 ASN 54 HB2 ASN 54 -3.953 10.165 -9.599 380 HB3 ASN 54 HB1 ASN 54 -3.765 10.257 -7.864 381 HD21 ASN 54 HD21 ASN 54 -4.597 13.056 -7.706 382 HD22 ASN 54 HD22 ASN 54 -6.306 13.065 -7.972 383 H ALA 55 HN ALA 55 -0.425 12.139 -8.206 384 HA ALA 55 HA ALA 55 -1.146 12.663 -5.404 385 HB1 ALA 55 HB1 ALA 55 1.022 10.722 -6.129 386 HB2 ALA 55 HB2 ALA 55 -0.664 10.208 -6.006 387 HB3 ALA 55 HB3 ALA 55 0.159 10.908 -4.599 388 H LYS 56 HN LYS 56 0.591 13.463 -4.076 389 HA LYS 56 HA LYS 56 3.011 14.428 -5.197 390 HB2 LYS 56 HB2 LYS 56 1.431 16.048 -6.199 391 HB3 LYS 56 HB1 LYS 56 0.887 16.483 -4.590 392 HG2 LYS 56 HG2 LYS 56 2.376 18.176 -5.283 393 HG3 LYS 56 HG1 LYS 56 3.238 17.205 -4.092 394 HD2 LYS 56 HD2 LYS 56 3.548 16.410 -6.925 395 HD3 LYS 56 HD1 LYS 56 4.299 17.931 -6.447 396 HE2 LYS 56 HE2 LYS 56 5.534 16.799 -4.693 397 HE3 LYS 56 HE1 LYS 56 4.737 15.279 -5.079 398 HZ1 LYS 56 HZ1 LYS 56 5.771 15.322 -7.257 399 HZ2 LYS 56 HZ2 LYS 56 6.949 15.405 -6.050 400 HZ3 LYS 56 HZ3 LYS 56 6.518 16.796 -6.906 401 H ASN 57 HN ASN 57 0.752 15.694 -2.746 402 HA ASN 57 HA ASN 57 2.769 15.119 -0.703 403 HB2 ASN 57 HB2 ASN 57 0.464 17.068 -0.725 404 HB3 ASN 57 HB1 ASN 57 1.354 16.655 0.737 405 HD21 ASN 57 HD21 ASN 57 3.469 17.361 0.970 406 HD22 ASN 57 HD22 ASN 57 4.134 18.610 -0.021 407 H GLU 58 HN GLU 58 1.527 14.839 1.502 408 HA GLU 58 HA GLU 58 0.377 12.305 1.416 409 HB2 GLU 58 HB2 GLU 58 0.836 12.394 3.580 410 HB3 GLU 58 HB1 GLU 58 1.298 14.072 3.362 411 HG2 GLU 58 HG2 GLU 58 -1.064 14.695 3.715 412 HG3 GLU 58 HG1 GLU 58 -1.373 13.017 4.170 413 H ASP 59 HN ASP 59 -1.105 15.471 1.662 414 HA ASP 59 HA ASP 59 -3.766 14.623 2.006 415 HB2 ASP 59 HB2 ASP 59 -3.117 16.892 2.501 416 HB3 ASP 59 HB1 ASP 59 -2.616 17.150 0.841 417 H GLY 60 HN GLY 60 -1.735 14.994 -0.794 418 HA2 GLY 60 HA2 GLY 60 -4.023 14.609 -2.577 419 HA3 GLY 60 HA1 GLY 60 -2.445 15.198 -3.054 420 H ILE 61 HN ILE 61 -2.166 12.523 -0.989 421 HA ILE 61 HA ILE 61 -2.030 10.757 -3.313 422 HB ILE 61 HB ILE 61 0.163 10.960 -2.424 423 HG12 ILE 61 HG12 ILE 61 0.700 8.722 -1.894 424 HG13 ILE 61 HG11 ILE 61 -0.910 8.408 -1.245 425 HG21 ILE 61 HG21 ILE 61 0.741 10.482 -0.107 426 HG22 ILE 61 HG22 ILE 61 -0.967 10.287 0.275 427 HG23 ILE 61 HG23 ILE 61 -0.354 11.856 -0.241 428 HD11 ILE 61 HD11 ILE 61 -0.316 9.019 -4.146 429 HD12 ILE 61 HD12 ILE 61 -1.862 8.507 -3.458 430 HD13 ILE 61 HD13 ILE 61 -0.488 7.395 -3.482 431 H VAL 62 HN VAL 62 -2.606 10.684 0.139 432 HA VAL 62 HA VAL 62 -3.505 8.020 0.131 433 HB VAL 62 HB VAL 62 -3.811 10.200 2.182 434 HG11 VAL 62 HG11 VAL 62 -4.081 7.243 2.590 435 HG12 VAL 62 HG12 VAL 62 -5.463 8.334 2.417 436 HG13 VAL 62 HG13 VAL 62 -4.344 8.521 3.773 437 HG21 VAL 62 HG21 VAL 62 -2.062 8.034 2.798 438 HG22 VAL 62 HG22 VAL 62 -1.715 9.768 2.717 439 HG23 VAL 62 HG23 VAL 62 -1.615 8.772 1.254 440 H ASN 63 HN ASN 63 -5.220 11.095 0.158 441 HA ASN 63 HA ASN 63 -7.792 9.818 0.151 442 HB2 ASN 63 HB2 ASN 63 -7.280 12.153 1.048 443 HB3 ASN 63 HB1 ASN 63 -7.256 12.677 -0.633 444 HD21 ASN 63 HD21 ASN 63 -9.037 14.001 -0.396 445 HD22 ASN 63 HD22 ASN 63 -10.638 13.376 -0.196 446 H SER 64 HN SER 64 -5.458 10.705 -2.187 447 HA SER 64 HA SER 64 -7.134 10.710 -4.502 448 HB2 SER 64 HB2 SER 64 -4.176 10.487 -4.012 449 HB3 SER 64 HB1 SER 64 -4.823 10.275 -5.635 450 HG SER 64 HG SER 64 -4.195 12.454 -5.163 451 H LEU 65 HN LEU 65 -5.609 8.386 -2.547 452 HA LEU 65 HA LEU 65 -5.808 6.206 -4.438 453 HB2 LEU 65 HB2 LEU 65 -4.889 6.329 -1.576 454 HB3 LEU 65 HB1 LEU 65 -4.855 4.887 -2.572 455 HG LEU 65 HG LEU 65 -3.342 7.415 -3.150 456 HD11 LEU 65 HD11 LEU 65 -1.391 6.153 -2.447 457 HD12 LEU 65 HD12 LEU 65 -2.413 4.781 -2.033 458 HD13 LEU 65 HD13 LEU 65 -2.552 6.290 -1.131 459 HD21 LEU 65 HD21 LEU 65 -3.804 6.256 -5.166 460 HD22 LEU 65 HD22 LEU 65 -3.427 4.709 -4.414 461 HD23 LEU 65 HD23 LEU 65 -2.138 5.875 -4.718 462 H ALA 66 HN ALA 66 -6.837 4.178 -3.795 463 HA ALA 66 HA ALA 66 -9.492 4.313 -3.119 464 HB1 ALA 66 HB1 ALA 66 -9.392 1.934 -2.604 465 HB2 ALA 66 HB2 ALA 66 -7.628 2.023 -2.487 466 HB3 ALA 66 HB3 ALA 66 -8.420 2.285 -4.047 467 H LYS 67 HN LYS 67 -10.647 4.308 -1.329 468 HA LYS 67 HA LYS 67 -9.173 4.532 1.187 469 HB2 LYS 67 HB2 LYS 67 -11.926 5.601 0.594 470 HB3 LYS 67 HB1 LYS 67 -10.956 5.916 2.020 471 HG2 LYS 67 HG2 LYS 67 -10.502 6.910 -0.774 472 HG3 LYS 67 HG1 LYS 67 -10.876 7.851 0.662 473 HD2 LYS 67 HD2 LYS 67 -8.370 6.225 0.483 474 HD3 LYS 67 HD1 LYS 67 -8.460 7.836 -0.220 475 HE2 LYS 67 HE2 LYS 67 -8.760 7.052 2.669 476 HE3 LYS 67 HE1 LYS 67 -7.512 8.079 1.949 477 HZ1 LYS 67 HZ1 LYS 67 -9.373 9.652 1.375 478 HZ2 LYS 67 HZ2 LYS 67 -9.055 9.493 3.029 479 HZ3 LYS 67 HZ3 LYS 67 -10.392 8.713 2.349 480 H ASP 68 HN ASP 68 -9.729 3.235 2.861 481 HA ASP 68 HA ASP 68 -11.301 0.931 2.136 482 HB2 ASP 68 HB2 ASP 68 -9.217 0.633 3.435 483 HB3 ASP 68 HB1 ASP 68 -9.914 1.541 4.772 484 H LYS 69 HN LYS 69 -13.039 0.129 3.621 485 HA LYS 69 HA LYS 69 -14.890 2.330 3.902 486 HB2 LYS 69 HB2 LYS 69 -15.582 0.297 2.761 487 HB3 LYS 69 HB1 LYS 69 -15.339 -0.605 4.245 488 HG2 LYS 69 HG2 LYS 69 -17.157 0.378 5.304 489 HG3 LYS 69 HG1 LYS 69 -17.200 1.729 4.168 490 HD2 LYS 69 HD2 LYS 69 -19.035 0.261 3.696 491 HD3 LYS 69 HD1 LYS 69 -17.856 0.149 2.390 492 HE2 LYS 69 HE2 LYS 69 -16.990 -1.920 3.316 493 HE3 LYS 69 HE1 LYS 69 -18.100 -1.798 4.681 494 HZ1 LYS 69 HZ1 LYS 69 -19.942 -1.890 3.050 495 HZ2 LYS 69 HZ2 LYS 69 -19.014 -3.301 3.096 496 HZ3 LYS 69 HZ3 LYS 69 -18.813 -2.199 1.832 497 H SER 70 HN SER 70 -13.622 -0.233 6.033 498 HA SER 70 HA SER 70 -14.953 1.129 8.264 499 HB2 SER 70 HB2 SER 70 -13.778 -1.643 8.208 500 HB3 SER 70 HB1 SER 70 -14.800 -0.956 9.468 501 HG SER 70 HG SER 70 -15.467 -1.983 6.983 502 H GLY 71 HN GLY 71 -11.800 0.028 7.152 503 HA2 GLY 71 HA2 GLY 71 -9.685 0.530 7.925 504 HA3 GLY 71 HA1 GLY 71 -10.417 1.731 8.983 505 H ASN 72 HN ASN 72 -11.694 -1.406 9.185 506 HA ASN 72 HA ASN 72 -11.376 -1.610 11.937 507 HB2 ASN 72 HB2 ASN 72 -13.052 -2.817 10.499 508 HB3 ASN 72 HB1 ASN 72 -11.767 -3.916 10.019 509 HD21 ASN 72 HD21 ASN 72 -14.284 -4.411 11.408 510 HD22 ASN 72 HD22 ASN 72 -13.863 -5.205 12.886 511 H SER 73 HN SER 73 -9.370 -2.843 9.325 512 HA SER 73 HA SER 73 -7.783 -4.473 11.089 513 HB2 SER 73 HB2 SER 73 -7.248 -3.817 8.191 514 HB3 SER 73 HB1 SER 73 -6.649 -5.201 9.106 515 HG SER 73 HG SER 73 -8.576 -6.150 8.989 516 H SER 74 HN SER 74 -7.876 -1.298 10.872 517 HA SER 74 HA SER 74 -6.484 0.439 11.276 518 HB2 SER 74 HB2 SER 74 -4.629 -1.727 12.286 519 HB3 SER 74 HB1 SER 74 -4.501 -0.007 12.654 520 HG SER 74 HG SER 74 -6.979 -1.056 13.172 521 H THR 75 HN THR 75 -6.420 0.575 8.905 522 HA THR 75 HA THR 75 -4.436 -0.712 7.367 523 HB THR 75 HB THR 75 -6.644 0.184 6.548 524 HG1 THR 75 HG1 THR 75 -5.602 1.042 4.531 525 HG21 THR 75 HG21 THR 75 -5.205 2.809 6.262 526 HG22 THR 75 HG22 THR 75 -6.239 2.449 7.652 527 HG23 THR 75 HG23 THR 75 -6.922 2.456 6.024 528 H SER 76 HN SER 76 -4.255 2.055 9.361 529 HA SER 76 HA SER 76 -2.500 3.350 9.974 530 HB2 SER 76 HB2 SER 76 -0.871 1.759 7.981 531 HB3 SER 76 HB1 SER 76 -0.232 2.816 9.241 532 HG SER 76 HG SER 76 -1.879 0.551 9.732 533 H ALA 77 HN ALA 77 -2.694 2.874 6.446 534 HA ALA 77 HA ALA 77 -1.957 5.570 5.814 535 HB1 ALA 77 HB1 ALA 77 -2.858 5.115 3.614 536 HB2 ALA 77 HB2 ALA 77 -3.663 3.656 4.223 537 HB3 ALA 77 HB3 ALA 77 -1.898 3.725 4.150 538 HA PRO 78 HA PRO 78 -5.456 7.474 7.666 539 HB2 PRO 78 HB2 PRO 78 -4.946 9.421 5.469 540 HB3 PRO 78 HB1 PRO 78 -5.221 9.734 7.181 541 HG2 PRO 78 HG2 PRO 78 -2.778 9.862 6.208 542 HG3 PRO 78 HG1 PRO 78 -3.066 9.023 7.743 543 HD2 PRO 78 HD2 PRO 78 -2.576 7.876 5.043 544 HD3 PRO 78 HD1 PRO 78 -2.005 7.318 6.627 545 H GLY 79 HN GLY 79 -7.216 6.285 7.239 546 HA2 GLY 79 HA2 GLY 79 -9.174 5.592 6.294 547 HA3 GLY 79 HA1 GLY 79 -9.151 7.103 5.411 548 H SER 80 HN SER 80 -6.429 5.129 4.647 549 HA SER 80 HA SER 80 -7.639 4.773 1.984 550 HB2 SER 80 HB2 SER 80 -5.415 5.956 2.372 551 HB3 SER 80 HB1 SER 80 -4.740 4.358 2.651 552 HG SER 80 HG SER 80 -6.250 4.968 0.334 553 H ALA 81 HN ALA 81 -7.086 2.967 0.717 554 HA ALA 81 HA ALA 81 -7.497 0.493 2.186 555 HB1 ALA 81 HB1 ALA 81 -8.981 1.144 0.315 556 HB2 ALA 81 HB2 ALA 81 -8.187 -0.416 0.049 557 HB3 ALA 81 HB3 ALA 81 -7.599 1.033 -0.776 558 H HIS 82 HN HIS 82 -4.830 1.850 2.033 559 HA HIS 82 HA HIS 82 -3.418 -0.501 1.017 560 HB2 HIS 82 HB2 HIS 82 -2.568 2.366 0.702 561 HB3 HIS 82 HB1 HIS 82 -1.557 0.995 0.359 562 HD1 HIS 82 HD1 HIS 82 -2.463 -0.561 -1.712 563 HD2 HIS 82 HD2 HIS 82 -4.213 3.190 -1.298 564 HE1 HIS 82 HE1 HIS 82 -3.600 -0.089 -3.906 565 HE2 HIS 82 HE2 HIS 82 -4.792 2.114 -3.576 566 H GLN 83 HN GLN 83 -2.149 -1.442 2.465 567 HA GLN 83 HA GLN 83 -0.872 0.130 4.565 568 HB2 GLN 83 HB2 GLN 83 -2.853 -0.574 5.724 569 HB3 GLN 83 HB1 GLN 83 -2.721 -2.201 5.069 570 HG2 GLN 83 HG2 GLN 83 -0.683 -2.568 6.355 571 HG3 GLN 83 HG1 GLN 83 -0.798 -0.935 7.005 572 HE21 GLN 83 HE21 GLN 83 -0.851 -1.761 9.095 573 HE22 GLN 83 HE22 GLN 83 -2.288 -2.474 9.746 574 H ILE 84 HN ILE 84 1.186 -0.431 4.515 575 HA ILE 84 HA ILE 84 1.917 -2.937 3.306 576 HB ILE 84 HB ILE 84 3.306 -0.408 4.011 577 HG12 ILE 84 HG12 ILE 84 3.821 -1.525 1.440 578 HG13 ILE 84 HG11 ILE 84 2.091 -1.624 1.769 579 HG21 ILE 84 HG21 ILE 84 4.847 -2.137 4.756 580 HG22 ILE 84 HG22 ILE 84 5.441 -1.370 3.283 581 HG23 ILE 84 HG23 ILE 84 4.691 -2.964 3.207 582 HD11 ILE 84 HD11 ILE 84 2.194 0.823 2.351 583 HD12 ILE 84 HD12 ILE 84 2.502 0.435 0.659 584 HD13 ILE 84 HD13 ILE 84 3.848 0.825 1.730 585 H ASP 85 HN ASP 85 2.642 -4.659 4.316 586 HA ASP 85 HA ASP 85 2.751 -4.768 7.204 587 HB2 ASP 85 HB2 ASP 85 1.853 -6.662 5.791 588 HB3 ASP 85 HB1 ASP 85 3.480 -6.899 5.177 589 H THR 86 HN THR 86 4.533 -4.110 8.232 590 HA THR 86 HA THR 86 7.021 -3.942 6.779 591 HB THR 86 HB THR 86 7.807 -2.792 8.841 592 HG1 THR 86 HG1 THR 86 6.619 -2.973 10.579 593 HG21 THR 86 HG21 THR 86 6.896 -1.573 6.951 594 HG22 THR 86 HG22 THR 86 6.371 -0.813 8.459 595 HG23 THR 86 HG23 THR 86 5.257 -1.837 7.549 596 H THR 87 HN THR 87 5.532 -6.097 8.902 597 HA THR 87 HA THR 87 7.737 -7.233 10.213 598 HB THR 87 HB THR 87 5.202 -8.624 9.333 599 HG1 THR 87 HG1 THR 87 4.209 -7.589 10.898 600 HG21 THR 87 HG21 THR 87 6.929 -10.151 10.093 601 HG22 THR 87 HG22 THR 87 5.629 -10.060 11.282 602 HG23 THR 87 HG23 THR 87 7.145 -9.204 11.565 603 H ASN 88 HN ASN 88 5.968 -8.405 7.337 604 HA ASN 88 HA ASN 88 8.301 -10.021 6.590 605 HB2 ASN 88 HB2 ASN 88 5.495 -9.934 5.464 606 HB3 ASN 88 HB1 ASN 88 6.769 -11.004 4.887 607 HD21 ASN 88 HD21 ASN 88 7.412 -12.738 6.160 608 HD22 ASN 88 HD22 ASN 88 6.471 -13.293 7.501 609 H HIS 89 HN HIS 89 6.846 -7.079 5.929 610 HA HIS 89 HA HIS 89 7.521 -5.313 4.692 611 HB2 HIS 89 HB2 HIS 89 9.727 -7.214 3.994 612 HB3 HIS 89 HB1 HIS 89 9.518 -5.732 3.072 613 HD1 HIS 89 HD1 HIS 89 11.492 -6.877 5.686 614 HD2 HIS 89 HD2 HIS 89 9.172 -3.472 5.170 615 HE1 HIS 89 HE1 HIS 89 12.413 -5.185 7.296 616 HE2 HIS 89 HE2 HIS 89 10.895 -3.184 7.076 617 H LYS 90 HN LYS 90 5.394 -6.495 3.970 618 HA LYS 90 HA LYS 90 5.497 -6.876 1.054 619 HB2 LYS 90 HB2 LYS 90 3.855 -7.981 3.249 620 HB3 LYS 90 HB1 LYS 90 3.034 -7.717 1.730 621 HG2 LYS 90 HG2 LYS 90 4.648 -9.163 0.608 622 HG3 LYS 90 HG1 LYS 90 5.514 -9.386 2.131 623 HD2 LYS 90 HD2 LYS 90 2.699 -10.256 1.484 624 HD3 LYS 90 HD1 LYS 90 4.099 -11.293 1.775 625 HE2 LYS 90 HE2 LYS 90 4.231 -10.236 4.073 626 HE3 LYS 90 HE1 LYS 90 2.651 -9.539 3.742 627 HZ1 LYS 90 HZ1 LYS 90 3.271 -12.443 3.756 628 HZ2 LYS 90 HZ2 LYS 90 1.754 -11.756 3.461 629 HZ3 LYS 90 HZ3 LYS 90 2.468 -11.601 4.986 630 H LEU 91 HN LEU 91 4.148 -5.706 -0.223 631 HA LEU 91 HA LEU 91 2.885 -3.361 0.963 632 HB2 LEU 91 HB2 LEU 91 4.305 -3.043 -0.979 633 HB3 LEU 91 HB1 LEU 91 3.374 -4.171 -1.897 634 HG LEU 91 HG LEU 91 2.294 -2.451 -2.764 635 HD11 LEU 91 HD11 LEU 91 0.675 -1.122 -1.435 636 HD12 LEU 91 HD12 LEU 91 1.272 -1.932 0.017 637 HD13 LEU 91 HD13 LEU 91 0.488 -2.867 -1.258 638 HD21 LEU 91 HD21 LEU 91 4.198 -1.094 -2.207 639 HD22 LEU 91 HD22 LEU 91 3.486 -0.711 -0.641 640 HD23 LEU 91 HD23 LEU 91 2.706 -0.162 -2.125 641 H ILE 92 HN ILE 92 1.092 -3.926 1.877 642 HA ILE 92 HA ILE 92 -0.813 -5.702 0.578 643 HB ILE 92 HB ILE 92 -0.354 -4.678 3.342 644 HG12 ILE 92 HG12 ILE 92 -0.876 -7.226 3.744 645 HG13 ILE 92 HG11 ILE 92 -0.561 -7.351 2.015 646 HG21 ILE 92 HG21 ILE 92 -2.966 -5.912 2.450 647 HG22 ILE 92 HG22 ILE 92 -2.732 -4.256 3.000 648 HG23 ILE 92 HG23 ILE 92 -2.502 -5.600 4.119 649 HD11 ILE 92 HD11 ILE 92 1.634 -6.444 2.314 650 HD12 ILE 92 HD12 ILE 92 1.400 -7.834 3.375 651 HD13 ILE 92 HD13 ILE 92 1.327 -6.200 4.030 652 H SER 93 HN SER 93 -2.864 -5.014 0.081 653 HA SER 93 HA SER 93 -3.480 -2.216 0.635 654 HB2 SER 93 HB2 SER 93 -4.248 -3.715 -1.862 655 HB3 SER 93 HB1 SER 93 -4.526 -2.007 -1.525 656 HG SER 93 HG SER 93 -1.956 -3.209 -1.643 657 H THR 94 HN THR 94 -5.155 -2.122 1.983 658 HA THR 94 HA THR 94 -6.514 -4.637 2.556 659 HB THR 94 HB THR 94 -6.163 -2.106 4.154 660 HG1 THR 94 HG1 THR 94 -4.397 -3.027 4.823 661 HG21 THR 94 HG21 THR 94 -7.104 -3.291 6.049 662 HG22 THR 94 HG22 THR 94 -7.359 -4.724 5.055 663 HG23 THR 94 HG23 THR 94 -8.274 -3.252 4.730 664 H PHE 95 HN PHE 95 -8.642 -4.929 2.329 665 HA PHE 95 HA PHE 95 -10.407 -2.573 2.256 666 HB2 PHE 95 HB2 PHE 95 -10.348 -3.784 0.065 667 HB3 PHE 95 HB1 PHE 95 -10.925 -5.213 0.921 668 HD1 PHE 95 HD1 PHE 95 -13.206 -5.507 1.480 669 HD2 PHE 95 HD2 PHE 95 -11.831 -1.765 -0.050 670 HE1 PHE 95 HE1 PHE 95 -15.533 -4.747 1.234 671 HE2 PHE 95 HE2 PHE 95 -14.159 -1.008 -0.292 672 HZ PHE 95 HZ PHE 95 -16.012 -2.498 0.352 673 H THR 96 HN THR 96 -11.523 -2.545 4.150 674 HA THR 96 HA THR 96 -11.987 -5.050 5.515 675 HB THR 96 HB THR 96 -13.150 -3.599 7.220 676 HG1 THR 96 HG1 THR 96 -11.922 -1.488 5.749 677 HG21 THR 96 HG21 THR 96 -10.335 -2.746 6.621 678 HG22 THR 96 HG22 THR 96 -10.752 -4.369 7.216 679 HG23 THR 96 HG23 THR 96 -11.114 -2.943 8.198 680 HA PRO 97 HA PRO 97 -15.929 -5.547 3.396 681 HB2 PRO 97 HB2 PRO 97 -16.408 -7.851 4.892 682 HB3 PRO 97 HB1 PRO 97 -15.707 -7.794 3.275 683 HG2 PRO 97 HG2 PRO 97 -14.413 -8.190 5.894 684 HG3 PRO 97 HG1 PRO 97 -13.911 -8.731 4.284 685 HD2 PRO 97 HD2 PRO 97 -12.738 -6.679 5.627 686 HD3 PRO 97 HD1 PRO 97 -12.755 -6.824 3.865 687 H SER 98 HN SER 98 -18.129 -5.890 4.235 688 HA SER 98 HA SER 98 -18.705 -3.973 6.195 689 HB2 SER 98 HB2 SER 98 -20.569 -6.107 5.157 690 HB3 SER 98 HB1 SER 98 -21.004 -4.522 5.795 691 HG SER 98 HG SER 98 -20.846 -4.880 3.379 692 H ASN 99 HN ASN 99 -17.819 -7.194 6.542 693 HA ASN 99 HA ASN 99 -19.174 -7.561 9.089 694 HB2 ASN 99 HB2 ASN 99 -17.655 -9.295 7.221 695 HB3 ASN 99 HB1 ASN 99 -17.662 -9.730 8.924 696 HD21 ASN 99 HD21 ASN 99 -18.826 -11.149 6.690 697 HD22 ASN 99 HD22 ASN 99 -20.520 -11.280 7.018 698 H GLY 100 HN GLY 100 -16.195 -6.443 7.901 699 HA2 GLY 100 HA2 GLY 100 -14.391 -5.573 9.075 700 HA3 GLY 100 HA1 GLY 100 -15.119 -6.159 10.565 701 H GLY 101 HN GLY 101 -14.930 -8.366 8.041 702 HA2 GLY 101 HA2 GLY 101 -13.158 -10.062 9.574 703 HA3 GLY 101 HA1 GLY 101 -14.045 -10.513 8.125 704 H GLN 102 HN GLN 102 -11.962 -11.553 7.594 705 HA GLN 102 HA GLN 102 -9.584 -10.272 7.122 706 HB2 GLN 102 HB2 GLN 102 -10.903 -12.530 5.643 707 HB3 GLN 102 HB1 GLN 102 -9.311 -11.934 5.195 708 HG2 GLN 102 HG2 GLN 102 -8.532 -12.407 7.490 709 HG3 GLN 102 HG1 GLN 102 -10.111 -13.108 7.846 710 HE21 GLN 102 HE21 GLN 102 -9.191 -15.123 8.277 711 HE22 GLN 102 HE22 GLN 102 -8.599 -16.149 7.018 712 H ALA 103 HN ALA 103 -8.882 -8.822 5.823 713 HA ALA 103 HA ALA 103 -10.713 -7.425 4.052 714 HB1 ALA 103 HB1 ALA 103 -9.285 -6.168 5.557 715 HB2 ALA 103 HB2 ALA 103 -8.905 -5.803 3.869 716 HB3 ALA 103 HB3 ALA 103 -7.847 -6.868 4.807 717 H THR 104 HN THR 104 -10.239 -6.829 2.031 718 HA THR 104 HA THR 104 -9.109 -8.854 0.356 719 HB THR 104 HB THR 104 -10.941 -6.721 0.111 720 HG1 THR 104 HG1 THR 104 -11.225 -8.829 -0.707 721 HG21 THR 104 HG21 THR 104 -10.110 -5.247 -1.364 722 HG22 THR 104 HG22 THR 104 -9.377 -6.527 -2.342 723 HG23 THR 104 HG23 THR 104 -8.528 -5.901 -0.934 724 H VAL 105 HN VAL 105 -7.147 -8.727 -0.711 725 HA VAL 105 HA VAL 105 -5.503 -6.398 -0.037 726 HB VAL 105 HB VAL 105 -4.620 -9.263 0.248 727 HG11 VAL 105 HG11 VAL 105 -3.201 -6.667 0.761 728 HG12 VAL 105 HG12 VAL 105 -2.769 -7.912 -0.406 729 HG13 VAL 105 HG13 VAL 105 -2.619 -8.231 1.323 730 HG21 VAL 105 HG21 VAL 105 -6.192 -8.568 2.022 731 HG22 VAL 105 HG22 VAL 105 -5.132 -7.205 2.397 732 HG23 VAL 105 HG23 VAL 105 -4.562 -8.857 2.644 733 H LEU 106 HN LEU 106 -4.360 -5.628 -1.651 734 HA LEU 106 HA LEU 106 -3.534 -7.429 -3.817 735 HB2 LEU 106 HB2 LEU 106 -3.901 -4.461 -3.668 736 HB3 LEU 106 HB1 LEU 106 -2.779 -5.135 -4.830 737 HG LEU 106 HG LEU 106 -4.858 -4.716 -5.930 738 HD11 LEU 106 HD11 LEU 106 -4.552 -7.671 -5.401 739 HD12 LEU 106 HD12 LEU 106 -3.642 -6.728 -6.581 740 HD13 LEU 106 HD13 LEU 106 -5.382 -6.939 -6.775 741 HD21 LEU 106 HD21 LEU 106 -6.960 -5.813 -5.231 742 HD22 LEU 106 HD22 LEU 106 -6.353 -4.721 -3.989 743 HD23 LEU 106 HD23 LEU 106 -6.140 -6.462 -3.807 744 H THR 107 HN THR 107 -1.615 -8.317 -3.387 745 HA THR 107 HA THR 107 0.140 -6.870 -1.526 746 HB THR 107 HB THR 107 0.380 -9.797 -2.161 747 HG1 THR 107 HG1 THR 107 -1.746 -9.447 -1.427 748 HG21 THR 107 HG21 THR 107 1.118 -8.167 0.284 749 HG22 THR 107 HG22 THR 107 2.243 -8.712 -0.962 750 HG23 THR 107 HG23 THR 107 1.409 -9.892 0.050 751 H TYR 108 HN TYR 108 2.265 -6.626 -1.853 752 HA TYR 108 HA TYR 108 3.542 -7.808 -4.196 753 HB2 TYR 108 HB2 TYR 108 3.264 -5.686 -5.104 754 HB3 TYR 108 HB1 TYR 108 3.312 -4.902 -3.544 755 HD1 TYR 108 HD1 TYR 108 5.292 -4.005 -2.690 756 HD2 TYR 108 HD2 TYR 108 5.443 -6.506 -6.123 757 HE1 TYR 108 HE1 TYR 108 7.620 -3.354 -3.042 758 HE2 TYR 108 HE2 TYR 108 7.796 -5.877 -6.482 759 HH TYR 108 HH TYR 108 9.671 -4.366 -4.174 760 H ASP 109 HN ASP 109 5.646 -8.425 -3.790 761 HA ASP 109 HA ASP 109 6.493 -8.186 -1.003 762 HB2 ASP 109 HB2 ASP 109 7.974 -10.160 -1.661 763 HB3 ASP 109 HB1 ASP 109 6.254 -10.473 -1.541 764 H TRP 110 HN TRP 110 8.134 -6.893 -0.570 765 HA TRP 110 HA TRP 110 9.915 -6.060 -2.724 766 HB2 TRP 110 HB2 TRP 110 9.309 -4.186 -1.481 767 HB3 TRP 110 HB1 TRP 110 9.388 -5.038 0.052 768 HD1 TRP 110 HD1 TRP 110 11.687 -3.471 -2.598 769 HE1 TRP 110 HE1 TRP 110 13.939 -2.891 -1.495 770 HE3 TRP 110 HE3 TRP 110 10.904 -5.579 1.975 771 HZ2 TRP 110 HZ2 TRP 110 15.207 -3.286 1.004 772 HZ3 TRP 110 HZ3 TRP 110 12.676 -5.438 3.674 773 HH2 TRP 110 HH2 TRP 110 14.793 -4.315 3.200 774 H SER 111 HN SER 111 9.969 -7.719 0.371 775 HA SER 111 HA SER 111 12.776 -8.057 0.504 776 HB2 SER 111 HB2 SER 111 11.275 -8.173 2.470 777 HB3 SER 111 HB1 SER 111 10.614 -9.678 1.849 778 HG SER 111 HG SER 111 12.746 -9.364 3.365 779 H ALA 112 HN ALA 112 10.207 -9.825 -1.001 780 HA ALA 112 HA ALA 112 12.041 -12.025 -1.650 781 HB1 ALA 112 HB1 ALA 112 9.983 -12.650 -0.469 782 HB2 ALA 112 HB2 ALA 112 10.067 -13.363 -2.080 783 HB3 ALA 112 HB3 ALA 112 9.037 -11.960 -1.789 784 H ASN 113 HN ASN 113 11.403 -9.278 -2.964 785 HA ASN 113 HA ASN 113 10.321 -9.952 -5.520 786 HB2 ASN 113 HB2 ASN 113 10.156 -7.666 -4.520 787 HB3 ASN 113 HB1 ASN 113 11.885 -7.468 -4.800 788 HD21 ASN 113 HD21 ASN 113 11.593 -5.754 -6.214 789 HD22 ASN 113 HD22 ASN 113 10.944 -5.961 -7.805 790 H GLY 114 HN GLY 114 11.494 -11.518 -6.495 791 HA2 GLY 114 HA2 GLY 114 13.014 -11.913 -8.258 792 HA3 GLY 114 HA1 GLY 114 13.998 -10.579 -7.675 793 H VAL 115 HN VAL 115 12.897 -12.719 -5.284 794 HA VAL 115 HA VAL 115 15.224 -14.458 -5.426 795 HB VAL 115 HB VAL 115 15.949 -12.414 -4.164 796 HG11 VAL 115 HG11 VAL 115 13.855 -11.844 -3.088 797 HG12 VAL 115 HG12 VAL 115 15.124 -12.075 -1.885 798 HG13 VAL 115 HG13 VAL 115 13.914 -13.332 -2.143 799 HG21 VAL 115 HG21 VAL 115 15.873 -14.995 -2.611 800 HG22 VAL 115 HG22 VAL 115 16.954 -13.640 -2.284 801 HG23 VAL 115 HG23 VAL 115 17.079 -14.518 -3.806 802 H ASN 116 HN ASN 116 15.010 -16.311 -4.016 803 HA ASN 116 HA ASN 116 12.271 -17.137 -3.776 804 HB2 ASN 116 HB2 ASN 116 14.104 -18.647 -4.534 805 HB3 ASN 116 HB1 ASN 116 14.779 -18.592 -2.911 806 HD21 ASN 116 HD21 ASN 116 11.346 -18.716 -3.661 807 HD22 ASN 116 HD22 ASN 116 11.079 -20.289 -2.999 808 H SER 117 HN SER 117 12.198 -15.129 -2.186 809 HA SER 117 HA SER 117 11.780 -14.335 -0.102 810 HB2 SER 117 HB2 SER 117 11.192 -17.251 0.462 811 HB3 SER 117 HB1 SER 117 10.617 -15.875 1.406 812 HG SER 117 HG SER 117 10.091 -15.974 -1.357 813 H ASN 118 HN ASN 118 14.512 -14.860 -0.582 814 HA ASN 118 HA ASN 118 15.556 -16.179 1.781 815 HB2 ASN 118 HB2 ASN 118 16.673 -16.511 -0.399 816 HB3 ASN 118 HB1 ASN 118 17.033 -14.788 -0.463 817 HD21 ASN 118 HD21 ASN 118 17.162 -16.783 2.422 818 HD22 ASN 118 HD22 ASN 118 18.873 -16.676 2.644 Start of MODEL 3 1 H1 HIS 6 HT1 HIS 6 -20.731 -3.412 -7.434 2 H2 HIS 6 HT2 HIS 6 -21.008 -3.882 -5.836 3 H3 HIS 6 HT3 HIS 6 -21.930 -4.549 -7.081 4 HA HIS 6 HA HIS 6 -20.267 -6.115 -6.312 5 HB2 HIS 6 HB2 HIS 6 -19.799 -4.995 -9.082 6 HB3 HIS 6 HB1 HIS 6 -19.157 -6.533 -8.518 7 HD1 HIS 6 HD1 HIS 6 -21.876 -5.243 -10.393 8 HD2 HIS 6 HD2 HIS 6 -21.465 -8.253 -7.553 9 HE1 HIS 6 HE1 HIS 6 -23.900 -6.710 -10.661 10 HE2 HIS 6 HE2 HIS 6 -23.706 -8.425 -8.826 11 H GLN 7 HN GLN 7 -19.323 -4.226 -4.793 12 HA GLN 7 HA GLN 7 -16.902 -3.044 -5.671 13 HB2 GLN 7 HB2 GLN 7 -18.096 -1.972 -3.921 14 HB3 GLN 7 HB1 GLN 7 -18.075 -3.434 -2.950 15 HG2 GLN 7 HG2 GLN 7 -15.608 -3.251 -2.813 16 HG3 GLN 7 HG1 GLN 7 -15.725 -1.688 -3.631 17 HE21 GLN 7 HE21 GLN 7 -16.667 0.048 -2.536 18 HE22 GLN 7 HE22 GLN 7 -16.882 0.046 -0.822 19 H ASP 8 HN ASP 8 -17.687 -6.049 -4.036 20 HA ASP 8 HA ASP 8 -15.182 -6.679 -3.024 21 HB2 ASP 8 HB2 ASP 8 -17.132 -8.016 -2.502 22 HB3 ASP 8 HB1 ASP 8 -17.275 -8.526 -4.178 23 H ASN 9 HN ASN 9 -16.499 -7.169 -6.247 24 HA ASN 9 HA ASN 9 -14.078 -8.231 -7.357 25 HB2 ASN 9 HB2 ASN 9 -16.655 -7.175 -8.487 26 HB3 ASN 9 HB1 ASN 9 -15.281 -7.506 -9.548 27 HD21 ASN 9 HD21 ASN 9 -14.575 -9.643 -9.800 28 HD22 ASN 9 HD22 ASN 9 -15.585 -10.987 -9.396 29 H ALA 10 HN ALA 10 -15.559 -5.092 -7.030 30 HA ALA 10 HA ALA 10 -13.969 -3.663 -8.856 31 HB1 ALA 10 HB1 ALA 10 -16.070 -2.805 -7.931 32 HB2 ALA 10 HB2 ALA 10 -14.725 -1.670 -7.734 33 HB3 ALA 10 HB3 ALA 10 -15.287 -2.626 -6.356 34 H ARG 11 HN ARG 11 -13.654 -4.097 -5.344 35 HA ARG 11 HA ARG 11 -11.536 -2.439 -4.797 36 HB2 ARG 11 HB2 ARG 11 -11.898 -5.222 -3.699 37 HB3 ARG 11 HB1 ARG 11 -10.940 -3.945 -2.976 38 HG2 ARG 11 HG2 ARG 11 -12.810 -2.795 -2.265 39 HG3 ARG 11 HG1 ARG 11 -13.862 -3.579 -3.452 40 HD2 ARG 11 HD2 ARG 11 -13.390 -5.744 -2.258 41 HD3 ARG 11 HD1 ARG 11 -12.639 -4.786 -0.983 42 HE ARG 11 HE ARG 11 -15.080 -3.663 -1.191 43 HH11 ARG 11 HH11 ARG 11 -13.983 -6.963 -0.813 44 HH12 ARG 11 HH12 ARG 11 -15.417 -7.482 0.015 45 HH21 ARG 11 HH21 ARG 11 -16.979 -4.335 -0.119 46 HH22 ARG 11 HH22 ARG 11 -17.130 -5.984 0.407 47 H LYS 12 HN LYS 12 -11.391 -5.812 -5.803 48 HA LYS 12 HA LYS 12 -8.667 -6.172 -5.913 49 HB2 LYS 12 HB2 LYS 12 -10.494 -7.876 -6.295 50 HB3 LYS 12 HB1 LYS 12 -10.585 -7.294 -7.950 51 HG2 LYS 12 HG2 LYS 12 -9.216 -9.138 -8.080 52 HG3 LYS 12 HG1 LYS 12 -8.073 -7.800 -8.018 53 HD2 LYS 12 HD2 LYS 12 -7.898 -8.157 -5.556 54 HD3 LYS 12 HD1 LYS 12 -8.895 -9.602 -5.747 55 HE2 LYS 12 HE2 LYS 12 -7.240 -10.532 -7.282 56 HE3 LYS 12 HE1 LYS 12 -6.265 -9.080 -7.082 57 HZ1 LYS 12 HZ1 LYS 12 -5.521 -10.978 -5.706 58 HZ2 LYS 12 HZ2 LYS 12 -6.987 -10.912 -4.864 59 HZ3 LYS 12 HZ3 LYS 12 -5.912 -9.611 -4.792 60 H SER 13 HN SER 13 -10.765 -4.591 -8.259 61 HA SER 13 HA SER 13 -8.563 -4.240 -10.132 62 HB2 SER 13 HB2 SER 13 -10.816 -4.721 -10.982 63 HB3 SER 13 HB1 SER 13 -11.437 -3.267 -10.201 64 HG SER 13 HG SER 13 -10.561 -3.426 -12.613 65 H ARG 14 HN ARG 14 -10.702 -2.131 -8.231 66 HA ARG 14 HA ARG 14 -9.574 0.289 -9.066 67 HB2 ARG 14 HB2 ARG 14 -10.747 1.287 -7.140 68 HB3 ARG 14 HB1 ARG 14 -11.786 0.197 -8.052 69 HG2 ARG 14 HG2 ARG 14 -12.274 -0.828 -6.146 70 HG3 ARG 14 HG1 ARG 14 -10.592 -1.371 -6.095 71 HD2 ARG 14 HD2 ARG 14 -11.733 -0.001 -4.126 72 HD3 ARG 14 HD1 ARG 14 -10.014 0.093 -4.492 73 HE ARG 14 HE ARG 14 -10.539 2.172 -5.734 74 HH11 ARG 14 HH11 ARG 14 -12.928 1.025 -3.448 75 HH12 ARG 14 HH12 ARG 14 -13.492 2.614 -3.045 76 HH21 ARG 14 HH21 ARG 14 -11.305 4.269 -5.217 77 HH22 ARG 14 HH22 ARG 14 -12.593 4.455 -4.067 78 H ILE 15 HN ILE 15 -8.746 -1.829 -6.365 79 HA ILE 15 HA ILE 15 -6.962 0.070 -5.202 80 HB ILE 15 HB ILE 15 -7.130 -2.908 -4.823 81 HG12 ILE 15 HG12 ILE 15 -8.284 -0.711 -3.099 82 HG13 ILE 15 HG11 ILE 15 -9.214 -1.648 -4.269 83 HG21 ILE 15 HG21 ILE 15 -5.910 -2.532 -2.759 84 HG22 ILE 15 HG22 ILE 15 -5.859 -0.797 -3.085 85 HG23 ILE 15 HG23 ILE 15 -4.982 -1.917 -4.133 86 HD11 ILE 15 HD11 ILE 15 -9.597 -2.622 -2.179 87 HD12 ILE 15 HD12 ILE 15 -7.880 -2.613 -1.772 88 HD13 ILE 15 HD13 ILE 15 -8.486 -3.696 -3.033 89 H GLN 16 HN GLN 16 -6.737 -2.789 -7.242 90 HA GLN 16 HA GLN 16 -4.053 -3.282 -7.265 91 HB2 GLN 16 HB2 GLN 16 -6.188 -4.294 -8.508 92 HB3 GLN 16 HB1 GLN 16 -5.408 -3.485 -9.856 93 HG2 GLN 16 HG2 GLN 16 -3.983 -5.381 -8.040 94 HG3 GLN 16 HG1 GLN 16 -4.804 -5.897 -9.512 95 HE21 GLN 16 HE21 GLN 16 -3.992 -5.147 -11.522 96 HE22 GLN 16 HE22 GLN 16 -2.348 -4.634 -11.682 97 H SER 17 HN SER 17 -5.801 -1.025 -9.371 98 HA SER 17 HA SER 17 -3.692 -0.236 -10.992 99 HB2 SER 17 HB2 SER 17 -5.903 1.557 -9.962 100 HB3 SER 17 HB1 SER 17 -4.979 1.769 -11.450 101 HG SER 17 HG SER 17 -6.005 -0.686 -11.465 102 H GLU 18 HN GLU 18 -4.716 1.182 -7.895 103 HA GLU 18 HA GLU 18 -2.514 2.972 -7.670 104 HB2 GLU 18 HB2 GLU 18 -4.325 1.818 -5.565 105 HB3 GLU 18 HB1 GLU 18 -3.244 3.183 -5.354 106 HG2 GLU 18 HG2 GLU 18 -4.520 4.564 -6.657 107 HG3 GLU 18 HG1 GLU 18 -5.307 3.228 -7.487 108 H HIS 19 HN HIS 19 -3.235 -0.245 -6.400 109 HA HIS 19 HA HIS 19 -1.261 -0.685 -4.584 110 HB2 HIS 19 HB2 HIS 19 -2.739 -2.471 -4.900 111 HB3 HIS 19 HB1 HIS 19 -2.518 -2.491 -6.639 112 HD1 HIS 19 HD1 HIS 19 -0.162 -3.027 -3.679 113 HD2 HIS 19 HD2 HIS 19 -1.208 -4.706 -7.329 114 HE1 HIS 19 HE1 HIS 19 1.311 -5.044 -3.937 115 HE2 HIS 19 HE2 HIS 19 0.755 -5.972 -6.213 116 H ARG 20 HN ARG 20 -0.914 -1.242 -8.082 117 HA ARG 20 HA ARG 20 1.785 -1.837 -8.138 118 HB2 ARG 20 HB2 ARG 20 0.120 -0.329 -10.154 119 HB3 ARG 20 HB1 ARG 20 1.696 -1.044 -10.480 120 HG2 ARG 20 HG2 ARG 20 -0.533 -2.696 -9.390 121 HG3 ARG 20 HG1 ARG 20 -0.418 -2.358 -11.121 122 HD2 ARG 20 HD2 ARG 20 1.772 -3.368 -11.203 123 HD3 ARG 20 HD1 ARG 20 1.780 -3.572 -9.451 124 HE ARG 20 HE ARG 20 -0.422 -4.938 -10.220 125 HH11 ARG 20 HH11 ARG 20 2.924 -5.001 -11.235 126 HH12 ARG 20 HH12 ARG 20 2.904 -6.685 -11.651 127 HH21 ARG 20 HH21 ARG 20 -0.459 -7.162 -10.766 128 HH22 ARG 20 HH22 ARG 20 0.974 -7.915 -11.388 129 H GLU 21 HN GLU 21 0.205 1.321 -8.334 130 HA GLU 21 HA GLU 21 2.423 2.976 -8.648 131 HB2 GLU 21 HB2 GLU 21 -0.025 3.618 -6.990 132 HB3 GLU 21 HB1 GLU 21 1.025 4.757 -7.816 133 HG2 GLU 21 HG2 GLU 21 -0.620 2.709 -9.231 134 HG3 GLU 21 HG1 GLU 21 -1.209 4.330 -8.891 135 H LEU 22 HN LEU 22 0.843 1.871 -5.659 136 HA LEU 22 HA LEU 22 2.494 3.333 -3.915 137 HB2 LEU 22 HB2 LEU 22 0.688 0.980 -3.509 138 HB3 LEU 22 HB1 LEU 22 1.712 1.550 -2.207 139 HG LEU 22 HG LEU 22 -0.363 2.570 -1.811 140 HD11 LEU 22 HD11 LEU 22 1.195 4.625 -3.382 141 HD12 LEU 22 HD12 LEU 22 1.572 4.119 -1.733 142 HD13 LEU 22 HD13 LEU 22 0.044 4.925 -2.082 143 HD21 LEU 22 HD21 LEU 22 -1.651 3.755 -3.496 144 HD22 LEU 22 HD22 LEU 22 -1.405 2.068 -3.947 145 HD23 LEU 22 HD23 LEU 22 -0.456 3.337 -4.721 146 H VAL 23 HN VAL 23 2.898 0.101 -5.303 147 HA VAL 23 HA VAL 23 5.166 -0.392 -3.613 148 HB VAL 23 HB VAL 23 4.833 -2.484 -4.116 149 HG11 VAL 23 HG11 VAL 23 2.493 -1.780 -4.628 150 HG12 VAL 23 HG12 VAL 23 3.012 -3.269 -5.424 151 HG13 VAL 23 HG13 VAL 23 2.945 -1.760 -6.333 152 HG21 VAL 23 HG21 VAL 23 5.384 -1.722 -6.957 153 HG22 VAL 23 HG22 VAL 23 5.326 -3.378 -6.346 154 HG23 VAL 23 HG23 VAL 23 6.559 -2.259 -5.744 155 H SER 24 HN SER 24 4.623 0.697 -6.923 156 HA SER 24 HA SER 24 7.313 0.934 -7.681 157 HB2 SER 24 HB2 SER 24 5.343 1.353 -9.184 158 HB3 SER 24 HB1 SER 24 5.073 2.875 -8.333 159 HG SER 24 HG SER 24 6.365 3.585 -9.858 160 H ALA 25 HN ALA 25 5.301 2.683 -5.500 161 HA ALA 25 HA ALA 25 7.112 4.891 -5.098 162 HB1 ALA 25 HB1 ALA 25 4.944 4.045 -3.209 163 HB2 ALA 25 HB2 ALA 25 4.580 4.909 -4.710 164 HB3 ALA 25 HB3 ALA 25 5.603 5.663 -3.472 165 H ILE 26 HN ILE 26 6.345 1.833 -3.448 166 HA ILE 26 HA ILE 26 7.985 2.160 -1.234 167 HB ILE 26 HB ILE 26 6.754 -0.160 -2.598 168 HG12 ILE 26 HG12 ILE 26 7.152 0.763 0.231 169 HG13 ILE 26 HG11 ILE 26 5.672 0.822 -0.722 170 HG21 ILE 26 HG21 ILE 26 8.041 -1.844 -1.419 171 HG22 ILE 26 HG22 ILE 26 9.112 -0.601 -0.776 172 HG23 ILE 26 HG23 ILE 26 9.090 -0.933 -2.508 173 HD11 ILE 26 HD11 ILE 26 5.697 -0.960 0.983 174 HD12 ILE 26 HD12 ILE 26 7.053 -1.703 0.123 175 HD13 ILE 26 HD13 ILE 26 5.488 -1.551 -0.674 176 H GLN 27 HN GLN 27 8.696 0.813 -4.412 177 HA GLN 27 HA GLN 27 11.371 0.156 -3.925 178 HB2 GLN 27 HB2 GLN 27 10.019 0.933 -6.513 179 HB3 GLN 27 HB1 GLN 27 11.592 0.146 -6.390 180 HG2 GLN 27 HG2 GLN 27 10.452 -1.734 -5.212 181 HG3 GLN 27 HG1 GLN 27 8.924 -0.950 -5.569 182 HE21 GLN 27 HE21 GLN 27 8.216 -2.673 -6.819 183 HE22 GLN 27 HE22 GLN 27 8.858 -3.007 -8.387 184 H SER 28 HN SER 28 9.829 3.164 -4.760 185 HA SER 28 HA SER 28 12.234 4.605 -5.333 186 HB2 SER 28 HB2 SER 28 9.866 5.225 -6.075 187 HB3 SER 28 HB1 SER 28 9.612 5.763 -4.426 188 HG SER 28 HG SER 28 11.342 6.805 -6.384 189 H TYR 29 HN TYR 29 9.938 4.677 -2.609 190 HA TYR 29 HA TYR 29 11.246 6.276 -0.809 191 HB2 TYR 29 HB2 TYR 29 8.976 5.295 -0.554 192 HB3 TYR 29 HB1 TYR 29 9.704 3.735 -0.219 193 HD1 TYR 29 HD1 TYR 29 7.757 4.684 1.598 194 HD2 TYR 29 HD2 TYR 29 11.903 5.648 1.500 195 HE1 TYR 29 HE1 TYR 29 7.693 5.149 4.018 196 HE2 TYR 29 HE2 TYR 29 11.844 6.113 3.910 197 HH TYR 29 HH TYR 29 9.204 5.264 5.905 198 H ILE 30 HN ILE 30 11.504 2.752 -1.075 199 HA ILE 30 HA ILE 30 13.407 2.445 0.953 200 HB ILE 30 HB ILE 30 12.668 0.686 -1.368 201 HG12 ILE 30 HG12 ILE 30 11.853 0.769 1.542 202 HG13 ILE 30 HG11 ILE 30 10.855 1.175 0.156 203 HG21 ILE 30 HG21 ILE 30 14.857 0.030 -0.689 204 HG22 ILE 30 HG22 ILE 30 13.712 -1.141 -0.025 205 HG23 ILE 30 HG23 ILE 30 14.412 0.103 1.012 206 HD11 ILE 30 HD11 ILE 30 10.225 -0.963 0.974 207 HD12 ILE 30 HD12 ILE 30 11.893 -1.538 0.896 208 HD13 ILE 30 HD13 ILE 30 11.018 -1.163 -0.590 209 H GLY 31 HN GLY 31 13.780 2.865 -2.539 210 HA2 GLY 31 HA2 GLY 31 16.580 2.332 -2.568 211 HA3 GLY 31 HA1 GLY 31 15.667 3.152 -3.831 212 H ALA 32 HN ALA 32 14.676 5.017 -1.649 213 HA ALA 32 HA ALA 32 16.844 6.945 -1.901 214 HB1 ALA 32 HB1 ALA 32 14.125 7.316 -0.675 215 HB2 ALA 32 HB2 ALA 32 14.452 7.506 -2.400 216 HB3 ALA 32 HB3 ALA 32 15.233 8.573 -1.228 217 H GLN 33 HN GLN 33 15.386 4.861 0.398 218 HA GLN 33 HA GLN 33 15.730 6.164 2.765 219 HB2 GLN 33 HB2 GLN 33 15.599 3.333 1.942 220 HB3 GLN 33 HB1 GLN 33 16.065 3.707 3.600 221 HG2 GLN 33 HG2 GLN 33 13.733 5.120 2.513 222 HG3 GLN 33 HG1 GLN 33 13.556 3.407 2.846 223 HE21 GLN 33 HE21 GLN 33 12.144 3.792 4.596 224 HE22 GLN 33 HE22 GLN 33 12.684 4.472 6.096 225 H ASP 34 HN ASP 34 17.118 5.798 4.480 226 HA ASP 34 HA ASP 34 19.851 6.145 3.969 227 HB2 ASP 34 HB2 ASP 34 18.605 6.932 5.972 228 HB3 ASP 34 HB1 ASP 34 18.533 5.268 6.524 229 H ASP 35 HN ASP 35 17.882 3.448 4.702 230 HA ASP 35 HA ASP 35 20.024 1.657 3.871 231 HB2 ASP 35 HB2 ASP 35 20.113 1.574 6.305 232 HB3 ASP 35 HB1 ASP 35 18.399 1.172 6.383 233 HA PRO 36 HA PRO 36 16.299 0.583 1.565 234 HB2 PRO 36 HB2 PRO 36 17.580 -0.408 -0.540 235 HB3 PRO 36 HB1 PRO 36 17.635 1.319 -0.219 236 HG2 PRO 36 HG2 PRO 36 19.606 -0.778 0.633 237 HG3 PRO 36 HG1 PRO 36 19.931 0.655 -0.355 238 HD2 PRO 36 HD2 PRO 36 20.355 0.769 2.255 239 HD3 PRO 36 HD1 PRO 36 19.530 2.106 1.421 240 H THR 37 HN THR 37 18.452 -1.171 3.259 241 HA THR 37 HA THR 37 17.814 -3.759 2.157 242 HB THR 37 HB THR 37 19.649 -4.536 3.249 243 HG1 THR 37 HG1 THR 37 19.255 -2.651 5.357 244 HG21 THR 37 HG21 THR 37 21.394 -2.934 3.255 245 HG22 THR 37 HG22 THR 37 20.276 -1.618 3.641 246 HG23 THR 37 HG23 THR 37 20.233 -2.378 2.040 247 H ASN 38 HN ASN 38 17.115 -1.746 4.832 248 HA ASN 38 HA ASN 38 14.754 -3.275 5.504 249 HB2 ASN 38 HB2 ASN 38 16.734 -4.249 6.767 250 HB3 ASN 38 HB1 ASN 38 16.798 -2.724 7.650 251 HD21 ASN 38 HD21 ASN 38 15.173 -2.239 9.118 252 HD22 ASN 38 HD22 ASN 38 14.061 -3.429 9.699 253 HA PRO 39 HA PRO 39 14.646 1.433 5.944 254 HB2 PRO 39 HB2 PRO 39 12.348 1.660 4.451 255 HB3 PRO 39 HB1 PRO 39 13.988 1.890 3.842 256 HG2 PRO 39 HG2 PRO 39 12.220 -0.493 3.630 257 HG3 PRO 39 HG1 PRO 39 13.348 0.180 2.462 258 HD2 PRO 39 HD2 PRO 39 13.928 -1.998 3.887 259 HD3 PRO 39 HD1 PRO 39 15.159 -0.828 3.409 260 H SER 40 HN SER 40 12.670 2.721 6.567 261 HA SER 40 HA SER 40 11.510 1.638 8.896 262 HB2 SER 40 HB2 SER 40 10.234 3.990 7.604 263 HB3 SER 40 HB1 SER 40 10.787 3.779 9.267 264 HG SER 40 HG SER 40 12.839 4.257 8.671 265 H GLU 41 HN GLU 41 9.070 1.829 9.267 266 HA GLU 41 HA GLU 41 7.628 0.157 7.519 267 HB2 GLU 41 HB2 GLU 41 6.855 0.096 9.700 268 HB3 GLU 41 HB1 GLU 41 7.020 1.828 9.918 269 HG2 GLU 41 HG2 GLU 41 5.086 2.196 8.545 270 HG3 GLU 41 HG1 GLU 41 4.884 0.463 8.309 271 H ILE 42 HN ILE 42 6.277 0.600 5.895 272 HA ILE 42 HA ILE 42 6.498 3.320 4.871 273 HB ILE 42 HB ILE 42 6.299 0.641 3.557 274 HG12 ILE 42 HG12 ILE 42 8.308 2.866 3.718 275 HG13 ILE 42 HG11 ILE 42 8.512 1.162 4.102 276 HG21 ILE 42 HG21 ILE 42 4.764 2.264 2.473 277 HG22 ILE 42 HG22 ILE 42 6.060 1.680 1.437 278 HG23 ILE 42 HG23 ILE 42 6.162 3.289 2.146 279 HD11 ILE 42 HD11 ILE 42 9.677 1.746 2.081 280 HD12 ILE 42 HD12 ILE 42 8.174 2.339 1.373 281 HD13 ILE 42 HD13 ILE 42 8.362 0.621 1.739 282 H THR 43 HN THR 43 4.751 4.505 4.487 283 HA THR 43 HA THR 43 2.155 3.169 4.256 284 HB THR 43 HB THR 43 1.094 4.971 5.565 285 HG1 THR 43 HG1 THR 43 2.531 6.260 6.882 286 HG21 THR 43 HG21 THR 43 3.255 3.478 7.062 287 HG22 THR 43 HG22 THR 43 1.666 2.835 6.635 288 HG23 THR 43 HG23 THR 43 1.797 4.178 7.772 289 H LEU 44 HN LEU 44 0.466 4.760 3.486 290 HA LEU 44 HA LEU 44 1.298 5.668 0.961 291 HB2 LEU 44 HB2 LEU 44 -1.191 6.404 2.431 292 HB3 LEU 44 HB1 LEU 44 -0.930 6.481 0.717 293 HG LEU 44 HG LEU 44 -1.298 4.090 2.429 294 HD11 LEU 44 HD11 LEU 44 -2.576 4.378 -0.185 295 HD12 LEU 44 HD12 LEU 44 -3.048 5.559 1.032 296 HD13 LEU 44 HD13 LEU 44 -3.241 3.840 1.355 297 HD21 LEU 44 HD21 LEU 44 -0.635 2.685 0.562 298 HD22 LEU 44 HD22 LEU 44 0.700 3.717 1.055 299 HD23 LEU 44 HD23 LEU 44 -0.235 4.113 -0.383 300 H ALA 45 HN ALA 45 0.638 7.225 3.972 301 HA ALA 45 HA ALA 45 0.768 9.893 3.094 302 HB1 ALA 45 HB1 ALA 45 -0.305 9.263 5.166 303 HB2 ALA 45 HB2 ALA 45 1.021 10.391 5.502 304 HB3 ALA 45 HB3 ALA 45 1.241 8.663 5.808 305 H LYS 46 HN LYS 46 3.167 7.526 3.836 306 HA LYS 46 HA LYS 46 5.389 9.384 3.849 307 HB2 LYS 46 HB2 LYS 46 5.186 6.403 3.975 308 HB3 LYS 46 HB1 LYS 46 6.695 7.268 4.038 309 HG2 LYS 46 HG2 LYS 46 6.054 8.325 6.098 310 HG3 LYS 46 HG1 LYS 46 4.456 7.577 6.006 311 HD2 LYS 46 HD2 LYS 46 5.628 5.349 5.997 312 HD3 LYS 46 HD1 LYS 46 7.113 6.224 6.397 313 HE2 LYS 46 HE2 LYS 46 4.558 6.215 7.980 314 HE3 LYS 46 HE1 LYS 46 6.040 5.328 8.376 315 HZ1 LYS 46 HZ1 LYS 46 5.855 7.379 9.656 316 HZ2 LYS 46 HZ2 LYS 46 5.785 8.287 8.233 317 HZ3 LYS 46 HZ3 LYS 46 7.193 7.438 8.621 318 H LEU 47 HN LEU 47 3.884 7.025 1.745 319 HA LEU 47 HA LEU 47 5.956 6.990 -0.200 320 HB2 LEU 47 HB2 LEU 47 3.122 6.003 -0.122 321 HB3 LEU 47 HB1 LEU 47 4.107 5.863 -1.569 322 HG LEU 47 HG LEU 47 4.720 4.642 1.120 323 HD11 LEU 47 HD11 LEU 47 3.819 3.395 -1.470 324 HD12 LEU 47 HD12 LEU 47 2.860 3.558 0.001 325 HD13 LEU 47 HD13 LEU 47 4.285 2.519 -0.011 326 HD21 LEU 47 HD21 LEU 47 6.761 5.245 -0.047 327 HD22 LEU 47 HD22 LEU 47 6.185 4.448 -1.510 328 HD23 LEU 47 HD23 LEU 47 6.541 3.497 -0.068 329 H ALA 48 HN ALA 48 3.643 9.243 0.558 330 HA ALA 48 HA ALA 48 2.468 10.202 -1.665 331 HB1 ALA 48 HB1 ALA 48 3.776 12.110 0.230 332 HB2 ALA 48 HB2 ALA 48 2.421 11.097 0.727 333 HB3 ALA 48 HB3 ALA 48 2.223 12.249 -0.593 334 HA PRO 49 HA PRO 49 6.245 12.987 -2.909 335 HB2 PRO 49 HB2 PRO 49 8.501 11.541 -1.653 336 HB3 PRO 49 HB1 PRO 49 8.188 13.268 -1.734 337 HG2 PRO 49 HG2 PRO 49 7.882 11.995 0.554 338 HG3 PRO 49 HG1 PRO 49 6.675 13.196 0.050 339 HD2 PRO 49 HD2 PRO 49 6.590 10.220 -0.232 340 HD3 PRO 49 HD1 PRO 49 5.357 11.299 0.439 341 H TYR 50 HN TYR 50 6.316 9.560 -2.734 342 HA TYR 50 HA TYR 50 8.157 9.323 -4.999 343 HB2 TYR 50 HB2 TYR 50 7.034 7.135 -3.258 344 HB3 TYR 50 HB1 TYR 50 8.365 7.020 -4.389 345 HD1 TYR 50 HD1 TYR 50 10.520 8.200 -3.882 346 HD2 TYR 50 HD2 TYR 50 7.362 7.918 -1.056 347 HE1 TYR 50 HE1 TYR 50 12.087 8.805 -2.080 348 HE2 TYR 50 HE2 TYR 50 8.913 8.514 0.756 349 HH TYR 50 HH TYR 50 12.030 9.759 0.173 350 H MET 51 HN MET 51 4.887 9.448 -4.381 351 HA MET 51 HA MET 51 4.021 7.587 -6.402 352 HB2 MET 51 HB2 MET 51 2.500 9.796 -5.029 353 HB3 MET 51 HB1 MET 51 1.797 8.500 -5.986 354 HG2 MET 51 HG2 MET 51 3.256 8.218 -3.375 355 HG3 MET 51 HG1 MET 51 1.519 8.056 -3.646 356 HE1 MET 51 HE1 MET 51 0.460 5.945 -5.075 357 HE2 MET 51 HE2 MET 51 1.524 4.830 -5.937 358 HE3 MET 51 HE3 MET 51 1.482 6.534 -6.387 359 H SER 52 HN SER 52 2.359 8.653 -8.098 360 HA SER 52 HA SER 52 3.604 11.023 -9.243 361 HB2 SER 52 HB2 SER 52 4.986 9.176 -10.034 362 HB3 SER 52 HB1 SER 52 3.558 8.358 -10.666 363 HG SER 52 HG SER 52 5.085 10.130 -11.883 364 H LYS 53 HN LYS 53 1.000 8.618 -9.500 365 HA LYS 53 HA LYS 53 -0.005 9.523 -11.918 366 HB2 LYS 53 HB2 LYS 53 -1.679 7.988 -11.688 367 HB3 LYS 53 HB1 LYS 53 -0.442 7.319 -10.656 368 HG2 LYS 53 HG2 LYS 53 -2.560 9.069 -9.499 369 HG3 LYS 53 HG1 LYS 53 -2.920 7.391 -9.883 370 HD2 LYS 53 HD2 LYS 53 -0.945 6.744 -8.462 371 HD3 LYS 53 HD1 LYS 53 -0.851 8.445 -7.950 372 HE2 LYS 53 HE2 LYS 53 -2.166 6.815 -6.465 373 HE3 LYS 53 HE1 LYS 53 -2.927 8.361 -6.874 374 HZ1 LYS 53 HZ1 LYS 53 -3.450 5.748 -8.206 375 HZ2 LYS 53 HZ2 LYS 53 -4.184 7.215 -8.605 376 HZ3 LYS 53 HZ3 LYS 53 -4.474 6.514 -7.099 377 H ASN 54 HN ASN 54 -0.702 10.562 -8.775 378 HA ASN 54 HA ASN 54 -2.290 12.812 -9.666 379 HB2 ASN 54 HB2 ASN 54 -3.748 10.668 -9.507 380 HB3 ASN 54 HB1 ASN 54 -3.607 10.879 -7.767 381 HD21 ASN 54 HD21 ASN 54 -4.652 12.612 -6.784 382 HD22 ASN 54 HD22 ASN 54 -5.852 13.555 -7.597 383 H ALA 55 HN ALA 55 0.056 11.885 -8.009 384 HA ALA 55 HA ALA 55 -0.814 12.747 -5.340 385 HB1 ALA 55 HB1 ALA 55 -0.541 10.325 -5.582 386 HB2 ALA 55 HB2 ALA 55 0.604 11.020 -4.424 387 HB3 ALA 55 HB3 ALA 55 1.141 10.581 -6.050 388 H LYS 56 HN LYS 56 0.927 13.441 -3.904 389 HA LYS 56 HA LYS 56 3.440 14.269 -4.888 390 HB2 LYS 56 HB2 LYS 56 1.999 15.930 -6.052 391 HB3 LYS 56 HB1 LYS 56 1.427 16.479 -4.483 392 HG2 LYS 56 HG2 LYS 56 3.122 17.977 -5.296 393 HG3 LYS 56 HG1 LYS 56 3.726 17.108 -3.887 394 HD2 LYS 56 HD2 LYS 56 5.460 17.214 -5.557 395 HD3 LYS 56 HD1 LYS 56 4.906 15.549 -5.400 396 HE2 LYS 56 HE2 LYS 56 3.503 15.838 -7.394 397 HE3 LYS 56 HE1 LYS 56 4.082 17.497 -7.552 398 HZ1 LYS 56 HZ1 LYS 56 5.755 15.052 -7.712 399 HZ2 LYS 56 HZ2 LYS 56 6.326 16.636 -7.847 400 HZ3 LYS 56 HZ3 LYS 56 5.281 16.014 -9.019 401 H ASN 57 HN ASN 57 1.043 15.662 -2.636 402 HA ASN 57 HA ASN 57 2.905 15.095 -0.449 403 HB2 ASN 57 HB2 ASN 57 0.518 16.958 -0.498 404 HB3 ASN 57 HB1 ASN 57 1.546 16.663 0.899 405 HD21 ASN 57 HD21 ASN 57 3.651 17.496 0.909 406 HD22 ASN 57 HD22 ASN 57 4.133 18.759 -0.167 407 H GLU 58 HN GLU 58 1.648 14.671 1.633 408 HA GLU 58 HA GLU 58 0.277 12.262 1.408 409 HB2 GLU 58 HB2 GLU 58 0.777 12.269 3.574 410 HB3 GLU 58 HB1 GLU 58 1.159 13.981 3.487 411 HG2 GLU 58 HG2 GLU 58 -1.082 14.582 3.951 412 HG3 GLU 58 HG1 GLU 58 -1.600 12.898 3.875 413 H ASP 59 HN ASP 59 -0.805 15.548 1.550 414 HA ASP 59 HA ASP 59 -3.557 15.184 1.857 415 HB2 ASP 59 HB2 ASP 59 -2.280 17.335 2.017 416 HB3 ASP 59 HB1 ASP 59 -2.193 17.334 0.267 417 H GLY 60 HN GLY 60 -1.489 14.961 -0.952 418 HA2 GLY 60 HA2 GLY 60 -3.852 14.718 -2.681 419 HA3 GLY 60 HA1 GLY 60 -2.261 15.208 -3.220 420 H ILE 61 HN ILE 61 -2.085 12.584 -1.077 421 HA ILE 61 HA ILE 61 -1.961 10.762 -3.363 422 HB ILE 61 HB ILE 61 0.210 10.923 -2.404 423 HG12 ILE 61 HG12 ILE 61 0.686 8.694 -1.809 424 HG13 ILE 61 HG11 ILE 61 -0.938 8.424 -1.182 425 HG21 ILE 61 HG21 ILE 61 -0.415 11.890 -0.262 426 HG22 ILE 61 HG22 ILE 61 0.712 10.548 -0.073 427 HG23 ILE 61 HG23 ILE 61 -0.996 10.318 0.279 428 HD11 ILE 61 HD11 ILE 61 -0.446 7.358 -3.393 429 HD12 ILE 61 HD12 ILE 61 -0.334 8.980 -4.081 430 HD13 ILE 61 HD13 ILE 61 -1.856 8.422 -3.373 431 H VAL 62 HN VAL 62 -2.571 10.709 0.082 432 HA VAL 62 HA VAL 62 -3.724 8.137 0.060 433 HB VAL 62 HB VAL 62 -3.779 10.331 2.131 434 HG11 VAL 62 HG11 VAL 62 -5.589 