NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588771 | 2rv2 | 11482 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 4.654 -21.388 -13.607 2 H2 GLY 1 2H GLY 1 4.569 -22.629 -12.540 3 H3 GLY 1 3H GLY 1 5.246 -21.206 -12.091 4 HA2 GLY 1 1HA GLY 1 2.405 -21.621 -12.771 5 HA3 GLY 1 2HA GLY 1 3.049 -21.404 -11.134 6 H SER 2 H SER 2 1.639 -19.582 -10.894 7 HA SER 2 HA SER 2 2.772 -17.034 -11.885 8 HB2 SER 2 1HB SER 2 0.545 -16.187 -12.520 9 HB3 SER 2 2HB SER 2 1.063 -17.541 -13.534 10 HG SER 2 HG SER 2 -1.123 -17.753 -12.860 11 H SER 3 H SER 3 1.950 -15.146 -10.723 12 HA SER 3 HA SER 3 2.018 -15.539 -7.903 13 HB2 SER 3 1HB SER 3 1.246 -13.047 -9.463 14 HB3 SER 3 2HB SER 3 1.729 -13.114 -7.756 15 HG SER 3 HG SER 3 3.483 -12.552 -9.141 16 H GLY 4 H GLY 4 0.517 -15.349 -6.294 17 HA2 GLY 4 1HA GLY 4 -2.305 -15.821 -6.878 18 HA3 GLY 4 2HA GLY 4 -1.554 -15.687 -5.293 19 H SER 5 H SER 5 -3.970 -14.612 -5.562 20 HA SER 5 HA SER 5 -3.950 -11.800 -6.292 21 HB2 SER 5 1HB SER 5 -6.031 -13.392 -4.755 22 HB3 SER 5 2HB SER 5 -6.259 -11.806 -5.519 23 HG SER 5 HG SER 5 -7.012 -13.529 -6.846 24 H SER 6 H SER 6 -2.895 -13.355 -3.467 25 HA SER 6 HA SER 6 -2.372 -12.740 -1.359 26 HB2 SER 6 1HB SER 6 -1.854 -10.075 -2.702 27 HB3 SER 6 2HB SER 6 -1.172 -10.618 -1.157 28 HG SER 6 HG SER 6 0.250 -11.000 -2.928 29 H GLY 7 H GLY 7 -5.267 -12.360 -1.911 30 HA2 GLY 7 1HA GLY 7 -7.110 -11.857 -0.626 31 HA3 GLY 7 2HA GLY 7 -6.036 -11.225 0.621 32 H LYS 8 H LYS 8 -4.843 -9.144 -1.028 33 HA LYS 8 HA LYS 8 -7.117 -7.307 -1.578 34 HB2 LYS 8 1HB LYS 8 -4.706 -6.825 0.198 35 HB3 LYS 8 2HB LYS 8 -5.727 -5.511 -0.404 36 HG2 LYS 8 1HG LYS 8 -7.698 -6.480 0.713 37 HG3 LYS 8 2HG LYS 8 -6.723 -7.846 1.285 38 HD2 LYS 8 1HD LYS 8 -5.257 -6.264 2.527 39 HD3 LYS 8 2HD LYS 8 -6.322 -4.928 2.020 40 HE2 LYS 8 1HE LYS 8 -8.225 -6.017 3.162 41 HE3 LYS 8 2HE LYS 8 -7.177 -7.364 3.632 42 HZ1 LYS 8 3HZ LYS 8 -5.853 -5.811 4.949 43 HZ2 LYS 8 1HZ LYS 8 -7.411 -5.714 5.425 44 HZ3 LYS 8 2HZ LYS 8 -6.766 -4.541 4.487 45 HA PRO 9 HA PRO 9 -5.093 -6.440 -5.309 46 HB2 PRO 9 1HB PRO 9 -6.120 -4.004 -6.017 47 HB3 PRO 9 2HB PRO 9 -7.070 -5.521 -5.978 48 HG2 PRO 9 1HG PRO 9 -6.816 -3.452 -3.765 49 HG3 PRO 9 2HG PRO 9 -8.331 -4.102 -4.490 50 HD2 PRO 9 1HD PRO 9 -7.321 -5.129 -2.206 51 HD3 PRO 9 2HD PRO 9 -7.937 -6.234 -3.483 52 H PHE 10 H PHE 10 -4.834 -3.710 -2.959 53 HA PHE 10 HA PHE 10 -2.293 -2.822 -4.278 54 HB2 PHE 10 1HB PHE 10 -4.171 -1.183 -2.587 55 HB3 PHE 10 2HB PHE 10 -2.795 -0.628 -3.502 56 HD1 PHE 10 1HD PHE 10 -2.741 -1.015 -6.051 57 HD2 PHE 10 2HD PHE 10 -6.324 -1.200 -3.670 58 HE1 PHE 10 1HE PHE 10 -4.103 -0.790 -8.098 59 HE2 PHE 10 2HE PHE 10 -7.704 -1.002 -5.731 60 HZ PHE 10 HZ PHE 10 -6.594 -0.780 -7.953 61 H LYS 11 H LYS 11 -0.992 -4.117 -3.396 62 HA LYS 11 HA LYS 11 -0.469 -4.129 -0.467 63 HB2 LYS 11 1HB LYS 11 -0.767 -6.245 -1.846 64 HB3 LYS 11 2HB LYS 11 0.732 -5.855 -2.670 65 HG2 LYS 11 1HG LYS 11 0.390 -6.491 0.300 66 HG3 LYS 11 2HG LYS 11 1.015 -7.562 -0.953 67 HD2 LYS 11 1HD LYS 11 2.837 -5.772 -1.339 68 HD3 LYS 11 2HD LYS 11 2.301 -5.099 0.226 69 HE2 LYS 11 1HE LYS 11 2.759 -7.270 1.312 70 HE3 LYS 11 2HE LYS 11 3.309 -7.929 -0.239 71 HZ1 LYS 11 3HZ LYS 11 4.522 -5.620 1.183 72 HZ2 LYS 11 1HZ LYS 11 5.022 -6.168 -0.268 73 HZ3 LYS 11 2HZ LYS 11 5.195 -7.117 1.061 74 H CYS 12 H CYS 12 0.944 -2.818 0.279 75 HA CYS 12 HA CYS 12 2.521 -0.881 -0.947 76 HB2 CYS 12 1HB CYS 12 1.850 -0.896 1.368 77 HB3 CYS 12 2HB CYS 12 2.768 -2.375 1.678 78 H SER 13 H SER 13 4.600 -0.673 -1.657 79 HA SER 13 HA SER 13 5.979 -3.094 -2.549 80 HB2 SER 13 1HB SER 13 7.511 -1.499 -3.659 81 HB3 SER 13 2HB SER 13 5.808 -1.249 -4.073 82 HG SER 13 HG SER 13 6.911 0.719 -3.597 83 H LEU 14 H LEU 14 6.039 -1.449 0.354 84 HA LEU 14 HA LEU 14 8.945 -2.005 0.897 85 HB2 LEU 14 1HB LEU 14 7.109 0.055 2.165 86 HB3 LEU 14 2HB LEU 14 8.836 -0.105 2.426 87 HG LEU 14 HG LEU 14 7.551 0.627 -0.242 88 HD11 LEU 14 1HD1 LEU 14 8.416 2.895 0.217 89 HD12 LEU 14 2HD1 LEU 14 8.889 2.363 1.853 90 HD13 LEU 14 3HD1 LEU 14 7.180 2.358 1.359 91 HD21 LEU 14 3HD2 LEU 14 9.840 1.299 -0.894 92 HD22 LEU 14 1HD2 LEU 14 9.758 -0.428 -0.534 93 HD23 LEU 14 2HD2 LEU 14 10.463 0.689 0.660 94 H CYS 15 H CYS 15 5.696 -2.073 2.289 95 HA CYS 15 HA CYS 15 6.647 -3.972 4.396 96 HB2 CYS 15 1HB CYS 15 5.578 -2.835 6.107 97 HB3 CYS 15 2HB CYS 15 6.389 -1.596 5.183 98 H GLU 16 H GLU 16 4.494 -4.658 5.682 99 HA GLU 16 HA GLU 16 3.097 -6.377 3.738 100 HB2 GLU 16 1HB GLU 16 4.275 -7.101 5.947 101 HB3 GLU 16 2HB GLU 16 2.821 -6.511 6.753 102 HG2 GLU 16 1HG GLU 16 1.462 -8.156 5.471 103 HG3 GLU 16 2HG GLU 16 2.887 -8.625 4.546 104 H TYR 17 H TYR 17 2.453 -3.352 4.505 105 HA TYR 17 HA TYR 17 -0.362 -3.415 5.154 106 HB2 TYR 17 1HB TYR 17 1.069 -1.472 5.418 107 HB3 TYR 17 2HB TYR 17 1.391 -1.405 3.705 108 HD1 TYR 17 1HD TYR 17 -0.449 -0.713 2.108 109 HD2 TYR 17 2HD TYR 17 -0.980 -0.570 6.381 110 HE1 TYR 17 1HE TYR 17 -2.402 0.844 1.814 111 HE2 TYR 17 2HE TYR 17 -2.900 0.992 6.085 112 HH TYR 17 HH TYR 17 -4.213 2.132 4.598 113 H ALA 18 H ALA 18 -2.143 -3.627 3.939 114 HA ALA 18 HA ALA 18 -2.013 -3.157 1.096 115 HB1 ALA 18 1HB ALA 18 -2.972 -5.277 0.373 116 HB2 ALA 18 2HB ALA 18 -1.448 -5.579 1.249 117 HB3 ALA 18 3HB ALA 18 -2.993 -5.872 2.060 118 H THR 19 H THR 19 -3.979 -2.737 0.111 119 HA THR 19 HA THR 19 -6.444 -2.577 1.778 120 HB THR 19 HB THR 19 -5.289 -0.476 2.160 121 HG1 THR 19 1HG THR 19 -6.967 0.704 1.784 122 HG21 THR 19 3HG2 THR 19 -3.853 -0.362 0.194 123 HG22 THR 19 1HG2 THR 19 -4.823 1.085 0.422 124 HG23 THR 19 2HG2 THR 19 -5.274 -0.083 -0.842 125 H ARG 20 H ARG 20 -8.310 -1.871 0.531 126 HA ARG 20 HA ARG 20 -8.489 -3.259 -2.087 127 HB2 ARG 20 1HB ARG 20 -10.544 -2.330 -0.065 128 HB3 ARG 20 2HB ARG 20 -11.005 -2.923 -1.654 129 HG2 ARG 20 1HG ARG 20 -9.283 -4.596 0.217 130 HG3 ARG 20 2HG ARG 20 -11.043 -4.590 0.304 131 HD2 ARG 20 1HD ARG 20 -11.232 -5.386 -2.007 132 HD3 ARG 20 2HD ARG 20 -9.502 -5.270 -2.235 133 HE ARG 20 HE ARG 20 -9.185 -7.281 -1.116 134 HH11 ARG 20 2HH1 ARG 20 -12.516 -6.353 -0.518 135 HH12 ARG 20 1HH1 ARG 20 -12.896 -7.910 0.165 136 HH21 ARG 20 2HH2 ARG 20 -9.721 -9.190 -0.271 137 HH22 ARG 20 1HH2 ARG 20 -11.346 -9.480 0.307 138 H SER 21 H SER 21 -7.856 -0.107 -1.187 139 HA SER 21 HA SER 21 -8.790 0.832 -3.869 140 HB2 SER 21 1HB SER 21 -10.369 1.653 -2.149 141 HB3 SER 21 2HB SER 21 -9.020 2.469 -1.327 142 HG SER 21 HG SER 21 -10.079 3.886 -2.785 143 H LYS 22 H LYS 22 -7.390 1.957 -5.033 144 HA LYS 22 HA LYS 22 -4.630 2.005 -4.302 145 HB2 LYS 22 1HB LYS 22 -4.234 2.948 -6.463 146 HB3 LYS 22 2HB LYS 22 -5.482 1.717 -6.592 147 HG2 LYS 22 1HG LYS 22 -7.211 3.616 -6.523 148 HG3 LYS 22 2HG LYS 22 -5.855 4.733 -6.715 149 HD2 LYS 22 1HD LYS 22 -6.684 2.517 -8.640 150 HD3 LYS 22 2HD LYS 22 -6.939 4.254 -8.859 151 HE2 LYS 22 1HE LYS 22 -4.451 4.589 -8.848 152 HE3 LYS 22 2HE LYS 22 -4.240 2.835 -8.725 153 HZ1 LYS 22 3HZ LYS 22 -5.392 2.613 -10.863 154 HZ2 LYS 22 1HZ LYS 22 -4.088 3.580 -11.029 155 HZ3 LYS 22 2HZ LYS 22 -5.583 4.232 -10.979 156 H SER 23 H SER 23 -7.072 4.543 -4.049 157 HA SER 23 HA SER 23 -5.207 6.712 -3.564 158 HB2 SER 23 1HB SER 23 -7.201 7.921 -2.762 159 HB3 SER 23 2HB SER 23 -7.456 7.165 -4.346 160 HG SER 23 HG SER 23 -9.223 6.805 -2.921 161 H ASN 24 H ASN 24 -6.727 4.262 -1.520 162 HA ASN 24 HA ASN 24 -5.911 5.461 0.994 163 HB2 ASN 24 1HB ASN 24 -7.872 3.899 0.610 164 HB3 ASN 24 2HB ASN 24 -6.707 2.587 0.390 165 HD21 ASN 24 1HD2 ASN 24 -7.297 5.251 2.802 166 HD22 ASN 24 2HD2 ASN 24 -7.116 4.168 4.171 167 H LEU 25 H LEU 25 -4.560 2.749 -1.021 168 HA LEU 25 HA LEU 25 -2.194 2.481 0.492 169 HB2 LEU 25 1HB LEU 25 -2.772 0.870 -1.285 170 HB3 LEU 25 2HB LEU 25 -2.538 2.105 -2.516 171 HG LEU 25 HG LEU 25 -0.187 2.253 -2.014 172 HD11 LEU 25 1HD1 LEU 25 -0.146 1.840 0.422 173 HD12 LEU 25 2HD1 LEU 25 0.960 0.755 -0.404 174 HD13 LEU 25 3HD1 LEU 25 -0.620 0.147 0.127 175 HD21 LEU 25 3HD2 LEU 25 -0.835 0.480 -3.579 176 HD22 LEU 25 1HD2 LEU 25 -0.888 -0.670 -2.211 177 HD23 LEU 25 2HD2 LEU 25 0.640 0.083 -2.680 178 H LYS 26 H LYS 26 -2.781 4.681 -2.251 179 HA LYS 26 HA LYS 26 -0.265 5.960 -2.345 180 HB2 LYS 26 1HB LYS 26 -2.044 6.286 -3.972 181 HB3 LYS 26 2HB LYS 26 -3.027 7.159 -2.808 182 HG2 LYS 26 1HG LYS 26 -0.250 8.162 -3.483 183 HG3 LYS 26 2HG LYS 26 -1.535 8.382 -4.653 184 HD2 LYS 26 1HD LYS 26 -1.584 9.464 -1.802 185 HD3 LYS 26 2HD LYS 26 -1.173 10.383 -3.233 186 HE2 LYS 26 1HE LYS 26 -3.886 9.065 -2.740 187 HE3 LYS 26 2HE LYS 26 -3.497 10.743 -2.374 188 HZ1 LYS 26 3HZ LYS 26 -3.423 9.563 -5.102 189 HZ2 LYS 26 1HZ LYS 26 -3.034 11.108 -4.736 190 HZ3 LYS 26 2HZ LYS 26 -4.561 10.585 -4.531 191 H ALA 27 H ALA 27 -2.857 6.544 -0.003 192 HA ALA 27 HA ALA 27 -1.569 8.846 1.236 193 HB1 ALA 27 1HB ALA 27 -4.015 8.447 1.318 194 HB2 ALA 27 2HB ALA 27 -3.741 6.978 2.284 195 HB3 ALA 27 3HB ALA 27 -3.308 8.567 2.943 196 H HIS 28 H HIS 28 -1.573 5.331 1.841 197 HA HIS 28 HA HIS 28 0.077 5.373 4.210 198 HB2 HIS 28 1HB HIS 28 -1.305 3.515 3.816 199 HB3 HIS 28 2HB HIS 28 -0.692 3.263 2.192 200 HD1 HIS 28 1HD HIS 28 0.285 2.632 5.821 201 HD2 HIS 28 2HD HIS 28 1.665 2.040 1.890 202 HE1 HIS 28 1HE HIS 28 2.251 1.047 6.017 203 H MET 29 H MET 29 0.892 5.029 0.706 204 HA MET 29 HA MET 29 3.713 4.744 1.108 205 HB2 MET 29 1HB MET 29 2.216 5.851 -1.303 206 HB3 MET 29 2HB MET 29 3.901 5.324 -1.281 207 HG2 MET 29 1HG MET 29 1.427 3.618 -0.917 208 HG3 MET 29 2HG MET 29 2.568 3.551 -2.226 209 HE1 MET 29 3HE MET 29 5.626 1.759 -0.649 210 HE2 MET 29 1HE MET 29 4.924 2.497 -2.105 211 HE3 MET 29 2HE MET 29 5.420 3.527 -0.735 212 H ASN 30 H ASN 30 1.708 7.616 1.071 213 HA ASN 30 HA ASN 30 3.899 9.521 0.931 214 HB2 ASN 30 1HB ASN 30 0.970 9.670 1.627 215 HB3 ASN 30 2HB ASN 30 2.030 10.967 2.161 216 HD21 ASN 30 1HD2 ASN 30 0.967 9.216 -0.788 217 HD22 ASN 30 2HD2 ASN 30 1.366 10.563 -1.855 218 H ARG 31 H ARG 31 2.546 7.630 3.623 219 HA ARG 31 HA ARG 31 3.959 9.072 5.721 220 HB2 ARG 31 1HB ARG 31 3.014 6.180 5.727 221 HB3 ARG 31 2HB ARG 31 3.561 7.116 7.111 222 HG2 ARG 31 1HG ARG 31 1.676 8.735 6.764 223 HG3 ARG 31 2HG ARG 31 1.107 7.747 5.414 224 HD2 ARG 31 1HD ARG 31 -0.214 7.185 7.314 225 HD3 ARG 31 2HD ARG 31 0.847 5.808 6.964 226 HE ARG 31 HE ARG 31 2.106 7.521 8.890 227 HH11 ARG 31 2HH1 ARG 31 -0.600 5.299 8.780 228 HH12 ARG 31 1HH1 ARG 31 -0.478 4.927 10.479 229 HH21 ARG 31 2HH2 ARG 31 2.209 6.997 11.046 230 HH22 ARG 31 1HH2 ARG 31 1.067 5.872 11.722 231 H HIS 32 H HIS 32 4.762 6.146 3.809 232 HA HIS 32 HA HIS 32 7.402 5.791 4.867 233 HB2 HIS 32 1HB HIS 32 6.191 5.107 2.158 234 HB3 HIS 32 2HB HIS 32 7.827 4.682 2.619 235 HD1 HIS 32 1HD HIS 32 7.879 3.135 5.079 236 HD2 HIS 32 2HD HIS 32 4.619 3.104 2.435 237 HE1 HIS 32 1HE HIS 32 6.731 0.902 5.438 238 H SER 33 H SER 33 6.206 7.866 2.209 239 HA SER 33 HA SER 33 8.755 8.721 1.261 240 HB2 SER 33 1HB SER 33 6.537 8.876 0.076 241 HB3 SER 33 2HB SER 33 6.137 10.256 1.113 242 HG SER 33 HG SER 33 7.081 10.871 -0.916 243 H THR 34 H THR 34 6.555 10.254 3.668 244 HA THR 34 HA THR 34 8.370 12.512 4.034 245 HB THR 34 HB THR 34 5.878 12.646 4.100 246 HG1 THR 34 1HG THR 34 5.938 14.226 5.678 247 HG21 THR 34 3HG2 THR 34 4.682 12.209 6.142 248 HG22 THR 34 1HG2 THR 34 6.160 11.678 6.978 249 HG23 THR 34 2HG2 THR 34 5.482 10.708 5.657 250 H GLU 35 H GLU 35 7.991 9.430 5.701 251 HA GLU 35 HA GLU 35 9.389 10.231 8.103 252 HB2 GLU 35 1HB GLU 35 7.832 8.340 8.013 253 HB3 GLU 35 2HB GLU 35 8.925 7.466 6.926 254 HG2 GLU 35 1HG GLU 35 10.664 7.440 8.694 255 HG3 GLU 35 2HG GLU 35 9.624 8.401 9.747 256 H LYS 36 H LYS 36 11.462 10.628 8.375 257 HA LYS 36 HA LYS 36 13.611 9.115 7.166 258 HB2 LYS 36 1HB LYS 36 14.759 11.256 6.291 259 HB3 LYS 36 2HB LYS 36 13.551 10.460 5.312 260 HG2 LYS 36 1HG LYS 36 13.319 12.835 5.122 261 HG3 LYS 36 2HG LYS 36 11.880 12.144 5.845 262 HD2 LYS 36 1HD LYS 36 12.704 12.930 8.111 263 HD3 LYS 36 2HD LYS 36 14.113 13.624 7.300 264 HE2 LYS 36 1HE LYS 36 12.655 15.448 7.536 265 HE3 LYS 36 2HE LYS 36 12.448 14.950 5.856 266 HZ1 LYS 36 3HZ LYS 36 10.296 15.309 6.862 267 HZ2 LYS 36 1HZ LYS 36 10.624 14.326 8.121 268 HZ3 LYS 36 2HZ LYS 36 10.425 13.693 6.632 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -0.026 -15.426 -6.583 2 H2 GLY 1 2H GLY 1 -0.621 -15.940 -8.020 3 H3 GLY 1 3H GLY 1 0.759 -16.596 -7.424 4 HA2 GLY 1 1HA GLY 1 -1.079 -18.125 -7.130 5 HA3 GLY 1 2HA GLY 1 -0.409 -17.586 -5.579 6 H SER 2 H SER 2 -3.132 -18.575 -6.263 7 HA SER 2 HA SER 2 -5.035 -16.523 -6.496 8 HB2 SER 2 1HB SER 2 -5.395 -19.207 -5.117 9 HB3 SER 2 2HB SER 2 -6.664 -18.212 -5.853 10 HG SER 2 HG SER 2 -5.718 -18.566 -7.882 11 H SER 3 H SER 3 -3.299 -17.413 -3.593 12 HA SER 3 HA SER 3 -5.116 -16.352 -1.628 13 HB2 SER 3 1HB SER 3 -3.036 -16.208 -0.237 14 HB3 SER 3 2HB SER 3 -3.326 -17.799 -0.958 15 HG SER 3 HG SER 3 -1.136 -17.111 -1.195 16 H GLY 4 H GLY 4 -2.823 -14.812 -3.847 17 HA2 GLY 4 1HA GLY 4 -2.761 -12.209 -2.566 18 HA3 GLY 4 2HA GLY 4 -2.272 -12.604 -4.219 19 H SER 5 H SER 5 -4.614 -13.545 -5.372 20 HA SER 5 HA SER 5 -6.128 -11.104 -5.780 21 HB2 SER 5 1HB SER 5 -7.435 -12.481 -7.376 22 HB3 SER 5 2HB SER 5 -5.686 -12.506 -7.659 23 HG SER 5 HG SER 5 -6.671 -14.599 -7.774 24 H SER 6 H SER 6 -6.706 -14.037 -3.877 25 HA SER 6 HA SER 6 -9.432 -13.325 -3.120 26 HB2 SER 6 1HB SER 6 -7.430 -15.137 -1.715 27 HB3 SER 6 2HB SER 6 -9.165 -15.029 -1.380 28 HG SER 6 HG SER 6 -7.860 -15.974 -3.710 29 H GLY 7 H GLY 7 -6.339 -12.156 -2.139 30 HA2 GLY 7 1HA GLY 7 -7.163 -11.114 0.496 31 HA3 GLY 7 2HA GLY 7 -5.580 -11.009 -0.263 32 H LYS 8 H LYS 8 -5.071 -8.933 -0.425 33 HA LYS 8 HA LYS 8 -7.118 -6.929 -1.247 34 HB2 LYS 8 1HB LYS 8 -4.699 -6.735 0.528 35 HB3 LYS 8 2HB LYS 8 -5.238 -5.322 -0.364 36 HG2 LYS 8 1HG LYS 8 -6.196 -5.185 1.796 37 HG3 LYS 8 2HG LYS 8 -7.476 -5.469 0.633 38 HD2 LYS 8 1HD LYS 8 -7.896 -6.690 2.673 39 HD3 LYS 8 2HD LYS 8 -7.616 -7.843 1.368 40 HE2 LYS 8 1HE LYS 8 -5.293 -8.196 2.154 41 HE3 LYS 8 2HE LYS 8 -5.499 -6.938 3.381 42 HZ1 LYS 8 3HZ LYS 8 -7.035 -9.487 3.306 43 HZ2 LYS 8 1HZ LYS 8 -7.195 -8.320 4.439 44 HZ3 LYS 8 2HZ LYS 8 -5.802 -9.157 4.324 45 HA PRO 9 HA PRO 9 -5.048 -6.585 -5.128 46 HB2 PRO 9 1HB PRO 9 -6.041 -4.221 -6.073 47 HB3 PRO 9 2HB PRO 9 -7.019 -5.713 -5.910 48 HG2 PRO 9 1HG PRO 9 -6.757 -3.457 -3.884 49 HG3 PRO 9 2HG PRO 9 -8.277 -4.139 -4.578 50 HD2 PRO 9 1HD PRO 9 -7.260 -4.936 -2.206 51 HD3 PRO 9 2HD PRO 9 -7.960 -6.152 -3.337 52 H PHE 10 H PHE 10 -4.860 -3.696 -2.979 53 HA PHE 10 HA PHE 10 -2.309 -2.857 -4.306 54 HB2 PHE 10 1HB PHE 10 -4.199 -1.195 -2.646 55 HB3 PHE 10 2HB PHE 10 -2.822 -0.645 -3.567 56 HD1 PHE 10 1HD PHE 10 -2.743 -1.179 -6.110 57 HD2 PHE 10 2HD PHE 10 -6.340 -1.187 -3.742 58 HE1 PHE 10 1HE PHE 10 -4.090 -1.087 -8.172 59 HE2 PHE 10 2HE PHE 10 -7.705 -1.137 -5.816 60 HZ PHE 10 HZ PHE 10 -6.584 -1.058 -8.044 61 H LYS 11 H LYS 11 -0.998 -4.121 -3.415 62 HA LYS 11 HA LYS 11 -0.447 -4.089 -0.493 63 HB2 LYS 11 1HB LYS 11 -0.747 -6.219 -1.854 64 HB3 LYS 11 2HB LYS 11 0.747 -5.831 -2.688 65 HG2 LYS 11 1HG LYS 11 0.419 -6.444 0.287 66 HG3 LYS 11 2HG LYS 11 1.044 -7.521 -0.960 67 HD2 LYS 11 1HD LYS 11 2.857 -5.729 -1.365 68 HD3 LYS 11 2HD LYS 11 2.324 -5.042 0.195 69 HE2 LYS 11 1HE LYS 11 2.795 -7.201 1.299 70 HE3 LYS 11 2HE LYS 11 3.341 -7.872 -0.248 71 HZ1 LYS 11 3HZ LYS 11 4.551 -5.546 1.148 72 HZ2 LYS 11 1HZ LYS 11 5.048 -6.105 -0.300 73 HZ3 LYS 11 2HZ LYS 11 5.230 -7.040 1.037 74 H CYS 12 H CYS 12 0.962 -2.761 0.227 75 HA CYS 12 HA CYS 12 2.527 -0.836 -1.035 76 HB2 CYS 12 1HB CYS 12 1.867 -0.801 1.276 77 HB3 CYS 12 2HB CYS 12 2.768 -2.282 1.616 78 H SER 13 H SER 13 4.606 -0.628 -1.743 79 HA SER 13 HA SER 13 5.985 -3.052 -2.621 80 HB2 SER 13 1HB SER 13 7.514 -1.463 -3.741 81 HB3 SER 13 2HB SER 13 5.811 -1.212 -4.152 82 HG SER 13 HG SER 13 6.916 0.757 -3.687 83 H LEU 14 H LEU 14 6.059 -1.374 0.272 84 HA LEU 14 HA LEU 14 8.960 -1.953 0.809 85 HB2 LEU 14 1HB LEU 14 7.155 0.130 2.083 86 HB3 LEU 14 2HB LEU 14 8.885 -0.050 2.321 87 HG LEU 14 HG LEU 14 7.573 0.695 -0.329 88 HD11 LEU 14 1HD1 LEU 14 8.463 2.954 0.113 89 HD12 LEU 14 2HD1 LEU 14 8.963 2.420 1.742 90 HD13 LEU 14 3HD1 LEU 14 7.242 2.433 1.281 91 HD21 LEU 14 3HD2 LEU 14 9.863 1.337 -1.014 92 HD22 LEU 14 1HD2 LEU 14 9.762 -0.388 -0.652 93 HD23 LEU 14 2HD2 LEU 14 10.499 0.719 0.530 94 H CYS 15 H CYS 15 5.718 -1.979 2.225 95 HA CYS 15 HA CYS 15 6.674 -3.860 4.346 96 HB2 CYS 15 1HB CYS 15 5.589 -2.714 6.043 97 HB3 CYS 15 2HB CYS 15 6.408 -1.486 5.112 98 H GLU 16 H GLU 16 4.533 -4.552 5.640 99 HA GLU 16 HA GLU 16 3.134 -6.286 3.712 100 HB2 GLU 16 1HB GLU 16 4.321 -6.994 5.922 101 HB3 GLU 16 2HB GLU 16 2.867 -6.406 6.728 102 HG2 GLU 16 1HG GLU 16 1.512 -8.063 5.458 103 HG3 GLU 16 2HG GLU 16 2.937 -8.531 4.532 104 H TYR 17 H TYR 17 2.480 -3.260 4.465 105 HA TYR 17 HA TYR 17 -0.334 -3.334 5.111 106 HB2 TYR 17 1HB TYR 17 1.077 -1.375 5.362 107 HB3 TYR 17 2HB TYR 17 1.410 -1.323 3.650 108 HD1 TYR 17 1HD TYR 17 -0.374 -0.632 2.037 109 HD2 TYR 17 2HD TYR 17 -1.053 -0.548 6.288 110 HE1 TYR 17 1HE TYR 17 -2.373 0.843 1.687 111 HE2 TYR 17 2HE TYR 17 -3.030 0.929 5.940 112 HH TYR 17 HH TYR 17 -4.330 2.035 4.421 113 H ALA 18 H ALA 18 -2.116 -3.536 3.893 114 HA ALA 18 HA ALA 18 -1.984 -3.069 1.056 115 HB1 ALA 18 1HB ALA 18 -1.415 -5.512 1.250 116 HB2 ALA 18 2HB ALA 18 -3.004 -5.782 1.983 117 HB3 ALA 18 3HB ALA 18 -2.886 -5.181 0.299 118 H THR 19 H THR 19 -3.998 -2.724 0.051 119 HA THR 19 HA THR 19 -6.438 -2.590 1.749 120 HB THR 19 HB THR 19 -5.298 -0.447 2.096 121 HG1 THR 19 1HG THR 19 -7.549 -0.439 1.947 122 HG21 THR 19 3HG2 THR 19 -5.390 -0.073 -0.906 123 HG22 THR 19 1HG2 THR 19 -3.933 -0.301 0.091 124 HG23 THR 19 2HG2 THR 19 -4.938 1.121 0.329 125 H ARG 20 H ARG 20 -8.382 -2.103 0.561 126 HA ARG 20 HA ARG 20 -8.541 -3.335 -2.112 127 HB2 ARG 20 1HB ARG 20 -10.670 -2.193 -0.285 128 HB3 ARG 20 2HB ARG 20 -10.985 -3.010 -1.805 129 HG2 ARG 20 1HG ARG 20 -9.715 -4.280 0.657 130 HG3 ARG 20 2HG ARG 20 -11.388 -4.448 0.160 131 HD2 ARG 20 1HD ARG 20 -8.979 -5.508 -1.371 132 HD3 ARG 20 2HD ARG 20 -10.081 -6.445 -0.377 133 HE ARG 20 HE ARG 20 -11.544 -5.027 -2.403 134 HH11 ARG 20 2HH1 ARG 20 -9.567 -7.966 -2.062 135 HH12 ARG 20 1HH1 ARG 20 -10.290 -8.657 -3.474 136 HH21 ARG 20 2HH2 ARG 20 -12.389 -6.045 -4.164 137 HH22 ARG 20 1HH2 ARG 20 -11.836 -7.631 -4.605 138 H SER 21 H SER 21 -7.981 -0.157 -1.043 139 HA SER 21 HA SER 21 -8.976 0.959 -3.653 140 HB2 SER 21 1HB SER 21 -8.942 2.279 -0.921 141 HB3 SER 21 2HB SER 21 -9.400 3.062 -2.447 142 HG SER 21 HG SER 21 -11.227 2.269 -1.289 143 H LYS 22 H LYS 22 -7.437 1.710 -4.949 144 HA LYS 22 HA LYS 22 -4.703 1.880 -4.235 145 HB2 LYS 22 1HB LYS 22 -4.318 2.696 -6.450 146 HB3 LYS 22 2HB LYS 22 -5.565 1.464 -6.500 147 HG2 LYS 22 1HG LYS 22 -7.302 3.337 -6.554 148 HG3 LYS 22 2HG LYS 22 -5.961 4.468 -6.771 149 HD2 LYS 22 1HD LYS 22 -6.690 2.153 -8.619 150 HD3 LYS 22 2HD LYS 22 -7.030 3.867 -8.904 151 HE2 LYS 22 1HE LYS 22 -4.568 4.334 -8.885 152 HE3 LYS 22 2HE LYS 22 -4.259 2.603 -8.687 153 HZ1 LYS 22 3HZ LYS 22 -5.650 3.827 -11.010 154 HZ2 LYS 22 1HZ LYS 22 -5.371 2.227 -10.825 155 HZ3 LYS 22 2HZ LYS 22 -4.122 3.259 -11.018 156 