8.660 2.419 435 HG12 VAL 62 HG12 VAL 62 -4.401 8.680 3.731 436 HG13 VAL 62 HG13 VAL 62 -4.338 7.407 2.511 437 HG21 VAL 62 HG21 VAL 62 -1.694 8.814 1.192 438 HG22 VAL 62 HG22 VAL 62 -2.223 7.969 2.656 439 HG23 VAL 62 HG23 VAL 62 -1.758 9.672 2.734 440 H ASN 63 HN ASN 63 -5.036 11.388 0.147 441 HA ASN 63 HA ASN 63 -7.760 10.600 0.293 442 HB2 ASN 63 HB2 ASN 63 -6.787 12.872 0.883 443 HB3 ASN 63 HB1 ASN 63 -6.716 13.199 -0.844 444 HD21 ASN 63 HD21 ASN 63 -8.736 12.857 1.929 445 HD22 ASN 63 HD22 ASN 63 -10.199 13.418 1.199 446 H SER 64 HN SER 64 -5.474 10.724 -2.255 447 HA SER 64 HA SER 64 -7.496 10.776 -4.355 448 HB2 SER 64 HB2 SER 64 -4.476 10.579 -4.564 449 HB3 SER 64 HB1 SER 64 -5.600 10.857 -5.898 450 HG SER 64 HG SER 64 -6.142 12.662 -4.056 451 H LEU 65 HN LEU 65 -5.701 8.578 -2.510 452 HA LEU 65 HA LEU 65 -5.918 6.365 -4.361 453 HB2 LEU 65 HB2 LEU 65 -4.911 6.616 -1.541 454 HB3 LEU 65 HB1 LEU 65 -5.033 5.075 -2.368 455 HG LEU 65 HG LEU 65 -3.352 7.398 -3.270 456 HD11 LEU 65 HD11 LEU 65 -1.476 6.074 -2.513 457 HD12 LEU 65 HD12 LEU 65 -2.561 4.796 -1.983 458 HD13 LEU 65 HD13 LEU 65 -2.580 6.362 -1.170 459 HD21 LEU 65 HD21 LEU 65 -3.651 4.584 -4.254 460 HD22 LEU 65 HD22 LEU 65 -2.347 5.667 -4.739 461 HD23 LEU 65 HD23 LEU 65 -4.019 6.066 -5.136 462 H ALA 66 HN ALA 66 -6.941 4.348 -3.709 463 HA ALA 66 HA ALA 66 -9.601 4.487 -3.025 464 HB1 ALA 66 HB1 ALA 66 -9.522 2.121 -2.625 465 HB2 ALA 66 HB2 ALA 66 -7.775 2.181 -2.381 466 HB3 ALA 66 HB3 ALA 66 -8.451 2.493 -3.987 467 H LYS 67 HN LYS 67 -10.776 4.355 -1.197 468 HA LYS 67 HA LYS 67 -9.267 4.660 1.295 469 HB2 LYS 67 HB2 LYS 67 -11.981 5.821 0.697 470 HB3 LYS 67 HB1 LYS 67 -10.997 6.115 2.116 471 HG2 LYS 67 HG2 LYS 67 -10.506 7.060 -0.688 472 HG3 LYS 67 HG1 LYS 67 -10.850 8.031 0.737 473 HD2 LYS 67 HD2 LYS 67 -8.397 6.316 0.520 474 HD3 LYS 67 HD1 LYS 67 -8.440 7.964 -0.095 475 HE2 LYS 67 HE2 LYS 67 -8.911 7.108 2.758 476 HE3 LYS 67 HE1 LYS 67 -7.449 7.879 2.130 477 HZ1 LYS 67 HZ1 LYS 67 -8.730 9.845 1.637 478 HZ2 LYS 67 HZ2 LYS 67 -8.920 9.443 3.264 479 HZ3 LYS 67 HZ3 LYS 67 -10.158 9.112 2.161 480 H ASP 68 HN ASP 68 -9.739 3.364 2.933 481 HA ASP 68 HA ASP 68 -11.588 1.187 2.447 482 HB2 ASP 68 HB2 ASP 68 -10.465 0.037 4.113 483 HB3 ASP 68 HB1 ASP 68 -9.194 1.135 3.589 484 H LYS 69 HN LYS 69 -13.292 0.651 3.979 485 HA LYS 69 HA LYS 69 -14.716 3.105 4.506 486 HB2 LYS 69 HB2 LYS 69 -15.685 1.183 3.230 487 HB3 LYS 69 HB1 LYS 69 -15.744 0.309 4.747 488 HG2 LYS 69 HG2 LYS 69 -17.908 1.236 4.278 489 HG3 LYS 69 HG1 LYS 69 -17.212 2.050 5.680 490 HD2 LYS 69 HD2 LYS 69 -18.278 3.653 4.185 491 HD3 LYS 69 HD1 LYS 69 -16.538 3.926 4.252 492 HE2 LYS 69 HE2 LYS 69 -16.258 2.758 2.134 493 HE3 LYS 69 HE1 LYS 69 -17.985 2.412 2.080 494 HZ1 LYS 69 HZ1 LYS 69 -17.405 4.297 0.685 495 HZ2 LYS 69 HZ2 LYS 69 -16.766 5.120 2.017 496 HZ3 LYS 69 HZ3 LYS 69 -18.421 4.780 1.948 497 H SER 70 HN SER 70 -13.796 0.222 6.396 498 HA SER 70 HA SER 70 -15.187 1.410 8.678 499 HB2 SER 70 HB2 SER 70 -14.783 -0.979 9.624 500 HB3 SER 70 HB1 SER 70 -16.004 -0.736 8.373 501 HG SER 70 HG SER 70 -14.855 -1.881 7.027 502 H GLY 71 HN GLY 71 -11.970 0.634 7.633 503 HA2 GLY 71 HA2 GLY 71 -9.935 1.017 8.623 504 HA3 GLY 71 HA1 GLY 71 -10.784 1.941 9.852 505 H ASN 72 HN ASN 72 -11.881 -1.247 9.440 506 HA ASN 72 HA ASN 72 -11.465 -1.812 12.163 507 HB2 ASN 72 HB2 ASN 72 -13.346 -2.707 10.856 508 HB3 ASN 72 HB1 ASN 72 -12.228 -3.701 9.931 509 HD21 ASN 72 HD21 ASN 72 -13.751 -3.212 13.018 510 HD22 ASN 72 HD22 ASN 72 -13.405 -4.781 13.662 511 H SER 73 HN SER 73 -9.560 -2.577 9.337 512 HA SER 73 HA SER 73 -8.075 -4.617 10.780 513 HB2 SER 73 HB2 SER 73 -7.769 -3.665 7.927 514 HB3 SER 73 HB1 SER 73 -6.995 -5.080 8.640 515 HG SER 73 HG SER 73 -9.029 -6.008 8.917 516 H SER 74 HN SER 74 -7.917 -1.394 10.812 517 HA SER 74 HA SER 74 -6.345 0.174 11.277 518 HB2 SER 74 HB2 SER 74 -5.835 -1.445 13.109 519 HB3 SER 74 HB1 SER 74 -4.621 -2.189 12.071 520 HG SER 74 HG SER 74 -3.907 -0.517 13.637 521 H THR 75 HN THR 75 -6.236 0.662 9.036 522 HA THR 75 HA THR 75 -4.282 -0.670 7.378 523 HB THR 75 HB THR 75 -6.562 0.102 6.589 524 HG1 THR 75 HG1 THR 75 -5.531 1.096 4.592 525 HG21 THR 75 HG21 THR 75 -6.305 2.361 7.721 526 HG22 THR 75 HG22 THR 75 -6.943 2.371 6.077 527 HG23 THR 75 HG23 THR 75 -5.254 2.803 6.367 528 H SER 76 HN SER 76 -4.305 2.027 9.448 529 HA SER 76 HA SER 76 -2.731 3.536 10.037 530 HB2 SER 76 HB2 SER 76 -1.116 1.690 9.794 531 HB3 SER 76 HB1 SER 76 -0.911 2.104 8.094 532 HG SER 76 HG SER 76 -0.561 4.203 9.853 533 H ALA 77 HN ALA 77 -2.778 2.999 6.509 534 HA ALA 77 HA ALA 77 -2.141 5.668 5.790 535 HB1 ALA 77 HB1 ALA 77 -3.096 5.154 3.621 536 HB2 ALA 77 HB2 ALA 77 -3.874 3.704 4.288 537 HB3 ALA 77 HB3 ALA 77 -2.112 3.786 4.176 538 HA PRO 78 HA PRO 78 -5.604 7.659 7.611 539 HB2 PRO 78 HB2 PRO 78 -5.076 9.551 5.370 540 HB3 PRO 78 HB1 PRO 78 -5.340 9.907 7.074 541 HG2 PRO 78 HG2 PRO 78 -2.902 9.981 6.109 542 HG3 PRO 78 HG1 PRO 78 -3.198 9.155 7.644 543 HD2 PRO 78 HD2 PRO 78 -2.764 7.982 4.941 544 HD3 PRO 78 HD1 PRO 78 -2.153 7.442 6.516 545 H GLY 79 HN GLY 79 -7.376 6.492 7.227 546 HA2 GLY 79 HA2 GLY 79 -9.300 5.713 6.278 547 HA3 GLY 79 HA1 GLY 79 -9.306 7.203 5.358 548 H SER 80 HN SER 80 -6.537 5.229 4.744 549 HA SER 80 HA SER 80 -7.630 4.820 2.035 550 HB2 SER 80 HB2 SER 80 -5.133 5.747 3.075 551 HB3 SER 80 HB1 SER 80 -4.876 4.345 2.048 552 HG SER 80 HG SER 80 -6.503 5.662 0.646 553 H ALA 81 HN ALA 81 -7.204 3.050 0.836 554 HA ALA 81 HA ALA 81 -7.334 0.585 2.326 555 HB1 ALA 81 HB1 ALA 81 -8.917 1.076 0.540 556 HB2 ALA 81 HB2 ALA 81 -7.984 -0.390 0.201 557 HB3 ALA 81 HB3 ALA 81 -7.587 1.123 -0.618 558 H HIS 82 HN HIS 82 -4.705 1.741 2.383 559 HA HIS 82 HA HIS 82 -3.347 -0.553 1.222 560 HB2 HIS 82 HB2 HIS 82 -2.433 2.290 0.887 561 HB3 HIS 82 HB1 HIS 82 -1.462 0.903 0.531 562 HD1 HIS 82 HD1 HIS 82 -2.312 -0.557 -1.597 563 HD2 HIS 82 HD2 HIS 82 -4.143 3.137 -1.068 564 HE1 HIS 82 HE1 HIS 82 -3.453 -0.042 -3.779 565 HE2 HIS 82 HE2 HIS 82 -4.691 2.126 -3.383 566 H GLN 83 HN GLN 83 -2.121 -1.540 2.682 567 HA GLN 83 HA GLN 83 -0.631 0.014 4.640 568 HB2 GLN 83 HB2 GLN 83 -2.579 -0.440 5.940 569 HB3 GLN 83 HB1 GLN 83 -2.664 -2.092 5.352 570 HG2 GLN 83 HG2 GLN 83 -1.899 -1.849 7.712 571 HG3 GLN 83 HG1 GLN 83 -0.814 -2.762 6.669 572 HE21 GLN 83 HE21 GLN 83 -1.002 0.723 6.547 573 HE22 GLN 83 HE22 GLN 83 0.554 1.013 7.251 574 H ILE 84 HN ILE 84 1.361 -0.674 4.570 575 HA ILE 84 HA ILE 84 1.966 -3.148 3.241 576 HB ILE 84 HB ILE 84 3.469 -0.712 4.041 577 HG12 ILE 84 HG12 ILE 84 3.896 -1.667 1.399 578 HG13 ILE 84 HG11 ILE 84 2.174 -1.767 1.756 579 HG21 ILE 84 HG21 ILE 84 4.751 -3.249 3.039 580 HG22 ILE 84 HG22 ILE 84 4.953 -2.551 4.645 581 HG23 ILE 84 HG23 ILE 84 5.550 -1.688 3.227 582 HD11 ILE 84 HD11 ILE 84 2.279 0.623 2.467 583 HD12 ILE 84 HD12 ILE 84 2.619 0.350 0.759 584 HD13 ILE 84 HD13 ILE 84 3.944 0.665 1.880 585 H ASP 85 HN ASP 85 2.750 -4.932 4.109 586 HA ASP 85 HA ASP 85 2.932 -5.175 6.991 587 HB2 ASP 85 HB2 ASP 85 1.906 -6.962 5.480 588 HB3 ASP 85 HB1 ASP 85 3.536 -7.285 4.911 589 H THR 86 HN THR 86 4.772 -4.613 7.963 590 HA THR 86 HA THR 86 7.223 -4.577 6.435 591 HB THR 86 HB THR 86 8.160 -3.531 8.492 592 HG1 THR 86 HG1 THR 86 7.027 -3.629 10.276 593 HG21 THR 86 HG21 THR 86 5.629 -2.365 7.343 594 HG22 THR 86 HG22 THR 86 7.259 -2.195 6.681 595 HG23 THR 86 HG23 THR 86 6.851 -1.453 8.233 596 H THR 87 HN THR 87 5.666 -6.566 8.771 597 HA THR 87 HA THR 87 7.818 -7.967 9.853 598 HB THR 87 HB THR 87 5.030 -8.922 9.183 599 HG1 THR 87 HG1 THR 87 4.604 -8.407 11.324 600 HG21 THR 87 HG21 THR 87 6.534 -10.821 9.429 601 HG22 THR 87 HG22 THR 87 5.434 -10.714 10.804 602 HG23 THR 87 HG23 THR 87 7.108 -10.182 10.967 603 H ASN 88 HN ASN 88 5.807 -8.863 7.038 604 HA ASN 88 HA ASN 88 7.878 -10.751 6.196 605 HB2 ASN 88 HB2 ASN 88 5.084 -10.237 5.171 606 HB3 ASN 88 HB1 ASN 88 6.180 -11.436 4.489 607 HD21 ASN 88 HD21 ASN 88 4.236 -10.546 7.234 608 HD22 ASN 88 HD22 ASN 88 4.231 -12.111 7.985 609 H HIS 89 HN HIS 89 6.823 -7.612 5.623 610 HA HIS 89 HA HIS 89 7.739 -5.928 4.429 611 HB2 HIS 89 HB2 HIS 89 9.679 -8.111 3.840 612 HB3 HIS 89 HB1 HIS 89 9.706 -6.683 2.821 613 HD1 HIS 89 HD1 HIS 89 11.528 -7.883 5.485 614 HD2 HIS 89 HD2 HIS 89 9.505 -4.298 4.898 615 HE1 HIS 89 HE1 HIS 89 12.616 -6.228 7.035 616 HE2 HIS 89 HE2 HIS 89 11.260 -4.120 6.787 617 H LYS 90 HN LYS 90 5.480 -6.925 3.667 618 HA LYS 90 HA LYS 90 5.542 -7.187 0.737 619 HB2 LYS 90 HB2 LYS 90 3.827 -8.240 2.912 620 HB3 LYS 90 HB1 LYS 90 3.058 -7.942 1.375 621 HG2 LYS 90 HG2 LYS 90 4.658 -9.462 0.300 622 HG3 LYS 90 HG1 LYS 90 5.441 -9.734 1.860 623 HD2 LYS 90 HD2 LYS 90 2.597 -10.427 1.124 624 HD3 LYS 90 HD1 LYS 90 3.924 -11.561 1.373 625 HE2 LYS 90 HE2 LYS 90 4.093 -10.836 3.706 626 HE3 LYS 90 HE1 LYS 90 2.756 -9.719 3.457 627 HZ1 LYS 90 HZ1 LYS 90 1.935 -11.704 4.483 628 HZ2 LYS 90 HZ2 LYS 90 2.649 -12.682 3.304 629 HZ3 LYS 90 HZ3 LYS 90 1.363 -11.666 2.890 630 H LEU 91 HN LEU 91 4.261 -5.843 -0.474 631 HA LEU 91 HA LEU 91 3.067 -3.531 0.862 632 HB2 LEU 91 HB2 LEU 91 4.446 -3.103 -1.097 633 HB3 LEU 91 HB1 LEU 91 3.483 -4.165 -2.063 634 HG LEU 91 HG LEU 91 2.403 -2.375 -2.792 635 HD11 LEU 91 HD11 LEU 91 1.420 -1.998 0.017 636 HD12 LEU 91 HD12 LEU 91 0.625 -2.891 -1.279 637 HD13 LEU 91 HD13 LEU 91 0.802 -1.140 -1.396 638 HD21 LEU 91 HD21 LEU 91 4.332 -1.075 -2.163 639 HD22 LEU 91 HD22 LEU 91 3.614 -0.769 -0.583 640 HD23 LEU 91 HD23 LEU 91 2.843 -0.144 -2.041 641 H ILE 92 HN ILE 92 1.291 -4.157 1.775 642 HA ILE 92 HA ILE 92 -0.693 -5.738 0.367 643 HB ILE 92 HB ILE 92 -0.242 -4.864 3.191 644 HG12 ILE 92 HG12 ILE 92 -0.820 -7.381 3.505 645 HG13 ILE 92 HG11 ILE 92 -0.592 -7.483 1.762 646 HG21 ILE 92 HG21 ILE 92 -2.589 -4.353 2.797 647 HG22 ILE 92 HG22 ILE 92 -2.438 -5.756 3.855 648 HG23 ILE 92 HG23 ILE 92 -2.857 -5.973 2.158 649 HD11 ILE 92 HD11 ILE 92 1.400 -8.102 3.018 650 HD12 ILE 92 HD12 ILE 92 1.447 -6.482 3.711 651 HD13 ILE 92 HD13 ILE 92 1.663 -6.702 1.978 652 H SER 93 HN SER 93 -2.600 -4.902 -0.266 653 HA SER 93 HA SER 93 -3.096 -2.085 0.361 654 HB2 SER 93 HB2 SER 93 -4.204 -3.634 -1.975 655 HB3 SER 93 HB1 SER 93 -4.239 -1.888 -1.727 656 HG SER 93 HG SER 93 -1.899 -3.467 -2.074 657 H THR 94 HN THR 94 -4.591 -1.964 1.955 658 HA THR 94 HA THR 94 -6.190 -4.359 2.444 659 HB THR 94 HB THR 94 -5.621 -2.053 4.307 660 HG1 THR 94 HG1 THR 94 -4.056 -3.461 5.211 661 HG21 THR 94 HG21 THR 94 -6.390 -3.551 6.046 662 HG22 THR 94 HG22 THR 94 -6.616 -4.841 4.867 663 HG23 THR 94 HG23 THR 94 -7.635 -3.404 4.801 664 H PHE 95 HN PHE 95 -8.181 -4.222 1.623 665 HA PHE 95 HA PHE 95 -9.568 -1.645 1.810 666 HB2 PHE 95 HB2 PHE 95 -9.509 -3.123 -0.338 667 HB3 PHE 95 HB1 PHE 95 -10.733 -4.082 0.507 668 HD1 PHE 95 HD1 PHE 95 -12.893 -3.093 1.107 669 HD2 PHE 95 HD2 PHE 95 -10.032 -0.930 -1.187 670 HE1 PHE 95 HE1 PHE 95 -14.631 -1.471 0.470 671 HE2 PHE 95 HE2 PHE 95 -11.767 0.689 -1.833 672 HZ PHE 95 HZ PHE 95 -14.068 0.421 -1.002 673 H THR 96 HN THR 96 -10.292 -1.582 3.911 674 HA THR 96 HA THR 96 -11.663 -3.858 5.004 675 HB THR 96 HB THR 96 -12.086 -1.301 6.369 676 HG1 THR 96 HG1 THR 96 -10.086 -0.612 6.244 677 HG21 THR 96 HG21 THR 96 -12.512 -3.444 7.407 678 HG22 THR 96 HG22 THR 96 -11.189 -2.632 8.246 679 HG23 THR 96 HG23 THR 96 -10.846 -3.943 7.117 680 HA PRO 97 HA PRO 97 -15.130 -2.590 2.445 681 HB2 PRO 97 HB2 PRO 97 -16.703 -4.722 3.214 682 HB3 PRO 97 HB1 PRO 97 -15.556 -4.731 1.871 683 HG2 PRO 97 HG2 PRO 97 -15.290 -5.819 4.621 684 HG3 PRO 97 HG1 PRO 97 -14.635 -6.429 3.092 685 HD2 PRO 97 HD2 PRO 97 -13.142 -5.130 4.908 686 HD3 PRO 97 HD1 PRO 97 -12.820 -5.054 3.174 687 H SER 98 HN SER 98 -17.415 -2.198 2.704 688 HA SER 98 HA SER 98 -17.997 -0.698 5.028 689 HB2 SER 98 HB2 SER 98 -19.958 -1.623 2.923 690 HB3 SER 98 HB1 SER 98 -20.069 -0.187 3.939 691 HG SER 98 HG SER 98 -19.325 0.453 1.940 692 H ASN 99 HN ASN 99 -18.529 -3.962 4.102 693 HA ASN 99 HA ASN 99 -20.599 -4.614 5.936 694 HB2 ASN 99 HB2 ASN 99 -18.626 -6.114 4.296 695 HB3 ASN 99 HB1 ASN 99 -19.383 -6.961 5.634 696 HD21 ASN 99 HD21 ASN 99 -20.410 -8.363 4.192 697 HD22 ASN 99 HD22 ASN 99 -21.774 -7.862 3.253 698 H GLY 100 HN GLY 100 -17.269 -4.015 6.265 699 HA2 GLY 100 HA2 GLY 100 -16.003 -3.836 8.202 700 HA3 GLY 100 HA1 GLY 100 -17.347 -4.517 9.108 701 H GLY 101 HN GLY 101 -16.730 -6.361 6.427 702 HA2 GLY 101 HA2 GLY 101 -15.698 -8.515 8.048 703 HA3 GLY 101 HA1 GLY 101 -16.209 -8.617 6.370 704 H GLN 102 HN GLN 102 -14.287 -9.964 6.207 705 HA GLN 102 HA GLN 102 -11.694 -9.034 6.673 706 HB2 GLN 102 HB2 GLN 102 -12.700 -11.144 4.771 707 HB3 GLN 102 HB1 GLN 102 -10.997 -10.860 5.113 708 HG2 GLN 102 HG2 GLN 102 -11.454 -11.292 7.502 709 HG3 GLN 102 HG1 GLN 102 -13.112 -11.710 7.074 710 HE21 GLN 102 HE21 GLN 102 -13.509 -13.610 5.935 711 HE22 GLN 102 HE22 GLN 102 -12.333 -14.874 5.831 712 H ALA 103 HN ALA 103 -10.199 -8.064 5.483 713 HA ALA 103 HA ALA 103 -11.195 -6.207 3.503 714 HB1 ALA 103 HB1 ALA 103 -8.407 -6.567 4.597 715 HB2 ALA 103 HB2 ALA 103 -9.644 -5.498 5.261 716 HB3 ALA 103 HB3 ALA 103 -9.000 -5.202 3.641 717 H THR 104 HN THR 104 -10.416 -5.828 1.583 718 HA THR 104 HA THR 104 -9.557 -8.114 0.046 719 HB THR 104 HB THR 104 -10.806 -5.498 -0.488 720 HG1 THR 104 HG1 THR 104 -11.278 -8.180 -1.282 721 HG21 THR 104 HG21 THR 104 -9.225 -7.020 -2.553 722 HG22 THR 104 HG22 THR 104 -8.983 -5.354 -2.023 723 HG23 THR 104 HG23 THR 104 -10.422 -5.785 -2.937 724 H VAL 105 HN VAL 105 -7.527 -8.268 -0.908 725 HA VAL 105 HA VAL 105 -5.697 -6.050 -0.279 726 HB VAL 105 HB VAL 105 -5.217 -8.976 0.224 727 HG11 VAL 105 HG11 VAL 105 -3.166 -8.080 -0.595 728 HG12 VAL 105 HG12 VAL 105 -3.021 -8.216 1.159 729 HG13 VAL 105 HG13 VAL 105 -3.326 -6.645 0.415 730 HG21 VAL 105 HG21 VAL 105 -6.561 -7.841 1.943 731 HG22 VAL 105 HG22 VAL 105 -5.276 -6.639 2.125 732 HG23 VAL 105 HG23 VAL 105 -4.969 -8.321 2.556 733 H LEU 106 HN LEU 106 -4.257 -5.535 -1.718 734 HA LEU 106 HA LEU 106 -3.588 -7.415 -3.877 735 HB2 LEU 106 HB2 LEU 106 -3.676 -4.405 -3.849 736 HB3 LEU 106 HB1 LEU 106 -2.785 -5.298 -5.065 737 HG LEU 106 HG LEU 106 -4.859 -4.677 -6.011 738 HD11 LEU 106 HD11 LEU 106 -5.807 -6.827 -6.599 739 HD12 LEU 106 HD12 LEU 106 -5.058 -7.572 -5.186 740 HD13 LEU 106 HD13 LEU 106 -4.050 -6.954 -6.497 741 HD21 LEU 106 HD21 LEU 106 -7.034 -5.235 -5.038 742 HD22 LEU 106 HD22 LEU 106 -6.097 -4.266 -3.903 743 HD23 LEU 106 HD23 LEU 106 -6.239 -6.008 -3.661 744 H THR 107 HN THR 107 -1.565 -8.205 -3.728 745 HA THR 107 HA THR 107 0.162 -6.909 -1.722 746 HB THR 107 HB THR 107 0.185 -9.846 -2.382 747 HG1 THR 107 HG1 THR 107 -0.937 -9.422 -0.020 748 HG21 THR 107 HG21 THR 107 2.175 -8.912 -1.240 749 HG22 THR 107 HG22 THR 107 1.293 -10.062 -0.236 750 HG23 THR 107 HG23 THR 107 1.131 -8.329 0.060 751 H TYR 108 HN TYR 108 2.334 -6.818 -2.001 752 HA TYR 108 HA TYR 108 3.575 -7.942 -4.392 753 HB2 TYR 108 HB2 TYR 108 3.393 -5.814 -5.270 754 HB3 TYR 108 HB1 TYR 108 3.366 -5.053 -3.691 755 HD1 TYR 108 HD1 TYR 108 5.295 -4.127 -2.765 756 HD2 TYR 108 HD2 TYR 108 5.631 -6.629 -6.186 757 HE1 TYR 108 HE1 TYR 108 7.626 -3.440 -3.019 758 HE2 TYR 108 HE2 TYR 108 7.989 -5.963 -6.442 759 HH TYR 108 HH TYR 108 9.708 -4.321 -4.027 760 H ASP 109 HN ASP 109 5.773 -8.466 -4.061 761 HA ASP 109 HA ASP 109 6.545 -8.494 -1.236 762 HB2 ASP 109 HB2 ASP 109 7.446 -10.222 -3.546 763 HB3 ASP 109 HB1 ASP 109 7.992 -10.372 -1.890 764 H TRP 110 HN TRP 110 7.875 -6.782 -0.823 765 HA TRP 110 HA TRP 110 9.877 -5.986 -2.745 766 HB2 TRP 110 HB2 TRP 110 9.119 -4.174 -1.439 767 HB3 TRP 110 HB1 TRP 110 9.242 -5.081 0.062 768 HD1 TRP 110 HD1 TRP 110 11.533 -3.469 -2.589 769 HE1 TRP 110 HE1 TRP 110 13.760 -2.826 -1.455 770 HE3 TRP 110 HE3 TRP 110 10.687 -5.456 2.020 771 HZ2 TRP 110 HZ2 TRP 110 14.986 -3.154 1.067 772 HZ3 TRP 110 HZ3 TRP 110 12.428 -5.264 3.742 773 HH2 TRP 110 HH2 TRP 110 14.540 -4.133 3.279 774 H SER 111 HN SER 111 9.711 -7.787 0.247 775 HA SER 111 HA SER 111 12.427 -8.254 0.671 776 HB2 SER 111 HB2 SER 111 11.445 -10.370 1.827 777 HB3 SER 111 HB1 SER 111 11.021 -8.780 2.445 778 HG SER 111 HG SER 111 9.088 -9.701 2.250 779 H ALA 112 HN ALA 112 10.066 -9.910 -1.309 780 HA ALA 112 HA ALA 112 11.987 -11.931 -2.103 781 HB1 ALA 112 HB1 ALA 112 9.632 -12.537 -1.664 782 HB2 ALA 112 HB2 ALA 112 10.174 -12.980 -3.282 783 HB3 ALA 112 HB3 ALA 112 9.161 -11.558 -3.053 784 H ASN 113 HN ASN 113 11.703 -8.897 -2.911 785 HA ASN 113 HA ASN 113 11.827 -9.152 -5.807 786 HB2 ASN 113 HB2 ASN 113 10.730 -7.171 -4.716 787 HB3 ASN 113 HB1 ASN 113 12.314 -6.696 -4.108 788 HD21 ASN 113 HD21 ASN 113 10.278 -6.946 -6.904 789 HD22 ASN 113 HD22 ASN 113 11.259 -5.985 -7.952 790 H GLY 114 HN GLY 114 13.637 -10.602 -5.718 791 HA2 GLY 114 HA2 GLY 114 16.005 -9.740 -6.547 792 HA3 GLY 114 HA1 GLY 114 16.174 -9.516 -4.810 793 H VAL 115 HN VAL 115 17.968 -11.115 -5.548 794 HA VAL 115 HA VAL 115 17.320 -13.667 -4.534 795 HB VAL 115 HB VAL 115 16.422 -13.848 -6.854 796 HG11 VAL 115 HG11 VAL 115 19.303 -13.511 -7.662 797 HG12 VAL 115 HG12 VAL 115 17.973 -12.410 -8.024 798 HG13 VAL 115 HG13 VAL 115 17.998 -14.026 -8.731 799 HG21 VAL 115 HG21 VAL 115 17.077 -15.855 -5.700 800 HG22 VAL 115 HG22 VAL 115 18.765 -15.610 -6.149 801 HG23 VAL 115 HG23 VAL 115 17.567 -15.989 -7.390 802 H ASN 116 HN ASN 116 19.146 -14.770 -3.962 803 HA ASN 116 HA ASN 116 21.651 -13.410 -3.981 804 HB2 ASN 116 HB2 ASN 116 20.969 -14.925 -2.174 805 HB3 ASN 116 HB1 ASN 116 20.927 -16.261 -3.308 806 HD21 ASN 116 HD21 ASN 116 22.425 -17.394 -2.029 807 HD22 ASN 116 HD22 ASN 116 24.108 -16.985 -2.031 808 H SER 117 HN SER 117 23.217 -13.500 -5.486 809 HA SER 117 HA SER 117 22.595 -14.445 -8.050 810 HB2 SER 117 HB2 SER 117 25.295 -13.622 -6.966 811 HB3 SER 117 HB1 SER 117 24.832 -13.694 -8.667 812 HG SER 117 HG SER 117 23.019 -12.199 -7.729 813 H ASN 118 HN ASN 118 22.206 -16.612 -8.087 814 HA ASN 118 HA ASN 118 24.595 -18.315 -7.861 815 HB2 ASN 118 HB2 ASN 118 21.747 -18.958 -7.084 816 HB3 ASN 118 HB1 ASN 118 22.960 -20.203 -7.364 817 HD21 ASN 118 HD21 ASN 118 21.889 -17.665 -5.276 818 HD22 ASN 118 HD22 ASN 118 22.931 -18.045 -3.947 Start of MODEL 4 1 H1 HIS 6 HT1 HIS 6 -19.379 -8.050 -4.407 2 H2 HIS 6 HT2 HIS 6 -21.028 -7.679 -4.319 3 H3 HIS 6 HT3 HIS 6 -19.936 -6.890 -3.304 4 HA HIS 6 HA HIS 6 -20.072 -6.655 -6.251 5 HB2 HIS 6 HB2 HIS 6 -20.891 -4.823 -4.004 6 HB3 HIS 6 HB1 HIS 6 -20.498 -4.190 -5.595 7 HD1 HIS 6 HD1 HIS 6 -22.100 -4.921 -7.573 8 HD2 HIS 6 HD2 HIS 6 -23.415 -5.910 -3.753 9 HE1 HIS 6 HE1 HIS 6 -24.540 -5.463 -7.814 10 HE2 HIS 6 HE2 HIS 6 -25.322 -6.054 -5.497 11 H GLN 7 HN GLN 7 -18.721 -4.944 -3.411 12 HA GLN 7 HA GLN 7 -16.506 -3.948 -4.859 13 HB2 GLN 7 HB2 GLN 7 -17.295 -2.846 -2.834 14 HB3 GLN 7 HB1 GLN 7 -16.872 -4.265 -1.896 15 HG2 GLN 7 HG2 GLN 7 -15.136 -2.743 -1.525 16 HG3 GLN 7 HG1 GLN 7 -14.501 -3.924 -2.667 17 HE21 GLN 7 HE21 GLN 7 -16.730 -1.363 -3.526 18 HE22 GLN 7 HE22 GLN 7 -15.613 -0.472 -4.498 19 H ASP 8 HN ASP 8 -17.154 -6.970 -3.418 20 HA ASP 8 HA ASP 8 -14.583 -7.799 -2.737 21 HB2 ASP 8 HB2 ASP 8 -15.424 -10.049 -2.832 22 HB3 ASP 8 HB1 ASP 8 -16.669 -9.007 -2.160 23 H ASN 9 HN ASN 9 -16.201 -7.704 -5.849 24 HA ASN 9 HA ASN 9 -13.856 -8.782 -7.185 25 HB2 ASN 9 HB2 ASN 9 -16.447 -7.624 -8.238 26 HB3 ASN 9 HB1 ASN 9 -15.138 -8.183 -9.278 27 HD21 ASN 9 HD21 ASN 9 -14.660 -10.389 -9.361 28 HD22 ASN 9 HD22 ASN 9 -15.787 -11.586 -8.829 29 H ALA 10 HN ALA 10 -15.357 -5.722 -6.494 30 HA ALA 10 HA ALA 10 -14.000 -4.143 -8.414 31 HB1 ALA 10 HB1 ALA 10 -16.061 -3.460 -7.198 32 HB2 ALA 10 HB2 ALA 10 -14.775 -2.247 -7.202 33 HB3 ALA 10 HB3 ALA 10 -15.065 -3.218 -5.756 34 H ARG 11 HN ARG 11 -13.321 -4.914 -5.039 35 HA ARG 11 HA ARG 11 -11.254 -3.213 -4.491 36 HB2 ARG 11 HB2 ARG 11 -10.367 -4.991 -3.000 37 HB3 ARG 11 HB1 ARG 11 -12.072 -4.648 -2.765 38 HG2 ARG 11 HG2 ARG 11 -12.180 -6.916 -2.759 39 HG3 ARG 11 HG1 ARG 11 -12.312 -6.649 -4.494 40 HD2 ARG 11 HD2 ARG 11 -9.887 -7.015 -4.716 41 HD3 ARG 11 HD1 ARG 11 -9.799 -7.353 -2.991 42 HE ARG 11 HE ARG 11 -11.712 -9.044 -4.184 43 HH11 ARG 11 HH11 ARG 11 -8.250 -8.560 -4.003 44 HH12 ARG 11 HH12 ARG 11 -7.868 -10.222 -4.301 45 HH21 ARG 11 HH21 ARG 11 -11.206 -11.247 -4.588 46 HH22 ARG 11 HH22 ARG 11 -9.543 -11.747 -4.627 47 H LYS 12 HN LYS 12 -11.170 -6.189 -6.298 48 HA LYS 12 HA LYS 12 -8.414 -6.470 -6.516 49 HB2 LYS 12 HB2 LYS 12 -10.072 -8.213 -7.147 50 HB3 LYS 12 HB1 LYS 12 -10.521 -7.238 -8.544 51 HG2 LYS 12 HG2 LYS 12 -9.055 -8.963 -9.252 52 HG3 LYS 12 HG1 LYS 12 -8.177 -7.439 -9.334 53 HD2 LYS 12 HD2 LYS 12 -7.279 -8.008 -7.029 54 HD3 LYS 12 HD1 LYS 12 -7.930 -9.629 -7.289 55 HE2 LYS 12 HE2 LYS 12 -6.596 -9.849 -9.307 56 HE3 LYS 12 HE1 LYS 12 -5.991 -8.215 -9.077 57 HZ1 LYS 12 HZ1 LYS 12 -5.518 -10.524 -7.275 58 HZ2 LYS 12 HZ2 LYS 12 -4.977 -8.953 -6.986 59 HZ3 LYS 12 HZ3 LYS 12 -4.381 -9.821 -8.309 60 H SER 13 HN SER 13 -10.743 -4.647 -8.378 61 HA SER 13 HA SER 13 -8.738 -3.859 -10.315 62 HB2 SER 13 HB2 SER 13 -11.687 -3.233 -10.007 63 HB3 SER 13 HB1 SER 13 -10.694 -2.699 -11.370 64 HG SER 13 HG SER 13 -10.236 -4.998 -11.688 65 H ARG 14 HN ARG 14 -10.810 -2.288 -7.882 66 HA ARG 14 HA ARG 14 -9.973 0.343 -8.445 67 HB2 ARG 14 HB2 ARG 14 -11.038 0.949 -6.306 68 HB3 ARG 14 HB1 ARG 14 -12.069 -0.109 -7.259 69 HG2 ARG 14 HG2 ARG 14 -12.242 -1.458 -5.503 70 HG3 ARG 14 HG1 ARG 14 -10.514 -1.786 -5.659 71 HD2 ARG 14 HD2 ARG 14 -11.380 -1.004 -3.399 72 HD3 ARG 14 HD1 ARG 14 -9.940 -0.226 -4.030 73 HE ARG 14 HE ARG 14 -11.508 1.616 -4.738 74 HH11 ARG 14 HH11 ARG 14 -12.344 -0.513 -2.082 75 HH12 ARG 14 HH12 ARG 14 -13.302 0.674 -1.264 76 HH21 ARG 14 HH21 ARG 14 -12.769 3.180 -3.656 77 HH22 ARG 14 HH22 ARG 14 -13.552 2.775 -2.161 78 H ILE 15 HN ILE 15 -8.711 -2.106 -6.273 79 HA ILE 15 HA ILE 15 -6.921 -0.233 -5.009 80 HB ILE 15 HB ILE 15 -6.876 -3.252 -4.994 81 HG12 ILE 15 HG12 ILE 15 -7.924 -1.376 -2.858 82 HG13 ILE 15 HG11 ILE 15 -8.960 -2.167 -4.045 83 HG21 ILE 15 HG21 ILE 15 -4.740 -2.205 -4.417 84 HG22 ILE 15 HG22 ILE 15 -5.473 -2.977 -3.007 85 HG23 ILE 15 HG23 ILE 15 -5.552 -1.217 -3.196 86 HD11 ILE 15 HD11 ILE 15 -7.147 -3.637 -2.162 87 HD12 ILE 15 HD12 ILE 15 -8.396 -4.318 -3.222 88 HD13 ILE 15 HD13 ILE 15 -8.852 -3.298 -1.843 89 H GLN 16 HN GLN 16 -6.817 -2.813 -7.379 90 HA GLN 16 HA GLN 16 -4.168 -3.228 -7.809 91 HB2 GLN 16 HB2 GLN 16 -6.498 -3.916 -9.035 92 HB3 GLN 16 HB1 GLN 16 -5.659 -3.013 -10.292 93 HG2 GLN 16 HG2 GLN 16 -3.656 -4.523 -9.719 94 HG3 GLN 16 HG1 GLN 16 -4.863 -5.533 -8.921 95 HE21 GLN 16 HE21 GLN 16 -3.192 -6.076 -11.255 96 HE22 GLN 16 HE22 GLN 16 -4.287 -6.469 -12.537 97 H SER 17 HN SER 17 -6.136 -0.693 -9.357 98 HA SER 17 HA SER 17 -4.259 0.226 -11.175 99 HB2 SER 17 HB2 SER 17 -6.635 0.955 -11.096 100 HB3 SER 17 HB1 SER 17 -6.275 1.907 -9.658 101 HG SER 17 HG SER 17 -4.605 2.927 -11.104 102 H GLU 18 HN GLU 18 -4.825 1.336 -7.859 103 HA GLU 18 HA GLU 18 -2.514 3.063 -7.973 104 HB2 GLU 18 HB2 GLU 18 -4.276 2.500 -5.609 105 HB3 GLU 18 HB1 GLU 18 -3.205 3.874 -5.862 106 HG2 GLU 18 HG2 GLU 18 -5.560 3.260 -7.590 107 HG3 GLU 18 HG1 GLU 18 -5.614 4.341 -6.211 108 H HIS 19 HN HIS 19 -3.336 -0.092 -6.720 109 HA HIS 19 HA HIS 19 -1.416 -0.486 -4.771 110 HB2 HIS 19 HB2 HIS 19 -2.844 -2.292 -4.989 111 HB3 HIS 19 HB1 HIS 19 -2.756 -2.319 -6.739 112 HD1 HIS 19 HD1 HIS 19 -0.357 -3.045 -3.844 113 HD2 HIS 19 HD2 HIS 19 -1.381 -4.441 -7.615 114 HE1 HIS 19 HE1 HIS 19 1.079 -5.069 -4.221 115 HE2 HIS 19 HE2 HIS 19 0.329 -5.992 -6.441 116 H ARG 20 HN ARG 20 -1.013 -0.961 -8.282 117 HA ARG 20 HA ARG 20 1.694 -1.630 -8.257 118 HB2 ARG 20 HB2 ARG 20 0.316 0.081 -10.327 119 HB3 ARG 20 HB1 ARG 20 1.767 -0.885 -10.553 120 HG2 ARG 20 HG2 ARG 20 0.287 -2.887 -9.937 121 HG3 ARG 20 HG1 ARG 20 -1.066 -1.793 -10.245 122 HD2 ARG 20 HD2 ARG 20 1.132 -2.529 -12.159 123 HD3 ARG 20 HD1 ARG 20 -0.547 -3.055 -12.242 124 HE ARG 20 HE ARG 20 -0.706 -0.337 -12.293 125 HH11 ARG 20 HH11 ARG 20 1.037 -2.700 -14.193 126 HH12 ARG 20 HH12 ARG 20 1.002 -1.750 -15.644 127 HH21 ARG 20 HH21 ARG 20 -0.728 0.936 -14.186 128 HH22 ARG 20 HH22 ARG 20 0.006 0.329 -15.637 129 H GLU 21 HN GLU 21 0.118 1.518 -8.248 130 HA GLU 21 HA GLU 21 2.346 3.186 -8.514 131 HB2 GLU 21 HB2 GLU 21 -0.087 3.805 -6.835 132 HB3 GLU 21 HB1 GLU 21 0.941 4.940 -7.692 133 HG2 GLU 21 HG2 GLU 21 -0.725 2.877 -9.068 134 HG3 GLU 21 HG1 GLU 21 -1.333 4.491 -8.700 135 H LEU 22 HN LEU 22 0.724 2.004 -5.569 136 HA LEU 22 HA LEU 22 2.348 3.359 -3.740 137 HB2 LEU 22 HB2 LEU 22 0.690 0.876 -3.479 138 HB3 LEU 22 HB1 LEU 22 1.686 1.433 -2.153 139 HG LEU 22 HG LEU 22 -0.407 2.299 -1.650 140 HD11 LEU 22 HD11 LEU 22 -0.185 4.678 -1.844 141 HD12 LEU 22 HD12 LEU 22 0.900 4.518 -3.221 142 HD13 LEU 22 HD13 LEU 22 1.420 3.985 -1.621 143 HD21 LEU 22 HD21 LEU 22 -1.436 1.761 -3.815 144 HD22 LEU 22 HD22 LEU 22 -0.697 3.210 -4.502 145 HD23 LEU 22 HD23 LEU 22 -1.892 3.353 -3.211 146 H VAL 23 HN VAL 23 2.764 0.126 -5.151 147 HA VAL 23 HA VAL 23 5.123 -0.347 -3.633 148 HB VAL 23 HB VAL 23 4.719 -2.417 -4.192 149 HG11 VAL 23 HG11 VAL 23 2.384 -1.654 -4.684 150 HG12 VAL 23 HG12 VAL 23 2.878 -3.121 -5.531 151 HG13 VAL 23 HG13 VAL 23 2.843 -1.582 -6.386 152 HG21 VAL 23 HG21 VAL 23 6.437 -2.159 -5.827 153 HG22 VAL 23 HG22 VAL 23 5.255 -1.569 -7.007 154 HG23 VAL 23 HG23 VAL 23 5.183 -3.241 -6.449 155 H SER 24 HN SER 24 4.425 0.896 -6.854 156 HA SER 24 HA SER 24 7.070 1.137 -7.759 157 HB2 SER 24 HB2 SER 24 4.969 1.632 -9.095 158 HB3 SER 24 HB1 SER 24 4.860 3.161 -8.221 159 HG SER 24 HG SER 24 6.781 2.302 -10.096 160 H ALA 25 HN ALA 25 5.231 2.808 -5.362 161 HA ALA 25 HA ALA 25 7.174 4.951 -5.032 162 HB1 ALA 25 HB1 ALA 25 5.769 5.788 -3.312 163 HB2 ALA 25 HB2 ALA 25 4.929 4.243 -3.161 164 HB3 ALA 25 HB3 ALA 25 4.689 5.233 -4.609 165 H ILE 26 HN ILE 26 6.288 1.896 -3.428 166 HA ILE 26 HA ILE 26 7.919 2.090 -1.202 167 HB ILE 26 HB ILE 26 6.940 -0.229 -2.820 168 HG12 ILE 26 HG12 ILE 26 6.713 0.675 0.028 169 HG13 ILE 26 HG11 ILE 26 5.437 0.586 -1.179 170 HG21 ILE 26 HG21 ILE 26 8.904 -0.575 -0.570 171 HG22 ILE 26 HG22 ILE 26 9.289 -0.783 -2.280 172 HG23 ILE 26 HG23 ILE 26 8.119 -1.851 -1.503 173 HD11 ILE 26 HD11 ILE 26 5.388 -1.781 -1.087 174 HD12 ILE 26 HD12 ILE 26 5.413 -1.191 0.593 175 HD13 ILE 26 HD13 ILE 26 6.887 -1.824 -0.141 176 H GLN 27 HN GLN 27 8.653 0.779 -4.384 177 HA GLN 27 HA GLN 27 11.345 0.201 -3.958 178 HB2 GLN 27 HB2 GLN 27 9.964 0.968 -6.534 179 HB3 GLN 27 HB1 GLN 27 11.499 0.110 -6.401 180 HG2 GLN 27 HG2 GLN 27 10.318 -1.711 -5.221 181 HG3 GLN 27 HG1 GLN 27 8.809 -0.853 -5.479 182 HE21 GLN 27 HE21 GLN 27 7.933 -0.750 -7.549 183 HE22 GLN 27 HE22 GLN 27 8.457 -1.797 -8.822 184 H SER 28 HN SER 28 9.732 3.171 -4.759 185 HA SER 28 HA SER 28 12.088 4.644 -5.427 186 HB2 SER 28 HB2 SER 28 9.244 5.434 -4.802 187 HB3 SER 28 HB1 SER 28 10.476 6.577 -5.308 188 HG SER 28 HG SER 28 9.203 4.548 -6.756 189 H TYR 29 HN TYR 29 9.886 4.608 -2.619 190 HA TYR 29 HA TYR 29 11.201 6.365 -0.920 191 HB2 TYR 29 HB2 TYR 29 8.974 5.384 -0.512 192 HB3 TYR 29 HB1 TYR 29 9.703 3.808 -0.269 193 HD1 TYR 29 HD1 TYR 29 7.880 4.648 1.816 194 HD2 TYR 29 HD2 TYR 29 11.971 5.726 1.270 195 HE1 TYR 29 HE1 TYR 29 8.083 5.157 4.209 196 HE2 TYR 29 HE2 TYR 29 12.169 6.239 3.667 197 HH TYR 29 HH TYR 29 9.848 5.282 5.936 198 H ILE 30 HN ILE 30 11.507 2.860 -1.168 199 HA ILE 30 HA ILE 30 13.500 2.575 0.772 200 HB ILE 30 HB ILE 30 12.665 0.822 -1.523 201 HG12 ILE 30 HG12 ILE 30 11.993 0.904 1.425 202 HG13 ILE 30 HG11 ILE 30 10.924 1.270 0.085 203 HG21 ILE 30 HG21 ILE 30 14.566 0.262 0.735 204 HG22 ILE 30 HG22 ILE 30 14.872 0.151 -0.997 205 HG23 ILE 30 HG23 ILE 30 13.787 -1.003 -0.215 206 HD11 ILE 30 HD11 ILE 30 10.391 -0.876 0.990 207 HD12 ILE 30 HD12 ILE 30 12.059 -1.420 0.782 208 HD13 ILE 30 HD13 ILE 30 11.059 -1.069 -0.630 209 H GLY 31 HN GLY 31 13.711 3.072 -2.720 210 HA2 GLY 31 HA2 GLY 31 16.536 2.623 -2.846 211 HA3 GLY 31 HA1 GLY 31 15.547 3.380 -4.091 212 H ALA 32 HN ALA 32 14.627 5.155 -1.704 213 HA ALA 32 HA ALA 32 16.691 7.193 -2.059 214 HB1 ALA 32 HB1 ALA 32 15.076 8.750 -1.276 215 HB2 ALA 32 HB2 ALA 32 14.048 7.458 -0.654 216 HB3 ALA 32 HB3 ALA 32 14.240 7.671 -2.398 217 H GLN 33 HN GLN 33 15.417 5.001 0.286 218 HA GLN 33 HA GLN 33 15.930 6.304 2.648 219 HB2 GLN 33 HB2 GLN 33 15.823 3.425 1.890 220 HB3 GLN 33 HB1 GLN 33 16.201 3.921 3.537 221 HG2 GLN 33 HG2 GLN 33 13.873 5.180 2.271 222 HG3 GLN 33 HG1 GLN 33 13.734 3.485 2.685 223 HE21 GLN 33 HE21 GLN 33 14.173 6.711 3.906 224 HE22 GLN 33 HE22 GLN 33 13.818 6.352 5.560 225 H ASP 34 HN ASP 34 17.552 6.001 4.203 226 HA ASP 34 HA ASP 34 20.190 6.270 3.254 227 HB2 ASP 34 HB2 ASP 34 19.224 7.210 5.384 228 HB3 ASP 34 HB1 ASP 34 19.351 5.592 6.056 229 H ASP 35 HN ASP 35 18.300 3.670 4.444 230 HA ASP 35 HA ASP 35 20.358 1.809 3.479 231 HB2 ASP 35 HB2 ASP 35 18.702 0.856 5.770 232 HB3 ASP 35 HB1 ASP 35 20.307 0.373 5.271 233 HA PRO 36 HA PRO 36 16.468 0.874 1.334 234 HB2 PRO 36 HB2 PRO 36 17.587 -0.156 -0.834 235 HB3 PRO 36 HB1 PRO 36 17.676 1.576 -0.530 236 HG2 PRO 36 HG2 PRO 36 19.721 -0.519 0.153 237 HG3 PRO 36 HG1 PRO 36 19.958 0.951 -0.809 238 HD2 PRO 36 HD2 PRO 36 20.561 0.940 1.776 239 HD3 PRO 36 HD1 PRO 36 19.754 2.348 1.051 240 H THR 37 HN THR 37 18.813 -0.877 2.748 241 HA THR 37 HA THR 37 18.240 -3.471 1.733 242 HB THR 37 HB THR 37 19.959 -4.212 3.238 243 HG1 THR 37 HG1 THR 37 20.779 -2.315 4.680 244 HG21 THR 37 HG21 THR 37 20.551 -1.415 2.260 245 HG22 THR 37 HG22 THR 37 20.734 -2.904 1.323 246 HG23 THR 37 HG23 THR 37 21.764 -2.612 2.726 247 H ASN 38 HN ASN 38 17.305 -1.579 4.453 248 HA ASN 38 HA ASN 38 15.067 -3.295 4.981 249 HB2 ASN 38 HB2 ASN 38 17.100 -4.269 6.166 250 HB3 ASN 38 HB1 ASN 38 17.032 -2.856 7.218 251 HD21 ASN 38 HD21 ASN 38 15.592 -5.882 6.373 252 HD22 ASN 38 HD22 ASN 38 14.465 -5.952 7.684 253 HA PRO 39 HA PRO 39 14.862 1.402 5.664 254 HB2 PRO 39 HB2 PRO 39 12.484 1.589 4.267 255 HB3 PRO 39 HB1 PRO 39 14.093 1.917 3.622 256 HG2 PRO 39 HG2 PRO 39 12.430 -0.541 3.378 257 HG3 PRO 39 HG1 PRO 39 13.490 0.223 2.199 258 HD2 PRO 39 HD2 PRO 39 14.223 -1.968 3.499 259 HD3 PRO 39 HD1 PRO 39 15.385 -0.704 3.087 260 H SER 40 HN SER 40 12.898 2.683 6.360 261 HA SER 40 HA SER 40 11.862 1.558 8.746 262 HB2 SER 40 HB2 SER 40 11.020 4.083 7.304 263 HB3 SER 40 HB1 SER 40 10.673 3.688 8.987 264 HG SER 40 HG SER 40 13.288 3.429 8.622 265 H GLU 41 HN GLU 41 9.381 2.123 9.154 266 HA GLU 41 HA GLU 41 7.829 0.328 7.598 267 HB2 GLU 41 HB2 GLU 41 7.116 0.487 9.804 268 HB3 GLU 41 HB1 GLU 41 7.333 2.225 9.860 269 HG2 GLU 41 HG2 GLU 41 5.386 2.522 8.481 270 HG3 GLU 41 HG1 GLU 41 5.135 0.779 8.418 271 H ILE 42 HN ILE 42 6.499 0.697 5.965 272 HA ILE 42 HA ILE 42 6.683 3.351 4.772 273 HB ILE 42 HB ILE 42 6.331 0.606 3.614 274 HG12 ILE 42 HG12 ILE 42 8.469 2.677 3.670 275 HG13 ILE 42 HG11 ILE 42 8.580 0.930 3.831 276 HG21 ILE 42 HG21 ILE 42 6.061 1.600 1.447 277 HG22 ILE 42 HG22 ILE 42 6.145 3.214 2.139 278 HG23 ILE 42 HG23 ILE 42 4.786 2.158 2.523 279 HD11 ILE 42 HD11 ILE 42 8.120 2.446 1.287 280 HD12 ILE 42 HD12 ILE 42 8.205 0.687 1.437 281 HD13 ILE 42 HD13 ILE 42 9.624 1.673 1.793 282 H THR 43 HN THR 43 4.908 4.550 4.559 283 HA THR 43 HA THR 43 2.314 3.185 4.412 284 HB THR 43 HB THR 43 1.262 5.056 5.636 285 HG1 THR 43 HG1 THR 43 2.797 6.367 6.912 286 HG21 THR 43 HG21 THR 43 3.444 3.664 7.193 287 HG22 THR 43 HG22 THR 43 1.860 2.981 6.810 288 HG23 THR 43 HG23 THR 43 1.984 4.387 7.870 289 H LEU 44 HN LEU 44 0.606 4.701 3.573 290 HA LEU 44 HA LEU 44 1.399 5.527 1.012 291 HB2 LEU 44 HB2 LEU 44 -1.074 6.310 2.482 292 HB3 LEU 44 HB1 LEU 44 -0.835 6.318 0.763 293 HG LEU 44 HG LEU 44 -1.246 4.018 2.582 294 HD11 LEU 44 HD11 LEU 44 -2.838 5.424 0.850 295 HD12 LEU 44 HD12 LEU 44 -3.186 3.850 1.558 296 HD13 LEU 44 HD13 LEU 44 -2.436 3.954 -0.036 297 HD21 LEU 44 HD21 LEU 44 -0.595 2.508 0.740 298 HD22 LEU 44 HD22 LEU 44 0.760 3.424 1.391 299 HD23 LEU 44 HD23 LEU 44 0.028 3.903 -0.136 300 H ALA 45 HN ALA 45 0.771 7.177 3.983 301 HA ALA 45 HA ALA 45 0.863 9.815 3.015 302 HB1 ALA 45 HB1 ALA 45 1.095 10.420 5.384 303 HB2 ALA 45 HB2 ALA 45 1.386 8.720 5.779 304 HB3 ALA 45 HB3 ALA 45 -0.189 9.228 5.120 305 H LYS 46 HN LYS 46 3.308 7.520 3.911 306 HA LYS 46 HA LYS 46 5.496 9.401 3.846 307 HB2 LYS 46 HB2 LYS 46 5.315 6.425 4.011 308 HB3 LYS 46 HB1 LYS 46 6.830 7.283 3.991 309 HG2 LYS 46 HG2 LYS 46 6.305 8.365 6.061 310 HG3 LYS 46 HG1 LYS 46 4.684 7.660 6.047 311 HD2 LYS 46 HD2 LYS 46 5.804 5.402 6.001 312 HD3 LYS 46 HD1 LYS 46 7.317 6.246 6.349 313 HE2 LYS 46 HE2 LYS 46 4.815 6.359 8.010 314 HE3 LYS 46 HE1 LYS 46 6.239 5.354 8.354 315 HZ1 LYS 46 HZ1 LYS 46 6.282 7.384 9.656 316 HZ2 LYS 46 HZ2 LYS 46 6.187 8.325 8.259 317 HZ3 LYS 46 HZ3 LYS 46 7.560 7.382 8.549 318 H LEU 47 HN LEU 47 4.033 6.969 1.809 319 HA LEU 47 HA LEU 47 6.049 6.926 -0.170 320 HB2 LEU 47 HB2 LEU 47 3.194 6.009 -0.064 321 HB3 LEU 47 HB1 LEU 47 4.159 5.847 -1.522 322 HG LEU 47 HG LEU 47 4.733 4.595 1.159 323 HD11 LEU 47 HD11 LEU 47 4.308 2.491 -0.027 324 HD12 LEU 47 HD12 LEU 47 3.854 3.404 -1.465 325 HD13 LEU 47 HD13 LEU 47 2.890 3.537 0.005 326 HD21 LEU 47 HD21 LEU 47 6.810 5.173 0.057 327 HD22 LEU 47 HD22 LEU 47 6.253 4.425 -1.440 328 HD23 LEU 47 HD23 LEU 47 6.556 3.431 -0.017 329 H ALA 48 HN ALA 48 3.777 9.217 0.622 330 HA ALA 48 HA ALA 48 2.576 10.163 -1.590 331 HB1 ALA 48 HB1 ALA 48 2.550 11.059 0.808 332 HB2 ALA 48 HB2 ALA 48 2.302 12.195 -0.518 333 HB3 ALA 48 HB3 ALA 48 3.870 12.105 0.276 334 HA PRO 49 HA PRO 49 6.296 12.933 -2.954 335 HB2 PRO 49 HB2 PRO 49 8.604 11.695 -1.581 336 HB3 PRO 49 HB1 PRO 49 8.180 13.396 -1.741 337 HG2 PRO 49 HG2 PRO 49 7.913 12.196 0.598 338 HG3 PRO 49 HG1 PRO 49 6.647 13.306 0.023 339 HD2 PRO 49 HD2 PRO 49 6.738 10.317 -0.157 340 HD3 PRO 49 HD1 PRO 49 5.445 11.341 0.482 341 H TYR 50 HN TYR 50 6.537 9.549 -2.482 342 HA TYR 50 HA TYR 50 8.488 9.173 -4.630 343 HB2 TYR 50 HB2 TYR 50 7.308 7.144 -2.735 344 HB3 TYR 50 HB1 TYR 50 8.704 6.920 -3.785 345 HD1 TYR 50 HD1 TYR 50 10.739 8.453 -3.360 346 HD2 TYR 50 HD2 TYR 50 7.586 7.890 -0.578 347 HE1 TYR 50 HE1 TYR 50 12.203 9.269 -1.559 348 HE2 TYR 50 HE2 TYR 50 9.036 8.703 1.244 349 HH TYR 50 HH TYR 50 11.976 10.295 0.669 350 H MET 51 HN MET 51 5.199 9.299 -4.286 351 HA MET 51 HA MET 51 4.388 7.023 -5.761 352 HB2 MET 51 HB2 MET 51 2.973 9.613 -5.202 353 HB3 MET 51 HB1 MET 51 2.225 8.219 -5.972 354 HG2 MET 51 HG2 MET 51 3.451 8.222 -3.236 355 HG3 MET 51 HG1 MET 51 1.727 8.382 -3.577 356 HE1 MET 51 HE1 MET 51 1.091 4.890 -5.331 357 HE2 MET 51 HE2 MET 51 2.025 6.083 -6.231 358 HE3 MET 51 HE3 MET 51 0.617 6.591 -5.296 359 H SER 52 HN SER 52 3.587 6.879 -7.818 360 HA SER 52 HA SER 52 5.119 8.496 -9.693 361 HB2 SER 52 HB2 SER 52 3.540 5.982 -10.251 362 HB3 SER 52 HB1 SER 52 4.800 6.700 -11.255 363 HG SER 52 HG SER 52 5.487 4.889 -9.921 364 H LYS 53 HN LYS 53 1.768 7.467 -9.138 365 HA LYS 53 HA LYS 53 0.838 9.265 -11.203 366 HB2 LYS 53 HB2 LYS 53 -0.817 7.760 -11.380 367 HB3 LYS 53 HB1 LYS 53 -0.024 6.804 -10.148 368 HG2 LYS 53 HG2 LYS 53 -1.994 8.972 -9.500 369 HG3 LYS 53 HG1 LYS 53 -2.469 7.305 -9.795 370 HD2 LYS 53 HD2 LYS 53 -0.998 6.606 -7.917 371 HD3 LYS 53 HD1 LYS 53 -0.632 8.313 -7.605 372 HE2 LYS 53 HE2 LYS 53 -2.852 6.743 -6.693 373 HE3 LYS 53 HE1 LYS 53 -2.414 8.415 -6.299 374 HZ1 LYS 53 HZ1 LYS 53 -4.438 8.770 -7.226 375 HZ2 LYS 53 HZ2 LYS 53 -4.369 7.392 -8.210 376 HZ3 LYS 53 HZ3 LYS 53 -3.533 8.795 -8.660 377 H ASN 54 HN ASN 54 -0.072 11.230 -10.773 378 HA ASN 54 HA ASN 54 -1.234 12.894 -9.758 379 HB2 ASN 54 HB2 ASN 54 -2.863 11.092 -9.383 380 HB3 ASN 54 HB1 ASN 54 -2.087 10.708 -7.847 381 HD21 ASN 54 HD21 ASN 54 -4.072 12.991 -9.570 382 HD22 ASN 54 HD22 ASN 54 -4.613 13.876 -8.183 383 H ALA 55 HN ALA 55 -0.102 10.912 -7.127 384 HA ALA 55 HA ALA 55 -0.264 12.735 -5.090 385 HB1 ALA 55 HB1 ALA 55 -0.081 10.725 -4.206 386 HB2 ALA 55 HB2 ALA 55 1.663 10.935 -4.338 387 HB3 ALA 55 HB3 ALA 55 0.769 10.080 -5.612 388 H LYS 56 HN LYS 56 1.343 13.586 -3.750 389 HA LYS 56 HA LYS 56 4.045 13.911 -4.515 390 HB2 LYS 56 HB2 LYS 56 2.942 15.558 -6.047 391 HB3 LYS 56 HB1 LYS 56 2.325 16.392 -4.630 392 HG2 LYS 56 HG2 LYS 56 4.279 17.527 -5.456 393 HG3 LYS 56 HG1 LYS 56 4.628 16.803 -3.887 394 HD2 LYS 56 HD2 LYS 56 6.497 16.438 -5.368 395 HD3 LYS 56 HD1 LYS 56 5.703 14.898 -5.044 396 HE2 LYS 56 HE2 LYS 56 4.525 15.079 -7.197 397 HE3 LYS 56 HE1 LYS 56 5.361 16.597 -7.515 398 HZ1 LYS 56 HZ1 LYS 56 6.483 14.824 -8.643 399 HZ2 LYS 56 HZ2 LYS 56 6.604 13.920 -7.221 400 HZ3 LYS 56 HZ3 LYS 56 7.474 15.359 -7.380 401 H ASN 57 HN ASN 57 1.313 15.133 -2.647 402 HA ASN 57 HA ASN 57 3.001 14.989 -0.257 403 HB2 ASN 57 HB2 ASN 57 0.711 16.856 -0.861 404 HB3 ASN 57 HB1 ASN 57 1.273 16.555 0.783 405 HD21 ASN 57 HD21 ASN 57 3.328 17.277 1.385 406 HD22 ASN 57 HD22 ASN 57 4.177 18.480 0.479 407 H GLU 58 HN GLU 58 1.758 14.525 1.699 408 HA GLU 58 HA GLU 58 0.378 12.124 1.517 409 HB2 GLU 58 HB2 GLU 58 0.911 12.173 3.678 410 HB3 GLU 58 HB1 GLU 58 1.260 13.891 3.569 411 HG2 GLU 58 HG2 GLU 58 -1.017 14.439 3.990 412 HG3 GLU 58 HG1 GLU 58 -1.462 12.733 4.009 413 H ASP 59 HN ASP 59 -0.726 15.419 1.727 414 HA ASP 59 HA ASP 59 -3.447 15.036 2.135 415 HB2 ASP 59 HB2 ASP 59 -2.163 17.204 2.187 416 HB3 ASP 59 HB1 ASP 59 -2.237 17.188 0.435 417 H GLY 60 HN GLY 60 -1.528 14.882 -0.773 418 HA2 GLY 60 HA2 GLY 60 -3.885 14.702 -2.451 419 HA3 GLY 60 HA1 GLY 60 -2.224 14.767 -3.002 420 H ILE 61 HN ILE 61 -1.186 12.626 -1.498 421 HA ILE 61 HA ILE 61 -1.672 10.632 -3.369 422 HB ILE 61 HB ILE 61 0.470 10.691 -2.343 423 HG12 ILE 61 HG12 ILE 61 0.801 8.439 -1.734 424 HG13 ILE 61 HG11 ILE 61 -0.851 8.267 -1.147 425 HG21 ILE 61 HG21 ILE 61 -0.860 10.151 0.305 426 HG22 ILE 61 HG22 ILE 61 -0.193 11.697 -0.212 427 HG23 ILE 61 HG23 ILE 61 0.870 10.308 0.013 428 HD11 ILE 61 HD11 ILE 61 -0.213 8.820 -4.034 429 HD12 ILE 61 HD12 ILE 61 -1.725 8.227 -3.330 430 HD13 ILE 61 HD13 ILE 61 -0.297 7.186 -3.375 431 H VAL 62 HN VAL 62 -2.431 10.581 0.044 432 HA VAL 62 HA VAL 62 -3.537 8.004 -0.078 433 HB VAL 62 HB VAL 62 -3.931 10.125 2.029 434 HG11 VAL 62 HG11 VAL 62 -4.111 7.148 2.230 435 HG12 VAL 62 HG12 VAL 62 -5.504 8.233 2.109 436 HG13 VAL 62 HG13 VAL 62 -4.421 8.320 3.507 437 HG21 VAL 62 HG21 VAL 62 -1.670 8.509 1.243 438 HG22 VAL 62 HG22 VAL 62 -2.136 8.260 2.930 439 HG23 VAL 62 HG23 VAL 62 -1.751 9.888 2.348 440 H ASN 63 HN ASN 63 -4.928 11.208 -0.012 441 HA ASN 63 HA ASN 63 -7.629 10.441 0.001 442 HB2 ASN 63 HB2 ASN 63 -6.779 12.719 0.546 443 HB3 ASN 63 HB1 ASN 63 -6.440 12.969 -1.164 444 HD21 ASN 63 HD21 ASN 63 -7.844 14.744 -1.192 445 HD22 ASN 63 HD22 ASN 63 -9.562 14.541 -1.192 446 H SER 64 HN SER 64 -5.290 10.742 -2.582 447 HA SER 64 HA SER 64 -7.217 10.513 -4.708 448 HB2 SER 64 HB2 SER 64 -5.094 11.683 -5.082 449 HB3 SER 64 HB1 SER 64 -4.197 10.211 -4.719 450 HG SER 64 HG SER 64 -5.902 10.733 -6.925 451 H LEU 65 HN LEU 65 -5.610 8.392 -2.605 452 HA LEU 65 HA LEU 65 -5.722 6.084 -4.347 453 HB2 LEU 65 HB2 LEU 65 -4.886 6.476 -1.486 454 HB3 LEU 65 HB1 LEU 65 -4.877 4.915 -2.283 455 HG LEU 65 HG LEU 65 -3.282 7.312 -3.137 456 HD11 LEU 65 HD11 LEU 65 -2.418 4.789 -1.750 457 HD12 LEU 65 HD12 LEU 65 -2.591 6.362 -0.976 458 HD13 LEU 65 HD13 LEU 65 -1.385 6.129 -2.236 459 HD21 LEU 65 HD21 LEU 65 -2.114 5.652 -4.542 460 HD22 LEU 65 HD22 LEU 65 -3.803 5.886 -4.998 461 HD23 LEU 65 HD23 LEU 65 -3.328 4.459 -4.073 462 H ALA 66 HN ALA 66 -6.783 4.112 -3.722 463 HA ALA 66 HA ALA 66 -9.469 4.264 -3.182 464 HB1 ALA 66 HB1 ALA 66 -8.401 2.233 -4.086 465 HB2 ALA 66 HB2 ALA 66 -9.420 1.871 -2.681 466 HB3 ALA 66 HB3 ALA 66 -7.662 1.936 -2.507 467 H LYS 67 HN LYS 67 -10.745 4.155 -1.464 468 HA LYS 67 HA LYS 67 -9.418 4.461 1.132 469 HB2 LYS 67 HB2 LYS 67 -12.073 5.516 0.183 470 HB3 LYS 67 HB1 LYS 67 -11.488 5.648 1.831 471 HG2 LYS 67 HG2 LYS 67 -10.454 6.999 -0.633 472 HG3 LYS 67 HG1 LYS 67 -11.008 7.723 0.879 473 HD2 LYS 67 HD2 LYS 67 -9.042 6.470 1.956 474 HD3 LYS 67 HD1 LYS 67 -8.449 6.272 0.302 475 HE2 LYS 67 HE2 LYS 67 -7.440 8.217 1.422 476 HE3 LYS 67 HE1 LYS 67 -8.397 8.674 0.009 477 HZ1 LYS 67 HZ1 LYS 67 -9.389 8.805 2.808 478 HZ2 LYS 67 HZ2 LYS 67 -10.181 9.374 1.426 479 HZ3 LYS 67 HZ3 LYS 67 -8.762 10.123 1.954 480 H ASP 68 HN ASP 68 -9.979 3.186 2.775 481 HA ASP 68 HA ASP 68 -11.291 0.751 2.048 482 HB2 ASP 68 HB2 ASP 68 -9.321 0.743 3.548 483 HB3 ASP 68 HB1 ASP 68 -10.247 1.601 4.772 484 H LYS 69 HN LYS 69 -13.101 -0.178 3.323 485 HA LYS 69 HA LYS 69 -15.195 1.768 3.185 486 HB2 LYS 69 HB2 LYS 69 -15.274 -0.671 2.433 487 HB3 LYS 69 HB1 LYS 69 -15.535 -1.037 4.130 488 HG2 LYS 69 HG2 LYS 69 -17.589 0.007 4.187 489 HG3 LYS 69 HG1 LYS 69 -17.253 0.970 2.746 490 HD2 LYS 69 HD2 LYS 69 -18.754 -0.646 2.002 491 HD3 LYS 69 HD1 LYS 69 -17.180 -1.283 1.525 492 HE2 LYS 69 HE2 LYS 69 -18.382 -3.094 2.473 493 HE3 LYS 69 HE1 LYS 69 -17.183 -2.591 3.666 494 HZ1 LYS 69 HZ1 LYS 69 -19.405 -3.013 4.613 495 HZ2 LYS 69 HZ2 LYS 69 -20.018 -1.730 3.698 496 HZ3 LYS 69 HZ3 LYS 69 -18.857 -1.435 4.890 497 H SER 70 HN SER 70 -14.010 -0.349 5.818 498 HA SER 70 HA SER 70 -15.414 1.425 7.689 499 HB2 SER 70 HB2 SER 70 -14.400 -1.387 8.020 500 HB3 SER 70 HB1 SER 70 -15.053 -0.426 9.345 501 HG SER 70 HG SER 70 -16.987 -0.223 8.040 502 H GLY 71 HN GLY 71 -12.271 0.054 6.951 503 HA2 GLY 71 HA2 GLY 71 -10.163 0.687 7.612 504 HA3 GLY 71 HA1 GLY 71 -10.882 2.130 8.314 505 H ASN 72 HN ASN 72 -12.219 -0.847 9.326 506 HA ASN 72 HA ASN 72 -11.568 -0.172 12.027 507 HB2 ASN 72 HB2 ASN 72 -12.993 -2.077 12.651 508 HB3 ASN 72 HB1 ASN 72 -13.789 -0.995 11.521 509 HD21 ASN 72 HD21 ASN 72 -15.223 -2.453 10.738 510 HD22 ASN 72 HD22 ASN 72 -14.774 -3.826 9.788 511 H SER 73 HN SER 73 -9.902 -1.872 9.732 512 HA SER 73 HA SER 73 -8.700 -3.714 11.660 513 HB2 SER 73 HB2 SER 73 -9.416 -4.621 9.457 514 HB3 SER 73 HB1 SER 73 -8.269 -3.542 8.666 515 HG SER 73 HG SER 73 -6.698 -4.658 10.195 516 H SER 74 HN SER 74 -8.312 -0.634 10.856 517 HA SER 74 HA SER 74 -6.668 0.912 11.024 518 HB2 SER 74 HB2 SER 74 -6.251 -0.303 13.176 519 HB3 SER 74 HB1 SER 74 -5.047 -1.281 12.341 520 HG SER 74 HG SER 74 -3.790 0.289 13.019 521 H THR 75 HN THR 75 -6.334 1.118 8.818 522 HA THR 75 HA THR 75 -4.456 -0.663 7.506 523 HB THR 75 HB THR 75 -6.557 0.091 6.366 524 HG1 THR 75 HG1 THR 75 -4.027 0.649 5.186 525 HG21 THR 75 HG21 THR 75 -5.111 2.726 6.085 526 HG22 THR 75 HG22 THR 75 -6.458 2.438 7.189 527 HG23 THR 75 HG23 THR 75 -6.703 2.307 5.448 528 H SER 76 HN SER 76 -4.198 2.012 9.387 529 HA SER 76 HA SER 76 -2.434 3.300 9.980 530 HB2 SER 76 HB2 SER 76 -1.076 1.261 9.367 531 HB3 SER 76 HB1 SER 76 -0.839 1.980 7.775 532 HG SER 76 HG SER 76 0.635 2.369 9.856 533 H ALA 77 HN ALA 77 -2.850 2.993 6.476 534 HA ALA 77 HA ALA 77 -2.070 5.703 5.925 535 HB1 ALA 77 HB1 ALA 77 -3.684 3.832 4.206 536 HB2 ALA 77 HB2 ALA 77 -1.921 3.859 4.270 537 HB3 ALA 77 HB3 ALA 77 -2.805 5.278 3.685 538 HA PRO 78 HA PRO 78 -5.688 7.598 7.572 539 HB2 PRO 78 HB2 PRO 78 -4.922 9.593 5.497 540 HB3 PRO 78 HB1 PRO 78 -5.349 9.866 7.187 541 HG2 PRO 78 HG2 PRO 78 -2.828 9.956 6.462 542 HG3 PRO 78 HG1 PRO 78 -3.275 9.063 7.922 543 HD2 PRO 78 HD2 PRO 78 -2.590 8.017 5.218 544 HD3 PRO 78 HD1 PRO 78 -2.144 7.385 6.816 545 H GLY 79 HN GLY 79 -7.433 6.450 6.908 546 HA2 GLY 79 HA2 GLY 79 -9.478 6.270 5.869 547 HA3 GLY 79 HA1 GLY 79 -9.004 7.567 4.795 548 H SER 80 HN SER 80 -6.539 5.553 4.290 549 HA SER 80 HA SER 80 -7.707 4.849 1.725 550 HB2 SER 80 HB2 SER 80 -5.348 5.804 2.176 551 HB3 SER 80 HB1 SER 80 -4.907 4.145 2.563 552 HG SER 80 HG SER 80 -6.292 4.717 0.178 553 H ALA 81 HN ALA 81 -6.698 2.765 0.791 554 HA ALA 81 HA ALA 81 -7.493 0.548 2.536 555 HB1 ALA 81 HB1 ALA 81 -8.976 1.045 0.594 556 HB2 ALA 81 HB2 ALA 81 -8.288 -0.583 0.561 557 HB3 ALA 81 HB3 ALA 81 -7.621 0.683 -0.475 558 H HIS 82 HN HIS 82 -4.825 1.714 2.346 559 HA HIS 82 HA HIS 82 -3.458 -0.709 1.451 560 HB2 HIS 82 HB2 HIS 82 -2.621 2.127 0.928 561 HB3 HIS 82 HB1 HIS 82 -1.503 0.793 0.856 562 HD1 HIS 82 HD1 HIS 82 -1.972 -1.000 -1.054 563 HD2 HIS 82 HD2 HIS 82 -4.183 2.513 -1.292 564 HE1 HIS 82 HE1 HIS 82 -2.881 -0.931 -3.394 565 HE2 HIS 82 HE2 HIS 82 -4.330 1.125 -3.470 566 H GLN 83 HN GLN 83 -2.280 -1.637 2.937 567 HA GLN 83 HA GLN 83 -0.954 -0.042 4.999 568 HB2 GLN 83 HB2 GLN 83 -3.048 -0.874 6.015 569 HB3 GLN 83 HB1 GLN 83 -2.631 -2.511 5.540 570 HG2 GLN 83 HG2 GLN 83 -0.718 -1.028 7.262 571 HG3 GLN 83 HG1 GLN 83 -2.217 -1.606 7.985 572 HE21 GLN 83 HE21 GLN 83 0.538 -2.417 8.492 573 HE22 GLN 83 HE22 GLN 83 0.594 -4.121 8.198 574 H ILE 84 HN ILE 84 1.150 -0.596 4.936 575 HA ILE 84 HA ILE 84 1.840 -2.948 3.410 576 HB ILE 84 HB ILE 84 3.147 -0.395 4.152 577 HG12 ILE 84 HG12 ILE 84 3.509 -1.663 1.553 578 HG13 ILE 84 HG11 ILE 84 1.826 -1.429 1.992 579 HG21 ILE 84 HG21 ILE 84 4.838 -2.013 4.812 580 HG22 ILE 84 HG22 ILE 84 5.317 -1.197 3.324 581 HG23 ILE 84 HG23 ILE 84 4.679 -2.839 3.262 582 HD11 ILE 84 HD11 ILE 84 2.418 0.979 2.430 583 HD12 ILE 84 HD12 ILE 84 2.514 0.463 0.747 584 HD13 ILE 84 HD13 ILE 84 3.987 0.640 1.698 585 H ASP 85 HN ASP 85 2.799 -4.703 4.193 586 HA ASP 85 HA ASP 85 3.045 -5.054 7.053 587 HB2 ASP 85 HB2 ASP 85 2.176 -6.881 5.562 588 HB3 ASP 85 HB1 ASP 85 3.760 -6.965 4.812 589 H THR 86 HN THR 86 4.807 -4.393 8.065 590 HA THR 86 HA THR 86 7.224 -3.937 6.551 591 HB THR 86 HB THR 86 7.993 -2.929 8.730 592 HG1 THR 86 HG1 THR 86 6.783 -3.416 10.407 593 HG21 THR 86 HG21 THR 86 6.512 -0.976 8.457 594 HG22 THR 86 HG22 THR 86 5.419 -1.966 7.484 595 HG23 THR 86 HG23 THR 86 7.050 -1.620 6.902 596 H THR 87 HN THR 87 5.947 -6.306 8.645 597 HA THR 87 HA THR 87 8.250 -7.435 9.741 598 HB THR 87 HB THR 87 5.694 -8.780 8.841 599 HG1 THR 87 HG1 THR 87 6.489 -7.921 11.445 600 HG21 THR 87 HG21 THR 87 7.479 -10.406 9.124 601 HG22 THR 87 HG22 THR 87 6.298 -10.553 10.426 602 HG23 THR 87 HG23 THR 87 7.842 -9.755 10.720 603 H ASN 88 HN ASN 88 6.500 -8.373 6.779 604 HA ASN 88 HA ASN 88 8.870 -9.849 5.874 605 HB2 ASN 88 HB2 ASN 88 6.041 -9.753 4.813 606 HB3 ASN 88 HB1 ASN 88 7.335 -10.712 4.102 607 HD21 ASN 88 HD21 ASN 88 5.151 -10.363 6.773 608 HD22 ASN 88 HD22 ASN 88 5.401 -11.942 7.441 609 H HIS 89 HN HIS 89 7.237 -6.936 5.460 610 HA HIS 89 HA HIS 89 7.718 -5.062 4.296 611 HB2 HIS 89 HB2 HIS 89 10.039 -6.712 3.310 612 HB3 HIS 89 HB1 HIS 89 9.718 -5.085 2.720 613 HD1 HIS 89 HD1 HIS 89 11.772 -6.680 5.081 614 HD2 HIS 89 HD2 HIS 89 9.365 -3.295 5.185 615 HE1 HIS 89 HE1 HIS 89 12.649 -5.287 6.979 616 HE2 HIS 89 HE2 HIS 89 11.041 -3.353 7.152 617 H LYS 90 HN LYS 90 5.670 -6.279 3.586 618 HA LYS 90 HA LYS 90 5.686 -6.628 0.664 619 HB2 LYS 90 HB2 LYS 90 4.191 -7.830 2.912 620 HB3 LYS 90 HB1 LYS 90 3.297 -7.608 1.426 621 HG2 LYS 90 HG2 LYS 90 4.969 -8.952 0.237 622 HG3 LYS 90 HG1 LYS 90 5.876 -9.146 1.740 623 HD2 LYS 90 HD2 LYS 90 3.088 -10.143 1.154 624 HD3 LYS 90 HD1 LYS 90 4.545 -11.119 1.365 625 HE2 LYS 90 HE2 LYS 90 4.727 -10.333 3.677 626 HE3 LYS 90 HE1 LYS 90 3.267 -9.376 3.471 627 HZ1 LYS 90 HZ1 LYS 90 2.684 -11.396 4.551 628 HZ2 LYS 90 HZ2 LYS 90 3.497 -12.334 3.405 629 HZ3 LYS 90 HZ3 LYS 90 2.093 -11.498 2.966 630 H LEU 91 HN LEU 91 4.115 -5.586 -0.546 631 HA LEU 91 HA LEU 91 2.910 -3.214 0.667 632 HB2 LEU 91 HB2 LEU 91 4.069 -3.283 -1.643 633 HB3 LEU 91 HB1 LEU 91 2.677 -4.144 -2.162 634 HG LEU 91 HG LEU 91 2.060 -2.117 -2.886 635 HD11 LEU 91 HD11 LEU 91 0.622 -0.888 -1.280 636 HD12 LEU 91 HD12 LEU 91 1.212 -1.953 0.007 637 HD13 LEU 91 HD13 LEU 91 0.293 -2.619 -1.350 638 HD21 LEU 91 HD21 LEU 91 3.507 -0.848 -0.599 639 HD22 LEU 91 HD22 LEU 91 2.753 -0.019 -1.960 640 HD23 LEU 91 HD23 LEU 91 4.130 -1.085 -2.231 641 H ILE 92 HN ILE 92 1.187 -3.864 1.834 642 HA ILE 92 HA ILE 92 -0.732 -5.697 0.639 643 HB ILE 92 HB ILE 92 -0.128 -4.777 3.412 644 HG12 ILE 92 HG12 ILE 92 -0.475 -7.353 3.723 645 HG13 ILE 92 HG11 ILE 92 -0.334 -7.390 1.968 646 HG21 ILE 92 HG21 ILE 92 -2.534 -4.455 3.257 647 HG22 ILE 92 HG22 ILE 92 -2.173 -5.856 4.266 648 HG23 ILE 92 HG23 ILE 92 -2.733 -6.085 2.613 649 HD11 ILE 92 HD11 ILE 92 1.838 -6.383 2.088 650 HD12 ILE 92 HD12 ILE 92 1.774 -7.844 3.077 651 HD13 ILE 92 HD13 ILE 92 1.700 -6.257 3.838 652 H SER 93 HN SER 93 -2.780 -5.105 0.214 653 HA SER 93 HA SER 93 -3.551 -2.363 0.869 654 HB2 SER 93 HB2 SER 93 -4.958 -4.141 -1.111 655 HB3 SER 93 HB1 SER 93 -5.032 -2.387 -0.969 656 HG SER 93 HG SER 93 -2.675 -3.831 -1.643 657 H THR 94 HN THR 94 -5.460 -2.076 2.064 658 HA THR 94 HA THR 94 -6.518 -4.573 3.181 659 HB THR 94 HB THR 94 -5.685 -2.064 4.598 660 HG1 THR 94 HG1 THR 94 -4.411 -4.154 4.278 661 HG21 THR 94 HG21 THR 94 -7.575 -4.187 5.638 662 HG22 THR 94 HG22 THR 94 -7.949 -2.485 5.380 663 HG23 THR 94 HG23 THR 94 -6.800 -2.953 6.635 664 H PHE 95 HN PHE 95 -8.501 -4.833 2.604 665 HA PHE 95 HA PHE 95 -10.326 -2.527 2.641 666 HB2 PHE 95 HB2 PHE 95 -10.205 -3.705 0.469 667 HB3 PHE 95 HB1 PHE 95 -10.696 -5.175 1.294 668 HD1 PHE 95 HD1 PHE 95 -12.974 -5.613 1.841 669 HD2 PHE 95 HD2 PHE 95 -11.807 -1.792 0.334 670 HE1 PHE 95 HE1 PHE 95 -15.338 -4.993 1.563 671 HE2 PHE 95 HE2 PHE 95 -14.171 -1.180 0.062 672 HZ PHE 95 HZ PHE 95 -15.938 -2.779 0.677 673 H THR 96 HN THR 96 -11.475 -2.494 4.471 674 HA THR 96 HA THR 96 -11.833 -4.933 5.958 675 HB THR 96 HB THR 96 -13.129 -3.431 7.540 676 HG1 THR 96 HG1 THR 96 -11.948 -1.402 5.911 677 HG21 THR 96 HG21 THR 96 -10.334 -2.507 6.967 678 HG22 THR 96 HG22 THR 96 -10.702 -4.118 7.625 679 HG23 THR 96 HG23 THR 96 -11.147 -2.666 8.532 680 HA PRO 97 HA PRO 97 -15.733 -5.704 3.836 681 HB2 PRO 97 HB2 PRO 97 -16.069 -8.016 5.349 682 HB3 PRO 97 HB1 PRO 97 -15.373 -7.936 3.731 683 HG2 PRO 97 HG2 PRO 97 -14.056 -8.247 6.346 684 HG3 PRO 97 HG1 PRO 97 -13.518 -8.750 4.736 685 HD2 PRO 97 HD2 PRO 97 -12.497 -6.619 6.105 686 HD3 PRO 97 HD1 PRO 97 -12.457 -6.792 4.345 687 H SER 98 HN SER 98 -17.922 -5.988 4.694 688 HA SER 98 HA SER 98 -18.476 -4.222 6.781 689 HB2 SER 98 HB2 SER 98 -20.286 -6.383 5.702 690 HB3 SER 98 HB1 SER 98 -20.783 -4.914 6.538 691 HG SER 98 HG SER 98 -20.980 -4.662 4.295 692 H ASN 99 HN ASN 99 -17.714 -7.564 6.828 693 HA ASN 99 HA ASN 99 -18.844 -8.159 9.390 694 HB2 ASN 99 HB2 ASN 99 -17.029 -9.531 7.478 695 HB3 ASN 99 HB1 ASN 99 -17.070 -10.092 9.140 696 HD21 ASN 99 HD21 ASN 99 -18.990 -10.995 9.946 697 HD22 ASN 99 HD22 ASN 99 -20.227 -11.575 8.887 698 H GLY 100 HN GLY 100 -15.974 -6.618 8.336 699 HA2 GLY 100 HA2 GLY 100 -14.315 -5.606 9.602 700 HA3 GLY 100 HA1 GLY 100 -15.060 -6.273 11.049 701 H GLY 101 HN GLY 101 -14.507 -8.419 8.518 702 HA2 GLY 101 HA2 GLY 101 -12.623 -9.909 10.157 703 HA3 GLY 101 HA1 GLY 101 -13.461 -10.500 8.729 704 H GLN 102 HN GLN 102 -11.292 -11.354 8.241 705 HA GLN 102 HA GLN 102 -9.034 -9.886 7.725 706 HB2 GLN 102 HB2 GLN 102 -10.141 -12.292 6.297 707 HB3 GLN 102 HB1 GLN 102 -8.589 -11.581 5.875 708 HG2 GLN 102 HG2 GLN 102 -7.800 -11.949 8.154 709 HG3 GLN 102 HG1 GLN 102 -9.349 -12.684 8.568 710 HE21 GLN 102 HE21 GLN 102 -9.843 -14.731 7.797 711 HE22 GLN 102 HE22 GLN 102 -8.651 -15.767 7.091 712 H ALA 103 HN ALA 103 -8.474 -8.397 6.405 713 HA ALA 103 HA ALA 103 -10.398 -7.229 4.590 714 HB1 ALA 103 HB1 ALA 103 -7.567 -6.458 5.274 715 HB2 ALA 103 HB2 ALA 103 -9.052 -5.797 5.974 716 HB3 ALA 103 HB3 ALA 103 -8.678 -5.519 4.269 717 H THR 104 HN THR 104 -10.019 -6.690 2.539 718 HA THR 104 HA THR 104 -8.970 -8.802 0.918 719 HB THR 104 HB THR 104 -10.930 -6.776 0.735 720 HG1 THR 104 HG1 THR 104 -10.165 -9.072 -0.668 721 HG21 THR 104 HG21 THR 104 -10.523 -5.969 -1.540 722 HG22 THR 104 HG22 THR 104 -8.911 -6.683 -1.488 723 HG23 THR 104 HG23 THR 104 -9.335 -5.371 -0.390 724 H VAL 105 HN VAL 105 -7.172 -8.663 -0.448 725 HA VAL 105 HA VAL 105 -5.421 -6.384 0.146 726 HB VAL 105 HB VAL 105 -4.630 -9.286 0.342 727 HG11 VAL 105 HG11 VAL 105 -3.056 -6.779 0.875 728 HG12 VAL 105 HG12 VAL 105 -2.781 -7.941 -0.420 729 HG13 VAL 105 HG13 VAL 105 -2.516 -8.411 1.260 730 HG21 VAL 105 HG21 VAL 105 -6.030 -8.645 2.223 731 HG22 VAL 105 HG22 VAL 105 -5.038 -7.212 2.498 732 HG23 VAL 105 HG23 VAL 105 -4.352 -8.818 2.754 733 H LEU 106 HN LEU 106 -4.105 -5.737 -1.368 734 HA LEU 106 HA LEU 106 -3.549 -7.403 -3.716 735 HB2 LEU 106 HB2 LEU 106 -4.207 -4.534 -3.437 736 HB3 LEU 106 HB1 LEU 106 -2.838 -4.877 -4.477 737 HG LEU 106 HG LEU 106 -4.796 -4.672 -5.835 738 HD11 LEU 106 HD11 LEU 106 -4.824 -6.818 -6.959 739 HD12 LEU 106 HD12 LEU 106 -4.100 -7.593 -5.550 740 HD13 LEU 106 HD13 LEU 106 -3.180 -6.401 -6.471 741 HD21 LEU 106 HD21 LEU 106 -6.512 -5.089 -4.170 742 HD22 LEU 106 HD22 LEU 106 -6.011 -6.773 -4.020 743 HD23 LEU 106 HD23 LEU 106 -6.739 -6.197 -5.523 744 H THR 107 HN THR 107 -1.550 -8.255 -3.406 745 HA THR 107 HA THR 107 0.218 -6.820 -1.549 746 HB THR 107 HB THR 107 0.448 -9.736 -2.249 747 HG1 THR 107 HG1 THR 107 -1.386 -9.972 -1.224 748 HG21 THR 107 HG21 THR 107 1.548 -9.864 -0.058 749 HG22 THR 107 HG22 THR 107 1.314 -8.131 0.170 750 HG23 THR 107 HG23 THR 107 2.373 -8.718 -1.113 751 H TYR 108 HN TYR 108 2.384 -6.625 -1.889 752 HA TYR 108 HA TYR 108 3.577 -7.665 -4.349 753 HB2 TYR 108 HB2 TYR 108 3.302 -5.447 -5.046 754 HB3 TYR 108 HB1 TYR 108 3.522 -4.820 -3.441 755 HD1 TYR 108 HD1 TYR 108 5.476 -3.877 -2.824 756 HD2 TYR 108 HD2 TYR 108 5.454 -6.528 -6.142 757 HE1 TYR 108 HE1 TYR 108 7.789 -3.299 -3.273 758 HE2 TYR 108 HE2 TYR 108 7.808 -5.973 -6.605 759 HH TYR 108 HH TYR 108 9.384 -4.128 -6.165 760 H ASP 109 HN ASP 109 5.676 -8.351 -4.071 761 HA ASP 109 HA ASP 109 6.583 -8.438 -1.310 762 HB2 ASP 109 HB2 ASP 109 7.851 -10.424 -2.096 763 HB3 ASP 109 HB1 ASP 109 6.118 -10.605 -2.231 764 H TRP 110 HN TRP 110 7.898 -6.695 -1.047 765 HA TRP 110 HA TRP 110 9.863 -5.950 -2.996 766 HB2 TRP 110 HB2 TRP 110 9.110 -4.178 -1.624 767 HB3 TRP 110 HB1 TRP 110 9.355 -5.096 -0.149 768 HD1 TRP 110 HD1 TRP 110 11.319 -3.160 -2.815 769 HE1 TRP 110 HE1 TRP 110 13.609 -2.501 -1.831 770 HE3 TRP 110 HE3 TRP 110 11.076 -5.718 1.592 771 HZ2 TRP 110 HZ2 TRP 110 15.109 -3.015 0.508 772 HZ3 TRP 110 HZ3 TRP 110 12.971 -5.584 3.152 773 HH2 TRP 110 HH2 TRP 110 14.952 -4.260 2.626 774 H SER 111 HN SER 111 9.974 -7.489 0.188 775 HA SER 111 HA SER 111 12.771 -8.081 -0.029 776 HB2 SER 111 HB2 SER 111 11.577 -7.600 2.135 777 HB3 SER 111 HB1 SER 111 10.795 -9.165 1.977 778 HG SER 111 HG SER 111 12.561 -10.104 2.624 779 H ALA 112 HN ALA 112 9.796 -9.705 -0.695 780 HA ALA 112 HA ALA 112 9.295 -11.733 -1.594 781 HB1 ALA 112 HB1 ALA 112 10.745 -12.311 -3.482 782 HB2 ALA 112 HB2 ALA 112 11.921 -11.126 -2.905 783 HB3 ALA 112 HB3 ALA 112 10.324 -10.600 -3.432 784 H ASN 113 HN ASN 113 9.628 -12.689 0.561 785 HA ASN 113 HA ASN 113 12.097 -14.240 0.818 786 HB2 ASN 113 HB2 ASN 113 11.400 -14.612 3.174 787 HB3 ASN 113 HB1 ASN 113 11.602 -12.917 2.769 788 HD21 ASN 113 HD21 ASN 113 10.326 -12.290 4.493 789 HD22 ASN 113 HD22 ASN 113 8.606 -12.487 4.496 790 H GLY 114 HN GLY 114 9.852 -14.898 -0.971 791 HA2 GLY 114 HA2 GLY 114 10.001 -17.546 -1.093 792 HA3 GLY 114 HA1 GLY 114 8.805 -17.348 0.177 793 H VAL 115 HN VAL 115 6.945 -15.909 -0.380 794 HA VAL 115 HA VAL 115 6.266 -15.945 -3.217 795 HB VAL 115 HB VAL 115 5.473 -18.105 -2.284 796 HG11 VAL 115 HG11 VAL 115 5.084 -17.397 0.010 797 HG12 VAL 115 HG12 VAL 115 3.648 -18.156 -0.674 798 HG13 VAL 115 HG13 VAL 115 3.728 -16.402 -0.519 799 HG21 VAL 115 HG21 VAL 115 3.113 -17.912 -3.034 800 HG22 VAL 115 HG22 VAL 115 4.272 -17.199 -4.155 801 HG23 VAL 115 HG23 VAL 115 3.318 -16.159 -3.098 802 H ASN 116 HN ASN 116 4.379 -14.629 -3.682 803 HA ASN 116 HA ASN 116 4.322 -12.286 -1.986 804 HB2 ASN 116 HB2 ASN 116 4.532 -12.196 -4.486 805 HB3 ASN 116 HB1 ASN 116 2.883 -12.789 -4.594 806 HD21 ASN 116 HD21 ASN 116 2.144 -10.966 -5.638 807 HD22 ASN 116 HD22 ASN 116 1.959 -9.443 -4.836 808 H SER 117 HN SER 117 3.179 -14.438 -0.708 809 HA SER 117 HA SER 117 1.338 -15.146 0.421 810 HB2 SER 117 HB2 SER 117 0.440 -12.295 -0.030 811 HB3 SER 117 HB1 SER 117 -0.134 -13.385 1.234 812 HG SER 117 HG SER 117 2.565 -13.242 1.241 813 H ASN 118 HN ASN 118 1.207 -15.912 -2.200 814 HA ASN 118 HA ASN 118 -1.678 -15.934 -2.645 815 HB2 ASN 118 HB2 ASN 118 0.376 -14.965 -4.586 816 HB3 ASN 118 HB1 ASN 118 -0.987 -15.886 -5.208 817 HD21 ASN 118 HD21 ASN 118 0.014 -12.940 -3.652 818 HD22 ASN 118 HD22 ASN 118 -1.466 -12.081 -3.902 Start of MODEL 5 1 H1 HIS 6 HT1 HIS 6 -20.103 -7.608 -5.253 2 H2 HIS 6 HT2 HIS 6 -19.224 -8.476 -6.406 3 H3 HIS 6 HT3 HIS 6 -20.887 -8.235 -6.612 4 HA HIS 6 HA HIS 6 -19.710 -6.772 -8.063 5 HB2 HIS 6 HB2 HIS 6 -21.033 -5.465 -5.691 6 HB3 HIS 6 HB1 HIS 6 -20.482 -4.538 -7.081 7 HD1 HIS 6 HD1 HIS 6 -23.382 -6.243 -5.819 8 HD2 HIS 6 HD2 HIS 6 -21.758 -5.550 -9.583 9 HE1 HIS 6 HE1 HIS 6 -25.258 -6.623 -7.445 10 HE2 HIS 6 HE2 HIS 6 -24.209 -6.362 -9.719 11 H GLN 7 HN GLN 7 -19.026 -5.677 -4.727 12 HA GLN 7 HA GLN 7 -16.823 -4.111 -5.417 13 HB2 GLN 7 HB2 GLN 7 -17.846 -3.801 -3.287 14 HB3 GLN 7 HB1 GLN 7 -17.503 -5.460 -2.835 15 HG2 GLN 7 HG2 GLN 7 -15.903 -4.211 -1.700 16 HG3 GLN 7 HG1 GLN 7 -15.055 -4.873 -3.098 17 HE21 GLN 7 HE21 GLN 7 -17.304 -2.166 -3.123 18 HE22 GLN 7 HE22 GLN 7 -16.139 -0.969 -3.557 19 H ASP 8 HN ASP 8 -17.087 -7.533 -4.930 20 HA ASP 8 HA ASP 8 -14.414 -8.082 -4.323 21 HB2 ASP 8 HB2 ASP 8 -14.903 -10.369 -5.114 22 HB3 ASP 8 HB1 ASP 8 -16.143 -9.743 -4.031 23 H ASN 9 HN ASN 9 -15.951 -7.294 -7.328 24 HA ASN 9 HA ASN 9 -13.553 -7.861 -8.859 25 HB2 ASN 9 HB2 ASN 9 -16.204 -6.602 -9.522 26 HB3 ASN 9 HB1 ASN 9 -14.854 -6.557 -10.649 27 HD21 ASN 9 HD21 ASN 9 -17.470 -7.847 -10.858 28 HD22 ASN 9 HD22 ASN 9 -17.146 -9.519 -11.160 29 H ALA 10 HN ALA 10 -15.259 -5.192 -7.437 30 HA ALA 10 HA ALA 10 -13.833 -3.063 -8.601 31 HB1 ALA 10 HB1 ALA 10 -14.680 -1.743 -6.700 32 HB2 ALA 10 HB2 ALA 10 -15.290 -3.235 -5.968 33 HB3 ALA 10 HB3 ALA 10 -15.942 -2.675 -7.514 34 H ARG 11 HN ARG 11 -13.525 -4.553 -5.390 35 HA ARG 11 HA ARG 11 -11.490 -3.019 -4.359 36 HB2 ARG 11 HB2 ARG 11 -10.878 -5.026 -2.985 37 HB3 ARG 11 HB1 ARG 11 -12.588 -4.618 -2.952 38 HG2 ARG 11 HG2 ARG 11 -12.770 -6.859 -3.222 39 HG3 ARG 11 HG1 ARG 11 -12.691 -6.375 -4.912 40 HD2 ARG 11 HD2 ARG 11 -10.273 -6.855 -4.910 41 HD3 ARG 11 HD1 ARG 11 -10.407 -7.418 -3.252 42 HE ARG 11 HE ARG 11 -11.942 -8.695 -5.413 43 HH11 ARG 11 HH11 ARG 11 -9.654 -8.897 -2.761 44 HH12 ARG 11 HH12 ARG 11 -9.566 -10.624 -2.800 45 HH21 ARG 11 HH21 ARG 11 -11.820 -10.970 -5.461 46 HH22 ARG 11 HH22 ARG 11 -10.801 -11.805 -4.330 47 H LYS 12 HN LYS 12 -11.302 -5.787 -6.444 48 HA LYS 12 HA LYS 12 -8.537 -6.131 -6.348 49 HB2 LYS 12 HB2 LYS 12 -10.335 -7.736 -7.204 50 HB3 LYS 12 HB1 LYS 12 -10.293 -6.815 -8.704 51 HG2 LYS 12 HG2 LYS 12 -8.913 -8.667 -9.029 52 HG3 LYS 12 HG1 LYS 12 -7.816 -7.319 -8.741 53 HD2 LYS 12 HD2 LYS 12 -7.802 -8.025 -6.314 54 HD3 LYS 12 HD1 LYS 12 -8.619 -9.501 -6.835 55 HE2 LYS 12 HE2 LYS 12 -6.764 -9.963 -8.366 56 HE3 LYS 12 HE1 LYS 12 -5.966 -8.499 -7.797 57 HZ1 LYS 12 HZ1 LYS 12 -5.869 -9.458 -5.581 58 HZ2 LYS 12 HZ2 LYS 12 -5.093 -10.459 -6.699 59 HZ3 LYS 12 HZ3 LYS 12 -6.634 -10.861 -6.132 60 H SER 13 HN SER 13 -10.648 -4.237 -8.432 61 HA SER 13 HA SER 13 -8.429 -3.535 -10.184 62 HB2 SER 13 HB2 SER 13 -11.375 -2.810 -10.196 63 HB3 SER 13 HB1 SER 13 -10.224 -2.352 -11.462 64 HG SER 13 HG SER 13 -11.343 -4.835 -10.857 65 H ARG 14 HN ARG 14 -10.655 -1.918 -7.952 66 HA ARG 14 HA ARG 14 -9.808 0.711 -8.388 67 HB2 ARG 14 HB2 ARG 14 -10.917 1.259 -6.302 68 HB3 ARG 14 HB1 ARG 14 -11.899 0.095 -7.185 69 HG2 ARG 14 HG2 ARG 14 -11.248 -1.672 -5.759 70 HG3 ARG 14 HG1 ARG 14 -9.964 -0.695 -5.047 71 HD2 ARG 14 HD2 ARG 14 -11.743 -0.805 -3.472 72 HD3 ARG 14 HD1 ARG 14 -11.726 0.817 -4.148 73 HE ARG 14 HE ARG 14 -13.677 -1.276 -4.816 74 HH11 ARG 14 HH11 ARG 14 -12.738 2.098 -4.687 75 HH12 ARG 14 HH12 ARG 14 -14.297 2.680 -5.169 76 HH21 ARG 14 HH21 ARG 14 -15.744 -0.497 -5.450 77 HH22 ARG 14 HH22 ARG 14 -16.006 1.212 -5.585 78 H ILE 15 HN ILE 15 -8.596 -1.799 -6.251 79 HA ILE 15 HA ILE 15 -6.788 -0.019 -4.902 80 HB ILE 15 HB ILE 15 -6.835 -3.035 -5.044 81 HG12 ILE 15 HG12 ILE 15 -7.760 -1.241 -2.782 82 HG13 ILE 15 HG11 ILE 15 -8.853 -1.900 -3.997 83 HG21 ILE 15 HG21 ILE 15 -5.383 -2.942 -3.089 84 HG22 ILE 15 HG22 ILE 15 -5.400 -1.174 -3.150 85 HG23 ILE 15 HG23 ILE 15 -4.646 -2.097 -4.454 86 HD11 ILE 15 HD11 ILE 15 -8.752 -3.162 -1.851 87 HD12 ILE 15 HD12 ILE 15 -7.088 -3.597 -2.268 88 HD13 ILE 15 HD13 ILE 15 -8.427 -4.119 -3.312 89 H GLN 16 HN GLN 16 -6.685 -2.493 -7.382 90 HA GLN 16 HA GLN 16 -3.992 -2.832 -7.688 91 HB2 GLN 16 HB2 GLN 16 -6.373 -3.518 -9.033 92 HB3 GLN 16 HB1 GLN 16 -5.190 -3.027 -10.233 93 HG2 GLN 16 HG2 GLN 16 -3.577 -4.588 -9.139 94 HG3 GLN 16 HG1 GLN 16 -4.918 -5.132 -8.122 95 HE21 GLN 16 HE21 GLN 16 -6.604 -6.275 -9.063 96 HE22 GLN 16 HE22 GLN 16 -6.432 -7.090 -10.579 97 H SER 17 HN SER 17 -6.046 -0.409 -9.304 98 HA SER 17 HA SER 17 -4.131 0.543 -11.103 99 HB2 SER 17 HB2 SER 17 -6.240 2.227 -9.735 100 HB3 SER 17 HB1 SER 17 -5.520 2.500 -11.323 101 HG SER 17 HG SER 17 -6.509 0.072 -11.381 102 H GLU 18 HN GLU 18 -4.791 1.360 -7.772 103 HA GLU 18 HA GLU 18 -2.722 3.372 -7.628 104 HB2 GLU 18 HB2 GLU 18 -4.226 2.056 -5.375 105 HB3 GLU 18 HB1 GLU 18 -3.427 3.616 -5.380 106 HG2 GLU 18 HG2 GLU 18 -5.906 2.858 -6.867 107 HG3 GLU 18 HG1 GLU 18 -5.773 3.954 -5.507 108 H HIS 19 HN HIS 19 -3.254 0.046 -6.578 109 HA HIS 19 HA HIS 19 -1.241 -0.348 -4.765 110 HB2 HIS 19 HB2 HIS 19 -2.761 -2.106 -4.982 111 HB3 HIS 19 HB1 HIS 19 -2.596 -2.201 -6.719 112 HD1 HIS 19 HD1 HIS 19 -0.333 -2.831 -3.700 113 HD2 HIS 19 HD2 HIS 19 -1.234 -4.379 -7.448 114 HE1 HIS 19 HE1 HIS 19 1.061 -4.910 -3.923 115 HE2 HIS 19 HE2 HIS 19 0.395 -5.905 -6.142 116 H ARG 20 HN ARG 20 -0.951 -0.835 -8.299 117 HA ARG 20 HA ARG 20 1.739 -1.570 -8.337 118 HB2 ARG 20 HB2 ARG 20 0.299 0.137 -10.379 119 HB3 ARG 20 HB1 ARG 20 1.782 -0.765 -10.649 120 HG2 ARG 20 HG2 ARG 20 0.320 -2.815 -9.947 121 HG3 ARG 20 HG1 ARG 20 -1.018 -1.747 -10.384 122 HD2 ARG 20 HD2 ARG 20 -0.123 -1.449 -12.597 123 HD3 ARG 20 HD1 ARG 20 1.321 -2.366 -12.179 124 HE ARG 20 HE ARG 20 -1.071 -3.885 -11.818 125 HH11 ARG 20 HH11 ARG 20 1.193 -2.751 -14.225 126 HH12 ARG 20 HH12 ARG 20 0.922 -4.085 -15.299 127 HH21 ARG 20 HH21 ARG 20 -1.449 -5.646 -13.247 128 HH22 ARG 20 HH22 ARG 20 -0.584 -5.720 -14.750 129 H GLU 21 HN GLU 21 0.310 1.687 -8.471 130 HA GLU 21 HA GLU 21 2.672 3.160 -8.608 131 HB2 GLU 21 HB2 GLU 21 0.137 3.905 -7.146 132 HB3 GLU 21 HB1 GLU 21 1.384 5.011 -7.688 133 HG2 GLU 21 HG2 GLU 21 -0.280 3.319 -9.508 134 HG3 GLU 21 HG1 GLU 21 -0.649 4.988 -9.082 135 H LEU 22 HN LEU 22 0.857 2.035 -5.735 136 HA LEU 22 HA LEU 22 2.422 3.345 -3.822 137 HB2 LEU 22 HB2 LEU 22 0.724 0.880 -3.640 138 HB3 LEU 22 HB1 LEU 22 1.703 1.392 -2.284 139 HG LEU 22 HG LEU 22 -0.369 2.279 -1.778 140 HD11 LEU 22 HD11 LEU 22 1.044 4.468 -3.302 141 HD12 LEU 22 HD12 LEU 22 1.388 3.972 -1.648 142 HD13 LEU 22 HD13 LEU 22 -0.172 4.690 -2.051 143 HD21 LEU 22 HD21 LEU 22 -0.729 3.403 -4.530 144 HD22 LEU 22 HD22 LEU 22 -1.926 3.137 -3.258 145 HD23 LEU 22 HD23 LEU 22 -1.233 1.764 -4.114 146 H VAL 23 HN VAL 23 2.884 0.178 -5.336 147 HA VAL 23 HA VAL 23 5.123 -0.349 -3.621 148 HB VAL 23 HB VAL 23 4.770 -2.426 -4.140 149 HG11 VAL 23 HG11 VAL 23 2.446 -1.671 -4.653 150 HG12 VAL 23 HG12 VAL 23 2.932 -3.170 -5.449 151 HG13 VAL 23 HG13 VAL 23 2.897 -1.658 -6.358 152 HG21 VAL 23 HG21 VAL 23 6.498 -2.164 -5.786 153 HG22 VAL 23 HG22 VAL 23 5.287 -1.686 -6.994 154 HG23 VAL 23 HG23 VAL 23 5.284 -3.325 -6.339 155 H SER 24 HN SER 24 4.617 0.801 -6.904 156 HA SER 24 HA SER 24 7.296 0.982 -7.700 157 HB2 SER 24 HB2 SER 24 5.191 1.537 -9.061 158 HB3 SER 24 HB1 SER 24 5.211 3.103 -8.244 159 HG SER 24 HG SER 24 7.532 2.157 -9.530 160 H ALA 25 HN ALA 25 5.401 2.715 -5.422 161 HA ALA 25 HA ALA 25 7.331 4.854 -5.027 162 HB1 ALA 25 HB1 ALA 25 4.974 4.182 -3.280 163 HB2 ALA 25 HB2 ALA 25 4.793 5.081 -4.791 164 HB3 ALA 25 HB3 ALA 25 5.779 5.743 -3.473 165 H ILE 26 HN ILE 26 6.360 1.797 -3.491 166 HA ILE 26 HA ILE 26 7.871 2.080 -1.167 167 HB ILE 26 HB ILE 26 6.539 -0.139 -2.539 168 HG12 ILE 26 HG12 ILE 26 7.136 0.622 0.307 169 HG13 ILE 26 HG11 ILE 26 5.609 0.775 -0.559 170 HG21 ILE 26 HG21 ILE 26 8.797 -1.070 -2.637 171 HG22 ILE 26 HG22 ILE 26 7.787 -1.946 -1.481 172 HG23 ILE 26 HG23 ILE 26 8.980 -0.783 -0.906 173 HD11 ILE 26 HD11 ILE 26 5.339 -1.581 -0.622 174 HD12 ILE 26 HD12 ILE 26 5.679 -1.097 1.051 175 HD13 ILE 26 HD13 ILE 26 6.943 -1.836 0.061 176 H GLN 27 HN GLN 27 8.685 0.695 -4.311 177 HA GLN 27 HA GLN 27 11.300 -0.077 -3.725 178 HB2 GLN 27 HB2 GLN 27 10.096 0.842 -6.349 179 HB3 GLN 27 HB1 GLN 27 11.621 -0.025 -6.187 180 HG2 GLN 27 HG2 GLN 27 10.390 -1.909 -5.189 181 HG3 GLN 27 HG1 GLN 27 8.891 -1.033 -5.437 182 HE21 GLN 27 HE21 GLN 27 11.535 -2.674 -7.002 183 HE22 GLN 27 HE22 GLN 27 10.756 -2.894 -8.529 184 H SER 28 HN SER 28 9.897 2.972 -4.546 185 HA SER 28 HA SER 28 12.329 4.395 -4.973 186 HB2 SER 28 HB2 SER 28 9.481 5.261 -4.448 187 HB3 SER 28 HB1 SER 28 10.770 6.358 -4.901 188 HG SER 28 HG SER 28 9.394 4.494 -6.430 189 H TYR 29 HN TYR 29 9.923 4.370 -2.331 190 HA TYR 29 HA TYR 29 11.221 5.960 -0.460 191 HB2 TYR 29 HB2 TYR 29 8.886 5.125 -0.334 192 HB3 TYR 29 HB1 TYR 29 9.492 3.512 0.002 193 HD1 TYR 29 HD1 TYR 29 7.486 4.782 1.668 194 HD2 TYR 29 HD2 TYR 29 11.731 5.018 1.961 195 HE1 TYR 29 HE1 TYR 29 7.289 5.176 4.090 196 HE2 TYR 29 HE2 TYR 29 11.528 5.418 4.372 197 HH TYR 29 HH TYR 29 8.707 4.899 6.115 198 H ILE 30 HN ILE 30 11.280 2.417 -0.733 199 HA ILE 30 HA ILE 30 12.932 1.953 1.466 200 HB ILE 30 HB ILE 30 12.430 0.284 -0.986 201 HG12 ILE 30 HG12 ILE 30 11.184 0.387 1.762 202 HG13 ILE 30 HG11 ILE 30 10.424 0.799 0.232 203 HG21 ILE 30 HG21 ILE 30 14.456 -0.482 0.025 204 HG22 ILE 30 HG22 ILE 30 13.164 -1.616 0.425 205 HG23 ILE 30 HG23 ILE 30 13.722 -0.454 1.628 206 HD11 ILE 30 HD11 ILE 30 10.640 -1.543 -0.466 207 HD12 ILE 30 HD12 ILE 30 9.632 -1.317 0.970 208 HD13 ILE 30 HD13 ILE 30 11.280 -1.929 1.134 209 H GLY 31 HN GLY 31 13.747 2.400 -1.948 210 HA2 GLY 31 HA2 GLY 31 16.495 1.702 -1.636 211 HA3 GLY 31 HA1 GLY 31 15.798 2.584 -2.994 212 H ALA 32 HN ALA 32 14.693 4.394 -0.720 213 HA ALA 32 HA ALA 32 16.964 6.230 -0.720 214 HB1 ALA 32 HB1 ALA 32 14.674 6.960 -1.425 215 HB2 ALA 32 HB2 ALA 32 15.385 7.919 -0.123 216 HB3 ALA 32 HB3 ALA 32 14.156 6.706 0.244 217 H GLN 33 HN GLN 33 15.254 4.078 1.340 218 HA GLN 33 HA GLN 33 15.449 5.358 3.775 219 HB2 GLN 33 HB2 GLN 33 15.247 2.503 2.974 220 HB3 GLN 33 HB1 GLN 33 15.432 2.963 4.668 221 HG2 GLN 33 HG2 GLN 33 13.407 4.410 3.116 222 HG3 GLN 33 HG1 GLN 33 13.078 2.731 3.477 223 HE21 GLN 33 HE21 GLN 33 13.598 5.899 4.782 224 HE22 GLN 33 HE22 GLN 33 13.016 5.567 6.377 225 H ASP 34 HN ASP 34 16.726 4.893 5.580 226 HA ASP 34 HA ASP 34 19.499 4.931 5.225 227 HB2 ASP 34 HB2 ASP 34 18.158 5.744 7.201 228 HB3 ASP 34 HB1 ASP 34 18.028 4.066 7.693 229 H ASP 35 HN ASP 35 17.217 2.422 5.853 230 HA ASP 35 HA ASP 35 19.205 0.450 4.989 231 HB2 ASP 35 HB2 ASP 35 17.246 -0.228 7.183 232 HB3 ASP 35 HB1 ASP 35 18.561 -1.210 6.573 233 HA PRO 36 HA PRO 36 15.529 -0.183 2.419 234 HB2 PRO 36 HB2 PRO 36 16.827 -1.335 0.395 235 HB3 PRO 36 HB1 PRO 36 17.074 0.378 0.714 236 HG2 PRO 36 HG2 PRO 36 18.704 -1.927 1.741 237 HG3 PRO 36 HG1 PRO 36 19.272 -0.583 0.735 238 HD2 PRO 36 HD2 PRO 36 19.543 -0.413 3.340 239 HD3 PRO 36 HD1 PRO 36 18.905 0.978 2.438 240 H THR 37 HN THR 37 17.472 -2.100 4.216 241 HA THR 37 HA THR 37 16.787 -4.664 3.171 242 HB THR 37 HB THR 37 18.211 -5.516 4.907 243 HG1 THR 37 HG1 THR 37 17.646 -4.480 6.757 244 HG21 THR 37 HG21 THR 37 19.257 -2.804 4.056 245 HG22 THR 37 HG22 THR 37 19.358 -4.284 3.093 246 HG23 THR 37 HG23 THR 37 20.234 -4.165 4.622 247 H ASN 38 HN ASN 38 15.768 -2.593 5.754 248 HA ASN 38 HA ASN 38 13.298 -4.054 6.027 249 HB2 ASN 38 HB2 ASN 38 14.871 -3.488 8.537 250 HB3 ASN 38 HB1 ASN 38 13.385 -4.410 8.343 251 HD21 ASN 38 HD21 ASN 38 13.511 -6.558 8.085 252 HD22 ASN 38 HD22 ASN 38 14.980 -7.442 7.888 253 HA PRO 39 HA PRO 39 13.393 0.683 6.281 254 HB2 PRO 39 HB2 PRO 39 11.175 0.873 4.629 255 HB3 PRO 39 HB1 PRO 39 12.856 1.055 4.121 256 HG2 PRO 39 HG2 PRO 39 11.087 -1.334 3.954 257 HG3 PRO 39 HG1 PRO 39 12.266 -0.729 2.794 258 HD2 PRO 39 HD2 PRO 39 12.823 -2.815 4.319 259 HD3 PRO 39 HD1 PRO 39 14.057 -1.602 3.955 260 H SER 40 HN SER 40 11.833 2.044 7.243 261 HA SER 40 HA SER 40 10.263 0.962 9.295 262 HB2 SER 40 HB2 SER 40 9.934 3.649 7.939 263 HB3 SER 40 HB1 SER 40 9.392 3.223 9.561 264 HG SER 40 HG SER 40 11.586 2.926 10.135 265 H GLU 41 HN GLU 41 7.868 1.226 9.539 266 HA GLU 41 HA GLU 41 6.516 -0.131 7.515 267 HB2 GLU 41 HB2 GLU 41 5.548 -0.356 9.593 268 HB3 GLU 41 HB1 GLU 41 5.687 1.354 9.962 269 HG2 GLU 41 HG2 GLU 41 3.927 1.876 8.468 270 HG3 GLU 41 HG1 GLU 41 3.796 0.204 7.937 271 H ILE 42 HN ILE 42 6.030 0.499 5.687 272 HA ILE 42 HA ILE 42 6.189 3.264 4.957 273 HB ILE 42 HB ILE 42 5.975 0.686 3.444 274 HG12 ILE 42 HG12 ILE 42 8.075 2.791 3.897 275 HG13 ILE 42 HG11 ILE 42 8.154 1.070 4.245 276 HG21 ILE 42 HG21 ILE 42 6.047 1.903 1.382 277 HG22 ILE 42 HG22 ILE 42 6.064 3.439 2.247 278 HG23 ILE 42 HG23 ILE 42 4.635 2.407 2.309 279 HD11 ILE 42 HD11 ILE 42 8.095 2.290 1.514 280 HD12 ILE 42 HD12 ILE 42 8.260 0.572 1.893 281 HD13 ILE 42 HD13 ILE 42 9.533 1.704 2.351 282 H THR 43 HN THR 43 4.513 4.561 4.536 283 HA THR 43 HA THR 43 1.882 3.310 4.197 284 HB THR 43 HB THR 43 0.848 5.178 5.419 285 HG1 THR 43 HG1 THR 43 2.145 6.610 6.565 286 HG21 THR 43 HG21 THR 43 1.346 3.081 6.585 287 HG22 THR 43 HG22 THR 43 1.499 4.465 7.669 288 HG23 THR 43 HG23 THR 43 2.944 3.696 7.011 289 H LEU 44 HN LEU 44 0.291 4.916 3.395 290 HA LEU 44 HA LEU 44 1.148 5.714 0.837 291 HB2 LEU 44 HB2 LEU 44 -1.353 6.478 2.271 292 HB3 LEU 44 HB1 LEU 44 -1.106 6.424 0.551 293 HG LEU 44 HG LEU 44 -1.359 4.156 2.456 294 HD11 LEU 44 HD11 LEU 44 -3.199 5.441 0.950 295 HD12 LEU 44 HD12 LEU 44 -3.342 3.790 1.543 296 HD13 LEU 44 HD13 LEU 44 -2.749 4.090 -0.091 297 HD21 LEU 44 HD21 LEU 44 0.617 3.836 0.966 298 HD22 LEU 44 HD22 LEU 44 -0.490 3.909 -0.402 299 HD23 LEU 44 HD23 LEU 44 -0.642 2.622 0.786 300 H ALA 45 HN ALA 45 0.491 7.369 3.800 301 HA ALA 45 HA ALA 45 0.710 10.008 2.830 302 HB1 ALA 45 HB1 ALA 45 0.875 10.603 5.204 303 HB2 ALA 45 HB2 ALA 45 1.103 8.896 5.608 304 HB3 ALA 45 HB3 ALA 45 -0.434 9.446 4.904 305 H LYS 46 HN LYS 46 3.015 7.591 3.742 306 HA LYS 46 HA LYS 46 5.276 9.394 3.802 307 HB2 LYS 46 HB2 LYS 46 4.999 6.422 3.987 308 HB3 LYS 46 HB1 LYS 46 6.529 7.249 4.075 309 HG2 LYS 46 HG2 LYS 46 5.852 8.373 6.092 310 HG3 LYS 46 HG1 LYS 46 4.240 7.661 5.968 311 HD2 LYS 46 HD2 LYS 46 5.395 5.405 6.019 312 HD3 LYS 46 HD1 LYS 46 6.853 6.277 6.506 313 HE2 LYS 46 HE2 LYS 46 4.205 6.351 7.927 314 HE3 LYS 46 HE1 LYS 46 5.601 5.377 8.409 315 HZ1 LYS 46 HZ1 LYS 46 6.859 7.431 8.711 316 HZ2 LYS 46 HZ2 LYS 46 5.484 7.409 9.694 317 HZ3 LYS 46 HZ3 LYS 46 5.501 8.344 8.286 318 H LEU 47 HN LEU 47 3.764 7.094 1.662 319 HA LEU 47 HA LEU 47 5.903 6.995 -0.216 320 HB2 LEU 47 HB2 LEU 47 3.048 6.063 -0.215 321 HB3 LEU 47 HB1 LEU 47 4.069 5.905 -1.634 322 HG LEU 47 HG LEU 47 4.599 4.673 1.065 323 HD11 LEU 47 HD11 LEU 47 4.161 2.555 -0.099 324 HD12 LEU 47 HD12 LEU 47 3.701 3.459 -1.542 325 HD13 LEU 47 HD13 LEU 47 2.747 3.608 -0.067 326 HD21 LEU 47 HD21 LEU 47 6.417 3.499 -0.088 327 HD22 LEU 47 HD22 LEU 47 6.663 5.243 -0.074 328 HD23 LEU 47 HD23 LEU 47 6.098 4.446 -1.540 329 H ALA 48 HN ALA 48 3.571 9.274 0.471 330 HA ALA 48 HA ALA 48 2.513 10.243 -1.814 331 HB1 ALA 48 HB1 ALA 48 2.221 12.292 -0.753 332 HB2 ALA 48 HB2 ALA 48 3.723 12.147 0.150 333 HB3 ALA 48 HB3 ALA 48 2.341 11.137 0.576 334 HA PRO 49 HA PRO 49 6.442 12.926 -2.850 335 HB2 PRO 49 HB2 PRO 49 8.554 11.374 -1.472 336 HB3 PRO 49 HB1 PRO 49 8.347 13.112 -1.599 337 HG2 PRO 49 HG2 PRO 49 7.852 11.919 0.692 338 HG3 PRO 49 HG1 PRO 49 6.732 13.166 0.097 339 HD2 PRO 49 HD2 PRO 49 6.515 10.186 -0.120 340 HD3 PRO 49 HD1 PRO 49 5.303 11.344 0.455 341 H TYR 50 HN TYR 50 6.284 9.513 -2.734 342 HA TYR 50 HA TYR 50 8.239 9.218 -4.900 343 HB2 TYR 50 HB2 TYR 50 7.108 7.115 -3.052 344 HB3 TYR 50 HB1 TYR 50 8.383 6.882 -4.238 345 HD1 TYR 50 HD1 TYR 50 10.577 8.096 -3.907 346 HD2 TYR 50 HD2 TYR 50 7.588 7.889 -0.893 347 HE1 TYR 50 HE1 TYR 50 12.255 8.695 -2.218 348 HE2 TYR 50 HE2 TYR 50 9.261 8.492 0.812 349 HH TYR 50 HH TYR 50 11.657 8.456 1.145 350 H MET 51 HN MET 51 4.966 9.527 -4.565 351 HA MET 51 HA MET 51 4.239 7.354 -6.332 352 HB2 MET 51 HB2 MET 51 2.419 9.592 -5.487 353 HB3 MET 51 HB1 MET 51 1.983 8.029 -6.133 354 HG2 MET 51 HG2 MET 51 3.443 8.370 -3.563 355 HG3 MET 51 HG1 MET 51 1.687 8.311 -3.675 356 HE1 MET 51 HE1 MET 51 1.409 4.684 -5.356 357 HE2 MET 51 HE2 MET 51 1.806 6.144 -6.254 358 HE3 MET 51 HE3 MET 51 0.527 6.178 -5.041 359 H SER 52 HN SER 52 3.925 7.402 -8.336 360 HA SER 52 HA SER 52 5.102 9.563 -9.819 361 HB2 SER 52 HB2 SER 52 4.299 7.783 -11.716 362 HB3 SER 52 HB1 SER 52 5.818 7.671 -10.828 363 HG SER 52 HG SER 52 3.394 6.264 -10.404 364 H LYS 53 HN LYS 53 1.950 7.909 -9.970 365 HA LYS 53 HA LYS 53 0.841 9.757 -11.815 366 HB2 LYS 53 HB2 LYS 53 -0.989 8.380 -11.777 367 HB3 LYS 53 HB1 LYS 53 0.194 7.275 -11.115 368 HG2 LYS 53 HG2 LYS 53 -1.859 8.847 -9.579 369 HG3 LYS 53 HG1 LYS 53 -1.832 7.108 -9.857 370 HD2 LYS 53 HD2 LYS 53 0.355 7.052 -8.620 371 HD3 LYS 53 HD1 LYS 53 0.071 8.744 -8.196 372 HE2 LYS 53 HE2 LYS 53 -0.635 7.351 -6.375 373 HE3 LYS 53 HE1 LYS 53 -2.051 8.088 -7.137 374 HZ1 LYS 53 HZ1 LYS 53 -1.183 5.282 -7.243 375 HZ2 LYS 53 HZ2 LYS 53 -2.123 5.920 -8.488 376 HZ3 LYS 53 HZ3 LYS 53 -2.722 5.916 -6.908 377 H ASN 54 HN ASN 54 -1.139 11.031 -11.300 378 HA ASN 54 HA ASN 54 -2.208 12.722 -10.137 379 HB2 ASN 54 HB2 ASN 54 -3.269 10.404 -9.785 380 HB3 ASN 54 HB1 ASN 54 -2.650 10.512 -8.144 381 HD21 ASN 54 HD21 ASN 54 -5.394 10.379 -8.962 382 HD22 ASN 54 HD22 ASN 54 -6.161 11.822 -8.396 383 H ALA 55 HN ALA 55 -0.979 10.826 -7.468 384 HA ALA 55 HA ALA 55 -1.086 12.585 -5.426 385 HB1 ALA 55 HB1 ALA 55 0.741 11.170 -4.445 386 HB2 ALA 55 HB2 ALA 55 0.817 10.345 -6.009 387 HB3 ALA 55 HB3 ALA 55 -0.668 10.311 -5.060 388 H LYS 56 HN LYS 56 0.371 13.821 -4.292 389 HA LYS 56 HA LYS 56 2.978 14.388 -5.370 390 HB2 LYS 56 HB2 LYS 56 1.431 16.056 -6.432 391 HB3 LYS 56 HB1 LYS 56 1.061 16.651 -4.822 392 HG2 LYS 56 HG2 LYS 56 2.707 18.060 -5.906 393 HG3 LYS 56 HG1 LYS 56 3.400 17.255 -4.498 394 HD2 LYS 56 HD2 LYS 56 4.961 17.230 -6.373 395 HD3 LYS 56 HD1 LYS 56 4.449 15.597 -5.955 396 HE2 LYS 56 HE2 LYS 56 2.847 15.626 -7.807 397 HE3 LYS 56 HE1 LYS 56 3.352 17.263 -8.217 398 HZ1 LYS 56 HZ1 LYS 56 4.436 15.674 -9.642 399 HZ2 LYS 56 HZ2 LYS 56 5.054 14.834 -8.311 400 HZ3 LYS 56 HZ3 LYS 56 5.585 16.405 -8.640 401 H ASN 57 HN ASN 57 0.613 15.475 -2.930 402 HA ASN 57 HA ASN 57 2.690 15.070 -0.900 403 HB2 ASN 57 HB2 ASN 57 0.413 17.047 -0.972 404 HB3 ASN 57 HB1 ASN 57 1.279 16.650 0.508 405 HD21 ASN 57 HD21 ASN 57 1.060 19.180 -0.958 406 HD22 ASN 57 HD22 ASN 57 2.683 19.662 -1.305 407 H GLU 58 HN GLU 58 1.513 14.793 1.332 408 HA GLU 58 HA GLU 58 0.370 12.233 1.225 409 HB2 GLU 58 HB2 GLU 58 0.970 12.211 3.361 410 HB3 GLU 58 HB1 GLU 58 1.510 13.865 3.151 411 HG2 GLU 58 HG2 GLU 58 -0.745 14.621 3.745 412 HG3 GLU 58 HG1 GLU 58 -1.157 12.950 4.126 413 H ASP 59 HN ASP 59 -1.019 15.389 1.576 414 HA ASP 59 HA ASP 59 -3.642 14.655 2.252 415 HB2 ASP 59 HB2 ASP 59 -3.066 16.901 2.575 416 HB3 ASP 59 HB1 ASP 59 -2.417 17.061 0.955 417 H GLY 60 HN GLY 60 -1.961 14.850 -0.791 418 HA2 GLY 60 HA2 GLY 60 -4.394 14.529 -2.328 419 HA3 GLY 60 HA1 GLY 60 -2.772 14.688 -2.972 420 H ILE 61 HN ILE 61 -1.432 12.633 -1.800 421 HA ILE 61 HA ILE 61 -1.925 10.591 -3.560 422 HB ILE 61 HB ILE 61 0.224 10.748 -2.588 423 HG12 ILE 61 HG12 ILE 61 0.695 8.547 -1.872 424 HG13 ILE 61 HG11 ILE 61 -0.946 8.302 -1.279 425 HG21 ILE 61 HG21 ILE 61 -0.414 11.802 -0.484 426 HG22 ILE 61 HG22 ILE 61 0.704 10.460 -0.234 427 HG23 ILE 61 HG23 ILE 61 -1.009 10.253 0.109 428 HD11 ILE 61 HD11 ILE 61 -0.352 7.149 -3.441 429 HD12 ILE 61 HD12 ILE 61 -0.297 8.746 -4.188 430 HD13 ILE 61 HD13 ILE 61 -1.805 8.150 -3.476 431 H VAL 62 HN VAL 62 -2.590 10.543 -0.134 432 HA VAL 62 HA VAL 62 -3.607 7.943 -0.049 433 HB VAL 62 HB VAL 62 -4.004 10.288 1.797 434 HG11 VAL 62 HG11 VAL 62 -5.711 8.565 2.117 435 HG12 VAL 62 HG12 VAL 62 -4.607 8.704 3.494 436 HG13 VAL 62 HG13 VAL 62 -4.424 7.368 2.356 437 HG21 VAL 62 HG21 VAL 62 -2.306 8.193 2.721 438 HG22 VAL 62 HG22 VAL 62 -1.949 9.912 2.495 439 HG23 VAL 62 HG23 VAL 62 -1.759 8.783 1.144 440 H ASN 63 HN ASN 63 -5.079 11.038 -0.495 441 HA ASN 63 HA ASN 63 -7.776 10.149 -0.250 442 HB2 ASN 63 HB2 ASN 63 -7.067 12.454 0.216 443 HB3 ASN 63 HB1 ASN 63 -6.653 12.675 -1.480 444 HD21 ASN 63 HD21 ASN 63 -9.219 12.409 0.835 445 HD22 ASN 63 HD22 ASN 63 -10.491 12.935 -0.213 446 H SER 64 HN SER 64 -5.477 10.381 -2.846 447 HA SER 64 HA SER 64 -7.412 10.007 -4.958 448 HB2 SER 64 HB2 SER 64 -4.386 9.801 -4.985 449 HB3 SER 64 HB1 SER 64 -5.428 9.832 -6.411 450 HG SER 64 HG SER 64 -5.974 11.907 -4.765 451 H LEU 65 HN LEU 65 -5.659 8.072 -2.799 452 HA LEU 65 HA LEU 65 -5.760 5.656 -4.394 453 HB2 LEU 65 HB2 LEU 65 -4.967 6.045 -1.514 454 HB3 LEU 65 HB1 LEU 65 -4.701 4.607 -2.479 455 HG LEU 65 HG LEU 65 -3.463 7.279 -3.076 456 HD11 LEU 65 HD11 LEU 65 -1.464 6.425 -2.064 457 HD12 LEU 65 HD12 LEU 65 -2.236 4.877 -1.747 458 HD13 LEU 65 HD13 LEU 65 -2.770 6.321 -0.888 459 HD21 LEU 65 HD21 LEU 65 -2.812 4.509 -4.009 460 HD22 LEU 65 HD22 LEU 65 -2.017 6.000 -4.514 461 HD23 LEU 65 HD23 LEU 65 -3.699 5.699 -4.957 462 H ALA 66 HN ALA 66 -6.807 3.701 -3.548 463 HA ALA 66 HA ALA 66 -9.465 3.942 -2.926 464 HB1 ALA 66 HB1 ALA 66 -8.539 1.802 -3.631 465 HB2 ALA 66 HB2 ALA 66 -9.419 1.629 -2.106 466 HB3 ALA 66 HB3 ALA 66 -7.653 1.675 -2.107 467 H LYS 67 HN LYS 67 -10.675 4.104 -1.198 468 HA LYS 67 HA LYS 67 -9.307 4.482 1.362 469 HB2 LYS 67 HB2 LYS 67 -11.897 5.758 0.510 470 HB3 LYS 67 HB1 LYS 67 -10.962 6.109 1.951 471 HG2 LYS 67 HG2 LYS 67 -10.226 6.738 -0.887 472 HG3 LYS 67 HG1 LYS 67 -10.668 7.876 0.380 473 HD2 LYS 67 HD2 LYS 67 -8.288 6.066 0.580 474 HD3 LYS 67 HD1 LYS 67 -8.202 7.662 -0.163 475 HE2 LYS 67 HE2 LYS 67 -8.916 7.001 2.688 476 HE3 LYS 67 HE1 LYS 67 -7.474 7.844 2.115 477 HZ1 LYS 67 HZ1 LYS 67 -10.266 8.855 1.915 478 HZ2 LYS 67 HZ2 LYS 67 -8.881 9.666 1.389 479 HZ3 LYS 67 HZ3 LYS 67 -9.108 9.369 3.033 480 H ASP 68 HN ASP 68 -10.091 3.382 3.091 481 HA ASP 68 HA ASP 68 -12.532 1.862 2.545 482 HB2 ASP 68 HB2 ASP 68 -10.353 0.518 2.860 483 HB3 ASP 68 HB1 ASP 68 -10.553 0.867 4.584 484 H LYS 69 HN LYS 69 -13.929 1.432 4.368 485 HA LYS 69 HA LYS 69 -14.408 4.086 5.374 486 HB2 LYS 69 HB2 LYS 69 -16.657 3.544 5.445 487 HB3 LYS 69 HB1 LYS 69 -16.046 2.671 4.059 488 HG2 LYS 69 HG2 LYS 69 -16.553 1.474 6.767 489 HG3 LYS 69 HG1 LYS 69 -17.650 1.375 5.393 490 HD2 LYS 69 HD2 LYS 69 -14.834 0.305 5.446 491 HD3 LYS 69 HD1 LYS 69 -16.283 -0.666 5.703 492 HE2 LYS 69 HE2 LYS 69 -17.046 -0.178 3.462 493 HE3 LYS 69 HE1 LYS 69 -15.685 0.914 3.206 494 HZ1 LYS 69 HZ1 LYS 69 -15.565 -2.026 3.582 495 HZ2 LYS 69 HZ2 LYS 69 -14.199 -1.030 3.555 496 HZ3 LYS 69 HZ3 LYS 69 -15.184 -1.160 2.180 497 H SER 70 HN SER 70 -13.916 0.890 6.783 498 HA SER 70 HA SER 70 -14.641 2.014 9.386 499 HB2 SER 70 HB2 SER 70 -14.500 -0.477 10.053 500 HB3 SER 70 HB1 SER 70 -15.838 0.030 9.021 501 HG SER 70 HG SER 70 -14.265 -1.901 8.500 502 H GLY 71 HN GLY 71 -12.025 0.455 7.653 503 HA2 GLY 71 HA2 GLY 71 -9.765 0.370 8.102 504 HA3 GLY 71 HA1 GLY 71 -10.031 1.697 9.222 505 H ASN 72 HN ASN 72 -11.571 -1.447 9.490 506 HA ASN 72 HA ASN 72 -11.315 -1.719 12.196 507 HB2 ASN 72 HB2 ASN 72 -11.335 -3.945 10.153 508 HB3 ASN 72 HB1 ASN 72 -11.610 -4.169 11.875 509 HD21 ASN 72 HD21 ASN 72 -13.517 -3.364 12.800 510 HD22 ASN 72 HD22 ASN 72 -14.901 -2.998 11.827 511 H SER 73 HN SER 73 -8.990 -2.867 9.777 512 HA SER 73 HA SER 73 -7.393 -4.138 11.820 513 HB2 SER 73 HB2 SER 73 -7.688 -5.196 9.608 514 HB3 SER 73 HB1 SER 73 -6.857 -3.836 8.857 515 HG SER 73 HG SER 73 -5.200 -4.564 10.657 516 H SER 74 HN SER 74 -7.698 -1.013 10.898 517 HA SER 74 HA SER 74 -6.439 0.865 11.011 518 HB2 SER 74 HB2 SER 74 -5.931 -0.109 13.286 519 HB3 SER 74 HB1 SER 74 -4.445 -0.760 12.599 520 HG SER 74 HG SER 74 -3.670 1.121 13.152 521 H THR 75 HN THR 75 -5.948 1.034 8.860 522 HA THR 75 HA THR 75 -3.905 -0.625 7.682 523 HB THR 75 HB THR 75 -6.057 -0.019 6.534 524 HG1 THR 75 HG1 THR 75 -3.591 0.623 5.254 525 HG21 THR 75 HG21 THR 75 -6.200 2.151 5.433 526 HG22 THR 75 HG22 THR 75 -4.692 2.650 6.199 527 HG23 THR 75 HG23 THR 75 -6.121 2.340 7.183 528 H SER 76 HN SER 76 -3.663 2.028 9.521 529 HA SER 76 HA SER 76 -2.012 3.506 9.963 530 HB2 SER 76 HB2 SER 76 -0.518 2.059 7.766 531 HB3 SER 76 HB1 SER 76 0.186 3.288 8.814 532 HG SER 76 HG SER 76 0.622 1.629 10.033 533 H ALA 77 HN ALA 77 -2.642 3.095 6.497 534 HA ALA 77 HA ALA 77 -2.036 5.837 5.861 535 HB1 ALA 77 HB1 ALA 77 -1.881 4.016 4.192 536 HB2 ALA 77 HB2 ALA 77 -2.916 5.357 3.668 537 HB3 ALA 77 HB3 ALA 77 -3.636 3.851 4.254 538 HA PRO 78 HA PRO 78 -5.599 7.651 7.686 539 HB2 PRO 78 HB2 PRO 78 -5.132 9.554 5.440 540 HB3 PRO 78 HB1 PRO 78 -5.431 9.904 7.142 541 HG2 PRO 78 HG2 PRO 78 -2.986 10.078 6.197 542 HG3 PRO 78 HG1 PRO 78 -3.269 9.255 7.742 543 HD2 PRO 78 HD2 PRO 78 -2.730 8.076 5.063 544 HD3 PRO 78 HD1 PRO 78 -2.142 7.568 6.658 545 H GLY 79 HN GLY 79 -7.354 6.445 7.296 546 HA2 GLY 79 HA2 GLY 79 -9.352 5.800 6.399 547 