H SER 23 H SER 23 -7.131 4.418 -4.159 157 HA SER 23 HA SER 23 -5.391 6.671 -3.748 158 HB2 SER 23 1HB SER 23 -7.493 7.702 -2.829 159 HB3 SER 23 2HB SER 23 -7.662 7.003 -4.450 160 HG SER 23 HG SER 23 -9.394 6.407 -3.040 161 H ASN 24 H ASN 24 -6.699 4.205 -1.563 162 HA ASN 24 HA ASN 24 -5.844 5.573 0.873 163 HB2 ASN 24 1HB ASN 24 -7.823 4.009 0.672 164 HB3 ASN 24 2HB ASN 24 -6.688 2.679 0.456 165 HD21 ASN 24 1HD2 ASN 24 -7.220 1.585 2.311 166 HD22 ASN 24 2HD2 ASN 24 -6.995 2.247 3.931 167 H LEU 25 H LEU 25 -4.578 2.773 -1.081 168 HA LEU 25 HA LEU 25 -2.190 2.504 0.393 169 HB2 LEU 25 1HB LEU 25 -2.797 0.870 -1.353 170 HB3 LEU 25 2HB LEU 25 -2.572 2.086 -2.604 171 HG LEU 25 HG LEU 25 -0.222 2.248 -2.107 172 HD11 LEU 25 1HD1 LEU 25 0.942 0.753 -0.511 173 HD12 LEU 25 2HD1 LEU 25 -0.634 0.138 0.030 174 HD13 LEU 25 3HD1 LEU 25 -0.162 1.834 0.321 175 HD21 LEU 25 3HD2 LEU 25 0.620 0.096 -2.793 176 HD22 LEU 25 1HD2 LEU 25 -0.871 0.472 -3.677 177 HD23 LEU 25 2HD2 LEU 25 -0.890 -0.680 -2.310 178 H LYS 26 H LYS 26 -2.787 4.656 -2.387 179 HA LYS 26 HA LYS 26 -0.290 5.967 -2.527 180 HB2 LYS 26 1HB LYS 26 -2.081 6.250 -4.130 181 HB3 LYS 26 2HB LYS 26 -3.101 7.061 -2.960 182 HG2 LYS 26 1HG LYS 26 -0.389 8.199 -3.721 183 HG3 LYS 26 2HG LYS 26 -1.767 8.397 -4.792 184 HD2 LYS 26 1HD LYS 26 -1.597 9.481 -1.948 185 HD3 LYS 26 2HD LYS 26 -1.426 10.383 -3.449 186 HE2 LYS 26 1HE LYS 26 -3.765 9.718 -4.081 187 HE3 LYS 26 2HE LYS 26 -3.941 8.934 -2.504 188 HZ1 LYS 26 3HZ LYS 26 -3.548 11.105 -1.458 189 HZ2 LYS 26 1HZ LYS 26 -4.826 11.192 -2.471 190 HZ3 LYS 26 2HZ LYS 26 -3.394 11.826 -2.919 191 H ALA 27 H ALA 27 -2.865 6.535 -0.161 192 HA ALA 27 HA ALA 27 -1.564 8.848 1.056 193 HB1 ALA 27 1HB ALA 27 -4.022 8.462 1.127 194 HB2 ALA 27 2HB ALA 27 -3.754 7.013 2.124 195 HB3 ALA 27 3HB ALA 27 -3.311 8.615 2.748 196 H HIS 28 H HIS 28 -1.655 5.333 1.721 197 HA HIS 28 HA HIS 28 -0.038 5.368 4.099 198 HB2 HIS 28 1HB HIS 28 -1.374 3.483 3.672 199 HB3 HIS 28 2HB HIS 28 -0.736 3.259 2.055 200 HD1 HIS 28 1HD HIS 28 0.206 2.587 5.684 201 HD2 HIS 28 2HD HIS 28 1.695 2.149 1.774 202 HE1 HIS 28 1HE HIS 28 2.270 1.135 5.899 203 H MET 29 H MET 29 0.869 5.075 0.615 204 HA MET 29 HA MET 29 3.645 4.658 1.085 205 HB2 MET 29 1HB MET 29 2.286 5.949 -1.314 206 HB3 MET 29 2HB MET 29 3.955 5.378 -1.263 207 HG2 MET 29 1HG MET 29 1.431 3.718 -1.085 208 HG3 MET 29 2HG MET 29 2.628 3.688 -2.341 209 HE1 MET 29 3HE MET 29 5.405 3.515 -0.745 210 HE2 MET 29 1HE MET 29 5.573 1.742 -0.729 211 HE3 MET 29 2HE MET 29 4.952 2.558 -2.181 212 H ASN 30 H ASN 30 1.808 7.648 1.137 213 HA ASN 30 HA ASN 30 4.146 9.390 1.257 214 HB2 ASN 30 1HB ASN 30 1.166 9.749 1.700 215 HB3 ASN 30 2HB ASN 30 2.316 11.003 2.163 216 HD21 ASN 30 1HD2 ASN 30 1.094 9.173 -0.688 217 HD22 ASN 30 2HD2 ASN 30 1.677 10.385 -1.818 218 H ARG 31 H ARG 31 2.806 7.236 3.596 219 HA ARG 31 HA ARG 31 3.831 8.715 5.945 220 HB2 ARG 31 1HB ARG 31 2.981 5.801 5.776 221 HB3 ARG 31 2HB ARG 31 3.206 6.769 7.228 222 HG2 ARG 31 1HG ARG 31 1.311 8.233 6.596 223 HG3 ARG 31 2HG ARG 31 1.071 7.286 5.118 224 HD2 ARG 31 1HD ARG 31 0.713 5.246 6.530 225 HD3 ARG 31 2HD ARG 31 0.776 6.286 7.969 226 HE ARG 31 HE ARG 31 -1.124 7.391 6.168 227 HH11 ARG 31 2HH2 ARG 31 -0.869 4.567 8.226 228 HH12 ARG 31 1HH2 ARG 31 -2.597 4.382 8.339 229 HH21 ARG 31 2HH1 ARG 31 -3.319 7.110 6.375 230 HH22 ARG 31 1HH1 ARG 31 -3.941 5.791 7.321 231 H HIS 32 H HIS 32 5.018 6.308 3.685 232 HA HIS 32 HA HIS 32 7.434 5.691 5.196 233 HB2 HIS 32 1HB HIS 32 6.589 5.174 2.321 234 HB3 HIS 32 2HB HIS 32 8.147 4.694 2.968 235 HD1 HIS 32 1HD HIS 32 7.930 2.993 5.264 236 HD2 HIS 32 2HD HIS 32 4.843 3.246 2.430 237 HE1 HIS 32 1HE HIS 32 6.629 0.830 5.472 238 H SER 33 H SER 33 6.502 8.437 3.406 239 HA SER 33 HA SER 33 9.047 9.247 2.324 240 HB2 SER 33 1HB SER 33 6.512 10.838 2.856 241 HB3 SER 33 2HB SER 33 7.867 11.356 1.856 242 HG SER 33 HG SER 33 7.452 9.621 0.445 243 H THR 34 H THR 34 9.878 8.652 4.703 244 HA THR 34 HA THR 34 10.612 11.164 6.075 245 HB THR 34 HB THR 34 8.455 10.481 7.066 246 HG1 THR 34 1HG THR 34 9.149 10.624 9.171 247 HG21 THR 34 3HG2 THR 34 9.912 7.991 8.042 248 HG22 THR 34 1HG2 THR 34 8.636 8.028 6.805 249 HG23 THR 34 2HG2 THR 34 8.264 8.504 8.466 250 H GLU 35 H GLU 35 11.996 10.427 8.129 251 HA GLU 35 HA GLU 35 14.325 9.018 7.023 252 HB2 GLU 35 1HB GLU 35 13.844 10.343 9.721 253 HB3 GLU 35 2HB GLU 35 15.381 9.653 9.185 254 HG2 GLU 35 1HG GLU 35 15.413 11.232 7.257 255 HG3 GLU 35 2HG GLU 35 13.924 11.973 7.847 256 H LYS 36 H LYS 36 15.472 7.331 8.130 257 HA LYS 36 HA LYS 36 13.871 5.475 9.831 258 HB2 LYS 36 1HB LYS 36 15.550 4.650 7.417 259 HB3 LYS 36 2HB LYS 36 14.873 3.572 8.628 260 HG2 LYS 36 1HG LYS 36 13.270 3.338 7.040 261 HG3 LYS 36 2HG LYS 36 12.560 4.665 7.958 262 HD2 LYS 36 1HD LYS 36 13.599 6.259 6.257 263 HD3 LYS 36 2HD LYS 36 14.133 4.844 5.340 264 HE2 LYS 36 1HE LYS 36 11.805 4.116 5.040 265 HE3 LYS 36 2HE LYS 36 11.239 5.409 6.112 266 HZ1 LYS 36 3HZ LYS 36 12.534 5.825 3.472 267 HZ2 LYS 36 1HZ LYS 36 12.128 7.023 4.527 268 HZ3 LYS 36 2HZ LYS 36 10.956 6.118 3.851 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 8.100 -15.827 4.227 2 H2 GLY 1 2H GLY 1 7.392 -14.423 3.769 3 H3 GLY 1 3H GLY 1 8.958 -14.432 4.251 4 HA2 GLY 1 1HA GLY 1 8.860 -14.230 1.864 5 HA3 GLY 1 2HA GLY 1 9.602 -15.764 2.353 6 H SER 2 H SER 2 9.060 -16.854 0.538 7 HA SER 2 HA SER 2 8.041 -18.150 -0.915 8 HB2 SER 2 1HB SER 2 6.562 -19.772 -0.103 9 HB3 SER 2 2HB SER 2 7.628 -19.318 1.232 10 HG SER 2 HG SER 2 5.454 -19.445 1.911 11 H SER 3 H SER 3 5.904 -15.579 -0.013 12 HA SER 3 HA SER 3 4.068 -14.650 -0.923 13 HB2 SER 3 1HB SER 3 5.032 -15.790 -3.562 14 HB3 SER 3 2HB SER 3 3.836 -14.499 -3.344 15 HG SER 3 HG SER 3 5.953 -13.684 -3.748 16 H GLY 4 H GLY 4 3.810 -17.332 0.190 17 HA2 GLY 4 1HA GLY 4 2.025 -18.937 -1.370 18 HA3 GLY 4 2HA GLY 4 2.414 -19.135 0.336 19 H SER 5 H SER 5 1.163 -16.045 0.075 20 HA SER 5 HA SER 5 -1.696 -16.793 0.154 21 HB2 SER 5 1HB SER 5 -0.815 -17.038 2.488 22 HB3 SER 5 2HB SER 5 -0.380 -15.319 2.465 23 HG SER 5 HG SER 5 -2.466 -15.739 3.393 24 H SER 6 H SER 6 -3.116 -15.074 -0.144 25 HA SER 6 HA SER 6 -2.242 -12.329 -0.577 26 HB2 SER 6 1HB SER 6 -1.610 -13.530 -2.722 27 HB3 SER 6 2HB SER 6 -3.336 -13.864 -2.970 28 HG SER 6 HG SER 6 -2.580 -11.929 -4.024 29 H GLY 7 H GLY 7 -4.223 -11.064 -1.534 30 HA2 GLY 7 1HA GLY 7 -6.863 -11.998 -1.369 31 HA3 GLY 7 2HA GLY 7 -6.480 -11.408 0.255 32 H LYS 8 H LYS 8 -4.824 -9.177 -0.573 33 HA LYS 8 HA LYS 8 -7.009 -7.312 -1.343 34 HB2 LYS 8 1HB LYS 8 -4.466 -6.977 0.253 35 HB3 LYS 8 2HB LYS 8 -5.334 -5.592 -0.400 36 HG2 LYS 8 1HG LYS 8 -5.964 -5.879 1.871 37 HG3 LYS 8 2HG LYS 8 -7.363 -6.211 0.848 38 HD2 LYS 8 1HD LYS 8 -7.169 -8.606 1.277 39 HD3 LYS 8 2HD LYS 8 -5.576 -8.385 2.018 40 HE2 LYS 8 1HE LYS 8 -7.119 -8.745 3.786 41 HE3 LYS 8 2HE LYS 8 -6.631 -7.049 3.842 42 HZ1 LYS 8 3HZ LYS 8 -8.749 -6.480 2.768 43 HZ2 LYS 8 1HZ LYS 8 -9.036 -7.328 4.127 44 HZ3 LYS 8 2HZ LYS 8 -9.180 -8.059 2.679 45 HA PRO 9 HA PRO 9 -5.125 -6.554 -5.249 46 HB2 PRO 9 1HB PRO 9 -6.202 -4.152 -5.982 47 HB3 PRO 9 2HB PRO 9 -7.135 -5.677 -5.888 48 HG2 PRO 9 1HG PRO 9 -6.873 -3.534 -3.755 49 HG3 PRO 9 2HG PRO 9 -8.384 -4.252 -4.412 50 HD2 PRO 9 1HD PRO 9 -7.282 -5.150 -2.110 51 HD3 PRO 9 2HD PRO 9 -7.950 -6.315 -3.297 52 H PHE 10 H PHE 10 -4.822 -3.811 -2.911 53 HA PHE 10 HA PHE 10 -2.274 -2.981 -4.257 54 HB2 PHE 10 1HB PHE 10 -4.117 -1.289 -2.575 55 HB3 PHE 10 2HB PHE 10 -2.741 -0.775 -3.518 56 HD1 PHE 10 1HD PHE 10 -2.724 -1.253 -6.062 57 HD2 PHE 10 2HD PHE 10 -6.276 -1.225 -3.628 58 HE1 PHE 10 1HE PHE 10 -4.107 -1.041 -8.095 59 HE2 PHE 10 2HE PHE 10 -7.675 -1.012 -5.672 60 HZ PHE 10 HZ PHE 10 -6.595 -0.914 -7.915 61 H LYS 11 H LYS 11 -1.006 -4.306 -3.350 62 HA LYS 11 HA LYS 11 -0.345 -4.213 -0.459 63 HB2 LYS 11 1HB LYS 11 -0.274 -6.398 -1.489 64 HB3 LYS 11 2HB LYS 11 0.672 -5.799 -2.841 65 HG2 LYS 11 1HG LYS 11 2.080 -7.132 -1.427 66 HG3 LYS 11 2HG LYS 11 2.629 -5.477 -1.434 67 HD2 LYS 11 1HD LYS 11 2.852 -6.336 0.798 68 HD3 LYS 11 2HD LYS 11 1.586 -5.131 0.805 69 HE2 LYS 11 1HE LYS 11 0.807 -6.922 2.162 70 HE3 LYS 11 2HE LYS 11 -0.123 -7.002 0.664 71 HZ1 LYS 11 3HZ LYS 11 1.347 -8.800 -0.079 72 HZ2 LYS 11 1HZ LYS 11 0.692 -9.193 1.361 73 HZ3 LYS 11 2HZ LYS 11 2.243 -8.699 1.284 74 H CYS 12 H CYS 12 0.972 -2.826 0.299 75 HA CYS 12 HA CYS 12 2.439 -0.769 -0.915 76 HB2 CYS 12 1HB CYS 12 1.835 -0.833 1.411 77 HB3 CYS 12 2HB CYS 12 2.768 -2.310 1.677 78 H SER 13 H SER 13 4.504 -0.480 -1.599 79 HA SER 13 HA SER 13 5.901 -2.782 -2.717 80 HB2 SER 13 1HB SER 13 6.707 0.151 -2.642 81 HB3 SER 13 2HB SER 13 7.419 -1.112 -3.663 82 HG SER 13 HG SER 13 5.854 0.102 -4.806 83 H LEU 14 H LEU 14 5.993 -1.386 0.346 84 HA LEU 14 HA LEU 14 8.901 -2.005 0.811 85 HB2 LEU 14 1HB LEU 14 7.144 0.090 2.140 86 HB3 LEU 14 2HB LEU 14 8.872 -0.116 2.357 87 HG LEU 14 HG LEU 14 7.547 0.678 -0.277 88 HD11 LEU 14 1HD1 LEU 14 7.234 2.402 1.337 89 HD12 LEU 14 2HD1 LEU 14 8.463 2.922 0.179 90 HD13 LEU 14 3HD1 LEU 14 8.953 2.372 1.804 91 HD21 LEU 14 3HD2 LEU 14 9.825 1.304 -0.978 92 HD22 LEU 14 1HD2 LEU 14 9.721 -0.423 -0.620 93 HD23 LEU 14 2HD2 LEU 14 10.476 0.677 0.557 94 H CYS 15 H CYS 15 5.671 -1.998 2.256 95 HA CYS 15 HA CYS 15 6.612 -3.931 4.334 96 HB2 CYS 15 1HB CYS 15 5.572 -2.809 6.062 97 HB3 CYS 15 2HB CYS 15 6.380 -1.564 5.147 98 H GLU 16 H GLU 16 4.486 -4.627 5.623 99 HA GLU 16 HA GLU 16 3.105 -6.345 3.686 100 HB2 GLU 16 1HB GLU 16 4.228 -7.062 5.899 101 HB3 GLU 16 2HB GLU 16 2.814 -6.389 6.711 102 HG2 GLU 16 1HG GLU 16 1.365 -8.023 5.551 103 HG3 GLU 16 2HG GLU 16 2.727 -8.565 4.567 104 H TYR 17 H TYR 17 2.423 -3.299 4.556 105 HA TYR 17 HA TYR 17 -0.379 -3.368 5.170 106 HB2 TYR 17 1HB TYR 17 1.069 -1.437 5.433 107 HB3 TYR 17 2HB TYR 17 1.376 -1.357 3.720 108 HD1 TYR 17 1HD TYR 17 -0.438 -0.655 2.137 109 HD2 TYR 17 2HD TYR 17 -1.015 -0.536 6.401 110 HE1 TYR 17 1HE TYR 17 -2.418 0.855 1.821 111 HE2 TYR 17 2HE TYR 17 -2.971 0.976 6.090 112 HH TYR 17 HH TYR 17 -4.290 2.095 4.598 113 H ALA 18 H ALA 18 -2.174 -3.638 3.966 114 HA ALA 18 HA ALA 18 -2.050 -3.082 1.133 115 HB1 ALA 18 1HB ALA 18 -1.447 -5.502 1.272 116 HB2 ALA 18 2HB ALA 18 -3.020 -5.824 2.028 117 HB3 ALA 18 3HB ALA 18 -2.937 -5.198 0.353 118 H THR 19 H THR 19 -4.027 -2.750 0.103 119 HA THR 19 HA THR 19 -6.492 -2.600 1.759 120 HB THR 19 HB THR 19 -5.315 -0.477 2.144 121 HG1 THR 19 1HG THR 19 -7.564 -0.430 1.977 122 HG21 THR 19 3HG2 THR 19 -3.930 -0.332 0.162 123 HG22 THR 19 1HG2 THR 19 -4.906 1.106 0.413 124 HG23 THR 19 2HG2 THR 19 -5.370 -0.058 -0.850 125 H ARG 20 H ARG 20 -8.392 -1.983 0.526 126 HA ARG 20 HA ARG 20 -8.559 -3.246 -2.129 127 HB2 ARG 20 1HB ARG 20 -10.566 -2.116 -0.158 128 HB3 ARG 20 2HB ARG 20 -11.051 -2.573 -1.779 129 HG2 ARG 20 1HG ARG 20 -9.667 -4.497 0.136 130 HG3 ARG 20 2HG ARG 20 -11.416 -4.325 0.018 131 HD2 ARG 20 1HD ARG 20 -9.610 -5.134 -2.305 132 HD3 ARG 20 2HD ARG 20 -10.488 -6.263 -1.296 133 HE ARG 20 HE ARG 20 -11.562 -4.511 -3.400 134 HH11 ARG 20 2HH1 ARG 20 -12.505 -6.552 -0.703 135 HH12 ARG 20 1HH1 ARG 20 -14.135 -6.719 -1.294 136 HH21 ARG 20 2HH2 ARG 20 -13.650 -4.771 -4.082 137 HH22 ARG 20 1HH2 ARG 20 -14.757 -5.737 -3.153 138 H SER 21 H SER 21 -7.972 -0.060 -1.055 139 HA SER 21 HA SER 21 -8.895 1.051 -3.694 140 HB2 SER 21 1HB SER 21 -8.860 2.394 -0.976 141 HB3 SER 21 2HB SER 21 -9.285 3.171 -2.513 142 HG SER 21 HG SER 21 -11.140 2.428 -1.370 143 H LYS 22 H LYS 22 -7.350 1.777 -4.979 144 HA LYS 22 HA LYS 22 -4.598 1.920 -4.336 145 HB2 LYS 22 1HB LYS 22 -5.686 1.698 -6.611 146 HB3 LYS 22 2HB LYS 22 -6.042 3.424 -6.564 147 HG2 LYS 22 1HG LYS 22 -3.551 3.849 -6.298 148 HG3 LYS 22 2HG LYS 22 -3.282 2.114 -6.502 149 HD2 LYS 22 1HD LYS 22 -4.598 3.966 -8.543 150 HD3 LYS 22 2HD LYS 22 -2.906 3.452 -8.570 151 HE2 LYS 22 1HE LYS 22 -3.614 1.085 -8.777 152 HE3 LYS 22 2HE LYS 22 -5.312 1.584 -8.770 153 HZ1 LYS 22 3HZ LYS 22 -4.496 1.270 -11.035 154 HZ2 LYS 22 1HZ LYS 22 -3.314 2.373 -10.826 155 HZ3 LYS 22 2HZ LYS 22 -4.880 2.839 -10.817 156 H SER 23 H SER 23 -7.047 4.478 -4.254 157 HA SER 23 HA SER 23 -5.348 6.714 -3.694 158 HB2 SER 23 1HB SER 23 -7.492 7.725 -2.862 159 HB3 SER 23 2HB SER 23 -7.594 7.031 -4.491 160 HG SER 23 HG SER 23 -9.376 6.418 -3.155 161 H ASN 24 H ASN 24 -6.611 4.163 -1.594 162 HA ASN 24 HA ASN 24 -5.877 5.573 0.878 163 HB2 ASN 24 1HB ASN 24 -7.843 3.995 0.655 164 HB3 ASN 24 2HB ASN 24 -6.691 2.670 0.461 165 HD21 ASN 24 1HD2 ASN 24 -7.162 1.573 2.324 166 HD22 ASN 24 2HD2 ASN 24 -6.969 2.257 3.940 167 H LEU 25 H LEU 25 -4.570 2.759 -1.025 168 HA LEU 25 HA LEU 25 -2.216 2.490 0.491 169 HB2 LEU 25 1HB LEU 25 -2.788 0.855 -1.257 170 HB3 LEU 25 2HB LEU 25 -2.572 2.071 -2.510 171 HG LEU 25 HG LEU 25 -0.222 2.240 -2.028 172 HD11 LEU 25 1HD1 LEU 25 0.958 0.806 -0.411 173 HD12 LEU 25 2HD1 LEU 25 -0.598 0.147 0.134 174 HD13 LEU 25 3HD1 LEU 25 -0.177 1.857 0.416 175 HD21 LEU 25 3HD2 LEU 25 0.604 0.070 -2.690 176 HD22 LEU 25 1HD2 LEU 25 -0.880 0.465 -3.572 177 HD23 LEU 25 2HD2 LEU 25 -0.922 -0.686 -2.203 178 H LYS 26 H LYS 26 -2.739 4.636 -2.295 179 HA LYS 26 HA LYS 26 -0.276 5.974 -2.479 180 HB2 LYS 26 1HB LYS 26 -2.266 6.348 -3.929 181 HB3 LYS 26 2HB LYS 26 -3.090 7.129 -2.587 182 HG2 LYS 26 1HG LYS 26 -1.039 8.831 -2.661 183 HG3 LYS 26 2HG LYS 26 -0.786 8.130 -4.262 184 HD2 LYS 26 1HD LYS 26 -2.155 10.023 -4.615 185 HD3 LYS 26 2HD LYS 26 -3.275 8.645 -4.697 186 HE2 LYS 26 1HE LYS 26 -3.986 9.067 -2.365 187 HE3 LYS 26 2HE LYS 26 -2.801 10.371 -2.222 188 HZ1 LYS 26 3HZ LYS 26 -5.019 11.233 -2.716 189 HZ2 LYS 26 1HZ LYS 26 -5.101 10.384 -4.108 190 HZ3 LYS 26 2HZ LYS 26 -4.009 11.586 -3.946 191 H ALA 27 H ALA 27 -2.857 6.598 -0.151 192 HA ALA 27 HA ALA 27 -1.580 8.847 1.170 193 HB1 ALA 27 1HB ALA 27 -4.038 8.452 1.156 194 HB2 ALA 27 2HB ALA 27 -3.797 7.012 2.175 195 HB3 ALA 27 3HB ALA 27 -3.379 8.616 2.798 196 H HIS 28 H HIS 28 -1.611 5.330 1.779 197 HA HIS 28 HA HIS 28 -0.026 5.400 4.191 198 HB2 HIS 28 1HB HIS 28 -1.350 3.511 3.805 199 HB3 HIS 28 2HB HIS 28 -0.742 3.262 2.181 200 HD1 HIS 28 1HD HIS 28 0.235 2.640 5.808 201 HD2 HIS 28 2HD HIS 28 1.681 2.101 1.892 202 HE1 HIS 28 1HE HIS 28 2.249 1.122 6.026 203 H MET 29 H MET 29 0.891 5.011 0.710 204 HA MET 29 HA MET 29 3.678 4.679 1.160 205 HB2 MET 29 1HB MET 29 2.249 5.880 -1.248 206 HB3 MET 29 2HB MET 29 3.926 5.336 -1.216 207 HG2 MET 29 1HG MET 29 1.438 3.635 -0.916 208 HG3 MET 29 2HG MET 29 2.579 3.609 -2.229 209 HE1 MET 29 3HE MET 29 5.631 1.763 -0.745 210 HE2 MET 29 1HE MET 29 4.902 2.525 -2.178 211 HE3 MET 29 2HE MET 29 5.420 3.531 -0.797 212 H ASN 30 H ASN 30 1.781 7.636 1.096 213 HA ASN 30 HA ASN 30 4.011 9.474 1.037 214 HB2 ASN 30 1HB ASN 30 1.100 9.659 1.834 215 HB3 ASN 30 2HB ASN 30 2.209 10.941 2.302 216 HD21 ASN 30 1HD2 ASN 30 0.989 9.183 -0.609 217 HD22 ASN 30 2HD2 ASN 30 1.345 10.536 -1.677 218 H ARG 31 H ARG 31 2.669 7.514 3.669 219 HA ARG 31 HA ARG 31 4.046 8.921 5.824 220 HB2 ARG 31 1HB ARG 31 3.093 6.033 5.823 221 HB3 ARG 31 2HB ARG 31 3.410 7.059 7.217 222 HG2 ARG 31 1HG ARG 31 1.512 8.534 6.603 223 HG3 ARG 31 2HG ARG 31 1.178 7.514 5.192 224 HD2 ARG 31 1HD ARG 31 0.843 5.562 6.713 225 HD3 ARG 31 2HD ARG 31 1.024 6.660 8.098 226 HE ARG 31 HE ARG 31 -0.958 7.704 6.321 227 HH11 ARG 31 2HH1 ARG 31 -0.635 5.068 8.606 228 HH12 ARG 31 1HH1 ARG 31 -2.352 4.985 8.890 229 HH21 ARG 31 2HH2 ARG 31 -3.133 7.558 6.747 230 HH22 ARG 31 1HH2 ARG 31 -3.723 6.361 7.863 231 H HIS 32 H HIS 32 4.938 6.308 3.631 232 HA HIS 32 HA HIS 32 7.496 5.769 4.954 233 HB2 HIS 32 1HB HIS 32 6.415 5.087 2.191 234 HB3 HIS 32 2HB HIS 32 8.016 4.645 2.753 235 HD1 HIS 32 1HD HIS 32 7.956 3.052 5.140 236 HD2 HIS 32 2HD HIS 32 4.716 3.165 2.475 237 HE1 HIS 32 1HE HIS 32 6.705 0.874 5.490 238 H SER 33 H SER 33 6.323 7.964 2.425 239 HA SER 33 HA SER 33 8.903 8.805 1.471 240 HB2 SER 33 1HB SER 33 6.717 8.933 0.236 241 HB3 SER 33 2HB SER 33 6.264 10.296 1.280 242 HG SER 33 HG SER 33 7.235 10.952 -0.718 243 H THR 34 H THR 34 6.736 10.149 4.012 244 HA THR 34 HA THR 34 8.305 12.518 4.487 245 HB THR 34 HB THR 34 7.083 12.548 6.713 246 HG1 THR 34 1HG THR 34 6.646 10.276 6.772 247 HG21 THR 34 3HG2 THR 34 5.408 12.344 4.177 248 HG22 THR 34 1HG2 THR 34 6.260 13.788 4.764 249 HG23 THR 34 2HG2 THR 34 4.915 13.115 5.701 250 H GLU 35 H GLU 35 9.816 13.038 6.012 251 HA GLU 35 HA GLU 35 11.508 10.879 7.058 252 HB2 GLU 35 1HB GLU 35 11.683 13.910 7.249 253 HB3 GLU 35 2HB GLU 35 12.888 12.810 7.899 254 HG2 GLU 35 1HG GLU 35 12.125 13.105 4.964 255 HG3 GLU 35 2HG GLU 35 13.578 13.727 5.734 256 H LYS 36 H LYS 36 12.247 10.801 9.263 257 HA LYS 36 HA LYS 36 10.318 11.673 11.368 258 HB2 LYS 36 1HB LYS 36 11.483 8.880 11.024 259 HB3 LYS 36 2HB LYS 36 10.671 9.471 12.477 260 HG2 LYS 36 1HG LYS 36 8.590 9.866 11.160 261 HG3 LYS 36 2HG LYS 36 9.400 9.264 9.708 262 HD2 LYS 36 1HD LYS 36 8.020 7.510 10.591 263 HD3 LYS 36 2HD LYS 36 9.716 7.051 10.793 264 HE2 LYS 36 1HE LYS 36 9.617 7.753 13.180 265 HE3 LYS 36 2HE LYS 36 7.935 8.256 12.967 266 HZ1 LYS 36 3HZ LYS 36 7.378 5.936 12.467 267 HZ2 LYS 36 1HZ LYS 36 8.086 6.034 13.933 268 HZ3 LYS 36 2HZ LYS 36 8.936 5.473 12.659 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -2.889 -27.915 -6.834 2 H2 GLY 1 2H GLY 1 -2.637 -26.720 -5.741 3 H3 GLY 1 3H GLY 1 -1.488 -27.064 -6.855 4 HA2 GLY 1 1HA GLY 1 -2.911 -26.338 -8.651 5 HA3 GLY 1 2HA GLY 1 -4.168 -25.982 -7.452 6 H SER 2 H SER 2 -2.930 -24.142 -9.353 7 HA SER 2 HA SER 2 -1.140 -22.382 -7.838 8 HB2 SER 2 1HB SER 2 -1.182 -21.044 -9.924 9 HB3 SER 2 2HB SER 2 -0.724 -22.735 -10.181 10 HG SER 2 HG SER 2 -2.269 -21.997 -11.728 11 H SER 3 H SER 3 -4.551 -22.647 -8.053 12 HA SER 3 HA SER 3 -5.224 -19.839 -7.779 13 HB2 SER 3 1HB SER 3 -7.509 -20.725 -7.345 14 HB3 SER 3 2HB SER 3 -6.780 -21.300 -8.852 15 HG SER 3 HG SER 3 -7.787 -22.994 -7.656 16 H GLY 4 H GLY 4 -6.383 -18.912 -5.979 17 HA2 GLY 4 1HA GLY 4 -6.492 -19.930 -3.335 18 HA3 GLY 4 2HA GLY 4 -4.978 -19.034 -3.511 19 H SER 5 H SER 5 -6.232 -17.837 -1.720 20 HA SER 5 HA SER 5 -8.375 -16.035 -2.450 21 HB2 SER 5 1HB SER 5 -8.002 -16.745 -0.137 22 HB3 SER 5 2HB SER 5 -6.430 -15.920 -0.119 23 HG SER 5 HG SER 5 -8.204 -14.680 0.781 24 H SER 6 H SER 6 -8.360 -13.910 -3.028 25 HA SER 6 HA SER 6 -5.983 -12.791 -4.291 26 HB2 SER 6 1HB SER 6 -8.692 -11.508 -3.780 27 HB3 SER 6 2HB SER 6 -7.456 -10.953 -4.920 28 HG SER 6 HG SER 6 -7.746 -12.888 -6.100 29 H GLY 7 H GLY 7 -7.196 -12.615 -1.056 30 HA2 GLY 7 1HA GLY 7 -6.643 -11.308 0.779 31 HA3 GLY 7 2HA GLY 7 -5.156 -10.887 -0.072 32 H LYS 8 H LYS 8 -4.897 -8.788 -0.389 33 HA LYS 8 HA LYS 8 -7.229 -7.068 -1.054 34 HB2 LYS 8 1HB LYS 8 -4.938 -6.382 0.806 35 HB3 LYS 8 2HB LYS 8 -5.915 -5.164 0.006 36 HG2 LYS 8 1HG LYS 8 -6.958 -5.280 2.028 37 HG3 LYS 8 2HG LYS 8 -7.966 -6.328 1.055 38 HD2 LYS 8 1HD LYS 8 -7.675 -7.286 3.251 39 HD3 LYS 8 2HD LYS 8 -6.883 -8.313 2.083 40 HE2 LYS 8 1HE LYS 8 -5.490 -8.190 4.012 41 HE3 LYS 8 2HE LYS 8 -4.667 -7.325 2.719 42 HZ1 LYS 8 3HZ LYS 8 -6.276 -6.006 4.853 43 HZ2 LYS 8 1HZ LYS 8 -5.347 -5.230 3.739 44 HZ3 LYS 8 2HZ LYS 8 -4.655 -6.149 4.892 45 HA PRO 9 HA PRO 9 -5.186 -6.547 -4.823 46 HB2 PRO 9 1HB PRO 9 -6.195 -4.193 -5.786 47 HB3 PRO 9 2HB PRO 9 -7.112 -5.725 -5.645 48 HG2 PRO 9 1HG PRO 9 -6.986 -3.456 -3.642 49 HG3 PRO 9 2HG PRO 9 -8.459 -4.223 -4.338 50 HD2 PRO 9 1HD PRO 9 -7.506 -4.977 -1.930 51 HD3 PRO 9 2HD PRO 9 -8.027 -6.236 -3.102 52 H PHE 10 H PHE 10 -4.880 -3.557 -2.805 53 HA PHE 10 HA PHE 10 -2.384 -2.843 -4.296 54 HB2 PHE 10 1HB PHE 10 -4.138 -1.115 -2.563 55 HB3 PHE 10 2HB PHE 10 -2.775 -0.601 -3.534 56 HD1 PHE 10 1HD PHE 10 -2.801 -0.905 -6.051 57 HD2 PHE 10 2HD PHE 10 -6.317 -1.315 -3.601 58 HE1 PHE 10 1HE PHE 10 -4.219 -0.768 -8.072 59 HE2 PHE 10 2HE PHE 10 -7.743 -1.253 -5.634 60 HZ PHE 10 HZ PHE 10 -6.697 -0.910 -7.876 61 H LYS 11 H LYS 11 -1.053 -4.132 -3.472 62 HA LYS 11 HA LYS 11 -0.359 -4.170 -0.598 63 HB2 LYS 11 1HB LYS 11 -0.581 -6.202 -2.197 64 HB3 LYS 11 2HB LYS 11 0.979 -5.723 -2.843 65 HG2 LYS 11 1HG LYS 11 0.370 -6.477 0.055 66 HG3 LYS 11 2HG LYS 11 1.055 -7.539 -1.160 67 HD2 LYS 11 1HD LYS 11 3.038 -5.986 -1.328 68 HD3 LYS 11 2HD LYS 11 2.370 -5.103 0.077 69 HE2 LYS 11 1HE LYS 11 2.353 -7.173 1.399 70 HE3 LYS 11 2HE LYS 11 2.998 -8.084 0.028 71 HZ1 LYS 11 3HZ LYS 11 4.672 -7.402 1.677 72 HZ2 LYS 11 1HZ LYS 11 4.408 -5.819 1.323 73 HZ3 LYS 11 2HZ LYS 11 5.029 -6.815 0.172 74 H CYS 12 H CYS 12 0.998 -2.821 0.165 75 HA CYS 12 HA CYS 12 2.530 -0.823 -1.040 76 HB2 CYS 12 1HB CYS 12 1.867 -0.859 1.270 77 HB3 CYS 12 2HB CYS 12 2.799 -2.329 1.571 78 H SER 13 H SER 13 4.605 -0.526 -1.644 79 HA SER 13 HA SER 13 6.065 -2.821 -2.704 80 HB2 SER 13 1HB SER 13 6.807 0.130 -2.661 81 HB3 SER 13 2HB SER 13 7.575 -1.136 -3.637 82 HG SER 13 HG SER 13 6.013 0.022 -4.844 83 H LEU 14 H LEU 14 6.075 -1.341 0.336 84 HA LEU 14 HA LEU 14 8.984 -1.913 0.861 85 HB2 LEU 14 1HB LEU 14 7.166 0.134 2.177 86 HB3 LEU 14 2HB LEU 14 8.897 -0.038 2.407 87 HG LEU 14 HG LEU 14 7.587 0.756 -0.232 88 HD11 LEU 14 1HD1 LEU 14 7.233 2.462 1.406 89 HD12 LEU 14 2HD1 LEU 14 8.458 3.012 0.256 90 HD13 LEU 14 3HD1 LEU 14 8.952 2.454 1.878 91 HD21 LEU 14 3HD2 LEU 14 9.780 -0.306 -0.567 92 HD22 LEU 14 1HD2 LEU 14 10.508 0.787 0.633 93 HD23 LEU 14 2HD2 LEU 14 9.867 1.426 -0.901 94 H CYS 15 H CYS 15 5.731 -1.973 2.249 95 HA CYS 15 HA CYS 15 6.672 -3.888 4.343 96 HB2 CYS 15 1HB CYS 15 5.502 -2.825 6.032 97 HB3 CYS 15 2HB CYS 15 6.341 -1.547 5.181 98 H GLU 16 H GLU 16 4.534 -4.669 5.549 99 HA GLU 16 HA GLU 16 3.200 -6.327 3.515 100 HB2 GLU 16 1HB GLU 16 4.337 -6.965 5.928 101 HB3 GLU 16 2HB GLU 16 2.671 -6.735 6.424 102 HG2 GLU 16 1HG GLU 16 2.799 -9.019 5.920 103 HG3 GLU 16 2HG GLU 16 2.089 -8.367 4.447 104 H TYR 17 H TYR 17 2.462 -3.380 4.370 105 HA TYR 17 HA TYR 17 -0.348 -3.518 5.010 106 HB2 TYR 17 1HB TYR 17 1.013 -1.529 5.291 107 HB3 TYR 17 2HB TYR 17 1.377 -1.459 3.588 108 HD1 TYR 17 1HD TYR 17 -0.351 -0.695 1.961 109 HD2 TYR 17 2HD TYR 17 -1.158 -0.773 6.192 110 HE1 TYR 17 1HE TYR 17 -2.303 0.831 1.617 111 HE2 TYR 17 2HE TYR 17 -3.107 0.741 5.841 112 HH TYR 17 HH TYR 17 -4.360 1.917 4.328 113 H ALA 18 H ALA 18 -2.125 -3.772 3.800 114 HA ALA 18 HA ALA 18 -2.014 -3.280 0.966 115 HB1 ALA 18 1HB ALA 18 -1.379 -5.670 1.075 116 HB2 ALA 18 2HB ALA 18 -2.896 -6.032 1.900 117 HB3 ALA 18 3HB ALA 18 -2.920 -5.415 0.217 118 H THR 19 H THR 19 -3.915 -2.670 0.067 119 HA THR 19 HA THR 19 -6.363 -2.545 1.783 120 HB THR 19 HB THR 19 -5.015 -0.515 2.147 121 HG1 THR 19 1HG THR 19 -7.085 -0.096 2.322 122 HG21 THR 19 3HG2 THR 19 -3.802 -0.411 0.022 123 HG22 THR 19 1HG2 THR 19 -4.614 1.077 0.456 124 HG23 THR 19 2HG2 THR 19 -5.309 0.033 -0.808 125 H ARG 20 H ARG 20 -8.250 -1.712 0.624 126 HA ARG 20 HA ARG 20 -8.563 -3.072 -1.992 127 HB2 ARG 20 1HB ARG 20 -10.443 -2.259 0.225 128 HB3 ARG 20 2HB ARG 20 -11.085 -2.640 -1.365 129 HG2 ARG 20 1HG ARG 20 -9.203 -4.559 0.036 130 HG3 ARG 20 2HG ARG 20 -10.938 -4.550 0.385 131 HD2 ARG 20 1HD ARG 20 -11.500 -4.997 -1.923 132 HD3 ARG 20 2HD ARG 20 -9.814 -4.876 -2.432 133 HE ARG 20 HE ARG 20 -9.722 -6.883 -0.551 134 HH11 ARG 20 2HH1 ARG 20 -11.821 -6.494 -3.333 135 HH12 ARG 20 1HH1 ARG 20 -11.894 -8.208 -3.626 136 HH21 ARG 20 2HH2 ARG 20 -9.695 -9.039 -1.118 137 HH22 ARG 20 1HH2 ARG 20 -10.797 -9.608 -2.346 138 H SER 21 H SER 21 -7.778 -0.005 -1.238 139 HA SER 21 HA SER 21 -8.833 0.912 -3.878 140 HB2 SER 21 1HB SER 21 -10.306 1.940 -2.258 141 HB3 SER 21 2HB SER 21 -8.924 2.534 -1.318 142 HG SER 21 HG SER 21 -9.921 4.061 -2.853 143 H LYS 22 H LYS 22 -7.389 1.874 -5.146 144 HA LYS 22 HA LYS 22 -4.607 1.972 -4.486 145 HB2 LYS 22 1HB LYS 22 -4.294 2.930 -6.664 146 HB3 LYS 22 2HB LYS 22 -5.507 1.674 -6.747 147 HG2 LYS 22 1HG LYS 22 -7.314 3.407 -6.773 148 HG3 LYS 22 2HG LYS 22 -6.075 4.667 -6.711 149 HD2 LYS 22 1HD LYS 22 -6.825 4.420 -8.981 150 HD3 LYS 22 2HD LYS 22 -5.148 3.870 -8.871 151 HE2 LYS 22 1HE LYS 22 -5.923 1.509 -8.825 152 HE3 LYS 22 2HE LYS 22 -7.607 2.054 -8.866 153 HZ1 LYS 22 3HZ LYS 22 -5.611 2.535 -11.016 154 HZ2 LYS 22 1HZ LYS 22 -7.166 3.034 -11.055 155 HZ3 LYS 22 2HZ LYS 22 -6.819 1.442 -11.081 156 H SER 23 H SER 23 -7.126 4.400 -4.151 157 HA SER 23 HA SER 23 -5.391 6.644 -3.611 158 HB2 SER 23 1HB SER 23 -8.281 6.160 -2.802 159 HB3 SER 23 2HB SER 23 -7.426 7.712 -2.747 160 HG SER 23 HG SER 23 -8.666 7.457 -4.677 161 H ASN 24 H ASN 24 -6.720 4.054 -1.561 162 HA ASN 24 HA ASN 24 -5.901 5.256 0.975 163 HB2 ASN 24 1HB ASN 24 -6.560 2.392 0.172 164 HB3 ASN 24 2HB ASN 24 -6.149 2.881 1.804 165 HD21 ASN 24 1HD2 ASN 24 -8.407 1.573 1.464 166 HD22 ASN 24 2HD2 ASN 24 -9.787 2.655 1.671 167 H LEU 25 H LEU 25 -4.473 2.657 -1.129 168 HA LEU 25 HA LEU 25 -2.086 2.488 0.310 169 HB2 LEU 25 1HB LEU 25 -2.680 0.855 -1.437 170 HB3 LEU 25 2HB LEU 25 -2.448 2.072 -2.688 171 HG LEU 25 HG LEU 25 -0.098 2.252 -2.148 172 HD11 LEU 25 1HD1 LEU 25 1.039 0.748 -0.550 173 HD12 LEU 25 2HD1 LEU 25 -0.539 0.118 -0.039 174 HD13 LEU 25 3HD1 LEU 25 -0.081 1.814 0.273 175 HD21 LEU 25 3HD2 LEU 25 -0.742 0.495 -3.743 176 HD22 LEU 25 1HD2 LEU 25 -0.768 -0.676 -2.395 177 HD23 LEU 25 2HD2 LEU 25 0.747 0.110 -2.857 178 H LYS 26 H LYS 26 -2.736 4.640 -2.455 179 HA LYS 26 HA LYS 26 -0.279 6.001 -2.614 180 HB2 LYS 26 1HB LYS 26 -2.117 6.272 -4.173 181 HB3 LYS 26 2HB LYS 26 -3.120 7.052 -2.967 182 HG2 LYS 26 1HG LYS 26 -0.444 8.246 -3.777 183 HG3 LYS 26 2HG LYS 26 -1.839 8.421 -4.826 184 HD2 LYS 26 1HD LYS 26 -1.671 9.483 -1.974 185 HD3 LYS 26 2HD LYS 26 -1.513 10.405 -3.465 186 HE2 LYS 26 1HE LYS 26 -3.839 9.710 -4.111 187 HE3 LYS 26 2HE LYS 26 -4.007 8.908 -2.541 188 HZ1 LYS 26 3HZ LYS 26 -3.652 11.077 -1.474 189 HZ2 LYS 26 1HZ LYS 26 -4.928 11.152 -2.489 190 HZ3 LYS 26 2HZ LYS 26 -3.503 11.813 -2.926 191 H ALA 27 H ALA 27 -2.827 6.493 -0.196 192 HA ALA 27 HA ALA 27 -1.545 8.821 1.024 193 HB1 ALA 27 1HB ALA 27 -3.289 8.550 2.727 194 HB2 ALA 27 2HB ALA 27 -4.000 8.419 1.104 195 HB3 ALA 27 3HB ALA 27 -3.720 6.957 2.078 196 H HIS 28 H HIS 28 -1.648 5.302 1.689 197 HA HIS 28 HA HIS 28 -0.067 5.307 4.079 198 HB2 HIS 28 1HB HIS 28 -1.406 3.437 3.576 199 HB3 HIS 28 2HB HIS 28 -0.708 3.239 1.977 200 HD1 HIS 28 1HD HIS 28 0.093 2.493 5.626 201 HD2 HIS 28 2HD HIS 28 1.712 2.113 1.760 202 HE1 HIS 28 1HE HIS 28 2.122 0.999 5.881 203 H MET 29 H MET 29 0.917 5.054 0.605 204 HA MET 29 HA MET 29 3.687 4.645 1.122 205 HB2 MET 29 1HB MET 29 2.345 5.942 -1.284 206 HB3 MET 29 2HB MET 29 4.018 5.385 -1.219 207 HG2 MET 29 1HG MET 29 1.511 3.693 -1.051 208 HG3 MET 29 2HG MET 29 2.689 3.696 -2.323 209 HE1 MET 29 3HE MET 29 5.019 2.599 -2.208 210 HE2 MET 29 1HE MET 29 5.482 3.540 -0.764 211 HE3 MET 29 2HE MET 29 5.673 1.768 -0.777 212 H ASN 30 H ASN 30 1.820 7.649 1.056 213 HA ASN 30 HA ASN 30 4.142 9.388 1.251 214 HB2 ASN 30 1HB ASN 30 1.159 9.745 1.643 215 HB3 ASN 30 2HB ASN 30 2.298 11.003 2.124 216 HD21 ASN 30 1HD2 ASN 30 1.067 9.203 -0.731 217 HD22 ASN 30 2HD2 ASN 30 1.679 10.403 -1.858 218 H ARG 31 H ARG 31 2.595 7.339 3.623 219 HA ARG 31 HA ARG 31 3.692 8.780 5.950 220 HB2 ARG 31 1HB ARG 31 2.739 5.902 5.804 221 HB3 ARG 31 2HB ARG 31 3.066 6.847 7.246 222 HG2 ARG 31 1HG ARG 31 1.239 8.454 6.612 223 HG3 ARG 31 2HG ARG 31 0.864 7.431 5.223 224 HD2 ARG 31 1HD ARG 31 -0.693 6.888 6.929 225 HD3 ARG 31 2HD ARG 31 0.430 5.523 6.771 226 HE ARG 31 HE ARG 31 1.389 7.295 8.803 227 HH11 ARG 31 2HH1 ARG 31 -1.283 5.067 8.385 228 HH12 ARG 31 1HH1 ARG 31 -1.407 4.754 10.093 229 HH21 ARG 31 2HH2 ARG 31 1.179 6.845 10.969 230 HH22 ARG 31 1HH2 ARG 31 -0.051 5.744 11.512 231 H HIS 32 H HIS 32 4.837 6.283 3.729 232 HA HIS 32 HA HIS 32 7.217 5.683 5.296 233 HB2 HIS 32 1HB HIS 32 6.472 5.150 2.399 234 HB3 HIS 32 2HB HIS 32 8.024 4.718 3.084 235 HD1 HIS 32 1HD HIS 32 7.851 2.972 5.316 236 HD2 HIS 32 2HD HIS 32 4.726 3.215 2.522 237 HE1 HIS 32 1HE HIS 32 6.589 0.784 5.506 238 H SER 33 H SER 33 6.355 8.202 3.000 239 HA SER 33 HA SER 33 8.972 9.019 2.242 240 HB2 SER 33 1HB SER 33 6.359 10.573 2.191 241 HB3 SER 33 2HB SER 33 7.830 10.998 1.311 242 HG SER 33 HG SER 33 6.492 9.855 -0.064 243 H THR 34 H THR 34 8.023 9.223 5.356 244 HA THR 34 HA THR 34 8.552 11.940 6.118 245 HB THR 34 HB THR 34 8.955 10.899 8.394 246 HG1 THR 34 1HG THR 34 8.371 8.687 8.533 247 HG21 THR 34 3HG2 THR 34 6.713 11.648 7.726 248 HG22 THR 34 1HG2 THR 34 6.618 10.175 8.707 249 HG23 THR 34 2HG2 THR 34 6.397 10.086 6.946 250 H GLU 35 H GLU 35 10.371 12.896 7.071 251 HA GLU 35 HA GLU 35 13.009 12.007 6.217 252 HB2 GLU 35 1HB GLU 35 12.140 14.179 8.165 253 HB3 GLU 35 2HB GLU 35 13.806 13.886 7.648 254 HG2 GLU 35 1HG GLU 35 13.142 14.290 5.282 255 HG3 GLU 35 2HG GLU 35 11.497 14.654 5.808 256 H LYS 36 H LYS 36 14.717 11.228 7.498 257 HA LYS 36 HA LYS 36 13.957 9.872 10.051 258 HB2 LYS 36 1HB LYS 36 15.485 8.438 7.865 259 HB3 LYS 36 2HB LYS 36 14.701 7.774 9.302 260 HG2 LYS 36 1HG LYS 36 12.473 8.550 8.251 261 HG3 LYS 36 2HG LYS 36 13.412 8.849 6.772 262 HD2 LYS 36 1HD LYS 36 14.162 6.385 6.962 263 HD3 LYS 36 2HD LYS 36 12.861 6.206 8.148 264 HE2 LYS 36 1HE LYS 36 12.654 7.000 5.213 265 HE3 LYS 36 2HE LYS 36 12.044 5.524 5.965 266 HZ1 LYS 36 3HZ LYS 36 11.008 8.278 6.404 267 HZ2 LYS 36 1HZ LYS 36 10.452 6.965 7.212 268 HZ3 LYS 36 2HZ LYS 36 10.256 7.097 5.589 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 6.114 -21.667 -6.304 2 H2 GLY 1 2H GLY 1 5.102 -21.100 -7.459 3 H3 GLY 1 3H GLY 1 4.539 -21.394 -5.949 4 HA2 GLY 1 1HA GLY 1 5.900 -19.641 -5.026 5 HA3 GLY 1 2HA GLY 1 6.524 -19.330 -6.655 6 H SER 2 H SER 2 4.991 -17.610 -4.751 7 HA SER 2 HA SER 2 2.747 -16.761 -6.532 8 HB2 SER 2 1HB SER 2 2.602 -17.045 -3.505 9 HB3 SER 2 2HB SER 2 1.346 -16.358 -4.550 10 HG SER 2 HG SER 2 0.954 -18.569 -4.034 11 H SER 3 H SER 3 2.095 -14.548 -6.278 12 HA SER 3 HA SER 3 4.258 -12.686 -5.678 13 HB2 SER 3 1HB SER 3 2.671 -10.978 -6.433 14 HB3 SER 3 2HB SER 3 2.800 -12.313 -7.587 15 HG SER 3 HG SER 3 0.620 -11.749 -7.240 16 H GLY 4 H GLY 4 3.948 -10.774 -4.297 17 HA2 GLY 4 1HA GLY 4 3.262 -11.530 -1.596 18 HA3 GLY 4 2HA GLY 4 3.851 -9.962 -2.148 19 H SER 5 H SER 5 1.223 -10.261 -4.024 20 HA SER 5 HA SER 5 -0.390 -8.517 -2.335 21 HB2 SER 5 1HB SER 5 -0.864 -9.458 -5.179 22 HB3 SER 5 2HB SER 5 -1.690 -8.124 -4.351 23 HG SER 5 HG SER 5 0.057 -7.413 -5.688 24 H SER 6 H SER 6 -0.409 -10.917 -1.075 25 HA SER 6 HA SER 6 -2.342 -12.810 -1.871 26 HB2 SER 6 1HB SER 6 -1.289 -12.230 0.922 27 HB3 SER 6 2HB SER 6 -2.113 -13.713 0.398 28 HG SER 6 HG SER 6 0.169 -13.935 0.340 29 H GLY 7 H GLY 7 -4.400 -12.225 -2.275 30 HA2 GLY 7 1HA GLY 7 -6.630 -12.064 -1.728 31 HA3 GLY 7 2HA GLY 7 -6.194 -11.856 -0.033 32 H LYS 8 H LYS 8 -4.547 -9.419 -1.580 33 HA LYS 8 HA LYS 8 -6.807 -7.473 -1.462 34 HB2 LYS 8 1HB LYS 8 -4.116 -7.172 -0.079 35 HB3 LYS 8 2HB LYS 8 -5.237 -5.853 -0.371 36 HG2 LYS 8 1HG LYS 8 -5.764 -6.333 1.786 37 HG3 LYS 8 2HG LYS 8 -6.994 -7.239 0.924 38 HD2 LYS 8 1HD LYS 8 -6.184 -8.550 2.776 39 HD3 LYS 8 2HD LYS 8 -5.641 -9.332 1.302 40 HE2 LYS 8 1HE LYS 8 -3.404 -8.133 1.607 41 HE3 LYS 8 2HE LYS 8 -3.998 -7.588 3.185 42 HZ1 LYS 8 3HZ LYS 8 -3.654 -10.403 2.309 43 HZ2 LYS 8 1HZ LYS 8 -4.261 -9.967 3.775 44 HZ3 LYS 8 2HZ LYS 8 -2.706 -9.625 3.395 45 HA PRO 9 HA PRO 9 -5.115 -6.367 -5.346 46 HB2 PRO 9 1HB PRO 9 -6.355 -3.999 -5.906 47 HB3 PRO 9 2HB PRO 9 -7.197 -5.579 -5.852 48 HG2 PRO 9 1HG PRO 9 -6.961 -3.536 -3.621 49 HG3 PRO 9 2HG PRO 9 -8.455 -4.298 -4.262 50 HD2 PRO 9 1HD PRO 9 -7.211 -5.248 -2.046 51 HD3 PRO 9 2HD PRO 9 -7.878 -6.385 -3.259 52 H PHE 10 H PHE 10 -4.840 -3.742 -2.868 53 HA PHE 10 HA PHE 10 -2.345 -2.776 -4.233 54 HB2 PHE 10 1HB PHE 10 -4.204 -1.157 -2.502 55 HB3 PHE 10 2HB PHE 10 -2.850 -0.598 -3.451 56 HD1 PHE 10 1HD PHE 10 -2.897 -0.754 -5.990 57 HD2 PHE 10 2HD PHE 10 -6.382 -1.324 -3.525 58 HE1 PHE 10 1HE PHE 10 -4.344 -0.484 -7.978 59 HE2 PHE 10 2HE PHE 10 -7.841 -1.067 -5.524 60 HZ PHE 10 HZ PHE 10 -6.817 -0.623 -7.754 61 H LYS 11 H LYS 11 -1.047 -4.095 -3.357 62 HA LYS 11 HA LYS 11 -0.439 -4.038 -0.440 63 HB2 LYS 11 1HB LYS 11 -0.541 -6.240 -1.335 64 HB3 LYS 11 2HB LYS 11 0.377 -5.795 -2.765 65 HG2 LYS 11 1HG LYS 11 1.681 -7.197 -1.328 66 HG3 LYS 11 2HG LYS 11 2.437 -5.626 -1.493 67 HD2 LYS 11 1HD LYS 11 1.839 -4.997 0.739 68 HD3 LYS 11 2HD LYS 11 0.800 -6.423 0.954 69 HE2 LYS 11 1HE LYS 11 3.717 -6.718 0.165 70 HE3 LYS 11 2HE LYS 11 3.313 -6.385 1.840 71 HZ1 LYS 11 3HZ LYS 11 2.160 -8.693 0.359 72 HZ2 LYS 11 1HZ LYS 11 2.024 -8.382 1.966 73 HZ3 LYS 11 2HZ LYS 11 3.472 -8.795 1.338 74 H CYS 12 H CYS 12 0.959 -2.751 0.288 75 HA CYS 12 HA CYS 12 2.537 -0.803 -0.965 76 HB2 CYS 12 1HB CYS 12 1.884 -0.789 1.355 77 HB3 CYS 12 2HB CYS 12 2.766 -2.285 1.671 78 H SER 13 H SER 13 4.618 -0.623 -1.591 79 HA SER 13 HA SER 13 5.971 -3.013 -2.598 80 HB2 SER 13 1HB SER 13 6.817 -0.092 -2.677 81 HB3 SER 13 2HB SER 13 7.532 -1.419 -3.610 82 HG SER 13 HG SER 13 5.998 -0.252 -4.844 83 H LEU 14 H LEU 14 6.047 -1.472 0.391 84 HA LEU 14 HA LEU 14 8.949 -2.079 0.915 85 HB2 LEU 14 1HB LEU 14 7.154 0.010 2.196 86 HB3 LEU 14 2HB LEU 14 8.878 -0.171 2.442 87 HG LEU 14 HG LEU 14 7.604 0.575 -0.231 88 HD11 LEU 14 1HD1 LEU 14 7.242 2.321 1.355 89 HD12 LEU 14 2HD1 LEU 14 8.494 2.834 0.220 90 HD13 LEU 14 3HD1 LEU 14 8.949 2.307 1.862 91 HD21 LEU 14 3HD2 LEU 14 9.799 -0.511 -0.507 92 HD22 LEU 14 1HD2 LEU 14 10.513 0.606 0.679 93 HD23 LEU 14 2HD2 LEU 14 9.903 1.214 -0.878 94 H CYS 15 H CYS 15 5.701 -2.084 2.298 95 HA CYS 15 HA CYS 15 6.603 -4.006 4.400 96 HB2 CYS 15 1HB CYS 15 5.472 -2.890 6.101 97 HB3 CYS 15 2HB CYS 15 6.406 -1.666 5.261 98 H GLU 16 H GLU 16 4.518 -4.726 5.662 99 HA GLU 16 HA GLU 16 3.000 -6.323 3.730 100 HB2 GLU 16 1HB GLU 16 4.126 -6.807 6.242 101 HB3 GLU 16 2HB GLU 16 2.436 -6.655 6.632 102 HG2 GLU 16 1HG GLU 16 3.712 -8.539 4.587 103 HG3 GLU 16 2HG GLU 16 3.194 -8.991 6.203 104 H TYR 17 H TYR 17 2.454 -3.295 4.497 105 HA TYR 17 HA TYR 17 -0.361 -3.299 5.181 106 HB2 TYR 17 1HB TYR 17 1.091 -1.363 5.428 107 HB3 TYR 17 2HB TYR 17 1.427 -1.323 3.720 108 HD1 TYR 17 1HD TYR 17 -0.357 -0.636 2.099 109 HD2 TYR 17 2HD TYR 17 -1.016 -0.463 6.351 110 HE1 TYR 17 1HE TYR 17 -2.339 0.841 1.728 111 HE2 TYR 17 2HE TYR 17 -2.982 1.026 5.981 112 HH TYR 17 HH TYR 17 -4.314 2.079 4.438 113 H ALA 18 H ALA 18 -2.123 -3.602 3.986 114 HA ALA 18 HA ALA 18 -2.020 -3.077 1.145 115 HB1 ALA 18 1HB ALA 18 -2.947 -5.195 0.409 116 HB2 ALA 18 2HB ALA 18 -1.424 -5.499 1.275 117 HB3 ALA 18 3HB ALA 18 -2.971 -5.800 2.091 118 H THR 19 H THR 19 -4.008 -2.720 0.168 119 HA THR 19 HA THR 19 -6.439 -2.517 1.875 120 HB THR 19 HB THR 19 -5.138 -0.443 2.206 121 HG1 THR 19 1HG THR 19 -7.238 -0.105 2.333 122 HG21 THR 19 3HG2 THR 19 -3.917 -0.410 0.063 123 HG22 THR 19 1HG2 THR 19 -4.698 1.093 0.488 124 HG23 THR 19 2HG2 THR 19 -5.421 0.051 -0.764 125 H ARG 20 H ARG 20 -8.301 -1.693 0.620 126 HA ARG 20 HA ARG 20 -8.518 -3.192 -1.919 127 HB2 ARG 20 1HB ARG 20 -10.437 -2.280 0.222 128 HB3 ARG 20 2HB ARG 20 -11.086 -2.585 -1.378 129 HG2 ARG 20 1HG ARG 20 -9.340 -4.590 0.082 130 HG3 ARG 20 2HG ARG 20 -11.096 -4.562 0.257 131 HD2 ARG 20 1HD ARG 20 -9.732 -4.860 -2.465 132 HD3 ARG 20 2HD ARG 20 -10.121 -6.217 -1.433 133 HE ARG 20 HE ARG 20 -12.418 -5.898 -1.749 134 HH11 ARG 20 2HH1 ARG 20 -10.802 -3.313 -3.571 135 HH12 ARG 20 1HH1 ARG 20 -12.154 -3.175 -4.643 136 HH21 ARG 20 2HH2 ARG 20 -14.085 -5.548 -3.119 137 HH22 ARG 20 1HH2 ARG 20 -13.961 -4.345 -4.367 138 H SER 21 H SER 21 -7.993 0.008 -1.162 139 HA SER 21 HA SER 21 -8.925 0.840 -3.887 140 HB2 SER 21 1HB SER 21 -10.496 1.756 -2.256 141 HB3 SER 21 2HB SER 21 -9.154 2.481 -1.344 142 HG SER 21 HG SER 21 -10.240 3.912 -2.879 143 H LYS 22 H LYS 22 -7.482 1.934 -5.095 144 HA LYS 22 HA LYS 22 -4.732 1.984 -4.365 145 HB2 LYS 22 1HB LYS 22 -5.805 1.907 -6.695 146 HB3 LYS 22 2HB LYS 22 -6.011 3.654 -6.566 147 HG2 LYS 22 1HG LYS 22 -3.592 3.966 -6.380 148 HG3 LYS 22 2HG LYS 22 -3.337 2.221 -6.215 149 HD2 LYS 22 1HD LYS 22 -2.718 3.079 -8.449 150 HD3 LYS 22 2HD LYS 22 -3.950 1.813 -8.504 151 HE2 LYS 22 1HE LYS 22 -5.717 3.465 -8.824 152 HE3 LYS 22 2HE LYS 22 -4.557 4.795 -8.647 153 HZ1 LYS 22 3HZ LYS 22 -5.018 4.318 -10.988 154 HZ2 LYS 22 1HZ LYS 22 -4.519 2.772 -10.832 155 HZ3 LYS 22 2HZ LYS 22 -3.451 3.999 -10.673 156 H SER 23 H SER 23 -7.200 4.500 -4.124 157 HA SER 23 HA SER 23 -5.486 6.700 -3.481 158 HB2 SER 23 1HB SER 23 -8.378 6.192 -2.690 159 HB3 SER 23 2HB SER 23 -7.532 7.751 -2.613 160 HG SER 23 HG SER 23 -8.759 7.509 -4.552 161 H ASN 24 H ASN 24 -6.693 4.042 -1.468 162 HA ASN 24 HA ASN 24 -5.940 5.291 1.079 163 HB2 ASN 24 1HB ASN 24 -6.560 2.417 0.295 164 HB3 ASN 24 2HB ASN 24 -6.205 2.938 1.933 165 HD21 ASN 24 1HD2 ASN 24 -8.452 1.585 1.444 166 HD22 ASN 24 2HD2 ASN 24 -9.848 2.655 1.623 167 H LEU 25 H LEU 25 -4.496 2.723 -1.036 168 HA LEU 25 HA LEU 25 -2.118 2.520 0.440 169 HB2 LEU 25 1HB LEU 25 -2.719 0.849 -1.255 170 HB3 LEU 25 2HB LEU 25 -2.536 2.040 -2.541 171 HG LEU 25 HG LEU 25 -0.177 2.242 -2.088 172 HD11 LEU 25 1HD1 LEU 25 -0.525 0.163 0.092 173 HD12 LEU 25 2HD1 LEU 25 -0.086 1.873 0.346 174 HD13 LEU 25 3HD1 LEU 25 1.029 0.803 -0.484 175 HD21 LEU 25 3HD2 LEU 25 -0.873 -0.683 -2.257 176 HD22 LEU 25 1HD2 LEU 25 0.653 0.072 -2.749 177 HD23 LEU 25 2HD2 LEU 25 -0.836 0.474 -3.622 178 H LYS 26 H LYS 26 -2.745 4.614 -2.360 179 HA LYS 26 HA LYS 26 -0.349 6.012 -2.663 180 HB2 LYS 26 1HB LYS 26 -2.407 6.349 -3.991 181 HB3 LYS 26 2HB LYS 26 -3.218 7.038 -2.590 182 HG2 LYS 26 1HG LYS 26 -1.415 8.926 -2.684 183 HG3 LYS 26 2HG LYS 26 -0.996 8.242 -4.260 184 HD2 LYS 26 1HD LYS 26 -2.577 9.924 -4.776 185 HD3 LYS 26 2HD LYS 26 -3.500 8.419 -4.819 186 HE2 LYS 26 1HE LYS 26 -4.890 9.948 -3.700 187 HE3 LYS 26 2HE LYS 26 -4.251 8.902 -2.432 188 HZ1 LYS 26 3HZ LYS 26 -3.241 11.624 -3.104 189 HZ2 LYS 26 1HZ LYS 26 -2.629 10.683 -1.916 190 HZ3 LYS 26 2HZ LYS 26 -4.155 11.254 -1.807 191 H ALA 27 H ALA 27 -2.818 6.587 -0.201 192 HA ALA 27 HA ALA 27 -1.492 8.847 1.062 193 HB1 ALA 27 1HB ALA 27 -3.699 7.033 2.122 194 HB2 ALA 27 2HB ALA 27 -3.243 8.626 2.751 195 HB3 ALA 27 3HB ALA 27 -3.944 8.485 1.127 196 H HIS 28 H HIS 28 -1.569 5.328 1.750 197 HA HIS 28 HA HIS 28 0.057 5.400 4.121 198 HB2 HIS 28 1HB HIS 28 -1.290 3.514 3.710 199 HB3 HIS 28 2HB HIS 28 -0.642 3.274 2.096 200 HD1 HIS 28 1HD HIS 28 0.294 2.659 5.744 201 HD2 HIS 28 2HD HIS 28 1.745 2.103 1.836 