HA3 GLY 79 HA1 GLY 79 -9.286 7.271 5.451 548 H SER 80 HN SER 80 -6.610 5.307 4.766 549 HA SER 80 HA SER 80 -7.765 4.790 2.127 550 HB2 SER 80 HB2 SER 80 -5.311 5.699 2.942 551 HB3 SER 80 HB1 SER 80 -4.981 4.009 2.563 552 HG SER 80 HG SER 80 -6.558 5.129 0.668 553 H ALA 81 HN ALA 81 -6.717 2.798 1.053 554 HA ALA 81 HA ALA 81 -7.252 0.466 2.740 555 HB1 ALA 81 HB1 ALA 81 -8.064 -0.623 0.738 556 HB2 ALA 81 HB2 ALA 81 -7.596 0.778 -0.234 557 HB3 ALA 81 HB3 ALA 81 -8.893 0.926 0.956 558 H HIS 82 HN HIS 82 -4.643 1.677 2.546 559 HA HIS 82 HA HIS 82 -3.281 -0.654 1.463 560 HB2 HIS 82 HB2 HIS 82 -2.495 2.200 0.967 561 HB3 HIS 82 HB1 HIS 82 -1.382 0.876 0.806 562 HD1 HIS 82 HD1 HIS 82 -1.934 -0.847 -1.155 563 HD2 HIS 82 HD2 HIS 82 -4.147 2.674 -1.172 564 HE1 HIS 82 HE1 HIS 82 -2.934 -0.683 -3.452 565 HE2 HIS 82 HE2 HIS 82 -4.420 1.343 -3.368 566 H GLN 83 HN GLN 83 -1.968 -1.582 2.839 567 HA GLN 83 HA GLN 83 -0.611 -0.046 4.915 568 HB2 GLN 83 HB2 GLN 83 -2.622 -0.766 6.057 569 HB3 GLN 83 HB1 GLN 83 -2.442 -2.393 5.423 570 HG2 GLN 83 HG2 GLN 83 -0.342 -2.608 6.730 571 HG3 GLN 83 HG1 GLN 83 -0.693 -1.039 7.457 572 HE21 GLN 83 HE21 GLN 83 -0.819 -1.953 9.504 573 HE22 GLN 83 HE22 GLN 83 -2.185 -2.881 10.004 574 H ILE 84 HN ILE 84 1.464 -0.661 4.787 575 HA ILE 84 HA ILE 84 2.078 -3.062 3.338 576 HB ILE 84 HB ILE 84 3.520 -0.609 4.153 577 HG12 ILE 84 HG12 ILE 84 3.966 -1.601 1.517 578 HG13 ILE 84 HG11 ILE 84 2.257 -1.723 1.887 579 HG21 ILE 84 HG21 ILE 84 5.645 -1.527 3.319 580 HG22 ILE 84 HG22 ILE 84 4.902 -3.122 3.207 581 HG23 ILE 84 HG23 ILE 84 5.103 -2.352 4.781 582 HD11 ILE 84 HD11 ILE 84 2.366 0.691 2.579 583 HD12 ILE 84 HD12 ILE 84 2.582 0.364 0.861 584 HD13 ILE 84 HD13 ILE 84 3.980 0.725 1.872 585 H ASP 85 HN ASP 85 3.202 -4.790 4.041 586 HA ASP 85 HA ASP 85 3.394 -5.144 6.941 587 HB2 ASP 85 HB2 ASP 85 2.164 -6.912 5.829 588 HB3 ASP 85 HB1 ASP 85 3.463 -7.142 4.651 589 H THR 86 HN THR 86 5.247 -4.730 7.821 590 HA THR 86 HA THR 86 7.632 -4.650 6.202 591 HB THR 86 HB THR 86 8.645 -3.822 8.375 592 HG1 THR 86 HG1 THR 86 6.087 -3.272 9.315 593 HG21 THR 86 HG21 THR 86 6.262 -2.381 7.227 594 HG22 THR 86 HG22 THR 86 7.903 -2.357 6.569 595 HG23 THR 86 HG23 THR 86 7.574 -1.632 8.146 596 H THR 87 HN THR 87 6.045 -6.852 8.187 597 HA THR 87 HA THR 87 8.109 -8.320 9.344 598 HB THR 87 HB THR 87 5.642 -9.606 8.204 599 HG1 THR 87 HG1 THR 87 4.525 -8.163 9.273 600 HG21 THR 87 HG21 THR 87 7.173 -9.985 10.774 601 HG22 THR 87 HG22 THR 87 7.268 -11.022 9.351 602 HG23 THR 87 HG23 THR 87 5.763 -10.916 10.267 603 H ASN 88 HN ASN 88 6.360 -9.005 6.303 604 HA ASN 88 HA ASN 88 8.616 -10.675 5.433 605 HB2 ASN 88 HB2 ASN 88 5.878 -10.347 4.188 606 HB3 ASN 88 HB1 ASN 88 7.099 -11.516 3.708 607 HD21 ASN 88 HD21 ASN 88 4.761 -10.626 6.127 608 HD22 ASN 88 HD22 ASN 88 4.717 -12.167 6.926 609 H HIS 89 HN HIS 89 7.576 -7.577 5.218 610 HA HIS 89 HA HIS 89 8.226 -5.761 4.027 611 HB2 HIS 89 HB2 HIS 89 10.044 -7.691 2.564 612 HB3 HIS 89 HB1 HIS 89 10.087 -5.942 2.399 613 HD1 HIS 89 HD1 HIS 89 12.082 -8.311 3.802 614 HD2 HIS 89 HD2 HIS 89 10.210 -4.993 5.471 615 HE1 HIS 89 HE1 HIS 89 13.399 -7.752 5.863 616 HE2 HIS 89 HE2 HIS 89 12.107 -5.887 6.957 617 H LYS 90 HN LYS 90 5.856 -6.795 3.363 618 HA LYS 90 HA LYS 90 5.842 -6.763 0.411 619 HB2 LYS 90 HB2 LYS 90 3.531 -7.856 2.038 620 HB3 LYS 90 HB1 LYS 90 3.930 -8.108 0.363 621 HG2 LYS 90 HG2 LYS 90 5.790 -9.492 0.869 622 HG3 LYS 90 HG1 LYS 90 5.660 -9.120 2.586 623 HD2 LYS 90 HD2 LYS 90 3.517 -10.521 0.995 624 HD3 LYS 90 HD1 LYS 90 4.757 -11.357 1.934 625 HE2 LYS 90 HE2 LYS 90 3.975 -10.124 3.946 626 HE3 LYS 90 HE1 LYS 90 2.671 -9.457 2.974 627 HZ1 LYS 90 HZ1 LYS 90 1.895 -11.362 4.195 628 HZ2 LYS 90 HZ2 LYS 90 3.122 -12.331 3.553 629 HZ3 LYS 90 HZ3 LYS 90 1.910 -11.730 2.547 630 H LEU 91 HN LEU 91 4.298 -5.595 -0.673 631 HA LEU 91 HA LEU 91 3.150 -3.321 0.748 632 HB2 LEU 91 HB2 LEU 91 4.386 -3.015 -1.370 633 HB3 LEU 91 HB1 LEU 91 3.239 -4.014 -2.192 634 HG LEU 91 HG LEU 91 2.286 -2.118 -2.823 635 HD11 LEU 91 HD11 LEU 91 0.549 -2.654 -1.283 636 HD12 LEU 91 HD12 LEU 91 0.805 -0.907 -1.236 637 HD13 LEU 91 HD13 LEU 91 1.441 -1.930 0.058 638 HD21 LEU 91 HD21 LEU 91 2.883 0.035 -2.047 639 HD22 LEU 91 HD22 LEU 91 4.327 -0.966 -2.143 640 HD23 LEU 91 HD23 LEU 91 3.584 -0.635 -0.578 641 H ILE 92 HN ILE 92 1.410 -3.972 1.803 642 HA ILE 92 HA ILE 92 -0.567 -5.693 0.546 643 HB ILE 92 HB ILE 92 -0.016 -4.761 3.340 644 HG12 ILE 92 HG12 ILE 92 -0.340 -7.307 3.704 645 HG13 ILE 92 HG11 ILE 92 -0.187 -7.412 1.956 646 HG21 ILE 92 HG21 ILE 92 -2.424 -4.460 3.041 647 HG22 ILE 92 HG22 ILE 92 -2.070 -5.781 4.154 648 HG23 ILE 92 HG23 ILE 92 -2.570 -6.133 2.502 649 HD11 ILE 92 HD11 ILE 92 1.837 -6.161 3.761 650 HD12 ILE 92 HD12 ILE 92 1.992 -6.461 2.029 651 HD13 ILE 92 HD13 ILE 92 1.901 -7.811 3.158 652 H SER 93 HN SER 93 -2.587 -4.990 0.073 653 HA SER 93 HA SER 93 -3.229 -2.219 0.743 654 HB2 SER 93 HB2 SER 93 -4.601 -3.817 -1.391 655 HB3 SER 93 HB1 SER 93 -4.528 -2.068 -1.203 656 HG SER 93 HG SER 93 -2.361 -3.789 -1.881 657 H THR 94 HN THR 94 -4.641 -2.080 2.399 658 HA THR 94 HA THR 94 -6.020 -4.539 3.147 659 HB THR 94 HB THR 94 -5.322 -2.072 4.737 660 HG1 THR 94 HG1 THR 94 -3.871 -3.423 5.738 661 HG21 THR 94 HG21 THR 94 -6.225 -3.304 6.690 662 HG22 THR 94 HG22 THR 94 -6.842 -4.540 5.588 663 HG23 THR 94 HG23 THR 94 -7.470 -2.895 5.508 664 H PHE 95 HN PHE 95 -7.958 -4.711 2.464 665 HA PHE 95 HA PHE 95 -9.746 -2.391 2.343 666 HB2 PHE 95 HB2 PHE 95 -9.468 -3.853 0.331 667 HB3 PHE 95 HB1 PHE 95 -10.098 -5.185 1.286 668 HD1 PHE 95 HD1 PHE 95 -12.467 -5.235 1.965 669 HD2 PHE 95 HD2 PHE 95 -10.917 -2.171 -0.562 670 HE1 PHE 95 HE1 PHE 95 -14.753 -4.621 1.308 671 HE2 PHE 95 HE2 PHE 95 -13.205 -1.555 -1.214 672 HZ PHE 95 HZ PHE 95 -15.125 -2.778 -0.278 673 H THR 96 HN THR 96 -10.666 -2.209 4.403 674 HA THR 96 HA THR 96 -11.318 -4.621 5.839 675 HB THR 96 HB THR 96 -12.430 -2.852 7.429 676 HG1 THR 96 HG1 THR 96 -12.076 -1.132 5.809 677 HG21 THR 96 HG21 THR 96 -10.279 -2.564 8.518 678 HG22 THR 96 HG22 THR 96 -9.460 -3.080 7.044 679 HG23 THR 96 HG23 THR 96 -10.488 -4.217 7.931 680 HA PRO 97 HA PRO 97 -15.316 -4.786 3.796 681 HB2 PRO 97 HB2 PRO 97 -16.056 -6.989 5.328 682 HB3 PRO 97 HB1 PRO 97 -15.335 -7.054 3.719 683 HG2 PRO 97 HG2 PRO 97 -14.122 -7.524 6.365 684 HG3 PRO 97 HG1 PRO 97 -13.669 -8.171 4.782 685 HD2 PRO 97 HD2 PRO 97 -12.294 -6.221 6.091 686 HD3 PRO 97 HD1 PRO 97 -12.283 -6.421 4.333 687 H SER 98 HN SER 98 -17.395 -4.284 4.541 688 HA SER 98 HA SER 98 -17.515 -2.794 6.934 689 HB2 SER 98 HB2 SER 98 -19.823 -3.804 5.263 690 HB3 SER 98 HB1 SER 98 -19.842 -2.438 6.381 691 HG SER 98 HG SER 98 -19.517 -2.041 4.001 692 H ASN 99 HN ASN 99 -17.587 -6.063 6.435 693 HA ASN 99 HA ASN 99 -19.273 -6.823 8.630 694 HB2 ASN 99 HB2 ASN 99 -18.669 -8.235 6.571 695 HB3 ASN 99 HB1 ASN 99 -17.129 -8.506 7.367 696 HD21 ASN 99 HD21 ASN 99 -17.045 -9.802 9.209 697 HD22 ASN 99 HD22 ASN 99 -18.358 -10.823 9.670 698 H GLY 100 HN GLY 100 -16.075 -5.629 8.293 699 HA2 GLY 100 HA2 GLY 100 -14.542 -5.130 9.952 700 HA3 GLY 100 HA1 GLY 100 -15.578 -5.942 11.117 701 H GLY 101 HN GLY 101 -14.927 -7.716 8.338 702 HA2 GLY 101 HA2 GLY 101 -13.427 -9.638 9.934 703 HA3 GLY 101 HA1 GLY 101 -14.192 -9.945 8.385 704 H GLN 102 HN GLN 102 -12.093 -11.038 8.017 705 HA GLN 102 HA GLN 102 -9.651 -9.725 7.860 706 HB2 GLN 102 HB2 GLN 102 -8.930 -11.525 6.388 707 HB3 GLN 102 HB1 GLN 102 -9.889 -12.163 7.719 708 HG2 GLN 102 HG2 GLN 102 -11.817 -12.347 6.276 709 HG3 GLN 102 HG1 GLN 102 -10.906 -11.635 4.947 710 HE21 GLN 102 HE21 GLN 102 -9.515 -13.920 7.196 711 HE22 GLN 102 HE22 GLN 102 -9.358 -15.219 6.067 712 H ALA 103 HN ALA 103 -8.588 -8.623 6.300 713 HA ALA 103 HA ALA 103 -10.323 -7.098 4.537 714 HB1 ALA 103 HB1 ALA 103 -7.405 -6.755 5.197 715 HB2 ALA 103 HB2 ALA 103 -8.759 -5.922 5.967 716 HB3 ALA 103 HB3 ALA 103 -8.401 -5.637 4.260 717 H THR 104 HN THR 104 -10.054 -6.743 2.502 718 HA THR 104 HA THR 104 -9.053 -8.887 0.865 719 HB THR 104 HB THR 104 -10.892 -6.625 0.675 720 HG1 THR 104 HG1 THR 104 -11.307 -8.997 0.609 721 HG21 THR 104 HG21 THR 104 -10.770 -6.422 -1.768 722 HG22 THR 104 HG22 THR 104 -9.275 -7.366 -1.752 723 HG23 THR 104 HG23 THR 104 -9.336 -5.793 -0.959 724 H VAL 105 HN VAL 105 -7.143 -8.804 -0.328 725 HA VAL 105 HA VAL 105 -5.576 -6.347 0.078 726 HB VAL 105 HB VAL 105 -4.643 -9.154 0.651 727 HG11 VAL 105 HG11 VAL 105 -2.845 -7.909 -0.355 728 HG12 VAL 105 HG12 VAL 105 -2.540 -8.087 1.373 729 HG13 VAL 105 HG13 VAL 105 -3.135 -6.558 0.736 730 HG21 VAL 105 HG21 VAL 105 -5.987 -8.292 2.459 731 HG22 VAL 105 HG22 VAL 105 -5.085 -6.776 2.449 732 HG23 VAL 105 HG23 VAL 105 -4.287 -8.269 2.941 733 H LEU 106 HN LEU 106 -4.539 -5.637 -1.578 734 HA LEU 106 HA LEU 106 -3.648 -7.400 -3.744 735 HB2 LEU 106 HB2 LEU 106 -4.136 -4.473 -3.470 736 HB3 LEU 106 HB1 LEU 106 -2.827 -4.962 -4.530 737 HG LEU 106 HG LEU 106 -4.743 -4.593 -5.880 738 HD11 LEU 106 HD11 LEU 106 -3.403 -6.534 -6.483 739 HD12 LEU 106 HD12 LEU 106 -5.100 -6.781 -6.892 740 HD13 LEU 106 HD13 LEU 106 -4.413 -7.566 -5.471 741 HD21 LEU 106 HD21 LEU 106 -6.463 -4.733 -4.133 742 HD22 LEU 106 HD22 LEU 106 -6.243 -6.479 -4.034 743 HD23 LEU 106 HD23 LEU 106 -6.885 -5.750 -5.507 744 H THR 107 HN THR 107 -1.675 -8.320 -3.274 745 HA THR 107 HA THR 107 0.172 -6.716 -1.625 746 HB THR 107 HB THR 107 0.483 -9.676 -1.912 747 HG1 THR 107 HG1 THR 107 -1.443 -9.831 -1.032 748 HG21 THR 107 HG21 THR 107 2.288 -8.383 -0.850 749 HG22 THR 107 HG22 THR 107 1.514 -9.452 0.316 750 HG23 THR 107 HG23 THR 107 1.143 -7.731 0.320 751 H TYR 108 HN TYR 108 2.194 -6.404 -2.185 752 HA TYR 108 HA TYR 108 3.357 -7.863 -4.462 753 HB2 TYR 108 HB2 TYR 108 3.272 -5.774 -5.447 754 HB3 TYR 108 HB1 TYR 108 3.219 -4.943 -3.904 755 HD1 TYR 108 HD1 TYR 108 5.179 -4.142 -2.862 756 HD2 TYR 108 HD2 TYR 108 5.470 -6.519 -6.376 757 HE1 TYR 108 HE1 TYR 108 7.531 -3.500 -3.081 758 HE2 TYR 108 HE2 TYR 108 7.841 -5.901 -6.601 759 HH TYR 108 HH TYR 108 9.612 -4.483 -4.149 760 H ASP 109 HN ASP 109 5.555 -8.504 -4.086 761 HA ASP 109 HA ASP 109 6.368 -8.126 -1.283 762 HB2 ASP 109 HB2 ASP 109 5.916 -10.497 -2.285 763 HB3 ASP 109 HB1 ASP 109 7.500 -10.287 -3.024 764 H TRP 110 HN TRP 110 8.089 -6.912 -0.916 765 HA TRP 110 HA TRP 110 9.635 -5.936 -3.145 766 HB2 TRP 110 HB2 TRP 110 9.228 -4.213 -1.663 767 HB3 TRP 110 HB1 TRP 110 9.404 -5.231 -0.246 768 HD1 TRP 110 HD1 TRP 110 11.733 -5.255 0.925 769 HE1 TRP 110 HE1 TRP 110 13.977 -4.070 0.492 770 HE3 TRP 110 HE3 TRP 110 10.762 -3.334 -3.716 771 HZ2 TRP 110 HZ2 TRP 110 15.170 -2.530 -1.544 772 HZ3 TRP 110 HZ3 TRP 110 12.512 -2.018 -4.836 773 HH2 TRP 110 HH2 TRP 110 14.669 -1.624 -3.770 774 H SER 111 HN SER 111 9.967 -8.335 -0.680 775 HA SER 111 HA SER 111 12.824 -8.600 -1.292 776 HB2 SER 111 HB2 SER 111 12.233 -8.390 1.097 777 HB3 SER 111 HB1 SER 111 11.235 -9.831 0.962 778 HG SER 111 HG SER 111 13.256 -10.380 1.786 779 H ALA 112 HN ALA 112 9.773 -10.238 -1.325 780 HA ALA 112 HA ALA 112 8.964 -11.985 -2.471 781 HB1 ALA 112 HB1 ALA 112 9.872 -10.637 -4.277 782 HB2 ALA 112 HB2 ALA 112 9.878 -12.362 -4.654 783 HB3 ALA 112 HB3 ALA 112 11.373 -11.551 -4.184 784 H ASN 113 HN ASN 113 11.116 -12.409 -0.392 785 HA ASN 113 HA ASN 113 12.270 -14.948 -1.159 786 HB2 ASN 113 HB2 ASN 113 13.419 -13.309 0.387 787 HB3 ASN 113 HB1 ASN 113 12.209 -13.707 1.601 788 HD21 ASN 113 HD21 ASN 113 15.061 -14.063 1.740 789 HD22 ASN 113 HD22 ASN 113 15.342 -15.753 1.980 790 H GLY 114 HN GLY 114 10.238 -15.913 -1.690 791 HA2 GLY 114 HA2 GLY 114 9.289 -17.919 -0.386 792 HA3 GLY 114 HA1 GLY 114 8.593 -16.662 0.627 793 H VAL 115 HN VAL 115 6.481 -16.626 0.212 794 HA VAL 115 HA VAL 115 5.634 -16.075 -2.516 795 HB VAL 115 HB VAL 115 5.498 -18.568 -2.209 796 HG11 VAL 115 HG11 VAL 115 4.909 -18.656 0.137 797 HG12 VAL 115 HG12 VAL 115 3.667 -19.456 -0.825 798 HG13 VAL 115 HG13 VAL 115 3.383 -17.836 -0.189 799 HG21 VAL 115 HG21 VAL 115 4.143 -17.508 -3.879 800 HG22 VAL 115 HG22 VAL 115 2.945 -17.032 -2.675 801 HG23 VAL 115 HG23 VAL 115 3.169 -18.738 -3.073 802 H ASN 116 HN ASN 116 3.594 -15.082 -2.633 803 HA ASN 116 HA ASN 116 2.684 -13.901 -0.111 804 HB2 ASN 116 HB2 ASN 116 2.425 -13.107 -2.998 805 HB3 ASN 116 HB1 ASN 116 1.382 -12.404 -1.773 806 HD21 ASN 116 HD21 ASN 116 4.661 -13.295 -1.046 807 HD22 ASN 116 HD22 ASN 116 5.289 -11.687 -0.922 808 H SER 117 HN SER 117 0.101 -13.250 -0.630 809 HA SER 117 HA SER 117 -1.287 -15.704 -0.398 810 HB2 SER 117 HB2 SER 117 -2.385 -12.942 -0.968 811 HB3 SER 117 HB1 SER 117 -3.314 -14.323 -0.386 812 HG SER 117 HG SER 117 -2.162 -14.267 1.531 813 H ASN 118 HN ASN 118 -0.499 -13.639 -3.047 814 HA ASN 118 HA ASN 118 -0.620 -13.868 -5.296 815 HB2 ASN 118 HB2 ASN 118 -1.411 -16.714 -4.653 816 HB3 ASN 118 HB1 ASN 118 -1.060 -16.118 -6.266 817 HD21 ASN 118 HD21 ASN 118 1.113 -14.399 -5.358 818 HD22 ASN 118 HD22 ASN 118 2.433 -15.457 -5.003 Start of MODEL 6 1 H1 HIS 6 HT1 HIS 6 -20.349 -7.066 -5.692 2 H2 HIS 6 HT2 HIS 6 -19.487 -8.140 -6.673 3 H3 HIS 6 HT3 HIS 6 -21.125 -7.836 -6.984 4 HA HIS 6 HA HIS 6 -19.795 -6.663 -8.572 5 HB2 HIS 6 HB2 HIS 6 -21.100 -4.932 -6.471 6 HB3 HIS 6 HB1 HIS 6 -20.466 -4.275 -7.973 7 HD1 HIS 6 HD1 HIS 6 -23.466 -5.664 -6.524 8 HD2 HIS 6 HD2 HIS 6 -21.792 -5.479 -10.321 9 HE1 HIS 6 HE1 HIS 6 -25.352 -6.132 -8.116 10 HE2 HIS 6 HE2 HIS 6 -24.353 -5.814 -10.405 11 H GLN 7 HN GLN 7 -19.177 -5.140 -5.395 12 HA GLN 7 HA GLN 7 -16.817 -3.848 -6.149 13 HB2 GLN 7 HB2 GLN 7 -17.894 -3.119 -4.176 14 HB3 GLN 7 HB1 GLN 7 -17.866 -4.733 -3.501 15 HG2 GLN 7 HG2 GLN 7 -15.512 -4.633 -3.094 16 HG3 GLN 7 HG1 GLN 7 -15.384 -3.108 -3.986 17 HE21 GLN 7 HE21 GLN 7 -16.590 -4.627 -1.081 18 HE22 GLN 7 HE22 GLN 7 -16.763 -3.173 -0.162 19 H ASP 8 HN ASP 8 -17.399 -7.132 -5.275 20 HA ASP 8 HA ASP 8 -14.873 -7.817 -4.348 21 HB2 ASP 8 HB2 ASP 8 -15.445 -10.121 -4.935 22 HB3 ASP 8 HB1 ASP 8 -16.796 -9.305 -4.157 23 H ASN 9 HN ASN 9 -16.053 -7.336 -7.596 24 HA ASN 9 HA ASN 9 -13.501 -8.103 -8.743 25 HB2 ASN 9 HB2 ASN 9 -16.041 -6.967 -9.890 26 HB3 ASN 9 HB1 ASN 9 -14.563 -7.063 -10.839 27 HD21 ASN 9 HD21 ASN 9 -17.090 -8.408 -11.282 28 HD22 ASN 9 HD22 ASN 9 -16.754 -10.102 -11.260 29 H ALA 10 HN ALA 10 -15.280 -5.247 -7.850 30 HA ALA 10 HA ALA 10 -13.741 -3.337 -9.233 31 HB1 ALA 10 HB1 ALA 10 -15.273 -2.982 -6.672 32 HB2 ALA 10 HB2 ALA 10 -15.926 -2.810 -8.306 33 HB3 ALA 10 HB3 ALA 10 -14.678 -1.694 -7.725 34 H ARG 11 HN ARG 11 -13.641 -4.425 -5.878 35 HA ARG 11 HA ARG 11 -11.694 -2.737 -4.890 36 HB2 ARG 11 HB2 ARG 11 -11.219 -4.463 -3.231 37 HB3 ARG 11 HB1 ARG 11 -12.958 -4.281 -3.468 38 HG2 ARG 11 HG2 ARG 11 -12.762 -6.229 -5.103 39 HG3 ARG 11 HG1 ARG 11 -11.165 -6.494 -4.407 40 HD2 ARG 11 HD2 ARG 11 -12.271 -6.578 -2.163 41 HD3 ARG 11 HD1 ARG 11 -13.812 -6.568 -3.032 42 HE ARG 11 HE ARG 11 -12.223 -8.610 -4.101 43 HH11 ARG 11 HH11 ARG 11 -13.895 -7.853 -1.129 44 HH12 ARG 11 HH12 ARG 11 -14.169 -9.514 -0.708 45 HH21 ARG 11 HH21 ARG 11 -12.594 -10.803 -3.555 46 HH22 ARG 11 HH22 ARG 11 -13.442 -11.186 -2.090 47 H LYS 12 HN LYS 12 -11.287 -5.936 -6.321 48 HA LYS 12 HA LYS 12 -8.583 -6.135 -6.492 49 HB2 LYS 12 HB2 LYS 12 -9.990 -7.888 -7.392 50 HB3 LYS 12 HB1 LYS 12 -10.611 -6.796 -8.630 51 HG2 LYS 12 HG2 LYS 12 -8.678 -6.867 -9.869 52 HG3 LYS 12 HG1 LYS 12 -7.681 -7.322 -8.490 53 HD2 LYS 12 HD2 LYS 12 -9.768 -9.212 -9.453 54 HD3 LYS 12 HD1 LYS 12 -8.254 -9.060 -10.351 55 HE2 LYS 12 HE2 LYS 12 -7.776 -10.754 -8.851 56 HE3 LYS 12 HE1 LYS 12 -7.131 -9.326 -8.043 57 HZ1 LYS 12 HZ1 LYS 12 -9.028 -9.244 -6.629 58 HZ2 LYS 12 HZ2 LYS 12 -8.436 -10.827 -6.587 59 HZ3 LYS 12 HZ3 LYS 12 -9.816 -10.465 -7.492 60 H SER 13 HN SER 13 -10.654 -4.487 -8.898 61 HA SER 13 HA SER 13 -8.377 -3.732 -10.452 62 HB2 SER 13 HB2 SER 13 -11.279 -2.886 -10.563 63 HB3 SER 13 HB1 SER 13 -10.077 -2.493 -11.797 64 HG SER 13 HG SER 13 -9.798 -4.764 -12.094 65 H ARG 14 HN ARG 14 -10.635 -1.936 -8.380 66 HA ARG 14 HA ARG 14 -9.581 0.612 -8.866 67 HB2 ARG 14 HB2 ARG 14 -10.774 1.307 -6.832 68 HB3 ARG 14 HB1 ARG 14 -11.792 0.308 -7.864 69 HG2 ARG 14 HG2 ARG 14 -12.207 -0.996 -6.131 70 HG3 ARG 14 HG1 ARG 14 -10.495 -1.437 -6.113 71 HD2 ARG 14 HD2 ARG 14 -11.610 -0.509 -3.975 72 HD3 ARG 14 HD1 ARG 14 -9.992 0.021 -4.411 73 HE ARG 14 HE ARG 14 -11.384 1.973 -5.497 74 HH11 ARG 14 HH11 ARG 14 -12.033 0.370 -2.457 75 HH12 ARG 14 HH12 ARG 14 -12.674 1.792 -1.703 76 HH21 ARG 14 HH21 ARG 14 -12.199 3.856 -4.492 77 HH22 ARG 14 HH22 ARG 14 -12.782 3.763 -2.857 78 H ILE 15 HN ILE 15 -8.666 -1.870 -6.540 79 HA ILE 15 HA ILE 15 -6.820 -0.098 -5.239 80 HB ILE 15 HB ILE 15 -7.154 -3.082 -5.030 81 HG12 ILE 15 HG12 ILE 15 -7.997 -0.895 -3.098 82 HG13 ILE 15 HG11 ILE 15 -9.086 -1.646 -4.258 83 HG21 ILE 15 HG21 ILE 15 -4.888 -2.262 -4.453 84 HG22 ILE 15 HG22 ILE 15 -5.744 -2.904 -3.047 85 HG23 ILE 15 HG23 ILE 15 -5.608 -1.158 -3.277 86 HD11 ILE 15 HD11 ILE 15 -7.592 -3.262 -2.240 87 HD12 ILE 15 HD12 ILE 15 -9.044 -3.695 -3.157 88 HD13 ILE 15 HD13 ILE 15 -9.129 -2.483 -1.863 89 H GLN 16 HN GLN 16 -6.691 -2.958 -7.333 90 HA GLN 16 HA GLN 16 -4.031 -3.398 -7.666 91 HB2 GLN 16 HB2 GLN 16 -6.443 -3.919 -9.063 92 HB3 GLN 16 HB1 GLN 16 -5.201 -3.508 -10.233 93 HG2 GLN 16 HG2 GLN 16 -3.754 -5.248 -9.128 94 HG3 GLN 16 HG1 GLN 16 -5.187 -5.719 -8.209 95 HE21 GLN 16 HE21 GLN 16 -6.930 -5.090 -10.502 96 HE22 GLN 16 HE22 GLN 16 -6.749 -6.411 -11.597 97 H SER 17 HN SER 17 -5.999 -1.056 -9.453 98 HA SER 17 HA SER 17 -4.172 -0.085 -11.252 99 HB2 SER 17 HB2 SER 17 -6.513 0.591 -11.251 100 HB3 SER 17 HB1 SER 17 -6.301 1.423 -9.713 101 HG SER 17 HG SER 17 -5.058 2.955 -10.702 102 H GLU 18 HN GLU 18 -4.760 1.130 -7.976 103 HA GLU 18 HA GLU 18 -2.485 2.892 -8.189 104 HB2 GLU 18 HB2 GLU 18 -4.081 2.512 -5.705 105 HB3 GLU 18 HB1 GLU 18 -3.250 3.942 -6.287 106 HG2 GLU 18 HG2 GLU 18 -5.709 2.751 -7.516 107 HG3 GLU 18 HG1 GLU 18 -5.667 4.134 -6.433 108 H HIS 19 HN HIS 19 -3.277 -0.180 -6.817 109 HA HIS 19 HA HIS 19 -1.377 -0.552 -4.855 110 HB2 HIS 19 HB2 HIS 19 -2.674 -2.428 -4.995 111 HB3 HIS 19 HB1 HIS 19 -2.851 -2.317 -6.732 112 HD1 HIS 19 HD1 HIS 19 -0.168 -3.410 -4.228 113 HD2 HIS 19 HD2 HIS 19 -1.569 -4.260 -8.042 114 HE1 HIS 19 HE1 HIS 19 1.164 -5.390 -5.008 115 HE2 HIS 19 HE2 HIS 19 0.220 -5.963 -7.269 116 H ARG 20 HN ARG 20 -0.976 -1.065 -8.358 117 HA ARG 20 HA ARG 20 1.736 -1.683 -8.368 118 HB2 ARG 20 HB2 ARG 20 0.177 -0.071 -10.410 119 HB3 ARG 20 HB1 ARG 20 1.722 -0.862 -10.696 120 HG2 ARG 20 HG2 ARG 20 -0.317 -2.663 -9.651 121 HG3 ARG 20 HG1 ARG 20 -0.748 -1.934 -11.200 122 HD2 ARG 20 HD2 ARG 20 0.481 -4.118 -11.346 123 HD3 ARG 20 HD1 ARG 20 1.206 -2.787 -12.242 124 HE ARG 20 HE ARG 20 2.825 -2.587 -10.413 125 HH11 ARG 20 HH11 ARG 20 1.018 -5.578 -10.635 126 HH12 ARG 20 HH12 ARG 20 2.253 -6.527 -9.878 127 HH21 ARG 20 HH21 ARG 20 4.454 -3.829 -9.421 128 HH22 ARG 20 HH22 ARG 20 4.209 -5.530 -9.179 129 H GLU 21 HN GLU 21 0.138 1.470 -8.369 130 HA GLU 21 HA GLU 21 2.383 3.121 -8.599 131 HB2 GLU 21 HB2 GLU 21 -0.078 3.737 -6.961 132 HB3 GLU 21 HB1 GLU 21 0.968 4.885 -7.784 133 HG2 GLU 21 HG2 GLU 21 -0.814 2.868 -9.115 134 HG3 GLU 21 HG1 GLU 21 -1.189 4.582 -8.916 135 H LEU 22 HN LEU 22 0.705 1.973 -5.662 136 HA LEU 22 HA LEU 22 2.307 3.350 -3.835 137 HB2 LEU 22 HB2 LEU 22 0.642 0.873 -3.556 138 HB3 LEU 22 HB1 LEU 22 1.630 1.441 -2.228 139 HG LEU 22 HG LEU 22 -0.412 2.353 -1.718 140 HD11 LEU 22 HD11 LEU 22 1.396 4.067 -1.877 141 HD12 LEU 22 HD12 LEU 22 -0.234 4.715 -2.034 142 HD13 LEU 22 HD13 LEU 22 0.772 4.512 -3.466 143 HD21 LEU 22 HD21 LEU 22 -1.956 3.316 -3.312 144 HD22 LEU 22 HD22 LEU 22 -1.540 1.664 -3.764 145 HD23 LEU 22 HD23 LEU 22 -0.817 3.022 -4.624 146 H VAL 23 HN VAL 23 2.780 0.148 -5.270 147 HA VAL 23 HA VAL 23 5.042 -0.325 -3.573 148 HB VAL 23 HB VAL 23 4.724 -2.414 -4.069 149 HG11 VAL 23 HG11 VAL 23 2.372 -1.720 -4.509 150 HG12 VAL 23 HG12 VAL 23 2.863 -3.198 -5.337 151 HG13 VAL 23 HG13 VAL 23 2.769 -1.682 -6.228 152 HG21 VAL 23 HG21 VAL 23 5.142 -3.317 -6.312 153 HG22 VAL 23 HG22 VAL 23 6.402 -2.219 -5.727 154 HG23 VAL 23 HG23 VAL 23 5.212 -1.659 -6.918 155 H SER 24 HN SER 24 4.505 0.777 -6.871 156 HA SER 24 HA SER 24 7.163 0.998 -7.698 157 HB2 SER 24 HB2 SER 24 5.184 1.521 -9.122 158 HB3 SER 24 HB1 SER 24 4.911 2.978 -8.168 159 HG SER 24 HG SER 24 6.344 3.940 -9.338 160 H ALA 25 HN ALA 25 5.248 2.770 -5.427 161 HA ALA 25 HA ALA 25 7.170 4.897 -5.020 162 HB1 ALA 25 HB1 ALA 25 4.936 4.143 -3.166 163 HB2 ALA 25 HB2 ALA 25 4.652 5.065 -4.649 164 HB3 ALA 25 HB3 ALA 25 5.702 5.720 -3.376 165 H ILE 26 HN ILE 26 6.298 1.831 -3.429 166 HA ILE 26 HA ILE 26 7.950 2.131 -1.207 167 HB ILE 26 HB ILE 26 6.628 -0.157 -2.528 168 HG12 ILE 26 HG12 ILE 26 7.177 0.724 0.293 169 HG13 ILE 26 HG11 ILE 26 5.661 0.855 -0.595 170 HG21 ILE 26 HG21 ILE 26 9.055 -0.649 -0.815 171 HG22 ILE 26 HG22 ILE 26 8.933 -1.002 -2.539 172 HG23 ILE 26 HG23 ILE 26 7.920 -1.873 -1.382 173 HD11 ILE 26 HD11 ILE 26 5.448 -1.538 -0.614 174 HD12 ILE 26 HD12 ILE 26 5.625 -0.946 1.049 175 HD13 ILE 26 HD13 ILE 26 6.990 -1.708 0.222 176 H GLN 27 HN GLN 27 8.587 0.756 -4.390 177 HA GLN 27 HA GLN 27 11.271 0.090 -3.987 178 HB2 GLN 27 HB2 GLN 27 9.874 0.955 -6.529 179 HB3 GLN 27 HB1 GLN 27 11.418 0.108 -6.452 180 HG2 GLN 27 HG2 GLN 27 10.285 -1.785 -5.373 181 HG3 GLN 27 HG1 GLN 27 8.759 -0.928 -5.512 182 HE21 GLN 27 HE21 GLN 27 11.262 -2.603 -7.231 183 HE22 GLN 27 HE22 GLN 27 10.388 -2.818 -8.708 184 H SER 28 HN SER 28 9.708 3.100 -4.766 185 HA SER 28 HA SER 28 12.061 4.592 -5.346 186 HB2 SER 28 HB2 SER 28 9.244 5.379 -4.595 187 HB3 SER 28 HB1 SER 28 10.476 6.530 -5.083 188 HG SER 28 HG SER 28 9.282 4.466 -6.606 189 H TYR 29 HN TYR 29 9.846 4.603 -2.539 190 HA TYR 29 HA TYR 29 11.237 6.191 -0.767 191 HB2 TYR 29 HB2 TYR 29 8.954 5.239 -0.463 192 HB3 TYR 29 HB1 TYR 29 9.675 3.671 -0.145 193 HD1 TYR 29 HD1 TYR 29 7.765 4.729 1.675 194 HD2 TYR 29 HD2 TYR 29 11.965 5.483 1.563 195 HE1 TYR 29 HE1 TYR 29 7.737 5.182 4.090 196 HE2 TYR 29 HE2 TYR 29 11.929 5.940 3.974 197 HH TYR 29 HH TYR 29 10.340 6.647 5.703 198 H ILE 30 HN ILE 30 11.413 2.661 -1.074 199 HA ILE 30 HA ILE 30 13.355 2.276 0.902 200 HB ILE 30 HB ILE 30 12.538 0.580 -1.444 201 HG12 ILE 30 HG12 ILE 30 11.788 0.610 1.484 202 HG13 ILE 30 HG11 ILE 30 10.764 1.051 0.129 203 HG21 ILE 30 HG21 ILE 30 14.297 -0.112 0.897 204 HG22 ILE 30 HG22 ILE 30 14.735 -0.120 -0.811 205 HG23 ILE 30 HG23 ILE 30 13.574 -1.296 -0.192 206 HD11 ILE 30 HD11 ILE 30 10.131 -1.093 0.922 207 HD12 ILE 30 HD12 ILE 30 11.791 -1.686 0.795 208 HD13 ILE 30 HD13 ILE 30 10.886 -1.274 -0.665 209 H GLY 31 HN GLY 31 13.650 2.751 -2.590 210 HA2 GLY 31 HA2 GLY 31 16.461 2.267 -2.671 211 HA3 GLY 31 HA1 GLY 31 15.510 3.067 -3.916 212 H ALA 32 HN ALA 32 14.535 4.864 -1.643 213 HA ALA 32 HA ALA 32 16.613 6.872 -1.907 214 HB1 ALA 32 HB1 ALA 32 13.954 7.073 -0.520 215 HB2 ALA 32 HB2 ALA 32 14.198 7.394 -2.238 216 HB3 ALA 32 HB3 ALA 32 14.995 8.402 -1.029 217 H GLN 33 HN GLN 33 15.337 4.666 0.444 218 HA GLN 33 HA GLN 33 15.951 6.007 2.784 219 HB2 GLN 33 HB2 GLN 33 15.766 3.091 2.156 220 HB3 GLN 33 HB1 GLN 33 16.118 3.689 3.772 221 HG2 GLN 33 HG2 GLN 33 13.818 4.962 2.540 222 HG3 GLN 33 HG1 GLN 33 13.640 3.230 2.742 223 HE21 GLN 33 HE21 GLN 33 15.525 5.314 4.827 224 HE22 GLN 33 HE22 GLN 33 14.529 5.139 6.224 225 H ASP 34 HN ASP 34 17.656 5.704 4.270 226 HA ASP 34 HA ASP 34 20.276 5.531 3.251 227 HB2 ASP 34 HB2 ASP 34 19.495 6.675 5.368 228 HB3 ASP 34 HB1 ASP 34 19.441 5.080 6.098 229 H ASP 35 HN ASP 35 18.081 3.323 4.701 230 HA ASP 35 HA ASP 35 19.816 1.114 3.904 231 HB2 ASP 35 HB2 ASP 35 18.273 -0.174 5.601 232 HB3 ASP 35 HB1 ASP 35 19.701 0.676 6.135 233 HA PRO 36 HA PRO 36 16.173 0.417 1.277 234 HB2 PRO 36 HB2 PRO 36 17.535 -0.549 -0.780 235 HB3 PRO 36 HB1 PRO 36 17.525 1.187 -0.468 236 HG2 PRO 36 HG2 PRO 36 19.584 -0.829 0.389 237 HG3 PRO 36 HG1 PRO 36 19.845 0.667 -0.527 238 HD2 PRO 36 HD2 PRO 36 20.193 0.618 2.116 239 HD3 PRO 36 HD1 PRO 36 19.435 2.018 1.324 240 H THR 37 HN THR 37 18.421 -1.150 2.968 241 HA THR 37 HA THR 37 17.880 -3.841 2.106 242 HB THR 37 HB THR 37 19.651 -4.458 3.616 243 HG1 THR 37 HG1 THR 37 20.345 -3.123 5.231 244 HG21 THR 37 HG21 THR 37 20.363 -3.307 1.547 245 HG22 THR 37 HG22 THR 37 21.476 -3.011 2.885 246 HG23 THR 37 HG23 THR 37 20.313 -1.767 2.413 247 H ASN 38 HN ASN 38 17.088 -1.655 4.636 248 HA ASN 38 HA ASN 38 14.913 -3.305 5.530 249 HB2 ASN 38 HB2 ASN 38 16.984 -4.132 6.698 250 HB3 ASN 38 HB1 ASN 38 17.071 -2.568 7.509 251 HD21 ASN 38 HD21 ASN 38 16.717 -5.231 8.646 252 HD22 ASN 38 HD22 ASN 38 15.233 -5.185 9.531 253 HA PRO 39 HA PRO 39 14.480 1.379 5.802 254 HB2 PRO 39 HB2 PRO 39 12.161 1.401 4.336 255 HB3 PRO 39 HB1 PRO 39 13.776 1.698 3.691 256 HG2 PRO 39 HG2 PRO 39 12.150 -0.785 3.616 257 HG3 PRO 39 HG1 PRO 39 13.210 -0.100 2.393 258 HD2 PRO 39 HD2 PRO 39 13.953 -2.174 3.894 259 HD3 PRO 39 HD1 PRO 39 15.099 -0.957 3.334 260 H SER 40 HN SER 40 12.388 2.537 6.374 261 HA SER 40 HA SER 40 11.419 1.380 8.804 262 HB2 SER 40 HB2 SER 40 10.609 3.926 7.378 263 HB3 SER 40 HB1 SER 40 10.199 3.509 9.041 264 HG SER 40 HG SER 40 12.889 3.359 8.427 265 H GLU 41 HN GLU 41 8.943 1.749 9.256 266 HA GLU 41 HA GLU 41 7.432 0.091 7.529 267 HB2 GLU 41 HB2 GLU 41 6.709 0.055 9.750 268 HB3 GLU 41 HB1 GLU 41 6.822 1.796 9.918 269 HG2 GLU 41 HG2 GLU 41 4.892 2.124 8.621 270 HG3 GLU 41 HG1 GLU 41 4.793 0.419 8.193 271 H ILE 42 HN ILE 42 6.378 0.581 5.807 272 HA ILE 42 HA ILE 42 6.530 3.335 4.908 273 HB ILE 42 HB ILE 42 6.310 0.699 3.502 274 HG12 ILE 42 HG12 ILE 42 8.368 2.872 3.762 275 HG13 ILE 42 HG11 ILE 42 8.523 1.158 4.123 276 HG21 ILE 42 HG21 ILE 42 6.159 3.441 2.275 277 HG22 ILE 42 HG22 ILE 42 4.834 2.282 2.392 278 HG23 ILE 42 HG23 ILE 42 6.245 1.913 1.405 279 HD11 ILE 42 HD11 ILE 42 9.744 1.763 2.135 280 HD12 ILE 42 HD12 ILE 42 8.257 2.369 1.401 281 HD13 ILE 42 HD13 ILE 42 8.430 0.646 1.761 282 H THR 43 HN THR 43 4.774 4.526 4.507 283 HA THR 43 HA THR 43 2.189 3.164 4.289 284 HB THR 43 HB THR 43 1.107 4.975 5.571 285 HG1 THR 43 HG1 THR 43 2.418 6.392 6.777 286 HG21 THR 43 HG21 THR 43 1.816 4.224 7.790 287 HG22 THR 43 HG22 THR 43 3.285 3.535 7.093 288 HG23 THR 43 HG23 THR 43 1.707 2.861 6.673 289 H LEU 44 HN LEU 44 0.496 4.681 3.465 290 HA LEU 44 HA LEU 44 1.326 5.546 0.932 291 HB2 LEU 44 HB2 LEU 44 -1.190 6.277 2.363 292 HB3 LEU 44 HB1 LEU 44 -0.924 6.273 0.649 293 HG LEU 44 HG LEU 44 -1.222 3.957 2.481 294 HD11 LEU 44 HD11 LEU 44 -3.156 3.578 1.445 295 HD12 LEU 44 HD12 LEU 44 -2.521 4.034 -0.133 296 HD13 LEU 44 HD13 LEU 44 -3.033 5.281 1.005 297 HD21 LEU 44 HD21 LEU 44 -0.640 2.519 0.531 298 HD22 LEU 44 HD22 LEU 44 0.718 3.408 1.212 299 HD23 LEU 44 HD23 LEU 44 -0.040 3.964 -0.278 300 H ALA 45 HN ALA 45 0.635 7.177 3.903 301 HA ALA 45 HA ALA 45 0.773 9.825 2.985 302 HB1 ALA 45 HB1 ALA 45 -0.260 9.224 5.093 303 HB2 ALA 45 HB2 ALA 45 1.058 10.375 5.372 304 HB3 ALA 45 HB3 ALA 45 1.302 8.657 5.719 305 H LYS 46 HN LYS 46 3.210 7.492 3.864 306 HA LYS 46 HA LYS 46 5.401 9.363 3.857 307 HB2 LYS 46 HB2 LYS 46 5.223 6.381 3.966 308 HB3 LYS 46 HB1 LYS 46 6.732 7.250 4.020 309 HG2 LYS 46 HG2 LYS 46 6.109 8.298 6.083 310 HG3 LYS 46 HG1 LYS 46 4.505 7.562 6.001 311 HD2 LYS 46 HD2 LYS 46 5.653 5.327 5.995 312 HD3 LYS 46 HD1 LYS 46 7.155 6.185 6.365 313 HE2 LYS 46 HE2 LYS 46 4.625 6.268 7.988 314 HE3 LYS 46 HE1 LYS 46 6.062 5.298 8.360 315 HZ1 LYS 46 HZ1 LYS 46 7.337 7.361 8.552 316 HZ2 LYS 46 HZ2 LYS 46 6.051 7.333 9.650 317 HZ3 LYS 46 HZ3 LYS 46 5.942 8.268 8.246 318 H LEU 47 HN LEU 47 3.883 7.084 1.724 319 HA LEU 47 HA LEU 47 5.964 7.029 -0.208 320 HB2 LEU 47 HB2 LEU 47 3.106 6.105 -0.167 321 HB3 LEU 47 HB1 LEU 47 4.115 5.944 -1.595 322 HG LEU 47 HG LEU 47 4.639 4.705 1.102 323 HD11 LEU 47 HD11 LEU 47 2.794 3.653 -0.079 324 HD12 LEU 47 HD12 LEU 47 4.202 2.592 -0.047 325 HD13 LEU 47 HD13 LEU 47 3.798 3.476 -1.518 326 HD21 LEU 47 HD21 LEU 47 6.726 5.269 0.009 327 HD22 LEU 47 HD22 LEU 47 6.180 4.509 -1.483 328 HD23 LEU 47 HD23 LEU 47 6.470 3.526 -0.050 329 H ALA 48 HN ALA 48 3.682 9.324 0.580 330 HA ALA 48 HA ALA 48 2.578 10.315 -1.688 331 HB1 ALA 48 HB1 ALA 48 2.339 12.391 -0.621 332 HB2 ALA 48 HB2 ALA 48 3.787 12.150 0.349 333 HB3 ALA 48 HB3 ALA 48 2.343 11.189 0.672 334 HA PRO 49 HA PRO 49 6.453 13.061 -2.730 335 HB2 PRO 49 HB2 PRO 49 8.621 11.558 -1.384 336 HB3 PRO 49 HB1 PRO 49 8.356 13.294 -1.480 337 HG2 PRO 49 HG2 PRO 49 7.916 12.046 0.795 338 HG3 PRO 49 HG1 PRO 49 6.753 13.265 0.227 339 HD2 PRO 49 HD2 PRO 49 6.630 10.284 -0.050 340 HD3 PRO 49 HD1 PRO 49 5.389 11.386 0.571 341 H TYR 50 HN TYR 50 6.449 9.635 -2.542 342 HA TYR 50 HA TYR 50 8.301 9.353 -4.792 343 HB2 TYR 50 HB2 TYR 50 7.167 7.211 -2.991 344 HB3 TYR 50 HB1 TYR 50 8.485 7.039 -4.142 345 HD1 TYR 50 HD1 TYR 50 10.570 8.525 -3.746 346 HD2 TYR 50 HD2 TYR 50 7.625 7.745 -0.788 347 HE1 TYR 50 HE1 TYR 50 12.166 9.189 -2.000 348 HE2 TYR 50 HE2 TYR 50 9.212 8.406 0.977 349 HH TYR 50 HH TYR 50 11.736 8.527 1.241 350 H MET 51 HN MET 51 5.098 9.744 -4.316 351 HA MET 51 HA MET 51 4.253 7.902 -6.417 352 HB2 MET 51 HB2 MET 51 2.608 9.951 -4.936 353 HB3 MET 51 HB1 MET 51 2.002 8.667 -5.971 354 HG2 MET 51 HG2 MET 51 3.409 8.304 -3.348 355 HG3 MET 51 HG1 MET 51 1.676 8.165 -3.634 356 HE1 MET 51 HE1 MET 51 0.576 6.086 -5.015 357 HE2 MET 51 HE2 MET 51 1.599 4.992 -5.948 358 HE3 MET 51 HE3 MET 51 1.534 6.706 -6.361 359 H SER 52 HN SER 52 2.825 8.873 -8.132 360 HA SER 52 HA SER 52 3.385 11.642 -8.820 361 HB2 SER 52 HB2 SER 52 4.171 9.400 -10.704 362 HB3 SER 52 HB1 SER 52 4.310 11.129 -11.023 363 HG SER 52 HG SER 52 5.557 10.727 -8.757 364 H LYS 53 HN LYS 53 1.772 8.628 -9.476 365 HA LYS 53 HA LYS 53 0.203 9.119 -11.592 366 HB2 LYS 53 HB2 LYS 53 -1.512 7.635 -10.291 367 HB3 LYS 53 HB1 LYS 53 -0.003 6.974 -10.874 368 HG2 LYS 53 HG2 LYS 53 -0.053 6.130 -8.760 369 HG3 LYS 53 HG1 LYS 53 0.851 7.601 -8.478 370 HD2 LYS 53 HD2 LYS 53 -0.669 7.451 -6.716 371 HD3 LYS 53 HD1 LYS 53 -1.348 8.659 -7.799 372 HE2 LYS 53 HE2 LYS 53 -2.227 5.779 -7.478 373 HE3 LYS 53 HE1 LYS 53 -3.116 7.225 -7.000 374 HZ1 LYS 53 HZ1 LYS 53 -2.520 6.345 -9.777 375 HZ2 LYS 53 HZ2 LYS 53 -3.229 7.832 -9.390 376 HZ3 LYS 53 HZ3 LYS 53 -4.033 6.388 -9.016 377 H ASN 54 HN ASN 54 -0.639 9.960 -8.362 378 HA ASN 54 HA ASN 54 -2.661 11.845 -9.192 379 HB2 ASN 54 HB2 ASN 54 -3.174 9.147 -8.026 380 HB3 ASN 54 HB1 ASN 54 -4.162 10.496 -7.505 381 HD21 ASN 54 HD21 ASN 54 -5.624 11.423 -8.958 382 HD22 ASN 54 HD22 ASN 54 -6.042 10.656 -10.450 383 H ALA 55 HN ALA 55 -0.255 12.118 -7.794 384 HA ALA 55 HA ALA 55 -1.061 12.630 -5.054 385 HB1 ALA 55 HB1 ALA 55 0.709 11.178 -4.171 386 HB2 ALA 55 HB2 ALA 55 1.008 10.594 -5.808 387 HB3 ALA 55 HB3 ALA 55 -0.547 10.291 -5.036 388 H LYS 56 HN LYS 56 0.083 14.211 -4.124 389 HA LYS 56 HA LYS 56 2.748 14.833 -5.112 390 HB2 LYS 56 HB2 LYS 56 0.575 16.872 -4.622 391 HB3 LYS 56 HB1 LYS 56 2.267 17.269 -4.884 392 HG2 LYS 56 HG2 LYS 56 0.578 15.772 -6.864 393 HG3 LYS 56 HG1 LYS 56 0.823 17.520 -6.890 394 HD2 LYS 56 HD2 LYS 56 3.030 17.339 -7.488 395 HD3 LYS 56 HD1 LYS 56 3.204 15.740 -6.771 396 HE2 LYS 56 HE2 LYS 56 3.288 15.655 -9.217 397 HE3 LYS 56 HE1 LYS 56 1.915 14.760 -8.571 398 HZ1 LYS 56 HZ1 LYS 56 1.307 16.091 -10.496 399 HZ2 LYS 56 HZ2 LYS 56 1.795 17.502 -9.706 400 HZ3 LYS 56 HZ3 LYS 56 0.482 16.614 -9.117 401 H ASN 57 HN ASN 57 0.327 15.439 -2.595 402 HA ASN 57 HA ASN 57 2.474 15.245 -0.599 403 HB2 ASN 57 HB2 ASN 57 -0.095 16.835 -0.453 404 HB3 ASN 57 HB1 ASN 57 1.009 16.603 0.896 405 HD21 ASN 57 HD21 ASN 57 0.497 18.167 -2.159 406 HD22 ASN 57 HD22 ASN 57 1.799 19.297 -2.025 407 H GLU 58 HN GLU 58 1.184 14.816 1.637 408 HA GLU 58 HA GLU 58 0.343 12.141 1.469 409 HB2 GLU 58 HB2 GLU 58 0.890 12.277 3.618 410 HB3 GLU 58 HB1 GLU 58 0.940 14.029 3.503 411 HG2 GLU 58 HG2 GLU 58 -1.418 14.150 3.974 412 HG3 GLU 58 HG1 GLU 58 -1.495 12.391 4.085 413 H ASP 59 HN ASP 59 -1.440 15.136 1.913 414 HA ASP 59 HA ASP 59 -4.013 13.932 1.985 415 HB2 ASP 59 HB2 ASP 59 -3.605 16.131 2.928 416 HB3 ASP 59 HB1 ASP 59 -3.150 16.746 1.353 417 H GLY 60 HN GLY 60 -1.796 14.616 -0.463 418 HA2 GLY 60 HA2 GLY 60 -3.696 14.702 -2.629 419 HA3 GLY 60 HA1 GLY 60 -1.946 14.621 -2.773 420 H ILE 61 HN ILE 61 -1.216 12.382 -1.571 421 HA ILE 61 HA ILE 61 -1.840 10.458 -3.501 422 HB ILE 61 HB ILE 61 0.330 10.438 -2.551 423 HG12 ILE 61 HG12 ILE 61 0.615 8.190 -1.919 424 HG13 ILE 61 HG11 ILE 61 -1.037 8.062 -1.319 425 HG21 ILE 61 HG21 ILE 61 -0.904 10.011 0.151 426 HG22 ILE 61 HG22 ILE 61 -0.134 11.489 -0.419 427 HG23 ILE 61 HG23 ILE 61 0.819 10.021 -0.210 428 HD11 ILE 61 HD11 ILE 61 -0.376 8.615 -4.203 429 HD12 ILE 61 HD12 ILE 61 -1.924 8.113 -3.505 430 HD13 ILE 61 HD13 ILE 61 -0.565 6.986 -3.557 431 H VAL 62 HN VAL 62 -2.457 10.492 -0.068 432 HA VAL 62 HA VAL 62 -3.622 7.945 0.014 433 HB VAL 62 HB VAL 62 -3.738 10.254 1.945 434 HG11 VAL 62 HG11 VAL 62 -5.525 8.605 2.319 435 HG12 VAL 62 HG12 VAL 62 -4.338 8.675 3.633 436 HG13 VAL 62 HG13 VAL 62 -4.281 7.353 2.466 437 HG21 VAL 62 HG21 VAL 62 -1.683 8.515 1.126 438 HG22 VAL 62 HG22 VAL 62 -2.142 8.091 2.783 439 HG23 VAL 62 HG23 VAL 62 -1.647 9.746 2.396 440 H ASN 63 HN ASN 63 -4.918 11.133 -0.302 441 HA ASN 63 HA ASN 63 -7.649 10.394 0.063 442 HB2 ASN 63 HB2 ASN 63 -6.763 12.653 0.526 443 HB3 ASN 63 HB1 ASN 63 -6.482 12.883 -1.193 444 HD21 ASN 63 HD21 ASN 63 -7.832 14.605 -1.395 445 HD22 ASN 63 HD22 ASN 63 -9.553 14.488 -1.252 446 H SER 64 HN SER 64 -5.481 10.478 -2.650 447 HA SER 64 HA SER 64 -7.644 10.353 -4.596 448 HB2 SER 64 HB2 SER 64 -5.331 11.535 -4.889 449 HB3 SER 64 HB1 SER 64 -4.749 9.909 -5.273 450 HG SER 64 HG SER 64 -6.775 10.007 -6.743 451 H LEU 65 HN LEU 65 -5.809 8.273 -2.697 452 HA LEU 65 HA LEU 65 -5.973 5.971 -4.434 453 HB2 LEU 65 HB2 LEU 65 -5.073 6.344 -1.589 454 HB3 LEU 65 HB1 LEU 65 -5.104 4.786 -2.392 455 HG LEU 65 HG LEU 65 -3.481 7.155 -3.270 456 HD11 LEU 65 HD11 LEU 65 -2.612 4.618 -1.915 457 HD12 LEU 65 HD12 LEU 65 -2.830 6.159 -1.089 458 HD13 LEU 65 HD13 LEU 65 -1.606 5.997 -2.343 459 HD21 LEU 65 HD21 LEU 65 -3.556 4.288 -4.183 460 HD22 LEU 65 HD22 LEU 65 -2.353 5.481 -4.682 461 HD23 LEU 65 HD23 LEU 65 -4.049 5.703 -5.116 462 H ALA 66 HN ALA 66 -7.008 3.989 -3.748 463 HA ALA 66 HA ALA 66 -9.631 4.050 -2.947 464 HB1 ALA 66 HB1 ALA 66 -7.632 1.883 -2.313 465 HB2 ALA 66 HB2 ALA 66 -8.549 2.022 -3.820 466 HB3 ALA 66 HB3 ALA 66 -9.389 1.715 -2.292 467 H LYS 67 HN LYS 67 -10.702 4.002 -1.037 468 HA LYS 67 HA LYS 67 -9.064 4.537 1.327 469 HB2 LYS 67 HB2 LYS 67 -11.897 5.443 0.845 470 HB3 LYS 67 HB1 LYS 67 -10.857 5.899 2.182 471 HG2 LYS 67 HG2 LYS 67 -10.611 6.695 -0.698 472 HG3 LYS 67 HG1 LYS 67 -10.929 7.728 0.691 473 HD2 LYS 67 HD2 LYS 67 -8.380 6.166 0.458 474 HD3 LYS 67 HD1 LYS 67 -8.567 7.724 -0.335 475 HE2 LYS 67 HE2 LYS 67 -8.787 7.172 2.622 476 HE3 LYS 67 HE1 LYS 67 -7.452 7.995 1.804 477 HZ1 LYS 67 HZ1 LYS 67 -8.829 9.651 2.742 478 HZ2 LYS 67 HZ2 LYS 67 -10.243 8.948 2.144 479 HZ3 LYS 67 HZ3 LYS 67 -9.150 9.675 1.083 480 H ASP 68 HN ASP 68 -9.453 3.431 3.180 481 HA ASP 68 HA ASP 68 -10.852 0.942 2.858 482 HB2 ASP 68 HB2 ASP 68 -8.729 1.001 4.063 483 HB3 ASP 68 HB1 ASP 68 -9.396 2.119 5.240 484 H LYS 69 HN LYS 69 -12.751 0.300 4.025 485 HA LYS 69 HA LYS 69 -14.609 2.405 3.920 486 HB2 LYS 69 HB2 LYS 69 -15.176 0.109 3.342 487 HB3 LYS 69 HB1 LYS 69 -14.950 -0.361 5.013 488 HG2 LYS 69 HG2 LYS 69 -17.267 -0.207 4.739 489 HG3 LYS 69 HG1 LYS 69 -16.808 1.274 5.577 490 HD2 LYS 69 HD2 LYS 69 -16.882 1.348 2.612 491 HD3 LYS 69 HD1 LYS 69 -18.424 1.273 3.463 492 HE2 LYS 69 HE2 LYS 69 -16.269 3.307 3.999 493 HE3 LYS 69 HE1 LYS 69 -17.665 3.586 2.963 494 HZ1 LYS 69 HZ1 LYS 69 -17.696 3.014 5.876 495 HZ2 LYS 69 HZ2 LYS 69 -19.081 3.119 4.913 496 HZ3 LYS 69 HZ3 LYS 69 -18.094 4.475 5.123 497 H SER 70 HN SER 70 -13.404 0.544 6.691 498 HA SER 70 HA SER 70 -14.848 2.412 8.440 499 HB2 SER 70 HB2 SER 70 -14.559 0.593 10.179 500 HB3 SER 70 HB1 SER 70 -15.620 0.200 8.824 501 HG SER 70 HG SER 70 -13.705 -0.827 7.866 502 H GLY 71 HN GLY 71 -11.693 1.214 7.641 503 HA2 GLY 71 HA2 GLY 71 -9.616 1.858 8.406 504 HA3 GLY 71 HA1 GLY 71 -10.403 3.044 9.441 505 H ASN 72 HN ASN 72 -11.682 -0.086 9.715 506 HA ASN 72 HA ASN 72 -10.985 -0.135 12.499 507 HB2 ASN 72 HB2 ASN 72 -13.194 -0.853 11.568 508 HB3 ASN 72 HB1 ASN 72 -12.394 -2.243 10.846 509 HD21 ASN 72 HD21 ASN 72 -13.667 -3.670 12.004 510 HD22 ASN 72 HD22 ASN 72 -13.442 -3.945 13.696 511 H SER 73 HN SER 73 -9.345 -1.064 9.804 512 HA SER 73 HA SER 73 -8.204 -3.514 10.875 513 HB2 SER 73 HB2 SER 73 -6.974 -3.393 8.619 514 HB3 SER 73 HB1 SER 73 -8.722 -3.645 8.581 515 HG SER 73 HG SER 73 -8.424 -1.996 7.185 516 H SER 74 HN SER 74 -7.607 -0.259 11.157 517 HA SER 74 HA SER 74 -5.844 1.055 11.699 518 HB2 SER 74 HB2 SER 74 -5.528 -0.575 13.525 519 HB3 SER 74 HB1 SER 74 -4.526 -1.566 12.468 520 HG SER 74 HG SER 74 -3.058 0.186 12.345 521 H THR 75 HN THR 75 -6.071 0.852 9.165 522 HA THR 75 HA THR 75 -4.093 -0.484 7.677 523 HB THR 75 HB THR 75 -6.318 0.282 6.822 524 HG1 THR 75 HG1 THR 75 -5.415 1.057 4.764 525 HG21 THR 75 HG21 THR 75 -6.112 2.571 7.852 526 HG22 THR 75 HG22 THR 75 -6.685 2.531 6.185 527 HG23 THR 75 HG23 THR 75 -5.010 2.977 6.529 528 H SER 76 HN SER 76 -3.903 2.325 9.551 529 HA SER 76 HA SER 76 -2.161 3.683 10.067 530 HB2 SER 76 HB2 SER 76 -0.557 2.180 7.985 531 HB3 SER 76 HB1 SER 76 0.080 3.203 9.274 532 HG SER 76 HG SER 76 -1.536 0.939 9.808 533 H ALA 77 HN ALA 77 -2.657 3.135 6.609 534 HA ALA 77 HA ALA 77 -1.922 5.807 5.838 535 HB1 ALA 77 HB1 ALA 77 -3.663 3.807 4.400 536 HB2 ALA 77 HB2 ALA 77 -1.906 3.920 4.248 537 HB3 ALA 77 HB3 ALA 77 -2.928 5.260 3.699 538 HA PRO 78 HA PRO 78 -5.413 7.770 7.677 539 HB2 PRO 78 HB2 PRO 78 -4.910 9.685 5.456 540 HB3 PRO 78 HB1 PRO 78 -5.135 10.012 7.172 541 HG2 PRO 78 HG2 PRO 78 -2.720 10.107 6.129 542 HG3 PRO 78 HG1 PRO 78 -2.974 9.302 7.683 543 HD2 PRO 78 HD2 PRO 78 -2.579 8.097 4.990 544 HD3 PRO 78 HD1 PRO 78 -1.943 7.578 6.563 545 H GLY 79 HN GLY 79 -7.182 6.595 7.252 546 HA2 GLY 79 HA2 GLY 79 -9.142 5.928 6.298 547 HA3 GLY 79 HA1 GLY 79 -9.070 7.408 5.365 548 H SER 80 HN SER 80 -6.377 5.357 4.761 549 HA SER 80 HA SER 80 -7.499 4.892 2.072 550 HB2 SER 80 HB2 SER 80 -4.954 5.691 3.072 551 HB3 SER 80 HB1 SER 80 -4.779 4.182 2.178 552 HG SER 80 HG SER 80 -5.977 6.583 1.240 553 H ALA 81 HN ALA 81 -6.901 3.031 0.904 554 HA ALA 81 HA ALA 81 -7.348 0.646 2.529 555 HB1 ALA 81 HB1 ALA 81 -8.063 -0.364 0.379 556 HB2 ALA 81 HB2 ALA 81 -7.705 1.179 -0.409 557 HB3 ALA 81 HB3 ALA 81 -8.969 1.091 0.820 558 H HIS 82 HN HIS 82 -4.691 1.696 2.459 559 HA HIS 82 HA HIS 82 -3.445 -0.742 1.503 560 HB2 HIS 82 HB2 HIS 82 -2.719 1.996 0.632 561 HB3 HIS 82 HB1 HIS 82 -1.414 0.875 0.933 562 HD1 HIS 82 HD1 HIS 82 -1.433 -1.323 -0.584 563 HD2 HIS 82 HD2 HIS 82 -3.981 1.749 -1.770 564 HE1 HIS 82 HE1 HIS 82 -2.026 -1.818 -2.979 565 HE2 HIS 82 HE2 HIS 82 -3.697 -0.040 -3.615 566 H GLN 83 HN GLN 83 -2.308 -1.660 3.022 567 HA GLN 83 HA GLN 83 -0.861 -0.014 4.942 568 HB2 GLN 83 HB2 GLN 83 -1.660 -1.171 6.842 569 HB3 GLN 83 HB1 GLN 83 -3.094 -0.838 5.904 570 HG2 GLN 83 HG2 GLN 83 -3.263 -3.080 5.197 571 HG3 GLN 83 HG1 GLN 83 -1.647 -3.464 5.786 572 HE21 GLN 83 HE21 GLN 83 -2.421 -5.149 7.059 573 HE22 GLN 83 HE22 GLN 83 -3.302 -4.869 8.517 574 H ILE 84 HN ILE 84 1.208 -0.662 4.991 575 HA ILE 84 HA ILE 84 1.867 -3.039 3.507 576 HB ILE 84 HB ILE 84 3.272 -0.582 4.383 577 HG12 ILE 84 HG12 ILE 84 3.766 -1.707 1.764 578 HG13 ILE 84 HG11 ILE 84 2.048 -1.564 2.097 579 HG21 ILE 84 HG21 ILE 84 5.436 -1.480 3.662 580 HG22 ILE 84 HG22 ILE 84 4.710 -3.077 3.481 581 HG23 ILE 84 HG23 ILE 84 4.821 -2.336 5.076 582 HD11 ILE 84 HD11 ILE 84 2.493 0.834 2.706 583 HD12 ILE 84 HD12 ILE 84 2.737 0.423 1.009 584 HD13 ILE 84 HD13 ILE 84 4.126 0.606 2.079 585 H ASP 85 HN ASP 85 2.647 -4.854 4.286 586 HA ASP 85 HA ASP 85 2.714 -5.293 7.140 587 HB2 ASP 85 HB2 ASP 85 1.802 -7.016 5.562 588 HB3 ASP 85 HB1 ASP 85 3.407 -7.177 4.871 589 H THR 86 HN THR 86 4.459 -4.806 8.269 590 HA THR 86 HA THR 86 6.985 -4.484 6.905 591 HB THR 86 HB THR 86 7.697 -3.605 9.154 592 HG1 THR 86 HG1 THR 86 5.746 -3.072 10.479 593 HG21 THR 86 HG21 THR 86 6.403 -1.538 8.860 594 HG22 THR 86 HG22 THR 86 5.275 -2.405 7.816 595 HG23 THR 86 HG23 THR 86 6.953 -2.183 7.312 596 H THR 87 HN THR 87 5.414 -6.832 8.794 597 HA THR 87 HA THR 87 7.579 -8.127 10.003 598 HB THR 87 HB THR 87 5.001 -9.318 8.963 599 HG1 THR 87 HG1 THR 87 4.138 -8.329 10.621 600 HG21 THR 87 HG21 THR 87 5.393 -11.086 10.606 601 HG22 THR 87 HG22 THR 87 6.934 -10.348 11.040 602 HG23 THR 87 HG23 THR 87 6.701 -11.016 9.424 603 H ASN 88 HN ASN 88 5.916 -8.946 