202 HE1 HIS 28 1HE HIS 28 2.314 1.150 5.975 203 H MET 29 H MET 29 0.952 5.039 0.632 204 HA MET 29 HA MET 29 3.751 4.705 1.091 205 HB2 MET 29 1HB MET 29 2.324 5.876 -1.333 206 HB3 MET 29 2HB MET 29 4.003 5.336 -1.287 207 HG2 MET 29 1HG MET 29 1.513 3.636 -0.986 208 HG3 MET 29 2HG MET 29 2.665 3.592 -2.287 209 HE1 MET 29 3HE MET 29 5.017 2.524 -2.167 210 HE2 MET 29 1HE MET 29 5.496 3.535 -0.774 211 HE3 MET 29 2HE MET 29 5.706 1.764 -0.712 212 H ASN 30 H ASN 30 1.817 7.627 1.072 213 HA ASN 30 HA ASN 30 4.086 9.450 1.057 214 HB2 ASN 30 1HB ASN 30 1.135 9.731 1.628 215 HB3 ASN 30 2HB ASN 30 2.259 11.006 2.094 216 HD21 ASN 30 1HD2 ASN 30 1.109 9.150 -0.779 217 HD22 ASN 30 2HD2 ASN 30 1.607 10.412 -1.899 218 H ARG 31 H ARG 31 2.660 7.456 3.584 219 HA ARG 31 HA ARG 31 3.901 8.893 5.819 220 HB2 ARG 31 1HB ARG 31 3.022 5.983 5.746 221 HB3 ARG 31 2HB ARG 31 3.329 6.977 7.163 222 HG2 ARG 31 1HG ARG 31 1.412 8.444 6.592 223 HG3 ARG 31 2HG ARG 31 1.083 7.452 5.160 224 HD2 ARG 31 1HD ARG 31 0.777 5.463 6.635 225 HD3 ARG 31 2HD ARG 31 0.975 6.522 8.049 226 HE ARG 31 HE ARG 31 -1.045 7.623 6.371 227 HH11 ARG 31 2HH1 ARG 31 -0.666 4.864 8.496 228 HH12 ARG 31 1HH1 ARG 31 -2.378 4.742 8.793 229 HH21 ARG 31 2HH2 ARG 31 -3.216 7.422 6.808 230 HH22 ARG 31 1HH2 ARG 31 -3.777 6.160 7.862 231 H HIS 32 H HIS 32 4.875 6.206 3.699 232 HA HIS 32 HA HIS 32 7.447 5.788 4.994 233 HB2 HIS 32 1HB HIS 32 6.411 5.129 2.209 234 HB3 HIS 32 2HB HIS 32 8.020 4.717 2.770 235 HD1 HIS 32 1HD HIS 32 7.992 3.082 5.127 236 HD2 HIS 32 2HD HIS 32 4.755 3.166 2.458 237 HE1 HIS 32 1HE HIS 32 6.787 0.871 5.440 238 H SER 33 H SER 33 6.238 8.075 2.614 239 HA SER 33 HA SER 33 8.872 9.020 1.761 240 HB2 SER 33 1HB SER 33 6.109 10.147 1.198 241 HB3 SER 33 2HB SER 33 7.605 10.596 0.382 242 HG SER 33 HG SER 33 6.323 8.045 0.345 243 H THR 34 H THR 34 7.269 9.617 4.608 244 HA THR 34 HA THR 34 8.450 12.342 4.936 245 HB THR 34 HB THR 34 6.481 12.913 6.378 246 HG1 THR 34 1HG THR 34 5.157 10.860 4.974 247 HG21 THR 34 3HG2 THR 34 5.821 12.396 3.449 248 HG22 THR 34 1HG2 THR 34 6.670 13.813 4.099 249 HG23 THR 34 2HG2 THR 34 4.982 13.514 4.546 250 H GLU 35 H GLU 35 8.596 13.000 7.259 251 HA GLU 35 HA GLU 35 9.280 10.728 9.080 252 HB2 GLU 35 1HB GLU 35 10.997 13.172 8.478 253 HB3 GLU 35 2HB GLU 35 11.291 12.012 9.778 254 HG2 GLU 35 1HG GLU 35 11.509 10.187 8.090 255 HG3 GLU 35 2HG GLU 35 11.320 11.376 6.797 256 H LYS 36 H LYS 36 9.455 11.251 11.286 257 HA LYS 36 HA LYS 36 7.139 12.764 12.151 258 HB2 LYS 36 1HB LYS 36 7.884 10.455 12.923 259 HB3 LYS 36 2HB LYS 36 9.171 11.255 13.842 260 HG2 LYS 36 1HG LYS 36 7.407 12.603 15.020 261 HG3 LYS 36 2HG LYS 36 6.169 11.707 14.133 262 HD2 LYS 36 1HD LYS 36 8.225 10.528 16.056 263 HD3 LYS 36 2HD LYS 36 6.549 10.866 16.470 264 HE2 LYS 36 1HE LYS 36 7.470 8.863 14.353 265 HE3 LYS 36 2HE LYS 36 7.026 8.457 16.009 266 HZ1 LYS 36 3HZ LYS 36 5.180 9.653 14.013 267 HZ2 LYS 36 1HZ LYS 36 4.785 9.304 15.561 268 HZ3 LYS 36 2HZ LYS 36 5.161 8.105 14.523 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 1.050 -25.302 2.831 2 H2 GLY 1 2H GLY 1 -0.302 -25.185 3.745 3 H3 GLY 1 3H GLY 1 1.134 -24.666 4.340 4 HA2 GLY 1 1HA GLY 1 -0.205 -22.778 3.701 5 HA3 GLY 1 2HA GLY 1 1.258 -22.909 2.706 6 H SER 2 H SER 2 -0.297 -21.452 1.423 7 HA SER 2 HA SER 2 -1.445 -23.073 -0.772 8 HB2 SER 2 1HB SER 2 -3.402 -22.812 0.593 9 HB3 SER 2 2HB SER 2 -3.090 -21.086 0.832 10 HG SER 2 HG SER 2 -4.691 -21.595 -0.809 11 H SER 3 H SER 3 -1.300 -19.643 0.330 12 HA SER 3 HA SER 3 -0.898 -17.710 -0.743 13 HB2 SER 3 1HB SER 3 1.220 -19.250 -2.273 14 HB3 SER 3 2HB SER 3 1.103 -17.491 -2.106 15 HG SER 3 HG SER 3 1.512 -19.392 -0.022 16 H GLY 4 H GLY 4 -2.934 -19.550 -2.004 17 HA2 GLY 4 1HA GLY 4 -2.930 -19.179 -4.837 18 HA3 GLY 4 2HA GLY 4 -4.301 -19.647 -3.834 19 H SER 5 H SER 5 -3.684 -16.862 -2.406 20 HA SER 5 HA SER 5 -4.551 -14.918 -4.435 21 HB2 SER 5 1HB SER 5 -6.688 -15.851 -3.638 22 HB3 SER 5 2HB SER 5 -6.232 -15.491 -1.961 23 HG SER 5 HG SER 5 -7.596 -13.889 -3.033 24 H SER 6 H SER 6 -4.151 -12.782 -3.857 25 HA SER 6 HA SER 6 -2.275 -12.241 -1.651 26 HB2 SER 6 1HB SER 6 -2.295 -9.948 -2.636 27 HB3 SER 6 2HB SER 6 -1.840 -11.215 -3.789 28 HG SER 6 HG SER 6 -3.392 -9.701 -4.632 29 H GLY 7 H GLY 7 -5.688 -12.204 -2.068 30 HA2 GLY 7 1HA GLY 7 -7.399 -11.682 -0.618 31 HA3 GLY 7 2HA GLY 7 -6.210 -11.171 0.580 32 H LYS 8 H LYS 8 -4.968 -9.080 -0.901 33 HA LYS 8 HA LYS 8 -7.147 -7.084 -1.339 34 HB2 LYS 8 1HB LYS 8 -4.598 -6.786 0.277 35 HB3 LYS 8 2HB LYS 8 -5.448 -5.408 -0.394 36 HG2 LYS 8 1HG LYS 8 -6.193 -5.461 1.776 37 HG3 LYS 8 2HG LYS 8 -7.524 -6.131 0.854 38 HD2 LYS 8 1HD LYS 8 -7.200 -7.262 2.996 39 HD3 LYS 8 2HD LYS 8 -6.972 -8.392 1.672 40 HE2 LYS 8 1HE LYS 8 -4.513 -8.207 1.900 41 HE3 LYS 8 2HE LYS 8 -4.715 -6.977 3.159 42 HZ1 LYS 8 3HZ LYS 8 -4.317 -9.173 4.117 43 HZ2 LYS 8 1HZ LYS 8 -5.631 -9.798 3.381 44 HZ3 LYS 8 2HZ LYS 8 -5.805 -8.659 4.541 45 HA PRO 9 HA PRO 9 -5.137 -6.454 -5.220 46 HB2 PRO 9 1HB PRO 9 -6.133 -4.032 -5.994 47 HB3 PRO 9 2HB PRO 9 -7.097 -5.542 -5.927 48 HG2 PRO 9 1HG PRO 9 -6.854 -3.408 -3.782 49 HG3 PRO 9 2HG PRO 9 -8.361 -4.081 -4.496 50 HD2 PRO 9 1HD PRO 9 -7.369 -5.025 -2.161 51 HD3 PRO 9 2HD PRO 9 -7.996 -6.173 -3.393 52 H PHE 10 H PHE 10 -4.842 -3.684 -2.911 53 HA PHE 10 HA PHE 10 -2.305 -2.846 -4.270 54 HB2 PHE 10 1HB PHE 10 -4.142 -1.190 -2.547 55 HB3 PHE 10 2HB PHE 10 -2.775 -0.647 -3.488 56 HD1 PHE 10 1HD PHE 10 -2.780 -1.117 -6.048 57 HD2 PHE 10 2HD PHE 10 -6.304 -1.114 -3.574 58 HE1 PHE 10 1HE PHE 10 -4.188 -0.910 -8.064 59 HE2 PHE 10 2HE PHE 10 -7.728 -0.908 -5.607 60 HZ PHE 10 HZ PHE 10 -6.673 -0.797 -7.857 61 H LYS 11 H LYS 11 -1.013 -4.164 -3.406 62 HA LYS 11 HA LYS 11 -0.343 -4.133 -0.513 63 HB2 LYS 11 1HB LYS 11 -0.393 -6.306 -1.504 64 HB3 LYS 11 2HB LYS 11 0.515 -5.772 -2.912 65 HG2 LYS 11 1HG LYS 11 1.878 -7.180 -1.539 66 HG3 LYS 11 2HG LYS 11 2.558 -5.564 -1.611 67 HD2 LYS 11 1HD LYS 11 1.841 -5.150 0.711 68 HD3 LYS 11 2HD LYS 11 0.907 -6.663 0.709 69 HE2 LYS 11 1HE LYS 11 2.951 -7.195 1.817 70 HE3 LYS 11 2HE LYS 11 3.060 -7.907 0.210 71 HZ1 LYS 11 3HZ LYS 11 4.327 -5.373 1.101 72 HZ2 LYS 11 1HZ LYS 11 4.346 -5.855 -0.443 73 HZ3 LYS 11 2HZ LYS 11 5.113 -6.757 0.701 74 H CYS 12 H CYS 12 1.012 -2.814 0.244 75 HA CYS 12 HA CYS 12 2.581 -0.823 -0.968 76 HB2 CYS 12 1HB CYS 12 1.894 -0.834 1.341 77 HB3 CYS 12 2HB CYS 12 2.783 -2.327 1.654 78 H SER 13 H SER 13 4.673 -0.613 -1.551 79 HA SER 13 HA SER 13 6.071 -2.985 -2.549 80 HB2 SER 13 1HB SER 13 6.868 -0.050 -2.624 81 HB3 SER 13 2HB SER 13 7.619 -1.368 -3.544 82 HG SER 13 HG SER 13 6.080 -0.230 -4.802 83 H LEU 14 H LEU 14 6.099 -1.419 0.436 84 HA LEU 14 HA LEU 14 9.003 -1.996 0.986 85 HB2 LEU 14 1HB LEU 14 7.173 0.077 2.249 86 HB3 LEU 14 2HB LEU 14 8.899 -0.089 2.509 87 HG LEU 14 HG LEU 14 7.638 0.642 -0.173 88 HD11 LEU 14 1HD1 LEU 14 8.959 2.387 1.926 89 HD12 LEU 14 2HD1 LEU 14 7.252 2.386 1.418 90 HD13 LEU 14 3HD1 LEU 14 8.502 2.910 0.282 91 HD21 LEU 14 3HD2 LEU 14 9.933 1.302 -0.804 92 HD22 LEU 14 1HD2 LEU 14 9.844 -0.423 -0.435 93 HD23 LEU 14 2HD2 LEU 14 10.540 0.700 0.756 94 H CYS 15 H CYS 15 5.744 -2.031 2.346 95 HA CYS 15 HA CYS 15 6.642 -3.954 4.448 96 HB2 CYS 15 1HB CYS 15 5.515 -2.840 6.146 97 HB3 CYS 15 2HB CYS 15 6.372 -1.597 5.280 98 H GLU 16 H GLU 16 4.506 -4.723 5.637 99 HA GLU 16 HA GLU 16 3.136 -6.307 3.565 100 HB2 GLU 16 1HB GLU 16 4.283 -7.173 5.747 101 HB3 GLU 16 2HB GLU 16 2.798 -6.669 6.556 102 HG2 GLU 16 1HG GLU 16 1.502 -8.228 5.107 103 HG3 GLU 16 2HG GLU 16 2.965 -8.610 4.200 104 H TYR 17 H TYR 17 2.452 -3.352 4.485 105 HA TYR 17 HA TYR 17 -0.365 -3.436 5.099 106 HB2 TYR 17 1HB TYR 17 1.046 -1.473 5.393 107 HB3 TYR 17 2HB TYR 17 1.408 -1.407 3.690 108 HD1 TYR 17 1HD TYR 17 -0.362 -0.714 2.051 109 HD2 TYR 17 2HD TYR 17 -1.062 -0.580 6.297 110 HE1 TYR 17 1HE TYR 17 -2.326 0.786 1.676 111 HE2 TYR 17 2HE TYR 17 -3.008 0.933 5.923 112 HH TYR 17 HH TYR 17 -4.314 2.012 4.381 113 H ALA 18 H ALA 18 -2.131 -3.699 3.886 114 HA ALA 18 HA ALA 18 -2.001 -3.122 1.069 115 HB1 ALA 18 1HB ALA 18 -2.906 -5.225 0.253 116 HB2 ALA 18 2HB ALA 18 -1.387 -5.537 1.127 117 HB3 ALA 18 3HB ALA 18 -2.937 -5.884 1.917 118 H THR 19 H THR 19 -3.981 -2.751 0.062 119 HA THR 19 HA THR 19 -6.432 -2.582 1.749 120 HB THR 19 HB THR 19 -5.145 -0.508 2.111 121 HG1 THR 19 1HG THR 19 -7.256 -0.185 2.213 122 HG21 THR 19 3HG2 THR 19 -3.906 -0.450 -0.028 123 HG22 THR 19 1HG2 THR 19 -4.692 1.048 0.410 124 HG23 THR 19 2HG2 THR 19 -5.408 0.023 -0.857 125 H ARG 20 H ARG 20 -8.309 -1.815 0.518 126 HA ARG 20 HA ARG 20 -8.495 -3.176 -2.109 127 HB2 ARG 20 1HB ARG 20 -10.457 -2.429 0.052 128 HB3 ARG 20 2HB ARG 20 -11.053 -2.735 -1.574 129 HG2 ARG 20 1HG ARG 20 -9.216 -4.720 -0.201 130 HG3 ARG 20 2HG ARG 20 -10.963 -4.725 0.092 131 HD2 ARG 20 1HD ARG 20 -11.448 -5.059 -2.253 132 HD3 ARG 20 2HD ARG 20 -9.746 -4.919 -2.699 133 HE ARG 20 HE ARG 20 -9.722 -7.014 -0.915 134 HH11 ARG 20 2HH1 ARG 20 -11.690 -6.481 -3.773 135 HH12 ARG 20 1HH1 ARG 20 -11.760 -8.182 -4.142 136 HH21 ARG 20 2HH2 ARG 20 -9.712 -9.129 -1.548 137 HH22 ARG 20 1HH2 ARG 20 -10.722 -9.647 -2.875 138 H SER 21 H SER 21 -8.009 -0.021 -1.167 139 HA SER 21 HA SER 21 -8.994 0.949 -3.833 140 HB2 SER 21 1HB SER 21 -9.079 2.495 -1.224 141 HB3 SER 21 2HB SER 21 -9.551 3.101 -2.814 142 HG SER 21 HG SER 21 -11.232 1.573 -2.862 143 H LYS 22 H LYS 22 -7.500 1.908 -5.066 144 HA LYS 22 HA LYS 22 -4.758 1.953 -4.367 145 HB2 LYS 22 1HB LYS 22 -5.782 1.837 -6.662 146 HB3 LYS 22 2HB LYS 22 -6.140 3.558 -6.560 147 HG2 LYS 22 1HG LYS 22 -3.667 3.990 -6.258 148 HG3 LYS 22 2HG LYS 22 -3.374 2.258 -6.462 149 HD2 LYS 22 1HD LYS 22 -4.662 4.099 -8.530 150 HD3 LYS 22 2HD LYS 22 -2.962 3.614 -8.514 151 HE2 LYS 22 1HE LYS 22 -3.623 1.234 -8.743 152 HE3 LYS 22 2HE LYS 22 -5.328 1.708 -8.786 153 HZ1 LYS 22 3HZ LYS 22 -4.439 1.412 -11.027 154 HZ2 LYS 22 1HZ LYS 22 -3.282 2.533 -10.779 155 HZ3 LYS 22 2HZ LYS 22 -4.854 2.975 -10.817 156 H SER 23 H SER 23 -7.166 4.503 -4.070 157 HA SER 23 HA SER 23 -5.481 6.721 -3.453 158 HB2 SER 23 1HB SER 23 -7.584 7.599 -2.372 159 HB3 SER 23 2HB SER 23 -7.767 7.068 -4.053 160 HG SER 23 HG SER 23 -9.455 6.283 -2.681 161 H ASN 24 H ASN 24 -6.747 4.102 -1.371 162 HA ASN 24 HA ASN 24 -5.841 5.280 1.135 163 HB2 ASN 24 1HB ASN 24 -6.530 2.421 0.343 164 HB3 ASN 24 2HB ASN 24 -6.116 2.912 1.974 165 HD21 ASN 24 1HD2 ASN 24 -8.430 1.608 1.433 166 HD22 ASN 24 2HD2 ASN 24 -9.787 2.705 1.703 167 H LEU 25 H LEU 25 -4.463 2.727 -1.046 168 HA LEU 25 HA LEU 25 -2.065 2.488 0.413 169 HB2 LEU 25 1HB LEU 25 -2.687 0.836 -1.299 170 HB3 LEU 25 2HB LEU 25 -2.488 2.037 -2.571 171 HG LEU 25 HG LEU 25 -0.132 2.221 -2.095 172 HD11 LEU 25 1HD1 LEU 25 -0.500 0.116 0.056 173 HD12 LEU 25 2HD1 LEU 25 -0.056 1.819 0.338 174 HD13 LEU 25 3HD1 LEU 25 1.057 0.758 -0.501 175 HD21 LEU 25 3HD2 LEU 25 -0.797 0.454 -3.651 176 HD22 LEU 25 1HD2 LEU 25 -0.817 -0.704 -2.291 177 HD23 LEU 25 2HD2 LEU 25 0.700 0.063 -2.782 178 H LYS 26 H LYS 26 -2.730 4.615 -2.367 179 HA LYS 26 HA LYS 26 -0.272 5.967 -2.563 180 HB2 LYS 26 1HB LYS 26 -2.127 6.234 -4.103 181 HB3 LYS 26 2HB LYS 26 -3.120 7.016 -2.891 182 HG2 LYS 26 1HG LYS 26 -0.457 8.207 -3.751 183 HG3 LYS 26 2HG LYS 26 -1.886 8.393 -4.757 184 HD2 LYS 26 1HD LYS 26 -1.596 9.459 -1.916 185 HD3 LYS 26 2HD LYS 26 -1.520 10.373 -3.417 186 HE2 LYS 26 1HE LYS 26 -3.876 9.665 -3.934 187 HE3 LYS 26 2HE LYS 26 -3.956 8.872 -2.352 188 HZ1 LYS 26 3HZ LYS 26 -3.485 11.775 -2.783 189 HZ2 LYS 26 1HZ LYS 26 -3.551 11.049 -1.320 190 HZ3 LYS 26 2HZ LYS 26 -4.879 11.114 -2.264 191 H ALA 27 H ALA 27 -2.804 6.495 -0.134 192 HA ALA 27 HA ALA 27 -1.506 8.821 1.066 193 HB1 ALA 27 1HB ALA 27 -3.244 8.566 2.781 194 HB2 ALA 27 2HB ALA 27 -3.957 8.433 1.160 195 HB3 ALA 27 3HB ALA 27 -3.685 6.974 2.137 196 H HIS 28 H HIS 28 -1.582 5.307 1.754 197 HA HIS 28 HA HIS 28 0.032 5.344 4.123 198 HB2 HIS 28 1HB HIS 28 -1.331 3.480 3.663 199 HB3 HIS 28 2HB HIS 28 -0.648 3.250 2.061 200 HD1 HIS 28 1HD HIS 28 0.208 2.602 5.724 201 HD2 HIS 28 2HD HIS 28 1.724 2.067 1.836 202 HE1 HIS 28 1HE HIS 28 2.204 1.063 5.976 203 H MET 29 H MET 29 0.954 5.004 0.642 204 HA MET 29 HA MET 29 3.759 4.718 1.112 205 HB2 MET 29 1HB MET 29 2.319 5.854 -1.321 206 HB3 MET 29 2HB MET 29 4.004 5.332 -1.267 207 HG2 MET 29 1HG MET 29 1.532 3.608 -0.971 208 HG3 MET 29 2HG MET 29 2.684 3.571 -2.266 209 HE1 MET 29 3HE MET 29 5.052 2.514 -2.122 210 HE2 MET 29 1HE MET 29 5.514 3.535 -0.731 211 HE3 MET 29 2HE MET 29 5.731 1.766 -0.656 212 H ASN 30 H ASN 30 1.766 7.601 1.055 213 HA ASN 30 HA ASN 30 3.998 9.479 1.053 214 HB2 ASN 30 1HB ASN 30 1.024 9.693 1.539 215 HB3 ASN 30 2HB ASN 30 2.084 10.987 2.075 216 HD21 ASN 30 1HD2 ASN 30 1.050 9.184 -0.851 217 HD22 ASN 30 2HD2 ASN 30 1.559 10.468 -1.942 218 H ARG 31 H ARG 31 2.611 7.457 3.577 219 HA ARG 31 HA ARG 31 3.848 8.959 5.787 220 HB2 ARG 31 1HB ARG 31 2.908 6.070 5.768 221 HB3 ARG 31 2HB ARG 31 3.323 7.048 7.166 222 HG2 ARG 31 1HG ARG 31 1.450 8.637 6.600 223 HG3 ARG 31 2HG ARG 31 0.991 7.562 5.275 224 HD2 ARG 31 1HD ARG 31 -0.445 7.070 7.100 225 HD3 ARG 31 2HD ARG 31 0.677 5.708 6.918 226 HE ARG 31 HE ARG 31 1.746 7.570 8.814 227 HH11 ARG 31 2HH1 ARG 31 -0.900 5.278 8.655 228 HH12 ARG 31 1HH1 ARG 31 -0.903 5.026 10.380 229 HH21 ARG 31 2HH2 ARG 31 1.690 7.197 11.003 230 HH22 ARG 31 1HH2 ARG 31 0.524 6.091 11.668 231 H HIS 32 H HIS 32 4.815 6.269 3.681 232 HA HIS 32 HA HIS 32 7.343 5.793 5.023 233 HB2 HIS 32 1HB HIS 32 6.313 5.121 2.239 234 HB3 HIS 32 2HB HIS 32 7.921 4.698 2.793 235 HD1 HIS 32 1HD HIS 32 7.873 3.119 5.206 236 HD2 HIS 32 2HD HIS 32 4.693 3.133 2.467 237 HE1 HIS 32 1HE HIS 32 6.690 0.898 5.519 238 H SER 33 H SER 33 6.268 8.197 2.738 239 HA SER 33 HA SER 33 8.830 8.877 1.616 240 HB2 SER 33 1HB SER 33 6.520 9.128 0.588 241 HB3 SER 33 2HB SER 33 6.326 10.584 1.571 242 HG SER 33 HG SER 33 8.255 10.035 -0.467 243 H THR 34 H THR 34 9.705 8.910 3.877 244 HA THR 34 HA THR 34 10.213 11.697 4.761 245 HB THR 34 HB THR 34 8.267 10.990 6.056 246 HG1 THR 34 1HG THR 34 9.125 11.429 8.067 247 HG21 THR 34 3HG2 THR 34 8.641 8.529 6.097 248 HG22 THR 34 1HG2 THR 34 8.337 9.207 7.699 249 HG23 THR 34 2HG2 THR 34 9.993 8.766 7.230 250 H GLU 35 H GLU 35 11.106 8.255 4.822 251 HA GLU 35 HA GLU 35 13.660 8.766 6.134 252 HB2 GLU 35 1HB GLU 35 12.146 6.723 6.376 253 HB3 GLU 35 2HB GLU 35 12.713 6.213 4.785 254 HG2 GLU 35 1HG GLU 35 15.015 6.037 5.646 255 HG3 GLU 35 2HG GLU 35 14.529 6.770 7.178 256 H LYS 36 H LYS 36 12.710 9.472 3.150 257 HA LYS 36 HA LYS 36 15.381 9.136 1.841 258 HB2 LYS 36 1HB LYS 36 12.635 8.830 0.550 259 HB3 LYS 36 2HB LYS 36 14.154 8.874 -0.326 260 HG2 LYS 36 1HG LYS 36 13.277 6.735 1.665 261 HG3 LYS 36 2HG LYS 36 13.307 6.586 -0.084 262 HD2 LYS 36 1HD LYS 36 15.744 6.879 1.724 263 HD3 LYS 36 2HD LYS 36 15.187 5.409 0.927 264 HE2 LYS 36 1HE LYS 36 15.541 6.483 -1.296 265 HE3 LYS 36 2HE LYS 36 16.139 7.938 -0.488 266 HZ1 LYS 36 3HZ LYS 36 17.967 6.502 -1.174 267 HZ2 LYS 36 1HZ LYS 36 17.395 5.251 -0.299 268 HZ3 LYS 36 2HZ LYS 36 17.943 6.595 0.452 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 5.728 -14.635 -11.239 2 H2 GLY 1 2H GLY 1 4.160 -14.468 -11.679 3 H3 GLY 1 3H GLY 1 5.346 -14.323 -12.803 4 HA2 GLY 1 1HA GLY 1 4.285 -16.459 -13.054 5 HA3 GLY 1 2HA GLY 1 5.969 -16.642 -12.527 6 H SER 2 H SER 2 3.159 -18.064 -12.068 7 HA SER 2 HA SER 2 1.925 -19.026 -10.431 8 HB2 SER 2 1HB SER 2 4.586 -19.309 -9.003 9 HB3 SER 2 2HB SER 2 3.112 -20.243 -8.684 10 HG SER 2 HG SER 2 4.566 -21.346 -10.089 11 H SER 3 H SER 3 1.876 -16.233 -10.340 12 HA SER 3 HA SER 3 2.391 -15.123 -7.783 13 HB2 SER 3 1HB SER 3 0.539 -14.027 -9.922 14 HB3 SER 3 2HB SER 3 1.425 -13.118 -8.687 15 HG SER 3 HG SER 3 2.490 -13.011 -10.682 16 H GLY 4 H GLY 4 -0.444 -16.811 -8.894 17 HA2 GLY 4 1HA GLY 4 -2.381 -17.429 -7.791 18 HA3 GLY 4 2HA GLY 4 -1.787 -16.647 -6.331 19 H SER 5 H SER 5 -4.300 -16.402 -6.510 20 HA SER 5 HA SER 5 -4.987 -13.716 -7.642 21 HB2 SER 5 1HB SER 5 -7.235 -14.625 -8.066 22 HB3 SER 5 2HB SER 5 -5.976 -15.502 -8.949 23 HG SER 5 HG SER 5 -7.474 -16.925 -7.928 24 H SER 6 H SER 6 -4.507 -15.171 -4.721 25 HA SER 6 HA SER 6 -6.861 -14.116 -3.300 26 HB2 SER 6 1HB SER 6 -5.781 -16.352 -2.831 27 HB3 SER 6 2HB SER 6 -4.419 -15.466 -2.117 28 HG SER 6 HG SER 6 -6.048 -16.088 -0.579 29 H GLY 7 H GLY 7 -6.427 -12.983 -1.178 30 HA2 GLY 7 1HA GLY 7 -5.577 -11.239 0.097 31 HA3 GLY 7 2HA GLY 7 -4.174 -11.154 -0.957 32 H LYS 8 H LYS 8 -4.632 -8.852 -0.313 33 HA LYS 8 HA LYS 8 -6.862 -7.444 -1.574 34 HB2 LYS 8 1HB LYS 8 -4.563 -6.703 0.229 35 HB3 LYS 8 2HB LYS 8 -5.385 -5.428 -0.655 36 HG2 LYS 8 1HG LYS 8 -6.343 -5.555 1.514 37 HG3 LYS 8 2HG LYS 8 -7.549 -6.095 0.344 38 HD2 LYS 8 1HD LYS 8 -7.176 -8.437 0.976 39 HD3 LYS 8 2HD LYS 8 -5.824 -7.964 2.036 40 HE2 LYS 8 1HE LYS 8 -7.389 -6.616 3.411 41 HE3 LYS 8 2HE LYS 8 -8.730 -7.086 2.358 42 HZ1 LYS 8 3HZ LYS 8 -7.113 -8.969 3.998 43 HZ2 LYS 8 1HZ LYS 8 -8.356 -9.403 3.026 44 HZ3 LYS 8 2HZ LYS 8 -8.630 -8.482 4.342 45 HA PRO 9 HA PRO 9 -5.034 -6.398 -5.410 46 HB2 PRO 9 1HB PRO 9 -6.188 -4.005 -6.056 47 HB3 PRO 9 2HB PRO 9 -7.079 -5.557 -6.003 48 HG2 PRO 9 1HG PRO 9 -6.833 -3.495 -3.784 49 HG3 PRO 9 2HG PRO 9 -8.344 -4.199 -4.465 50 HD2 PRO 9 1HD PRO 9 -7.232 -5.186 -2.217 51 HD3 PRO 9 2HD PRO 9 -7.854 -6.315 -3.462 52 H PHE 10 H PHE 10 -4.812 -3.719 -2.992 53 HA PHE 10 HA PHE 10 -2.270 -2.791 -4.286 54 HB2 PHE 10 1HB PHE 10 -4.163 -1.171 -2.594 55 HB3 PHE 10 2HB PHE 10 -2.782 -0.608 -3.497 56 HD1 PHE 10 1HD PHE 10 -2.735 -0.965 -6.055 57 HD2 PHE 10 2HD PHE 10 -6.312 -1.180 -3.669 58 HE1 PHE 10 1HE PHE 10 -4.103 -0.737 -8.098 59 HE2 PHE 10 2HE PHE 10 -7.696 -0.948 -5.723 60 HZ PHE 10 HZ PHE 10 -6.596 -0.724 -7.945 61 H LYS 11 H LYS 11 -0.986 -4.107 -3.385 62 HA LYS 11 HA LYS 11 -0.528 -4.126 -0.441 63 HB2 LYS 11 1HB LYS 11 -0.792 -6.245 -1.819 64 HB3 LYS 11 2HB LYS 11 0.719 -5.852 -2.620 65 HG2 LYS 11 1HG LYS 11 0.334 -6.466 0.349 66 HG3 LYS 11 2HG LYS 11 0.973 -7.550 -0.884 67 HD2 LYS 11 1HD LYS 11 2.802 -5.756 -1.264 68 HD3 LYS 11 2HD LYS 11 2.252 -5.087 0.295 69 HE2 LYS 11 1HE LYS 11 2.706 -7.244 1.390 70 HE3 LYS 11 2HE LYS 11 3.239 -7.927 -0.157 71 HZ1 LYS 11 3HZ LYS 11 5.137 -7.121 1.145 72 HZ2 LYS 11 1HZ LYS 11 4.492 -5.608 1.214 73 HZ3 LYS 11 2HZ LYS 11 4.987 -6.215 -0.214 74 H CYS 12 H CYS 12 0.872 -2.807 0.334 75 HA CYS 12 HA CYS 12 2.461 -0.873 -0.898 76 HB2 CYS 12 1HB CYS 12 1.729 -0.903 1.427 77 HB3 CYS 12 2HB CYS 12 2.734 -2.321 1.754 78 H SER 13 H SER 13 4.438 -0.772 -1.814 79 HA SER 13 HA SER 13 5.870 -3.229 -2.455 80 HB2 SER 13 1HB SER 13 7.354 -1.722 -3.742 81 HB3 SER 13 2HB SER 13 5.639 -1.529 -4.138 82 HG SER 13 HG SER 13 6.709 0.489 -3.867 83 H LEU 14 H LEU 14 5.895 -1.434 0.304 84 HA LEU 14 HA LEU 14 8.829 -1.727 0.858 85 HB2 LEU 14 1HB LEU 14 6.818 0.213 2.048 86 HB3 LEU 14 2HB LEU 14 8.551 0.241 2.268 87 HG LEU 14 HG LEU 14 7.192 0.655 -0.441 88 HD11 LEU 14 1HD1 LEU 14 7.642 3.023 -0.193 89 HD12 LEU 14 2HD1 LEU 14 8.266 2.745 1.457 90 HD13 LEU 14 3HD1 LEU 14 6.554 2.434 1.058 91 HD21 LEU 14 3HD2 LEU 14 9.381 1.570 -1.117 92 HD22 LEU 14 1HD2 LEU 14 9.522 -0.119 -0.613 93 HD23 LEU 14 2HD2 LEU 14 10.046 1.178 0.488 94 H CYS 15 H CYS 15 5.594 -2.040 2.238 95 HA CYS 15 HA CYS 15 6.649 -3.858 4.357 96 HB2 CYS 15 1HB CYS 15 5.617 -2.727 6.088 97 HB3 CYS 15 2HB CYS 15 6.337 -1.462 5.123 98 H GLU 16 H GLU 16 4.475 -4.529 5.698 99 HA GLU 16 HA GLU 16 3.084 -6.287 3.773 100 HB2 GLU 16 1HB GLU 16 4.313 -7.005 5.964 101 HB3 GLU 16 2HB GLU 16 2.858 -6.447 6.790 102 HG2 GLU 16 1HG GLU 16 1.513 -8.103 5.506 103 HG3 GLU 16 2HG GLU 16 2.939 -8.544 4.567 104 H TYR 17 H TYR 17 2.424 -3.285 4.558 105 HA TYR 17 HA TYR 17 -0.400 -3.379 5.207 106 HB2 TYR 17 1HB TYR 17 0.981 -1.399 5.457 107 HB3 TYR 17 2HB TYR 17 1.324 -1.359 3.747 108 HD1 TYR 17 1HD TYR 17 -0.453 -0.721 2.107 109 HD2 TYR 17 2HD TYR 17 -1.127 -0.494 6.353 110 HE1 TYR 17 1HE TYR 17 -2.405 0.792 1.715 111 HE2 TYR 17 2HE TYR 17 -3.069 1.016 5.959 112 HH TYR 17 HH TYR 17 -4.386 2.062 4.402 113 H ALA 18 H ALA 18 -2.194 -3.531 3.965 114 HA ALA 18 HA ALA 18 -2.019 -3.096 1.122 115 HB1 ALA 18 1HB ALA 18 -2.900 -5.186 0.360 116 HB2 ALA 18 2HB ALA 18 -1.491 -5.557 1.383 117 HB3 ALA 18 3HB ALA 18 -3.126 -5.776 2.035 118 H THR 19 H THR 19 -4.005 -2.739 0.083 119 HA THR 19 HA THR 19 -6.476 -2.534 1.730 120 HB THR 19 HB THR 19 -5.361 -0.408 2.071 121 HG1 THR 19 1HG THR 19 -7.075 0.732 1.637 122 HG21 THR 19 3HG2 THR 19 -5.305 -0.065 -0.941 123 HG22 THR 19 1HG2 THR 19 -3.891 -0.325 0.110 124 HG23 THR 19 2HG2 THR 19 -4.869 1.122 0.301 125 H ARG 20 H ARG 20 -8.355 -1.981 0.497 126 HA ARG 20 HA ARG 20 -8.506 -3.294 -2.152 127 HB2 ARG 20 1HB ARG 20 -10.548 -2.279 -0.158 128 HB3 ARG 20 2HB ARG 20 -11.019 -2.753 -1.782 129 HG2 ARG 20 1HG ARG 20 -9.496 -4.616 0.087 130 HG3 ARG 20 2HG ARG 20 -11.250 -4.536 0.045 131 HD2 ARG 20 1HD ARG 20 -9.542 -5.207 -2.386 132 HD3 ARG 20 2HD ARG 20 -10.268 -6.401 -1.306 133 HE ARG 20 HE ARG 20 -12.315 -4.627 -2.191 134 HH11 ARG 20 2HH1 ARG 20 -10.363 -7.224 -3.516 135 HH12 ARG 20 1HH1 ARG 20 -11.526 -7.572 -4.765 136 HH21 ARG 20 2HH2 ARG 20 -13.751 -5.139 -3.800 137 HH22 ARG 20 1HH2 ARG 20 -13.395 -6.432 -4.905 138 H SER 21 H SER 21 -7.987 -0.115 -1.070 139 HA SER 21 HA SER 21 -8.959 0.993 -3.692 140 HB2 SER 21 1HB SER 21 -9.007 2.311 -0.961 141 HB3 SER 21 2HB SER 21 -9.459 3.079 -2.498 142 HG SER 21 HG SER 21 -11.284 2.245 -1.366 143 H LYS 22 H LYS 22 -7.444 1.826 -4.946 144 HA LYS 22 HA LYS 22 -4.705 2.037 -4.311 145 HB2 LYS 22 1HB LYS 22 -5.790 1.880 -6.586 146 HB3 LYS 22 2HB LYS 22 -6.212 3.588 -6.465 147 HG2 LYS 22 1HG LYS 22 -3.745 4.107 -6.207 148 HG3 LYS 22 2HG LYS 22 -3.398 2.392 -6.462 149 HD2 LYS 22 1HD LYS 22 -4.808 4.243 -8.443 150 HD3 LYS 22 2HD LYS 22 -3.093 3.808 -8.490 151 HE2 LYS 22 1HE LYS 22 -3.693 1.418 -8.768 152 HE3 LYS 22 2HE LYS 22 -5.411 1.839 -8.742 153 HZ1 LYS 22 3HZ LYS 22 -5.044 3.175 -10.751 154 HZ2 LYS 22 1HZ LYS 22 -4.589 1.631 -11.017 155 HZ3 LYS 22 2HZ LYS 22 -3.459 2.781 -10.776 156 H SER 23 H SER 23 -7.219 4.501 -4.063 157 HA SER 23 HA SER 23 -5.703 6.829 -3.511 158 HB2 SER 23 1HB SER 23 -7.795 7.578 -2.381 159 HB3 SER 23 2HB SER 23 -8.101 6.844 -3.966 160 HG SER 23 HG SER 23 -9.549 6.022 -2.426 161 H ASN 24 H ASN 24 -6.550 4.112 -1.405 162 HA ASN 24 HA ASN 24 -5.685 5.501 1.053 163 HB2 ASN 24 1HB ASN 24 -6.911 2.791 0.431 164 HB3 ASN 24 2HB ASN 24 -6.206 3.157 2.004 165 HD21 ASN 24 1HD2 ASN 24 -8.473 4.881 -0.307 166 HD22 ASN 24 2HD2 ASN 24 -9.584 5.283 0.988 167 H LEU 25 H LEU 25 -4.467 2.803 -1.051 168 HA LEU 25 HA LEU 25 -2.078 2.501 0.443 169 HB2 LEU 25 1HB LEU 25 -2.666 0.841 -1.242 170 HB3 LEU 25 2HB LEU 25 -2.500 2.024 -2.538 171 HG LEU 25 HG LEU 25 -0.136 2.218 -2.080 172 HD11 LEU 25 1HD1 LEU 25 1.053 0.797 -0.448 173 HD12 LEU 25 2HD1 LEU 25 -0.505 0.145 0.105 174 HD13 LEU 25 3HD1 LEU 25 -0.081 1.853 0.371 175 HD21 LEU 25 3HD2 LEU 25 -0.834 -0.706 -2.232 176 HD22 LEU 25 1HD2 LEU 25 0.699 0.042 -2.715 177 HD23 LEU 25 2HD2 LEU 25 -0.781 0.438 -3.607 178 H LYS 26 H LYS 26 -2.726 4.624 -2.331 179 HA LYS 26 HA LYS 26 -0.271 5.972 -2.603 180 HB2 LYS 26 1HB LYS 26 -2.301 6.331 -3.999 181 HB3 LYS 26 2HB LYS 26 -3.109 7.088 -2.632 182 HG2 LYS 26 1HG LYS 26 -1.102 8.833 -2.741 183 HG3 LYS 26 2HG LYS 26 -0.849 8.139 -4.344 184 HD2 LYS 26 1HD LYS 26 -2.258 10.006 -4.681 185 HD3 LYS 26 2HD LYS 26 -3.350 8.604 -4.760 186 HE2 LYS 26 1HE LYS 26 -4.050 9.002 -2.420 187 HE3 LYS 26 2HE LYS 26 -2.896 10.334 -2.283 188 HZ1 LYS 26 3HZ LYS 26 -5.211 10.295 -4.150 189 HZ2 LYS 26 1HZ LYS 26 -4.146 11.522 -3.996 190 HZ3 LYS 26 2HZ LYS 26 -5.137 11.145 -2.758 191 H ALA 27 H ALA 27 -2.806 6.574 -0.220 192 HA ALA 27 HA ALA 27 -1.511 8.826 1.081 193 HB1 ALA 27 1HB ALA 27 -3.298 8.581 2.739 194 HB2 ALA 27 2HB ALA 27 -3.960 8.466 1.096 195 HB3 ALA 27 3HB ALA 27 -3.740 6.997 2.074 196 H HIS 28 H HIS 28 -1.580 5.307 1.742 197 HA HIS 28 HA HIS 28 -0.009 5.380 4.156 198 HB2 HIS 28 1HB HIS 28 -1.415 3.537 3.731 199 HB3 HIS 28 2HB HIS 28 -0.720 3.248 2.141 200 HD1 HIS 28 1HD HIS 28 0.129 2.738 5.845 201 HD2 HIS 28 2HD HIS 28 1.597 1.960 1.983 202 HE1 HIS 28 1HE HIS 28 2.105 1.178 6.158 203 H MET 29 H MET 29 0.874 5.022 0.695 204 HA MET 29 HA MET 29 3.672 4.564 1.052 205 HB2 MET 29 1HB MET 29 2.226 5.905 -1.260 206 HB3 MET 29 2HB MET 29 3.860 5.257 -1.315 207 HG2 MET 29 1HG MET 29 1.863 3.236 -0.433 208 HG3 MET 29 2HG MET 29 1.499 3.966 -1.957 209 HE1 MET 29 3HE MET 29 5.091 3.131 -0.577 210 HE2 MET 29 1HE MET 29 3.922 1.938 0.029 211 HE3 MET 29 2HE MET 29 5.180 1.437 -1.126 212 H ASN 30 H ASN 30 1.800 7.593 0.957 213 HA ASN 30 HA ASN 30 4.063 9.372 0.928 214 HB2 ASN 30 1HB ASN 30 1.138 9.635 1.639 215 HB3 ASN 30 2HB ASN 30 2.259 10.899 2.127 216 HD21 ASN 30 1HD2 ASN 30 1.066 9.143 -0.787 217 HD22 ASN 30 2HD2 ASN 30 1.501 10.463 -1.868 218 H ARG 31 H ARG 31 2.563 7.563 3.609 219 HA ARG 31 HA ARG 31 3.946 8.966 5.743 220 HB2 ARG 31 1HB ARG 31 2.990 6.075 5.762 221 HB3 ARG 31 2HB ARG 31 3.337 7.094 7.154 222 HG2 ARG 31 1HG ARG 31 1.448 8.591 6.567 223 HG3 ARG 31 2HG ARG 31 1.080 7.568 5.166 224 HD2 ARG 31 1HD ARG 31 0.753 5.625 6.696 225 HD3 ARG 31 2HD ARG 31 0.992 6.717 8.078 226 HE ARG 31 HE ARG 31 -1.033 7.799 6.382 227 HH11 ARG 31 2HH1 ARG 31 -0.667 5.126 8.619 228 HH12 ARG 31 1HH1 ARG 31 -2.375 5.053 8.954 229 HH21 ARG 31 2HH2 ARG 31 -3.200 7.662 6.871 230 HH22 ARG 31 1HH2 ARG 31 -3.764 6.456 7.988 231 H HIS 32 H HIS 32 4.863 6.261 3.655 232 HA HIS 32 HA HIS 32 7.409 5.775 5.010 233 HB2 HIS 32 1HB HIS 32 6.381 5.034 2.241 234 HB3 HIS 32 2HB HIS 32 7.958 4.594 2.858 235 HD1 HIS 32 1HD HIS 32 7.865 2.996 5.201 236 HD2 HIS 32 2HD HIS 32 4.597 3.177 2.565 237 HE1 HIS 32 1HE HIS 32 6.576 0.844 5.558 238 H SER 33 H SER 33 6.290 7.846 2.348 239 HA SER 33 HA SER 33 8.893 8.517 1.348 240 HB2 SER 33 1HB SER 33 6.739 8.511 0.069 241 HB3 SER 33 2HB SER 33 6.276 9.995 0.927 242 HG SER 33 HG SER 33 7.283 10.387 -1.125 243 H THR 34 H THR 34 6.728 10.266 3.650 244 HA THR 34 HA THR 34 8.306 12.677 3.624 245 HB THR 34 HB THR 34 7.026 13.281 5.687 246 HG1 THR 34 1HG THR 34 5.287 11.935 6.220 247 HG21 THR 34 3HG2 THR 34 4.862 13.513 4.554 248 HG22 THR 34 1HG2 THR 34 5.357 12.333 3.321 249 HG23 THR 34 2HG2 THR 34 6.198 13.889 3.455 250 H GLU 35 H GLU 35 9.635 13.595 5.156 251 HA GLU 35 HA GLU 35 11.307 11.682 6.680 252 HB2 GLU 35 1HB GLU 35 13.026 13.363 6.567 253 HB3 GLU 35 2HB GLU 35 12.363 13.050 4.965 254 HG2 GLU 35 1HG GLU 35 10.990 15.125 5.122 255 HG3 GLU 35 2HG GLU 35 11.649 15.441 6.727 256 H LYS 36 H LYS 36 8.684 13.206 7.555 257 HA LYS 36 HA LYS 36 9.427 14.814 9.850 258 HB2 LYS 36 1HB LYS 36 6.752 13.633 8.992 259 HB3 LYS 36 2HB LYS 36 6.982 14.783 10.313 260 HG2 LYS 36 1HG LYS 36 7.906 16.450 8.722 261 HG3 LYS 36 2HG LYS 36 7.636 15.322 7.379 262 HD2 LYS 36 1HD LYS 36 5.207 15.283 7.904 263 HD3 LYS 36 2HD LYS 36 5.459 16.460 9.198 264 HE2 LYS 36 1HE LYS 36 6.108 16.924 6.245 265 HE3 LYS 36 2HE LYS 36 4.605 17.416 7.027 266 HZ1 LYS 36 3HZ LYS 36 6.159 19.254 6.957 267 HZ2 LYS 36 1HZ LYS 36 7.302 18.419 7.766 268 HZ3 LYS 36 2HZ LYS 36 5.909 18.843 8.514 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -3.682 -16.039 -2.972 2 H2 GLY 1 2H GLY 1 -4.039 -17.587 -3.368 3 H3 GLY 1 3H GLY 1 -2.841 -16.796 -4.156 4 HA2 GLY 1 1HA GLY 1 -1.899 -18.354 -2.583 5 HA3 GLY 1 2HA GLY 1 -1.499 -16.676 -2.175 6 H SER 2 H SER 2 -2.018 -19.346 -0.622 7 HA SER 2 HA SER 2 -4.216 -18.606 1.191 8 HB2 SER 2 1HB SER 2 -3.807 -20.865 2.126 9 HB3 SER 2 2HB SER 2 -4.128 -20.865 0.386 10 HG SER 2 HG SER 2 -2.334 -22.201 0.950 11 H SER 3 H SER 3 -0.996 -17.771 1.159 12 HA SER 3 HA SER 3 -0.210 -18.288 3.850 13 HB2 SER 3 1HB SER 3 1.019 -16.338 1.877 14 HB3 SER 3 2HB SER 3 1.804 -17.074 3.288 15 HG SER 3 HG SER 3 2.338 -18.170 1.350 16 H GLY 4 H GLY 4 -2.698 -16.685 3.790 17 HA2 GLY 4 1HA GLY 4 -2.280 -14.908 5.939 18 HA3 GLY 4 2HA GLY 4 -2.252 -13.936 4.465 19 H SER 5 H SER 5 -4.127 -12.996 5.715 20 HA SER 5 HA SER 5 -6.661 -14.403 5.799 21 HB2 SER 5 1HB SER 5 -7.499 -12.190 6.606 22 HB3 SER 5 2HB SER 5 -6.147 -12.862 7.528 23 HG SER 5 HG SER 5 -5.742 -10.695 7.147 24 H SER 6 H SER 6 -6.158 -14.841 3.355 25 HA SER 6 HA SER 6 -6.674 -14.688 1.167 26 HB2 SER 6 1HB SER 6 -8.877 -12.764 1.975 27 HB3 SER 6 2HB SER 6 -8.692 -13.534 0.397 28 HG SER 6 HG SER 6 -9.065 -14.864 2.891 29 H GLY 7 H GLY 7 -6.788 -13.240 -0.805 30 HA2 GLY 7 1HA GLY 7 -4.506 -11.455 -0.736 31 HA3 GLY 7 2HA GLY 7 -5.487 -11.860 -2.139 32 H LYS 8 H LYS 8 -4.412 -9.341 -1.572 33 HA LYS 8 HA LYS 8 -6.854 -7.633 -1.529 34 HB2 LYS 8 1HB LYS 8 -4.227 -6.986 -0.124 35 HB3 LYS 8 2HB LYS 8 -5.532 -5.841 -0.410 36 HG2 LYS 8 1HG LYS 8 -6.050 -6.388 1.725 37 HG3 LYS 8 2HG LYS 8 -7.004 -7.624 0.901 38 HD2 LYS 8 1HD LYS 8 -5.058 -9.225 1.258 39 HD3 LYS 8 2HD LYS 8 -4.227 -7.952 2.155 40 HE2 LYS 8 1HE LYS 8 -5.996 -7.919 3.843 41 HE3 LYS 8 2HE LYS 8 -6.977 -9.043 2.886 42 HZ1 LYS 8 3HZ LYS 8 -4.330 -9.709 4.056 43 HZ2 LYS 8 1HZ LYS 8 -5.272 -10.713 3.153 44 HZ3 LYS 8 2HZ LYS 8 -5.770 -10.233 4.630 45 HA PRO 9 HA PRO 9 -5.138 -6.463 -5.371 46 HB2 PRO 9 1HB PRO 9 -6.376 -4.098 -5.958 47 HB3 PRO 9 2HB PRO 9 -7.231 -5.670 -5.874 48 HG2 PRO 9 1HG PRO 9 -6.959 -3.593 -3.677 49 HG3 PRO 9 2HG PRO 9 -8.468 -4.356 -4.287 50 HD2 PRO 9 1HD PRO 9 -7.199 -5.275 -2.070 51 HD3 PRO 9 2HD PRO 9 -7.899 -6.429 -3.248 52 H PHE 10 H PHE 10 -4.864 -3.833 -2.905 53 HA PHE 10 HA PHE 10 -2.345 -2.902 -4.243 54 HB2 PHE 10 1HB PHE 10 -4.195 -1.231 -2.555 55 HB3 PHE 10 2HB PHE 10 -2.837 -0.712 -3.514 56 HD1 PHE 10 1HD PHE 10 -2.853 -1.081 -6.047 57 HD2 PHE 10 2HD PHE 10 -6.381 -1.291 -3.586 58 HE1 PHE 10 1HE PHE 10 -4.259 -0.867 -8.063 59 HE2 PHE 10 2HE PHE 10 -7.808 -1.097 -5.614 60 HZ PHE 10 HZ PHE 10 -6.751 -0.893 -7.865 61 H LYS 11 H LYS 11 -1.084 -4.232 -3.336 62 HA LYS 11 HA LYS 11 -0.468 -4.156 -0.427 63 HB2 LYS 11 1HB LYS 11 -0.464 -6.354 -1.302 64 HB3 LYS 11 2HB LYS 11 0.355 -5.869 -2.776 65 HG2 LYS 11 1HG LYS 11 1.807 -7.205 -1.448 66 HG3 LYS 11 2HG LYS 11 2.467 -5.585 -1.602 67 HD2 LYS 11 1HD LYS 11 1.782 -5.078 0.707 68 HD3 LYS 11 2HD LYS 11 1.070 -6.693 0.876 69 HE2 LYS 11 1HE LYS 11 3.983 -6.127 0.129 70 HE3 LYS 11 2HE LYS 11 3.452 -6.372 1.778 71 HZ1 LYS 11 3HZ LYS 11 2.689 -8.614 1.146 72 HZ2 LYS 11 1HZ LYS 11 4.287 -8.435 0.859 73 HZ3 LYS 11 2HZ LYS 11 3.234 -8.397 -0.381 74 H CYS 12 H CYS 12 0.887 -2.807 0.313 75 HA CYS 12 HA CYS 12 2.442 -0.828 -0.954 76 HB2 CYS 12 1HB CYS 12 1.727 -0.880 1.388 77 HB3 CYS 12 2HB CYS 12 2.744 -2.292 1.691 78 H SER 13 H SER 13 4.489 -0.727 -1.752 79 HA SER 13 HA SER 13 5.859 -3.230 -2.449 80 HB2 SER 13 1HB SER 13 7.334 -1.757 -3.769 81 HB3 SER 13 2HB SER 13 5.618 -1.545 -4.153 82 HG SER 13 HG SER 13 6.721 0.461 -3.913 83 H LEU 14 H LEU 14 5.902 -1.360 0.269 84 HA LEU 14 HA LEU 14 8.840 -1.633 0.809 85 HB2 LEU 14 1HB LEU 14 6.804 0.264 2.025 86 HB3 LEU 14 2HB LEU 14 8.537 0.321 2.235 87 HG LEU 14 HG LEU 14 7.166 0.732 -0.467 88 HD11 LEU 14 1HD1 LEU 14 6.487 2.494 1.022 89 HD12 LEU 14 2HD1 LEU 14 7.603 3.114 -0.190 90 HD13 LEU 14 3HD1 LEU 14 8.184 2.817 1.472 91 HD21 LEU 14 3HD2 LEU 14 10.009 1.299 0.464 92 HD22 LEU 14 1HD2 LEU 14 9.336 1.691 -1.136 93 HD23 LEU 14 2HD2 LEU 14 9.508 0.002 -0.646 94 H CYS 15 H CYS 15 5.621 -2.012 2.187 95 HA CYS 15 HA CYS 15 6.685 -3.842 4.283 96 HB2 CYS 15 1HB CYS 15 5.607 -2.748 6.029 97 HB3 CYS 15 2HB CYS 15 6.377 -1.478 5.116 98 H GLU 16 H GLU 16 4.553 -4.596 5.588 99 HA GLU 16 HA GLU 16 3.123 -6.254 3.609 100 HB2 GLU 16 1HB GLU 16 4.369 -7.066 5.751 101 HB3 GLU 16 2HB GLU 16 2.936 -6.526 6.623 102 HG2 GLU 16 1HG GLU 16 1.553 -8.128 5.320 103 HG3 GLU 16 2HG GLU 16 2.949 -8.539 4.323 104 H TYR 17 H TYR 17 2.469 -3.282 4.510 105 HA TYR 17 HA TYR 17 -0.334 -3.376 5.212 106 HB2 TYR 17 1HB TYR 17 1.072 -1.403 5.442 107 HB3 TYR 17 2HB TYR 17 1.363 -1.349 3.722 108 HD1 TYR 17 1HD TYR 17 -0.412 -0.604 2.155 109 HD2 TYR 17 2HD TYR 17 -1.054 -0.608 6.413 110 HE1 TYR 17 1HE TYR 17 -2.371 0.938 1.857 111 HE2 TYR 17 2HE TYR 17 -3.009 0.907 6.115 112 HH TYR 17 HH TYR 17 -4.325 2.004 4.655 113 H ALA 18 H ALA 18 -2.155 -3.548 4.014 114 HA ALA 18 HA ALA 18 -2.040 -3.065 1.170 115 HB1 ALA 18 1HB ALA 18 -1.499 -5.503 1.328 116 HB2 ALA 18 2HB ALA 18 -3.065 -5.764 2.127 117 HB3 ALA 18 3HB ALA 18 -3.004 -5.163 0.444 118 H THR 19 H THR 19 -4.027 -2.711 0.171 119 HA THR 19 HA THR 19 -6.472 -2.464 1.852 120 HB THR 19 HB THR 19 -5.322 -0.318 2.107 121 HG1 THR 19 1HG THR 19 -7.386 0.140 1.999 122 HG21 THR 19 3HG2 THR 19 -4.847 1.128 0.283 123 HG22 THR 19 1HG2 THR 19 -5.347 -0.083 -0.911 124 HG23 THR 19 2HG2 THR 19 -3.909 -0.348 0.113 125 H ARG 20 H ARG 20 -8.363 -1.909 0.607 126 HA ARG 20 HA ARG 20 -8.514 -3.257 -2.026 127 HB2 ARG 20 1HB ARG 20 -10.554 -2.321 0.006 128 HB3 ARG 20 2HB ARG 20 -11.040 -2.812 -1.608 129 HG2 ARG 20 1HG ARG 20 -9.355 -4.629 0.164 130 HG3 ARG 20 2HG ARG 20 -11.107 -4.598 0.274 131 HD2 ARG 20 1HD ARG 20 -9.608 -5.173 -2.310 132 HD3 ARG 20 2HD ARG 20 -10.150 -6.422 -1.205 133 HE ARG 20 HE ARG 20 -11.779 -4.808 -3.043 134 HH11 ARG 20 2HH2 ARG 20 -11.982 -6.953 -0.273 135 HH12 ARG 20 1HH2 ARG 20 -13.658 -7.320 -0.577 136 HH21 ARG 20 2HH1 ARG 20 -13.908 -5.320 -3.361 137 HH22 ARG 20 1HH1 ARG 20 -14.712 -6.419 -2.278 138 H SER 21 H SER 21 -7.962 -0.094 -0.999 139 HA SER 21 HA SER 21 -8.997 1.010 -3.597 140 HB2 SER 21 1HB SER 21 -8.996 2.317 -0.857 141 HB3 SER 21 2HB SER 21 -9.431 3.118 -2.382 142 HG SER 21 HG SER 21 -11.274 2.312 -1.252 143 H LYS 22 H LYS 22 -7.445 1.733 -4.887 144 HA LYS 22 HA LYS 22 -4.724 1.913 -4.199 145 HB2 LYS 22 1HB LYS 22 -4.354 2.813 -6.390 146 HB3 LYS 22 2HB LYS 22 -5.582 1.559 -6.465 147 HG2 LYS 22 1HG LYS 22 -7.343 3.420 -6.460 148 HG3 LYS 22 2HG LYS 22 -6.011 4.561 -6.686 149 HD2 LYS 22 1HD LYS 22 -6.768 2.264 -8.544 150 HD3 LYS 22 2HD LYS 22 -7.094 3.982 -8.812 151 HE2 LYS 22 1HE LYS 22 -4.627 4.424 -8.818 152 HE3 LYS 22 2HE LYS 22 -4.336 2.688 -8.635 153 HZ1 LYS 22 3HZ LYS 22 -5.475 2.340 -10.764 154 HZ2 LYS 22 1HZ LYS 22 -4.216 3.360 -10.963 155 HZ3 LYS 22 2HZ LYS 22 -5.738 3.943 -10.934 156 H SER 23 H SER 23 -7.093 4.554 -4.234 157 HA SER 23 HA SER 23 -5.278 6.691 -3.713 158 HB2 SER 23 1HB SER 23 -8.200 6.416 -2.910 159 HB3 SER 23 2HB SER 23 -7.271 7.926 -2.990 160 HG SER 23 HG SER 23 -8.507 7.548 -4.903 161 H ASN 24 H ASN 24 -6.507 4.200 -1.560 162 HA ASN 24 HA ASN 24 -5.736 5.680 0.869 163 HB2 ASN 24 1HB ASN 24 -7.748 3.988 0.487 164 HB3 ASN 24 2HB ASN 24 -6.531 2.769 0.856 165 HD21 ASN 24 1HD2 ASN 24 -5.277 3.201 3.022 166 HD22 ASN 24 2HD2 ASN 24 -6.231 3.952 4.290 167 H LEU 25 H LEU 25 -4.513 2.866 -1.072 168 HA LEU 25 HA LEU 25 -2.151 2.542 0.470 169 HB2 LEU 25 1HB LEU 25 -2.724 0.868 -1.199 170 HB3 LEU 25 2HB LEU 25 -2.572 2.037 -2.508 171 HG LEU 25 HG LEU 25 -0.192 2.207 -2.090 172 HD11 LEU 25 1HD1 LEU 25 0.989 0.792 -0.450 173 HD12 LEU 25 2HD1 LEU 25 -0.567 0.151 0.117 174 HD13 LEU 25 3HD1 LEU 25 -0.134 1.858 0.377 175 HD21 LEU 25 3HD2 LEU 25 -0.967 -0.702 -2.201 176 HD22 LEU 25 1HD2 LEU 25 0.577 -0.001 -2.715 177 HD23 LEU 25 2HD2 LEU 25 -0.907 0.425 -3.587 178 H LYS 26 H LYS 26 -2.715 4.617 -2.346 179 HA LYS 26 HA LYS 26 -0.255 5.941 -2.633 180 HB2 LYS 26 1HB LYS 26 -2.273 6.294 -4.033 181 HB3 LYS 26 2HB LYS 26 -3.082 7.068 -2.678 182 HG2 LYS 26 1HG LYS 26 -1.146 8.845 -2.791 183 HG3 LYS 26 2HG LYS 26 -0.789 8.105 -4.358 184 HD2 LYS 26 1HD LYS 26 -2.237 9.905 -4.842 185 HD3 LYS 26 2HD LYS 26 -3.285 8.469 -4.900 186 HE2 LYS 26 1HE LYS 26 -4.083 8.958 -2.600 187 HE3 LYS 26 2HE LYS 26 -2.997 10.348 -2.511 188 HZ1 LYS 26 3HZ LYS 26 -5.238 10.078 -4.449 189 HZ2 LYS 26 1HZ LYS 26 -4.236 11.363 -4.340 190 HZ3 LYS 26 2HZ LYS 26 -5.253 11.020 -3.114 191 H ALA 27 H ALA 27 -2.775 6.619 -0.261 192 HA ALA 27 HA ALA 27 -1.442 8.863 1.011 193 HB1 ALA 27 1HB ALA 27 -3.206 8.663 2.691 194 HB2 ALA 27 2HB ALA 27 -3.898 8.523 1.062 195 HB3 ALA 27 3HB ALA 27 -3.674 7.071 2.066 196 H HIS 28 H HIS 28 -1.589 5.354 1.751 197 HA HIS 28 HA HIS 28 0.025 5.425 4.131 198 HB2 HIS 28 1HB HIS 28 -1.397 3.592 3.751 199 HB3 HIS 28 2HB HIS 28 -0.746 3.285 2.148 200 HD1 HIS 28 1HD HIS 28 0.154 2.749 5.830 201 HD2 HIS 28 2HD HIS 28 1.588 2.005 1.951 202 HE1 HIS 28 1HE HIS 28 2.125 1.179 6.113 203 H MET 29 H MET 29 0.864 5.078 0.666 204 HA MET 29 HA MET 29 3.654 4.560 1.007 205 HB2 MET 29 1HB MET 29 2.219 5.885 -1.318 206 HB3 MET 29 2HB MET 29 3.834 5.196 -1.369 207 HG2 MET 29 1HG MET 29 1.839 3.224 -0.408 208 HG3 MET 29 2HG MET 29 1.407 3.948 -1.914 209 HE1 MET 29 3HE MET 29 3.981 1.992 -0.034 210 HE2 MET 29 1HE MET 29 5.140 1.430 -1.263 211 HE3 MET 29 2HE MET 29 5.101 3.147 -0.786 212 H ASN 30 H ASN 30 1.850 7.591 1.103 213 HA ASN 30 HA ASN 30 4.224 9.300 1.022 214 HB2 ASN 30 1HB ASN 30 1.275 9.726 1.584 215 HB3 ASN 30 2HB ASN 30 2.451 10.960 2.017 216 HD21 ASN 30 1HD2 ASN 30 1.211 9.091 -0.808 217 HD22 ASN 30 2HD2 ASN 30 1.746 10.312 -1.957 218 H ARG 31 H ARG 31 2.556 7.529 3.608 219 HA ARG 31 HA ARG 31 3.800 8.955 5.820 220 HB2 ARG 31 1HB ARG 31 2.811 6.072 5.752 221 HB3 ARG 31 2HB ARG 31 3.173 7.029 7.184 222 HG2 ARG 31 1HG ARG 31 1.360 8.622 6.615 223 HG3 ARG 31 2HG ARG 31 0.969 7.658 5.181 224 HD2 ARG 31 1HD ARG 31 0.525 5.691 6.647 225 HD3 ARG 31 2HD ARG 31 0.817 6.720 8.067 226 HE ARG 31 HE ARG 31 -1.148 7.957 6.396 227 HH11 ARG 31 2HH1 ARG 31 -0.919 5.227 8.583 228 HH12 ARG 31 1HH1 ARG 31 -2.625 5.247 8.932 229 HH21 ARG 31 2HH2 ARG 31 -3.313 7.935 6.899 230 HH22 ARG 31 1HH2 ARG 31 -3.938 6.746 8.002 231 H HIS 32 H HIS 32 4.857 6.285 3.778 232 HA HIS 32 HA HIS 32 7.244 5.639 5.242 233 HB2 HIS 32 1HB HIS 32 6.356 5.198 2.372 234 HB3 HIS 32 2HB HIS 32 7.941 4.710 2.938 235 HD1 HIS 32 1HD HIS 32 7.892 2.962 5.155 236 HD2 HIS 32 2HD HIS 32 4.572 3.287 2.595 237 HE1 HIS 32 1HE HIS 32 6.606 0.796 5.421 238 H SER 33 H SER 33 6.575 8.557 3.598 239 HA SER 33 HA SER 33 9.268 9.126 2.665 240 HB2 SER 33 1HB SER 33 7.075 10.145 1.843 241 HB3 SER 33 2HB SER 33 7.099 11.148 3.303 242 HG SER 33 HG SER 33 9.194 11.895 2.606 243 H THR 34 H THR 34 8.076 8.857 5.808 244 HA THR 34 HA THR 34 10.425 10.271 6.911 245 HB THR 34 HB THR 34 8.507 11.849 7.025 246 HG1 THR 34 1HG THR 34 8.927 12.382 9.144 247 HG21 THR 34 3HG2 THR 34 6.744 11.526 8.683 248 HG22 THR 34 1HG2 THR 34 7.337 