6.936 604 HA ASN 88 HA ASN 88 8.277 -10.496 6.140 605 HB2 ASN 88 HB2 ASN 88 5.513 -10.292 4.939 606 HB3 ASN 88 HB1 ASN 88 6.816 -11.236 4.231 607 HD21 ASN 88 HD21 ASN 88 5.666 -13.146 4.432 608 HD22 ASN 88 HD22 ASN 88 5.412 -13.916 5.957 609 H HIS 89 HN HIS 89 6.870 -7.489 5.728 610 HA HIS 89 HA HIS 89 7.521 -5.617 4.679 611 HB2 HIS 89 HB2 HIS 89 9.747 -7.383 3.678 612 HB3 HIS 89 HB1 HIS 89 9.523 -5.731 3.141 613 HD1 HIS 89 HD1 HIS 89 11.634 -7.369 5.284 614 HD2 HIS 89 HD2 HIS 89 9.144 -4.084 5.801 615 HE1 HIS 89 HE1 HIS 89 12.609 -6.079 7.210 616 HE2 HIS 89 HE2 HIS 89 10.943 -4.245 7.655 617 H LYS 90 HN LYS 90 5.406 -6.664 3.830 618 HA LYS 90 HA LYS 90 5.523 -6.921 0.902 619 HB2 LYS 90 HB2 LYS 90 3.781 -8.000 3.050 620 HB3 LYS 90 HB1 LYS 90 3.078 -7.780 1.470 621 HG2 LYS 90 HG2 LYS 90 4.810 -9.262 0.528 622 HG3 LYS 90 HG1 LYS 90 5.471 -9.484 2.152 623 HD2 LYS 90 HD2 LYS 90 2.721 -10.268 1.185 624 HD3 LYS 90 HD1 LYS 90 4.041 -11.354 1.632 625 HE2 LYS 90 HE2 LYS 90 3.941 -10.552 3.927 626 HE3 LYS 90 HE1 LYS 90 2.668 -9.420 3.497 627 HZ1 LYS 90 HZ1 LYS 90 1.215 -11.250 2.992 628 HZ2 LYS 90 HZ2 LYS 90 1.822 -11.442 4.559 629 HZ3 LYS 90 HZ3 LYS 90 2.442 -12.371 3.292 630 H LEU 91 HN LEU 91 4.162 -5.675 -0.346 631 HA LEU 91 HA LEU 91 2.914 -3.373 0.952 632 HB2 LEU 91 HB2 LEU 91 4.345 -2.983 -0.991 633 HB3 LEU 91 HB1 LEU 91 3.350 -4.010 -1.965 634 HG LEU 91 HG LEU 91 2.241 -2.221 -2.651 635 HD11 LEU 91 HD11 LEU 91 1.493 -1.782 0.236 636 HD12 LEU 91 HD12 LEU 91 0.551 -2.622 -0.998 637 HD13 LEU 91 HD13 LEU 91 0.813 -0.882 -1.122 638 HD21 LEU 91 HD21 LEU 91 3.601 -0.584 -0.545 639 HD22 LEU 91 HD22 LEU 91 2.875 -0.015 -2.048 640 HD23 LEU 91 HD23 LEU 91 4.311 -1.031 -2.091 641 H ILE 92 HN ILE 92 1.085 -3.893 1.795 642 HA ILE 92 HA ILE 92 -0.801 -5.664 0.446 643 HB ILE 92 HB ILE 92 -0.304 -4.774 3.252 644 HG12 ILE 92 HG12 ILE 92 -0.802 -7.340 3.523 645 HG13 ILE 92 HG11 ILE 92 -0.523 -7.366 1.785 646 HG21 ILE 92 HG21 ILE 92 -2.686 -4.367 2.969 647 HG22 ILE 92 HG22 ILE 92 -2.412 -5.754 4.023 648 HG23 ILE 92 HG23 ILE 92 -2.912 -6.003 2.352 649 HD11 ILE 92 HD11 ILE 92 1.398 -6.309 3.815 650 HD12 ILE 92 HD12 ILE 92 1.668 -6.464 2.081 651 HD13 ILE 92 HD13 ILE 92 1.464 -7.907 3.076 652 H SER 93 HN SER 93 -2.853 -4.959 -0.117 653 HA SER 93 HA SER 93 -3.544 -2.221 0.636 654 HB2 SER 93 HB2 SER 93 -5.263 -2.265 -1.008 655 HB3 SER 93 HB1 SER 93 -3.837 -2.960 -1.776 656 HG SER 93 HG SER 93 -5.969 -4.432 -0.600 657 H THR 94 HN THR 94 -5.122 -1.901 2.187 658 HA THR 94 HA THR 94 -6.504 -4.344 2.998 659 HB THR 94 HB THR 94 -5.347 -2.177 4.732 660 HG1 THR 94 HG1 THR 94 -4.652 -4.586 4.084 661 HG21 THR 94 HG21 THR 94 -7.684 -2.333 5.421 662 HG22 THR 94 HG22 THR 94 -6.665 -3.148 6.608 663 HG23 THR 94 HG23 THR 94 -7.595 -4.093 5.443 664 H PHE 95 HN PHE 95 -8.441 -4.335 2.378 665 HA PHE 95 HA PHE 95 -10.018 -1.862 2.450 666 HB2 PHE 95 HB2 PHE 95 -9.818 -3.055 0.236 667 HB3 PHE 95 HB1 PHE 95 -10.654 -4.418 0.989 668 HD1 PHE 95 HD1 PHE 95 -13.009 -4.354 1.461 669 HD2 PHE 95 HD2 PHE 95 -10.996 -0.932 -0.111 670 HE1 PHE 95 HE1 PHE 95 -15.168 -3.269 1.027 671 HE2 PHE 95 HE2 PHE 95 -13.163 0.145 -0.544 672 HZ PHE 95 HZ PHE 95 -15.250 -1.022 0.032 673 H THR 96 HN THR 96 -11.124 -1.859 4.407 674 HA THR 96 HA THR 96 -11.993 -4.350 5.494 675 HB THR 96 HB THR 96 -13.197 -2.978 7.190 676 HG1 THR 96 HG1 THR 96 -11.818 -0.708 6.295 677 HG21 THR 96 HG21 THR 96 -11.245 -2.442 8.364 678 HG22 THR 96 HG22 THR 96 -10.347 -2.108 6.877 679 HG23 THR 96 HG23 THR 96 -10.808 -3.778 7.287 680 HA PRO 97 HA PRO 97 -15.815 -4.381 3.103 681 HB2 PRO 97 HB2 PRO 97 -16.575 -6.698 4.468 682 HB3 PRO 97 HB1 PRO 97 -15.816 -6.625 2.877 683 HG2 PRO 97 HG2 PRO 97 -14.652 -7.312 5.491 684 HG3 PRO 97 HG1 PRO 97 -14.133 -7.763 3.861 685 HD2 PRO 97 HD2 PRO 97 -12.870 -5.915 5.430 686 HD3 PRO 97 HD1 PRO 97 -12.779 -5.961 3.665 687 H SER 98 HN SER 98 -18.054 -4.350 3.803 688 HA SER 98 HA SER 98 -18.478 -2.590 5.918 689 HB2 SER 98 HB2 SER 98 -19.995 -2.733 4.020 690 HB3 SER 98 HB1 SER 98 -20.456 -4.369 4.482 691 HG SER 98 HG SER 98 -21.085 -3.268 6.568 692 H ASN 99 HN ASN 99 -18.189 -5.987 5.912 693 HA ASN 99 HA ASN 99 -19.630 -6.484 8.348 694 HB2 ASN 99 HB2 ASN 99 -17.759 -8.064 6.625 695 HB3 ASN 99 HB1 ASN 99 -18.279 -8.669 8.184 696 HD21 ASN 99 HD21 ASN 99 -18.743 -9.696 5.502 697 HD22 ASN 99 HD22 ASN 99 -20.460 -9.790 5.314 698 H GLY 100 HN GLY 100 -16.497 -5.389 7.550 699 HA2 GLY 100 HA2 GLY 100 -14.741 -4.749 8.947 700 HA3 GLY 100 HA1 GLY 100 -15.637 -5.411 10.312 701 H GLY 101 HN GLY 101 -15.399 -7.377 7.596 702 HA2 GLY 101 HA2 GLY 101 -13.954 -9.379 9.089 703 HA3 GLY 101 HA1 GLY 101 -14.710 -9.587 7.518 704 H GLN 102 HN GLN 102 -12.704 -10.784 7.100 705 HA GLN 102 HA GLN 102 -10.169 -9.709 7.004 706 HB2 GLN 102 HB2 GLN 102 -9.625 -11.404 5.388 707 HB3 GLN 102 HB1 GLN 102 -10.746 -12.086 6.557 708 HG2 GLN 102 HG2 GLN 102 -12.583 -11.654 4.949 709 HG3 GLN 102 HG1 GLN 102 -11.369 -11.152 3.776 710 HE21 GLN 102 HE21 GLN 102 -12.748 -13.806 5.518 711 HE22 GLN 102 HE22 GLN 102 -12.013 -15.069 4.592 712 H ALA 103 HN ALA 103 -9.078 -8.397 5.676 713 HA ALA 103 HA ALA 103 -10.721 -6.711 3.945 714 HB1 ALA 103 HB1 ALA 103 -7.918 -6.375 5.003 715 HB2 ALA 103 HB2 ALA 103 -9.387 -5.578 5.582 716 HB3 ALA 103 HB3 ALA 103 -8.763 -5.218 3.970 717 H THR 104 HN THR 104 -10.129 -6.086 1.978 718 HA THR 104 HA THR 104 -9.166 -8.227 0.343 719 HB THR 104 HB THR 104 -10.762 -5.818 0.041 720 HG1 THR 104 HG1 THR 104 -11.432 -8.093 0.105 721 HG21 THR 104 HG21 THR 104 -8.983 -6.750 -2.193 722 HG22 THR 104 HG22 THR 104 -9.281 -5.100 -1.631 723 HG23 THR 104 HG23 THR 104 -10.539 -5.978 -2.501 724 H VAL 105 HN VAL 105 -7.238 -8.407 -0.594 725 HA VAL 105 HA VAL 105 -5.371 -6.187 -0.128 726 HB VAL 105 HB VAL 105 -4.853 -9.122 0.380 727 HG11 VAL 105 HG11 VAL 105 -2.704 -8.270 1.345 728 HG12 VAL 105 HG12 VAL 105 -3.067 -6.713 0.600 729 HG13 VAL 105 HG13 VAL 105 -2.840 -8.139 -0.407 730 HG21 VAL 105 HG21 VAL 105 -6.269 -8.059 2.093 731 HG22 VAL 105 HG22 VAL 105 -5.028 -6.825 2.325 732 HG23 VAL 105 HG23 VAL 105 -4.679 -8.507 2.721 733 H LEU 106 HN LEU 106 -4.448 -5.528 -1.884 734 HA LEU 106 HA LEU 106 -3.588 -7.426 -3.949 735 HB2 LEU 106 HB2 LEU 106 -3.940 -4.444 -3.850 736 HB3 LEU 106 HB1 LEU 106 -2.855 -5.152 -5.029 737 HG LEU 106 HG LEU 106 -4.901 -4.751 -6.123 738 HD11 LEU 106 HD11 LEU 106 -3.871 -6.876 -6.688 739 HD12 LEU 106 HD12 LEU 106 -5.628 -7.006 -6.776 740 HD13 LEU 106 HD13 LEU 106 -4.764 -7.681 -5.397 741 HD21 LEU 106 HD21 LEU 106 -6.346 -6.323 -3.975 742 HD22 LEU 106 HD22 LEU 106 -7.073 -5.489 -5.347 743 HD23 LEU 106 HD23 LEU 106 -6.304 -4.566 -4.059 744 H THR 107 HN THR 107 -1.639 -8.291 -3.529 745 HA THR 107 HA THR 107 0.093 -6.836 -1.658 746 HB THR 107 HB THR 107 0.289 -9.762 -2.343 747 HG1 THR 107 HG1 THR 107 -0.831 -9.350 0.049 748 HG21 THR 107 HG21 THR 107 2.238 -8.731 -1.220 749 HG22 THR 107 HG22 THR 107 1.430 -9.922 -0.199 750 HG23 THR 107 HG23 THR 107 1.181 -8.201 0.092 751 H TYR 108 HN TYR 108 2.269 -6.661 -1.932 752 HA TYR 108 HA TYR 108 3.540 -7.756 -4.321 753 HB2 TYR 108 HB2 TYR 108 3.318 -5.602 -5.146 754 HB3 TYR 108 HB1 TYR 108 3.350 -4.880 -3.554 755 HD1 TYR 108 HD1 TYR 108 5.296 -3.951 -2.700 756 HD2 TYR 108 HD2 TYR 108 5.534 -6.486 -6.105 757 HE1 TYR 108 HE1 TYR 108 7.634 -3.289 -3.010 758 HE2 TYR 108 HE2 TYR 108 7.891 -5.852 -6.420 759 HH TYR 108 HH TYR 108 9.678 -4.167 -4.064 760 H ASP 109 HN ASP 109 5.723 -8.297 -3.977 761 HA ASP 109 HA ASP 109 6.506 -8.239 -1.137 762 HB2 ASP 109 HB2 ASP 109 5.970 -10.486 -2.212 763 HB3 ASP 109 HB1 ASP 109 7.417 -10.261 -3.186 764 H TRP 110 HN TRP 110 8.045 -6.776 -0.806 765 HA TRP 110 HA TRP 110 9.836 -5.956 -2.902 766 HB2 TRP 110 HB2 TRP 110 9.336 -4.165 -1.533 767 HB3 TRP 110 HB1 TRP 110 9.365 -5.129 -0.066 768 HD1 TRP 110 HD1 TRP 110 11.810 -3.540 -2.595 769 HE1 TRP 110 HE1 TRP 110 14.029 -3.057 -1.373 770 HE3 TRP 110 HE3 TRP 110 10.744 -5.704 1.887 771 HZ2 TRP 110 HZ2 TRP 110 15.159 -3.538 1.174 772 HZ3 TRP 110 HZ3 TRP 110 12.434 -5.655 3.673 773 HH2 TRP 110 HH2 TRP 110 14.607 -4.591 3.325 774 H SER 111 HN SER 111 9.941 -8.069 -0.154 775 HA SER 111 HA SER 111 12.707 -8.370 0.140 776 HB2 SER 111 HB2 SER 111 11.065 -9.143 1.788 777 HB3 SER 111 HB1 SER 111 10.503 -10.366 0.663 778 HG SER 111 HG SER 111 13.223 -10.274 1.392 779 H ALA 112 HN ALA 112 10.422 -9.823 -2.070 780 HA ALA 112 HA ALA 112 12.199 -11.773 -3.136 781 HB1 ALA 112 HB1 ALA 112 9.764 -12.002 -3.273 782 HB2 ALA 112 HB2 ALA 112 10.518 -12.094 -4.865 783 HB3 ALA 112 HB3 ALA 112 9.706 -10.613 -4.358 784 H ASN 113 HN ASN 113 12.298 -8.550 -3.329 785 HA ASN 113 HA ASN 113 13.686 -8.578 -5.927 786 HB2 ASN 113 HB2 ASN 113 12.132 -6.363 -4.586 787 HB3 ASN 113 HB1 ASN 113 13.264 -6.055 -5.898 788 HD21 ASN 113 HD21 ASN 113 10.206 -7.464 -5.016 789 HD22 ASN 113 HD22 ASN 113 9.616 -7.670 -6.626 790 H GLY 114 HN GLY 114 13.719 -7.460 -2.602 791 HA2 GLY 114 HA2 GLY 114 16.465 -6.552 -2.840 792 HA3 GLY 114 HA1 GLY 114 15.487 -6.548 -1.377 793 H VAL 115 HN VAL 115 15.959 -8.038 0.117 794 HA VAL 115 HA VAL 115 17.089 -10.595 -0.783 795 HB VAL 115 HB VAL 115 18.007 -9.157 1.718 796 HG11 VAL 115 HG11 VAL 115 19.587 -10.920 1.965 797 HG12 VAL 115 HG12 VAL 115 19.198 -11.574 0.375 798 HG13 VAL 115 HG13 VAL 115 18.013 -11.679 1.681 799 HG21 VAL 115 HG21 VAL 115 19.469 -9.506 -0.899 800 HG22 VAL 115 HG22 VAL 115 20.136 -8.801 0.573 801 HG23 VAL 115 HG23 VAL 115 18.819 -7.991 -0.275 802 H ASN 116 HN ASN 116 16.622 -12.370 0.637 803 HA ASN 116 HA ASN 116 14.260 -11.887 2.321 804 HB2 ASN 116 HB2 ASN 116 14.002 -13.325 0.276 805 HB3 ASN 116 HB1 ASN 116 15.126 -14.460 1.012 806 HD21 ASN 116 HD21 ASN 116 11.950 -13.031 1.214 807 HD22 ASN 116 HD22 ASN 116 11.262 -14.224 2.263 808 H SER 117 HN SER 117 16.279 -11.271 3.749 809 HA SER 117 HA SER 117 17.471 -11.673 5.636 810 HB2 SER 117 HB2 SER 117 15.625 -14.067 5.839 811 HB3 SER 117 HB1 SER 117 16.587 -13.397 7.158 812 HG SER 117 HG SER 117 15.354 -11.571 7.139 813 H ASN 118 HN ASN 118 18.762 -12.497 3.361 814 HA ASN 118 HA ASN 118 19.864 -15.146 3.970 815 HB2 ASN 118 HB2 ASN 118 20.193 -13.468 1.473 816 HB3 ASN 118 HB1 ASN 118 20.810 -15.098 1.706 817 HD21 ASN 118 HD21 ASN 118 19.326 -16.829 1.825 818 HD22 ASN 118 HD22 ASN 118 17.739 -16.686 1.160 Start of MODEL 7 1 H1 HIS 6 HT1 HIS 6 -19.308 -8.850 -5.339 2 H2 HIS 6 HT2 HIS 6 -20.891 -8.660 -5.892 3 H3 HIS 6 HT3 HIS 6 -20.202 -7.494 -4.885 4 HA HIS 6 HA HIS 6 -19.281 -8.155 -7.617 5 HB2 HIS 6 HB2 HIS 6 -20.909 -5.833 -6.572 6 HB3 HIS 6 HB1 HIS 6 -20.073 -5.797 -8.119 7 HD1 HIS 6 HD1 HIS 6 -20.935 -7.540 -9.940 8 HD2 HIS 6 HD2 HIS 6 -23.359 -7.037 -6.600 9 HE1 HIS 6 HE1 HIS 6 -23.168 -8.521 -10.563 10 HE2 HIS 6 HE2 HIS 6 -24.652 -8.085 -8.576 11 H GLN 7 HN GLN 7 -19.069 -5.890 -4.876 12 HA GLN 7 HA GLN 7 -16.974 -4.366 -5.913 13 HB2 GLN 7 HB2 GLN 7 -18.243 -3.467 -4.120 14 HB3 GLN 7 HB1 GLN 7 -17.855 -4.841 -3.100 15 HG2 GLN 7 HG2 GLN 7 -15.570 -4.177 -2.920 16 HG3 GLN 7 HG1 GLN 7 -15.818 -2.863 -4.079 17 HE21 GLN 7 HE21 GLN 7 -16.945 -1.010 -3.413 18 HE22 GLN 7 HE22 GLN 7 -17.208 -0.657 -1.741 19 H ASP 8 HN ASP 8 -16.907 -7.442 -4.255 20 HA ASP 8 HA ASP 8 -14.291 -7.392 -3.334 21 HB2 ASP 8 HB2 ASP 8 -15.741 -9.203 -2.724 22 HB3 ASP 8 HB1 ASP 8 -15.909 -9.703 -4.401 23 H ASN 9 HN ASN 9 -15.554 -8.075 -6.532 24 HA ASN 9 HA ASN 9 -13.005 -8.585 -7.729 25 HB2 ASN 9 HB2 ASN 9 -15.299 -9.322 -8.592 26 HB3 ASN 9 HB1 ASN 9 -15.463 -7.667 -9.152 27 HD21 ASN 9 HD21 ASN 9 -13.777 -10.668 -9.575 28 HD22 ASN 9 HD22 ASN 9 -13.069 -10.286 -11.104 29 H ALA 10 HN ALA 10 -15.115 -5.831 -7.304 30 HA ALA 10 HA ALA 10 -13.805 -4.022 -9.030 31 HB1 ALA 10 HB1 ALA 10 -15.450 -3.516 -6.559 32 HB2 ALA 10 HB2 ALA 10 -16.004 -3.503 -8.240 33 HB3 ALA 10 HB3 ALA 10 -14.876 -2.259 -7.664 34 H ARG 11 HN ARG 11 -13.634 -4.398 -5.509 35 HA ARG 11 HA ARG 11 -11.723 -2.579 -4.821 36 HB2 ARG 11 HB2 ARG 11 -11.964 -5.424 -3.890 37 HB3 ARG 11 HB1 ARG 11 -10.959 -4.209 -3.112 38 HG2 ARG 11 HG2 ARG 11 -12.797 -3.042 -2.317 39 HG3 ARG 11 HG1 ARG 11 -13.899 -3.822 -3.459 40 HD2 ARG 11 HD2 ARG 11 -13.406 -5.989 -2.327 41 HD3 ARG 11 HD1 ARG 11 -12.501 -5.093 -1.113 42 HE ARG 11 HE ARG 11 -15.023 -3.954 -1.209 43 HH11 ARG 11 HH11 ARG 11 -13.599 -7.045 -0.352 44 HH12 ARG 11 HH12 ARG 11 -14.892 -7.473 0.726 45 HH21 ARG 11 HH21 ARG 11 -16.702 -4.511 0.207 46 HH22 ARG 11 HH22 ARG 11 -16.659 -6.032 1.046 47 H LYS 12 HN LYS 12 -11.154 -5.932 -5.773 48 HA LYS 12 HA LYS 12 -8.447 -5.968 -5.920 49 HB2 LYS 12 HB2 LYS 12 -9.518 -7.991 -6.436 50 HB3 LYS 12 HB1 LYS 12 -10.473 -7.261 -7.718 51 HG2 LYS 12 HG2 LYS 12 -8.724 -7.245 -9.206 52 HG3 LYS 12 HG1 LYS 12 -7.504 -7.291 -7.942 53 HD2 LYS 12 HD2 LYS 12 -9.338 -9.612 -8.377 54 HD3 LYS 12 HD1 LYS 12 -7.898 -9.399 -9.377 55 HE2 LYS 12 HE2 LYS 12 -6.597 -9.191 -7.214 56 HE3 LYS 12 HE1 LYS 12 -8.056 -9.757 -6.393 57 HZ1 LYS 12 HZ1 LYS 12 -6.507 -11.224 -8.456 58 HZ2 LYS 12 HZ2 LYS 12 -7.974 -11.757 -7.804 59 HZ3 LYS 12 HZ3 LYS 12 -6.615 -11.604 -6.810 60 H SER 13 HN SER 13 -10.611 -4.782 -8.495 61 HA SER 13 HA SER 13 -8.383 -4.140 -10.208 62 HB2 SER 13 HB2 SER 13 -10.536 -4.794 -11.161 63 HB3 SER 13 HB1 SER 13 -11.319 -3.405 -10.405 64 HG SER 13 HG SER 13 -9.156 -2.677 -11.891 65 H ARG 14 HN ARG 14 -10.589 -2.329 -8.152 66 HA ARG 14 HA ARG 14 -9.776 0.237 -9.037 67 HB2 ARG 14 HB2 ARG 14 -11.181 1.086 -7.259 68 HB3 ARG 14 HB1 ARG 14 -12.000 -0.279 -8.018 69 HG2 ARG 14 HG2 ARG 14 -12.209 -1.223 -6.039 70 HG3 ARG 14 HG1 ARG 14 -10.450 -1.320 -5.924 71 HD2 ARG 14 HD2 ARG 14 -12.320 0.692 -4.784 72 HD3 ARG 14 HD1 ARG 14 -10.968 -0.148 -4.026 73 HE ARG 14 HE ARG 14 -9.487 1.315 -5.355 74 HH11 ARG 14 HH11 ARG 14 -12.802 2.321 -4.837 75 HH12 ARG 14 HH12 ARG 14 -12.457 4.005 -5.056 76 HH21 ARG 14 HH21 ARG 14 -9.022 3.539 -5.643 77 HH22 ARG 14 HH22 ARG 14 -10.319 4.697 -5.510 78 H ILE 15 HN ILE 15 -8.701 -1.894 -6.464 79 HA ILE 15 HA ILE 15 -6.970 0.080 -5.279 80 HB ILE 15 HB ILE 15 -7.059 -2.918 -4.961 81 HG12 ILE 15 HG12 ILE 15 -8.158 -0.787 -3.104 82 HG13 ILE 15 HG11 ILE 15 -9.145 -1.676 -4.262 83 HG21 ILE 15 HG21 ILE 15 -5.766 -0.825 -3.216 84 HG22 ILE 15 HG22 ILE 15 -4.906 -1.852 -4.367 85 HG23 ILE 15 HG23 ILE 15 -5.727 -2.576 -2.977 86 HD11 ILE 15 HD11 ILE 15 -8.422 -3.780 -3.152 87 HD12 ILE 15 HD12 ILE 15 -9.396 -2.704 -2.139 88 HD13 ILE 15 HD13 ILE 15 -7.648 -2.785 -1.906 89 H GLN 16 HN GLN 16 -6.732 -2.779 -7.328 90 HA GLN 16 HA GLN 16 -4.054 -3.202 -7.546 91 HB2 GLN 16 HB2 GLN 16 -6.372 -3.943 -8.907 92 HB3 GLN 16 HB1 GLN 16 -5.260 -3.374 -10.139 93 HG2 GLN 16 HG2 GLN 16 -3.547 -4.929 -9.086 94 HG3 GLN 16 HG1 GLN 16 -4.903 -5.620 -8.189 95 HE21 GLN 16 HE21 GLN 16 -6.550 -6.675 -9.336 96 HE22 GLN 16 HE22 GLN 16 -6.283 -7.312 -10.919 97 H SER 17 HN SER 17 -5.979 -0.841 -9.329 98 HA SER 17 HA SER 17 -4.020 0.028 -11.089 99 HB2 SER 17 HB2 SER 17 -5.417 2.200 -11.057 100 HB3 SER 17 HB1 SER 17 -6.197 0.713 -11.594 101 HG SER 17 HG SER 17 -7.542 0.924 -10.013 102 H GLU 18 HN GLU 18 -4.729 1.059 -7.807 103 HA GLU 18 HA GLU 18 -2.560 2.974 -7.812 104 HB2 GLU 18 HB2 GLU 18 -4.042 1.985 -5.408 105 HB3 GLU 18 HB1 GLU 18 -3.223 3.513 -5.638 106 HG2 GLU 18 HG2 GLU 18 -4.948 4.445 -6.712 107 HG3 GLU 18 HG1 GLU 18 -5.437 2.921 -7.469 108 H HIS 19 HN HIS 19 -3.220 -0.254 -6.605 109 HA HIS 19 HA HIS 19 -1.278 -0.602 -4.705 110 HB2 HIS 19 HB2 HIS 19 -2.714 -2.408 -4.912 111 HB3 HIS 19 HB1 HIS 19 -2.577 -2.475 -6.659 112 HD1 HIS 19 HD1 HIS 19 -0.184 -3.049 -3.728 113 HD2 HIS 19 HD2 HIS 19 -1.237 -4.652 -7.406 114 HE1 HIS 19 HE1 HIS 19 1.287 -5.057 -4.028 115 HE2 HIS 19 HE2 HIS 19 0.797 -5.864 -6.363 116 H ARG 20 HN ARG 20 -0.854 -1.242 -8.185 117 HA ARG 20 HA ARG 20 1.855 -1.920 -8.085 118 HB2 ARG 20 HB2 ARG 20 0.520 -0.451 -10.346 119 HB3 ARG 20 HB1 ARG 20 1.879 -1.564 -10.441 120 HG2 ARG 20 HG2 ARG 20 0.293 -3.335 -9.556 121 HG3 ARG 20 HG1 ARG 20 -1.004 -2.183 -9.890 122 HD2 ARG 20 HD2 ARG 20 -0.192 -2.050 -12.228 123 HD3 ARG 20 HD1 ARG 20 0.960 -3.330 -11.852 124 HE ARG 20 HE ARG 20 -1.405 -4.407 -11.114 125 HH11 ARG 20 HH11 ARG 20 -0.271 -2.900 -14.056 126 HH12 ARG 20 HH12 ARG 20 -1.359 -3.778 -15.080 127 HH21 ARG 20 HH21 ARG 20 -2.850 -5.567 -12.452 128 HH22 ARG 20 HH22 ARG 20 -2.815 -5.311 -14.169 129 H GLU 21 HN GLU 21 0.283 1.163 -8.071 130 HA GLU 21 HA GLU 21 2.545 2.791 -8.688 131 HB2 GLU 21 HB2 GLU 21 0.136 3.693 -7.127 132 HB3 GLU 21 HB1 GLU 21 1.096 4.608 -8.276 133 HG2 GLU 21 HG2 GLU 21 -0.546 2.250 -9.096 134 HG3 GLU 21 HG1 GLU 21 -1.246 3.860 -8.994 135 H LEU 22 HN LEU 22 0.813 1.973 -5.710 136 HA LEU 22 HA LEU 22 2.434 3.410 -3.945 137 HB2 LEU 22 HB2 LEU 22 0.637 1.049 -3.550 138 HB3 LEU 22 HB1 LEU 22 1.624 1.646 -2.232 139 HG LEU 22 HG LEU 22 -0.459 2.668 -1.894 140 HD11 LEU 22 HD11 LEU 22 1.531 4.223 -1.914 141 HD12 LEU 22 HD12 LEU 22 -0.032 4.995 -2.150 142 HD13 LEU 22 HD13 LEU 22 1.031 4.731 -3.530 143 HD21 LEU 22 HD21 LEU 22 -0.509 3.398 -4.818 144 HD22 LEU 22 HD22 LEU 22 -1.754 3.746 -3.619 145 HD23 LEU 22 HD23 LEU 22 -1.413 2.078 -4.075 146 H VAL 23 HN VAL 23 2.855 0.134 -5.243 147 HA VAL 23 HA VAL 23 5.133 -0.304 -3.561 148 HB VAL 23 HB VAL 23 4.805 -2.407 -4.055 149 HG11 VAL 23 HG11 VAL 23 2.973 -1.739 -6.330 150 HG12 VAL 23 HG12 VAL 23 2.471 -1.660 -4.645 151 HG13 VAL 23 HG13 VAL 23 2.992 -3.198 -5.340 152 HG21 VAL 23 HG21 VAL 23 6.552 -2.183 -5.661 153 HG22 VAL 23 HG22 VAL 23 5.392 -1.644 -6.887 154 HG23 VAL 23 HG23 VAL 23 5.328 -3.301 -6.278 155 H SER 24 HN SER 24 4.571 0.766 -6.872 156 HA SER 24 HA SER 24 7.216 1.081 -7.694 157 HB2 SER 24 HB2 SER 24 5.275 1.574 -9.148 158 HB3 SER 24 HB1 SER 24 4.879 2.968 -8.139 159 HG SER 24 HG SER 24 6.782 3.947 -8.783 160 H ALA 25 HN ALA 25 5.263 2.779 -5.394 161 HA ALA 25 HA ALA 25 7.169 4.920 -4.968 162 HB1 ALA 25 HB1 ALA 25 4.898 4.180 -3.149 163 HB2 ALA 25 HB2 ALA 25 4.637 5.095 -4.645 164 HB3 ALA 25 HB3 ALA 25 5.670 5.758 -3.354 165 H ILE 26 HN ILE 26 6.290 1.837 -3.413 166 HA ILE 26 HA ILE 26 7.873 2.051 -1.151 167 HB ILE 26 HB ILE 26 6.904 -0.265 -2.768 168 HG12 ILE 26 HG12 ILE 26 6.745 0.587 0.103 169 HG13 ILE 26 HG11 ILE 26 5.441 0.527 -1.074 170 HG21 ILE 26 HG21 ILE 26 9.245 -0.860 -2.314 171 HG22 ILE 26 HG22 ILE 26 8.106 -1.894 -1.448 172 HG23 ILE 26 HG23 ILE 26 8.953 -0.606 -0.591 173 HD11 ILE 26 HD11 ILE 26 5.365 -1.834 -1.012 174 HD12 ILE 26 HD12 ILE 26 5.478 -1.283 0.677 175 HD13 ILE 26 HD13 ILE 26 6.906 -1.914 -0.141 176 H GLN 27 HN GLN 27 8.692 0.762 -4.341 177 HA GLN 27 HA GLN 27 11.377 0.212 -3.819 178 HB2 GLN 27 HB2 GLN 27 10.060 0.920 -6.443 179 HB3 GLN 27 HB1 GLN 27 11.626 0.129 -6.263 180 HG2 GLN 27 HG2 GLN 27 10.446 -1.712 -5.053 181 HG3 GLN 27 HG1 GLN 27 8.934 -0.931 -5.478 182 HE21 GLN 27 HE21 GLN 27 11.660 -2.713 -6.637 183 HE22 GLN 27 HE22 GLN 27 11.016 -3.089 -8.197 184 H SER 28 HN SER 28 9.763 3.145 -4.825 185 HA SER 28 HA SER 28 12.092 4.678 -5.351 186 HB2 SER 28 HB2 SER 28 9.233 5.402 -4.714 187 HB3 SER 28 HB1 SER 28 10.448 6.585 -5.167 188 HG SER 28 HG SER 28 9.190 4.622 -6.703 189 H TYR 29 HN TYR 29 9.855 4.566 -2.585 190 HA TYR 29 HA TYR 29 11.111 6.293 -0.817 191 HB2 TYR 29 HB2 TYR 29 8.876 5.274 -0.532 192 HB3 TYR 29 HB1 TYR 29 9.620 3.712 -0.255 193 HD1 TYR 29 HD1 TYR 29 7.666 4.586 1.569 194 HD2 TYR 29 HD2 TYR 29 11.807 5.583 1.553 195 HE1 TYR 29 HE1 TYR 29 7.575 4.948 3.999 196 HE2 TYR 29 HE2 TYR 29 11.714 5.948 3.980 197 HH TYR 29 HH TYR 29 9.093 4.970 5.913 198 H ILE 30 HN ILE 30 11.449 2.777 -1.065 199 HA ILE 30 HA ILE 30 13.358 2.496 0.956 200 HB ILE 30 HB ILE 30 12.630 0.742 -1.370 201 HG12 ILE 30 HG12 ILE 30 11.858 0.806 1.552 202 HG13 ILE 30 HG11 ILE 30 10.833 1.187 0.180 203 HG21 ILE 30 HG21 ILE 30 14.447 0.182 0.958 204 HG22 ILE 30 HG22 ILE 30 14.819 0.072 -0.761 205 HG23 ILE 30 HG23 ILE 30 13.706 -1.083 -0.022 206 HD11 ILE 30 HD11 ILE 30 11.941 -1.508 0.890 207 HD12 ILE 30 HD12 ILE 30 11.001 -1.141 -0.557 208 HD13 ILE 30 HD13 ILE 30 10.269 -0.965 1.038 209 H GLY 31 HN GLY 31 13.741 2.976 -2.524 210 HA2 GLY 31 HA2 GLY 31 16.549 2.499 -2.550 211 HA3 GLY 31 HA1 GLY 31 15.630 3.339 -3.794 212 H ALA 32 HN ALA 32 14.606 5.114 -1.542 213 HA ALA 32 HA ALA 32 16.721 7.102 -1.757 214 HB1 ALA 32 HB1 ALA 32 14.315 7.612 -2.234 215 HB2 ALA 32 HB2 ALA 32 15.077 8.674 -1.048 216 HB3 ALA 32 HB3 ALA 32 14.000 7.382 -0.511 217 H GLN 33 HN GLN 33 15.345 4.927 0.515 218 HA GLN 33 HA GLN 33 15.633 6.241 2.898 219 HB2 GLN 33 HB2 GLN 33 15.643 3.381 2.116 220 HB3 GLN 33 HB1 GLN 33 15.937 3.844 3.789 221 HG2 GLN 33 HG2 GLN 33 13.657 5.093 2.425 222 HG3 GLN 33 HG1 GLN 33 13.521 3.400 2.836 223 HE21 GLN 33 HE21 GLN 33 13.829 6.631 4.046 224 HE22 GLN 33 HE22 GLN 33 13.442 6.278 5.691 225 H ASP 34 HN ASP 34 17.074 5.909 4.635 226 HA ASP 34 HA ASP 34 19.794 6.306 4.061 227 HB2 ASP 34 HB2 ASP 34 18.349 6.878 6.179 228 HB3 ASP 34 HB1 ASP 34 18.873 5.285 6.714 229 H ASP 35 HN ASP 35 17.878 3.553 4.811 230 HA ASP 35 HA ASP 35 20.033 1.844 3.811 231 HB2 ASP 35 HB2 ASP 35 18.332 0.954 6.146 232 HB3 ASP 35 HB1 ASP 35 19.648 0.079 5.396 233 HA PRO 36 HA PRO 36 16.329 0.664 1.509 234 HB2 PRO 36 HB2 PRO 36 17.590 -0.349 -0.576 235 HB3 PRO 36 HB1 PRO 36 17.635 1.390 -0.290 236 HG2 PRO 36 HG2 PRO 36 19.670 -0.659 0.549 237 HG3 PRO 36 HG1 PRO 36 19.940 0.789 -0.437 238 HD2 PRO 36 HD2 PRO 36 20.383 0.852 2.189 239 HD3 PRO 36 HD1 PRO 36 19.615 2.228 1.369 240 H THR 37 HN THR 37 18.594 -0.892 3.186 241 HA THR 37 HA THR 37 18.210 -3.568 2.265 242 HB THR 37 HB THR 37 19.894 -4.148 3.871 243 HG1 THR 37 HG1 THR 37 20.158 -3.041 5.695 244 HG21 THR 37 HG21 THR 37 21.663 -2.516 3.390 245 HG22 THR 37 HG22 THR 37 20.446 -1.349 2.862 246 HG23 THR 37 HG23 THR 37 20.703 -2.836 1.946 247 H ASN 38 HN ASN 38 17.106 -1.553 4.826 248 HA ASN 38 HA ASN 38 14.863 -3.238 5.343 249 HB2 ASN 38 HB2 ASN 38 16.678 -4.275 6.662 250 HB3 ASN 38 HB1 ASN 38 16.856 -2.775 7.561 251 HD21 ASN 38 HD21 ASN 38 16.354 -3.815 9.502 252 HD22 ASN 38 HD22 ASN 38 14.737 -4.283 9.898 253 HA PRO 39 HA PRO 39 14.521 1.440 5.779 254 HB2 PRO 39 HB2 PRO 39 12.178 1.449 4.307 255 HB3 PRO 39 HB1 PRO 39 13.791 1.799 3.684 256 HG2 PRO 39 HG2 PRO 39 12.231 -0.734 3.550 257 HG3 PRO 39 HG1 PRO 39 13.291 0.001 2.353 258 HD2 PRO 39 HD2 PRO 39 14.078 -2.073 3.801 259 HD3 PRO 39 HD1 PRO 39 15.200 -0.789 3.342 260 H SER 40 HN SER 40 12.543 2.678 6.438 261 HA SER 40 HA SER 40 11.416 1.555 8.786 262 HB2 SER 40 HB2 SER 40 10.498 4.040 7.321 263 HB3 SER 40 HB1 SER 40 10.299 3.675 9.035 264 HG SER 40 HG SER 40 12.836 3.500 8.713 265 H GLU 41 HN GLU 41 8.904 1.949 9.106 266 HA GLU 41 HA GLU 41 7.540 0.200 7.331 267 HB2 GLU 41 HB2 GLU 41 6.730 0.095 9.513 268 HB3 GLU 41 HB1 GLU 41 6.785 1.836 9.720 269 HG2 GLU 41 HG2 GLU 41 4.875 2.134 8.392 270 HG3 GLU 41 HG1 GLU 41 4.847 0.444 7.907 271 H ILE 42 HN ILE 42 6.295 0.612 5.683 272 HA ILE 42 HA ILE 42 6.491 3.326 4.668 273 HB ILE 42 HB ILE 42 6.135 0.659 3.351 274 HG12 ILE 42 HG12 ILE 42 8.341 2.662 3.630 275 HG13 ILE 42 HG11 ILE 42 8.376 0.919 3.851 276 HG21 ILE 42 HG21 ILE 42 6.214 1.910 1.224 277 HG22 ILE 42 HG22 ILE 42 6.041 3.403 2.138 278 HG23 ILE 42 HG23 ILE 42 4.755 2.198 2.165 279 HD11 ILE 42 HD11 ILE 42 9.613 1.585 1.894 280 HD12 ILE 42 HD12 ILE 42 8.170 2.359 1.235 281 HD13 ILE 42 HD13 ILE 42 8.214 0.607 1.453 282 H THR 43 HN THR 43 4.755 4.552 4.415 283 HA THR 43 HA THR 43 2.142 3.245 4.169 284 HB THR 43 HB THR 43 1.104 5.052 5.486 285 HG1 THR 43 HG1 THR 43 2.565 6.344 6.785 286 HG21 THR 43 HG21 THR 43 3.282 3.587 6.984 287 HG22 THR 43 HG22 THR 43 1.706 2.914 6.556 288 HG23 THR 43 HG23 THR 43 1.809 4.266 7.685 289 H LEU 44 HN LEU 44 0.486 4.790 3.359 290 HA LEU 44 HA LEU 44 1.323 5.714 0.847 291 HB2 LEU 44 HB2 LEU 44 -1.164 6.468 2.310 292 HB3 LEU 44 HB1 LEU 44 -0.912 6.484 0.593 293 HG LEU 44 HG LEU 44 -1.242 4.138 2.387 294 HD11 LEU 44 HD11 LEU 44 -3.041 5.567 1.015 295 HD12 LEU 44 HD12 LEU 44 -3.208 3.867 1.429 296 HD13 LEU 44 HD13 LEU 44 -2.624 4.326 -0.167 297 HD21 LEU 44 HD21 LEU 44 0.704 3.730 0.954 298 HD22 LEU 44 HD22 LEU 44 -0.274 4.114 -0.461 299 HD23 LEU 44 HD23 LEU 44 -0.653 2.699 0.515 300 H ALA 45 HN ALA 45 0.623 7.288 3.855 301 HA ALA 45 HA ALA 45 0.768 9.948 2.985 302 HB1 ALA 45 HB1 ALA 45 -0.303 9.284 5.064 303 HB2 ALA 45 HB2 ALA 45 0.989 10.454 5.385 304 HB3 ALA 45 HB3 ALA 45 1.259 8.734 5.709 305 H LYS 46 HN LYS 46 3.177 7.591 3.808 306 HA LYS 46 HA LYS 46 5.391 9.446 3.810 307 HB2 LYS 46 HB2 LYS 46 5.179 6.467 3.941 308 HB3 LYS 46 HB1 LYS 46 6.698 7.316 3.981 309 HG2 LYS 46 HG2 LYS 46 6.086 8.390 6.044 310 HG3 LYS 46 HG1 LYS 46 4.485 7.649 5.975 311 HD2 LYS 46 HD2 LYS 46 5.663 5.414 5.945 312 HD3 LYS 46 HD1 LYS 46 7.142 6.293 6.357 313 HE2 LYS 46 HE2 LYS 46 4.578 6.312 7.927 314 HE3 LYS 46 HE1 LYS 46 6.022 5.361 8.317 315 HZ1 LYS 46 HZ1 LYS 46 5.893 7.413 9.618 316 HZ2 LYS 46 HZ2 LYS 46 5.907 8.331 8.202 317 HZ3 LYS 46 HZ3 LYS 46 7.257 7.406 8.623 318 H LEU 47 HN LEU 47 3.811 7.211 1.673 319 HA LEU 47 HA LEU 47 5.915 7.056 -0.232 320 HB2 LEU 47 HB2 LEU 47 3.041 6.204 -0.189 321 HB3 LEU 47 HB1 LEU 47 4.032 6.021 -1.626 322 HG LEU 47 HG LEU 47 4.542 4.771 1.069 323 HD11 LEU 47 HD11 LEU 47 3.681 3.572 -1.558 324 HD12 LEU 47 HD12 LEU 47 2.697 3.732 -0.103 325 HD13 LEU 47 HD13 LEU 47 4.102 2.665 -0.105 326 HD21 LEU 47 HD21 LEU 47 6.095 4.597 -1.507 327 HD22 LEU 47 HD22 LEU 47 6.352 3.566 -0.103 328 HD23 LEU 47 HD23 LEU 47 6.639 5.300 0.015 329 H ALA 48 HN ALA 48 3.725 9.436 0.491 330 HA ALA 48 HA ALA 48 2.665 10.408 -1.816 331 HB1 ALA 48 HB1 ALA 48 2.427 12.478 -0.758 332 HB2 ALA 48 HB2 ALA 48 3.869 12.242 0.220 333 HB3 ALA 48 HB3 ALA 48 2.422 11.287 0.545 334 HA PRO 49 HA PRO 49 6.607 13.047 -2.819 335 HB2 PRO 49 HB2 PRO 49 8.725 11.552 -1.389 336 HB3 PRO 49 HB1 PRO 49 8.484 13.288 -1.528 337 HG2 PRO 49 HG2 PRO 49 7.983 12.085 0.762 338 HG3 PRO 49 HG1 PRO 49 6.857 13.320 0.153 339 HD2 PRO 49 HD2 PRO 49 6.675 10.338 -0.070 340 HD3 PRO 49 HD1 PRO 49 5.443 11.476 0.499 341 H TYR 50 HN TYR 50 6.587 9.635 -2.469 342 HA TYR 50 HA TYR 50 8.485 9.217 -4.652 343 HB2 TYR 50 HB2 TYR 50 7.204 7.190 -2.819 344 HB3 TYR 50 HB1 TYR 50 8.572 6.928 -3.896 345 HD1 TYR 50 HD1 TYR 50 10.644 8.412 -3.486 346 HD2 TYR 50 HD2 TYR 50 7.598 7.767 -0.600 347 HE1 TYR 50 HE1 TYR 50 12.226 9.010 -1.692 348 HE2 TYR 50 HE2 TYR 50 9.159 8.369 1.202 349 HH TYR 50 HH TYR 50 12.270 9.743 0.566 350 H MET 51 HN MET 51 5.348 9.850 -4.433 351 HA MET 51 HA MET 51 4.498 7.856 -6.381 352 HB2 MET 51 HB2 MET 51 2.930 10.055 -5.034 353 HB3 MET 51 HB1 MET 51 2.265 8.895 -6.177 354 HG2 MET 51 HG2 MET 51 3.427 8.289 -3.480 355 HG3 MET 51 HG1 MET 51 1.723 8.256 -3.942 356 HE1 MET 51 HE1 MET 51 1.406 7.062 -6.457 357 HE2 MET 51 HE2 MET 51 0.615 6.022 -5.259 358 HE3 MET 51 HE3 MET 51 1.689 5.317 -6.467 359 H SER 52 HN SER 52 3.784 8.344 -8.356 360 HA SER 52 HA SER 52 4.046 11.096 -9.316 361 HB2 SER 52 HB2 SER 52 5.036 8.657 -10.826 362 HB3 SER 52 HB1 SER 52 5.082 10.323 -11.406 363 HG SER 52 HG SER 52 6.266 10.426 -9.108 364 H LYS 53 HN LYS 53 2.534 8.040 -9.294 365 HA LYS 53 HA LYS 53 0.412 8.400 -11.027 366 HB2 LYS 53 HB2 LYS 53 0.838 6.334 -9.927 367 HB3 LYS 53 HB1 LYS 53 0.845 7.088 -8.350 368 HG2 LYS 53 HG2 LYS 53 -1.655 7.207 -9.870 369 HG3 LYS 53 HG1 LYS 53 -1.148 5.639 -9.277 370 HD2 LYS 53 HD2 LYS 53 -0.905 6.635 -7.009 371 HD3 LYS 53 HD1 LYS 53 -1.603 8.134 -7.640 372 HE2 LYS 53 HE2 LYS 53 -2.892 5.470 -7.169 373 HE3 LYS 53 HE1 LYS 53 -3.455 7.090 -6.743 374 HZ1 LYS 53 HZ1 LYS 53 -3.820 7.488 -9.148 375 HZ2 LYS 53 HZ2 LYS 53 -4.799 6.271 -8.510 376 HZ3 LYS 53 HZ3 LYS 53 -3.453 5.865 -9.448 377 H ASN 54 HN ASN 54 -1.857 9.019 -10.276 378 HA ASN 54 HA ASN 54 -2.345 11.515 -9.439 379 HB2 ASN 54 HB2 ASN 54 -4.019 9.845 -10.092 380 HB3 ASN 54 HB1 ASN 54 -3.914 9.144 -8.485 381 HD21 ASN 54 HD21 ASN 54 -6.074 9.526 -8.063 382 HD22 ASN 54 HD22 ASN 54 -6.685 11.112 -7.742 383 H ALA 55 HN ALA 55 -0.975 12.231 -7.989 384 HA ALA 55 HA ALA 55 -1.571 12.018 -5.201 385 HB1 ALA 55 HB1 ALA 55 0.496 11.015 -4.518 386 HB2 ALA 55 HB2 ALA 55 1.073 10.971 -6.190 387 HB3 ALA 55 HB3 ALA 55 -0.291 9.955 -5.697 388 H LYS 56 HN LYS 56 0.510 13.035 -3.979 389 HA LYS 56 HA LYS 56 2.279 14.726 -5.272 390 HB2 LYS 56 HB2 LYS 56 0.236 16.031 -5.851 391 HB3 LYS 56 HB1 LYS 56 -0.057 16.263 -4.138 392 HG2 LYS 56 HG2 LYS 56 0.950 18.247 -4.967 393 HG3 LYS 56 HG1 LYS 56 2.160 17.412 -3.992 394 HD2 LYS 56 HD2 LYS 56 2.115 16.803 -6.890 395 HD3 LYS 56 HD1 LYS 56 2.676 18.407 -6.426 396 HE2 LYS 56 HE2 LYS 56 4.380 17.444 -5.014 397 HE3 LYS 56 HE1 LYS 56 3.772 15.822 -5.323 398 HZ1 LYS 56 HZ1 LYS 56 4.954 17.644 -7.345 399 HZ2 LYS 56 HZ2 LYS 56 4.353 16.099 -7.657 400 HZ3 LYS 56 HZ3 LYS 56 5.709 16.291 -6.669 401 H ASN 57 HN ASN 57 0.421 15.833 -2.461 402 HA ASN 57 HA ASN 57 2.686 15.148 -0.741 403 HB2 ASN 57 HB2 ASN 57 0.234 16.854 -0.247 404 HB3 ASN 57 HB1 ASN 57 1.407 16.452 0.999 405 HD21 ASN 57 HD21 ASN 57 3.507 17.298 0.850 406 HD22 ASN 57 HD22 ASN 57 3.836 18.707 -0.095 407 H GLU 58 HN GLU 58 1.461 14.743 1.640 408 HA GLU 58 HA GLU 58 0.655 12.066 1.453 409 HB2 GLU 58 HB2 GLU 58 1.151 12.161 3.618 410 HB3 GLU 58 HB1 GLU 58 1.275 13.908 3.503 411 HG2 GLU 58 HG2 GLU 58 -1.115 14.085 3.910 412 HG3 GLU 58 HG1 GLU 58 -1.190 12.336 4.121 413 H ASP 59 HN ASP 59 -1.154 15.034 1.861 414 HA ASP 59 HA ASP 59 -3.729 13.852 1.825 415 HB2 ASP 59 HB2 ASP 59 -3.472 16.063 2.706 416 HB3 ASP 59 HB1 ASP 59 -2.744 16.629 1.213 417 H GLY 60 HN GLY 60 -1.503 14.962 -0.620 418 HA2 GLY 60 HA2 GLY 60 -3.265 14.946 -2.831 419 HA3 GLY 60 HA1 GLY 60 -1.511 14.868 -2.909 420 H ILE 61 HN ILE 61 -1.310 12.421 -1.345 421 HA ILE 61 HA ILE 61 -1.867 10.627 -3.548 422 HB ILE 61 HB ILE 61 0.356 10.474 -2.739 423 HG12 ILE 61 HG12 ILE 61 0.556 8.181 -2.157 424 HG13 ILE 61 HG11 ILE 61 -1.080 8.140 -1.494 425 HG21 ILE 61 HG21 ILE 61 -0.781 10.071 0.015 426 HG22 ILE 61 HG22 ILE 61 0.120 11.472 -0.560 427 HG23 ILE 61 HG23 ILE 61 0.920 9.907 -0.415 428 HD11 ILE 61 HD11 ILE 61 -0.813 7.067 -3.748 429 HD12 ILE 61 HD12 ILE 61 -0.446 8.658 -4.402 430 HD13 ILE 61 HD13 ILE 61 -2.035 8.342 -3.685 431 H VAL 62 HN VAL 62 -2.363 10.655 -0.080 432 HA VAL 62 HA VAL 62 -3.584 8.131 -0.014 433 HB VAL 62 HB VAL 62 -3.648 10.370 2.002 434 HG11 VAL 62 HG11 VAL 62 -5.455 8.753 2.386 435 HG12 VAL 62 HG12 VAL 62 -4.203 8.682 3.636 436 HG13 VAL 62 HG13 VAL 62 -4.257 7.448 2.378 437 HG21 VAL 62 HG21 VAL 62 -1.623 8.640 1.069 438 HG22 VAL 62 HG22 VAL 62 -2.064 8.144 2.715 439 HG23 VAL 62 HG23 VAL 62 -1.550 9.810 2.399 440 H ASN 63 HN ASN 63 -4.981 11.378 0.063 441 HA ASN 63 HA ASN 63 -7.664 10.489 0.231 442 HB2 ASN 63 HB2 ASN 63 -6.909 12.786 0.792 443 HB3 ASN 63 HB1 ASN 63 -6.642 13.093 -0.919 444 HD21 ASN 63 HD21 ASN 63 -9.005 12.663 1.582 445 HD22 ASN 63 HD22 ASN 63 -10.366 13.208 0.667 446 H SER 64 HN SER 64 -5.414 10.666 -2.326 447 HA SER 64 HA SER 64 -7.304 10.588 -4.495 448 HB2 SER 64 HB2 SER 64 -4.327 10.341 -4.233 449 HB3 SER 64 HB1 SER 64 -5.105 9.957 -5.761 450 HG SER 64 HG SER 64 -4.427 12.325 -4.838 451 H LEU 65 HN LEU 65 -5.754 8.345 -2.435 452 HA LEU 65 HA LEU 65 -6.056 6.091 -4.229 453 HB2 LEU 65 HB2 LEU 65 -4.990 6.304 -1.426 454 HB3 LEU 65 HB1 LEU 65 -5.038 4.822 -2.364 455 HG LEU 65 HG LEU 65 -3.513 7.285 -3.146 456 HD11 LEU 65 HD11 LEU 65 -1.561 6.098 -2.416 457 HD12 LEU 65 HD12 LEU 65 -2.524 4.688 -2.000 458 HD13 LEU 65 HD13 LEU 65 -2.699 6.181 -1.078 459 HD21 LEU 65 HD21 LEU 65 -3.619 4.490 -4.218 460 HD22 LEU 65 HD22 LEU 65 -2.439 5.705 -4.710 461 HD23 LEU 65 HD23 LEU 65 -4.154 5.955 -5.039 462 H ALA 66 HN ALA 66 -7.046 4.106 -3.530 463 HA ALA 66 HA ALA 66 -9.694 4.265 -2.830 464 HB1 ALA 66 HB1 ALA 66 -9.686 1.908 -2.586 465 HB2 ALA 66 HB2 ALA 66 -7.979 1.897 -2.130 466 HB3 ALA 66 HB3 ALA 66 -8.442 2.268 -3.797 467 H LYS 67 HN LYS 67 -10.886 3.999 -1.013 468 HA LYS 67 HA LYS 67 -9.408 4.353 1.494 469 HB2 LYS 67 HB2 LYS 67 -12.080 5.475 0.678 470 HB3 LYS 67 HB1 LYS 67 -11.435 5.571 2.303 471 HG2 LYS 67 HG2 LYS 67 -10.481 6.951 -0.177 472 HG3 LYS 67 HG1 LYS 67 -10.934 7.648 1.380 473 HD2 LYS 67 HD2 LYS 67 -8.939 6.305 2.307 474 HD3 LYS 67 HD1 LYS 67 -8.440 6.173 0.616 475 HE2 LYS 67 HE2 LYS 67 -7.310 8.033 1.705 476 HE3 LYS 67 HE1 LYS 67 -8.407 8.618 0.451 477 HZ1 LYS 67 HZ1 LYS 67 -10.032 9.124 2.198 478 HZ2 LYS 67 HZ2 LYS 67 -8.588 9.971 2.417 479 HZ3 LYS 67 HZ3 LYS 67 -8.926 8.623 3.376 480 H ASP 68 HN ASP 68 -9.932 3.158 3.220 481 HA ASP 68 HA ASP 68 -11.555 0.801 2.710 482 HB2 ASP 68 HB2 ASP 68 -10.434 -0.214 4.482 483 HB3 ASP 68 HB1 ASP 68 -9.213 0.898 3.885 484 H LYS 69 HN LYS 69 -13.303 0.173 4.121 485 HA LYS 69 HA LYS 69 -14.915 2.543 4.438 486 HB2 LYS 69 HB2 LYS 69 -15.594 0.483 3.140 487 HB3 LYS 69 HB1 LYS 69 -15.843 -0.281 4.696 488 HG2 LYS 69 HG2 LYS 69 -17.937 0.544 3.815 489 HG3 LYS 69 HG1 LYS 69 -17.495 1.417 5.284 490 HD2 LYS 69 HD2 LYS 69 -18.357 2.931 3.561 491 HD3 LYS 69 HD1 LYS 69 -16.673 3.283 3.940 492 HE2 LYS 69 HE2 LYS 69 -16.007 1.950 1.952 493 HE3 LYS 69 HE1 LYS 69 -17.714 1.757 1.555 494 HZ1 LYS 69 HZ1 LYS 69 -17.918 4.104 1.256 495 HZ2 LYS 69 HZ2 LYS 69 -16.598 3.575 0.340 496 HZ3 LYS 69 HZ3 LYS 69 -16.342 4.375 1.806 497 H SER 70 HN SER 70 -13.996 -0.207 6.507 498 HA SER 70 HA SER 70 -15.650 0.916 8.623 499 HB2 SER 70 HB2 SER 70 -14.904 -1.231 9.831 500 HB3 SER 70 HB1 SER 70 -15.981 -1.390 8.442 501 HG SER 70 HG SER 70 -14.512 -2.575 7.562 502 H GLY 71 HN GLY 71 -12.248 0.529 7.873 503 HA2 GLY 71 HA2 GLY 71 -10.414 1.445 8.938 504 HA3 GLY 71 HA1 GLY 71 -11.507 2.215 10.075 505 H ASN 72 HN ASN 72 -11.896 -1.144 9.630 506 HA ASN 72 HA ASN 72 -11.467 -1.572 12.429 507 HB2 ASN 72 HB2 ASN 72 -13.320 -2.641 11.229 508 HB3 ASN 72 HB1 ASN 72 -12.174 -3.518 10.221 509 HD21 ASN 72 HD21 ASN 72 -12.777 -5.545 10.820 510 HD22 ASN 72 HD22 ASN 72 -12.558 -6.178 12.413 511 H SER 73 HN SER 73 -9.500 -1.960 9.616 512 HA SER 73 HA SER 73 -7.986 -4.130 10.846 513 HB2 SER 73 HB2 SER 73 -8.746 -4.245 8.447 514 HB3 SER 73 HB1 SER 73 -7.587 -2.965 8.092 515 HG SER 73 HG SER 73 -5.925 -4.324 8.718 516 H SER 74 HN SER 74 -7.864 -0.834 10.854 517 HA SER 74 HA SER 74 -6.309 0.730 11.367 518 HB2 SER 74 HB2 SER 74 -4.667 -1.628 12.314 519 HB3 SER 74 HB1 SER 74 -4.470 0.053 12.806 520 HG SER 74 HG SER 74 -6.929 -0.396 13.348 521 H THR 75 HN THR 75 -6.301 0.599 8.894 522 HA THR 75 HA THR 75 -4.219 -0.652 7.479 523 HB THR 75 HB THR 75 -6.425 0.075 6.548 524 HG1 THR 75 HG1 THR 75 -5.182 1.182 4.618 525 HG21 THR 75 HG21 THR 75 -5.165 2.799 6.300 526 HG22 THR 75 HG22 THR 75 -6.274 2.373 7.611 527 HG23 THR 75 HG23 THR 75 -6.828 2.322 5.937 528 H SER 76 HN SER 76 -4.069 2.047 9.467 529 HA SER 76 HA SER 76 -2.378 3.456 10.004 530 HB2 SER 76 HB2 SER 76 -0.884 1.516 9.468 531 HB3 SER 76 HB1 SER 76 -0.753 2.129 7.822 532 HG SER 76 HG SER 76 0.672 2.830 9.932 533 H ALA 77 HN ALA 77 -2.596 3.026 6.464 534 HA ALA 77 HA ALA 77 -2.012 5.732 5.817 535 HB1 ALA 77 HB1 ALA 77 -3.724 3.781 4.274 536 HB2 ALA 77 HB2 ALA 77 -1.965 3.896 4.150 537 HB3 ALA 77 HB3 ALA 77 -2.980 5.261 3.640 538 HA PRO 78 HA PRO 78 -5.559 7.688 7.556 539 HB2 PRO 78 HB2 PRO 78 -5.037 9.534 5.277 540 HB3 PRO 78 HB1 PRO 78 -5.333 9.924 6.970 541 HG2 PRO 78 HG2 PRO 78 -2.882 10.033 6.026 542 HG3 PRO 78 HG1 PRO 78 -3.179 9.256 7.587 543 HD2 PRO 78 HD2 PRO 78 -2.666 8.002 4.937 544 HD3 PRO 78 HD1 PRO 78 -2.077 7.527 6.543 545 H GLY 79 HN GLY 79 -7.305 6.477 7.161 546 HA2 GLY 79 HA2 GLY 79 -9.271 5.774 6.231 547 HA3 GLY 79 HA1 GLY 79 -9.167 7.179 5.190 548 H SER 80 HN SER 80 -6.421 5.340 4.612 549 HA SER 80 HA SER 80 -7.623 4.705 2.016 550 HB2 SER 80 HB2 SER 80 -5.096 5.747 2.918 551 HB3 SER 80 HB1 SER 80 -4.878 4.367 1.849 552 HG SER 80 HG SER 80 -6.564 5.575 0.524 553 H ALA 81 HN ALA 81 -7.476 2.901 0.984 554 HA ALA 81 HA ALA 81 -7.306 0.476 2.468 555 HB1 ALA 81 HB1 ALA 81 -8.995 0.857 0.769 556 HB2 ALA 81 HB2 ALA 81 -7.997 -0.547 0.354 557 HB3 ALA 81 HB3 ALA 81 -7.735 1.001 -0.457 558 H HIS 82 HN HIS 82 -4.739 1.754 2.353 559 HA HIS 82 HA HIS 82 -3.353 -0.526 1.214 560 HB2 HIS 82 HB2 HIS 82 -2.504 2.329 0.837 561 HB3 HIS 82 HB1 HIS 82 -1.485 0.963 0.522 562 HD1 HIS 82 HD1 HIS 82 -2.198 -0.529 -1.588 563 HD2 HIS 82 HD2 HIS 82 -4.291 3.023 -1.112 564 HE1 HIS 82 HE1 HIS 82 -3.364 -0.128 -3.786 565 HE2 HIS 82 HE2 HIS 82 -4.734 1.972 -3.431 566 H GLN 83 HN GLN 83 -2.078 -1.470 2.612 567 HA GLN 83 HA GLN 83 -0.782 0.048 4.740 568 HB2 GLN 83 HB2 GLN 83 -2.891 -0.709 5.741 569 HB3 GLN 83 HB1 GLN 83 -2.577 -2.348 5.193 570 HG2 GLN 83 HG2 GLN 83 -0.473 -2.241 6.630 571 HG3 GLN 83 HG1 GLN 83 -1.194 -0.804 7.355 572 HE21 GLN 83 HE21 GLN 83 -0.570 -3.369 8.567 573 HE22 GLN 83 HE22 GLN 83 -2.061 -3.978 9.203 574 H ILE 84 HN ILE 84 1.286 -0.557 4.618 575 HA ILE 84 HA ILE 84 1.920 -3.014 3.257 576 HB ILE 84 HB ILE 84 3.344 -0.517 3.974 577 HG12 ILE 84 HG12 ILE 84 3.713 -1.682 1.367 578 HG13 ILE 84 HG11 ILE 84 2.006 -1.611 1.787 579 HG21 ILE 84 HG21 ILE 84 5.462 -1.447 3.161 580 HG22 ILE 84 HG22 ILE 84 4.723 -3.045 3.071 581 HG23 ILE 84 HG23 ILE 84 4.928 -2.254 4.635 582 HD11 ILE 84 HD11 ILE 84 2.492 0.391 0.657 583 HD12 ILE 84 HD12 ILE 84 3.985 0.631 1.558 584 HD13 ILE 84 HD13 ILE 84 2.427 0.827 2.365 585 H ASP 85 HN ASP 85 2.773 -4.767 4.115 586 HA ASP 85 HA ASP 85 3.007 -4.999 7.004 587 HB2 ASP 85 HB2 ASP 85 1.927 -6.783 5.528 588 HB3 ASP 85 HB1 ASP 85 3.534 -7.113 4.905 589 H THR 86 HN THR 86 4.902 -4.463 7.920 590 HA THR 86 HA THR 86 7.276 -4.403 6.280 591 HB THR 86 HB THR 86 8.303 -3.376 8.297 592 HG1 THR 86 HG1 THR 86 7.215 -3.912 10.071 593 HG21 THR 86 HG21 THR 86 7.340 -2.031 6.550 594 HG22 THR 86 HG22 THR 86 6.944 -1.315 8.118 595 HG23 THR 86 HG23 THR 86 5.727 -2.239 7.237 596 H THR 87 HN THR 87 5.879 -6.437 8.681 597 HA THR 87 HA THR 87 8.161 -7.728 9.662 598 HB THR 87 HB THR 87 5.346 -8.756 9.277 599 HG1 THR 87 HG1 THR 87 5.191 -8.224 11.514 600 HG21 THR 87 HG21 THR 87 6.932 -10.599 9.489 601 HG22 THR 87 HG22 THR 87 5.917 -10.463 10.925 602 HG23 THR 87 HG23 THR 87 7.580 -9.878 10.962 603 H ASN 88 HN ASN 88 5.942 -8.645 7.036 604 HA ASN 88 HA ASN 88 7.899 -10.613 6.097 605 HB2 ASN 88 HB2 ASN 88 5.049 -10.061 5.270 606 HB3 ASN 88 HB1 ASN 88 6.060 -11.313 4.561 607 HD21 ASN 88 HD21 ASN 88 7.322 -11.994 7.110 608 HD22 ASN 88 HD22 ASN 88 6.131 -12.859 8.015 609 H HIS 89 HN HIS 89 6.845 -7.466 5.515 610 HA HIS 89 HA HIS 89 7.784 -5.825 4.272 611 HB2 HIS 89 HB2 HIS 89 9.632 -8.070 3.770 612 HB3 HIS 89 HB1 HIS 89 9.641 -6.816 2.539 613 HD1 HIS 89 HD1 HIS 89 11.750 -7.588 5.009 614 HD2 HIS 89 HD2 HIS 89 9.390 -4.201 4.511 615 HE1 HIS 89 HE1 HIS 89 12.849 -5.788 6.379 616 HE2 HIS 89 HE2 HIS 89 11.314 -3.803 6.191 617 H LYS 90 HN LYS 90 5.447 -6.710 3.607 618 HA LYS 90 HA LYS 90 5.388 -7.056 0.688 619 HB2 LYS 90 HB2 LYS 90 3.684 -7.965 2.947 620 HB3 LYS 90 HB1 LYS 90 2.939 -7.771 1.383 621 HG2 LYS 90 HG2 LYS 90 4.541 -9.376 0.439 622 HG3 LYS 90 HG1 LYS 90 5.287 -9.551 2.030 623 HD2 LYS 90 HD2 LYS 90 2.442 -10.243 1.296 624 HD3 LYS 90 HD1 LYS 90 3.748 -11.384 1.624 625 HE2 LYS 90 HE2 LYS 90 3.906 -10.554 3.909 626 HE3 LYS 90 HE1 LYS 90 2.628 -9.391 3.591 627 HZ1 LYS 90 HZ1 LYS 90 1.751 -11.303 4.729 628 HZ2 LYS 90 HZ2 LYS 90 2.359 -12.347 3.548 629 HZ3 LYS 90 HZ3 LYS 90 1.124 -11.259 3.160 630 H LEU 91 HN LEU 91 4.041 -5.764 -0.530 631 HA LEU 91 HA LEU 91 2.894 -3.363 0.695 632 HB2 LEU 91 HB2 LEU 91 4.103 -3.381 -1.591 633 HB3 LEU 91 HB1 LEU 91 2.734 -4.233 -2.161 634 HG LEU 91 HG LEU 91 2.132 -2.212 -2.889 635 HD11 LEU 91 HD11 LEU 91 0.310 -2.720 -1.440 636 HD12 LEU 91 HD12 LEU 91 0.632 -0.988 -1.353 637 HD13 LEU 91 HD13 LEU 91 1.167 -2.053 -0.047 638 HD21 LEU 91 HD21 LEU 91 2.734 -0.097 -1.903 639 HD22 LEU 91 HD22 LEU 91 4.140 -1.120 -2.203 640 HD23 LEU 91 HD23 LEU 91 3.508 -0.942 -0.565 641 H ILE 92 HN ILE 92 1.117 -3.964 1.777 642 HA ILE 92 HA ILE 92 -0.861 -5.661 0.478 643 HB ILE 92 HB ILE 92 -0.352 -4.729 3.267 644 HG12 ILE 92 HG12 ILE 92 -0.907 -7.269 3.599 645 HG13 ILE 92 HG11 ILE 92 -0.630 -7.353 1.862 646 HG21 ILE 92 HG21 ILE 92 -2.978 -5.909 2.345 647 HG22 ILE 92 HG22 ILE 92 -2.722 -4.267 2.931 648 HG23 ILE 92 HG23 ILE 92 -2.506 -5.637 4.020 649 HD11 ILE 92 HD11 ILE 92 1.589 -6.529 2.124 650 HD12 ILE 92 HD12 ILE 92 1.343 -7.903 3.203 651 HD13 ILE 92 HD13 ILE 92 1.326 -6.262 3.842 652 H SER 93 HN SER 93 -2.779 -4.852 -0.190 653 HA SER 93 HA SER 93 -3.351 -2.082 0.514 654 HB2 SER 93 HB2 SER 93 -4.826 -1.987 -1.353 655 HB3 SER 93 HB1 SER 93 -3.348 -2.762 -1.928 656 HG SER 93 HG SER 93 -5.602 -4.210 -1.004 657 H THR 94 HN THR 94 -4.670 -1.908 2.273 658 HA THR 94 HA THR 94 -6.192 -4.295 2.955 659 HB THR 94 HB THR 94 -5.563 -1.861 4.625 660 HG1 THR 94 HG1 THR 94 -4.091 -3.231 5.646 661 HG21 THR 94 HG21 THR 94 -6.967 -4.447 5.257 662 HG22 THR 94 HG22 THR 94 -7.633 -2.818 5.342 663 HG23 THR 94 HG23 THR 94 -6.384 -3.321 6.484 664 H PHE 95 HN PHE 95 -8.132 -4.290 2.074 665 HA PHE 95 HA PHE 95 -9.695 -1.811 2.153 666 HB2 PHE 95 HB2 PHE 95 -9.475 -3.318 0.033 667 HB3 PHE 95 HB1 PHE 95 -10.600 -4.364 0.899 668 HD1 PHE 95 HD1 PHE 95 -12.862 -3.545 1.499 669 HD2 PHE 95 HD2 PHE 95 -10.228 -1.282 -0.971 670 HE1 PHE 95 HE1 PHE 95 -14.750 -2.151 0.758 671 HE2 PHE 95 HE2 PHE 95 -12.114 0.106 -1.718 672 HZ PHE 95 HZ PHE 95 -14.377 -0.326 -0.852 673 H THR 96 HN THR 96 -10.494 -1.756 4.213 674 HA THR 96 HA THR 96 -11.499 -4.183 5.402 675 HB THR 96 HB THR 96 -12.017 -1.674 6.828 676 HG1 THR 96 HG1 THR 96 -10.078 -0.854 6.541 677 HG21 THR 96 HG21 THR 96 -12.231 -3.820 7.891 678 HG22 THR 96 HG22 THR 96 -10.857 -2.975 8.603 679 HG23 THR 96 HG23 THR 96 -10.590 -4.258 7.420 680 HA PRO 97 HA PRO 97 -15.467 -3.240 3.481 681 HB2 PRO 97 HB2 PRO 97 -16.562 -5.618 4.398 682 HB3 PRO 97 HB1 PRO 97 -15.787 -5.380 2.832 683 HG2 PRO 97 HG2 PRO 97 -14.774 -6.688 5.270 684 HG3 PRO 97 HG1 PRO 97 -14.337 -6.954 3.575 685 HD2 PRO 97 HD2 PRO 97 -12.792 -5.622 5.392 686 HD3 PRO 97 HD1 PRO 97 -12.679 -5.416 3.643 687 H SER 98 HN SER 98 -17.657 -3.115 4.259 688 HA SER 98 HA SER 98 -17.805 -1.845 6.789 689 HB2 SER 98 HB2 SER 98 -20.152 -2.777 5.140 690 HB3 SER 98 HB1 SER 98 -20.063 -1.382 6.215 691 HG SER 98 HG SER 98 -19.581 -0.326 4.472 692 H ASN 99 HN ASN 99 -18.254 -5.057 5.694 693 HA ASN 99 HA ASN 99 -19.957 -6.001 7.775 694 HB2 ASN 99 HB2 ASN 99 -18.155 -7.308 5.771 695 HB3 ASN 99 HB1 ASN 99 -18.950 -8.248 7.015 696 HD21 ASN 99 HD21 ASN 99 -20.146 -9.400 5.502 697 HD22 ASN 99 HD22 ASN 99 -21.468 -8.691 4.641 698 H GLY 100 HN GLY 100 -16.633 -5.334 7.528 699 HA2 GLY 100 HA2 GLY 100 -15.054 -5.260 9.240 700 HA3 GLY 100 HA1 GLY 100 -16.183 -6.122 10.277 701 H GLY 101 HN GLY 101 -15.929 -7.576 7.292 702 HA2 GLY 101 HA2 GLY 101 -14.621 -9.877 8.410 703 HA3 GLY 101 HA1 GLY 101 -15.254 -9.722 6.780 704 H GLN 102 HN GLN 102 -13.262 -10.921 6.292 705 HA GLN 102 HA GLN 102 -10.693 -9.879 6.658 706 HB2 GLN 102 HB2 GLN 102 -11.823 -11.751 4.584 707 HB3 GLN 102 HB1 GLN 102 -10.125 -11.302 4.607 708 HG2 GLN 102 HG2 GLN 102 -10.322 -13.389 5.703 709 HG3 GLN 102 HG1 GLN 102 -10.003 -12.173 6.939 710 HE21 GLN 102 HE21 GLN 102 -12.357 -14.347 5.591 711 HE22 GLN 102 HE22 GLN 102 -13.479 -14.265 6.903 712 H ALA 103 HN ALA 103 -9.478 -8.470 5.595 713 HA ALA 103 HA ALA 103 -10.795 -6.607 3.824 714 HB1 ALA 103 HB1 ALA 103 -8.687 -5.381 3.896 715 HB2 ALA 103 HB2 ALA 103 -7.936 -6.710 4.791 716 HB3 ALA 103 HB3 ALA 103 -9.258 -5.789 5.516 717 H THR 104 HN THR 104 -10.276 -6.087 1.871 718 HA THR 104 HA THR 104 -9.448 -8.272 0.178 719 HB THR 104 HB THR 104 -10.876 -5.705 -0.113 720 HG1 THR 104 HG1 THR 104 -11.373 -8.417 -0.633 721 HG21 THR 104 HG21 THR 104 -10.916 -6.048 -2.594 722 HG22 THR 104 HG22 THR 104 -9.537 -7.138 -2.383 723 HG23 THR 104 HG23 THR 104 -9.404 -5.434 -1.922 724 H VAL 105 HN VAL 105 -7.437 -8.420 -0.728 725 HA VAL 105 HA VAL 105 -5.685 -6.078 -0.346 726 HB VAL 105 HB VAL 105 -4.986 -8.954 0.200 727 HG11 VAL 105 HG11 VAL 105 -3.348 -6.452 0.503 728 HG12 VAL 105 HG12 VAL 105 -3.057 -7.784 -0.614 729 HG13 VAL 105 HG13 VAL 105 -2.883 -8.033 1.124 730 HG21 VAL 105 HG21 VAL 105 -6.412 -8.122 1.958 731 HG22 VAL 105 HG22 VAL 105 -5.441 -6.655 2.094 732 HG23 VAL 105 HG23 VAL 105 -4.752 -8.211 2.559 733 H LEU 106 HN LEU 106 -4.410 -5.544 -1.900 734 HA LEU 106 HA LEU 106 -3.639 -7.466 -3.985 735 HB2 LEU 106 HB2 LEU 106 -3.743 -4.458 -3.887 736 HB3 LEU 106 HB1 LEU 106 -2.813 -5.300 -5.106 737 HG LEU 106 HG LEU 106 -4.866 -4.703 -6.098 738 HD11 LEU 106 HD11 LEU 106 -5.840 -6.855 -6.677 739 HD12 LEU 106 HD12 LEU 106 -5.090 -7.599 -5.265 740 HD13 LEU 106 HD13 LEU 106 -4.083 -6.989 -6.580 741 HD21 LEU 106 HD21 LEU 106 -6.338 -6.064 -3.828 742 HD22 LEU 106 HD22 LEU 106 -7.038 -5.129 -5.157 743 HD23 LEU 106 HD23 LEU 106 -6.070 -4.325 -3.929 744 H THR 107 HN THR 107 -1.649 -8.329 -3.695 745 HA THR 107 HA THR 107 0.064 -6.974 -1.719 746 HB THR 107 HB THR 107 0.183 -9.907 -2.344 747 HG1 THR 107 HG1 THR 107 -1.220 -8.950 -0.105 748 HG21 THR 107 HG21 THR 107 1.125 -10.041 -0.086 749 HG22 THR 107 HG22 THR 107 0.958 -8.294 0.096 750 HG23 THR 107 HG23 THR 107 2.072 -8.952 -1.103 751 H TYR 108 HN TYR 108 2.186 -6.762 -1.976 752 HA TYR 108 HA TYR 108 3.563 -7.881 -4.318 753 HB2 TYR 108 HB2 TYR 108 3.266 -5.636 -5.018 754 HB3 TYR 108 HB1 TYR 108 3.442 -5.029 -3.410 755 HD1 TYR 108 HD1 TYR 108 5.408 -4.126 -2.688 756 HD2 TYR 108 HD2 TYR 108 5.419 -6.597 -6.143 757 HE1 TYR 108 HE1 TYR 108 7.721 -3.473 -3.121 758 HE2 TYR 108 HE2 TYR 108 7.761 -5.975 -6.580 759 HH TYR 108 HH TYR 108 9.288 -4.089 -6.050 760 H ASP 109 HN ASP 109 5.750 -8.462 -3.832 761 HA ASP 109 HA ASP 109 6.424 -8.213 -0.969 762 HB2 ASP 109 HB2 ASP 109 5.965 -10.539 -1.959 763 HB3 ASP 109 HB1 ASP 109 7.492 -10.344 -2.814 764 H TRP 110 HN TRP 110 7.893 -6.626 -0.735 765 HA TRP 110 HA TRP 110 9.590 -5.756 -2.845 766 HB2 TRP 110 HB2 TRP 110 9.105 -4.051 -1.342 767 HB3 TRP 110 HB1 TRP 110 9.338 -5.074 0.065 768 HD1 TRP 110 HD1 TRP 110 11.424 -3.223 -2.612 769 HE1 TRP 110 HE1 TRP 110 13.735 -2.685 -1.603 770 HE3 TRP 110 HE3 TRP 110 10.950 -5.651 1.852 771 HZ2 TRP 110 HZ2 TRP 110 15.157 -3.229 0.772 772 HZ3 TRP 110 HZ3 TRP 110 12.826 -5.596 3.437 773 HH2 TRP 110 HH2 TRP 110 14.892 -4.408 2.915 774 H SER 111 HN SER 111 10.060 -7.794 -0.036 775 HA SER 111 HA SER 111 12.845 -8.023 -0.199 776 HB2 SER 111 HB2 SER 111 10.726 -9.726 1.040 777 HB3 SER 111 HB1 SER 111 12.431 -10.025 1.252 778 HG SER 111 HG SER 111 12.528 -8.452 2.632 779 H ALA 112 HN ALA 112 10.233 -9.769 -1.733 780 HA ALA 112 HA ALA 112 12.139 -11.571 -3.013 781 HB1 ALA 112 HB1 ALA 112 10.214 -12.785 -3.829 782 HB2 ALA 112 HB2 ALA 112 9.140 -11.530 -3.213 783 HB3 ALA 112 HB3 ALA 112 10.075 -12.517 -2.091 784 H ASN 113 HN ASN 113 11.642 -8.608 -3.557 785 HA ASN 113 HA ASN 113 11.547 -7.146 -5.269 786 HB2 ASN 113 HB2 ASN 113 12.920 -9.483 -6.577 787 HB3 ASN 113 HB1 ASN 113 12.812 -7.883 -7.289 788 HD21 ASN 113 HD21 ASN 113 14.247 -9.814 -4.807 789 HD22 ASN 113 HD22 ASN 113 15.434 -8.661 -4.311 790 H GLY 114 HN GLY 114 9.126 -8.212 -4.936 791 HA2 GLY 114 HA2 GLY 114 7.178 -7.916 -6.297 792 HA3 GLY 114 HA1 GLY 114 8.113 -8.448 -7.692 793 H VAL 115 HN VAL 115 8.602 -10.632 -7.929 794 HA VAL 115 HA VAL 115 7.488 -12.480 -5.976 795 HB VAL 115 HB VAL 115 5.785 -12.350 -7.722 796 HG11 VAL 115 HG11 VAL 115 7.981 -13.163 -9.615 797 HG12 VAL 115 HG12 VAL 115 7.140 -11.613 -9.586 798 HG13 VAL 115 HG13 VAL 115 6.265 -13.084 -10.012 799 HG21 VAL 115 HG21 VAL 115 6.070 -14.482 -6.636 800 HG22 VAL 115 HG22 VAL 115 7.378 -14.914 -7.738 801 HG23 VAL 115 HG23 VAL 115 5.728 -14.756 -8.345 802 H ASN 116 HN ASN 116 8.758 -14.163 -5.593 803 HA ASN 116 HA ASN 116 11.437 -14.142 -6.501 804 HB2 ASN 116 HB2 ASN 116 10.709 -14.950 -4.272 805 HB3 ASN 116 HB1 ASN 116 9.916 -16.316 -5.044 806 HD21 ASN 116 HD21 ASN 116 12.958 -14.882 -4.179 807 HD22 ASN 116 HD22 ASN 116 13.929 -16.285 -4.466 808 H SER 117 HN SER 117 12.491 -15.492 -7.942 809 HA SER 117 HA SER 117 10.931 -16.632 -10.042 810 HB2 SER 117 HB2 SER 117 13.907 -16.815 -9.511 811 HB3 SER 117 HB1 SER 117 13.104 -17.245 -11.023 812 HG SER 117 HG SER 117 13.925 -14.831 -10.183 813 H ASN 118 HN ASN 118 9.807 -17.980 -8.331 814 HA ASN 118 HA ASN 118 11.227 -20.451 -7.696 815 HB2 ASN 118 HB2 ASN 118 10.016 -19.387 -5.868 816 HB3 ASN 118 HB1 ASN 118 8.532 -19.390 -6.813 817 HD21 ASN 118 HD21 ASN 118 10.837 -21.378 -5.092 818 HD22 ASN 118 HD22 ASN 118 9.796 -22.745 -4.905 Start of MODEL 8 1 H1 HIS 6 HT1 HIS 6 -21.286 -6.486 -7.526 2 H2 HIS 6 HT2 HIS 6 -20.658 -5.961 -6.049 3 H3 HIS 6 HT3 HIS 6 -19.718 -6.940 -7.064 4 HA HIS 6 HA HIS 6 -19.728 -5.180 -8.746 5 HB2 HIS 6 HB2 HIS 6 -21.208 -3.727 -6.560 6 HB3 HIS 6 HB1 HIS 6 -20.318 -2.863 -7.804 7 HD1 HIS 6 HD1 HIS 6 -23.575 -4.229 -7.080 8 HD2 HIS 6 HD2 HIS 6 -21.328 -3.522 -10.507 9 HE1 HIS 6 HE1 HIS 6 -25.222 -4.211 -8.979 10 HE2 HIS 6 HE2 HIS 6 -23.860 -3.636 -11.018 11 H GLN 7 HN GLN 7 -19.423 -4.107 -5.356 12 HA GLN 7 HA GLN 7 -16.898 -2.951 -5.654 13 HB2 GLN 7 HB2 GLN 7 -18.157 -2.334 -3.778 14 HB3 GLN 7 HB1 GLN 7 -18.394 -4.004 -3.312 15 HG2 GLN 7 HG2 GLN 7 -16.021 -4.179 -2.723 16 HG3 GLN 7 HG1 GLN 7 -15.817 -2.474 -3.135 17 HE21 GLN 7 HE21 GLN 7 -16.750 -0.901 -1.812 18 HE22 GLN 7 HE22 GLN 7 -17.260 -1.250 -0.197 19 H ASP 8 HN ASP 8 -17.877 -6.217 -5.152 20 HA ASP 8 HA ASP 8 -15.509 -7.236 -4.074 21 HB2 ASP 8 HB2 ASP 8 -16.345 -9.416 -4.713 22 HB3 ASP 8 HB1 ASP 8 -17.693 -8.438 -4.142 23 H ASN 9 HN ASN 9 -16.542 -6.667 -7.366 24 HA ASN 9 HA ASN 9 -14.067 -7.662 -8.481 25 HB2 ASN 9 HB2 ASN 9 -16.499 -6.302 -9.617 26 HB3 ASN 9 HB1 ASN 9 -15.045 -6.523 -10.581 27 HD21 ASN 9 HD21 ASN 9 -17.683 -8.143 -8.969 28 HD22 ASN 9 HD22 ASN 9 -17.486 -9.666 -9.762 29 H ALA 10 HN ALA 10 -15.575 -4.663 -7.612 30 HA ALA 10 HA ALA 10 -13.903 -2.859 -8.961 31 HB1 ALA 10 HB1 ALA 10 -15.353 -2.498 -6.345 32 HB2 ALA 10 HB2 ALA 10 -16.003 -2.170 -7.956 33 HB3 ALA 10 HB3 ALA 10 -14.656 -1.204 -7.326 34 H ARG 11 HN ARG 11 -13.784 -4.054 -5.635 35 HA ARG 11 HA ARG 11 -11.687 -2.585 -4.649 36 HB2 ARG 11 HB2 ARG 11 -11.226 -4.507 -3.148 37 HB3 ARG 11 HB1 ARG 11 -12.939 -4.068 -3.218 38 HG2 ARG 11 HG2 ARG 11 -13.262 -5.903 -4.864 39 HG3 ARG 11 HG1 ARG 11 -11.586 -6.381 -4.578 40 HD2 ARG 11 HD2 ARG 11 -12.877 -7.749 -3.190 41 HD3 ARG 11 HD1 ARG 11 -12.183 -6.515 -2.139 42 HE ARG 11 HE ARG 11 -14.726 -5.676 -3.001 43 HH11 ARG 11 HH11 ARG 11 -13.158 -7.954 -0.872 44 HH12 ARG 11 HH12 ARG 11 -14.552 -8.174 0.142 45 HH21 ARG 11 HH21 ARG 11 -16.585 -5.950 -1.647 46 HH22 ARG 11 HH22 ARG 11 -16.495 -7.039 -0.303 47 H LYS 12 HN LYS 12 -11.501 -5.680 -6.335 48 HA LYS 12 HA LYS 12 -8.777 -6.063 -6.272 49 HB2 LYS 12 HB2 LYS 12 -10.560 -7.642 -7.129 50 HB3 LYS 12 HB1 LYS 12 -10.548 -6.719 -8.628 51 HG2 LYS 12 HG2 LYS 12 -9.153 -8.485 -9.080 52 HG3 LYS 12 HG1 LYS 12 -8.019 -7.220 -8.612 53 HD2 LYS 12 HD2 LYS 12 -8.052 -8.145 -6.300 54 HD3 LYS 12 HD1 LYS 12 -9.031 -9.486 -6.900 55 HE2 LYS 12 HE2 LYS 12 -7.245 -10.041 -8.491 56 HE3 LYS 12 HE1 LYS 12 -6.285 -8.729 -7.820 57 HZ1 LYS 12 HZ1 LYS 12 -5.596 -10.802 -6.856 58 HZ2 LYS 12 HZ2 LYS 12 -7.177 -11.167 -6.388 59 HZ3 LYS 12 HZ3 LYS 12 -6.361 -9.880 -5.661 60 H SER 13 HN SER 13 -10.734 -4.151 -8.523 61 HA SER 13 HA SER 13 -8.420 -3.668 -10.222 62 HB2 SER 13 HB2 SER 13 -11.323 -2.806 -10.373 63 HB3 SER 13 HB1 SER 13 -10.108 -2.425 -11.603 64 HG SER 13 HG SER 13 -9.770 -4.773 -11.708 65 H ARG 14 HN ARG 14 -10.609 -1.784 -8.167 66 HA ARG 14 HA ARG 14 -9.521 0.744 -8.699 67 HB2 ARG 14 HB2 ARG 14 -10.672 1.485 -6.673 68 HB3 ARG 14 HB1 ARG 14 -11.713 0.419 -7.609 69 HG2 ARG 14 HG2 ARG 14 -11.427 -1.352 -6.121 70 HG3 ARG 14 HG1 ARG 14 -10.022 -0.598 -5.374 71 HD2 ARG 14 HD2 ARG 14 -11.899 -0.440 -3.884 72 HD3 ARG 14 HD1 ARG 14 -11.486 1.158 -4.482 73 HE ARG 14 HE ARG 14 -13.818 -0.400 -5.360 74 HH11 ARG 14 HH11 ARG 14 -12.150 2.652 -4.930 75 HH12 ARG 14 HH12 ARG 14 -13.474 3.603 -5.515 76 HH21 ARG 14 HH21 ARG 14 -15.583 0.874 -6.103 77 HH22 ARG 14 HH22 ARG 14 -15.422 2.599 -6.174 78 H ILE 15 HN ILE 15 -8.643 -1.744 -6.364 79 HA ILE 15 HA ILE 15 -6.723 -0.070 -5.038 80 HB ILE 15 HB ILE 15 -6.958 -3.083 -5.056 81 HG12 ILE 15 HG12 ILE 15 -7.921 -1.123 -2.946 82 HG13 ILE 15 HG11 ILE 15 -8.972 -1.809 -4.182 83 HG21 ILE 15 HG21 ILE 15 -5.531 -1.219 -3.149 84 HG22 ILE 15 HG22 ILE 15 -4.751 -2.214 -4.379 85 HG23 ILE 15 HG23 ILE 15 -5.596 -2.980 -3.030 86 HD11 ILE 15 HD11 ILE 15 -9.124 -2.953 -2.015 87 HD12 ILE 15 HD12 ILE 15 -7.425 -3.413 -2.170 88 HD13 ILE 15 HD13 ILE 15 -8.618 -4.022 -3.337 89 H GLN 16 HN GLN 16 -6.699 -2.682 -7.393 90 HA GLN 16 HA GLN 16 -4.035 -3.180 -7.645 91 HB2 GLN 16 HB2 GLN 16 -6.435 -3.689 -9.069 92 HB3 GLN 16 HB1 GLN 16 -5.150 -3.362 -10.215 93 HG2 GLN 16 HG2 GLN 16 -3.764 -5.058 -9.076 94 HG3 GLN 16 HG1 GLN 16 -5.129 -5.390 -8.007 95 HE21 GLN 16 HE21 GLN 16 -5.479 -4.661 -11.403 96 HE22 GLN 16 HE22 GLN 16 -5.993 -6.238 -11.885 97 H SER 17 HN SER 17 -5.872 -0.722 -9.491 98 HA SER 17 HA SER 17 -3.785 0.090 -11.144 99 HB2 SER 17 HB2 SER 17 -5.970 1.840 -9.993 100 HB3 SER 17 HB1 SER 17 -5.040 2.156 -11.458 101 HG SER 17 HG SER 17 -5.965 0.294 -12.379 102 H GLU 18 HN GLU 18 -4.612 1.047 -7.893 103 HA GLU 18 HA GLU 18 -2.486 3.008 -7.743 104 HB2 GLU 18 HB2 GLU 18 -4.361 1.990 -5.619 105 HB3 GLU 18 HB1 GLU 18 -3.353 3.431 -5.543 106 HG2 GLU 18 HG2 GLU 18 -5.377 3.029 -7.684 107 HG3 GLU 18 HG1 GLU 18 -5.791 3.758 -6.129 108 H HIS 19 HN HIS 19 -3.205 -0.216 -6.541 109 HA HIS 19 HA HIS 19 -1.217 -0.604 -4.677 110 HB2 HIS 19 HB2 HIS 19 -2.735 -2.363 -4.872 111 HB3 HIS 19 HB1 HIS 19 -2.607 -2.443 -6.618 112 HD1 HIS 19 HD1 HIS 19 -0.285 -3.115 -3.652 113 HD2 HIS 19 HD2 HIS 19 -1.271 -4.601 -7.397 114 HE1 HIS 19 HE1 HIS 19 1.099 -5.190 -3.934 115 HE2 HIS 19 HE2 HIS 19 0.312 -6.189 -6.109 116 H ARG 20 HN ARG 20 -0.959 -1.170 -8.193 117 HA ARG 20 HA ARG 20 1.752 -1.770 -8.298 118 HB2 ARG 20 HB2 ARG 20 0.037 -0.227 -10.252 119 HB3 ARG 20 HB1 ARG 20 1.652 -0.814 -10.618 120 HG2 ARG 20 HG2 ARG 20 -0.293 -2.793 -9.608 121 HG3 ARG 20 HG1 ARG 20 -0.563 -2.158 -11.235 122 HD2 ARG 20 HD2 ARG 20 0.764 -4.171 -11.358 123 HD3 ARG 20 HD1 ARG 20 1.752 -2.790 -11.822 124 HE ARG 20 HE ARG 20 1.907 -4.136 -9.198 125 HH11 ARG 20 HH11 ARG 20 3.411 -2.401 -11.844 126 HH12 ARG 20 HH12 ARG 20 5.010 -2.536 -11.190 127 HH21 ARG 20 HH21 ARG 20 4.024 -4.331 -8.351 128 HH22 ARG 20 HH22 ARG 20 5.363 -3.640 -9.214 129 H GLU 21 HN GLU 21 0.160 1.407 -8.334 130 HA GLU 21 HA GLU 21 2.396 3.051 -8.582 131 HB2 GLU 21 HB2 GLU 21 -0.034 3.635 -6.881 132 HB3 GLU 21 HB1 GLU 21 1.032 4.803 -7.639 133 HG2 GLU 21 HG2 GLU 21 -0.749 2.901 -9.110 134 HG3 GLU 21 HG1 GLU 21 -1.162 4.583 -8.756 135 H LEU 22 HN LEU 22 0.832 1.815 -5.622 136 HA LEU 22 HA LEU 22 2.518 3.225 -3.860 137 HB2 LEU 22 HB2 LEU 22 0.709 0.873 -3.458 138 HB3 LEU 22 HB1 LEU 22 1.751 1.438 -2.169 139 HG LEU 22 HG LEU 22 -0.277 2.473 -1.702 140 HD11 LEU 22 HD11 LEU 22 0.060 4.850 -2.152 141 HD12 LEU 22 HD12 LEU 22 1.229 4.466 -3.408 142 HD13 LEU 22 HD13 LEU 22 1.583 4.073 -1.727 143 HD21 LEU 22 HD21 LEU 22 -1.355 1.864 -3.830 144 HD22 LEU 22 HD22 LEU 22 -0.553 3.238 -4.599 145 HD23 LEU 22 HD23 LEU 22 -1.719 3.507 -3.304 146 H VAL 23 HN VAL 23 2.877 0.045 -5.347 147 HA VAL 23 HA VAL 23 5.151 -0.508 -3.685 148 HB VAL 23 HB VAL 23 4.812 -2.582 -4.264 149 HG11 VAL 23 HG11 VAL 23 2.472 -1.847 -4.755 150 HG12 VAL 23 HG12 VAL 23 2.988 -3.315 -5.587 151 HG13 VAL 23 HG13 VAL 23 2.929 -1.786 -6.459 152 HG21 VAL 23 HG21 VAL 23 5.323 -1.749 -7.090 153 HG22 VAL 23 HG22 VAL 23 5.325 -3.409 -6.489 154 HG23 VAL 23 HG23 VAL 23 6.535 -2.257 -5.903 155 H SER 24 HN SER 24 4.558 0.725 -6.926 156 HA SER 24 HA SER 24 7.209 1.016 -7.777 157 HB2 SER 24 HB2 SER 24 5.138 1.545 -9.127 158 HB3 SER 24 HB1 SER 24 4.970 3.022 -8.177 159 HG SER 24 HG SER 24 7.029 2.310 -9.987 160 H ALA 25 HN ALA 25 5.290 2.666 -5.429 161 HA ALA 25 HA ALA 25 7.176 4.837 -5.006 162 HB1 ALA 25 HB1 ALA 25 4.933 4.042 -3.174 163 HB2 ALA 25 HB2 ALA 25 4.641 4.948 -4.665 164 HB3 ALA 25 HB3 ALA 25 5.663 5.638 -3.388 165 H ILE 26 HN ILE 26 6.329 1.746 -3.456 166 HA ILE 26 HA ILE 26 7.913 1.982 -1.194 167 HB ILE 26 HB ILE 26 6.828 -0.293 -2.749 168 HG12 ILE 26 HG12 ILE 26 6.943 0.527 0.136 169 HG13 ILE 26 HG11 ILE 26 5.541 0.483 -0.928 170 HG21 ILE 26 HG21 ILE 26 9.156 -1.004 -2.551 171 HG22 ILE 26 HG22 ILE 26 8.094 -1.985 -1.540 172 HG23 ILE 26 HG23 ILE 26 9.088 -0.724 -0.811 173 HD11 ILE 26 HD11 ILE 26 5.615 -1.338 0.741 174 HD12 ILE 26 HD12 ILE 26 7.073 -1.945 -0.051 175 HD13 ILE 26 HD13 ILE 26 5.544 -1.903 -0.937 176 H GLN 27 HN GLN 27 8.719 0.748 -4.398 177 HA GLN 27 HA GLN 27 11.390 0.095 -3.863 178 HB2 GLN 27 HB2 GLN 27 10.082 0.865 -6.481 179 HB3 GLN 27 HB1 GLN 27 11.617 0.015 -6.313 180 HG2 GLN 27 HG2 GLN 27 10.425 -1.832 -5.206 181 HG3 GLN 27 HG1 GLN 27 8.915 -0.969 -5.442 182 HE21 GLN 27 HE21 GLN 27 11.470 -2.740 -6.983 183 HE22 GLN 27 HE22 GLN 27 10.662 -2.985 -8.493 184 H SER 28 HN SER 28 9.810 3.057 -4.661 185 HA SER 28 HA SER 28 12.167 4.574 -5.223 186 HB2 SER 28 HB2 SER 28 9.307 5.333 -4.606 187 HB3 SER 28 HB1 SER 28 10.535 6.478 -5.107 188 HG SER 28 HG SER 28 9.230 4.497 -6.574 189 H TYR 29 HN TYR 29 9.828 4.575 -2.529 190 HA TYR 29 HA TYR 29 11.085 6.210 -0.707 191 HB2 TYR 29 HB2 TYR 29 8.821 5.206 -0.500 192 HB3 TYR 29 HB1 TYR 29 9.557 3.648 -0.161 193 HD1 TYR 29 HD1 TYR 29 7.578 4.536 1.620 194 HD2 TYR 29 HD2 TYR 29 11.700 5.602 1.616 195 HE1 TYR 29 HE1 TYR 29 7.451 4.990 4.033 196 HE2 TYR 29 HE2 TYR 29 11.573 6.068 4.018 197 HH TYR 29 HH TYR 29 9.912 6.662 5.697 198 H ILE 30 HN ILE 30 11.390 2.691 -0.983 199 HA ILE 30 HA ILE 30 13.174 2.379 1.146 200 HB ILE 30 HB ILE 30 12.605 0.646 -1.243 201 HG12 ILE 30 HG12 ILE 30 11.613 0.692 1.610 202 HG13 ILE 30 HG11 ILE 30 10.695 1.078 0.165 203 HG21 ILE 30 HG21 ILE 30 14.157 -0.001 1.254 204 HG22 ILE 30 HG22 ILE 30 14.778 0.051 -0.394 205 HG23 ILE 30 HG23 ILE 30 13.607 -1.186 0.070 206 HD11 ILE 30 HD11 ILE 30 10.946 -1.251 -0.567 207 HD12 ILE 30 HD12 ILE 30 10.063 -1.070 0.951 208 HD13 ILE 30 HD13 ILE 30 11.743 -1.613 0.965 209 H GLY 31 HN GLY 31 13.751 2.875 -2.304 210 HA2 GLY 31 HA2 GLY 31 16.565 2.406 -2.153 211 HA3 GLY 31 HA1 GLY 31 15.716 3.212 -3.468 212 H ALA 32 HN ALA 32 14.588 4.950 -1.151 213 HA ALA 32 HA ALA 32 16.703 6.962 -1.283 214 HB1 ALA 32 HB1 ALA 32 13.926 7.258 -0.176 215 HB2 ALA 32 HB2 ALA 32 14.313 7.473 -1.885 216 HB3 ALA 32 HB3 ALA 32 15.032 8.539 -0.674 217 H GLN 33 HN GLN 33 15.156 4.786 0.906 218 HA GLN 33 HA GLN 33 15.389 6.080 3.305 219 HB2 GLN 33 HB2 GLN 33 15.366 3.217 2.516 220 HB3 GLN 33 HB1 GLN 33 15.635 3.674 4.194 221 HG2 GLN 33 HG2 GLN 33 13.389 4.956 2.818 222 HG3 GLN 33 HG1 GLN 33 13.235 3.251 3.170 223 HE21 GLN 33 HE21 GLN 33 11.693 3.468 4.791 224 HE22 GLN 33 HE22 GLN 33 12.006 4.254 6.298 225 H ASP 34 HN ASP 34 16.784 5.707 5.079 226 HA ASP 34 HA ASP 34 19.548 5.920 4.518 227 HB2 ASP 34 HB2 ASP 34 18.148 6.725 6.572 228 HB3 ASP 34 HB1 ASP 34 18.486 5.115 7.195 229 H ASP 35 HN ASP 35 17.399 3.389 5.378 230 HA ASP 35 HA ASP 35 19.489 1.427 4.738 231 HB2 ASP 35 HB2 ASP 35 17.389 0.687 6.753 232 HB3 ASP 35 HB1 ASP 35 18.958 -0.036 6.467 233 HA PRO 36 HA PRO 36 15.949 0.583 1.984 234 HB2 PRO 36 HB2 PRO 36 17.427 -0.375 -0.014 235 HB3 PRO 36 HB1 PRO 36 17.435 1.349 0.325 236 HG2 PRO 36 HG2 PRO 36 19.341 -0.729 1.345 237 HG3 PRO 36 HG1 PRO 36 19.738 0.707 0.392 238 HD2 PRO 36 HD2 PRO 36 19.933 0.839 3.004 239 HD3 PRO 36 HD1 PRO 36 19.136 2.157 2.118 240 H THR 37 HN THR 37 17.886 -1.074 3.909 241 HA THR 37 HA THR 37 17.659 -3.700 2.778 242 HB THR 37 HB THR 37 19.182 -4.356 4.507 243 HG1 THR 37 HG1 THR 37 19.703 -2.674 6.159 244 HG21 THR 37 HG21 THR 37 20.988 -2.721 4.250 245 HG22 THR 37 HG22 THR 37 19.823 -1.517 3.685 246 HG23 THR 37 HG23 THR 37 20.149 -2.958 2.715 247 H ASN 38 HN ASN 38 16.282 -1.804 5.301 248 HA ASN 38 HA ASN 38 14.048 -3.569 5.554 249 HB2 ASN 38 HB2 ASN 38 15.860 -4.577 6.975 250 HB3 ASN 38 HB1 ASN 38 15.765 -3.143 7.991 251 HD21 ASN 38 HD21 ASN 38 15.098 -4.329 9.791 252 HD22 ASN 38 HD22 ASN 38 13.504 -4.991 9.919 253 HA PRO 39 HA PRO 39 13.620 1.110 6.359 254 HB2 PRO 39 HB2 PRO 39 11.381 1.121 4.652 255 HB3 PRO 39 HB1 PRO 39 12.974 1.802 4.328 256 HG2 PRO 39 HG2 PRO 39 11.801 -0.745 3.422 257 HG3 PRO 39 HG1 PRO 39 13.069 0.232 2.694 258 HD2 PRO 39 HD2 PRO 39 13.528 -2.109 3.939 259 HD3 PRO 39 HD1 PRO 39 14.722 -0.811 3.852 260 H SER 40 HN SER 40 11.775 2.193 7.249 261 HA SER 40 HA SER 40 10.352 0.667 9.163 262 HB2 SER 40 HB2 SER 40 9.697 3.468 8.237 263 HB3 SER 40 HB1 SER 40 9.353 2.751 9.810 264 HG SER 40 HG SER 40 11.852 2.480 9.719 265 H GLU 41 HN GLU 41 7.864 0.998 9.372 266 HA GLU 41 HA GLU 41 6.632 -0.322 7.237 267 HB2 GLU 41 HB2 GLU 41 5.542 -0.710 9.194 268 HB3 GLU 41 HB1 GLU 41 5.692 0.953 9.745 269 HG2 GLU 41 HG2 GLU 41 4.023 1.621 8.117 270 HG3 GLU 41 HG1 GLU 41 3.815 -0.058 7.627 271 H ILE 42 HN ILE 42 5.901 0.319 5.459 272 HA ILE 42 HA ILE 42 6.132 3.118 4.805 273 HB ILE 42 HB ILE 42 5.951 0.584 3.221 274 HG12 ILE 42 HG12 ILE 42 8.044 2.665 3.784 275 HG13 ILE 42 HG11 ILE 42 8.105 0.935 4.079 276 HG21 ILE 42 HG21 ILE 42 4.645 2.238 2.044 277 HG22 ILE 42 HG22 ILE 42 6.158 1.913 1.197 278 HG23 ILE 42 HG23 ILE 42 5.978 3.388 2.147 279 HD11 ILE 42 HD11 ILE 42 8.219 0.534 1.689 280 HD12 ILE 42 HD12 ILE 42 9.539 1.561 2.252 281 HD13 ILE 42 HD13 ILE 42 8.163 2.275 1.406 282 H THR 43 HN THR 43 4.453 4.412 4.401 283 HA THR 43 HA THR 43 1.822 3.169 4.013 284 HB THR 43 HB THR 43 0.765 4.919 5.356 285 HG1 THR 43 HG1 THR 43 2.073 6.328 6.585 286 HG21 THR 43 HG21 THR 43 2.958 3.454 6.833 287 HG22 THR 43 HG22 THR 43 1.353 2.822 6.460 288 HG23 THR 43 HG23 THR 43 1.532 4.176 7.576 289 H LEU 44 HN LEU 44 0.223 4.796 3.261 290 HA LEU 44 HA LEU 44 1.095 5.782 0.782 291 HB2 LEU 44 HB2 LEU 44 -1.406 6.474 2.253 292 HB3 LEU 44 HB1 LEU 44 -1.151 6.520 0.532 293 HG LEU 44 HG LEU 44 -1.419 4.141 2.299 294 HD11 LEU 44 HD11 LEU 44 -3.355 3.728 1.236 295 HD12 LEU 44 HD12 LEU 44 -2.808 4.435 -0.275 296 HD13 LEU 44 HD13 LEU 44 -3.315 5.480 1.049 297 HD21 LEU 44 HD21 LEU 44 -0.533 4.123 -0.565 298 HD22 LEU 44 HD22 LEU 44 -0.741 2.727 0.484 299 HD23 LEU 44 HD23 LEU 44 0.541 3.885 0.807 300 H ALA 45 HN ALA 45 0.404 7.236 3.844 301 HA ALA 45 HA ALA 45 0.637 9.935 3.085 302 HB1 ALA 45 HB1 ALA 45 0.834 10.338 5.505 303 HB2 ALA 45 HB2 ALA 45 1.032 8.599 5.764 304 HB3 ALA 45 HB3 ALA 45 -0.496 9.235 5.116 305 H LYS 46 HN LYS 46 2.954 7.460 3.830 306 HA LYS 46 HA LYS 46 5.214 9.262 3.954 307 HB2 LYS 46 HB2 LYS 46 4.945 6.284 3.938 308 HB3 LYS 46 HB1 LYS 46 6.476 7.104 4.035 309 HG2 LYS 46 HG2 LYS 46 5.892 8.054 6.158 310 HG3 LYS 46 HG1 LYS 46 4.259 7.390 6.035 311 HD2 LYS 46 HD2 LYS 46 5.395 5.112 5.834 312 HD3 LYS 46 HD1 LYS 46 6.858 5.924 6.400 313 HE2 LYS 46 HE2 LYS 46 4.223 5.965 7.848 314 HE3 LYS 46 HE1 LYS 46 5.513 4.802 8.172 315 HZ1 LYS 46 HZ1 LYS 46 5.682 6.562 9.739 316 HZ2 LYS 46 HZ2 LYS 46 5.620 7.743 8.532 317 HZ3 LYS 46 HZ3 LYS 46 6.971 6.734 8.658 318 H LEU 47 HN LEU 47 3.599 7.194 1.666 319 HA LEU 47 HA LEU 47 5.765 7.214 -0.199 320 HB2 LEU 47 HB2 LEU 47 2.961 6.138 -0.267 321 HB3 LEU 47 HB1 LEU 47 4.032 6.045 -1.653 322 HG LEU 47 HG LEU 47 4.529 4.803 1.046 323 HD11 LEU 47 HD11 LEU 47 2.773 3.648 -0.107 324 HD12 LEU 47 HD12 LEU 47 4.245 2.679 -0.187 325 HD13 LEU 47 HD13 LEU 47 3.720 3.604 -1.594 326 HD21 LEU 47 HD21 LEU 47 6.420 3.702 -0.085 327 HD22 LEU 47 HD22 LEU 47 6.604 5.452 0.007 328 HD23 LEU 47 HD23 LEU 47 6.120 4.696 -1.510 329 H ALA 48 HN ALA 48 3.415 9.343 0.599 330 HA ALA 48 HA ALA 48 2.360 10.631 -1.471 331 HB1 ALA 48 HB1 ALA 48 2.853 12.741 -0.270 332 HB2 ALA 48 HB2 ALA 48 3.998 11.840 0.737 333 HB3 ALA 48 HB3 ALA 48 2.272 11.455 0.795 334 HA PRO 49 HA PRO 49 6.351 12.965 -2.716 335 HB2 PRO 49 HB2 PRO 49 8.689 12.402 -1.631 336 HB3 PRO 49 HB1 PRO 49 7.487 13.349 -0.750 337 HG2 PRO 49 HG2 PRO 49 8.021 10.420 -0.606 338 HG3 PRO 49 HG1 PRO 49 7.938 11.588 0.721 339 HD2 PRO 49 HD2 PRO 49 5.849 10.077 0.084 340 HD3 PRO 49 HD1 PRO 49 5.698 11.731 0.600 341 H TYR 50 HN TYR 50 6.157 9.605 -2.607 342 HA TYR 50 HA TYR 50 8.206 9.275 -4.686 343 HB2 TYR 50 HB2 TYR 50 6.926 7.161 -2.953 344 HB3 TYR 50 HB1 TYR 50 8.275 6.939 -4.060 345 HD1 TYR 50 HD1 TYR 50 10.436 8.078 -3.577 346 HD2 TYR 50 HD2 TYR 50 7.292 7.921 -0.737 347 HE1 TYR 50 HE1 TYR 50 12.050 8.572 -1.794 348 HE2 TYR 50 HE2 TYR 50 8.887 8.426 1.068 349 HH TYR 50 HH TYR 50 12.116 9.448 0.436 350 H MET 51 HN MET 51 4.916 9.581 -4.309 351 HA MET 51 HA MET 51 4.292 7.901 -6.616 352 HB2 MET 51 HB2 MET 51 2.313 9.726 -5.294 353 HB3 MET 51 HB1 MET 51 2.025 8.253 -6.189 354 HG2 MET 51 HG2 MET 51 3.410 8.317 -3.545 355 HG3 MET 51 HG1 MET 51 1.667 8.139 -3.729 356 HE1 MET 51 HE1 MET 51 1.608 6.349 -6.402 357 HE2 MET 51 HE2 MET 51 0.562 6.066 -5.011 358 HE3 MET 51 HE3 MET 51 1.515 4.742 -5.683 359 H SER 52 HN SER 52 2.863 9.008 -8.295 360 HA SER 52 HA SER 52 3.348 11.811 -8.721 361 HB2 SER 52 HB2 SER 52 5.514 10.790 -9.388 362 HB3 SER 52 HB1 SER 52 4.661 9.836 -10.600 363 HG SER 52 HG SER 52 5.314 12.533 -10.582 364 H LYS 53 HN LYS 53 1.870 8.815 -9.611 365 HA LYS 53 HA LYS 53 0.810 9.372 -12.078 366 HB2 LYS 53 HB2 LYS 53 -0.612 7.565 -11.774 367 HB3 LYS 53 HB1 LYS 53 0.765 7.186 -10.775 368 HG2 LYS 53 HG2 LYS 53 -1.812 8.363 -9.750 369 HG3 LYS 53 HG1 LYS 53 -1.444 6.641 -9.764 370 HD2 LYS 53 HD2 LYS 53 0.476 7.046 -8.299 371 HD3 LYS 53 HD1 LYS 53 0.104 8.775 -8.286 372 HE2 LYS 53 HE2 LYS 53 -0.747 7.798 -6.277 373 HE3 LYS 53 HE1 LYS 53 -2.110 8.218 -7.319 374 HZ1 LYS 53 HZ1 LYS 53 -2.333 5.943 -7.991 375 HZ2 LYS 53 HZ2 LYS 53 -2.365 6.034 -6.305 376 HZ3 LYS 53 HZ3 LYS 53 -0.968 5.498 -7.092 377 H ASN 54 HN ASN 54 -0.189 10.480 -9.069 378 HA ASN 54 HA ASN 54 -2.038 12.411 -9.992 379 HB2 ASN 54 HB2 ASN 54 -3.120 9.992 -10.179 380 HB3 ASN 54 HB1 ASN 54 -3.448 10.271 -8.476 381 HD21 ASN 54 HD21 ASN 54 -4.918 11.862 -7.888 382 HD22 ASN 54 HD22 ASN 54 -5.988 12.607 -9.030 383 H ALA 55 HN ALA 55 0.151 11.860 -8.147 384 HA ALA 55 HA ALA 55 -1.113 12.581 -5.596 385 HB1 ALA 55 HB1 ALA 55 -0.604 10.326 -5.341 386 HB2 ALA 55 HB2 ALA 55 0.737 11.167 -4.557 387 HB3 ALA 55 HB3 ALA 55 0.937 10.487 -6.175 388 H LYS 56 HN LYS 56 0.216 13.757 -4.135 389 HA LYS 56 HA LYS 56 2.610 14.994 -5.228 390 HB2 LYS 56 HB2 LYS 56 0.163 16.507 -4.317 391 HB3 LYS 56 HB1 LYS 56 1.742 17.255 -4.513 392 HG2 LYS 56 HG2 LYS 56 0.235 15.855 -6.709 393 HG3 LYS 56 HG1 LYS 56 0.225 17.599 -6.433 394 HD2 LYS 56 HD2 LYS 56 2.548 17.769 -6.892 395 HD3 LYS 56 HD1 LYS 56 2.752 16.020 -6.853 396 HE2 LYS 56 HE2 LYS 56 2.767 16.850 -9.134 397 HE3 LYS 56 HE1 LYS 56 1.378 15.807 -8.846 398 HZ1 LYS 56 HZ1 LYS 56 0.841 17.835 -10.107 399 HZ2 LYS 56 HZ2 LYS 56 1.285 18.774 -8.772 400 HZ3 LYS 56 HZ3 LYS 56 -0.028 17.715 -8.664 401 H ASN 57 HN ASN 57 0.555 15.942 -2.513 402 HA ASN 57 HA ASN 57 2.699 15.156 -0.673 403 HB2 ASN 57 HB2 ASN 57 0.455 17.160 -0.389 404 HB3 ASN 57 HB1 ASN 57 1.429 16.621 0.971 405 HD21 ASN 57 HD21 ASN 57 1.121 19.270 -0.227 406 HD22 ASN 57 HD22 ASN 57 2.716 19.782 -0.652 407 H GLU 58 HN GLU 58 1.397 14.878 1.628 408 HA GLU 58 HA GLU 58 0.380 12.302 1.502 409 HB2 GLU 58 HB2 GLU 58 0.714 12.456 3.693 410 HB3 GLU 58 HB1 GLU 58 1.006 14.176 3.497 411 HG2 GLU 58 HG2 GLU 58 -1.348 14.620 3.769 412 HG3 GLU 58 HG1 GLU 58 -1.650 12.898 3.988 413 H ASP 59 HN ASP 59 -1.305 15.373 1.584 414 HA ASP 59 HA ASP 59 -3.915 14.283 1.751 415 HB2 ASP 59 HB2 ASP 59 -3.551 16.548 2.427 416 HB3 ASP 59 HB1 ASP 59 -2.893 16.964 0.854 417 H GLY 60 HN GLY 60 -1.759 15.012 -0.887 418 HA2 GLY 60 HA2 GLY 60 -3.812 14.811 -2.896 419 HA3 GLY 60 HA1 GLY 60 -2.093 15.001 -3.181 420 H ILE 61 HN ILE 61 -1.500 12.646 -1.443 421 HA ILE 61 HA ILE 61 -1.794 10.705 -3.538 422 HB ILE 61 HB ILE 61 0.367 10.799 -2.576 423 HG12 ILE 61 HG12 ILE 61 0.750 8.577 -1.878 424 HG13 ILE 61 HG11 ILE 61 -0.900 8.389 -1.293 425 HG21 ILE 61 HG21 ILE 61 -0.138 11.859 -0.465 426 HG22 ILE 61 HG22 ILE 61 0.823 10.406 -0.200 427 HG23 ILE 61 HG23 ILE 61 -0.906 10.386 0.119 428 HD11 ILE 61 HD11 ILE 61 -1.762 8.282 -3.475 429 HD12 ILE 61 HD12 ILE 61 -0.309 7.270 -3.500 430 HD13 ILE 61 HD13 ILE 61 -0.265 8.892 -4.186 431 H VAL 62 HN VAL 62 -2.489 10.738 -0.097 432 HA VAL 62 HA VAL 62 -3.608 8.158 -0.070 433 HB VAL 62 HB VAL 62 -3.907 10.417 1.911 434 HG11 VAL 62 HG11 VAL 62 -4.316 7.463 2.314 435 HG12 VAL 62 HG12 VAL 62 -5.613 8.663 2.188 436 HG13 VAL 62 HG13 VAL 62 -4.464 8.730 3.534 437 HG21 VAL 62 HG21 VAL 62 -1.828 9.979 2.514 438 HG22 VAL 62 HG22 VAL 62 -1.699 8.894 1.120 439 HG23 VAL 62 HG23 VAL 62 -2.219 8.264 2.693 440 H ASN 63 HN ASN 63 -5.064 11.357 -0.112 441 HA ASN 63 HA ASN 63 -7.742 10.468 -0.015 442 HB2 ASN 63 HB2 ASN 63 -7.084 12.750 0.553 443 HB3 ASN 63 HB1 ASN 63 -6.608 13.046 -1.112 444 HD21 ASN 63 HD21 ASN 63 -9.296 12.567 1.053 445 HD22 ASN 63 HD22 ASN 63 -10.513 13.182 -0.011 446 H SER 64 HN SER 64 -5.438 10.673 -2.574 447 HA SER 64 HA SER 64 -7.399 10.467 -4.691 448 HB2 SER 64 HB2 SER 64 -5.105 11.587 -4.923 449 HB3 SER 64 HB1 SER 64 -4.428 9.956 -4.961 450 HG SER 64 HG SER 64 -5.398 9.569 -6.862 451 H LEU 65 HN LEU 65 -5.648 8.389 -2.629 452 HA LEU 65 HA LEU 65 -5.802 6.063 -4.339 453 HB2 LEU 65 HB2 LEU 65 -4.839 6.488 -1.522 454 HB3 LEU 65 HB1 LEU 65 -4.850 4.921 -2.310 455 HG LEU 65 HG LEU 65 -3.328 7.309 -3.314 456 HD11 LEU 65 HD11 LEU 65 -2.631 6.375 -1.060 457 HD12 LEU 65 HD12 LEU 65 -1.403 6.396 -2.318 458 HD13 LEU 65 HD13 LEU 65 -2.225 4.893 -1.925 459 HD21 LEU 65 HD21 LEU 65 -2.146 5.568 -4.612 460 HD22 LEU 65 HD22 LEU 65 -3.847 5.739 -5.051 461 HD23 LEU 65 HD23 LEU 65 -3.330 4.397 -4.029 462 H ALA 66 HN ALA 66 -6.772 4.074 -3.658 463 HA ALA 66 HA ALA 66 -9.430 4.114 -3.007 464 HB1 ALA 66 HB1 ALA 66 -8.090 2.152 -3.905 465 HB2 ALA 66 HB2 ALA 66 -9.328 1.761 -2.697 466 HB3 ALA 66 HB3 ALA 66 -7.625 1.837 -2.225 467 H LYS 67 HN LYS 67 -10.644 3.760 -1.200 468 HA LYS 67 HA LYS 67 -9.249 4.393 1.286 469 HB2 LYS 67 HB2 LYS 67 -11.976 5.222 0.352 470 HB3 LYS 67 HB1 LYS 67 -11.420 5.432 2.001 471 HG2 LYS 67 HG2 LYS 67 -10.475 6.795 -0.489 472 HG3 LYS 67 HG1 LYS 67 -11.022 7.505 1.032 473 HD2 LYS 67 HD2 LYS 67 -8.963 6.296 2.043 474 HD3 LYS 67 HD1 LYS 67 -8.403 6.214 0.370 475 HE2 LYS 67 HE2 LYS 67 -7.475 8.155 1.541 476 HE3 LYS 67 HE1 LYS 67 -8.529 8.645 0.209 477 HZ1 LYS 67 HZ1 LYS 67 -8.913 9.952 2.217 478 HZ2 LYS 67 HZ2 LYS 67 -9.317 8.551 3.069 479 HZ3 LYS 67 HZ3 LYS 67 -10.292 9.070 1.792 480 H ASP 68 HN ASP 68 -9.600 3.294 3.042 481 HA ASP 68 HA ASP 68 -11.090 0.808 2.868 482 HB2 ASP 68 HB2 ASP 68 -8.793 0.906 3.897 483 HB3 ASP 68 HB1 ASP 68 -9.449 1.922 5.166 484 H LYS 69 HN LYS 69 -12.885 0.361 4.174 485 HA LYS 69 HA LYS 69 -14.496 2.688 4.551 486 HB2 LYS 69 HB2 LYS 69 -15.502 0.818 3.484 487 HB3 LYS 69 HB1 LYS 69 -15.059 -0.236 4.808 488 HG2 LYS 69 HG2 LYS 69 -17.315 0.080 5.153 489 HG3 LYS 69 HG1 LYS 69 -16.597 1.267 6.236 490 HD2 LYS 69 HD2 LYS 69 -17.488 1.966 3.449 491 HD3 LYS 69 HD1 LYS 69 -18.587 2.016 4.824 492 HE2 LYS 69 HE2 LYS 69 -17.002 3.592 5.935 493 HE3 LYS 69 HE1 LYS 69 -16.067 3.623 4.444 494 HZ1 LYS 69 HZ1 LYS 69 -17.539 5.495 4.511 495 HZ2 LYS 69 HZ2 LYS 69 -18.881 4.498 4.767 496 HZ3 LYS 69 HZ3 LYS 69 -18.055 4.440 3.292 497 H SER 70 HN SER 70 -13.306 0.126 6.713 498 HA SER 70 HA SER 70 -14.575 1.587 8.925 499 HB2 SER 70 HB2 SER 70 -14.365 -0.576 10.176 500 HB3 SER 70 HB1 SER 70 -15.411 -0.647 8.759 501 HG SER 70 HG SER 70 -13.619 -1.539 7.608 502 H GLY 71 HN GLY 71 -11.491 0.393 7.786 503 HA2 GLY 71 HA2 GLY 71 -9.371 0.619 8.653 504 HA3 GLY 71 HA1 GLY 71 -10.027 1.734 9.845 505 H ASN 72 HN ASN 72 -11.580 -1.282 9.598 506 HA ASN 72 HA ASN 72 -11.425 -1.852 12.297 507 HB2 ASN 72 HB2 ASN 72 -13.116 -2.817 10.841 508 HB3 ASN 72 HB1 ASN 72 -11.890 -3.753 9.992 509 HD21 ASN 72 HD21 ASN 72 -13.739 -3.430 12.915 510 HD22 ASN 72 HD22 ASN 72 -13.383 -4.999 13.550 511 H SER 73 HN SER 73 -9.313 -3.017 9.708 512 HA SER 73 HA SER 73 -7.853 -4.640 11.645 513 HB2 SER 73 HB2 SER 73 -8.530 -5.588 9.416 514 HB3 SER 73 HB1 SER 73 -7.412 -4.458 8.657 515 HG SER 73 HG SER 73 -5.719 -5.452 9.791 516 H SER 74 HN SER 74 -7.818 -1.534 10.870 517 HA SER 74 HA SER 74 -6.365 0.183 10.951 518 HB2 SER 74 HB2 SER 74 -4.494 -1.904 12.073 519 HB3 SER 74 HB1 SER 74 -4.178 -0.169 12.072 520 HG SER 74 HG SER 74 -5.945 -1.667 13.615 521 H THR 75 HN THR 75 -5.384 1.185 9.327 522 HA THR 75 HA THR 75 -3.952 -0.497 7.376 523 HB THR 75 HB THR 75 -6.274 0.297 6.718 524 HG1 THR 75 HG1 THR 75 -5.496 1.002 4.601 525 HG21 THR 75 HG21 THR 75 -5.994 2.572 7.706 526 HG22 THR 75 HG22 THR 75 -6.564 2.572 6.038 527 HG23 THR 75 HG23 THR 75 -4.874 2.947 6.390 528 H SER 76 HN SER 76 -3.746 2.156 9.443 529 HA SER 76 HA SER 76 -2.108 3.647 9.904 530 HB2 SER 76 HB2 SER 76 -0.549 2.226 7.738 531 HB3 SER 76 HB1 SER 76 0.116 3.411 8.860 532 HG SER 76 HG SER 76 0.552 1.476 9.776 533 H ALA 77 HN ALA 77 -2.570 3.201 6.411 534 HA ALA 77 HA ALA 77 -2.025 5.928 5.737 535 HB1 ALA 77 HB1 ALA 77 -1.874 4.073 4.117 536 HB2 ALA 77 HB2 ALA 77 -2.945 5.374 3.571 537 HB3 ALA 77 HB3 ALA 77 -3.625 3.873 4.224 538 HA PRO 78 HA PRO 78 -5.635 7.572 7.674 539 HB2 PRO 78 HB2 PRO 78 -5.140 9.691 5.646 540 HB3 PRO 78 HB1 PRO 78 -5.447 9.862 7.374 541 HG2 PRO 78 HG2 PRO 78 -2.995 10.138 6.473 542 HG3 PRO 78 HG1 PRO 78 -3.283 9.152 7.915 543 HD2 PRO 78 HD2 PRO 78 -2.765 8.270 5.118 544 HD3 PRO 78 HD1 PRO 78 -2.132 7.607 6.637 545 H GLY 79 HN GLY 79 -7.356 6.380 7.108 546 HA2 GLY 79 HA2 GLY 79 -9.405 5.997 6.141 547 HA3 GLY 79 HA1 GLY 79 -9.131 7.402 5.128 548 H SER 80 HN SER 80 -6.524 5.385 4.617 549 HA SER 80 HA SER 80 -7.696 4.733 2.003 550 HB2 SER 80 HB2 SER 80 -5.133 5.658 2.958 551 HB3 SER 80 HB1 SER 80 -4.987 4.274 1.886 552 HG SER 80 HG SER 80 -6.565 5.569 0.530 553 H ALA 81 HN ALA 81 -6.931 2.867 0.862 554 HA ALA 81 HA ALA 81 -7.187 0.527 2.576 555 HB1 ALA 81 HB1 ALA 81 -8.802 0.856 0.779 556 HB2 ALA 81 HB2 ALA 81 -7.857 -0.618 0.515 557 HB3 ALA 81 HB3 ALA 81 -7.495 0.846 -0.404 558 H HIS 82 HN HIS 82 -4.585 1.647 2.612 559 HA HIS 82 HA HIS 82 -3.164 -0.648 1.553 560 HB2 HIS 82 HB2 HIS 82 -2.443 2.197 0.939 561 HB3 HIS 82 HB1 HIS 82 -1.303 0.897 0.817 562 HD1 HIS 82 HD1 HIS 82 -1.831 -0.908 -1.086 563 HD2 HIS 82 HD2 HIS 82 -4.106 2.566 -1.187 564 HE1 HIS 82 HE1 HIS 82 -2.847 -0.830 -3.382 565 HE2 HIS 82 HE2 HIS 82 -4.377 1.165 -3.342 566 H GLN 83 HN GLN 83 -1.937 -1.507 3.050 567 HA GLN 83 HA GLN 83 -0.331 0.188 4.795 568 HB2 GLN 83 HB2 GLN 83 -2.204 -0.343 6.251 569 HB3 GLN 83 HB1 GLN 83 -2.119 -2.043 5.797 570 HG2 GLN 83 HG2 GLN 83 0.106 -2.194 6.833 571 HG3 GLN 83 HG1 GLN 83 -0.024 -0.508 7.324 572 HE21 GLN 83 HE21 GLN 83 -1.319 0.042 9.030 573 HE22 GLN 83 HE22 GLN 83 -2.020 -1.130 10.092 574 H ILE 84 HN ILE 84 1.705 -0.509 4.607 575 HA ILE 84 HA ILE 84 2.123 -3.012 3.262 576 HB ILE 84 HB ILE 84 3.689 -0.552 3.773 577 HG12 ILE 84 HG12 ILE 84 3.853 -1.743 1.188 578 HG13 ILE 84 HG11 ILE 84 2.181 -1.761 1.719 579 HG21 ILE 84 HG21 ILE 84 4.919 -3.141 2.826 580 HG22 ILE 84 HG22 ILE 84 5.246 -2.352 4.368 581 HG23 ILE 84 HG23 ILE 84 5.709 -1.564 2.860 582 HD11 ILE 84 HD11 ILE 84 4.001 0.599 1.372 583 HD12 ILE 84 HD12 ILE 84 2.461 0.692 2.226 584 HD13 ILE 84 HD13 ILE 84 2.500 0.242 0.520 585 H ASP 85 HN ASP 85 3.087 -4.760 4.042 586 HA ASP 85 HA ASP 85 3.504 -4.932 6.921 587 HB2 ASP 85 HB2 ASP 85 2.148 -6.656 5.596 588 HB3 ASP 85 HB1 ASP 85 3.663 -7.146 4.861 589 H THR 86 HN THR 86 5.443 -4.156 7.437 590 HA THR 86 HA THR 86 7.698 -4.619 5.701 591 HB THR 86 HB THR 86 8.869 -3.209 7.450 592 HG1 THR 86 HG1 THR 86 7.721 -2.518 9.123 593 HG21 THR 86 HG21 THR 86 7.971 -1.225 6.498 594 HG22 THR 86 HG22 THR 86 6.412 -2.015 6.205 595 HG23 THR 86 HG23 THR 86 7.840 -2.485 5.269 596 H THR 87 HN THR 87 6.274 -6.123 8.335 597 HA THR 87 HA THR 87 8.490 -7.419 9.481 598 HB THR 87 HB THR 87 5.629 -8.343 9.156 599 HG1 THR 87 HG1 THR 87 5.541 -6.609 10.458 600 HG21 THR 87 HG21 THR 87 7.791 -9.367 10.987 601 HG22 THR 87 HG22 THR 87 7.122 -10.216 9.596 602 HG23 THR 87 HG23 THR 87 6.103 -9.881 10.996 603 H ASN 88 HN ASN 88 6.239 -8.405 6.914 604 HA ASN 88 HA ASN 88 8.055 -10.583 6.163 605 HB2 ASN 88 HB2 ASN 88 5.203 -10.015 5.346 606 HB3 ASN 88 HB1 ASN 88 6.142 -11.412 4.830 607 HD21 ASN 88 HD21 ASN 88 4.537 -9.851 7.498 608 HD22 ASN 88 HD22 ASN 88 4.491 -11.243 8.532 609 H HIS 89 HN HIS 89 7.280 -7.459 5.282 610 HA HIS 89 HA HIS 89 8.320 -6.101 3.785 611 HB2 HIS 89 HB2 HIS 89 9.645 -8.673 2.965 612 HB3 HIS 89 HB1 HIS 89 9.922 -7.172 2.097 613 HD1 HIS 89 HD1 HIS 89 12.261 -8.530 3.501 614 HD2 HIS 89 HD2 HIS 89 9.887 -5.607 5.265 615 HE1 HIS 89 HE1 HIS 89 13.672 -7.519 5.323 616 HE2 HIS 89 HE2 HIS 89 12.165 -5.859 6.470 617 H LYS 90 HN LYS 90 5.761 -6.862 3.439 618 HA LYS 90 HA LYS 90 5.480 -7.224 0.532 619 HB2 LYS 90 HB2 LYS 90 4.052 -8.298 2.871 620 HB3 LYS 90 HB1 LYS 90 3.040 -7.886 1.500 621 HG2 LYS 90 HG2 LYS 90 4.311 -9.380 0.084 622 HG3 LYS 90 HG1 LYS 90 5.455 -9.691 1.389 623 HD2 LYS 90 HD2 LYS 90 2.536 -10.440 1.319 624 HD3 LYS 90 HD1 LYS 90 3.916 -11.535 1.226 625 HE2 LYS 90 HE2 LYS 90 4.602 -10.629 3.496 626 HE3 LYS 90 HE1 LYS 90 3.009 -9.881 3.565 627 HZ1 LYS 90 HZ1 LYS 90 3.530 -12.790 3.277 628 HZ2 LYS 90 HZ2 LYS 90 2.004 -12.066 3.325 629 HZ3 LYS 90 HZ3 LYS 90 3.006 -12.012 4.686 630 H LEU 91 HN LEU 91 4.003 -6.009 -0.573 631 HA LEU 91 HA LEU 91 3.052 -3.512 0.620 632 HB2 LEU 91 HB2 LEU 91 4.082 -3.733 -1.746 633 HB3 LEU 91 HB1 LEU 91 2.605 -4.527 -2.169 634 HG LEU 91 HG LEU 91 2.185 -2.448 -2.965 635 HD11 LEU 91 HD11 LEU 91 0.728 -1.167 -1.441 636 HD12 LEU 91 HD12 LEU 91 1.233 -2.228 -0.116 637 HD13 LEU 91 HD13 LEU 91 0.346 -2.888 -1.496 638 HD21 LEU 91 HD21 LEU 91 3.619 -1.246 -0.636 639 HD22 LEU 91 HD22 LEU 91 2.890 -0.362 -1.974 640 HD23 LEU 91 HD23 LEU 91 4.244 -1.451 -2.269 641 H ILE 92 HN ILE 92 1.310 -4.002 1.877 642 HA ILE 92 HA ILE 92 -0.764 -5.729 0.812 643 HB ILE 92 HB ILE 92 -0.042 -4.719 3.518 644 HG12 ILE 92 HG12 ILE 92 -0.533 -7.222 3.983 645 HG13 ILE 92 HG11 ILE 92 -0.542 -7.381 2.229 646 HG21 ILE 92 HG21 ILE 92 -2.756 -5.855 2.818 647 HG22 ILE 92 HG22 ILE 92 -2.424 -4.214 3.369 648 HG23 ILE 92 HG23 ILE 92 -2.156 -5.581 4.452 649 HD11 ILE 92 HD11 ILE 92 1.607 -7.944 3.234 650 HD12 ILE 92 HD12 ILE 92 1.735 -6.288 3.825 651 HD13 ILE 92 HD13 ILE 92 1.704 -6.603 2.094 652 H SER 93 HN SER 93 -2.676 -5.009 0.231 653 HA SER 93 HA SER 93 -3.343 -2.221 0.811 654 HB2 SER 93 HB2 SER 93 -4.649 -3.910 -1.305 655 HB3 SER 93 HB1 SER 93 -4.599 -2.154 -1.180 656 HG SER 93 HG SER 93 -2.411 -3.883 -1.756 657 H THR 94 HN THR 94 -4.726 -2.120 2.518 658 HA THR 94 HA THR 94 -6.356 -4.480 3.074 659 HB THR 94 HB THR 94 -5.778 -2.061 4.785 660 HG1 THR 94 HG1 THR 94 -4.376 -4.267 4.331 661 HG21 THR 94 HG21 THR 94 -7.236 -4.600 5.533 662 HG22 THR 94 HG22 THR 94 -8.034 -3.072 5.169 663 HG23 THR 94 HG23 THR 94 -6.959 -3.198 6.567 664 H PHE 95 HN PHE 95 -8.197 -4.508 2.233 665 HA PHE 95 HA PHE 95 -9.755 -2.044 1.909 666 HB2 PHE 95 HB2 PHE 95 -9.166 -3.460 -0.102 667 HB3 PHE 95 HB1 PHE 95 -10.123 -4.737 0.648 668 HD1 PHE 95 HD1 PHE 95 -12.496 -4.743 0.516 669 HD2 PHE 95 HD2 PHE 95 -10.278 -1.358 -0.822 670 HE1 PHE 95 HE1 PHE 95 -14.527 -3.812 -0.511 671 HE2 PHE 95 HE2 PHE 95 -12.309 -0.427 -1.845 672 HZ PHE 95 HZ PHE 95 -14.435 -1.653 -1.690 673 H THR 96 HN THR 96 -10.954 -2.008 3.919 674 HA THR 96 HA THR 96 -12.142 -4.468 4.744 675 HB THR 96 HB THR 96 -13.415 -3.135 6.397 676 HG1 THR 96 HG1 THR 96 -11.857 -0.882 5.818 677 HG21 THR 96 HG21 THR 96 -11.572 -2.724 7.800 678 HG22 THR 96 HG22 THR 96 -10.503 -2.413 6.426 679 HG23 THR 96 HG23 THR 96 -11.109 -4.057 6.734 680 HA PRO 97 HA PRO 97 -15.355 -4.233 1.674 681 HB2 PRO 97 HB2 PRO 97 -16.754 -6.276 3.020 682 HB3 PRO 97 HB1 PRO 97 -15.703 -6.459 1.619 683 HG2 PRO 97 HG2 PRO 97 -15.186 -7.040 4.450 684 HG3 PRO 97 HG1 PRO 97 -14.395 -7.677 2.999 685 HD2 PRO 97 HD2 PRO 97 -13.251 -5.877 4.699 686 HD3 PRO 97 HD1 PRO 97 -12.822 -6.037 2.990 687 H SER 98 HN SER 98 -17.711 -3.999 1.732 688 HA SER 98 HA SER 98 -18.586 -2.000 3.436 689 HB2 SER 98 HB2 SER 98 -20.896 -2.694 2.583 690 HB3 SER 98 HB1 SER 98 -19.693 -2.284 1.361 691 HG SER 98 HG SER 98 -20.986 -4.326 1.126 692 H ASN 99 HN ASN 99 -18.361 -5.347 4.031 693 HA ASN 99 HA ASN 99 -20.377 -5.440 6.101 694 HB2 ASN 99 HB2 ASN 99 -18.425 -7.366 4.929 695 HB3 ASN 99 HB1 ASN 99 -19.171 -7.721 6.475 696 HD21 ASN 99 HD21 ASN 99 -20.293 -9.482 5.693 697 HD22 ASN 99 HD22 ASN 99 -21.633 -9.332 4.611 698 H GLY 100 HN GLY 100 -17.052 -4.670 5.876 699 HA2 GLY 100 HA2 GLY 100 -15.609 -3.927 7.536 700 HA3 GLY 100 HA1 GLY 100 -16.827 -4.336 8.736 701 H GLY 101 HN GLY 101 -16.287 -6.781 6.538 702 HA2 GLY 101 HA2 GLY 101 -15.113 -8.469 8.573 703 HA3 GLY 101 HA1 GLY 101 -15.723 -8.983 7.008 704 H GLN 102 HN GLN 102 -13.747 -10.291 7.040 705 HA GLN 102 HA GLN 102 -11.159 -9.365 7.100 706 HB2 GLN 102 HB2 GLN 102 -12.376 -11.607 5.498 707 HB3 GLN 102 HB1 GLN 102 -10.648 -11.291 5.510 708 HG2 GLN 102 HG2 GLN 102 -11.024 -13.000 7.085 709 HG3 GLN 102 HG1 GLN 102 -10.728 -11.529 8.010 710 HE21 GLN 102 HE21 GLN 102 -13.073 -13.888 7.049 711 HE22 GLN 102 HE22 GLN 102 -14.292 -13.451 8.194 712 H ALA 103 HN ALA 103 -9.766 -8.444 5.721 713 HA ALA 103 HA ALA 103 -11.039 -6.770 3.709 714 HB1 ALA 103 HB1 ALA 103 -8.955 -5.507 3.786 715 HB2 ALA 103 HB2 ALA 103 -8.279 -6.698 4.907 716 HB3 ALA 103 HB3 ALA 103 -9.673 -5.722 5.385 717 H THR 104 HN THR 104 -10.254 -6.347 1.784 718 HA THR 104 HA THR 104 -9.249 -8.618 0.299 719 HB THR 104 HB THR 104 -10.773 -6.141 -0.197 720 HG1 THR 104 HG1 THR 104 -11.189 -8.722 -0.270 721 HG21 THR 104 HG21 THR 104 -10.409 -6.179 -2.623 722 HG22 THR 104 HG22 THR 104 -9.146 -7.398 -2.412 723 HG23 THR 104 HG23 THR 104 -8.932 -5.777 -1.746 724 H VAL 105 HN VAL 105 -7.181 -8.728 -0.447 725 HA VAL 105 HA VAL 105 -5.559 -6.320 -0.004 726 HB VAL 105 HB VAL 105 -4.778 -9.140 0.748 727 HG11 VAL 105 HG11 VAL 105 -2.733 -8.123 1.628 728 HG12 VAL 105 HG12 VAL 105 -3.251 -6.556 1.008 729 HG13 VAL 105 HG13 VAL 105 -2.884 -7.866 -0.111 730 HG21 VAL 105 HG21 VAL 105 -5.328 -6.714 2.454 731 HG22 VAL 105 HG22 VAL 105 -4.724 -8.264 3.039 732 HG23 VAL 105 HG23 VAL 105 -6.345 -8.153 2.333 733 H LEU 106 HN LEU 106 -4.776 -5.675 -1.806 734 HA LEU 106 HA LEU 106 -3.693 -7.484 -3.800 735 HB2 LEU 106 HB2 LEU 106 -4.076 -4.521 -3.585 736 HB3 LEU 106 HB1 LEU 106 -2.896 -5.146 -4.721 737 HG LEU 106 HG LEU 106 -4.870 -4.720 -5.935 738 HD11 LEU 106 HD11 LEU 106 -3.748 -6.805 -6.516 739 HD12 LEU 106 HD12 LEU 106 -5.488 -6.925 -6.780 740 HD13 LEU 106 HD13 LEU 106 -4.757 -7.683 -5.368 741 HD21 LEU 106 HD21 LEU 106 -7.072 -5.589 -5.348 742 HD22 LEU 106 HD22 LEU 106 -6.434 -4.654 -4.000 743 HD23 LEU 106 HD23 LEU 106 -6.405 -6.413 -3.941 744 H THR 107 HN THR 107 -1.642 -8.213 -3.668 745 HA THR 107 HA THR 107 0.070 -6.882 -1.672 746 HB THR 107 HB THR 107 0.123 -9.838 -2.175 747 HG1 THR 107 HG1 THR 107 -2.017 -9.017 -1.484 748 HG21 THR 107 HG21 THR 107 2.017 -8.812 -0.962 749 HG22 THR 107 HG22 THR 107 1.088 -9.902 0.066 750 HG23 THR 107 HG23 THR 107 0.888 -8.157 0.226 751 H TYR 108 HN TYR 108 2.224 -6.790 -1.988 752 HA TYR 108 HA TYR 108 3.431 -8.004 -4.373 753 HB2 TYR 108 HB2 TYR 108 3.213 -5.810 -5.172 754 HB3 TYR 108 HB1 TYR 108 3.388 -5.112 -3.590 755 HD1 TYR 108 HD1 TYR 108 5.373 -4.201 -2.921 756 HD2 TYR 108 HD2 TYR 108 5.358 -6.859 -6.230 757 HE1 TYR 108 HE1 TYR 108 7.701 -3.623 -3.359 758 HE2 TYR 108 HE2 TYR 108 7.714 -6.311 -6.682 759 HH TYR 108 HH TYR 108 9.309 -4.536 -6.257 760 H ASP 109 HN ASP 109 5.623 -8.632 -4.007 761 HA ASP 109 HA ASP 109 6.483 -8.315 -1.211 762 HB2 ASP 109 HB2 ASP 109 6.074 -10.668 -2.244 763 HB3 ASP 109 HB1 ASP 109 7.612 -10.395 -3.060 764 H TRP 110 HN TRP 110 8.062 -6.932 -0.908 765 HA TRP 110 HA TRP 110 9.530 -5.874 -3.142 766 HB2 TRP 110 HB2 TRP 110 9.065 -4.160 -1.696 767 HB3 TRP 110 HB1 TRP 110 9.195 -5.173 -0.269 768 HD1 TRP 110 HD1 TRP 110 11.591 -3.524 -2.864 769 HE1 TRP 110 HE1 TRP 110 13.753 -2.869 -1.610 770 HE3 TRP 110 HE3 TRP 110 10.465 -5.391 1.751 771 HZ2 TRP 110 HZ2 TRP 110 14.825 -3.129 0.977 772 HZ3 TRP 110 HZ3 TRP 110 12.109 -5.146 3.559 773 HH2 TRP 110 HH2 TRP 110 14.246 -4.037 3.185 774 H SER 111 HN SER 111 10.129 -8.145 -0.560 775 HA SER 111 HA SER 111 12.971 -8.170 -1.121 776 HB2 SER 111 HB2 SER 111 11.260 -9.544 0.915 777 HB3 SER 111 HB1 SER 111 12.972 -9.871 0.734 778 HG SER 111 HG SER 111 12.926 -7.335 0.836 779 H ALA 112 HN ALA 112 10.132 -10.210 -1.404 780 HA ALA 112 HA ALA 112 9.722 -12.185 -2.424 781 HB1 ALA 112 HB1 ALA 112 10.285 -12.217 -4.746 782 HB2 ALA 112 HB2 ALA 112 11.560 -11.027 -4.490 783 HB3 ALA 112 HB3 ALA 112 9.873 -10.573 -4.256 784 H ASN 113 HN ASN 113 10.719 -13.561 -0.954 785 HA ASN 113 HA ASN 113 13.468 -14.352 -1.330 786 HB2 ASN 113 HB2 ASN 113 12.218 -14.265 0.912 787 HB3 ASN 113 HB1 ASN 113 11.447 -15.765 0.407 788 HD21 ASN 113 HD21 ASN 113 14.412 -14.247 1.370 789 HD22 ASN 113 HD22 ASN 113 15.309 -15.701 1.648 790 H GLY 114 HN GLY 114 13.032 -14.887 -3.601 791 HA2 GLY 114 HA2 GLY 114 13.377 -17.357 -4.407 792 HA3 GLY 114 HA1 GLY 114 11.659 -17.438 -4.031 793 H VAL 115 HN VAL 115 10.224 -15.975 -5.161 794 HA VAL 115 HA VAL 115 11.294 -15.042 -7.742 795 HB VAL 115 HB VAL 115 8.544 -16.242 -7.325 796 HG11 VAL 115 HG11 VAL 115 9.947 -15.497 -9.888 797 HG12 VAL 115 HG12 VAL 115 8.756 -14.481 -9.079 798 HG13 VAL 115 HG13 VAL 115 8.285 -16.065 -9.707 799 HG21 VAL 115 HG21 VAL 115 9.353 -18.119 -8.698 800 HG22 VAL 115 HG22 VAL 115 10.215 -17.988 -7.164 801 HG23 VAL 115 HG23 VAL 115 10.975 -17.430 -8.655 802 H ASN 116 HN ASN 116 10.322 -13.150 -8.551 803 HA ASN 116 HA ASN 116 9.263 -11.459 -6.449 804 HB2 ASN 116 HB2 ASN 116 11.113 -10.747 -8.010 805 HB3 ASN 116 HB1 ASN 116 9.918 -10.714 -9.300 806 HD21 ASN 116 HD21 ASN 116 10.999 -9.216 -6.355 807 HD22 ASN 116 HD22 ASN 116 10.091 -7.755 -6.528 808 H SER 117 HN SER 117 7.390 -10.042 -6.887 809 HA SER 117 HA SER 117 5.111 -11.431 -7.674 810 HB2 SER 117 HB2 SER 117 5.103 -9.430 -6.206 811 HB3 SER 117 HB1 SER 117 5.498 -8.432 -7.601 812 HG SER 117 HG SER 117 3.523 -8.844 -8.473 813 H ASN 118 HN ASN 118 7.053 -9.081 -9.411 814 HA ASN 118 HA ASN 118 7.308 -8.555 -11.594 815 HB2 ASN 118 HB2 ASN 118 7.601 -11.029 -11.847 816 HB3 ASN 118 HB1 ASN 118 5.880 -11.155 -12.193 817 HD21 ASN 118 HD21 ASN 118 8.974 -10.126 -13.362 818 HD22 ASN 118 HD22 ASN 118 8.493 -9.879 -15.010 Start of MODEL 9 1 H1 HIS 6 HT1 HIS 6 -19.921 -7.229 -3.980 2 H2 HIS 6 HT2 HIS 6 -21.357 -6.867 -4.787 3 H3 HIS 6 HT3 HIS 6 -20.434 -5.625 -4.111 4 HA HIS 6 HA HIS 6 -19.627 -7.369 -6.362 5 HB2 HIS 6 HB2 HIS 6 -21.370 -5.682 -6.916 6 HB3 HIS 6 HB1 HIS 6 -20.313 -4.416 -6.314 7 HD1 HIS 6 HD1 HIS 6 -20.870 -6.658 -9.239 8 HD2 HIS 6 HD2 HIS 6 -18.178 -3.730 -8.033 9 HE1 HIS 6 HE1 HIS 6 -19.610 -6.004 -11.309 10 HE2 HIS 6 HE2 HIS 6 -18.060 -4.158 -10.584 11 H GLN 7 HN GLN 7 -18.588 -5.656 -3.658 12 HA GLN 7 HA GLN 7 -16.372 -4.294 -4.787 13 HB2 GLN 7 HB2 GLN 7 -17.446 -3.640 -2.662 14 HB3 GLN 7 HB1 GLN 7 -16.766 -5.076 -1.919 15 HG2 GLN 7 HG2 GLN 7 -15.298 -3.360 -1.322 16 HG3 GLN 7 HG1 GLN 7 -14.497 -4.187 -2.664 17 HE21 GLN 7 HE21 GLN 7 -13.297 -2.365 -3.185 18 HE22 GLN 7 HE22 GLN 7 -13.999 -0.989 -3.964 19 H ASP 8 HN ASP 8 -16.842 -7.559 -3.775 20 HA ASP 8 HA ASP 8 -14.166 -8.187 -3.162 21 HB2 ASP 8 HB2 ASP 8 -15.988 -9.665 -2.552 22 HB3 ASP 8 HB1 ASP 8 -16.374 -9.941 -4.245 23 H ASN 9 HN ASN 9 -15.910 -7.947 -6.177 24 HA ASN 9 HA ASN 9 -13.608 -8.714 -7.760 25 HB2 ASN 9 HB2 ASN 9 -16.299 -7.542 -8.474 26 HB3 ASN 9 HB1 ASN 9 -15.041 -7.850 -9.665 27 HD21 ASN 9 HD21 ASN 9 -17.731 -9.000 -9.363 28 HD22 ASN 9 HD22 ASN 9 -17.493 -10.710 -9.278 29 H ALA 10 HN ALA 10 -15.215 -5.831 -6.648 30 HA ALA 10 HA ALA 10 -13.937 -3.970 -8.348 31 HB1 ALA 10 HB1 ALA 10 -14.988 -3.434 -5.577 32 HB2 ALA 10 HB2 ALA 10 -15.997 -3.510 -7.026 33 HB3 ALA 10 HB3 ALA 10 -14.743 -2.271 -6.883 34 H ARG 11 HN ARG 11 -13.188 -5.115 -5.082 35 HA ARG 11 HA ARG 11 -11.170 -3.347 -4.439 36 HB2 ARG 11 HB2 ARG 11 -10.315 -5.028 -2.914 37 HB3 ARG 11 HB1 ARG 11 -12.065 -4.949 -2.832 38 HG2 ARG 11 HG2 ARG 11 -11.823 -7.209 -2.867 39 HG3 ARG 11 HG1 ARG 11 -11.867 -6.909 -4.601 40 HD2 ARG 11 HD2 ARG 11 -9.470 -7.023 -4.747 41 HD3 ARG 11 HD1 ARG 11 -9.325 -7.145 -2.999 42 HE ARG 11 HE ARG 11 -10.923 -9.257 -3.969 43 HH11 ARG 11 HH11 ARG 11 -7.585 -8.194 -3.875 44 HH12 ARG 11 HH12 ARG 11 -6.933 -9.797 -3.947 45 HH21 ARG 11 HH21 ARG 11 -10.066 -11.376 -4.054 46 HH22 ARG 11 HH22 ARG 11 -8.348 -11.611 -4.063 47 H LYS 12 HN LYS 12 -11.061 -6.250 -6.344 48 HA LYS 12 HA LYS 12 -8.307 -6.483 -6.614 49 HB2 LYS 12 HB2 LYS 12 -9.945 -8.216 -7.292 50 HB3 LYS 12 HB1 LYS 12 -10.428 -7.193 -8.646 51 HG2 LYS 12 HG2 LYS 12 -8.954 -8.574 -9.670 52 HG3 LYS 12 HG1 LYS 12 -7.858 -7.293 -9.172 53 HD2 LYS 12 HD2 LYS 12 -7.400 -8.630 -7.103 54 HD3 LYS 12 HD1 LYS 12 -8.319 -9.948 -7.835 55 HE2 LYS 12 HE2 LYS 12 -6.786 -9.760 -9.813 56 HE3 LYS 12 HE1 LYS 12 -5.817 -8.663 -8.840 57 HZ1 LYS 12 HZ1 LYS 12 -4.966 -10.928 -8.759 58 HZ2 LYS 12 HZ2 LYS 12 -6.442 -11.480 -8.147 59 HZ3 LYS 12 HZ3 LYS 12 -5.488 -10.429 -7.231 60 H SER 13 HN SER 13 -10.693 -4.635 -8.428 61 HA SER 13 HA SER 13 -8.669 -3.777 -10.327 62 HB2 SER 13 HB2 SER 13 -11.634 -3.218 -10.061 63 HB3 SER 13 HB1 SER 13 -10.627 -2.614 -11.388 64 HG SER 13 HG SER 13 -10.773 -5.367 -10.733 65 H ARG 14 HN ARG 14 -10.745 -2.309 -7.850 66 HA ARG 14 HA ARG 14 -9.946 0.346 -8.359 67 HB2 ARG 14 HB2 ARG 14 -11.021 0.898 -6.220 68 HB3 ARG 14 HB1 ARG 14 -12.042 -0.171 -7.175 69 HG2 ARG 14 HG2 ARG 14 -12.155 -1.582 -5.460 70 HG3 ARG 14 HG1 ARG 14 -10.402 -1.787 -5.541 71 HD2 ARG 14 HD2 ARG 14 -11.310 -1.068 -3.316 72 HD3 ARG 14 HD1 ARG 14 -10.031 -0.057 -3.965 73 HE ARG 14 HE ARG 14 -12.476 1.032 -4.775 74 HH11 ARG 14 HH11 ARG 14 -10.700 0.503 -1.813 75 HH12 ARG 14 HH12 ARG 14 -11.490 1.788 -0.954 76 HH21 ARG 14 HH21 ARG 14 -13.516 2.728 -3.663 77 HH22 ARG 14 HH22 ARG 14 -13.082 3.070 -2.019 78 H ILE 15 HN ILE 15 -8.649 -2.144 -6.271 79 HA ILE 15 HA ILE 15 -6.847 -0.278 -5.006 80 HB ILE 15 HB ILE 15 -6.833 -3.291 -4.965 81 HG12 ILE 15 HG12 ILE 15 -7.818 -1.409 -2.811 82 HG13 ILE 15 HG11 ILE 15 -8.891 -2.133 -4.008 83 HG21 ILE 15 HG21 ILE 15 -5.406 -3.014 -2.988 84 HG22 ILE 15 HG22 ILE 15 -5.454 -1.259 -3.203 85 HG23 ILE 15 HG23 ILE 15 -4.674 -2.276 -4.417 86 HD11 ILE 15 HD11 ILE 15 -8.392 -4.323 -3.239 87 HD12 ILE 15 HD12 ILE 15 -8.814 -3.320 -1.834 88 HD13 ILE 15 HD13 ILE 15 -7.122 -3.707 -2.170 89 H GLN 16 HN GLN 16 -6.710 -2.915 -7.359 90 HA GLN 16 HA GLN 16 -4.008 -3.214 -7.678 91 HB2 GLN 16 HB2 GLN 16 -6.258 -4.143 -8.908 92 HB3 GLN 16 HB1 GLN 16 -5.436 -3.288 -10.202 93 HG2 GLN 16 HG2 GLN 16 -4.086 -5.320 -8.470 94 HG3 GLN 16 HG1 GLN 16 -4.924 -5.738 -9.962 95 HE21 GLN 16 HE21 GLN 16 -2.157 -6.098 -9.289 96 HE22 GLN 16 HE22 GLN 16 -1.251 -5.231 -10.477 97 H SER 17 HN SER 17 -6.108 -0.887 -9.337 98 HA SER 17 HA SER 17 -4.279 0.062 -11.186 99 HB2 SER 17 HB2 SER 17 -6.394 1.681 -9.753 100 HB3 SER 17 HB1 SER 17 -5.666 2.064 -11.313 101 HG SER 17 HG SER 17 -7.709 0.363 -10.724 102 H GLU 18 HN GLU 18 -4.858 1.210 -7.897 103 HA GLU 18 HA GLU 18 -2.607 3.013 -8.071 104 HB2 GLU 18 HB2 GLU 18 -4.277 2.457 -5.650 105 HB3 GLU 18 HB1 GLU 18 -3.304 3.875 -6.003 106 HG2 GLU 18 HG2 GLU 18 -5.569 3.086 -7.755 107 HG3 GLU 18 HG1 GLU 18 -5.826 4.029 -6.282 108 H HIS 19 HN HIS 19 -3.364 -0.109 -6.722 109 HA HIS 19 HA HIS 19 -1.456 -0.415 -4.746 110 HB2 HIS 19 HB2 HIS 19 -2.749 -2.293 -4.777 111 HB3 HIS 19 HB1 HIS 19 -2.972 -2.253 -6.512 112 HD1 HIS 19 HD1 HIS 19 -0.276 -3.286 -4.008 113 HD2 HIS 19 HD2 HIS 19 -1.681 -4.230 -7.801 114 HE1 HIS 19 HE1 HIS 19 1.044 -5.291 -4.734 115 HE2 HIS 19 HE2 HIS 19 0.070 -5.938 -6.962 116 H ARG 20 HN ARG 20 -1.053 -1.021 -8.225 117 HA ARG 20 HA ARG 20 1.651 -1.755 -8.152 118 HB2 ARG 20 HB2 ARG 20 0.196 -0.231 -10.328 119 HB3 ARG 20 HB1 ARG 20 1.670 -1.171 -10.525 120 HG2 ARG 20 HG2 ARG 20 -0.439 -2.767 -9.353 121 HG3 ARG 20 HG1 ARG 20 -0.945 -2.046 -10.886 122 HD2 ARG 20 HD2 ARG 20 0.160 -4.316 -11.025 123 HD3 ARG 20 HD1 ARG 20 0.837 -3.065 -12.058 124 HE ARG 20 HE ARG 20 2.436 -2.884 -9.937 125 HH11 ARG 20 HH11 ARG 20 1.294 -5.691 -11.678 126 HH12 ARG 20 HH12 ARG 20 2.728 -6.616 -11.382 127 HH21 ARG 20 HH21 ARG 20 4.336 -4.090 -9.558 128 HH22 ARG 20 HH22 ARG 20 4.465 -5.705 -10.178 129 H GLU 21 HN GLU 21 0.089 1.362 -8.237 130 HA GLU 21 HA GLU 21 2.342 2.995 -8.671 131 HB2 GLU 21 HB2 GLU 21 -0.082 3.776 -7.069 132 HB3 GLU 21 HB1 GLU 21 0.903 4.789 -8.109 133 HG2 GLU 21 HG2 GLU 21 -0.878 2.554 -9.043 134 HG3 GLU 21 HG1 GLU 21 -1.316 4.264 -9.070 135 H LEU 22 HN LEU 22 0.676 2.018 -5.692 136 HA LEU 22 HA LEU 22 2.309 3.390 -3.893 137 HB2 LEU 22 HB2 LEU 22 0.678 0.890 -3.573 138 HB3 LEU 22 HB1 LEU 22 1.671 1.499 -2.265 139 HG LEU 22 HG LEU 22 -0.390 2.384 -1.747 140 HD11 LEU 22 HD11 LEU 22 -0.246 4.754 -2.142 141 HD12 LEU 22 HD12 LEU 22 0.783 4.516 -3.552 142 HD13 LEU 22 HD13 LEU 22 1.387 4.126 -1.937 143 HD21 LEU 22 HD21 LEU 22 -0.841 3.112 -4.629 144 HD22 LEU 22 HD22 LEU 22 -1.989 3.220 -3.293 145 HD23 LEU 22 HD23 LEU 22 -1.446 1.642 -3.861 146 H VAL 23 HN VAL 23 2.770 0.209 -5.378 147 HA VAL 23 HA VAL 23 5.075 -0.286 -3.755 148 HB VAL 23 HB VAL 23 4.740 -2.360 -4.316 149 HG11 VAL 23 HG11 VAL 23 2.929 -3.111 -5.699 150 HG12 VAL 23 HG12 VAL 23 2.828 -1.534 -6.482 151 HG13 VAL 23 HG13 VAL 23 2.395 -1.697 -4.781 152 HG21 VAL 23 HG21 VAL 23 6.455 -2.108 -5.926 153 HG22 VAL 23 HG22 VAL 23 5.304 -1.485 -7.117 154 HG23 VAL 23 HG23 VAL 23 5.210 -3.170 -6.596 155 H SER 24 HN SER 24 4.433 0.903 -6.999 156 HA SER 24 HA SER 24 7.040 1.232 -7.915 157 HB2 SER 24 HB2 SER 24 4.921 1.783 -9.169 158 HB3 SER 24 HB1 SER 24 4.795 3.250 -8.196 159 HG SER 24 HG SER 24 6.543 4.079 -9.174 160 H ALA 25 HN ALA 25 5.221 2.890 -5.472 161 HA ALA 25 HA ALA 25 7.226 4.974 -5.082 162 HB1 ALA 25 HB1 ALA 25 4.886 4.295 -3.308 163 HB2 ALA 25 HB2 ALA 25 4.754 5.345 -4.728 164 HB3 ALA 25 HB3 ALA 25 5.794 5.811 -3.360 165 H ILE 26 HN ILE 26 6.263 1.894 -3.584 166 HA ILE 26 HA ILE 26 7.831 2.121 -1.294 167 HB ILE 26 HB ILE 26 6.463 -0.070 -2.670 168 HG12 ILE 26 HG12 ILE 26 7.128 0.661 0.166 169 HG13 ILE 26 HG11 ILE 26 5.581 0.821 -0.664 170 HG21 ILE 26 HG21 ILE 26 8.929 -0.764 -1.092 171 HG22 ILE 26 HG22 ILE 26 8.732 -0.993 -2.830 172 HG23 ILE 26 HG23 ILE 26 7.726 -1.901 -1.697 173 HD11 ILE 26 HD11 ILE 26 5.321 -1.532 -0.755 174 HD12 ILE 26 HD12 ILE 26 5.679 -1.062 0.917 175 HD13 ILE 26 HD13 ILE 26 6.933 -1.790 -0.095 176 H GLN 27 HN GLN 27 8.582 0.837 -4.490 177 HA GLN 27 HA GLN 27 11.194 -0.002 -3.935 178 HB2 GLN 27 HB2 GLN 27 10.004 1.007 -6.538 179 HB3 GLN 27 HB1 GLN 27 11.493 0.075 -6.397 180 HG2 GLN 27 HG2 GLN 27 10.211 -1.789 -5.477 181 HG3 GLN 27 HG1 GLN 27 8.738 -0.848 -5.628 182 HE21 GLN 27 HE21 GLN 27 7.852 -0.503 -7.649 183 HE22 GLN 27 HE22 GLN 27 8.329 -1.410 -9.041 184 H SER 28 HN SER 28 9.808 3.069 -4.687 185 HA SER 28 HA SER 28 12.232 4.503 -5.114 186 HB2 SER 28 HB2 SER 28 9.398 5.353 -4.495 187 HB3 SER 28 HB1 SER 28 10.673 6.460 -4.972 188 HG SER 28 HG SER 28 9.253 4.605 -6.478 189 H TYR 29 HN TYR 29 9.905 4.277 -2.433 190 HA TYR 29 HA TYR 29 11.191 5.905 -0.561 191 HB2 TYR 29 HB2 TYR 29 8.851 5.020 -0.465 192 HB3 TYR 29 HB1 TYR 29 9.502 3.441 -0.062 193 HD1 TYR 29 HD1 TYR 29 7.470 4.578 1.724 194 HD2 TYR 29 HD2 TYR 29 11.679 5.251 1.642 195 HE1 TYR 29 HE1 TYR 29 7.435 5.189 4.101 196 HE2 TYR 29 HE2 TYR 29 11.638 5.887 4.023 197 HH TYR 29 HH TYR 29 9.013 5.251 6.033 198 H ILE 30 HN ILE 30 11.239 2.365 -0.870 199 HA ILE 30 HA ILE 30 12.916 1.899 1.318 200 HB ILE 30 HB ILE 30 12.399 0.208 -1.120 201 HG12 ILE 30 HG12 ILE 30 11.128 0.332 1.615 202 HG13 ILE 30 HG11 ILE 30 10.382 0.750 0.078 203 HG21 ILE 30 HG21 ILE 30 14.415 -0.537 -0.056 204 HG22 ILE 30 HG22 ILE 30 13.116 -1.676 0.306 205 HG23 ILE 30 HG23 ILE 30 13.635 -0.509 1.526 206 HD11 ILE 30 HD11 ILE 30 11.236 -1.982 0.967 207 HD12 ILE 30 HD12 ILE 30 10.576 -1.582 -0.623 208 HD13 ILE 30 HD13 ILE 30 9.586 -1.370 0.831 209 H GLY 31 HN GLY 31 13.668 2.311 -2.116 210 HA2 GLY 31 HA2 GLY 31 16.410 1.566 -1.835 211 HA3 GLY 31 HA1 GLY 31 15.697 2.402 -3.215 212 H ALA 32 HN ALA 32 14.694 4.273 -0.885 213 HA ALA 32 HA ALA 32 16.984 6.092 -1.038 214 HB1 ALA 32 HB1 ALA 32 15.421 7.812 -0.388 215 HB2 ALA 32 HB2 ALA 32 14.179 6.600 -0.069 216 HB3 ALA 32 HB3 ALA 32 14.733 6.882 -1.722 217 H GLN 33 HN GLN 33 15.200 4.092 1.114 218 HA GLN 33 HA GLN 33 15.451 5.396 3.503 219 HB2 GLN 33 HB2 GLN 33 15.118 2.574 2.692 220 HB3 GLN 33 HB1 GLN 33 15.394 2.969 4.389 221 HG2 GLN 33 HG2 GLN 33 13.367 4.490 2.876 222 HG3 GLN 33 HG1 GLN 33 12.993 2.866 3.403 223 HE21 GLN 33 HE21 GLN 33 11.503 3.433 4.995 224 HE22 GLN 33 HE22 GLN 33 11.918 4.334 6.412 225 H ASP 34 HN ASP 34 16.642 4.818 5.361 226 HA ASP 34 HA ASP 34 19.452 4.795 5.002 227 HB2 ASP 34 HB2 ASP 34 18.100 5.848 6.895 228 HB3 ASP 34 HB1 ASP 34 17.996 4.228 7.564 229 H ASP 35 HN ASP 35 17.037 2.455 5.709 230 HA ASP 35 HA ASP 35 18.982 0.331 5.207 231 HB2 ASP 35 HB2 ASP 35 16.943 -0.607 7.018 232 HB3 ASP 35 HB1 ASP 35 18.682 -0.776 7.140 233 HA PRO 36 HA PRO 36 15.392 -0.205 2.484 234 HB2 PRO 36 HB2 PRO 36 16.673 -1.430 0.515 235 HB3 PRO 36 HB1 PRO 36 16.944 0.284 0.814 236 HG2 PRO 36 HG2 PRO 36 18.570 -2.037 1.818 237 HG3 PRO 36 HG1 PRO 36 19.136 -0.644 0.883 238 HD2 PRO 36 HD2 PRO 36 19.341 -0.650 3.533 239 HD3 PRO 36 HD1 PRO 36 18.853 0.826 2.674 240 H THR 37 HN THR 37 17.394 -2.246 4.136 241 HA THR 37 HA THR 37 16.520 -4.766 3.195 242 HB THR 37 HB THR 37 17.901 -5.669 4.955 243 HG1 THR 37 HG1 THR 37 18.783 -4.069 6.516 244 HG21 THR 37 HG21 THR 37 19.997 -4.407 4.601 245 HG22 THR 37 HG22 THR 37 19.060 -3.080 3.901 246 HG23 THR 37 HG23 THR 37 19.114 -4.651 3.092 247 H ASN 38 HN ASN 38 15.607 -2.645 5.750 248 HA ASN 38 HA ASN 38 12.996 -3.741 5.860 249 HB2 ASN 38 HB2 ASN 38 14.168 -5.315 7.267 250 HB3 ASN 38 HB1 ASN 38 14.767 -4.017 8.291 251 HD21 ASN 38 HD21 ASN 38 12.062 -5.999 7.440 252 HD22 ASN 38 HD22 ASN 38 11.036 -5.522 8.746 253 HA PRO 39 HA PRO 39 13.621 0.800 6.599 254 HB2 PRO 39 HB2 PRO 39 11.554 1.446 4.902 255 HB3 PRO 39 HB1 PRO 39 13.258 1.369 4.446 256 HG2 PRO 39 HG2 PRO 39 11.108 -0.651 4.057 257 HG3 PRO 39 HG1 PRO 39 12.424 -0.183 2.981 258 HD2 PRO 39 HD2 PRO 39 12.506 -2.430 4.404 259 HD3 PRO 39 HD1 PRO 39 13.963 -1.492 4.065 260 H SER 40 HN SER 40 11.892 2.402 7.135 261 HA SER 40 HA SER 40 10.255 1.727 9.249 262 HB2 SER 40 HB2 SER 40 9.548 3.882 7.260 263 HB3 SER 40 HB1 SER 40 9.332 3.897 9.010 264 HG SER 40 HG SER 40 11.766 3.732 9.010 265 H GLU 41 HN GLU 41 7.960 1.479 9.420 266 HA GLU 41 HA GLU 41 6.807 -0.173 7.438 267 HB2 GLU 41 HB2 GLU 41 5.916 -0.674 9.446 268 HB3 GLU 41 HB1 GLU 41 5.959 0.988 10.013 269 HG2 GLU 41 HG2 GLU 41 4.023 1.516 8.720 270 HG3 GLU 41 HG1 GLU 41 3.976 -0.100 8.030 271 H ILE 42 HN ILE 42 6.338 0.449 5.616 272 HA ILE 42 HA ILE 42 6.160 3.172 4.897 273 HB ILE 42 HB ILE 42 5.968 0.594 3.385 274 HG12 ILE 42 HG12 ILE 42 8.059 2.716 3.803 275 HG13 ILE 42 HG11 ILE 42 8.162 0.996 4.149 276 HG21 ILE 42 HG21 ILE 42 5.987 3.373 2.239 277 HG22 ILE 42 HG22 ILE 42 4.593 2.300 2.287 278 HG23 ILE 42 HG23 ILE 42 6.010 1.859 1.336 279 HD11 ILE 42 HD11 ILE 42 9.486 1.629 2.223 280 HD12 ILE 42 HD12 ILE 42 8.029 2.225 1.425 281 HD13 ILE 42 HD13 ILE 42 8.199 0.503 1.788 282 H THR 43 HN THR 43 4.433 4.394 4.544 283 HA THR 43 HA THR 43 1.846 3.070 4.143 284 HB THR 43 HB THR 43 0.723 4.791 5.474 285 HG1 THR 43 HG1 THR 43 2.005 6.216 6.739 286 HG21 THR 43 HG21 THR 43 2.942 3.378 6.977 287 HG22 THR 43 HG22 THR 43 1.354 2.710 6.595 288 HG23 THR 43 HG23 THR 43 1.492 4.070 7.710 289 H LEU 44 HN LEU 44 0.212 4.655 3.348 290 HA LEU 44 HA LEU 44 1.091 5.645 0.883 291 HB2 LEU 44 HB2 LEU 44 -1.418 6.342 2.340 292 HB3 LEU 44 HB1 LEU 44 -1.152 6.399 0.621 293 HG LEU 44 HG LEU 44 -1.441 4.008 2.375 294 HD11 LEU 44 HD11 LEU 44 -3.307 5.379 1.061 295 HD12 LEU 44 HD12 LEU 44 -3.383 3.643 1.343 296 HD13 LEU 44 HD13 LEU 44 -2.812 4.255 -0.206 297 HD21 LEU 44 HD21 LEU 44 -0.961 2.748 0.190 298 HD22 LEU 44 HD22 LEU 44 0.406 3.390 1.093 299 HD23 LEU 44 HD23 LEU 44 -0.187 4.239 -0.332 300 H ALA 45 HN ALA 45 0.356 7.121 3.925 301 HA ALA 45 HA ALA 45 0.533 9.814 3.138 302 HB1 ALA 45 HB1 ALA 45 -0.620 9.113 5.145 303 HB2 ALA 45 HB2 ALA 45 0.684 10.234 5.566 304 HB3 ALA 45 HB3 ALA 45 0.900 8.497 5.825 305 H LYS 46 HN LYS 46 2.899 7.409 3.898 306 HA LYS 46 HA LYS 46 5.114 9.266 4.079 307 HB2 LYS 46 HB2 LYS 46 4.931 6.281 4.058 308 HB3 LYS 46 HB1 LYS 46 6.424 7.155 4.232 309 HG2 LYS 46 HG2 LYS 46 5.680 8.098 6.316 310 HG3 LYS 46 HG1 LYS 46 4.099 7.334 6.113 311 HD2 LYS 46 HD2 LYS 46 5.371 5.130 5.990 312 HD3 LYS 46 HD1 LYS 46 6.758 6.029 6.613 313 HE2 LYS 46 HE2 LYS 46 4.059 5.865 7.924 314 HE3 LYS 46 HE1 LYS 46 5.459 4.881 8.358 315 HZ1 LYS 46 HZ1 LYS 46 6.645 6.948 8.898 316 HZ2 LYS 46 HZ2 LYS 46 5.268 6.730 9.853 317 HZ3 LYS 46 HZ3 LYS 46 5.238 7.832 8.572 318 H LEU 47 HN LEU 47 3.683 7.029 1.808 319 HA LEU 47 HA LEU 47 5.857 6.966 0.002 320 HB2 LEU 47 HB2 LEU 47 2.993 6.114 -0.108 321 HB3 LEU 47 HB1 LEU 47 4.008 6.030 -1.538 322 HG LEU 47 HG LEU 47 4.525 4.624 1.079 323 HD11 LEU 47 HD11 LEU 47 3.604 3.574 -1.591 324 HD12 LEU 47 HD12 LEU 47 2.642 3.674 -0.115 325 HD13 LEU 47 HD13 LEU 47 4.031 2.589 -0.192 326 HD21 LEU 47 HD21 LEU 47 6.009 4.527 -1.545 327 HD22 LEU 47 HD22 LEU 47 6.316 3.482 -0.159 328 HD23 LEU 47 HD23 LEU 47 6.600 5.217 -0.034 329 H ALA 48 HN ALA 48 3.642 9.361 0.651 330 HA ALA 48 HA ALA 48 2.725 10.409 -1.666 331 HB1 ALA 48 HB1 ALA 48 2.547 12.495 -0.604 332 HB2 ALA 48 HB2 ALA 48 3.925 12.173 0.440 333 HB3 ALA 48 HB3 ALA 48 2.415 11.292 0.681 334 HA PRO 49 HA PRO 49 6.748 12.952 -2.536 335 HB2 PRO 49 HB2 PRO 49 8.811 11.517 -0.988 336 HB3 PRO 49 HB1 PRO 49 8.513 13.244 -1.126 337 HG2 PRO 49 HG2 PRO 49 7.931 11.994 1.127 338 HG3 PRO 49 HG1 PRO 49 6.802 13.200 0.468 339 HD2 PRO 49 HD2 PRO 49 6.732 10.220 0.176 340 HD3 PRO 49 HD1 PRO 49 5.441 11.299 0.727 341 H TYR 50 HN TYR 50 6.633 9.549 -2.302 342 HA TYR 50 HA TYR 50 8.741 9.169 -4.308 343 HB2 TYR 50 HB2 TYR 50 7.325 7.092 -2.641 344 HB3 TYR 50 HB1 TYR 50 8.760 6.858 -3.626 345 HD1 TYR 50 HD1 TYR 50 10.861 8.062 -2.989 346 HD2 TYR 50 HD2 TYR 50 7.506 7.791 -0.402 347 HE1 TYR 50 HE1 TYR 50 12.313 8.589 -1.067 348 HE2 TYR 50 HE2 TYR 50 8.934 8.321 1.528 349 HH TYR 50 HH TYR 50 11.257 8.224 2.175 350 H MET 51 HN MET 51 5.425 9.444 -4.108 351 HA MET 51 HA MET 51 4.674 7.363 -5.901 352 HB2 MET 51 HB2 MET 51 3.201 9.860 -5.088 353 HB3 MET 51 HB1 MET 51 2.513 8.571 -6.065 354 HG2 MET 51 HG2 MET 51 3.566 8.232 -3.287 355 HG3 MET 51 HG1 MET 51 1.874 8.487 -3.699 356 HE1 MET 51 HE1 MET 51 2.127 6.088 -6.537 357 HE2 MET 51 HE2 MET 51 0.982 7.172 -5.737 358 HE3 MET 51 HE3 MET 51 0.830 5.415 -5.539 359 H SER 52 HN SER 52 4.461 7.338 -7.964 360 HA SER 52 HA SER 52 5.177 9.722 -9.528 361 HB2 SER 52 HB2 SER 52 5.039 6.834 -10.437 362 HB3 SER 52 HB1 SER 52 5.659 8.197 -11.372 363 HG SER 52 HG SER 52 7.344 8.408 -9.901 364 H LYS 53 HN LYS 53 2.684 7.566 -8.714 365 HA LYS 53 HA LYS 53 0.832 8.247 -10.744 366 HB2 LYS 53 HB2 LYS 53 0.528 6.171 -9.749 367 HB3 LYS 53 HB1 LYS 53 0.899 6.770 -8.148 368 HG2 LYS 53 HG2 LYS 53 -1.585 7.675 -9.462 369 HG3 LYS 53 HG1 LYS 53 -1.504 6.047 -8.819 370 HD2 LYS 53 HD2 LYS 53 -0.734 7.030 -6.658 371 HD3 LYS 53 HD1 LYS 53 -1.097 8.627 -7.331 372 HE2 LYS 53 HE2 LYS 53 -3.433 7.750 -7.751 373 HE3 LYS 53 HE1 LYS 53 -2.998 6.365 -6.743 374 HZ1 LYS 53 HZ1 LYS 53 -4.150 8.106 -5.517 375 HZ2 LYS 53 HZ2 LYS 53 -2.919 9.211 -5.888 376 HZ3 LYS 53 HZ3 LYS 53 -2.587 7.862 -4.921 377 H ASN 54 HN ASN 54 -1.212 9.360 -10.206 378 HA ASN 54 HA ASN 54 -1.273 11.896 -9.427 379 HB2 ASN 54 HB2 ASN 54 -3.163 10.548 -10.191 380 HB3 ASN 54 HB1 ASN 54 -3.335 9.902 -8.575 381 HD21 ASN 54 HD21 ASN 54 -5.441 10.719 -8.434 382 HD22 ASN 54 HD22 ASN 54 -5.736 12.403 -8.166 383 H ALA 55 HN ALA 55 0.087 12.382 -7.887 384 HA ALA 55 HA ALA 55 -0.890 12.549 -5.228 385 HB1 ALA 55 HB1 ALA 55 1.513 10.822 -5.761 386 HB2 ALA 55 HB2 ALA 55 -0.069 10.262 -5.219 387 HB3 ALA 55 HB3 ALA 55 0.913 11.291 -4.169 388 H LYS 56 HN LYS 56 0.321 13.975 -3.963 389 HA LYS 56 HA LYS 56 2.645 15.258 -5.162 390 HB2 LYS 56 HB2 LYS 56 0.208 16.718 -4.150 391 HB3 LYS 56 HB1 LYS 56 1.733 17.494 -4.534 392 HG2 LYS 56 HG2 LYS 56 0.346 15.871 -6.613 393 HG3 LYS 56 HG1 LYS 56 -0.234 17.492 -6.242 394 HD2 LYS 56 HD2 LYS 56 1.265 17.776 -8.029 395 HD3 LYS 56 HD1 LYS 56 2.163 18.260 -6.597 396 HE2 LYS 56 HE2 LYS 56 3.403 16.244 -6.581 397 HE3 LYS 56 HE1 LYS 56 2.347 15.506 -7.786 398 HZ1 LYS 56 HZ1 LYS 56 4.137 17.829 -8.253 399 HZ2 LYS 56 HZ2 LYS 56 3.142 17.100 -9.408 400 HZ3 LYS 56 HZ3 LYS 56 4.440 16.242 -8.751 401 H ASN 57 HN ASN 57 0.526 15.912 -2.394 402 HA ASN 57 HA ASN 57 2.759 15.263 -0.598 403 HB2 ASN 57 HB2 ASN 57 0.350 17.041 -0.153 404 HB3 ASN 57 HB1 ASN 57 1.477 16.581 1.117 405 HD21 ASN 57 HD21 ASN 57 0.955 18.536 -1.680 406 HD22 ASN 57 HD22 ASN 57 2.386 19.496 -1.533 407 H GLU 58 HN GLU 58 1.386 14.856 1.711 408 HA GLU 58 HA GLU 58 0.486 12.222 1.437 409 HB2 GLU 58 HB2 GLU 58 0.856 12.295 3.624 410 HB3 GLU 58 HB1 GLU 58 0.996 14.043 3.539 411 HG2 GLU 58 HG2 GLU 58 -1.386 14.268 3.814 412 HG3 GLU 58 HG1 GLU 58 -1.544 12.515 3.913 413 H ASP 59 HN ASP 59 -1.257 15.241 1.807 414 HA ASP 59 HA ASP 59 -3.868 14.182 1.699 415 HB2 ASP 59 HB2 ASP 59 -3.499 16.405 2.528 416 HB3 ASP 59 HB1 ASP 59 -2.750 16.894 1.020 417 H GLY 60 HN GLY 60 -1.485 14.900 -0.677 418 HA2 GLY 60 HA2 GLY 60 -3.244 14.900 -2.935 419 HA3 GLY 60 HA1 GLY 60 -1.489 14.856 -2.978 420 H ILE 61 HN ILE 61 -1.155 12.497 -1.400 421 HA ILE 61 HA ILE 61 -1.550 10.621 -3.510 422 HB ILE 61 HB ILE 61 0.564 10.566 -2.457 423 HG12 ILE 61 HG12 ILE 61 0.794 8.320 -1.824 424 HG13 ILE 61 HG11 ILE 61 -0.870 8.216 -1.257 425 HG21 ILE 61 HG21 ILE 61 0.027 11.628 -0.360 426 HG22 ILE 61 HG22 ILE 61 0.914 10.128 -0.086 427 HG23 ILE 61 HG23 ILE 61 -0.828 10.182 0.175 428 HD11 ILE 61 HD11 ILE 61 -0.306 7.119 -3.491 429 HD12 ILE 61 HD12 ILE 61 -0.207 8.758 -4.133 430 HD13 ILE 61 HD13 ILE 61 -1.722 8.175 -3.427 431 H VAL 62 HN VAL 62 -2.393 10.669 -0.108 432 HA VAL 62 HA VAL 62 -3.547 8.106 -0.151 433 HB VAL 62 HB VAL 62 -3.831 10.332 1.863 434 HG11 VAL 62 HG11 VAL 62 -4.410 7.390 2.113 435 HG12 VAL 62 HG12 VAL 62 -5.584 8.711 2.199 436 HG13 VAL 62 HG13 VAL 62 -4.350 8.533 3.454 437 HG21 VAL 62 HG21 VAL 62 -1.695 8.573 1.132 438 HG22 VAL 62 HG22 VAL 62 -2.203 8.295 2.805 439 HG23 VAL 62 HG23 VAL 62 -1.707 9.915 2.286 440 H ASN 63 HN ASN 63 -4.960 11.328 -0.193 441 HA ASN 63 HA ASN 63 -7.651 10.542 -0.105 442 HB2 ASN 63 HB2 ASN 63 -7.072 12.832 0.310 443 HB3 ASN 63 HB1 ASN 63 -6.357 13.002 -1.287 444 HD21 ASN 63 HD21 ASN 63 -7.638 13.492 -2.998 445 HD22 ASN 63 HD22 ASN 63 -9.336 13.792 -2.878 446 H SER 64 HN SER 64 -5.382 10.742 -2.746 447 HA SER 64 HA SER 64 -7.394 10.369 -4.778 448 HB2 SER 64 HB2 SER 64 -4.379 10.160 -5.043 449 HB3 SER 64 HB1 SER 64 -5.552 10.379 -6.346 450 HG SER 64 HG SER 64 -4.437 12.232 -4.692 451 H LEU 65 HN LEU 65 -5.659 8.371 -2.676 452 HA LEU 65 HA LEU 65 -5.734 6.021 -4.368 453 HB2 LEU 65 HB2 LEU 65 -4.858 6.499 -1.540 454 HB3 LEU 65 HB1 LEU 65 -4.905 4.903 -2.266 455 HG LEU 65 HG LEU 65 -3.289 7.198 -3.322 456 HD11 LEU 65 HD11 LEU 65 -2.266 4.788 -1.872 457 HD12 LEU 65 HD12 LEU 65 -2.695 6.268 -1.017 458 HD13 LEU 65 HD13 LEU 65 -1.427 6.292 -2.238 459 HD21 LEU 65 HD21 LEU 65 -3.832 5.620 -5.029 460 HD22 LEU 65 HD22 LEU 65 -3.428 4.268 -3.970 461 HD23 LEU 65 HD23 LEU 65 -2.157 5.354 -4.545 462 H ALA 66 HN ALA 66 -6.722 4.041 -3.673 463 HA ALA 66 HA ALA 66 -9.407 4.113 -3.116 464 HB1 ALA 66 HB1 ALA 66 -9.293 1.751 -2.608 465 HB2 ALA 66 HB2 ALA 66 -7.549 1.866 -2.340 466 HB3 ALA 66 HB3 ALA 66 -8.207 2.104 -3.963 467 H LYS 67 HN LYS 67 -10.658 4.068 -1.413 468 HA LYS 67 HA LYS 67 -9.372 4.429 1.194 469 HB2 LYS 67 HB2 LYS 67 -11.989 5.504 0.162 470 HB3 LYS 67 HB1 LYS 67 -11.435 5.674 1.819 471 HG2 LYS 67 HG2 LYS 67 -10.333 6.934 -0.663 472 HG3 LYS 67 HG1 LYS 67 -10.894 7.708 0.820 473 HD2 LYS 67 HD2 LYS 67 -8.959 6.356 1.921 474 HD3 LYS 67 HD1 LYS 67 -8.337 6.271 0.268 475 HE2 LYS 67 HE2 LYS 67 -7.359 8.147 1.485 476 HE3 LYS 67 HE1 LYS 67 -8.357 8.710 0.143 477 HZ1 LYS 67 HZ1 LYS 67 -10.125 9.218 1.681 478 HZ2 LYS 67 HZ2 LYS 67 -8.711 9.992 2.182 479 HZ3 LYS 67 HZ3 LYS 67 -9.234 8.598 2.976 480 H ASP 68 HN ASP 68 -10.051 3.280 2.911 481 HA ASP 68 HA ASP 68 -11.695 0.959 2.331 482 HB2 ASP 68 HB2 ASP 68 -10.644 -0.047 4.097 483 HB3 ASP 68 HB1 ASP 68 -9.476 1.251 3.880 484 H LYS 69 HN LYS 69 -13.401 0.401 4.110 485 HA LYS 69 HA LYS 69 -15.142 2.712 4.147 486 HB2 LYS 69 HB2 LYS 69 -15.930 0.498 3.359 487 HB3 LYS 69 HB1 LYS 69 -15.746 -0.093 4.998 488 HG2 LYS 69 HG2 LYS 69 -18.043 0.408 4.677 489 HG3 LYS 69 HG1 LYS 69 -17.373 1.643 5.742 490 HD2 LYS 69 HD2 LYS 69 -18.829 2.669 4.099 491 HD3 LYS 69 HD1 LYS 69 -17.160 3.159 3.805 492 HE2 LYS 69 HE2 LYS 69 -16.965 1.583 1.994 493 HE3 LYS 69 HE1 LYS 69 -18.558 0.919 2.349 494 HZ1 LYS 69 HZ1 LYS 69 -19.565 2.981 1.704 495 HZ2 LYS 69 HZ2 LYS 69 -18.544 2.465 0.457 496 HZ3 LYS 69 HZ3 LYS 69 -18.056 3.713 1.484 497 H SER 70 HN SER 70 -13.628 0.566 6.534 498 HA SER 70 HA SER 70 -15.236 1.885 8.607 499 HB2 SER 70 HB2 SER 70 -13.855 -0.791 8.672 500 HB3 SER 70 HB1 SER 70 -14.857 -0.126 9.958 501 HG SER 70 HG SER 70 -15.579 -1.274 7.539 502 H GLY 71 HN GLY 71 -11.934 1.103 7.717 503 HA2 GLY 71 HA2 GLY 71 -9.935 1.822 8.613 504 HA3 GLY 71 HA1 GLY 71 -10.849 2.876 9.681 505 H ASN 72 HN ASN 72 -11.990 -0.238 9.877 506 HA ASN 72 HA ASN 72 -11.432 -0.417 12.620 507 HB2 ASN 72 HB2 ASN 72 -13.390 -1.464 11.501 508 HB3 ASN 72 HB1 ASN 72 -12.308 -2.645 10.769 509 HD21 ASN 72 HD21 ASN 72 -13.227 -4.408 11.762 510 HD22 ASN 72 HD22 ASN 72 -13.085 -4.707 13.459 511 H SER 73 HN SER 73 -9.762 -1.701 9.831 512 HA SER 73 HA SER 73 -8.295 -3.660 11.343 513 HB2 SER 73 HB2 SER 73 -8.930 -4.035 8.977 514 HB3 SER 73 HB1 SER 73 -7.865 -2.714 8.500 515 HG SER 73 HG SER 73 -6.268 -4.126 9.827 516 H SER 74 HN SER 74 -8.020 -0.367 11.037 517 HA SER 74 HA SER 74 -6.401 1.178 11.392 518 HB2 SER 74 HB2 SER 74 -6.221 -0.147 13.518 519 HB3 SER 74 HB1 SER 74 -4.916 -1.069 12.778 520 HG SER 74 HG SER 74 -4.919 1.487 13.814 521 H THR 75 HN THR 75 -5.914 1.367 9.175 522 HA THR 75 HA THR 75 -3.840 -0.358 8.063 523 HB THR 75 HB THR 75 -5.954 0.026 6.803 524 HG1 THR 75 HG1 THR 75 -3.467 0.827 5.683 525 HG21 THR 75 HG21 THR 75 -6.372 2.149 5.745 526 HG22 THR 75 HG22 THR 75 -4.883 2.821 6.410 527 HG23 THR 75 HG23 THR 75 -6.222 2.405 7.485 528 H SER 76 HN SER 76 -3.905 2.480 9.704 529 HA SER 76 HA SER 76 -2.338 4.059 10.137 530 HB2 SER 76 HB2 SER 76 -0.603 2.663 8.091 531 HB3 SER 76 HB1 SER 76 -0.069 3.831 9.301 532 HG SER 76 HG SER 76 -1.375 1.947 10.600 533 H ALA 77 HN ALA 77 -2.763 3.361 6.678 534 HA ALA 77 HA ALA 77 -2.210 6.060 5.862 535 HB1 ALA 77 HB1 ALA 77 -1.954 4.178 4.307 536 HB2 ALA 77 HB2 ALA 77 -3.060 5.418 3.692 537 HB3 ALA 77 HB3 ALA 77 -3.699 3.910 4.369 538 HA PRO 78 HA PRO 78 -5.902 7.843 7.482 539 HB2 PRO 78 HB2 PRO 78 -5.303 9.731 5.261 540 HB3 PRO 78 HB1 PRO 78 -5.704 10.089 6.941 541 HG2 PRO 78 HG2 PRO 78 -3.208 10.275 6.143 542 HG3 PRO 78 HG1 PRO 78 -3.571 9.459 7.671 543 HD2 PRO 78 HD2 PRO 78 -2.888 8.270 5.026 544 HD3 PRO 78 HD1 PRO 78 -2.366 7.780 6.649 545 H GLY 79 HN GLY 79 -7.620 6.618 6.973 546 HA2 GLY 79 HA2 GLY 79 -9.599 6.073 5.963 547 HA3 GLY 79 HA1 GLY 79 -9.349 7.439 4.894 548 H SER 80 HN SER 80 -6.682 5.469 4.539 549 HA SER 80 HA SER 80 -7.732 4.716 1.912 550 HB2 SER 80 HB2 SER 80 -5.205 5.632 2.959 551 HB3 SER 80 HB1 SER 80 -5.025 4.191 1.968 552 HG SER 80 HG SER 80 -6.550 5.485 0.500 553 H ALA 81 HN ALA 81 -7.015 2.805 0.893 554 HA ALA 81 HA ALA 81 -7.176 0.521 2.679 555 HB1 ALA 81 HB1 ALA 81 -7.559 0.704 -0.300 556 HB2 ALA 81 HB2 ALA 81 -8.846 0.818 0.901 557 HB3 ALA 81 HB3 ALA 81 -7.934 -0.687 0.721 558 H HIS 82 HN HIS 82 -4.625 1.621 2.705 559 HA HIS 82 HA HIS 82 -3.201 -0.681 1.676 560 HB2 HIS 82 HB2 HIS 82 -2.733 2.068 0.702 561 HB3 HIS 82 HB1 HIS 82 -1.320 1.104 1.036 562 HD1 HIS 82 HD1 HIS 82 -1.151 -1.173 -0.375 563 HD2 HIS 82 HD2 HIS 82 -3.933 1.636 -1.684 564 HE1 HIS 82 HE1 HIS 82 -1.683 -1.801 -2.753 565 HE2 HIS 82 HE2 HIS 82 -3.481 -0.185 -3.466 566 H GLN 83 HN GLN 83 -1.927 -1.505 3.128 567 HA GLN 83 HA GLN 83 -0.276 0.208 4.805 568 HB2 GLN 83 HB2 GLN 83 -2.091 -0.272 6.321 569 HB3 GLN 83 HB1 GLN 83 -2.078 -1.973 5.878 570 HG2 GLN 83 HG2 GLN 83 0.138 -2.219 6.888 571 HG3 GLN 83 HG1 GLN 83 0.119 -0.515 7.336 572 HE21 GLN 83 HE21 GLN 83 -1.095 0.152 9.060 573 HE22 GLN 83 HE22 GLN 83 -1.884 -0.941 10.147 574 H ILE 84 HN ILE 84 1.760 -0.499 4.640 575 HA ILE 84 HA ILE 84 2.197 -2.989 3.262 576 HB ILE 84 HB ILE 84 3.750 -0.518 3.801 577 HG12 ILE 84 HG12 ILE 84 3.914 -1.553 1.175 578 HG13 ILE 84 HG11 ILE 84 2.256 -1.735 1.711 579 HG21 ILE 84 HG21 ILE 84 5.773 -1.468 2.880 580 HG22 ILE 84 HG22 ILE 84 4.999 -3.042 2.719 581 HG23 ILE 84 HG23 ILE 84 5.308 -2.372 4.320 582 HD11 ILE 84 HD11 ILE 84 2.350 0.701 2.364 583 HD12 ILE 84 HD12 ILE 84 2.385 0.347 0.637 584 HD13 ILE 84 HD13 ILE 84 3.874 0.775 1.477 585 H ASP 85 HN ASP 85 3.457 -4.650 3.959 586 HA ASP 85 HA ASP 85 3.862 -4.827 6.863 587 HB2 ASP 85 HB2 ASP 85 2.496 -6.584 5.541 588 HB3 ASP 85 HB1 ASP 85 4.034 -7.079 4.861 589 H THR 86 HN THR 86 5.876 -4.344 7.491 590 HA THR 86 HA THR 86 8.012 -4.577 5.569 591 HB THR 86 HB THR 86 9.385 -3.560 7.415 592 HG1 THR 86 HG1 THR 86 8.433 -3.010 9.281 593 HG21 THR 86 HG21 THR 86 8.410 -2.255 5.630 594 HG22 THR 86 HG22 THR 86 8.314 -1.359 7.152 595 HG23 THR 86 HG23 THR 86 6.876 -2.166 6.509 596 H THR 87 HN THR 87 6.718 -6.348 8.205 597 HA THR 87 HA THR 87 8.900 -7.824 9.085 598 HB THR 87 HB THR 87 6.060 -8.807 8.746 599 HG1 THR 87 HG1 THR 87 7.329 -7.177 10.679 600 HG21 THR 87 HG21 THR 87 8.260 -9.684 10.613 601 HG22 THR 87 HG22 THR 87 7.658 -10.589 9.226 602 HG23 THR 87 HG23 THR 87 6.607 -10.296 10.612 603 H ASN 88 HN ASN 88 6.543 -8.714 6.538 604 HA ASN 88 HA ASN 88 8.487 -10.662 5.531 605 HB2 ASN 88 HB2 ASN 88 5.555 -10.297 5.205 606 HB3 ASN 88 HB1 ASN 88 6.441 -11.087 3.903 607 HD21 ASN 88 HD21 ASN 88 7.392 -13.075 4.267 608 HD22 ASN 88 HD22 ASN 88 6.995 -14.058 5.634 609 H HIS 89 HN HIS 89 7.661 -7.497 5.040 610 HA HIS 89 HA HIS 89 8.642 -5.962 3.669 611 HB2 HIS 89 HB2 HIS 89 10.267 -8.256 3.322 612 HB3 HIS 89 HB1 HIS 89 9.967 -7.604 1.715 613 HD1 HIS 89 HD1 HIS 89 12.268 -6.696 1.322 614 HD2 HIS 89 HD2 HIS 89 10.605 -5.296 4.878 615 HE1 HIS 89 HE1 HIS 89 13.769 -4.844 2.100 616 HE2 HIS 89 HE2 HIS 89 12.912 -4.270 4.377 617 H LYS 90 HN LYS 90 6.096 -6.818 3.304 618 HA LYS 90 HA LYS 90 5.709 -7.084 0.399 619 HB2 LYS 90 HB2 LYS 90 4.289 -8.057 2.810 620 HB3 LYS 90 HB1 LYS 90 3.341 -7.797 1.369 621 HG2 LYS 90 HG2 LYS 90 4.835 -9.350 0.159 622 HG3 LYS 90 HG1 LYS 90 5.727 -9.620 1.660 623 HD2 LYS 90 HD2 LYS 90 2.831 -10.262 1.131 624 HD3 LYS 90 HD1 LYS 90 4.148 -11.412 1.356 625 HE2 LYS 90 HE2 LYS 90 4.447 -10.638 3.641 626 HE3 LYS 90 HE1 LYS 90 3.174 -9.445 3.423 627 HZ1 LYS 90 HZ1 LYS 90 1.590 -11.235 3.089 628 HZ2 LYS 90 HZ2 LYS 90 2.372 -11.419 4.578 629 HZ3 LYS 90 HZ3 LYS 90 2.811 -12.390 3.268 630 H LEU 91 HN LEU 91 4.333 -5.761 -0.656 631 HA LEU 91 HA LEU 91 3.243 -3.419 0.716 632 HB2 LEU 91 HB2 LEU 91 4.458 -3.073 -1.374 633 HB3 LEU 91 HB1 LEU 91 3.395 -4.148 -2.209 634 HG LEU 91 HG LEU 91 2.340 -2.338 -2.917 635 HD11 LEU 91 HD11 LEU 91 0.607 -2.864 -1.381 636 HD12 LEU 91 HD12 LEU 91 0.798 -1.111 -1.402 637 HD13 LEU 91 HD13 LEU 91 1.454 -2.056 -0.061 638 HD21 LEU 91 HD21 LEU 91 4.304 -1.037 -2.294 639 HD22 LEU 91 HD22 LEU 91 3.548 -0.690 -0.739 640 HD23 LEU 91 HD23 LEU 91 2.805 -0.118 -2.230 641 H ILE 92 HN ILE 92 1.482 -3.966 1.770 642 HA ILE 92 HA ILE 92 -0.543 -5.679 0.561 643 HB ILE 92 HB ILE 92 0.113 -4.751 3.322 644 HG12 ILE 92 HG12 ILE 92 -0.410 -7.303 3.662 645 HG13 ILE 92 HG11 ILE 92 -0.212 -7.366 1.913 646 HG21 ILE 92 HG21 ILE 92 -1.989 -5.723 4.187 647 HG22 ILE 92 HG22 ILE 92 -2.570 -5.878 2.532 648 HG23 ILE 92 HG23 ILE 92 -2.251 -4.280 3.206 649 HD11 ILE 92 HD11 ILE 92 2.012 -6.514 2.089 650 HD12 ILE 92 HD12 ILE 92 1.826 -7.919 3.140 651 HD13 ILE 92 HD13 ILE 92 1.825 -6.295 3.826 652 H SER 93 HN SER 93 -2.560 -4.915 0.028 653 HA SER 93 HA SER 93 -3.168 -2.148 0.753 654 HB2 SER 93 HB2 SER 93 -4.929 -2.186 -0.840 655 HB3 SER 93 HB1 SER 93 -3.579 -2.998 -1.628 656 HG SER 93 HG SER 93 -5.610 -4.375 -0.210 657 H THR 94 HN THR 94 -4.532 -1.805 2.483 658 HA THR 94 HA THR 94 -5.912 -4.197 3.453 659 HB THR 94 HB THR 94 -5.076 -1.693 4.905 660 HG1 THR 94 HG1 THR 94 -3.973 -4.145 4.499 661 HG21 THR 94 HG21 THR 94 -7.286 -2.525 5.673 662 HG22 THR 94 HG22 THR 94 -6.034 -2.684 6.909 663 HG23 THR 94 HG23 THR 94 -6.552 -4.096 5.986 664 H PHE 95 HN PHE 95 -7.879 -4.251 2.684 665 HA PHE 95 HA PHE 95 -9.411 -1.755 2.466 666 HB2 PHE 95 HB2 PHE 95 -9.244 -3.236 0.438 667 HB3 PHE 95 HB1 PHE 95 -10.098 -4.462 1.357 668 HD1 PHE 95 HD1 PHE 95 -12.420 -4.470 1.558 669 HD2 PHE 95 HD2 PHE 95 -10.445 -1.036 -0.005 670 HE1 PHE 95 HE1 PHE 95 -14.593 -3.508 0.934 671 HE2 PHE 95 HE2 PHE 95 -12.621 -0.072 -0.630 672 HZ PHE 95 HZ PHE 95 -14.695 -1.306 -0.159 673 H THR 96 HN THR 96 -10.271 -1.508 4.494 674 HA THR 96 HA THR 96 -11.316 -3.798 5.857 675 HB THR 96 HB THR 96 -11.968 -1.065 6.809 676 HG1 THR 96 HG1 THR 96 -9.923 -0.496 6.584 677 HG21 THR 96 HG21 THR 96 -12.571 -3.023 8.083 678 HG22 THR 96 HG22 THR 96 -11.322 -2.112 8.931 679 HG23 THR 96 HG23 THR 96 -10.899 -3.581 8.047 680 HA PRO 97 HA PRO 97 -15.041 -3.437 3.348 681 HB2 PRO 97 HB2 PRO 97 -16.283 -5.519 4.718 682 HB3 PRO 97 HB1 PRO 97 -15.318 -5.677 3.252 683 HG2 PRO 97 HG2 PRO 97 -14.603 -6.214 6.072 684 HG3 PRO 97 HG1 PRO 97 -14.019 -6.985 4.589 685 HD2 PRO 97 HD2 PRO 97 -12.563 -5.224 6.003 686 HD3 PRO 97 HD1 PRO 97 -12.406 -5.405 4.254 687 H SER 98 HN SER 98 -17.319 -3.184 3.716 688 HA SER 98 HA SER 98 -17.875 -1.319 5.772 689 HB2 SER 98 HB2 SER 98 -19.883 -2.737 4.017 690 HB3 SER 98 HB1 SER 98 -20.047 -1.154 4.779 691 HG SER 98 HG SER 98 -19.106 -1.684 2.382 692 H ASN 99 HN ASN 99 -17.950 -4.696 5.681 693 HA ASN 99 HA ASN 99 -19.904 -5.018 7.788 694 HB2 ASN 99 HB2 ASN 99 -18.123 -6.838 6.234 695 HB3 ASN 99 HB1 ASN 99 -18.801 -7.395 7.754 696 HD21 ASN 99 HD21 ASN 99 -21.017 -7.749 7.902 697 HD22 ASN 99 HD22 ASN 99 -22.037 -7.818 6.508 698 H GLY 100 HN GLY 100 -16.582 -4.395 7.508 699 HA2 GLY 100 HA2 GLY 100 -15.151 -3.711 9.223 700 HA3 GLY 100 HA1 GLY 100 -16.311 -4.321 10.395 701 H GLY 101 HN GLY 101 -15.837 -6.609 8.060 702 HA2 GLY 101 HA2 GLY 101 -14.412 -8.336 9.852 703 HA3 GLY 101 HA1 GLY 101 -14.997 -8.747 8.247 704 H GLN 102 HN GLN 102 -12.911 -9.891 8.176 705 HA GLN 102 HA GLN 102 -10.412 -8.694 8.237 706 HB2 GLN 102 HB2 GLN 102 -11.432 -11.008 6.597 707 HB3 GLN 102 HB1 GLN 102 -9.739 -10.534 6.633 708 HG2 GLN 102 HG2 GLN 102 -9.666 -10.928 9.026 709 HG3 GLN 102 HG1 GLN 102 -11.372 -11.377 9.016 710 HE21 GLN 102 HE21 GLN 102 -9.029 -12.933 9.805 711 HE22 GLN 102 HE22 GLN 102 -9.049 -14.350 8.817 712 H ALA 103 HN ALA 103 -9.206 -7.551 6.886 713 HA ALA 103 HA ALA 103 -10.556 -6.114 4.779 714 HB1 ALA 103 HB1 ALA 103 -8.498 -4.833 4.617 715 HB2 ALA 103 HB2 ALA 103 -7.703 -5.951 5.739 716 HB3 ALA 103 HB3 ALA 103 -9.058 -4.955 6.292 717 H THR 104 HN THR 104 -9.754 -5.793 2.772 718 HA THR 104 HA THR 104 -8.995 -8.274 1.455 719 HB THR 104 HB THR 104 -10.709 -6.005 0.926 720 HG1 THR 104 HG1 THR 104 -10.539 -8.537 -0.364 721 HG21 THR 104 HG21 THR 104 -8.742 -6.795 -1.166 722 HG22 THR 104 HG22 THR 104 -9.291 -5.180 -0.695 723 HG23 THR 104 HG23 THR 104 -10.360 -6.254 -1.595 724 H VAL 105 HN VAL 105 -7.208 -8.412 0.032 725 HA VAL 105 HA VAL 105 -5.313 -6.183 0.309 726 HB VAL 105 HB VAL 105 -4.694 -9.086 0.846 727 HG11 VAL 105 HG11 VAL 105 -2.795 -8.098 -0.195 728 HG12 VAL 105 HG12 VAL 105 -2.463 -8.201 1.534 729 HG13 VAL 105 HG13 VAL 105 -2.920 -6.660 0.812 730 HG21 VAL 105 HG21 VAL 105 -4.299 -8.403 3.134 731 HG22 VAL 105 HG22 VAL 105 -5.941 -7.945 2.657 732 HG23 VAL 105 HG23 VAL 105 -4.664 -6.727 2.724 733 H LEU 106 HN LEU 106 -4.405 -5.583 -1.473 734 HA LEU 106 HA LEU 106 -3.745 -7.493 -3.612 735 HB2 LEU 106 HB2 LEU 106 -4.187 -4.563 -3.456 736 HB3 LEU 106 HB1 LEU 106 -2.911 -5.092 -4.538 737 HG LEU 106 HG LEU 106 -4.908 -4.757 -5.791 738 HD11 LEU 106 HD11 LEU 106 -5.202 -6.942 -6.813 739 HD12 LEU 106 HD12 LEU 106 -4.472 -7.721 -5.410 740 HD13 LEU 106 HD13 LEU 106 -3.503 -6.660 -6.432 741 HD21 LEU 106 HD21 LEU 106 -6.994 -5.921 -5.323 742 HD22 LEU 106 HD22 LEU 106 -6.496 -4.999 -3.904 743 HD23 LEU 106 HD23 LEU 106 -6.258 -6.745 -3.949 744 H THR 107 HN THR 107 -1.785 -8.422 -3.242 745 HA THR 107 HA THR 107 0.124 -6.914 -1.607 746 HB THR 107 HB THR 107 0.247 -9.848 -2.241 747 HG1 THR 107 HG1 THR 107 -1.684 -9.543 -1.163 748 HG21 THR 107 HG21 THR 107 2.297 -8.716 -1.359 749 HG22 THR 107 HG22 THR 107 1.670 -9.986 -0.312 750 HG23 THR 107 HG23 THR 107 1.382 -8.292 0.093 751 H TYR 108 HN TYR 108 2.202 -6.647 -2.121 752 HA TYR 108 HA TYR 108 3.315 -7.838 -4.554 753 HB2 TYR 108 HB2 TYR 108 3.093 -5.710 -5.434 754 HB3 TYR 108 HB1 TYR 108 3.125 -4.944 -3.858 755 HD1 TYR 108 HD1 TYR 108 5.143 -4.116 -2.937 756 HD2 TYR 108 HD2 TYR 108 5.245 -6.396 -6.519 757 HE1 TYR 108 HE1 TYR 108 7.463 -3.415 -3.292 758 HE2 TYR 108 HE2 TYR 108 7.579 -5.722 -6.889 759 HH TYR 108 HH TYR 108 9.444 -4.156 -4.483 760 H ASP 109 HN ASP 109 5.527 -8.400 -4.303 761 HA ASP 109 HA ASP 109 6.517 -8.074 -1.545 762 HB2 ASP 109 HB2 ASP 109 6.033 -10.441 -2.660 763 HB3 ASP 109 HB1 ASP 109 7.631 -10.175 -3.340 764 H TRP 110 HN TRP 110 8.129 -6.682 -1.370 765 HA TRP 110 HA TRP 110 9.501 -5.675 -3.658 766 HB2 TRP 110 HB2 TRP 110 9.307 -4.033 -2.056 767 HB3 TRP 110 HB1 TRP 110 9.568 -5.141 -0.720 768 HD1 TRP 110 HD1 TRP 110 11.981 -5.319 0.233 769 HE1 TRP 110 HE1 TRP 110 14.212 -4.141 -0.274 770 HE3 TRP 110 HE3 TRP 110 10.699 -3.017 -4.136 771 HZ2 TRP 110 HZ2 TRP 110 15.282 -2.457 -2.264 772 HZ3 TRP 110 HZ3 TRP 110 12.385 -1.637 -5.281 773 HH2 TRP 110 HH2 TRP 110 14.629 -1.366 -4.362 774 H SER 111 HN SER 111 10.248 -8.008 -1.161 775 HA SER 111 HA SER 111 12.942 -8.346 -2.204 776 HB2 SER 111 HB2 SER 111 11.528 -9.280 0.258 777 HB3 SER 111 HB1 SER 111 13.106 -9.879 -0.192 778 HG SER 111 HG SER 111 13.905 -7.770 -0.066 779 H ALA 112 HN ALA 112 9.867 -9.801 -2.145 780 HA ALA 112 HA ALA 112 8.951 -11.634 -3.061 781 HB1 ALA 112 HB1 ALA 112 9.862 -10.665 -5.053 782 HB2 ALA 112 HB2 ALA 112 9.939 -12.427 -5.135 783 HB3 ALA 112 HB3 ALA 112 11.393 -11.489 -4.785 784 H ASN 113 HN ASN 113 9.908 -12.205 -0.795 785 HA ASN 113 HA ASN 113 11.878 -14.313 -0.850 786 HB2 ASN 113 HB2 ASN 113 11.427 -14.410 1.636 787 HB3 ASN 113 HB1 ASN 113 12.017 -12.864 1.043 788 HD21 ASN 113 HD21 ASN 113 10.611 -11.099 0.974 789 HD22 ASN 113 HD22 ASN 113 9.138 -11.063 1.879 790 H GLY 114 HN GLY 114 9.945 -15.087 -2.452 791 HA2 GLY 114 HA2 GLY 114 7.993 -16.742 -1.141 792 HA3 GLY 114 HA1 GLY 114 8.372 -16.718 -2.858 793 H VAL 115 HN VAL 115 9.544 -17.842 0.265 794 HA VAL 115 HA VAL 115 11.005 -19.986 -1.113 795 HB VAL 115 HB VAL 115 12.531 -18.367 -0.037 796 HG11 VAL 115 HG11 VAL 115 11.149 -19.145 2.525 797 HG12 VAL 115 HG12 VAL 115 11.068 -17.573 1.731 798 HG13 VAL 115 HG13 VAL 115 12.597 -18.147 2.394 799 HG21 VAL 115 HG21 VAL 115 13.322 -20.612 -0.190 800 HG22 VAL 115 HG22 VAL 115 12.403 -21.096 1.235 801 HG23 VAL 115 HG23 VAL 115 13.773 -19.994 1.399 802 H ASN 116 HN ASN 116 11.058 -22.022 0.027 803 HA ASN 116 HA ASN 116 8.471 -22.501 1.213 804 HB2 ASN 116 HB2 ASN 116 9.542 -23.938 -0.591 805 HB3 ASN 116 HB1 ASN 116 10.640 -24.528 0.649 806 HD21 ASN 116 HD21 ASN 116 9.942 -26.623 0.536 807 HD22 ASN 116 HD22 ASN 116 8.381 -27.132 1.081 808 H SER 117 HN SER 117 9.832 -20.993 2.937 809 HA SER 117 HA SER 117 10.572 -20.780 5.072 810 HB2 SER 117 HB2 SER 117 8.433 -22.105 5.376 811 HB3 SER 117 HB1 SER 117 9.432 -23.550 5.496 812 HG SER 117 HG SER 117 9.933 -23.024 7.462 813 H ASN 118 HN ASN 118 12.597 -21.456 3.439 814 HA ASN 118 HA ASN 118 14.010 -23.727 4.610 815 HB2 ASN 118 HB2 ASN 118 14.659 -22.009 2.207 816 HB3 ASN 118 HB1 ASN 118 15.659 -23.341 2.776 817 HD21 ASN 118 HD21 ASN 118 14.916 -25.456 2.539 818 HD22 ASN 118 HD22 ASN 118 13.635 -25.857 1.448 Start of MODEL 10 1 H1 HIS 6 HT1 HIS 6 -21.599 -6.596 -6.187 2 H2 HIS 6 HT2 HIS 6 -20.954 -5.272 -5.368 3 H3 HIS 6 HT3 HIS 6 -20.145 -6.755 -5.341 4 HA HIS 6 HA HIS 6 -19.783 -6.631 -7.711 5 HB2 HIS 6 HB2 HIS 6 -20.205 -4.505 -8.894 6 HB3 HIS 6 HB1 HIS 6 -21.689 -5.263 -8.339 7 HD1 HIS 6 HD1 HIS 6 -23.269 -3.776 -7.144 8 HD2 HIS 6 HD2 HIS 6 -19.394 -2.265 -7.119 9 HE1 HIS 6 HE1 HIS 6 -23.436 -1.494 -6.102 10 HE2 HIS 6 HE2 HIS 6 -21.065 -0.656 -5.976 11 H GLN 7 HN GLN 7 -19.141 -4.886 -4.865 12 HA GLN 7 HA GLN 7 -16.839 -3.509 -5.920 13 HB2 GLN 7 HB2 GLN 7 -17.948 -2.388 -4.143 14 HB3 GLN 7 HB1 GLN 7 -17.891 -3.827 -3.138 15 HG2 GLN 7 HG2 GLN 7 -15.514 -3.663 -2.891 16 HG3 GLN 7 HG1 GLN 7 -15.447 -2.325 -4.044 17 HE21 GLN 7 HE21 GLN 7 -16.160 -0.296 -3.418 18 HE22 GLN 7 HE22 GLN 7 -16.388 0.126 -1.758 19 H ASP 8 HN ASP 8 -17.490 -6.531 -4.306 20 HA ASP 8 HA ASP 8 -14.955 -7.018 -3.256 21 HB2 ASP 8 HB2 ASP 8 -16.847 -8.418 -2.697 22 HB3 ASP 8 HB1 ASP 8 -16.975 -8.973 -4.360 23 H ASN 9 HN ASN 9 -16.214 -7.435 -6.496 24 HA ASN 9 HA ASN 9 -13.719 -8.396 -7.571 25 HB2 ASN 9 HB2 ASN 9 -16.256 -7.364 -8.827 26 HB3 ASN 9 HB1 ASN 9 -14.841 -7.794 -9.781 27 HD21 ASN 9 HD21 ASN 9 -14.276 -9.947 -10.012 28 HD22 ASN 9 HD22 ASN 9 -15.332 -11.236 -9.551 29 H ALA 10 HN ALA 10 -15.379 -5.338 -7.232 30 HA ALA 10 HA ALA 10 -13.853 -3.807 -9.031 31 HB1 ALA 10 HB1 ALA 10 -14.731 -1.868 -7.922 32 HB2 ALA 10 HB2 ALA 10 -15.225 -2.844 -6.535 33 HB3 ALA 10 HB3 ALA 10 -16.009 -3.078 -8.101 34 H ARG 11 HN ARG 11 -13.531 -4.322 -5.546 35 HA ARG 11 HA ARG 11 -11.560 -2.489 -4.932 36 HB2 ARG 11 HB2 ARG 11 -11.733 -5.310 -3.911 37 HB3 ARG 11 HB1 ARG 11 -10.866 -3.982 -3.144 38 HG2 ARG 11 HG2 ARG 11 -12.828 -2.942 -2.472 39 HG3 ARG 11 HG1 ARG 11 -13.814 -3.862 -3.617 40 HD2 ARG 11 HD2 ARG 11 -13.230 -5.924 -2.387 41 HD3 ARG 11 HD1 ARG 11 -12.384 -4.939 -1.197 42 HE ARG 11 HE ARG 11 -14.909 -3.906 -1.249 43 HH11 ARG 11 HH11 ARG 11 -13.498 -7.057 -0.684 44 HH12 ARG 11 HH12 ARG 11 -14.784 -7.593 0.348 45 HH21 ARG 11 HH21 ARG 11 -16.595 -4.592 0.151 46 HH22 ARG 11 HH22 ARG 11 -16.549 -6.192 0.819 47 H LYS 12 HN LYS 12 -11.174 -5.831 -5.936 48 HA LYS 12 HA LYS 12 -8.489 -6.115 -6.183 49 HB2 LYS 12 HB2 LYS 12 -10.213 -7.819 -6.740 50 HB3 LYS 12 HB1 LYS 12 -10.478 -6.987 -8.272 51 HG2 LYS 12 HG2 LYS 12 -9.063 -8.727 -8.805 52 HG3 LYS 12 HG1 LYS 12 -7.971 -7.356 -8.641 53 HD2 LYS 12 HD2 LYS 12 -7.574 -8.089 -6.274 54 HD3 LYS 12 HD1 LYS 12 -8.477 -9.559 -6.651 55 HE2 LYS 12 HE2 LYS 12 -6.900 -10.028 -8.475 56 HE3 LYS 12 HE1 LYS 12 -6.002 -8.582 -8.024 57 HZ1 LYS 12 HZ1 LYS 12 -4.994 -10.584 -7.115 58 HZ2 LYS 12 HZ2 LYS 12 -6.420 -10.951 -6.287 59 HZ3 LYS 12 HZ3 LYS 12 -5.537 -9.571 -5.875 60 H SER 13 HN SER 13 -10.630 -4.464 -8.465 61 HA SER 13 HA SER 13 -8.437 -3.937 -10.289 62 HB2 SER 13 HB2 SER 13 -11.367 -3.187 -10.340 63 HB3 SER 13 HB1 SER 13 -10.230 -2.859 -11.652 64 HG SER 13 HG SER 13 -9.844 -5.270 -11.467 65 H ARG 14 HN ARG 14 -10.627 -2.074 -8.212 66 HA ARG 14 HA ARG 14 -9.683 0.471 -8.976 67 HB2 ARG 14 HB2 ARG 14 -10.885 1.301 -6.999 68 HB3 ARG 14 HB1 ARG 14 -11.873 0.194 -7.946 69 HG2 ARG 14 HG2 ARG 14 -12.245 -1.003 -6.128 70 HG3 ARG 14 HG1 ARG 14 -10.515 -1.349 -6.043 71 HD2 ARG 14 HD2 ARG 14 -11.823 -0.231 -4.043 72 HD3 ARG 14 HD1 ARG 14 -10.146 0.164 -4.394 73 HE ARG 14 HE ARG 14 -11.114 2.133 -5.656 74 HH11 ARG 14 HH11 ARG 14 -12.838 0.690 -2.962 75 HH12 ARG 14 HH12 ARG 14 -13.639 2.164 -2.531 76 HH21 ARG 14 HH21 ARG 14 -12.176 4.049 -5.100 77 HH22 ARG 14 HH22 ARG 14 -13.280 4.069 -3.759 78 H ILE 15 HN ILE 15 -8.694 -1.765 -6.440 79 HA ILE 15 HA ILE 15 -6.914 0.125 -5.226 80 HB ILE 15 HB ILE 15 -7.144 -2.862 -4.971 81 HG12 ILE 15 HG12 ILE 15 -8.049 -0.666 -3.087 82 HG13 ILE 15 HG11 ILE 15 -9.107 -1.506 -4.216 83 HG21 ILE 15 HG21 ILE 15 -4.891 -2.038 -4.398 84 HG22 ILE 15 HG22 ILE 15 -5.747 -2.649 -2.979 85 HG23 ILE 15 HG23 ILE 15 -5.607 -0.909 -3.246 86 HD11 ILE 15 HD11 ILE 15 -7.663 -2.662 -1.858 87 HD12 ILE 15 HD12 ILE 15 -8.495 -3.629 -3.083 88 HD13 ILE 15 HD13 ILE 15 -9.405 -2.482 -2.090 89 H GLN 16 HN GLN 16 -6.734 -2.650 -7.355 90 HA GLN 16 HA GLN 16 -4.125 -3.148 -7.745 91 HB2 GLN 16 HB2 GLN 16 -6.377 -3.842 -8.963 92 HB3 GLN 16 HB1 GLN 16 -5.702 -2.790 -10.201 93 HG2 GLN 16 HG2 GLN 16 -3.610 -4.139 -10.101 94 HG3 GLN 16 HG1 GLN 16 -4.463 -5.250 -9.030 95 HE21 GLN 16 HE21 GLN 16 -4.205 -4.020 -12.266 96 HE22 GLN 16 HE22 GLN 16 -5.158 -5.248 -13.025 97 H SER 17 HN SER 17 -5.904 -0.536 -9.375 98 HA SER 17 HA SER 17 -3.905 0.472 -10.988 99 HB2 SER 17 HB2 SER 17 -5.930 2.140 -9.484 100 HB3 SER 17 HB1 SER 17 -5.154 2.537 -11.018 101 HG SER 17 HG SER 17 -6.201 0.358 -11.630 102 H GLU 18 HN GLU 18 -4.758 1.622 -7.749 103 HA GLU 18 HA GLU 18 -2.471 3.282 -7.472 104 HB2 GLU 18 HB2 GLU 18 -4.403 2.181 -5.435 105 HB3 GLU 18 HB1 GLU 18 -3.201 3.429 -5.123 106 HG2 GLU 18 HG2 GLU 18 -5.315 3.666 -7.225 107 HG3 GLU 18 HG1 GLU 18 -5.502 4.277 -5.581 108 H HIS 19 HN HIS 19 -3.236 -0.020 -6.456 109 HA HIS 19 HA HIS 19 -1.228 -0.578 -4.675 110 HB2 HIS 19 HB2 HIS 19 -2.686 -2.342 -4.943 111 HB3 HIS 19 HB1 HIS 19 -2.696 -2.236 -6.694 112 HD1 HIS 19 HD1 HIS 19 -0.103 -3.201 -4.034 113 HD2 HIS 19 HD2 HIS 19 -1.472 -4.349 -7.781 114 HE1 HIS 19 HE1 HIS 19 1.241 -5.228 -4.648 115 HE2 HIS 19 HE2 HIS 19 0.321 -5.973 -6.869 116 H ARG 20 HN ARG 20 -0.950 -1.014 -8.214 117 HA ARG 20 HA ARG 20 1.747 -1.718 -8.258 118 HB2 ARG 20 HB2 ARG 20 0.272 -0.079 -10.328 119 HB3 ARG 20 HB1 ARG 20 1.720 -1.041 -10.593 120 HG2 ARG 20 HG2 ARG 20 -0.275 -2.714 -9.452 121 HG3 ARG 20 HG1 ARG 20 -0.982 -1.833 -10.808 122 HD2 ARG 20 HD2 ARG 20 -0.017 -3.938 -11.545 123 HD3 ARG 20 HD1 ARG 20 0.842 -2.570 -12.241 124 HE ARG 20 HE ARG 20 2.353 -3.098 -10.109 125 HH11 ARG 20 HH11 ARG 20 0.960 -5.265 -12.480 126 HH12 ARG 20 HH12 ARG 20 2.296 -6.368 -12.441 127 HH21 ARG 20 HH21 ARG 20 4.104 -4.538 -10.049 128 HH22 ARG 20 HH22 ARG 20 4.096 -5.951 -11.058 129 H GLU 21 HN GLU 21 0.235 1.488 -8.374 130 HA GLU 21 HA GLU 21 2.519 3.058 -8.624 131 HB2 GLU 21 HB2 GLU 21 0.111 3.746 -6.947 132 HB3 GLU 21 HB1 GLU 21 1.203 4.859 -7.747 133 HG2 GLU 21 HG2 GLU 21 -0.701 2.983 -9.096 134 HG3 GLU 21 HG1 GLU 21 -0.954 4.717 -8.872 135 H LEU 22 HN LEU 22 0.862 1.975 -5.646 136 HA LEU 22 HA LEU 22 2.520 3.355 -3.863 137 HB2 LEU 22 HB2 LEU 22 0.697 1.011 -3.532 138 HB3 LEU 22 HB1 LEU 22 1.747 1.489 -2.214 139 HG LEU 22 HG LEU 22 -0.303 2.529 -1.743 140 HD11 LEU 22 HD11 LEU 22 0.152 4.897 -1.927 141 HD12 LEU 22 HD12 LEU 22 1.312 4.616 -3.221 142 HD13 LEU 22 HD13 LEU 22 1.654 4.039 -1.588 143 HD21 LEU 22 HD21 LEU 22 -1.361 4.031 -3.515 144 HD22 LEU 22 HD22 LEU 22 -1.557 2.286 -3.679 145 HD23 LEU 22 HD23 LEU 22 -0.377 3.142 -4.673 146 H VAL 23 HN VAL 23 2.894 0.130 -5.263 147 HA VAL 23 HA VAL 23 5.151 -0.377 -3.556 148 HB VAL 23 HB VAL 23 4.808 -2.467 -4.037 149 HG11 VAL 23 HG11 VAL 23 2.463 -1.736 -4.465 150 HG12 VAL 23 HG12 VAL 23 2.925 -3.234 -5.276 151 HG13 VAL 23 HG13 VAL 23 2.847 -1.727 -6.186 152 HG21 VAL 23 HG21 VAL 23 5.245 -3.404 -6.237 153 HG22 VAL 23 HG22 VAL 23 6.483 -2.242 -5.732 154 HG23 VAL 23 HG23 VAL 23 5.245 -1.773 -6.913 155 H SER 24 HN SER 24 4.606 0.686 -6.872 156 HA SER 24 HA SER 24 7.278 0.863 -7.683 157 HB2 SER 24 HB2 SER 24 5.253 1.373 -9.109 158 HB3 SER 24 HB1 SER 24 5.115 2.911 -8.254 159 HG SER 24 HG SER 24 7.181 3.462 -9.039 160 H ALA 25 HN ALA 25 5.349 2.690 -5.469 161 HA ALA 25 HA ALA 25 7.275 4.826 -5.100 162 HB1 ALA 25 HB1 ALA 25 4.956 4.117 -3.316 163 HB2 ALA 25 HB2 ALA 25 4.785 5.097 -4.777 164 HB3 ALA 25 HB3 ALA 25 5.791 5.668 -3.434 165 H ILE 26 HN ILE 26 6.371 1.796 -3.440 166 HA ILE 26 HA ILE 26 7.978 2.143 -1.200 167 HB ILE 26 HB ILE 26 6.745 -0.186 -2.533 168 HG12 ILE 26 HG12 ILE 26 7.218 0.715 0.295 169 HG13 ILE 26 HG11 ILE 26 5.712 0.783 -0.618 170 HG21 ILE 26 HG21 ILE 26 9.075 -0.966 -2.513 171 HG22 ILE 26 HG22 ILE 26 8.065 -1.871 -1.380 172 HG23 ILE 26 HG23 ILE 26 9.160 -0.625 -0.783 173 HD11 ILE 26 HD11 ILE 26 5.691 -1.012 1.012 174 HD12 ILE 26 HD12 ILE 26 7.129 -1.712 0.261 175 HD13 ILE 26 HD13 ILE 26 5.617 -1.632 -0.644 176 H GLN 27 HN GLN 27 8.701 0.766 -4.353 177 HA GLN 27 HA GLN 27 11.380 0.125 -3.883 178 HB2 GLN 27 HB2 GLN 27 10.003 0.900 -6.465 179 HB3 GLN 27 HB1 GLN 27 11.552 0.067 -6.346 180 HG2 GLN 27 HG2 GLN 27 10.427 -1.810 -5.243 181 HG3 GLN 27 HG1 GLN 27 8.898 -0.959 -5.375 182 HE21 GLN 27 HE21 GLN 27 7.880 -0.812 -7.338 183 HE22 GLN 27 HE22 GLN 27 8.336 -1.764 -8.706 184 H SER 28 HN SER 28 9.815 3.100 -4.862 185 HA SER 28 HA SER 28 12.182 4.595 -5.348 186 HB2 SER 28 HB2 SER 28 9.324 5.381 -4.778 187 HB3 SER 28 HB1 SER 28 10.572 6.528 -5.230 188 HG SER 28 HG SER 28 10.463 4.376 -6.906 189 H TYR 29 HN TYR 29 9.859 4.608 -2.642 190 HA TYR 29 HA TYR 29 11.093 6.294 -0.849 191 HB2 TYR 29 HB2 TYR 29 8.852 5.247 -0.615 192 HB3 TYR 29 HB1 TYR 29 9.619 3.708 -0.273 193 HD1 TYR 29 HD1 TYR 29 7.559 4.804 1.586 194 HD2 TYR 29 HD2 TYR 29 11.763 5.479 1.421 195 HE1 TYR 29 HE1 TYR 29 7.572 5.402 3.967 196 HE2 TYR 29 HE2 TYR 29 11.773 6.078 3.808 197 HH TYR 29 HH TYR 29 9.130 5.478 5.852 198 H ILE 30 HN ILE 30 11.447 2.778 -1.068 199 HA ILE 30 HA ILE 30 13.345 2.524 0.970 200 HB ILE 30 HB ILE 30 12.638 0.754 -1.353 201 HG12 ILE 30 HG12 ILE 30 11.869 0.797 1.570 202 HG13 ILE 30 HG11 ILE 30 10.838 1.187 0.204 203 HG21 ILE 30 HG21 ILE 30 14.843 0.131 -0.723 204 HG22 ILE 30 HG22 ILE 30 13.736 -1.059 -0.031 205 HG23 ILE 30 HG23 ILE 30 14.437 0.198 0.989 206 HD11 ILE 30 HD11 ILE 30 11.055 -1.148 -0.559 207 HD12 ILE 30 HD12 ILE 30 10.263 -0.967 1.008 208 HD13 ILE 30 HD13 ILE 30 11.944 -1.507 0.924 209 H GLY 31 HN GLY 31 13.726 3.004 -2.510 210 HA2 GLY 31 HA2 GLY 31 16.552 2.588 -2.511 211 HA3 GLY 31 HA1 GLY 31 15.616 3.353 -3.789 212 H ALA 32 HN ALA 32 14.583 5.105 -1.435 213 HA ALA 32 HA ALA 32 16.646 7.156 -1.699 214 HB1 ALA 32 HB1 ALA 32 13.922 7.420 -0.467 215 HB2 ALA 32 HB2 ALA 32 14.219 7.600 -2.198 216 HB3 ALA 32 HB3 ALA 32 14.976 8.711 -1.051 217 H GLN 33 HN GLN 33 15.333 4.947 0.568 218 HA GLN 33 HA GLN 33 15.580 6.304 2.946 219 HB2 GLN 33 HB2 GLN 33 15.636 3.428 2.207 220 HB3 GLN 33 HB1 GLN 33 15.865 3.934 3.877 221 HG2 GLN 33 HG2 GLN 33 13.615 5.105 2.391 222 HG3 GLN 33 HG1 GLN 33 13.492 3.429 2.872 223 HE21 GLN 33 HE21 GLN 33 13.727 6.716 3.949 224 HE22 GLN 33 HE22 GLN 33 13.279 6.428 5.596 225 H ASP 34 HN ASP 34 17.019 6.075 4.656 226 HA ASP 34 HA ASP 34 19.699 6.559 4.118 227 HB2 ASP 34 HB2 ASP 34 18.425 7.140 6.196 228 HB3 ASP 34 HB1 ASP 34 18.566 5.456 6.676 229 H ASP 35 HN ASP 35 17.977 3.669 4.836 230 HA ASP 35 HA ASP 35 20.125 2.143 3.599 231 HB2 ASP 35 HB2 ASP 35 18.846 1.170 6.173 232 HB3 ASP 35 HB1 ASP 35 19.947 0.260 5.163 233 HA PRO 36 HA PRO 36 16.309 0.870 1.584 234 HB2 PRO 36 HB2 PRO 36 17.464 -0.218 -0.539 235 HB3 PRO 36 HB1 PRO 36 17.501 1.529 -0.311 236 HG2 PRO 36 HG2 PRO 36 19.603 -0.469 0.472 237 HG3 PRO 36 HG1 PRO 36 19.799 0.955 -0.564 238 HD2 PRO 36 HD2 PRO 36 20.397 1.106 2.017 239 HD3 PRO 36 HD1 PRO 36 19.532 2.440 1.224 240 H THR 37 HN THR 37 18.719 -0.731 3.071 241 HA THR 37 HA THR 37 18.210 -3.394 2.206 242 HB THR 37 HB THR 37 19.974 -4.004 3.708 243 HG1 THR 37 HG1 THR 37 20.593 -2.694 5.400 244 HG21 THR 37 HG21 THR 37 21.735 -2.417 3.107 245 HG22 THR 37 HG22 THR 37 20.516 -1.211 2.682 246 HG23 THR 37 HG23 THR 37 20.666 -2.692 1.730 247 H ASN 38 HN ASN 38 17.271 -1.374 4.833 248 HA ASN 38 HA ASN 38 15.077 -3.112 5.466 249 HB2 ASN 38 HB2 ASN 38 17.072 -3.982 6.733 250 HB3 ASN 38 HB1 ASN 38 17.057 -2.476 7.649 251 HD21 ASN 38 HD21 ASN 38 15.472 -5.505 7.071 252 HD22 ASN 38 HD22 ASN 38 14.378 -5.428 8.410 253 HA PRO 39 HA PRO 39 14.520 1.551 5.870 254 HB2 PRO 39 HB2 PRO 39 12.146 1.438 4.455 255 HB3 PRO 39 HB1 PRO 39 13.720 1.883 3.798 256 HG2 PRO 39 HG2 PRO 39 12.294 -0.725 3.664 257 HG3 PRO 39 HG1 PRO 39 13.305 0.070 2.462 258 HD2 PRO 39 HD2 PRO 39 14.191 -1.981 3.903 259 HD3 PRO 39 HD1 PRO 39 15.252 -0.660 3.409 260 H SER 40 HN SER 40 12.439 2.659 6.517 261 HA SER 40 HA SER 40 11.406 1.447 8.881 262 HB2 SER 40 HB2 SER 40 10.583 3.975 7.435 263 HB3 SER 40 HB1 SER 40 10.063 3.520 9.055 264 HG SER 40 HG SER 40 12.347 3.486 9.608 265 H GLU 41 HN GLU 41 8.884 1.806 9.207 266 HA GLU 41 HA GLU 41 7.512 0.073 7.406 267 HB2 GLU 41 HB2 GLU 41 6.676 -0.103 9.559 268 HB3 GLU 41 HB1 GLU 41 6.810 1.620 9.864 269 HG2 GLU 41 HG2 GLU 41 4.919 2.043 8.461 270 HG3 GLU 41 HG1 GLU 41 4.759 0.329 8.091 271 H ILE 42 HN ILE 42 6.271 0.556 5.751 272 HA ILE 42 HA ILE 42 6.435 3.321 4.862 273 HB ILE 42 HB ILE 42 6.284 0.696 3.430 274 HG12 ILE 42 HG12 ILE 42 8.297 2.915 3.713 275 HG13 ILE 42 HG11 ILE 42 8.475 1.216 4.132 276 HG21 ILE 42 HG21 ILE 42 4.810 2.248 2.293 277 HG22 ILE 42 HG22 ILE 42 6.259 1.938 1.341 278 HG23 ILE 42 HG23 ILE 42 6.099 3.447 2.235 279 HD11 ILE 42 HD11 ILE 42 8.246 2.327 1.364 280 HD12 ILE 42 HD12 ILE 42 8.462 0.626 1.789 281 HD13 ILE 42 HD13 ILE 42 9.732 1.796 2.151 282 H THR 43 HN THR 43 4.658 4.487 4.398 283 HA THR 43 HA THR 43 2.086 3.094 4.194 284 HB THR 43 HB THR 43 0.982 4.859 5.507 285 HG1 THR 43 HG1 THR 43 2.439 6.199 6.814 286 HG21 THR 43 HG21 THR 43 1.782 4.155 7.726 287 HG22 THR 43 HG22 THR 43 3.228 3.466 6.981 288 HG23 THR 43 HG23 THR 43 1.640 2.782 6.625 289 H LEU 44 HN LEU 44 0.357 4.640 3.437 290 HA LEU 44 HA LEU 44 1.130 5.576 0.907 291 HB2 LEU 44 HB2 LEU 44 -1.378 6.238 2.393 292 HB3 LEU 44 HB1 LEU 44 -1.134 6.268 0.675 293 HG LEU 44 HG LEU 44 -1.342 3.908 2.464 294 HD11 LEU 44 HD11 LEU 44 -3.250 5.186 1.117 295 HD12 LEU 44 HD12 LEU 44 -3.277 3.460 1.466 296 HD13 LEU 44 HD13 LEU 44 -2.724 4.029 -0.110 297 HD21 LEU 44 HD21 LEU 44 -0.060 4.125 -0.215 298 HD22 LEU 44 HD22 LEU 44 -0.868 2.641 0.261 299 HD23 LEU 44 HD23 LEU 44 0.486 3.246 1.211 300 H ALA 45 HN ALA 45 0.502 7.109 3.934 301 HA ALA 45 HA ALA 45 0.584 9.791 3.069 302 HB1 ALA 45 HB1 ALA 45 1.078 8.552 5.775 303 HB2 ALA 45 HB2 ALA 45 -0.478 9.140 5.140 304 HB3 ALA 45 HB3 ALA 45 0.836 10.279 5.476 305 H LYS 46 HN LYS 46 3.021 7.451 3.807 306 HA LYS 46 HA LYS 46 5.205 9.352 3.864 307 HB2 LYS 46 HB2 LYS 46 5.060 6.367 3.931 308 HB3 LYS 46 HB1 LYS 46 6.557 7.254 3.987 309 HG2 LYS 46 HG2 LYS 46 5.940 8.251 6.083 310 HG3 LYS 46 HG1 LYS 46 4.348 7.488 5.999 311 HD2 LYS 46 HD2 LYS 46 5.574 5.275 5.880 312 HD3 LYS 46 HD1 LYS 46 7.028 6.171 6.335 313 HE2 LYS 46 HE2 LYS 46 4.459 6.119 7.895 314 HE3 LYS 46 HE1 LYS 46 5.878 5.115 8.239 315 HZ1 LYS 46 HZ1 LYS 46 5.839 8.083 8.272 316 HZ2 LYS 46 HZ2 LYS 46 7.154 7.100 8.665 317 HZ3 LYS 46 HZ3 LYS 46 5.777 7.097 9.643 318 H LEU 47 HN LEU 47 3.723 7.046 1.706 319 HA LEU 47 HA LEU 47 5.838 6.994 -0.179 320 HB2 LEU 47 HB2 LEU 47 3.008 6.016 -0.150 321 HB3 LEU 47 HB1 LEU 47 3.994 5.896 -1.598 322 HG LEU 47 HG LEU 47 4.656 4.671 1.078 323 HD11 LEU 47 HD11 LEU 47 4.199 2.539 -0.041 324 HD12 LEU 47 HD12 LEU 47 3.651 3.418 -1.469 325 HD13 LEU 47 HD13 LEU 47 2.768 3.566 0.052 326 HD21 LEU 47 HD21 LEU 47 6.019 4.422 -1.598 327 HD22 LEU 47 HD22 LEU 47 6.440 3.529 -0.138 328 HD23 LEU 47 HD23 LEU 47 6.643 5.279 -0.192 329 H ALA 48 HN ALA 48 3.567 9.307 0.504 330 HA ALA 48 HA ALA 48 2.500 10.259 -1.795 331 HB1 ALA 48 HB1 ALA 48 2.243 12.334 -0.759 332 HB2 ALA 48 HB2 ALA 48 3.708 12.143 0.195 333 HB3 ALA 48 HB3 ALA 48 2.284 11.170 0.566 334 HA PRO 49 HA PRO 49 6.361 12.964 -2.872 335 HB2 PRO 49 HB2 PRO 49 8.550 11.654 -1.389 336 HB3 PRO 49 HB1 PRO 49 8.162 13.361 -1.537 337 HG2 PRO 49 HG2 PRO 49 7.734 12.123 0.754 338 HG3 PRO 49 HG1 PRO 49 6.521 13.262 0.126 339 HD2 PRO 49 HD2 PRO 49 6.588 10.275 -0.125 340 HD3 PRO 49 HD1 PRO 49 5.269 11.299 0.470 341 H TYR 50 HN TYR 50 6.388 9.578 -2.563 342 HA TYR 50 HA TYR 50 8.433 9.221 -4.627 343 HB2 TYR 50 HB2 TYR 50 7.129 7.149 -2.863 344 HB3 TYR 50 HB1 TYR 50 8.540 6.924 -3.892 345 HD1 TYR 50 HD1 TYR 50 10.594 8.354 -3.383 346 HD2 TYR 50 HD2 TYR 50 7.407 7.806 -0.635 347 HE1 TYR 50 HE1 TYR 50 12.096 8.985 -1.535 348 HE2 TYR 50 HE2 TYR 50 8.887 8.442 1.223 349 HH TYR 50 HH TYR 50 11.909 9.899 0.760 350 H MET 51 HN MET 51 5.098 9.402 -4.330 351 HA MET 51 HA MET 51 4.477 7.483 -6.383 352 HB2 MET 51 HB2 MET 51 2.681 9.727 -5.498 353 HB3 MET 51 HB1 MET 51 2.233 8.226 -6.273 354 HG2 MET 51 HG2 MET 51 3.396 8.449 -3.527 355 HG3 MET 51 HG1 MET 51 1.679 8.303 -3.898 356 HE1 MET 51 HE1 MET 51 1.661 4.711 -5.535 357 HE2 MET 51 HE2 MET 51 1.805 6.275 -6.333 358 HE3 MET 51 HE3 MET 51 0.634 6.052 -5.034 359 H SER 52 HN SER 52 3.498 8.127 -8.403 360 HA SER 52 HA SER 52 4.797 10.524 -9.488 361 HB2 SER 52 HB2 SER 52 4.608 7.849 -10.883 362 HB3 SER 52 HB1 SER 52 5.448 9.286 -11.465 363 HG SER 52 HG SER 52 6.876 9.100 -9.713 364 H LYS 53 HN LYS 53 2.052 8.398 -9.504 365 HA LYS 53 HA LYS 53 0.770 9.624 -11.733 366 HB2 LYS 53 HB2 LYS 53 -0.835 8.008 -11.465 367 HB3 LYS 53 HB1 LYS 53 0.500 7.236 -10.658 368 HG2 LYS 53 HG2 LYS 53 -1.923 8.502 -9.412 369 HG3 LYS 53 HG1 LYS 53 -1.442 6.812 -9.387 370 HD2 LYS 53 HD2 LYS 53 0.629 7.619 -8.117 371 HD3 LYS 53 HD1 LYS 53 -0.265 9.129 -7.902 372 HE2 LYS 53 HE2 LYS 53 -0.524 7.644 -5.982 373 HE3 LYS 53 HE1 LYS 53 -2.063 7.930 -6.794 374 HZ1 LYS 53 HZ1 LYS 53 -1.739 5.627 -6.158 375 HZ2 LYS 53 HZ2 LYS 53 -0.405 5.526 -7.197 376 HZ3 LYS 53 HZ3 LYS 53 -1.955 5.819 -7.822 377 H ASN 54 HN ASN 54 -1.837 9.956 -10.642 378 HA ASN 54 HA ASN 54 -2.624 12.259 -9.996 379 HB2 ASN 54 HB2 ASN 54 -3.031 9.749 -8.427 380 HB3 ASN 54 HB1 ASN 54 -3.826 11.223 -7.946 381 HD21 ASN 54 HD21 ASN 54 -5.880 10.495 -8.392 382 HD22 ASN 54 HD22 ASN 54 -6.449 10.220 -10.006 383 H ALA 55 HN ALA 55 -0.891 10.489 -7.496 384 HA ALA 55 HA ALA 55 -1.147 12.230 -5.382 385 HB1 ALA 55 HB1 ALA 55 -0.453 10.005 -5.045 386 HB2 ALA 55 HB2 ALA 55 0.862 11.045 -4.494 387 HB3 ALA 55 HB3 ALA 55 0.975 10.224 -6.052 388 H LYS 56 HN LYS 56 0.580 13.305 -4.223 389 HA LYS 56 HA LYS 56 2.865 14.336 -5.546 390 HB2 LYS 56 HB2 LYS 56 1.095 15.803 -6.510 391 HB3 LYS 56 HB1 LYS 56 0.671 16.304 -4.882 392 HG2 LYS 56 HG2 LYS 56 2.036 18.001 -5.828 393 HG3 LYS 56 HG1 LYS 56 2.999 17.155 -4.616 394 HD2 LYS 56 HD2 LYS 56 4.378 17.494 -6.538 395 HD3 LYS 56 HD1 LYS 56 3.971 15.781 -6.462 396 HE2 LYS 56 HE2 LYS 56 3.797 16.601 -8.743 397 HE3 LYS 56 HE1 LYS 56 2.212 16.133 -8.132 398 HZ1 LYS 56 HZ1 LYS 56 2.126 18.231 -9.325 399 HZ2 LYS 56 HZ2 LYS 56 3.253 18.910 -8.262 400 HZ3 LYS 56 HZ3 LYS 56 1.727 18.452 -7.700 401 H ASN 57 HN ASN 57 0.655 15.590 -3.055 402 HA ASN 57 HA ASN 57 2.710 15.037 -1.031 403 HB2 ASN 57 HB2 ASN 57 0.331 16.917 -0.911 404 HB3 ASN 57 HB1 ASN 57 1.434 16.605 0.421 405 HD21 ASN 57 HD21 ASN 57 0.997 18.187 -2.631 406 HD22 ASN 57 HD22 ASN 57 2.433 19.152 -2.570 407 H GLU 58 HN GLU 58 1.371 14.755 1.195 408 HA GLU 58 HA GLU 58 0.157 12.249 1.047 409 HB2 GLU 58 HB2 GLU 58 0.543 12.402 3.241 410 HB3 GLU 58 HB1 GLU 58 0.813 14.128 3.085 411 HG2 GLU 58 HG2 GLU 58 -1.522 14.566 3.346 412 HG3 GLU 58 HG1 GLU 58 -1.865 12.839 3.422 413 H ASP 59 HN ASP 59 -1.108 15.473 0.993 414 HA ASP 59 HA ASP 59 -3.849 14.947 1.194 415 HB2 ASP 59 HB2 ASP 59 -2.614 17.167 1.342 416 HB3 ASP 59 HB1 ASP 59 -2.621 17.154 -0.412 417 H GLY 60 HN GLY 60 -1.626 14.680 -1.462 418 HA2 GLY 60 HA2 GLY 60 -3.825 14.502 -3.382 419 HA3 GLY 60 HA1 GLY 60 -2.133 14.730 -3.781 420 H ILE 61 HN ILE 61 -1.826 12.391 -1.624 421 HA ILE 61 HA ILE 61 -1.981 10.350 -3.697 422 HB ILE 61 HB ILE 61 0.193 10.490 -2.800 423 HG12 ILE 61 HG12 ILE 61 0.602 8.331 -1.942 424 HG13 ILE 61 HG11 ILE 61 -1.025 8.193 -1.284 425 HG21 ILE 61 HG21 ILE 61 -0.954 10.274 -0.038 426 HG22 ILE 61 HG22 ILE 61 -0.299 11.732 -0.775 427 HG23 ILE 61 HG23 ILE 61 0.754 10.356 -0.451 428 HD11 ILE 61 HD11 ILE 61 -0.331 8.335 -4.214 429 HD12 ILE 61 HD12 ILE 61 -1.945 8.101 -3.524 430 HD13 ILE 61 HD13 ILE 61 -0.701 6.859 -3.324 431 H VAL 62 HN VAL 62 -2.505 10.538 -0.246 432 HA VAL 62 HA VAL 62 -3.730 8.016 -0.036 433 HB VAL 62 HB VAL 62 -3.658 10.416 1.796 434 HG11 VAL 62 HG11 VAL 62 -5.603 8.908 2.234 435 HG12 VAL 62 HG12 VAL 62 -4.441 9.062 3.566 436 HG13 VAL 62 HG13 VAL 62 -4.423 7.611 2.552 437 HG21 VAL 62 HG21 VAL 62 -2.287 7.866 2.314 438 HG22 VAL 62 HG22 VAL 62 -1.800 9.516 2.717 439 HG23 VAL 62 HG23 VAL 62 -1.628 8.919 1.061 440 H ASN 63 HN ASN 63 -4.898 11.256 -0.408 441 HA ASN 63 HA ASN 63 -7.654 10.568 -0.085 442 HB2 ASN 63 HB2 ASN 63 -6.694 12.801 0.420 443 HB3 ASN 63 HB1 ASN 63 -6.453 13.060 -1.305 444 HD21 ASN 63 HD21 ASN 63 -8.763 12.840 1.262 445 HD22 ASN 63 HD22 ASN 63 -10.110 13.481 0.387 446 H SER 64 HN SER 64 -5.397 10.446 -2.665 447 HA SER 64 HA SER 64 -7.459 10.400 -4.742 448 HB2 SER 64 HB2 SER 64 -5.241 11.477 -5.191 449 HB3 SER 64 HB1 SER 64 -4.474 9.895 -4.991 450 HG SER 64 HG SER 64 -6.049 9.223 -6.693 451 H LEU 65 HN LEU 65 -5.898 8.420 -2.596 452 HA LEU 65 HA LEU 65 -5.918 5.984 -4.104 453 HB2 LEU 65 HB2 LEU 65 -4.892 7.020 -1.605 454 HB3 LEU 65 HB1 LEU 65 -5.567 5.409 -1.424 455 HG LEU 65 HG LEU 65 -3.697 5.930 -3.665 456 HD11 LEU 65 HD11 LEU 65 -2.989 5.755 -0.765 457 HD12 LEU 65 HD12 LEU 65 -2.430 6.905 -1.977 458 HD13 LEU 65 HD13 LEU 65 -1.874 5.234 -2.024 459 HD21 LEU 65 HD21 LEU 65 -4.845 3.788 -3.473 460 HD22 LEU 65 HD22 LEU 65 -4.236 3.595 -1.829 461 HD23 LEU 65 HD23 LEU 65 -3.120 3.588 -3.190 462 H ALA 66 HN ALA 66 -7.033 4.094 -3.455 463 HA ALA 66 HA ALA 66 -9.717 4.248 -2.818 464 HB1 ALA 66 HB1 ALA 66 -8.628 2.209 -3.712 465 HB2 ALA 66 HB2 ALA 66 -9.621 1.891 -2.274 466 HB3 ALA 66 HB3 ALA 66 -7.860 1.976 -2.133 467 H LYS 67 HN LYS 67 -10.861 4.247 -0.987 468 HA LYS 67 HA LYS 67 -9.329 4.555 1.491 469 HB2 LYS 67 HB2 LYS 67 -12.010 5.791 0.905 470 HB3 LYS 67 HB1 LYS 67 -10.963 6.112 2.271 471 HG2 LYS 67 HG2 LYS 67 -10.505 6.888 -0.592 472 HG3 LYS 67 HG1 LYS 67 -10.833 7.954 0.767 473 HD2 LYS 67 HD2 LYS 67 -8.411 6.188 0.682 474 HD3 LYS 67 HD1 LYS 67 -8.420 7.784 -0.060 475 HE2 LYS 67 HE2 LYS 67 -8.847 7.118 2.846 476 HE3 LYS 67 HE1 LYS 67 -7.462 7.954 2.135 477 HZ1 LYS 67 HZ1 LYS 67 -8.945 9.519 3.171 478 HZ2 LYS 67 HZ2 LYS 67 -10.258 8.965 2.260 479 HZ3 LYS 67 HZ3 LYS 67 -8.972 9.755 1.499 480 H ASP 68 HN ASP 68 -9.822 3.275 3.121 481 HA ASP 68 HA ASP 68 -11.853 1.248 2.679 482 HB2 ASP 68 HB2 ASP 68 -9.656 0.518 3.500 483 HB3 ASP 68 HB1 ASP 68 -9.835 1.543 4.923 484 H LYS 69 HN LYS 69 -13.499 0.801 4.240 485 HA LYS 69 HA LYS 69 -14.666 3.301 5.077 486 HB2 LYS 69 HB2 LYS 69 -16.645 1.788 5.664 487 HB3 LYS 69 HB1 LYS 69 -16.210 2.001 3.980 488 HG2 LYS 69 HG2 LYS 69 -14.918 -0.274 5.278 489 HG3 LYS 69 HG1 LYS 69 -16.677 -0.384 5.167 490 HD2 LYS 69 HD2 LYS 69 -14.843 0.235 2.857 491 HD3 LYS 69 HD1 LYS 69 -15.504 -1.365 3.210 492 HE2 LYS 69 HE2 LYS 69 -17.772 -0.465 2.975 493 HE3 LYS 69 HE1 LYS 69 -17.104 1.121 2.607 494 HZ1 LYS 69 HZ1 LYS 69 -16.741 -1.339 0.987 495 HZ2 LYS 69 HZ2 LYS 69 -16.050 0.164 0.646 496 HZ3 LYS 69 HZ3 LYS 69 -17.728 -0.023 0.595 497 H SER 70 HN SER 70 -13.614 0.310 6.671 498 HA SER 70 HA SER 70 -14.522 1.485 9.202 499 HB2 SER 70 HB2 SER 70 -14.383 -0.812 10.102 500 HB3 SER 70 HB1 SER 70 -15.445 -0.722 8.696 501 HG SER 70 HG SER 70 -14.090 -1.918 7.573 502 H GLY 71 HN GLY 71 -11.713 0.163 7.557 503 HA2 GLY 71 HA2 GLY 71 -9.485 0.125 8.142 504 HA3 GLY 71 HA1 GLY 71 -9.851 1.419 9.277 505 H ASN 72 HN ASN 72 -11.604 -1.535 9.514 506 HA ASN 72 HA ASN 72 -11.051 -1.746 12.266 507 HB2 ASN 72 HB2 ASN 72 -13.159 -2.508 11.560 508 HB3 ASN 72 HB1 ASN 72 -12.471 -3.521 10.298 509 HD21 ASN 72 HD21 ASN 72 -13.042 -3.205 13.731 510 HD22 ASN 72 HD22 ASN 72 -12.796 -4.877 14.115 511 H SER 73 HN SER 73 -9.569 -3.269 9.498 512 HA SER 73 HA SER 73 -8.144 -5.154 11.202 513 HB2 SER 73 HB2 SER 73 -9.040 -5.834 8.952 514 HB3 SER 73 HB1 SER 73 -7.872 -4.740 8.214 515 HG SER 73 HG SER 73 -6.206 -5.985 9.068 516 H SER 74 HN SER 74 -7.852 -2.060 10.873 517 HA SER 74 HA SER 74 -6.239 -0.483 11.017 518 HB2 SER 74 HB2 SER 74 -5.087 -2.021 12.584 519 HB3 SER 74 HB1 SER 74 -4.285 -2.796 11.221 520 HG SER 74 HG SER 74 -2.920 -1.194 11.116 521 H THR 75 HN THR 75 -4.917 0.670 9.590 522 HA THR 75 HA THR 75 -4.027 -0.709 7.191 523 HB THR 75 HB THR 75 -6.395 0.170 6.840 524 HG1 THR 75 HG1 THR 75 -5.794 1.041 4.737 525 HG21 THR 75 HG21 THR 75 -5.963 2.339 8.014 526 HG22 THR 75 HG22 THR 75 -6.699 2.500 6.419 527 HG23 THR 75 HG23 THR 75 -4.974 2.819 6.629 528 H SER 76 HN SER 76 -3.726 1.813 9.475 529 HA SER 76 HA SER 76 -2.029 3.210 9.995 530 HB2 SER 76 HB2 SER 76 -0.563 1.887 7.702 531 HB3 SER 76 HB1 SER 76 0.164 2.959 8.898 532 HG SER 76 HG SER 76 -0.138 1.452 10.458 533 H ALA 77 HN ALA 77 -2.661 3.003 6.511 534 HA ALA 77 HA ALA 77 -2.005 5.725 5.938 535 HB1 ALA 77 HB1 ALA 77 -2.114 3.979 4.202 536 HB2 ALA 77 HB2 ALA 77 -3.164 5.358 3.826 537 HB3 ALA 77 HB3 ALA 77 -3.858 3.854 4.463 538 HA PRO 78 HA PRO 78 -5.542 7.714 7.740 539 HB2 PRO 78 HB2 PRO 78 -5.114 9.611 5.501 540 HB3 PRO 78 HB1 PRO 78 -5.261 9.945 7.223 541 HG2 PRO 78 HG2 PRO 78 -2.901 10.067 6.053 542 HG3 PRO 78 HG1 PRO 78 -3.064 9.283 7.631 543 HD2 PRO 78 HD2 PRO 78 -2.825 8.036 4.934 544 HD3 PRO 78 HD1 PRO 78 -2.044 7.575 6.461 545 H GLY 79 HN GLY 79 -7.304 6.510 7.330 546 HA2 GLY 79 HA2 GLY 79 -9.274 5.852 6.388 547 HA3 GLY 79 HA1 GLY 79 -9.169 7.290 5.396 548 H SER 80 HN SER 80 -6.451 5.451 4.727 549 HA SER 80 HA SER 80 -7.624 4.814 2.135 550 HB2 SER 80 HB2 SER 80 -5.009 5.546 3.168 551 HB3 SER 80 HB1 SER 80 -4.951 4.245 1.984 552 HG SER 80 HG SER 80 -6.406 5.720 0.721 553 H ALA 81 HN ALA 81 -6.842 2.959 0.966 554 HA ALA 81 HA ALA 81 -7.204 0.569 2.614 555 HB1 ALA 81 HB1 ALA 81 -7.589 0.992 -0.342 556 HB2 ALA 81 HB2 ALA 81 -8.863 1.002 0.876 557 HB3 ALA 81 HB3 ALA 81 -7.967 -0.488 0.542 558 H HIS 82 HN HIS 82 -4.580 1.639 2.573 559 HA HIS 82 HA HIS 82 -3.310 -0.737 1.522 560 HB2 HIS 82 HB2 HIS 82 -2.770 1.952 0.488 561 HB3 HIS 82 HB1 HIS 82 -1.341 1.038 0.936 562 HD1 HIS 82 HD1 HIS 82 -1.023 -1.273 -0.369 563 HD2 HIS 82 HD2 HIS 82 -3.935 1.286 -1.870 564 HE1 HIS 82 HE1 HIS 82 -1.465 -2.056 -2.718 565 HE2 HIS 82 HE2 HIS 82 -3.375 -0.621 -3.522 566 H GLN 83 HN GLN 83 -2.027 -1.630 2.871 567 HA GLN 83 HA GLN 83 -0.622 -0.094 4.917 568 HB2 GLN 83 HB2 GLN 83 -2.653 -0.758 6.038 569 HB3 GLN 83 HB1 GLN 83 -2.517 -2.394 5.414 570 HG2 GLN 83 HG2 GLN 83 -0.391 -2.610 6.740 571 HG3 GLN 83 HG1 GLN 83 -0.806 -1.074 7.500 572 HE21 GLN 83 HE21 GLN 83 -3.192 -3.446 6.557 573 HE22 GLN 83 HE22 GLN 83 -3.661 -3.885 8.162 574 H ILE 84 HN ILE 84 1.425 -0.740 4.846 575 HA ILE 84 HA ILE 84 2.047 -3.172 3.441 576 HB ILE 84 HB ILE 84 3.518 -0.726 4.256 577 HG12 ILE 84 HG12 ILE 84 3.945 -1.760 1.620 578 HG13 ILE 84 HG11 ILE 84 2.225 -1.762 1.987 579 HG21 ILE 84 HG21 ILE 84 4.848 -3.256 3.284 580 HG22 ILE 84 HG22 ILE 84 5.032 -2.540 4.885 581 HG23 ILE 84 HG23 ILE 84 5.625 -1.683 3.462 582 HD11 ILE 84 HD11 ILE 84 2.481 0.643 2.650 583 HD12 ILE 84 HD12 ILE 84 2.747 0.303 0.942 584 HD13 ILE 84 HD13 ILE 84 4.124 0.570 2.010 585 H ASP 85 HN ASP 85 2.925 -4.924 4.246 586 HA ASP 85 HA ASP 85 3.070 -5.240 7.138 587 HB2 ASP 85 HB2 ASP 85 1.962 -6.931 5.540 588 HB3 ASP 85 HB1 ASP 85 3.588 -7.327 5.012 589 H THR 86 HN THR 86 4.986 -4.692 8.049 590 HA THR 86 HA THR 86 7.377 -4.774 6.430 591 HB THR 86 HB THR 86 8.457 -3.727 8.378 592 HG1 THR 86 HG1 THR 86 7.513 -4.059 10.242 593 HG21 THR 86 HG21 THR 86 7.400 -2.354 6.681 594 HG22 THR 86 HG22 THR 86 7.173 -1.626 8.274 595 HG23 THR 86 HG23 THR 86 5.846 -2.503 7.506 596 H THR 87 HN THR 87 5.811 -6.665 8.810 597 HA THR 87 HA THR 87 7.878 -8.192 9.856 598 HB THR 87 HB THR 87 5.077 -9.065 9.112 599 HG1 THR 87 HG1 THR 87 4.504 -8.361 11.104 600 HG21 THR 87 HG21 THR 87 5.394 -10.826 10.788 601 HG22 THR 87 HG22 THR 87 7.067 -10.314 11.003 602 HG23 THR 87 HG23 THR 87 6.541 -10.976 9.456 603 H ASN 88 HN ASN 88 5.825 -8.938 7.038 604 HA ASN 88 HA ASN 88 7.789 -10.900 6.120 605 HB2 ASN 88 HB2 ASN 88 5.052 -10.166 5.058 606 HB3 ASN 88 HB1 ASN 88 6.072 -11.446 4.410 607 HD21 ASN 88 HD21 ASN 88 4.133 -10.412 7.121 608 HD22 ASN 88 HD22 ASN 88 3.966 -11.981 7.843 609 H HIS 89 HN HIS 89 6.839 -7.696 5.592 610 HA HIS 89 HA HIS 89 7.762 -6.013 4.402 611 HB2 HIS 89 HB2 HIS 89 9.671 -8.193 3.737 612 HB3 HIS 89 HB1 HIS 89 9.657 -6.777 2.695 613 HD1 HIS 89 HD1 HIS 89 11.832 -7.796 4.964 614 HD2 HIS 89 HD2 HIS 89 9.314 -4.491 5.041 615 HE1 HIS 89 HE1 HIS 89 12.895 -6.174 6.565 616 HE2 HIS 89 HE2 HIS 89 11.407 -4.138 6.513 617 H LYS 90 HN LYS 90 5.455 -7.044 3.679 618 HA LYS 90 HA LYS 90 5.477 -7.148 0.742 619 HB2 LYS 90 HB2 LYS 90 3.848 -8.375 2.872 620 HB3 LYS 90 HB1 LYS 90 3.000 -7.950 1.406 621 HG2 LYS 90 HG2 LYS 90 4.548 -9.342 0.117 622 HG3 LYS 90 HG1 LYS 90 5.434 -9.725 1.594 623 HD2 LYS 90 HD2 LYS 90 2.567 -10.432 0.980 624 HD3 LYS 90 HD1 LYS 90 3.935 -11.543 1.038 625 HE2 LYS 90 HE2 LYS 90 4.246 -10.993 3.416 626 HE3 LYS 90 HE1 LYS 90 2.834 -9.942 3.344 627 HZ1 LYS 90 HZ1 LYS 90 2.177 -12.044 4.231 628 HZ2 LYS 90 HZ2 LYS 90 2.892 -12.884 2.950 629 HZ3 LYS 90 HZ3 LYS 90 1.529 -11.924 2.673 630 H LEU 91 HN LEU 91 4.154 -5.822 -0.404 631 HA LEU 91 HA LEU 91 2.986 -3.529 0.980 632 HB2 LEU 91 HB2 LEU 91 4.420 -3.080 -0.931 633 HB3 LEU 91 HB1 LEU 91 3.451 -4.089 -1.952 634 HG LEU 91 HG LEU 91 2.343 -2.296 -2.618 635 HD11 LEU 91 HD11 LEU 91 0.650 -2.713 -0.965 636 HD12 LEU 91 HD12 LEU 91 0.893 -0.973 -1.130 637 HD13 LEU 91 HD13 LEU 91 1.576 -1.833 0.250 638 HD21 LEU 91 HD21 LEU 91 4.389 -1.099 -2.081 639 HD22 LEU 91 HD22 LEU 91 3.726 -0.704 -0.499 640 HD23 LEU 91 HD23 LEU 91 2.954 -0.088 -1.959 641 H ILE 92 HN ILE 92 1.147 -4.038 1.814 642 HA ILE 92 HA ILE 92 -0.796 -5.718 0.435 643 HB ILE 92 HB ILE 92 -0.254 -4.878 3.245 644 HG12 ILE 92 HG12 ILE 92 -0.836 -7.426 3.509 645 HG13 ILE 92 HG11 ILE 92 -0.585 -7.458 1.767 646 HG21 ILE 92 HG21 ILE 92 -2.617 -4.378 3.031 647 HG22 ILE 92 HG22 ILE 92 -2.399 -5.825 4.016 648 HG23 ILE 92 HG23 ILE 92 -2.922 -5.972 2.340 649 HD11 ILE 92 HD11 ILE 92 1.405 -6.494 3.782 650 HD12 ILE 92 HD12 ILE 92 1.650 -6.629 2.044 651 HD13 ILE 92 HD13 ILE 92 1.405 -8.081 3.017 652 H SER 93 HN SER 93 -2.816 -4.939 -0.138 653 HA SER 93 HA SER 93 -3.468 -2.223 0.716 654 HB2 SER 93 HB2 SER 93 -5.139 -2.144 -0.969 655 HB3 SER 93 HB1 SER 93 -3.719 -2.856 -1.735 656 HG SER 93 HG SER 93 -5.856 -4.360 -0.628 657 H THR 94 HN THR 94 -4.786 -2.038 2.478 658 HA THR 94 HA THR 94 -6.238 -4.468 3.211 659 HB THR 94 HB THR 94 -5.525 -2.119 4.968 660 HG1 THR 94 HG1 THR 94 -4.370 -4.683 4.576 661 HG21 THR 94 HG21 THR 94 -6.696 -4.818 5.662 662 HG22 THR 94 HG22 THR 94 -7.616 -3.318 5.578 663 HG23 THR 94 HG23 THR 94 -6.344 -3.507 6.790 664 H PHE 95 HN PHE 95 -8.170 -4.464 2.517 665 HA PHE 95 HA PHE 95 -9.783 -2.022 2.751 666 HB2 PHE 95 HB2 PHE 95 -9.407 -3.188 0.476 667 HB3 PHE 95 HB1 PHE 95 -10.448 -4.445 1.131 668 HD1 PHE 95 HD1 PHE 95 -12.797 -3.903 1.762 669 HD2 PHE 95 HD2 PHE 95 -10.297 -1.150 -0.319 670 HE1 PHE 95 HE1 PHE 95 -14.773 -2.593 1.115 671 HE2 PHE 95 HE2 PHE 95 -12.274 0.159 -0.970 672 HZ PHE 95 HZ PHE 95 -14.511 -0.565 -0.250 673 H THR 96 HN THR 96 -10.752 -2.255 4.773 674 HA THR 96 HA THR 96 -11.522 -4.939 5.586 675 HB THR 96 HB THR 96 -12.071 -2.634 7.369 676 HG1 THR 96 HG1 THR 96 -10.021 -2.051 6.653 677 HG21 THR 96 HG21 THR 96 -11.145 -4.269 9.012 678 HG22 THR 96 HG22 THR 96 -10.939 -5.408 7.680 679 HG23 THR 96 HG23 THR 96 -12.553 -4.855 8.128 680 HA PRO 97 HA PRO 97 -15.486 -3.864 3.721 681 HB2 PRO 97 HB2 PRO 97 -16.563 -6.344 4.422 682 HB3 PRO 97 HB1 PRO 97 -15.821 -5.929 2.879 683 HG2 PRO 97 HG2 PRO 97 -14.745 -7.470 5.143 684 HG3 PRO 97 HG1 PRO 97 -14.312 -7.526 3.426 685 HD2 PRO 97 HD2 PRO 97 -12.781 -6.383 5.373 686 HD3 PRO 97 HD1 PRO 97 -12.698 -5.942 3.665 687 H SER 98 HN SER 98 -17.589 -3.510 4.473 688 HA SER 98 HA SER 98 -17.684 -2.658 7.164 689 HB2 SER 98 HB2 SER 98 -18.846 -1.505 5.316 690 HB3 SER 98 HB1 SER 98 -19.950 -2.872 5.178 691 HG SER 98 HG SER 98 -19.640 -1.655 7.680 692 H ASN 99 HN ASN 99 -18.425 -5.629 5.658 693 HA ASN 99 HA ASN 99 -20.225 -6.587 7.671 694 HB2 ASN 99 HB2 ASN 99 -18.668 -7.958 5.504 695 HB3 ASN 99 HB1 ASN 99 -19.596 -8.868 6.685 696 HD21 ASN 99 HD21 ASN 99 -19.697 -6.919 3.867 697 HD22 ASN 99 HD22 ASN 99 -21.400 -7.025 3.590 698 H GLY 100 HN GLY 100 -16.904 -6.043 7.531 699 HA2 GLY 100 HA2 GLY 100 -15.388 -6.237 9.270 700 HA3 GLY 100 HA1 GLY 100 -16.561 -7.198 10.153 701 H GLY 101 HN GLY 101 -16.179 -8.338 7.038 702 HA2 GLY 101 HA2 GLY 101 -14.880 -10.728 7.945 703 HA3 GLY 101 HA1 GLY 101 -15.371 -10.369 6.296 704 H GLN 102 HN GLN 102 -13.287 -11.479 5.876 705 HA GLN 102 HA GLN 102 -10.812 -10.342 6.546 706 HB2 GLN 102 HB2 GLN 102 -9.888 -11.721 4.772 707 HB3 GLN 102 HB1 GLN 102 -11.073 -12.634 5.696 708 HG2 GLN 102 HG2 GLN 102 -12.730 -12.266 3.967 709 HG3 GLN 102 HG1 GLN 102 -11.571 -11.310 3.049 710 HE21 GLN 102 HE21 GLN 102 -9.346 -13.068 3.716 711 HE22 GLN 102 HE22 GLN 102 -9.556 -14.490 2.758 712 H ALA 103 HN ALA 103 -9.482 -8.936 5.505 713 HA ALA 103 HA ALA 103 -10.782 -6.927 3.883 714 HB1 ALA 103 HB1 ALA 103 -9.238 -6.285 5.662 715 HB2 ALA 103 HB2 ALA 103 -8.703 -5.702 4.081 716 HB3 ALA 103 HB3 ALA 103 -7.920 -7.107 4.818 717 H THR 104 HN THR 104 -10.113 -6.180 1.993 718 HA THR 104 HA THR 104 -9.376 -8.268 0.125 719 HB THR 104 HB THR 104 -10.870 -5.740 0.087 720 HG1 THR 104 HG1 THR 104 -11.251 -8.369 -0.505 721 HG21 THR 104 HG21 THR 104 -9.335 -5.132 -1.613 722 HG22 THR 104 HG22 THR 104 -10.823 -5.670 -2.403 723 HG23 THR 104 HG23 THR 104 -9.417 -6.739 -2.346 724 H VAL 105 HN VAL 105 -7.405 -8.369 -0.854 725 HA VAL 105 HA VAL 105 -5.587 -6.116 -0.300 726 HB VAL 105 HB VAL 105 -4.876 -9.029 -0.086 727 HG11 VAL 105 HG11 VAL 105 -3.336 -6.538 0.585 728 HG12 VAL 105 HG12 VAL 105 -2.973 -7.704 -0.686 729 HG13 VAL 105 HG13 VAL 105 -2.827 -8.170 1.010 730 HG21 VAL 105 HG21 VAL 105 -6.345 -8.514 1.745 731 HG22 VAL 105 HG22 VAL 105 -5.461 -7.027 2.089 732 HG23 VAL 105 HG23 VAL 105 -4.689 -8.590 2.361 733 H LEU 106 HN LEU 106 -4.344 -5.466 -1.857 734 HA LEU 106 HA LEU 106 -3.605 -7.267 -4.058 735 HB2 LEU 106 HB2 LEU 106 -3.867 -4.279 -3.860 736 HB3 LEU 106 HB1 LEU 106 -2.832 -4.996 -5.076 737 HG LEU 106 HG LEU 106 -4.923 -4.473 -6.087 738 HD11 LEU 106 HD11 LEU 106 -4.818 -7.437 -5.541 739 HD12 LEU 106 HD12 LEU 106 -3.884 -6.580 -6.768 740 HD13 LEU 106 HD13 LEU 106 -5.642 -6.653 -6.890 741 HD21 LEU 106 HD21 LEU 106 -7.059 -5.316 -5.276 742 HD22 LEU 106 HD22 LEU 106 -6.268 -4.385 -4.008 743 HD23 LEU 106 HD23 LEU 106 -6.252 -6.148 -3.943 744 H THR 107 HN THR 107 -1.637 -8.132 -3.737 745 HA THR 107 HA THR 107 0.084 -6.808 -1.751 746 HB THR 107 HB THR 107 0.113 -9.737 -2.444 747 HG1 THR 107 HG1 THR 107 -1.457 -10.052 -1.014 748 HG21 THR 107 HG21 THR 107 2.108 -8.884 -1.285 749 HG22 THR 107 HG22 THR 107 1.174 -9.963 -0.249 750 HG23 THR 107 HG23 THR 107 1.085 -8.218 -0.010 751 H TYR 108 HN TYR 108 2.264 -6.758 -1.970 752 HA TYR 108 HA TYR 108 3.569 -7.894 -4.319 753 HB2 TYR 108 HB2 TYR 108 3.390 -5.755 -5.194 754 HB3 TYR 108 HB1 TYR 108 3.380 -4.996 -3.613 755 HD1 TYR 108 HD1 TYR 108 5.306 -4.037 -2.747 756 HD2 TYR 108 HD2 TYR 108 5.628 -6.687 -6.052 757 HE1 TYR 108 HE1 TYR 108 7.652 -3.390 -3.016 758 HE2 TYR 108 HE2 TYR 108 7.991 -6.066 -6.328 759 HH TYR 108 HH TYR 108 9.501 -4.300 -5.787 760 H ASP 109 HN ASP 109 5.786 -8.414 -3.890 761 HA ASP 109 HA ASP 109 6.481 -8.225 -1.027 762 HB2 ASP 109 HB2 ASP 109 6.104 -10.523 -2.294 763 HB3 ASP 109 HB1 ASP 109 7.752 -10.240 -2.835 764 H TRP 110 HN TRP 110 8.104 -6.853 -0.595 765 HA TRP 110 HA TRP 110 9.847 -5.967 -2.734 766 HB2 TRP 110 HB2 TRP 110 9.281 -4.148 -1.407 767 HB3 TRP 110 HB1 TRP 110 9.382 -5.061 0.088 768 HD1 TRP 110 HD1 TRP 110 11.774 -3.588 -2.594 769 HE1 TRP 110 HE1 TRP 110 13.993 -2.975 -1.426 770 HE3 TRP 110 HE3 TRP 110 10.746 -5.309 2.107 771 HZ2 TRP 110 HZ2 TRP 110 15.142 -3.194 1.128 772 HZ3 TRP 110 HZ3 TRP 110 12.460 -5.067 3.854 773 HH2 TRP 110 HH2 TRP 110 14.618 -4.030 3.380 774 H SER 111 HN SER 111 10.149 -7.767 0.302 775 HA SER 111 HA SER 111 12.951 -8.196 -0.028 776 HB2 SER 111 HB2 SER 111 10.888 -9.402 1.780 777 HB3 SER 111 HB1 SER 111 12.585 -9.818 1.851 778 HG SER 111 HG SER 111 13.034 -7.928 2.719 779 H ALA 112 HN ALA 112 10.004 -9.894 -0.792 780 HA ALA 112 HA ALA 112 9.562 -11.737 -2.034 781 HB1 ALA 112 HB1 ALA 112 10.245 -10.218 -3.718 782 HB2 ALA 112 HB2 ALA 112 10.863 -11.823 -4.125 783 HB3 ALA 112 HB3 ALA 112 11.942 -10.603 -3.446 784 H ASN 113 HN ASN 113 10.732 -12.544 0.169 785 HA ASN 113 HA ASN 113 12.948 -14.311 -0.408 786 HB2 ASN 113 HB2 ASN 113 12.658 -13.148 1.810 787 HB3 ASN 113 HB1 ASN 113 11.258 -14.173 2.102 788 HD21 ASN 113 HD21 ASN 113 11.563 -16.339 2.583 789 HD22 ASN 113 HD22 ASN 113 13.111 -16.989 2.993 790 H GLY 114 HN GLY 114 11.641 -15.266 -2.175 791 HA2 GLY 114 HA2 GLY 114 10.869 -17.391 -2.813 792 HA3 GLY 114 HA1 GLY 114 10.322 -17.665 -1.167 793 H VAL 115 HN VAL 115 9.671 -15.526 -3.933 794 HA VAL 115 HA VAL 115 6.801 -15.871 -3.396 795 HB VAL 115 HB VAL 115 7.692 -13.609 -2.694 796 HG11 VAL 115 HG11 VAL 115 9.297 -13.252 -4.456 797 HG12 VAL 115 HG12 VAL 115 8.093 -11.963 -4.484 798 HG13 VAL 115 HG13 VAL 115 8.017 -13.270 -5.668 799 HG21 VAL 115 HG21 VAL 115 5.328 -13.940 -3.101 800 HG22 VAL 115 HG22 VAL 115 5.563 -13.676 -4.828 801 HG23 VAL 115 HG23 VAL 115 5.823 -12.354 -3.689 802 H ASN 116 HN ASN 116 9.049 -16.775 -5.282 803 HA ASN 116 HA ASN 116 9.219 -17.585 -7.395 804 HB2 ASN 116 HB2 ASN 116 6.283 -16.905 -7.425 805 HB3 ASN 116 HB1 ASN 116 7.098 -17.597 -8.821 806 HD21 ASN 116 HD21 ASN 116 7.799 -19.722 -8.748 807 HD22 ASN 116 HD22 ASN 116 7.277 -20.826 -7.523 808 H SER 117 HN SER 117 8.715 -16.873 -9.807 809 HA SER 117 HA SER 117 9.447 -15.486 -11.433 810 HB2 SER 117 HB2 SER 117 8.368 -13.214 -11.471 811 HB3 SER 117 HB1 SER 117 7.247 -14.559 -11.286 812 HG SER 117 HG SER 117 8.141 -13.594 -8.892 813 H ASN 118 HN ASN 118 11.178 -15.746 -9.145 814 HA ASN 118 HA ASN 118 13.070 -13.722 -9.747 815 HB2 ASN 118 HB2 ASN 118 11.586 -12.395 -8.273 816 HB3 ASN 118 HB1 ASN 118 11.803 -13.589 -6.997 817 HD21 ASN 118 HD21 ASN 118 13.359 -11.117 -8.897 818 HD22 ASN 118 HD22 ASN 118 14.686 -10.848 -7.823
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