9.896 9.057 249 HG23 THR 34 2HG2 THR 34 6.651 10.253 7.457 250 H GLU 35 H GLU 35 10.607 9.738 9.324 251 HA GLU 35 HA GLU 35 11.380 8.116 10.719 252 HB2 GLU 35 1HB GLU 35 8.886 8.423 11.185 253 HB3 GLU 35 2HB GLU 35 8.650 6.836 10.451 254 HG2 GLU 35 1HG GLU 35 10.210 5.858 12.159 255 HG3 GLU 35 2HG GLU 35 10.475 7.468 12.823 256 H LYS 36 H LYS 36 12.399 7.668 8.329 257 HA LYS 36 HA LYS 36 12.556 4.716 7.962 258 HB2 LYS 36 1HB LYS 36 12.410 4.931 5.585 259 HB3 LYS 36 2HB LYS 36 11.044 5.776 6.290 260 HG2 LYS 36 1HG LYS 36 11.628 7.398 4.802 261 HG3 LYS 36 2HG LYS 36 12.704 7.898 6.086 262 HD2 LYS 36 1HD LYS 36 14.347 6.108 4.779 263 HD3 LYS 36 2HD LYS 36 13.271 6.554 3.458 264 HE2 LYS 36 1HE LYS 36 14.944 8.161 3.237 265 HE3 LYS 36 2HE LYS 36 13.745 9.022 4.210 266 HZ1 LYS 36 3HZ LYS 36 16.274 7.781 5.120 267 HZ2 LYS 36 1HZ LYS 36 15.109 8.109 6.195 268 HZ3 LYS 36 2HZ LYS 36 15.802 9.330 5.321 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -20.262 -20.175 6.563 2 H2 GLY 1 2H GLY 1 -20.516 -21.496 5.629 3 H3 GLY 1 3H GLY 1 -21.478 -20.178 5.465 4 HA2 GLY 1 1HA GLY 1 -19.915 -20.290 3.638 5 HA3 GLY 1 2HA GLY 1 -19.657 -18.852 4.641 6 H SER 2 H SER 2 -17.678 -19.948 2.952 7 HA SER 2 HA SER 2 -15.799 -21.562 4.513 8 HB2 SER 2 1HB SER 2 -14.420 -21.419 2.501 9 HB3 SER 2 2HB SER 2 -16.089 -21.854 2.089 10 HG SER 2 HG SER 2 -15.321 -20.221 0.700 11 H SER 3 H SER 3 -16.368 -18.190 4.241 12 HA SER 3 HA SER 3 -15.257 -16.287 4.648 13 HB2 SER 3 1HB SER 3 -13.508 -17.918 6.508 14 HB3 SER 3 2HB SER 3 -13.669 -16.153 6.489 15 HG SER 3 HG SER 3 -15.025 -17.143 8.063 16 H GLY 4 H GLY 4 -14.190 -18.149 2.461 17 HA2 GLY 4 1HA GLY 4 -11.412 -17.356 2.056 18 HA3 GLY 4 2HA GLY 4 -12.472 -18.146 0.892 19 H SER 5 H SER 5 -10.633 -16.016 0.342 20 HA SER 5 HA SER 5 -12.427 -14.203 -1.097 21 HB2 SER 5 1HB SER 5 -11.544 -12.143 -0.259 22 HB3 SER 5 2HB SER 5 -12.096 -13.071 1.136 23 HG SER 5 HG SER 5 -9.966 -13.593 1.611 24 H SER 6 H SER 6 -11.182 -12.705 -2.543 25 HA SER 6 HA SER 6 -8.893 -14.014 -3.818 26 HB2 SER 6 1HB SER 6 -10.235 -11.372 -4.474 27 HB3 SER 6 2HB SER 6 -9.095 -12.268 -5.497 28 HG SER 6 HG SER 6 -11.273 -12.665 -6.095 29 H GLY 7 H GLY 7 -8.858 -12.336 -1.037 30 HA2 GLY 7 1HA GLY 7 -7.179 -11.249 0.127 31 HA3 GLY 7 2HA GLY 7 -6.117 -11.413 -1.268 32 H LYS 8 H LYS 8 -5.323 -9.304 -1.020 33 HA LYS 8 HA LYS 8 -7.224 -7.084 -1.589 34 HB2 LYS 8 1HB LYS 8 -4.728 -7.120 0.112 35 HB3 LYS 8 2HB LYS 8 -5.499 -5.623 -0.435 36 HG2 LYS 8 1HG LYS 8 -7.599 -6.220 0.669 37 HG3 LYS 8 2HG LYS 8 -6.935 -7.786 1.171 38 HD2 LYS 8 1HD LYS 8 -5.209 -6.647 2.515 39 HD3 LYS 8 2HD LYS 8 -5.832 -5.074 1.964 40 HE2 LYS 8 1HE LYS 8 -8.000 -5.539 3.049 41 HE3 LYS 8 2HE LYS 8 -7.391 -7.105 3.607 42 HZ1 LYS 8 3HZ LYS 8 -6.178 -4.486 4.352 43 HZ2 LYS 8 1HZ LYS 8 -5.730 -5.945 4.928 44 HZ3 LYS 8 2HZ LYS 8 -7.193 -5.339 5.312 45 HA PRO 9 HA PRO 9 -5.084 -6.423 -5.344 46 HB2 PRO 9 1HB PRO 9 -5.999 -3.958 -6.084 47 HB3 PRO 9 2HB PRO 9 -7.034 -5.419 -6.026 48 HG2 PRO 9 1HG PRO 9 -6.667 -3.342 -3.827 49 HG3 PRO 9 2HG PRO 9 -8.214 -3.910 -4.556 50 HD2 PRO 9 1HD PRO 9 -7.198 -4.943 -2.261 51 HD3 PRO 9 2HD PRO 9 -7.976 -6.015 -3.482 52 H PHE 10 H PHE 10 -4.807 -3.675 -3.002 53 HA PHE 10 HA PHE 10 -2.231 -2.849 -4.278 54 HB2 PHE 10 1HB PHE 10 -4.110 -1.177 -2.617 55 HB3 PHE 10 2HB PHE 10 -2.715 -0.644 -3.517 56 HD1 PHE 10 1HD PHE 10 -2.641 -1.106 -6.076 57 HD2 PHE 10 2HD PHE 10 -6.243 -1.089 -3.716 58 HE1 PHE 10 1HE PHE 10 -3.982 -0.871 -8.137 59 HE2 PHE 10 2HE PHE 10 -7.602 -0.892 -5.792 60 HZ PHE 10 HZ PHE 10 -6.471 -0.765 -8.010 61 H LYS 11 H LYS 11 -0.962 -4.159 -3.368 62 HA LYS 11 HA LYS 11 -0.466 -4.159 -0.436 63 HB2 LYS 11 1HB LYS 11 -0.721 -6.276 -1.824 64 HB3 LYS 11 2HB LYS 11 0.781 -5.864 -2.632 65 HG2 LYS 11 1HG LYS 11 0.418 -6.506 0.333 66 HG3 LYS 11 2HG LYS 11 1.066 -7.571 -0.915 67 HD2 LYS 11 1HD LYS 11 2.872 -5.754 -1.283 68 HD3 LYS 11 2HD LYS 11 2.317 -5.096 0.280 69 HE2 LYS 11 1HE LYS 11 2.798 -7.255 1.366 70 HE3 LYS 11 2HE LYS 11 3.340 -7.923 -0.184 71 HZ1 LYS 11 3HZ LYS 11 5.064 -6.185 -0.233 72 HZ2 LYS 11 1HZ LYS 11 5.226 -7.097 1.122 73 HZ3 LYS 11 2HZ LYS 11 4.560 -5.593 1.199 74 H CYS 12 H CYS 12 0.925 -2.826 0.330 75 HA CYS 12 HA CYS 12 2.486 -0.876 -0.916 76 HB2 CYS 12 1HB CYS 12 1.763 -0.909 1.411 77 HB3 CYS 12 2HB CYS 12 2.778 -2.318 1.738 78 H SER 13 H SER 13 4.472 -0.745 -1.815 79 HA SER 13 HA SER 13 5.926 -3.185 -2.474 80 HB2 SER 13 1HB SER 13 7.398 -1.653 -3.744 81 HB3 SER 13 2HB SER 13 5.683 -1.474 -4.144 82 HG SER 13 HG SER 13 6.729 0.553 -3.852 83 H LEU 14 H LEU 14 5.930 -1.402 0.298 84 HA LEU 14 HA LEU 14 8.867 -1.682 0.855 85 HB2 LEU 14 1HB LEU 14 6.841 0.240 2.050 86 HB3 LEU 14 2HB LEU 14 8.573 0.276 2.276 87 HG LEU 14 HG LEU 14 7.221 0.696 -0.434 88 HD11 LEU 14 1HD1 LEU 14 6.566 2.461 1.078 89 HD12 LEU 14 2HD1 LEU 14 7.647 3.066 -0.172 90 HD13 LEU 14 3HD1 LEU 14 8.275 2.785 1.478 91 HD21 LEU 14 3HD2 LEU 14 9.405 1.631 -1.097 92 HD22 LEU 14 1HD2 LEU 14 9.556 -0.059 -0.602 93 HD23 LEU 14 2HD2 LEU 14 10.067 1.234 0.507 94 H CYS 15 H CYS 15 5.632 -2.026 2.224 95 HA CYS 15 HA CYS 15 6.693 -3.840 4.344 96 HB2 CYS 15 1HB CYS 15 5.643 -2.719 6.075 97 HB3 CYS 15 2HB CYS 15 6.371 -1.452 5.120 98 H GLU 16 H GLU 16 4.526 -4.531 5.681 99 HA GLU 16 HA GLU 16 3.131 -6.284 3.755 100 HB2 GLU 16 1HB GLU 16 4.376 -7.009 5.933 101 HB3 GLU 16 2HB GLU 16 2.925 -6.459 6.771 102 HG2 GLU 16 1HG GLU 16 1.578 -8.114 5.486 103 HG3 GLU 16 2HG GLU 16 3.000 -8.546 4.537 104 H TYR 17 H TYR 17 2.469 -3.291 4.533 105 HA TYR 17 HA TYR 17 -0.354 -3.390 5.195 106 HB2 TYR 17 1HB TYR 17 1.020 -1.406 5.442 107 HB3 TYR 17 2HB TYR 17 1.362 -1.365 3.730 108 HD1 TYR 17 1HD TYR 17 -0.414 -0.705 2.091 109 HD2 TYR 17 2HD TYR 17 -1.091 -0.520 6.341 110 HE1 TYR 17 1HE TYR 17 -2.351 0.822 1.713 111 HE2 TYR 17 2HE TYR 17 -3.019 1.012 5.959 112 HH TYR 17 HH TYR 17 -4.317 2.093 4.414 113 H ALA 18 H ALA 18 -2.139 -3.557 3.961 114 HA ALA 18 HA ALA 18 -1.983 -3.137 1.115 115 HB1 ALA 18 1HB ALA 18 -2.976 -5.835 2.116 116 HB2 ALA 18 2HB ALA 18 -2.977 -5.262 0.420 117 HB3 ALA 18 3HB ALA 18 -1.442 -5.556 1.283 118 H THR 19 H THR 19 -3.957 -2.722 0.117 119 HA THR 19 HA THR 19 -6.415 -2.524 1.791 120 HB THR 19 HB THR 19 -5.179 -0.430 2.108 121 HG1 THR 19 1HG THR 19 -7.301 -0.142 2.135 122 HG21 THR 19 3HG2 THR 19 -3.882 -0.425 -0.004 123 HG22 THR 19 1HG2 THR 19 -4.694 1.077 0.358 124 HG23 THR 19 2HG2 THR 19 -5.366 -0.003 -0.888 125 H ARG 20 H ARG 20 -8.316 -1.919 0.558 126 HA ARG 20 HA ARG 20 -8.482 -3.326 -2.040 127 HB2 ARG 20 1HB ARG 20 -10.575 -2.213 -0.155 128 HB3 ARG 20 2HB ARG 20 -10.961 -2.956 -1.694 129 HG2 ARG 20 1HG ARG 20 -9.539 -4.359 0.610 130 HG3 ARG 20 2HG ARG 20 -11.252 -4.481 0.244 131 HD2 ARG 20 1HD ARG 20 -8.980 -5.497 -1.511 132 HD3 ARG 20 2HD ARG 20 -10.067 -6.463 -0.524 133 HE ARG 20 HE ARG 20 -11.561 -4.841 -2.378 134 HH11 ARG 20 2HH1 ARG 20 -9.748 -7.897 -2.302 135 HH12 ARG 20 1HH1 ARG 20 -10.529 -8.432 -3.755 136 HH21 ARG 20 2HH2 ARG 20 -12.496 -5.669 -4.188 137 HH22 ARG 20 1HH2 ARG 20 -12.046 -7.245 -4.764 138 H SER 21 H SER 21 -7.969 -0.098 -1.155 139 HA SER 21 HA SER 21 -8.892 0.823 -3.862 140 HB2 SER 21 1HB SER 21 -9.126 2.362 -1.254 141 HB3 SER 21 2HB SER 21 -9.538 2.965 -2.869 142 HG SER 21 HG SER 21 -11.386 2.181 -1.747 143 H LYS 22 H LYS 22 -7.395 1.831 -5.059 144 HA LYS 22 HA LYS 22 -4.693 1.996 -4.230 145 HB2 LYS 22 1HB LYS 22 -4.236 2.974 -6.365 146 HB3 LYS 22 2HB LYS 22 -5.450 1.720 -6.554 147 HG2 LYS 22 1HG LYS 22 -7.222 3.581 -6.530 148 HG3 LYS 22 2HG LYS 22 -5.885 4.730 -6.651 149 HD2 LYS 22 1HD LYS 22 -6.584 2.527 -8.641 150 HD3 LYS 22 2HD LYS 22 -6.869 4.261 -8.843 151 HE2 LYS 22 1HE LYS 22 -4.392 4.651 -8.725 152 HE3 LYS 22 2HE LYS 22 -4.147 2.900 -8.621 153 HZ1 LYS 22 3HZ LYS 22 -5.427 4.305 -10.905 154 HZ2 LYS 22 1HZ LYS 22 -5.205 2.688 -10.807 155 HZ3 LYS 22 2HZ LYS 22 -3.918 3.686 -10.904 156 H SER 23 H SER 23 -7.177 4.440 -3.985 157 HA SER 23 HA SER 23 -5.556 6.738 -3.447 158 HB2 SER 23 1HB SER 23 -7.678 7.553 -2.344 159 HB3 SER 23 2HB SER 23 -7.858 7.006 -4.022 160 HG SER 23 HG SER 23 -9.504 6.172 -2.625 161 H ASN 24 H ASN 24 -6.734 4.109 -1.336 162 HA ASN 24 HA ASN 24 -5.814 5.314 1.151 163 HB2 ASN 24 1HB ASN 24 -6.498 2.452 0.381 164 HB3 ASN 24 2HB ASN 24 -6.086 2.954 2.011 165 HD21 ASN 24 1HD2 ASN 24 -8.428 1.648 1.363 166 HD22 ASN 24 2HD2 ASN 24 -9.771 2.751 1.679 167 H LEU 25 H LEU 25 -4.432 2.774 -1.045 168 HA LEU 25 HA LEU 25 -2.037 2.536 0.435 169 HB2 LEU 25 1HB LEU 25 -2.632 0.863 -1.235 170 HB3 LEU 25 2HB LEU 25 -2.462 2.034 -2.542 171 HG LEU 25 HG LEU 25 -0.100 2.234 -2.079 172 HD11 LEU 25 1HD1 LEU 25 -0.461 0.142 0.089 173 HD12 LEU 25 2HD1 LEU 25 -0.048 1.852 0.373 174 HD13 LEU 25 3HD1 LEU 25 1.094 0.811 -0.457 175 HD21 LEU 25 3HD2 LEU 25 -0.746 0.457 -3.610 176 HD22 LEU 25 1HD2 LEU 25 -0.803 -0.690 -2.238 177 HD23 LEU 25 2HD2 LEU 25 0.731 0.055 -2.717 178 H LYS 26 H LYS 26 -2.746 4.655 -2.325 179 HA LYS 26 HA LYS 26 -0.266 5.984 -2.569 180 HB2 LYS 26 1HB LYS 26 -2.121 6.256 -4.102 181 HB3 LYS 26 2HB LYS 26 -3.111 7.044 -2.890 182 HG2 LYS 26 1HG LYS 26 -0.449 8.229 -3.758 183 HG3 LYS 26 2HG LYS 26 -1.875 8.411 -4.765 184 HD2 LYS 26 1HD LYS 26 -1.596 9.487 -1.928 185 HD3 LYS 26 2HD LYS 26 -1.508 10.396 -3.431 186 HE2 LYS 26 1HE LYS 26 -3.862 9.694 -3.962 187 HE3 LYS 26 2HE LYS 26 -3.954 8.903 -2.379 188 HZ1 LYS 26 3HZ LYS 26 -4.874 11.148 -2.302 189 HZ2 LYS 26 1HZ LYS 26 -3.474 11.805 -2.814 190 HZ3 LYS 26 2HZ LYS 26 -3.551 11.083 -1.350 191 H ALA 27 H ALA 27 -2.778 6.530 -0.124 192 HA ALA 27 HA ALA 27 -1.462 8.855 1.061 193 HB1 ALA 27 1HB ALA 27 -3.191 8.617 2.784 194 HB2 ALA 27 2HB ALA 27 -3.914 8.488 1.166 195 HB3 ALA 27 3HB ALA 27 -3.650 7.027 2.145 196 H HIS 28 H HIS 28 -1.552 5.341 1.750 197 HA HIS 28 HA HIS 28 0.053 5.395 4.135 198 HB2 HIS 28 1HB HIS 28 -1.377 3.565 3.695 199 HB3 HIS 28 2HB HIS 28 -0.673 3.278 2.108 200 HD1 HIS 28 1HD HIS 28 0.141 2.732 5.814 201 HD2 HIS 28 2HD HIS 28 1.641 1.997 1.956 202 HE1 HIS 28 1HE HIS 28 2.102 1.155 6.128 203 H MET 29 H MET 29 0.896 5.070 0.668 204 HA MET 29 HA MET 29 3.707 4.638 0.993 205 HB2 MET 29 1HB MET 29 2.192 5.945 -1.290 206 HB3 MET 29 2HB MET 29 3.842 5.340 -1.380 207 HG2 MET 29 1HG MET 29 1.886 3.284 -0.458 208 HG3 MET 29 2HG MET 29 1.530 3.982 -1.999 209 HE1 MET 29 3HE MET 29 5.215 1.496 -1.083 210 HE2 MET 29 1HE MET 29 5.100 3.191 -0.534 211 HE3 MET 29 2HE MET 29 3.925 1.986 0.043 212 H ASN 30 H ASN 30 1.799 7.625 1.090 213 HA ASN 30 HA ASN 30 4.115 9.397 1.034 214 HB2 ASN 30 1HB ASN 30 1.162 9.736 1.597 215 HB3 ASN 30 2HB ASN 30 2.296 10.984 2.095 216 HD21 ASN 30 1HD2 ASN 30 1.114 9.209 -0.807 217 HD22 ASN 30 2HD2 ASN 30 1.650 10.473 -1.908 218 H ARG 31 H ARG 31 2.526 7.556 3.625 219 HA ARG 31 HA ARG 31 3.840 8.945 5.825 220 HB2 ARG 31 1HB ARG 31 2.883 6.054 5.735 221 HB3 ARG 31 2HB ARG 31 3.280 6.991 7.168 222 HG2 ARG 31 1HG ARG 31 1.425 8.566 6.693 223 HG3 ARG 31 2HG ARG 31 0.979 7.613 5.269 224 HD2 ARG 31 1HD ARG 31 0.595 5.631 6.692 225 HD3 ARG 31 2HD ARG 31 1.018 6.559 8.130 226 HE ARG 31 HE ARG 31 -1.475 6.681 6.571 227 HH11 ARG 31 2HH1 ARG 31 0.381 8.361 9.029 228 HH12 ARG 31 1HH1 ARG 31 -1.011 9.237 9.602 229 HH21 ARG 31 2HH2 ARG 31 -3.200 7.830 7.358 230 HH22 ARG 31 1HH2 ARG 31 -2.978 8.940 8.677 231 H HIS 32 H HIS 32 4.830 6.337 3.672 232 HA HIS 32 HA HIS 32 7.321 5.766 5.049 233 HB2 HIS 32 1HB HIS 32 6.271 5.135 2.266 234 HB3 HIS 32 2HB HIS 32 7.874 4.678 2.802 235 HD1 HIS 32 1HD HIS 32 7.881 3.052 5.131 236 HD2 HIS 32 2HD HIS 32 4.544 3.219 2.582 237 HE1 HIS 32 1HE HIS 32 6.644 0.868 5.478 238 H SER 33 H SER 33 6.420 8.525 3.262 239 HA SER 33 HA SER 33 8.901 8.881 1.794 240 HB2 SER 33 1HB SER 33 6.481 9.560 1.154 241 HB3 SER 33 2HB SER 33 6.790 11.008 2.128 242 HG SER 33 HG SER 33 7.337 11.294 -0.091 243 H THR 34 H THR 34 8.732 9.056 4.957 244 HA THR 34 HA THR 34 9.833 11.671 5.598 245 HB THR 34 HB THR 34 10.394 10.570 7.785 246 HG1 THR 34 1HG THR 34 9.528 8.518 8.133 247 HG21 THR 34 3HG2 THR 34 8.228 11.727 7.426 248 HG22 THR 34 1HG2 THR 34 8.076 10.357 8.536 249 HG23 THR 34 2HG2 THR 34 7.510 10.203 6.860 250 H GLU 35 H GLU 35 11.965 12.066 6.440 251 HA GLU 35 HA GLU 35 14.149 10.255 5.635 252 HB2 GLU 35 1HB GLU 35 15.302 11.932 4.325 253 HB3 GLU 35 2HB GLU 35 13.730 11.584 3.618 254 HG2 GLU 35 1HG GLU 35 12.817 13.678 4.634 255 HG3 GLU 35 2HG GLU 35 14.404 14.026 5.323 256 H LYS 36 H LYS 36 16.283 11.024 6.358 257 HA LYS 36 HA LYS 36 16.188 12.562 8.925 258 HB2 LYS 36 1HB LYS 36 17.857 10.122 8.211 259 HB3 LYS 36 2HB LYS 36 17.998 11.068 9.699 260 HG2 LYS 36 1HG LYS 36 15.614 10.538 10.247 261 HG3 LYS 36 2HG LYS 36 15.530 9.491 8.824 262 HD2 LYS 36 1HD LYS 36 17.432 9.128 11.177 263 HD3 LYS 36 2HD LYS 36 15.918 8.244 10.924 264 HE2 LYS 36 1HE LYS 36 16.808 7.331 8.786 265 HE3 LYS 36 2HE LYS 36 18.334 8.180 9.061 266 HZ1 LYS 36 3HZ LYS 36 18.465 5.876 9.803 267 HZ2 LYS 36 1HZ LYS 36 17.219 6.073 10.835 268 HZ3 LYS 36 2HZ LYS 36 18.627 6.863 11.090 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -17.497 -26.829 5.536 2 H2 GLY 1 2H GLY 1 -16.592 -27.398 6.777 3 H3 GLY 1 3H GLY 1 -15.864 -26.740 5.464 4 HA2 GLY 1 1HA GLY 1 -17.573 -25.284 7.376 5 HA3 GLY 1 2HA GLY 1 -15.804 -25.199 7.319 6 H SER 2 H SER 2 -17.621 -22.976 7.063 7 HA SER 2 HA SER 2 -17.762 -22.211 4.241 8 HB2 SER 2 1HB SER 2 -18.816 -20.162 5.159 9 HB3 SER 2 2HB SER 2 -19.596 -21.662 5.685 10 HG SER 2 HG SER 2 -19.272 -20.184 7.425 11 H SER 3 H SER 3 -15.367 -21.812 6.695 12 HA SER 3 HA SER 3 -14.234 -19.312 5.950 13 HB2 SER 3 1HB SER 3 -12.858 -21.729 7.179 14 HB3 SER 3 2HB SER 3 -12.264 -20.058 7.194 15 HG SER 3 HG SER 3 -13.350 -20.606 9.143 16 H GLY 4 H GLY 4 -12.302 -18.798 4.824 17 HA2 GLY 4 1HA GLY 4 -10.812 -20.673 3.220 18 HA3 GLY 4 2HA GLY 4 -11.963 -19.775 2.229 19 H SER 5 H SER 5 -9.437 -19.482 1.543 20 HA SER 5 HA SER 5 -7.890 -17.495 2.884 21 HB2 SER 5 1HB SER 5 -7.777 -18.374 -0.025 22 HB3 SER 5 2HB SER 5 -6.511 -17.500 0.860 23 HG SER 5 HG SER 5 -6.127 -19.769 0.801 24 H SER 6 H SER 6 -7.355 -15.368 2.313 25 HA SER 6 HA SER 6 -9.008 -13.868 0.376 26 HB2 SER 6 1HB SER 6 -9.656 -12.192 2.035 27 HB3 SER 6 2HB SER 6 -10.307 -13.782 2.450 28 HG SER 6 HG SER 6 -9.401 -12.737 4.275 29 H GLY 7 H GLY 7 -8.274 -11.585 0.156 30 HA2 GLY 7 1HA GLY 7 -5.728 -10.678 1.120 31 HA3 GLY 7 2HA GLY 7 -5.562 -11.332 -0.514 32 H LYS 8 H LYS 8 -4.915 -8.785 -0.232 33 HA LYS 8 HA LYS 8 -7.234 -7.135 -1.152 34 HB2 LYS 8 1HB LYS 8 -4.927 -6.486 0.681 35 HB3 LYS 8 2HB LYS 8 -5.614 -5.223 -0.315 36 HG2 LYS 8 1HG LYS 8 -6.752 -4.984 1.687 37 HG3 LYS 8 2HG LYS 8 -7.892 -5.788 0.629 38 HD2 LYS 8 1HD LYS 8 -8.052 -6.739 2.840 39 HD3 LYS 8 2HD LYS 8 -7.405 -7.950 1.754 40 HE2 LYS 8 1HE LYS 8 -6.186 -8.117 3.790 41 HE3 LYS 8 2HE LYS 8 -5.082 -7.422 2.607 42 HZ1 LYS 8 3HZ LYS 8 -5.478 -5.228 3.616 43 HZ2 LYS 8 1HZ LYS 8 -5.029 -6.275 4.779 44 HZ3 LYS 8 2HZ LYS 8 -6.595 -5.854 4.642 45 HA PRO 9 HA PRO 9 -5.261 -6.538 -5.002 46 HB2 PRO 9 1HB PRO 9 -6.240 -4.141 -5.855 47 HB3 PRO 9 2HB PRO 9 -7.224 -5.629 -5.705 48 HG2 PRO 9 1HG PRO 9 -6.899 -3.417 -3.653 49 HG3 PRO 9 2HG PRO 9 -8.438 -4.087 -4.308 50 HD2 PRO 9 1HD PRO 9 -7.420 -4.947 -1.963 51 HD3 PRO 9 2HD PRO 9 -8.096 -6.133 -3.121 52 H PHE 10 H PHE 10 -4.888 -3.635 -2.856 53 HA PHE 10 HA PHE 10 -2.358 -2.946 -4.300 54 HB2 PHE 10 1HB PHE 10 -4.110 -1.183 -2.601 55 HB3 PHE 10 2HB PHE 10 -2.718 -0.701 -3.538 56 HD1 PHE 10 1HD PHE 10 -2.680 -1.134 -6.062 57 HD2 PHE 10 2HD PHE 10 -6.271 -1.190 -3.685 58 HE1 PHE 10 1HE PHE 10 -4.036 -0.964 -8.118 59 HE2 PHE 10 2HE PHE 10 -7.640 -1.056 -5.749 60 HZ PHE 10 HZ PHE 10 -6.521 -0.918 -7.983 61 H LYS 11 H LYS 11 -1.065 -4.257 -3.445 62 HA LYS 11 HA LYS 11 -0.419 -4.294 -0.559 63 HB2 LYS 11 1HB LYS 11 -0.627 -6.327 -2.150 64 HB3 LYS 11 2HB LYS 11 0.928 -5.845 -2.804 65 HG2 LYS 11 1HG LYS 11 0.336 -6.604 0.095 66 HG3 LYS 11 2HG LYS 11 1.028 -7.657 -1.131 67 HD2 LYS 11 1HD LYS 11 2.984 -6.059 -1.311 68 HD3 LYS 11 2HD LYS 11 2.316 -5.210 0.114 69 HE2 LYS 11 1HE LYS 11 2.384 -7.281 1.417 70 HE3 LYS 11 2HE LYS 11 3.003 -8.176 0.025 71 HZ1 LYS 11 3HZ LYS 11 4.416 -5.881 1.266 72 HZ2 LYS 11 1HZ LYS 11 5.018 -6.884 0.113 73 HZ3 LYS 11 2HZ LYS 11 4.711 -7.457 1.635 74 H CYS 12 H CYS 12 0.930 -2.924 0.219 75 HA CYS 12 HA CYS 12 2.451 -0.921 -0.997 76 HB2 CYS 12 1HB CYS 12 1.737 -1.039 1.340 77 HB3 CYS 12 2HB CYS 12 2.829 -2.400 1.629 78 H SER 13 H SER 13 4.475 -0.706 -1.808 79 HA SER 13 HA SER 13 5.970 -3.112 -2.556 80 HB2 SER 13 1HB SER 13 7.393 -1.533 -3.809 81 HB3 SER 13 2HB SER 13 5.673 -1.373 -4.197 82 HG SER 13 HG SER 13 6.692 0.664 -3.874 83 H LEU 14 H LEU 14 5.935 -1.299 0.217 84 HA LEU 14 HA LEU 14 8.875 -1.543 0.779 85 HB2 LEU 14 1HB LEU 14 6.800 0.290 2.025 86 HB3 LEU 14 2HB LEU 14 8.530 0.360 2.268 87 HG LEU 14 HG LEU 14 7.195 0.839 -0.439 88 HD11 LEU 14 1HD1 LEU 14 8.182 2.873 1.573 89 HD12 LEU 14 2HD1 LEU 14 6.491 2.545 1.107 90 HD13 LEU 14 3HD1 LEU 14 7.604 3.214 -0.083 91 HD21 LEU 14 3HD2 LEU 14 10.025 1.393 0.545 92 HD22 LEU 14 1HD2 LEU 14 9.367 1.838 -1.050 93 HD23 LEU 14 2HD2 LEU 14 9.542 0.132 -0.615 94 H CYS 15 H CYS 15 5.648 -2.001 2.124 95 HA CYS 15 HA CYS 15 6.740 -3.846 4.197 96 HB2 CYS 15 1HB CYS 15 5.601 -2.831 5.940 97 HB3 CYS 15 2HB CYS 15 6.340 -1.508 5.066 98 H GLU 16 H GLU 16 4.589 -4.653 5.473 99 HA GLU 16 HA GLU 16 3.270 -6.369 3.469 100 HB2 GLU 16 1HB GLU 16 4.445 -6.957 5.876 101 HB3 GLU 16 2HB GLU 16 2.782 -6.742 6.389 102 HG2 GLU 16 1HG GLU 16 2.929 -9.030 5.918 103 HG3 GLU 16 2HG GLU 16 2.199 -8.411 4.441 104 H TYR 17 H TYR 17 2.501 -3.424 4.393 105 HA TYR 17 HA TYR 17 -0.297 -3.589 5.065 106 HB2 TYR 17 1HB TYR 17 1.102 -1.608 5.313 107 HB3 TYR 17 2HB TYR 17 1.339 -1.494 3.589 108 HD1 TYR 17 2HD TYR 17 -0.947 -0.960 6.414 109 HD2 TYR 17 1HD TYR 17 -0.539 -0.620 2.138 110 HE1 TYR 17 2HE TYR 17 -2.853 0.641 6.351 111 HE2 TYR 17 1HE TYR 17 -2.443 1.034 2.070 112 HH TYR 17 HH TYR 17 -4.103 2.083 3.367 113 H ALA 18 H ALA 18 -2.132 -3.734 3.858 114 HA ALA 18 HA ALA 18 -2.020 -3.294 1.024 115 HB1 ALA 18 1HB ALA 18 -1.385 -5.703 1.177 116 HB2 ALA 18 2HB ALA 18 -2.943 -6.041 1.941 117 HB3 ALA 18 3HB ALA 18 -2.887 -5.422 0.259 118 H THR 19 H THR 19 -3.929 -2.726 0.093 119 HA THR 19 HA THR 19 -6.380 -2.543 1.802 120 HB THR 19 HB THR 19 -5.110 -0.491 2.143 121 HG1 THR 19 1HG THR 19 -6.705 0.807 1.755 122 HG21 THR 19 3HG2 THR 19 -3.722 -0.432 0.158 123 HG22 THR 19 1HG2 THR 19 -4.656 1.046 0.351 124 HG23 THR 19 2HG2 THR 19 -5.153 -0.150 -0.863 125 H ARG 20 H ARG 20 -8.277 -1.855 0.661 126 HA ARG 20 HA ARG 20 -8.628 -3.089 -2.003 127 HB2 ARG 20 1HB ARG 20 -10.524 -1.879 0.038 128 HB3 ARG 20 2HB ARG 20 -11.066 -2.402 -1.548 129 HG2 ARG 20 1HG ARG 20 -9.672 -4.244 0.436 130 HG3 ARG 20 2HG ARG 20 -11.414 -4.067 0.321 131 HD2 ARG 20 1HD ARG 20 -9.658 -4.996 -1.987 132 HD3 ARG 20 2HD ARG 20 -10.493 -6.076 -0.893 133 HE ARG 20 HE ARG 20 -11.649 -4.444 -3.054 134 HH11 ARG 20 2HH1 ARG 20 -12.480 -6.355 -0.229 135 HH12 ARG 20 1HH1 ARG 20 -14.125 -6.574 -0.760 136 HH21 ARG 20 2HH2 ARG 20 -13.754 -4.765 -3.657 137 HH22 ARG 20 1HH2 ARG 20 -14.818 -5.696 -2.646 138 H SER 21 H SER 21 -7.868 0.051 -0.904 139 HA SER 21 HA SER 21 -8.864 1.240 -3.478 140 HB2 SER 21 1HB SER 21 -10.100 2.225 -1.747 141 HB3 SER 21 2HB SER 21 -8.680 2.430 -0.718 142 HG SER 21 HG SER 21 -9.446 4.346 -1.922 143 H LYS 22 H LYS 22 -7.445 1.969 -4.856 144 HA LYS 22 HA LYS 22 -4.611 1.866 -4.443 145 HB2 LYS 22 1HB LYS 22 -5.992 1.685 -6.605 146 HB3 LYS 22 2HB LYS 22 -6.069 3.442 -6.609 147 HG2 LYS 22 1HG LYS 22 -3.590 3.551 -6.703 148 HG3 LYS 22 2HG LYS 22 -3.503 1.783 -6.567 149 HD2 LYS 22 1HD LYS 22 -4.916 1.652 -8.689 150 HD3 LYS 22 2HD LYS 22 -4.685 3.391 -8.882 151 HE2 LYS 22 1HE LYS 22 -2.468 1.293 -8.705 152 HE3 LYS 22 2HE LYS 22 -3.120 1.939 -10.212 153 HZ1 LYS 22 3HZ LYS 22 -1.715 3.554 -8.149 154 HZ2 LYS 22 1HZ LYS 22 -2.353 4.153 -9.533 155 HZ3 LYS 22 2HZ LYS 22 -1.101 3.111 -9.593 156 H SER 23 H SER 23 -6.927 4.544 -4.251 157 HA SER 23 HA SER 23 -5.017 6.646 -3.770 158 HB2 SER 23 1HB SER 23 -7.958 6.428 -3.031 159 HB3 SER 23 2HB SER 23 -6.981 7.909 -2.952 160 HG SER 23 HG SER 23 -8.163 7.721 -4.932 161 H ASN 24 H ASN 24 -6.612 4.291 -1.627 162 HA ASN 24 HA ASN 24 -5.716 5.559 0.831 163 HB2 ASN 24 1HB ASN 24 -7.707 4.073 0.666 164 HB3 ASN 24 2HB ASN 24 -6.629 2.710 0.292 165 HD21 ASN 24 1HD2 ASN 24 -7.199 5.209 2.851 166 HD22 ASN 24 2HD2 ASN 24 -6.692 4.124 4.136 167 H LEU 25 H LEU 25 -4.439 2.716 -1.078 168 HA LEU 25 HA LEU 25 -2.079 2.464 0.435 169 HB2 LEU 25 1HB LEU 25 -2.606 0.818 -1.274 170 HB3 LEU 25 2HB LEU 25 -2.451 2.010 -2.559 171 HG LEU 25 HG LEU 25 -0.078 2.205 -2.114 172 HD11 LEU 25 1HD1 LEU 25 1.106 0.796 -0.478 173 HD12 LEU 25 2HD1 LEU 25 -0.446 0.122 0.068 174 HD13 LEU 25 3HD1 LEU 25 -0.043 1.832 0.350 175 HD21 LEU 25 3HD2 LEU 25 0.727 0.007 -2.756 176 HD22 LEU 25 1HD2 LEU 25 -0.758 0.408 -3.633 177 HD23 LEU 25 2HD2 LEU 25 -0.807 -0.720 -2.252 178 H LYS 26 H LYS 26 -2.679 4.592 -2.311 179 HA LYS 26 HA LYS 26 -0.134 5.857 -2.498 180 HB2 LYS 26 1HB LYS 26 -1.888 6.122 -4.140 181 HB3 LYS 26 2HB LYS 26 -2.905 6.993 -3.011 182 HG2 LYS 26 1HG LYS 26 -0.160 8.056 -3.729 183 HG3 LYS 26 2HG LYS 26 -1.479 8.230 -4.866 184 HD2 LYS 26 1HD LYS 26 -1.411 9.390 -2.049 185 HD3 LYS 26 2HD LYS 26 -1.174 10.268 -3.542 186 HE2 LYS 26 1HE LYS 26 -3.761 8.859 -2.730 187 HE3 LYS 26 2HE LYS 26 -3.425 10.574 -2.526 188 HZ1 LYS 26 3HZ LYS 26 -4.679 10.198 -4.552 189 HZ2 LYS 26 1HZ LYS 26 -3.546 9.193 -5.157 190 HZ3 LYS 26 2HZ LYS 26 -3.209 10.779 -4.941 191 H ALA 27 H ALA 27 -2.738 6.533 -0.194 192 HA ALA 27 HA ALA 27 -1.406 8.835 1.000 193 HB1 ALA 27 1HB ALA 27 -3.625 7.036 2.073 194 HB2 ALA 27 2HB ALA 27 -3.163 8.626 2.707 195 HB3 ALA 27 3HB ALA 27 -3.863 8.492 1.080 196 H HIS 28 H HIS 28 -1.562 5.336 1.740 197 HA HIS 28 HA HIS 28 0.054 5.387 4.125 198 HB2 HIS 28 1HB HIS 28 -1.387 3.563 3.725 199 HB3 HIS 28 2HB HIS 28 -0.722 3.263 2.127 200 HD1 HIS 28 1HD HIS 28 0.082 2.609 5.794 201 HD2 HIS 28 2HD HIS 28 1.623 2.000 1.930 202 HE1 HIS 28 1HE HIS 28 2.010 0.985 6.069 203 H MET 29 H MET 29 0.894 5.070 0.667 204 HA MET 29 HA MET 29 3.710 4.655 1.007 205 HB2 MET 29 1HB MET 29 2.237 5.997 -1.282 206 HB3 MET 29 2HB MET 29 3.870 5.353 -1.345 207 HG2 MET 29 1HG MET 29 1.884 3.312 -0.478 208 HG3 MET 29 2HG MET 29 1.499 4.058 -1.987 209 HE1 MET 29 3HE MET 29 5.092 3.198 -0.606 210 HE2 MET 29 1HE MET 29 3.910 2.000 -0.031 211 HE3 MET 29 2HE MET 29 5.175 1.512 -1.183 212 H ASN 30 H ASN 30 1.748 7.632 0.997 213 HA ASN 30 HA ASN 30 4.065 9.407 1.178 214 HB2 ASN 30 1HB ASN 30 1.071 9.788 1.479 215 HB3 ASN 30 2HB ASN 30 2.206 11.040 1.968 216 HD21 ASN 30 1HD2 ASN 30 1.137 9.134 -0.884 217 HD22 ASN 30 2HD2 ASN 30 1.733 10.334 -2.023 218 H ARG 31 H ARG 31 2.295 7.502 3.580 219 HA ARG 31 HA ARG 31 3.417 8.923 5.884 220 HB2 ARG 31 1HB ARG 31 2.455 6.038 5.718 221 HB3 ARG 31 2HB ARG 31 2.885 6.913 7.176 222 HG2 ARG 31 1HG ARG 31 1.067 8.567 6.758 223 HG3 ARG 31 2HG ARG 31 0.607 7.676 5.307 224 HD2 ARG 31 1HD ARG 31 -0.893 7.028 7.039 225 HD3 ARG 31 2HD ARG 31 0.176 5.650 6.709 226 HE ARG 31 HE ARG 31 1.289 7.213 8.833 227 HH11 ARG 31 2HH1 ARG 31 -1.469 5.104 8.359 228 HH12 ARG 31 1HH1 ARG 31 -1.514 4.637 10.038 229 HH21 ARG 31 2HH2 ARG 31 1.176 6.573 10.958 230 HH22 ARG 31 1HH2 ARG 31 -0.057 5.458 11.464 231 H HIS 32 H HIS 32 4.499 6.122 3.925 232 HA HIS 32 HA HIS 32 6.926 5.670 5.355 233 HB2 HIS 32 1HB HIS 32 6.154 5.206 2.452 234 HB3 HIS 32 2HB HIS 32 7.748 4.821 3.071 235 HD1 HIS 32 1HD HIS 32 7.770 2.985 5.191 236 HD2 HIS 32 2HD HIS 32 4.444 3.231 2.633 237 HE1 HIS 32 1HE HIS 32 6.596 0.748 5.378 238 H SER 33 H SER 33 6.169 8.122 2.864 239 HA SER 33 HA SER 33 8.823 9.093 2.513 240 HB2 SER 33 1HB SER 33 6.192 10.562 2.138 241 HB3 SER 33 2HB SER 33 7.764 11.062 1.505 242 HG SER 33 HG SER 33 6.629 9.931 -0.084 243 H THR 34 H THR 34 7.008 9.365 5.391 244 HA THR 34 HA THR 34 7.890 12.034 6.156 245 HB THR 34 HB THR 34 7.124 11.509 8.393 246 HG1 THR 34 1HG THR 34 6.366 8.958 7.435 247 HG21 THR 34 3HG2 THR 34 4.747 11.108 7.928 248 HG22 THR 34 1HG2 THR 34 5.137 10.602 6.269 249 HG23 THR 34 2HG2 THR 34 5.451 12.268 6.788 250 H GLU 35 H GLU 35 9.536 9.001 6.115 251 HA GLU 35 HA GLU 35 11.874 10.290 7.418 252 HB2 GLU 35 1HB GLU 35 10.726 8.950 9.158 253 HB3 GLU 35 2HB GLU 35 10.883 7.504 8.152 254 HG2 GLU 35 1HG GLU 35 13.360 7.719 8.242 255 HG3 GLU 35 2HG GLU 35 13.204 9.203 9.182 256 H LYS 36 H LYS 36 13.244 10.408 5.787 257 HA LYS 36 HA LYS 36 13.875 8.057 4.068 258 HB2 LYS 36 1HB LYS 36 13.266 10.900 3.147 259 HB3 LYS 36 2HB LYS 36 14.000 9.677 2.129 260 HG2 LYS 36 1HG LYS 36 11.209 9.533 3.354 261 HG3 LYS 36 2HG LYS 36 11.584 9.966 1.696 262 HD2 LYS 36 1HD LYS 36 12.068 7.236 2.965 263 HD3 LYS 36 2HD LYS 36 10.765 7.666 1.857 264 HE2 LYS 36 1HE LYS 36 12.444 8.211 0.097 265 HE3 LYS 36 2HE LYS 36 13.745 7.740 1.200 266 HZ1 LYS 36 3HZ LYS 36 13.158 5.921 -0.288 267 HZ2 LYS 36 1HZ LYS 36 11.607 5.925 0.216 268 HZ3 LYS 36 2HZ LYS 36 12.804 5.492 1.246 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 4.998 -21.800 -9.315 2 H2 GLY 1 2H GLY 1 6.290 -21.955 -10.312 3 H3 GLY 1 3H GLY 1 5.551 -20.501 -10.139 4 HA2 GLY 1 1HA GLY 1 7.029 -21.934 -8.029 5 HA3 GLY 1 2HA GLY 1 7.622 -20.519 -8.918 6 H SER 2 H SER 2 7.846 -19.819 -6.611 7 HA SER 2 HA SER 2 7.344 -18.534 -4.839 8 HB2 SER 2 1HB SER 2 5.017 -17.494 -6.480 9 HB3 SER 2 2HB SER 2 5.716 -16.736 -5.044 10 HG SER 2 HG SER 2 6.557 -15.856 -6.995 11 H SER 3 H SER 3 5.675 -17.868 -3.148 12 HA SER 3 HA SER 3 3.551 -19.863 -2.663 13 HB2 SER 3 1HB SER 3 4.441 -20.361 -0.394 14 HB3 SER 3 2HB SER 3 5.456 -20.962 -1.705 15 HG SER 3 HG SER 3 5.909 -18.645 -0.097 16 H GLY 4 H GLY 4 2.069 -19.299 -1.019 17 HA2 GLY 4 1HA GLY 4 0.799 -17.891 0.309 18 HA3 GLY 4 2HA GLY 4 2.127 -16.740 0.371 19 H SER 5 H SER 5 -0.122 -15.550 0.299 20 HA SER 5 HA SER 5 -0.551 -14.473 -2.449 21 HB2 SER 5 1HB SER 5 -2.766 -15.363 -0.557 22 HB3 SER 5 2HB SER 5 -2.997 -14.474 -2.073 23 HG SER 5 HG SER 5 -3.298 -16.745 -2.322 24 H SER 6 H SER 6 -1.265 -12.324 -2.534 25 HA SER 6 HA SER 6 -0.666 -10.630 -0.240 26 HB2 SER 6 1HB SER 6 -1.285 -8.809 -1.847 27 HB3 SER 6 2HB SER 6 -0.014 -9.900 -2.428 28 HG SER 6 HG SER 6 -1.643 -9.480 -4.021 29 H GLY 7 H GLY 7 -3.611 -11.880 -1.692 30 HA2 GLY 7 1HA GLY 7 -5.758 -12.015 -0.844 31 HA3 GLY 7 2HA GLY 7 -5.234 -11.136 0.593 32 H LYS 8 H LYS 8 -4.455 -8.729 -0.331 33 HA LYS 8 HA LYS 8 -6.961 -7.478 -1.373 34 HB2 LYS 8 1HB LYS 8 -4.740 -6.541 0.446 35 HB3 LYS 8 2HB LYS 8 -5.756 -5.376 -0.387 36 HG2 LYS 8 1HG LYS 8 -6.612 -5.657 1.799 37 HG3 LYS 8 2HG LYS 8 -7.774 -6.371 0.676 38 HD2 LYS 8 1HD LYS 8 -7.096 -8.626 1.321 39 HD3 LYS 8 2HD LYS 8 -5.687 -7.999 2.188 40 HE2 LYS 8 1HE LYS 8 -7.287 -8.600 3.828 41 HE3 LYS 8 2HE LYS 8 -7.212 -6.837 3.786 42 HZ1 LYS 8 3HZ LYS 8 -9.316 -8.493 2.479 43 HZ2 LYS 8 1HZ LYS 8 -9.275 -6.855 2.477 44 HZ3 LYS 8 2HZ LYS 8 -9.506 -7.666 3.870 45 HA PRO 9 HA PRO 9 -5.142 -6.465 -5.183 46 HB2 PRO 9 1HB PRO 9 -6.301 -4.094 -5.909 47 HB3 PRO 9 2HB PRO 9 -7.176 -5.654 -5.818 48 HG2 PRO 9 1HG PRO 9 -6.957 -3.534 -3.656 49 HG3 PRO 9 2HG PRO 9 -8.463 -4.260 -4.328 50 HD2 PRO 9 1HD PRO 9 -7.383 -5.188 -2.050 51 HD3 PRO 9 2HD PRO 9 -7.954 -6.361 -3.278 52 H PHE 10 H PHE 10 -4.875 -3.698 -2.869 53 HA PHE 10 HA PHE 10 -2.359 -2.832 -4.257 54 HB2 PHE 10 1HB PHE 10 -4.184 -1.170 -2.530 55 HB3 PHE 10 2HB PHE 10 -2.811 -0.632 -3.461 56 HD1 PHE 10 1HD PHE 10 -2.798 -0.891 -5.994 57 HD2 PHE 10 2HD PHE 10 -6.352 -1.296 -3.598 58 HE1 PHE 10 1HE PHE 10 -4.184 -0.687 -8.026 59 HE2 PHE 10 2HE PHE 10 -7.755 -1.104 -5.643 60 HZ PHE 10 HZ PHE 10 -6.675 -0.791 -7.866 61 H LYS 11 H LYS 11 -1.065 -4.156 -3.387 62 HA LYS 11 HA LYS 11 -0.513 -4.188 -0.467 63 HB2 LYS 11 1HB LYS 11 -0.783 -6.285 -1.877 64 HB3 LYS 11 2HB LYS 11 0.708 -5.860 -2.701 65 HG2 LYS 11 1HG LYS 11 0.387 -6.539 0.261 66 HG3 LYS 11 2HG LYS 11 1.024 -7.586 -1.006 67 HD2 LYS 11 1HD LYS 11 2.815 -5.756 -1.377 68 HD3 LYS 11 2HD LYS 11 2.279 -5.120 0.202 69 HE2 LYS 11 1HE LYS 11 2.785 -7.289 1.255 70 HE3 LYS 11 2HE LYS 11 3.311 -7.935 -0.310 71 HZ1 LYS 11 3HZ LYS 11 5.210 -7.113 0.980 72 HZ2 LYS 11 1HZ LYS 11 4.535 -5.614 1.085 73 HZ3 LYS 11 2HZ LYS 11 5.024 -6.185 -0.361 74 H CYS 12 H CYS 12 0.875 -2.857 0.297 75 HA CYS 12 HA CYS 12 2.419 -0.884 -0.922 76 HB2 CYS 12 1HB CYS 12 1.719 -0.998 1.419 77 HB3 CYS 12 2HB CYS 12 2.787 -2.381 1.697 78 H SER 13 H SER 13 4.389 -0.732 -1.855 79 HA SER 13 HA SER 13 5.856 -3.153 -2.557 80 HB2 SER 13 1HB SER 13 7.301 -1.606 -3.831 81 HB3 SER 13 2HB SER 13 5.581 -1.425 -4.208 82 HG SER 13 HG SER 13 6.631 0.599 -3.910 83 H LEU 14 H LEU 14 5.874 -1.386 0.229 84 HA LEU 14 HA LEU 14 8.816 -1.653 0.756 85 HB2 LEU 14 1HB LEU 14 6.789 0.237 1.995 86 HB3 LEU 14 2HB LEU 14 8.522 0.283 2.206 87 HG LEU 14 HG LEU 14 7.138 0.737 -0.482 88 HD11 LEU 14 1HD1 LEU 14 7.580 3.106 -0.182 89 HD12 LEU 14 2HD1 LEU 14 8.208 2.789 1.459 90 HD13 LEU 14 3HD1 LEU 14 6.498 2.477 1.056 91 HD21 LEU 14 3HD2 LEU 14 9.996 1.265 0.430 92 HD22 LEU 14 1HD2 LEU 14 9.311 1.686 -1.159 93 HD23 LEU 14 2HD2 LEU 14 9.472 -0.012 -0.694 94 H CYS 15 H CYS 15 5.597 -2.034 2.157 95 HA CYS 15 HA CYS 15 6.697 -3.867 4.240 96 HB2 CYS 15 1HB CYS 15 5.649 -2.783 5.993 97 HB3 CYS 15 2HB CYS 15 6.354 -1.495 5.049 98 H GLU 16 H GLU 16 4.545 -4.599 5.583 99 HA GLU 16 HA GLU 16 3.174 -6.362 3.649 100 HB2 GLU 16 1HB GLU 16 4.420 -7.075 5.824 101 HB3 GLU 16 2HB GLU 16 2.971 -6.531 6.668 102 HG2 GLU 16 1HG GLU 16 1.625 -8.199 5.407 103 HG3 GLU 16 2HG GLU 16 3.038 -8.623 4.440 104 H TYR 17 H TYR 17 2.469 -3.369 4.501 105 HA TYR 17 HA TYR 17 -0.344 -3.507 5.169 106 HB2 TYR 17 1HB TYR 17 1.053 -1.527 5.428 107 HB3 TYR 17 2HB TYR 17 1.331 -1.441 3.708 108 HD1 TYR 17 1HD TYR 17 -0.484 -0.692 2.167 109 HD2 TYR 17 2HD TYR 17 -1.037 -0.738 6.437 110 HE1 TYR 17 1HE TYR 17 -2.395 0.918 1.924 111 HE2 TYR 17 2HE TYR 17 -2.950 0.850 6.197 112 HH TYR 17 HH TYR 17 -3.981 2.147 3.038 113 H ALA 18 H ALA 18 -2.147 -3.675 3.942 114 HA ALA 18 HA ALA 18 -2.002 -3.186 1.107 115 HB1 ALA 18 1HB ALA 18 -2.882 -5.286 0.324 116 HB2 ALA 18 2HB ALA 18 -1.433 -5.633 1.301 117 HB3 ALA 18 3HB ALA 18 -3.038 -5.901 2.001 118 H THR 19 H THR 19 -3.981 -2.771 0.107 119 HA THR 19 HA THR 19 -6.428 -2.597 1.796 120 HB THR 19 HB THR 19 -5.165 -0.498 2.152 121 HG1 THR 19 1HG THR 19 -7.422 -0.416 2.089 122 HG21 THR 19 3HG2 THR 19 -3.877 -0.374 0.109 123 HG22 THR 19 1HG2 THR 19 -4.823 1.082 0.398 124 HG23 THR 19 2HG2 THR 19 -5.359 -0.078 -0.834 125 H ARG 20 H ARG 20 -8.322 -1.881 0.588 126 HA ARG 20 HA ARG 20 -8.552 -3.198 -2.042 127 HB2 ARG 20 1HB ARG 20 -10.520 -2.146 0.002 128 HB3 ARG 20 2HB ARG 20 -11.051 -2.612 -1.605 129 HG2 ARG 20 1HG ARG 20 -9.464 -4.503 0.176 130 HG3 ARG 20 2HG ARG 20 -11.219 -4.390 0.252 131 HD2 ARG 20 1HD ARG 20 -9.695 -5.068 -2.297 132 HD3 ARG 20 2HD ARG 20 -10.352 -6.265 -1.175 133 HE ARG 20 HE ARG 20 -12.445 -4.476 -1.882 134 HH11 ARG 20 2HH1 ARG 20 -10.595 -7.034 -3.413 135 HH12 ARG 20 1HH1 ARG 20 -11.848 -7.356 -4.578 136 HH21 ARG 20 2HH2 ARG 20 -13.997 -4.952 -3.392 137 HH22 ARG 20 1HH2 ARG 20 -13.723 -6.218 -4.552 138 H SER 21 H SER 21 -7.855 -0.028 -1.111 139 HA SER 21 HA SER 21 -8.791 0.952 -3.786 140 HB2 SER 21 1HB SER 21 -10.260 1.806 -1.992 141 HB3 SER 21 2HB SER 21 -8.848 2.563 -1.221 142 HG SER 21 HG SER 21 -9.908 4.036 -2.621 143 H LYS 22 H LYS 22 -7.368 1.909 -5.021 144 HA LYS 22 HA LYS 22 -4.584 1.959 -4.468 145 HB2 LYS 22 1HB LYS 22 -5.732 1.841 -6.713 146 HB3 LYS 22 2HB LYS 22 -6.103 3.557 -6.579 147 HG2 LYS 22 1HG LYS 22 -3.614 4.006 -6.386 148 HG3 LYS 22 2HG LYS 22 -3.326 2.283 -6.662 149 HD2 LYS 22 1HD LYS 22 -4.739 4.187 -8.588 150 HD3 LYS 22 2HD LYS 22 -3.042 3.701 -8.692 151 HE2 LYS 22 1HE LYS 22 -3.719 1.333 -8.968 152 HE3 LYS 22 2HE LYS 22 -5.424 1.802 -8.879 153 HZ1 LYS 22 3HZ LYS 22 -5.089 3.143 -10.890 154 HZ2 LYS 22 1HZ LYS 22 -4.686 1.590 -11.183 155 HZ3 LYS 22 2HZ LYS 22 -3.516 2.706 -10.974 156 H SER 23 H SER 23 -7.001 4.572 -4.200 157 HA SER 23 HA SER 23 -5.091 6.674 -3.670 158 HB2 SER 23 1HB SER 23 -7.053 7.981 -2.987 159 HB3 SER 23 2HB SER 23 -7.304 7.166 -4.541 160 HG SER 23 HG SER 23 -9.116 6.941 -3.147 161 H ASN 24 H ASN 24 -6.570 4.228 -1.611 162 HA ASN 24 HA ASN 24 -5.781 5.569 0.871 163 HB2 ASN 24 1HB ASN 24 -7.777 4.033 0.644 164 HB3 ASN 24 2HB ASN 24 -6.648 2.687 0.446 165 HD21 ASN 24 1HD2 ASN 24 -6.877 1.573 2.333 166 HD22 ASN 24 2HD2 ASN 24 -6.657 2.289 3.932 167 H LEU 25 H LEU 25 -4.496 2.743 -1.045 168 HA LEU 25 HA LEU 25 -2.144 2.487 0.486 169 HB2 LEU 25 1HB LEU 25 -2.676 0.827 -1.208 170 HB3 LEU 25 2HB LEU 25 -2.512 2.011 -2.502 171 HG LEU 25 HG LEU 25 -0.147 2.209 -2.039 172 HD11 LEU 25 1HD1 LEU 25 -0.116 1.843 0.418 173 HD12 LEU 25 2HD1 LEU 25 1.034 0.798 -0.398 174 HD13 LEU 25 3HD1 LEU 25 -0.523 0.131 0.144 175 HD21 LEU 25 3HD2 LEU 25 -0.862 -0.714 -2.188 176 HD22 LEU 25 1HD2 LEU 25 0.672 0.023 -2.682 177 HD23 LEU 25 2HD2 LEU 25 -0.812 0.420 -3.566 178 H LYS 26 H LYS 26 -2.686 4.604 -2.299 179 HA LYS 26 HA LYS 26 -0.202 5.927 -2.507 180 HB2 LYS 26 1HB LYS 26 -2.201 6.291 -3.966 181 HB3 LYS 26 2HB LYS 26 -2.988 7.137 -2.641 182 HG2 LYS 26 1HG LYS 26 -0.849 8.743 -2.782 183 HG3 LYS 26 2HG LYS 26 -0.687 8.011 -4.379 184 HD2 LYS 26 1HD LYS 26 -1.978 9.958 -4.719 185 HD3 LYS 26 2HD LYS 26 -3.169 8.637 -4.729 186 HE2 LYS 26 1HE LYS 26 -3.765 9.133 -2.381 187 HE3 LYS 26 2HE LYS 26 -2.508 10.375 -2.306 188 HZ1 LYS 26 3HZ LYS 26 -4.874 10.484 -4.104 189 HZ2 LYS 26 1HZ LYS 26 -3.715 11.629 -4.001 190 HZ3 LYS 26 2HZ LYS 26 -4.695 11.348 -2.730 191 H ALA 27 H ALA 27 -2.791 6.586 -0.194 192 HA ALA 27 HA ALA 27 -1.494 8.830 1.111 193 HB1 ALA 27 1HB ALA 27 -3.945 8.474 1.123 194 HB2 ALA 27 2HB ALA 27 -3.728 7.015 2.117 195 HB3 ALA 27 3HB ALA 27 -3.283 8.603 2.765 196 H HIS 28 H HIS 28 -1.597 5.317 1.807 197 HA HIS 28 HA HIS 28 0.010 5.390 4.196 198 HB2 HIS 28 1HB HIS 28 -1.398 3.549 3.804 199 HB3 HIS 28 2HB HIS 28 -0.738 3.258 2.201 200 HD1 HIS 28 1HD HIS 28 0.125 2.659 5.875 201 HD2 HIS 28 2HD HIS 28 1.595 1.983 1.995 202 HE1 HIS 28 1HE HIS 28 2.068 1.051 6.142 203 H MET 29 H MET 29 0.856 5.062 0.727 204 HA MET 29 HA MET 29 3.667 4.631 1.074 205 HB2 MET 29 1HB MET 29 2.226 5.969 -1.240 206 HB3 MET 29 2HB MET 29 3.844 5.291 -1.285 207 HG2 MET 29 1HG MET 29 1.835 3.286 -0.414 208 HG3 MET 29 2HG MET 29 1.438 4.045 -1.916 209 HE1 MET 29 3HE MET 29 5.039 3.143 -0.596 210 HE2 MET 29 1HE MET 29 3.860 1.946 -0.010 211 HE3 MET 29 2HE MET 29 5.106 1.460 -1.186 212 H ASN 30 H ASN 30 1.738 7.622 0.999 213 HA ASN 30 HA ASN 30 4.002 9.424 1.053 214 HB2 ASN 30 1HB ASN 30 1.037 9.688 1.581 215 HB3 ASN 30 2HB ASN 30 2.130 10.970 2.082 216 HD21 ASN 30 1HD2 ASN 30 1.088 9.113 -0.818 217 HD22 ASN 30 2HD2 ASN 30 1.572 10.392 -1.928 218 H ARG 31 H ARG 31 2.513 7.494 3.611 219 HA ARG 31 HA ARG 31 3.781 8.949 5.817 220 HB2 ARG 31 1HB ARG 31 2.835 6.056 5.784 221 HB3 ARG 31 2HB ARG 31 3.221 7.033 7.193 222 HG2 ARG 31 1HG ARG 31 1.349 8.576 6.680 223 HG3 ARG 31 2HG ARG 31 0.933 7.594 5.265 224 HD2 ARG 31 1HD ARG 31 0.588 5.624 6.749 225 HD3 ARG 31 2HD ARG 31 0.905 6.664 8.156 226 HE ARG 31 HE ARG 31 -1.144 7.855 6.562 227 HH11 ARG 31 2HH2 ARG 31 -0.780 5.114 8.715 228 HH12 ARG 31 1HH2 ARG 31 -2.475 5.090 9.118 229 HH21 ARG 31 2HH1 ARG 31 -3.292 7.775 7.130 230 HH22 ARG 31 1HH1 ARG 31 -3.852 6.562 8.242 231 H HIS 32 H HIS 32 4.706 6.153 3.802 232 HA HIS 32 HA HIS 32 7.262 5.720 5.094 233 HB2 HIS 32 1HB HIS 32 6.243 5.077 2.297 234 HB3 HIS 32 2HB HIS 32 7.845 4.654 2.869 235 HD1 HIS 32 1HD HIS 32 7.850 2.967 5.139 236 HD2 HIS 32 2HD HIS 32 4.501 3.175 2.609 237 HE1 HIS 32 1HE HIS 32 6.611 0.780 5.462 238 H SER 33 H SER 33 6.161 7.945 2.577 239 HA SER 33 HA SER 33 8.804 8.810 1.781 240 HB2 SER 33 1HB SER 33 6.662 8.688 0.381 241 HB3 SER 33 2HB SER 33 6.197 10.213 1.151 242 HG SER 33 HG SER 33 8.187 11.093 0.355 243 H THR 34 H THR 34 7.630 9.402 4.701 244 HA THR 34 HA THR 34 8.963 12.030 4.913 245 HB THR 34 HB THR 34 6.523 12.466 4.624 246 HG1 THR 34 1HG THR 34 6.507 13.955 6.277 247 HG21 THR 34 3HG2 THR 34 5.605 10.548 5.914 248 HG22 THR 34 1HG2 THR 34 4.992 12.106 6.478 249 HG23 THR 34 2HG2 THR 34 6.243 11.258 7.412 250 H GLU 35 H GLU 35 9.286 12.646 7.249 251 HA GLU 35 HA GLU 35 9.819 10.317 9.026 252 HB2 GLU 35 1HB GLU 35 11.929 12.322 8.127 253 HB3 GLU 35 2HB GLU 35 12.116 11.172 9.454 254 HG2 GLU 35 1HG GLU 35 11.772 9.285 7.856 255 HG3 GLU 35 2HG GLU 35 11.696 10.445 6.524 256 H LYS 36 H LYS 36 10.124 10.828 11.211 257 HA LYS 36 HA LYS 36 9.791 13.575 12.191 258 HB2 LYS 36 1HB LYS 36 7.873 13.056 13.603 259 HB3 LYS 36 2HB LYS 36 7.479 12.906 11.893 260 HG2 LYS 36 1HG LYS 36 7.630 10.425 12.063 261 HG3 LYS 36 2HG LYS 36 8.103 10.569 13.760 262 HD2 LYS 36 1HD LYS 36 5.777 9.977 13.649 263 HD3 LYS 36 2HD LYS 36 5.919 11.621 14.287 264 HE2 LYS 36 1HE LYS 36 5.359 12.539 12.043 265 HE3 LYS 36 2HE LYS 36 5.259 10.898 11.393 266 HZ1 LYS 36 3HZ LYS 36 3.504 11.997 13.526 267 HZ2 LYS 36 1HZ LYS 36 3.405 10.481 12.923 268 HZ3 LYS 36 2HZ LYS 36 3.064 11.763 11.974 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 0.529 -22.628 9.008 2 H2 GLY 1 2H GLY 1 2.113 -22.311 8.733 3 H3 GLY 1 3H GLY 1 1.028 -22.185 7.512 4 HA2 GLY 1 1HA GLY 1 1.099 -20.475 9.910 5 HA3 GLY 1 2HA GLY 1 1.661 -19.997 8.299 6 H SER 2 H SER 2 -0.529 -18.931 10.073 7 HA SER 2 HA SER 2 -3.072 -19.551 8.853 8 HB2 SER 2 1HB SER 2 -2.255 -17.172 10.560 9 HB3 SER 2 2HB SER 2 -3.914 -17.683 10.193 10 HG SER 2 HG SER 2 -3.188 -18.470 12.232 11 H SER 3 H SER 3 -4.424 -18.216 7.614 12 HA SER 3 HA SER 3 -3.205 -15.975 6.061 13 HB2 SER 3 1HB SER 3 -4.775 -18.307 4.896 14 HB3 SER 3 2HB SER 3 -4.296 -16.847 4.016 15 HG SER 3 HG SER 3 -2.835 -18.599 3.695 16 H GLY 4 H GLY 4 -4.656 -14.419 5.290 17 HA2 GLY 4 1HA GLY 4 -7.084 -13.995 6.825 18 HA3 GLY 4 2HA GLY 4 -6.471 -12.987 5.520 19 H SER 5 H SER 5 -9.218 -13.695 5.996 20 HA SER 5 HA SER 5 -10.121 -15.815 4.316 21 HB2 SER 5 1HB SER 5 -11.655 -13.374 5.278 22 HB3 SER 5 2HB SER 5 -12.346 -14.904 4.706 23 HG SER 5 HG SER 5 -12.239 -14.813 6.999 24 H SER 6 H SER 6 -9.332 -12.504 3.508 25 HA SER 6 HA SER 6 -10.168 -12.925 0.676 26 HB2 SER 6 1HB SER 6 -10.795 -10.440 2.319 27 HB3 SER 6 2HB SER 6 -11.056 -10.628 0.576 28 HG SER 6 HG SER 6 -12.965 -11.028 1.796 29 H GLY 7 H GLY 7 -8.799 -12.119 -0.809 30 HA2 GLY 7 1HA GLY 7 -6.179 -11.096 -0.034 31 HA3 GLY 7 2HA GLY 7 -6.759 -11.407 -1.668 32 H LYS 8 H LYS 8 -5.206 -9.218 -1.156 33 HA LYS 8 HA LYS 8 -7.086 -6.926 -1.448 34 HB2 LYS 8 1HB LYS 8 -4.467 -6.960 0.081 35 HB3 LYS 8 2HB LYS 8 -5.278 -5.488 -0.452 36 HG2 LYS 8 1HG LYS 8 -6.050 -5.613 1.690 37 HG3 LYS 8 2HG LYS 8 -7.365 -6.397 0.820 38 HD2 LYS 8 1HD LYS 8 -6.313 -8.636 1.449 39 HD3 LYS 8 2HD LYS 8 -5.125 -7.745 2.408 40 HE2 LYS 8 1HE LYS 8 -6.890 -6.852 3.839 41 HE3 LYS 8 2HE LYS 8 -8.143 -7.508 2.775 42 HZ1 LYS 8 3HZ LYS 8 -7.799 -8.947 4.693 43 HZ2 LYS 8 1HZ LYS 8 -6.221 -9.158 4.325 44 HZ3 LYS 8 2HZ LYS 8 -7.382 -9.743 3.322 45 HA PRO 9 HA PRO 9 -5.055 -6.423 -5.333 46 HB2 PRO 9 1HB PRO 9 -6.018 -3.990 -6.127 47 HB3 PRO 9 2HB PRO 9 -7.024 -5.470 -6.033 48 HG2 PRO 9 1HG PRO 9 -6.687 -3.341 -3.884 49 HG3 PRO 9 2HG PRO 9 -8.229 -3.954 -4.589 50 HD2 PRO 9 1HD PRO 9 -7.181 -4.896 -2.285 51 HD3 PRO 9 2HD PRO 9 -7.943 -6.028 -3.460 52 H PHE 10 H PHE 10 -4.786 -3.681 -3.008 53 HA PHE 10 HA PHE 10 -2.230 -2.806 -4.299 54 HB2 PHE 10 1HB PHE 10 -4.121 -1.182 -2.603 55 HB3 PHE 10 2HB PHE 10 -2.740 -0.613 -3.506 56 HD1 PHE 10 1HD PHE 10 -2.684 -1.077 -6.077 57 HD2 PHE 10 2HD PHE 10 -6.258 -1.084 -3.676 58 HE1 PHE 10 1HE PHE 10 -4.050 -0.853 -8.122 59 HE2 PHE 10 2HE PHE 10 -7.642 -0.901 -5.734 60 HZ PHE 10 HZ PHE 10 -6.541 -0.760 -7.964 61 H LYS 11 H LYS 11 -0.926 -4.099 -3.421 62 HA LYS 11 HA LYS 11 -0.428 -4.148 -0.490 63 HB2 LYS 11 1HB LYS 11 -0.636 -6.223 -2.025 64 HB3 LYS 11 2HB LYS 11 0.949 -5.798 -2.646 65 HG2 LYS 11 1HG LYS 11 0.261 -6.443 0.260 66 HG3 LYS 11 2HG LYS 11 0.935 -7.565 -0.914 67 HD2 LYS 11 1HD LYS 11 2.964 -6.067 -1.097 68 HD3 LYS 11 2HD LYS 11 2.301 -5.128 0.273 69 HE2 LYS 11 1HE LYS 11 2.229 -7.153 1.657 70 HE3 LYS 11 2HE LYS 11 2.857 -8.124 0.322 71 HZ1 LYS 11 3HZ LYS 11 4.321 -5.849 1.544 72 HZ2 LYS 11 1HZ LYS 11 4.920 -6.902 0.434 73 HZ3 LYS 11 2HZ LYS 11 4.550 -7.424 1.958 74 H CYS 12 H CYS 12 0.962 -2.821 0.297 75 HA CYS 12 HA CYS 12 2.535 -0.868 -0.933 76 HB2 CYS 12 1HB CYS 12 1.857 -0.834 1.372 77 HB3 CYS 12 2HB CYS 12 2.759 -2.312 1.716 78 H SER 13 H SER 13 4.593 -0.646 -1.604 79 HA SER 13 HA SER 13 6.006 -3.005 -2.563 80 HB2 SER 13 1HB SER 13 6.815 -0.072 -2.629 81 HB3 SER 13 2HB SER 13 7.546 -1.388 -3.569 82 HG SER 13 HG SER 13 5.999 -0.232 -4.800 83 H LEU 14 H LEU 14 6.062 -1.442 0.424 84 HA LEU 14 HA LEU 14 8.965 -2.034 0.951 85 HB2 LEU 14 1HB LEU 14 7.181 0.083 2.199 86 HB3 LEU 14 2HB LEU 14 8.909 -0.101 2.431 87 HG LEU 14 HG LEU 14 7.597 0.607 -0.236 88 HD11 LEU 14 1HD1 LEU 14 8.999 2.363 1.799 89 HD12 LEU 14 2HD1 LEU 14 7.279 2.376 1.338 90 HD13 LEU 14 3HD1 LEU 14 8.504 2.865 0.160 91 HD21 LEU 14 3HD2 LEU 14 9.882 1.219 -0.938 92 HD22 LEU 14 1HD2 LEU 14 9.778 -0.498 -0.536 93 HD23 LEU 14 2HD2 LEU 14 10.523 0.634 0.618 94 H CYS 15 H CYS 15 5.718 -2.000 2.361 95 HA CYS 15 HA CYS 15 6.644 -3.876 4.496 96 HB2 CYS 15 1HB CYS 15 5.541 -2.731 6.172 97 HB3 CYS 15 2HB CYS 15 6.357 -1.495 5.253 98 H GLU 16 H GLU 16 4.482 -4.585 5.728 99 HA GLU 16 HA GLU 16 3.107 -6.228 3.699 100 HB2 GLU 16 1HB GLU 16 4.340 -7.061 5.887 101 HB3 GLU 16 2HB GLU 16 2.825 -6.641 6.669 102 HG2 GLU 16 1HG GLU 16 2.894 -9.005 6.121 103 HG3 GLU 16 2HG GLU 16 1.623 -8.230 5.189 104 H TYR 17 H TYR 17 2.442 -3.301 4.523 105 HA TYR 17 HA TYR 17 -0.381 -3.379 5.171 106 HB2 TYR 17 1HB TYR 17 1.006 -1.395 5.433 107 HB3 TYR 17 2HB TYR 17 1.381 -1.367 3.728 108 HD1 TYR 17 1HD TYR 17 -0.376 -0.691 2.068 109 HD2 TYR 17 2HD TYR 17 -1.118 -0.533 6.309 110 HE1 TYR 17 1HE TYR 17 -2.349 0.793 1.667 111 HE2 TYR 17 2HE TYR 17 -3.069 0.965 5.905 112 HH TYR 17 HH TYR 17 -4.368 2.023 4.346 113 H ALA 18 H ALA 18 -2.158 -3.555 3.936 114 HA ALA 18 HA ALA 18 -1.994 -3.113 1.096 115 HB1 ALA 18 1HB ALA 18 -2.907 -5.200 0.334 116 HB2 ALA 18 2HB ALA 18 -1.474 -5.567 1.329 117 HB3 ALA 18 3HB ALA 18 -3.091 -5.795 2.012 118 H THR 19 H THR 19 -3.984 -2.737 0.074 119 HA THR 19 HA THR 19 -6.443 -2.566 1.743 120 HB THR 19 HB THR 19 -5.213 -0.467 2.100 121 HG1 THR 19 1HG THR 19 -7.337 -0.192 2.140 122 HG21 THR 19 3HG2 THR 19 -5.411 0.024 -0.883 123 HG22 THR 19 1HG2 THR 19 -3.924 -0.423 -0.017 124 HG23 THR 19 2HG2 THR 19 -4.731 1.069 0.389 125 H ARG 20 H ARG 20 -8.338 -1.931 0.520 126 HA ARG 20 HA ARG 20 -8.505 -3.327 -2.082 127 HB2 ARG 20 1HB ARG 20 -10.618 -2.228 -0.211 128 HB3 ARG 20 2HB ARG 20 -10.973 -3.041 -1.723 129 HG2 ARG 20 1HG ARG 20 -9.531 -4.303 0.652 130 HG3 ARG 20 2HG ARG 20 -11.230 -4.507 0.259 131 HD2 ARG 20 1HD ARG 20 -8.894 -5.483 -1.437 132 HD3 ARG 20 2HD ARG 20 -9.922 -6.461 -0.403 133 HE ARG 20 HE ARG 20 -11.459 -4.983 -2.372 134 HH11 ARG 20 1HH1 ARG 20 -9.648 -8.004 -1.982 135 HH12 ARG 20 2HH1 ARG 20 -10.433 -8.703 -3.366 136 HH21 ARG 20 2HH2 ARG 20 -12.401 -5.996 -4.087 137 HH22 ARG 20 1HH2 ARG 20 -11.948 -7.622 -4.500 138 H SER 21 H SER 21 -8.019 -0.101 -1.200 139 HA SER 21 HA SER 21 -8.955 0.813 -3.903 140 HB2 SER 21 1HB SER 21 -9.203 2.347 -1.294 141 HB3 SER 21 2HB SER 21 -9.606 2.955 -2.907 142 HG SER 21 HG SER 21 -11.457 2.165 -1.797 143 H LYS 22 H LYS 22 -7.465 1.855 -5.094 144 HA LYS 22 HA LYS 22 -4.763 1.991 -4.262 145 HB2 LYS 22 1HB LYS 22 -4.302 3.029 -6.387 146 HB3 LYS 22 2HB LYS 22 -5.468 1.737 -6.578 147 HG2 LYS 22 1HG LYS 22 -7.316 3.405 -6.736 148 HG3 LYS 22 2HG LYS 22 -6.146 4.709 -6.510 149 HD2 LYS 22 1HD LYS 22 -6.675 4.531 -8.848 150 HD3 LYS 22 2HD LYS 22 -4.989 4.055 -8.599 151 HE2 LYS 22 1HE LYS 22 -5.641 1.662 -8.717 152 HE3 LYS 22 2HE LYS 22 -7.339 2.125 -8.901 153 HZ1 LYS 22 3HZ LYS 22 -6.741 3.218 -10.998 154 HZ2 LYS 22 1HZ LYS 22 -6.310 1.647 -11.049 155 HZ3 LYS 22 2HZ LYS 22 -5.173 2.793 -10.826 156 H SER 23 H SER 23 -7.227 4.452 -3.990 157 HA SER 23 HA SER 23 -5.585 6.728 -3.417 158 HB2 SER 23 1HB SER 23 -7.707 7.557 -2.328 159 HB3 SER 23 2HB SER 23 -7.878 7.026 -4.012 160 HG SER 23 HG SER 23 -9.548 6.201 -2.640 161 H ASN 24 H ASN 24 -6.794 4.080 -1.345 162 HA ASN 24 HA ASN 24 -5.898 5.261 1.162 163 HB2 ASN 24 1HB ASN 24 -6.566 2.406 0.352 164 HB3 ASN 24 2HB ASN 24 -6.161 2.887 1.990 165 HD21 ASN 24 1HD2 ASN 24 -8.485 1.578 1.350 166 HD22 ASN 24 2HD2 ASN 24 -9.840 2.670 1.658 167 H LEU 25 H LEU 25 -4.489 2.753 -1.051 168 HA LEU 25 HA LEU 25 -2.099 2.508 0.428 169 HB2 LEU 25 1HB LEU 25 -2.712 0.865 -1.305 170 HB3 LEU 25 2HB LEU 25 -2.490 2.075 -2.565 171 HG LEU 25 HG LEU 25 -0.141 2.252 -2.056 172 HD11 LEU 25 1HD1 LEU 25 -0.551 0.141 0.078 173 HD12 LEU 25 2HD1 LEU 25 -0.089 1.839 0.371 174 HD13 LEU 25 3HD1 LEU 25 1.023 0.764 -0.458 175 HD21 LEU 25 3HD2 LEU 25 -0.769 0.485 -3.628 176 HD22 LEU 25 1HD2 LEU 25 -0.807 -0.675 -2.266 177 HD23 LEU 25 2HD2 LEU 25 0.713 0.100 -2.730 178 H LYS 26 H LYS 26 -2.772 4.673 -2.334 179 HA LYS 26 HA LYS 26 -0.312 6.003 -2.533 180 HB2 LYS 26 1HB LYS 26 -2.090 6.218 -4.130 181 HB3 LYS 26 2HB LYS 26 -3.205 6.877 -2.938 182 HG2 LYS 26 1HG LYS 26 -0.660 8.389 -3.436 183 HG3 LYS 26 2HG LYS 26 -1.867 8.392 -4.721 184 HD2 LYS 26 1HD LYS 26 -3.513 9.459 -3.436 185 HD3 LYS 26 2HD LYS 26 -2.742 9.061 -1.888 186 HE2 LYS 26 1HE LYS 26 -0.851 10.467 -2.379 187 HE3 LYS 26 2HE LYS 26 -1.484 10.841 -3.992 188 HZ1 LYS 26 3HZ LYS 26 -3.379 11.951 -2.919 189 HZ2 LYS 26 1HZ LYS 26 -1.989 12.633 -2.413 190 HZ3 LYS 26 2HZ LYS 26 -2.798 11.613 -1.429 191 H ALA 27 H ALA 27 -2.854 6.491 -0.105 192 HA ALA 27 HA ALA 27 -1.583 8.842 1.076 193 HB1 ALA 27 1HB ALA 27 -3.325 8.577 2.793 194 HB2 ALA 27 2HB ALA 27 -4.030 8.444 1.167 195 HB3 ALA 27 3HB ALA 27 -3.755 6.984 2.143 196 H HIS 28 H HIS 28 -1.625 5.330 1.752 197 HA HIS 28 HA HIS 28 -0.035 5.376 4.142 198 HB2 HIS 28 1HB HIS 28 -1.372 3.497 3.685 199 HB3 HIS 28 2HB HIS 28 -0.693 3.273 2.082 200 HD1 HIS 28 1HD HIS 28 0.178 2.634 5.744 201 HD2 HIS 28 2HD HIS 28 1.699 2.113 1.857 202 HE1 HIS 28 1HE HIS 28 2.194 1.123 5.996 203 H MET 29 H MET 29 0.914 5.035 0.667 204 HA MET 29 HA MET 29 3.704 4.706 1.151 205 HB2 MET 29 1HB MET 29 2.299 5.891 -1.279 206 HB3 MET 29 2HB MET 29 3.979 5.351 -1.223 207 HG2 MET 29 1HG MET 29 1.491 3.648 -0.955 208 HG3 MET 29 2HG MET 29 2.643 3.618 -2.250 209 HE1 MET 29 3HE MET 29 5.472 3.540 -0.687 210 HE2 MET 29 1HE MET 29 5.676 1.768 -0.641 211 HE3 MET 29 2HE MET 29 5.019 2.548 -2.100 212 H ASN 30 H ASN 30 1.779 7.636 1.128 213 HA ASN 30 HA ASN 30 4.038 9.463 1.076 214 HB2 ASN 30 1HB ASN 30 1.093 9.726 1.664 215 HB3 ASN 30 2HB ASN 30 2.197 11.001 2.170 216 HD21 ASN 30 1HD2 ASN 30 1.031 9.240 -0.741 217 HD22 ASN 30 2HD2 ASN 30 1.579 10.504 -1.834 218 H ARG 31 H ARG 31 2.767 7.419 3.615 219 HA ARG 31 HA ARG 31 4.056 8.880 5.819 220 HB2 ARG 31 1HB ARG 31 3.167 5.978 5.746 221 HB3 ARG 31 2HB ARG 31 3.587 6.938 7.159 222 HG2 ARG 31 1HG ARG 31 1.671 8.473 6.714 223 HG3 ARG 31 2HG ARG 31 1.219 7.491 5.315 224 HD2 ARG 31 1HD ARG 31 -0.194 6.827 7.124 225 HD3 ARG 31 2HD ARG 31 0.935 5.518 6.785 226 HE ARG 31 HE ARG 31 1.907 5.781 8.878 227 HH11 ARG 31 2HH1 ARG 31 -0.198 8.546 8.398 228 HH12 ARG 31 1HH1 ARG 31 -0.044 9.058 10.056 229 HH21 ARG 31 2HH2 ARG 31 2.064 6.501 10.967 230 HH22 ARG 31 1HH2 ARG 31 1.204 7.928 11.463 231 H HIS 32 H HIS 32 4.964 6.280 3.592 232 HA HIS 32 HA HIS 32 7.570 5.809 4.822 233 HB2 HIS 32 1HB HIS 32 6.407 5.064 2.108 234 HB3 HIS 32 2HB HIS 32 8.009 4.607 2.655 235 HD1 HIS 32 1HD HIS 32 7.923 3.110 5.130 236 HD2 HIS 32 2HD HIS 32 4.725 3.142 2.411 237 HE1 HIS 32 1HE HIS 32 6.663 0.946 5.528 238 H SER 33 H SER 33 6.309 8.141 2.563 239 HA SER 33 HA SER 33 8.767 8.738 1.183 240 HB2 SER 33 1HB SER 33 6.121 10.217 1.251 241 HB3 SER 33 2HB SER 33 7.452 10.570 0.147 242 HG SER 33 HG SER 33 6.051 8.088 0.327 243 H THR 34 H THR 34 9.042 9.077 4.097 244 HA THR 34 HA THR 34 9.484 11.958 4.542 245 HB THR 34 HB THR 34 10.460 11.152 6.713 246 HG1 THR 34 1HG THR 34 10.118 8.987 7.230 247 HG21 THR 34 3HG2 THR 34 8.078 11.797 6.547 248 HG22 THR 34 1HG2 THR 34 8.320 10.479 7.705 249 HG23 THR 34 2HG2 THR 34 7.652 10.133 6.095 250 H GLU 35 H GLU 35 11.301 9.326 3.248 251 HA GLU 35 HA GLU 35 13.915 10.604 3.704 252 HB2 GLU 35 1HB GLU 35 14.855 8.665 2.654 253 HB3 GLU 35 2HB GLU 35 13.702 8.198 3.904 254 HG2 GLU 35 1HG GLU 35 12.005 7.682 2.175 255 HG3 GLU 35 2HG GLU 35 13.117 8.205 0.908 256 H LYS 36 H LYS 36 15.422 10.993 1.954 257 HA LYS 36 HA LYS 36 14.249 11.942 -0.620 258 HB2 LYS 36 1HB LYS 36 16.069 13.548 1.225 259 HB3 LYS 36 2HB LYS 36 15.663 13.981 -0.439 260 HG2 LYS 36 1HG LYS 36 13.250 14.105 0.180 261 HG3 LYS 36 2HG LYS 36 13.677 13.746 1.867 262 HD2 LYS 36 1HD LYS 36 15.095 15.781 1.946 263 HD3 LYS 36 2HD LYS 36 14.647 16.153 0.265 264 HE2 LYS 36 1HE LYS 36 12.256 16.268 0.931 265 HE3 LYS 36 2HE LYS 36 12.699 15.895 2.602 266 HZ1 LYS 36 3HZ LYS 36 12.429 18.285 2.271 267 HZ2 LYS 36 1HZ LYS 36 13.573 18.313 1.109 268 HZ3 LYS 36 2HZ LYS 36 13.983 17.968 2.654 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -14.240 -24.843 -1.340 2 H2 GLY 1 2H GLY 1 -13.414 -25.171 0.036 3 H3 GLY 1 3H GLY 1 -13.671 -23.616 -0.416 4 HA2 GLY 1 1HA GLY 1 -15.770 -25.526 0.381 5 HA3 GLY 1 2HA GLY 1 -15.142 -24.218 1.399 6 H SER 2 H SER 2 -17.892 -24.646 0.501 7 HA SER 2 HA SER 2 -18.636 -23.115 -1.729 8 HB2 SER 2 1HB SER 2 -20.288 -23.677 0.760 9 HB3 SER 2 2HB SER 2 -20.901 -23.284 -0.858 10 HG SER 2 HG SER 2 -20.911 -25.548 -0.458 11 H SER 3 H SER 3 -17.710 -21.869 1.379 12 HA SER 3 HA SER 3 -19.046 -19.291 1.171 13 HB2 SER 3 1HB SER 3 -17.540 -18.728 3.087 14 HB3 SER 3 2HB SER 3 -18.547 -20.163 3.341 15 HG SER 3 HG SER 3 -16.349 -20.496 3.970 16 H GLY 4 H GLY 4 -16.326 -20.589 -0.459 17 HA2 GLY 4 1HA GLY 4 -14.942 -19.611 -2.034 18 HA3 GLY 4 2HA GLY 4 -15.744 -18.070 -1.760 19 H SER 5 H SER 5 -13.694 -17.062 -1.971 20 HA SER 5 HA SER 5 -12.082 -16.924 0.507 21 HB2 SER 5 1HB SER 5 -9.975 -17.111 -0.731 22 HB3 SER 5 2HB SER 5 -10.931 -18.592 -0.858 23 HG SER 5 HG SER 5 -10.065 -17.953 -2.886 24 H SER 6 H SER 6 -10.506 -15.097 0.438 25 HA SER 6 HA SER 6 -11.274 -12.804 -1.279 26 HB2 SER 6 1HB SER 6 -11.544 -11.344 0.673 27 HB3 SER 6 2HB SER 6 -12.737 -12.650 0.666 28 HG SER 6 HG SER 6 -11.800 -12.362 2.740 29 H GLY 7 H GLY 7 -9.837 -10.920 -0.987 30 HA2 GLY 7 1HA GLY 7 -7.278 -11.049 0.273 31 HA3 GLY 7 2HA GLY 7 -7.121 -11.523 -1.424 32 H LYS 8 H LYS 8 -5.700 -9.431 -0.966 33 HA LYS 8 HA LYS 8 -7.322 -6.999 -1.521 34 HB2 LYS 8 1HB LYS 8 -4.792 -7.334 0.088 35 HB3 LYS 8 2HB LYS 8 -5.396 -5.758 -0.450 36 HG2 LYS 8 1HG LYS 8 -7.512 -6.082 0.726 37 HG3 LYS 8 2HG LYS 8 -7.034 -7.717 1.228 38 HD2 LYS 8 1HD LYS 8 -5.155 -6.819 2.522 39 HD3 LYS 8 2HD LYS 8 -5.518 -5.189 1.917 40 HE2 LYS 8 1HE LYS 8 -7.744 -5.288 3.027 41 HE3 LYS 8 2HE LYS 8 -7.313 -6.869 3.700 42 HZ1 LYS 8 3HZ LYS 8 -5.501 -5.819 4.906 43 HZ2 LYS 8 1HZ LYS 8 -6.860 -4.984 5.244 44 HZ3 LYS 8 2HZ LYS 8 -5.757 -4.369 4.195 45 HA PRO 9 HA PRO 9 -5.115 -6.533 -5.317 46 HB2 PRO 9 1HB PRO 9 -5.951 -4.059 -6.093 47 HB3 PRO 9 2HB PRO 9 -7.032 -5.488 -6.031 48 HG2 PRO 9 1HG PRO 9 -6.637 -3.389 -3.857 49 HG3 PRO 9 2HG PRO 9 -8.187 -3.927 -4.599 50 HD2 PRO 9 1HD PRO 9 -7.223 -4.956 -2.274 51 HD3 PRO 9 2HD PRO 9 -8.033 -6.013 -3.488 52 H PHE 10 H PHE 10 -4.814 -3.744 -3.007 53 HA PHE 10 HA PHE 10 -2.218 -2.989 -4.282 54 HB2 PHE 10 1HB PHE 10 -4.074 -1.252 -2.663 55 HB3 PHE 10 2HB PHE 10 -2.681 -0.764 -3.588 56 HD1 PHE 10 1HD PHE 10 -2.633 -1.325 -6.133 57 HD2 PHE 10 2HD PHE 10 -6.211 -1.114 -3.745 58 HE1 PHE 10 1HE PHE 10 -3.979 -1.091 -8.187 59 HE2 PHE 10 2HE PHE 10 -7.579 -0.926 -5.814 60 HZ PHE 10 HZ PHE 10 -6.465 -0.892 -8.042 61 H LYS 11 H LYS 11 -0.962 -4.288 -3.330 62 HA LYS 11 HA LYS 11 -0.450 -4.187 -0.406 63 HB2 LYS 11 1HB LYS 11 -0.655 -6.341 -1.728 64 HB3 LYS 11 2HB LYS 11 0.820 -5.910 -2.573 65 HG2 LYS 11 1HG LYS 11 0.531 -6.470 0.418 66 HG3 LYS 11 2HG LYS 11 1.167 -7.565 -0.812 67 HD2 LYS 11 1HD LYS 11 2.924 -5.709 -1.284 68 HD3 LYS 11 2HD LYS 11 2.408 -5.046 0.290 69 HE2 LYS 11 1HE LYS 11 2.968 -7.190 1.376 70 HE3 LYS 11 2HE LYS 11 3.484 -7.852 -0.186 71 HZ1 LYS 11 3HZ LYS 11 5.383 -6.969 1.064 72 HZ2 LYS 11 1HZ LYS 11 4.674 -5.486 1.155 73 HZ3 LYS 11 2HZ LYS 11 5.159 -6.065 -0.289 74 H CYS 12 H CYS 12 0.927 -2.827 0.334 75 HA CYS 12 HA CYS 12 2.401 -0.842 -0.947 76 HB2 CYS 12 1HB CYS 12 1.732 -0.865 1.389 77 HB3 CYS 12 2HB CYS 12 2.784 -2.247 1.715 78 H SER 13 H SER 13 4.323 -0.641 -1.902 79 HA SER 13 HA SER 13 5.882 -2.952 -2.650 80 HB2 SER 13 1HB SER 13 6.544 0.002 -2.956 81 HB3 SER 13 2HB SER 13 7.299 -1.347 -3.827 82 HG SER 13 HG SER 13 5.657 -0.345 -5.073 83 H LEU 14 H LEU 14 5.880 -1.306 0.242 84 HA LEU 14 HA LEU 14 8.829 -1.578 0.748 85 HB2 LEU 14 1HB LEU 14 6.826 0.345 1.982 86 HB3 LEU 14 2HB LEU 14 8.562 0.375 2.181 87 HG LEU 14 HG LEU 14 7.159 0.826 -0.501 88 HD11 LEU 14 1HD1 LEU 14 7.666 3.197 -0.214 89 HD12 LEU 14 2HD1 LEU 14 8.242 2.868 1.443 90 HD13 LEU 14 3HD1 LEU 14 6.536 2.587 0.992 91 HD21 LEU 14 3HD2 LEU 14 9.328 1.741 -1.212 92 HD22 LEU 14 1HD2 LEU 14 9.481 0.047 -0.728 93 HD23 LEU 14 2HD2 LEU 14 10.029 1.332 0.372 94 H CYS 15 H CYS 15 5.612 -1.914 2.166 95 HA CYS 15 HA CYS 15 6.706 -3.735 4.267 96 HB2 CYS 15 1HB CYS 15 5.664 -2.617 6.007 97 HB3 CYS 15 2HB CYS 15 6.378 -1.348 5.039 98 H GLU 16 H GLU 16 4.561 -4.431 5.635 99 HA GLU 16 HA GLU 16 3.149 -6.192 3.730 100 HB2 GLU 16 1HB GLU 16 4.431 -6.909 5.891 101 HB3 GLU 16 2HB GLU 16 2.983 -6.378 6.747 102 HG2 GLU 16 1HG GLU 16 1.640 -8.042 5.465 103 HG3 GLU 16 2HG GLU 16 3.058 -8.455 4.504 104 H TYR 17 H TYR 17 2.479 -3.206 4.509 105 HA TYR 17 HA TYR 17 -0.337 -3.319 5.198 106 HB2 TYR 17 1HB TYR 17 1.017 -1.318 5.413 107 HB3 TYR 17 2HB TYR 17 1.348 -1.292 3.700 108 HD1 TYR 17 1HD TYR 17 -0.428 -0.658 2.068 109 HD2 TYR 17 2HD TYR 17 -1.127 -0.481 6.314 110 HE1 TYR 17 1HE TYR 17 -2.395 0.849 1.681 111 HE2 TYR 17 2HE TYR 17 -3.091 1.005 5.923 112 HH TYR 17 HH TYR 17 -4.402 2.061 4.376 113 H ALA 18 H ALA 18 -2.137 -3.475 3.971 114 HA ALA 18 HA ALA 18 -1.985 -3.094 1.120 115 HB1 ALA 18 1HB ALA 18 -2.958 -5.784 2.166 116 HB2 ALA 18 2HB ALA 18 -3.006 -5.234 0.464 117 HB3 ALA 18 3HB ALA 18 -1.447 -5.508 1.290 118 H THR 19 H THR 19 -3.954 -2.692 0.117 119 HA THR 19 HA THR 19 -6.417 -2.471 1.784 120 HB THR 19 HB THR 19 -5.304 -0.323 2.022 121 HG1 THR 19 1HG THR 19 -7.349 0.155 1.879 122 HG21 THR 19 3HG2 THR 19 -4.841 1.116 0.150 123 HG22 THR 19 1HG2 THR 19 -5.264 -0.154 -1.009 124 HG23 THR 19 2HG2 THR 19 -3.848 -0.332 0.054 125 H ARG 20 H ARG 20 -8.329 -2.023 0.561 126 HA ARG 20 HA ARG 20 -8.509 -3.364 -2.069 127 HB2 ARG 20 1HB ARG 20 -10.574 -2.207 -0.175 128 HB3 ARG 20 2HB ARG 20 -10.976 -2.896 -1.735 129 HG2 ARG 20 1HG ARG 20 -9.646 -4.410 0.556 130 HG3 ARG 20 2HG ARG 20 -11.355 -4.461 0.148 131 HD2 ARG 20 1HD ARG 20 -9.074 -5.509 -1.577 132 HD3 ARG 20 2HD ARG 20 -10.224 -6.462 -0.652 133 HE ARG 20 HE ARG 20 -11.598 -4.726 -2.502 134 HH11 ARG 20 2HH1 ARG 20 -9.925 -7.843 -2.433 135 HH12 ARG 20 1HH1 ARG 20 -10.676 -8.333 -3.924 136 HH21 ARG 20 2HH2 ARG 20 -12.515 -5.476 -4.362 137 HH22 ARG 20 1HH2 ARG 20 -12.112 -7.057 -4.958 138 H SER 21 H SER 21 -7.932 -0.162 -1.061 139 HA SER 21 HA SER 21 -8.894 0.894 -3.708 140 HB2 SER 21 1HB SER 21 -9.013 2.207 -0.979 141 HB3 SER 21 2HB SER 21 -9.397 3.008 -2.518 142 HG SER 21 HG SER 21 -11.269 2.169 -1.455 143 H LYS 22 H LYS 22 -7.355 1.726 -4.952 144 HA LYS 22 HA LYS 22 -4.646 1.934 -4.168 145 HB2 LYS 22 1HB LYS 22 -4.221 2.829 -6.351 146 HB3 LYS 22 2HB LYS 22 -5.418 1.552 -6.465 147 HG2 LYS 22 1HG LYS 22 -7.222 3.368 -6.519 148 HG3 LYS 22 2HG LYS 22 -5.916 4.549 -6.676 149 HD2 LYS 22 1HD LYS 22 -6.525 2.255 -8.593 150 HD3 LYS 22 2HD LYS 22 -6.903 3.965 -8.849 151 HE2 LYS 22 1HE LYS 22 -4.456 4.495 -8.757 152 HE3 LYS 22 2HE LYS 22 -4.107 2.768 -8.585 153 HZ1 LYS 22 3HZ LYS 22 -5.151 2.409 -10.761 154 HZ2 LYS 22 1HZ LYS 22 -3.926 3.476 -10.898 155 HZ3 LYS 22 2HZ LYS 22 -5.469 4.005 -10.921 156 H SER 23 H SER 23 -7.131 4.397 -4.006 157 HA SER 23 HA SER 23 -5.452 6.689 -3.566 158 HB2 SER 23 1HB SER 23 -7.569 7.625 -2.565 159 HB3 SER 23 2HB SER 23 -7.731 6.993 -4.213 160 HG SER 23 HG SER 23 -9.434 6.288 -2.816 161 H ASN 24 H ASN 24 -6.703 4.164 -1.366 162 HA ASN 24 HA ASN 24 -5.691 5.488 1.041 163 HB2 ASN 24 1HB ASN 24 -6.792 2.708 0.467 164 HB3 ASN 24 2HB ASN 24 -6.132 3.164 2.031 165 HD21 ASN 24 1HD2 ASN 24 -7.170 4.943 3.234 166 HD22 ASN 24 2HD2 ASN 24 -8.864 5.281 2.909 167 H LEU 25 H LEU 25 -4.451 2.851 -1.126 168 HA LEU 25 HA LEU 25 -2.069 2.539 0.386 169 HB2 LEU 25 1HB LEU 25 -2.633 0.868 -1.272 170 HB3 LEU 25 2HB LEU 25 -2.491 2.031 -2.588 171 HG LEU 25 HG LEU 25 -0.122 2.235 -2.165 172 HD11 LEU 25 1HD1 LEU 25 -0.058 1.903 0.306 173 HD12 LEU 25 2HD1 LEU 25 1.093 0.871 -0.519 174 HD13 LEU 25 3HD1 LEU 25 -0.443 0.184 0.052 175 HD21 LEU 25 3HD2 LEU 25 -0.789 0.432 -3.648 176 HD22 LEU 25 1HD2 LEU 25 -0.844 -0.689 -2.253 177 HD23 LEU 25 2HD2 LEU 25 0.694 0.033 -2.760 178 H LYS 26 H LYS 26 -2.667 4.627 -2.424 179 HA LYS 26 HA LYS 26 -0.219 5.974 -2.685 180 HB2 LYS 26 1HB LYS 26 -2.218 6.318 -4.102 181 HB3 LYS 26 2HB LYS 26 -3.068 7.056 -2.751 182 HG2 LYS 26 1HG LYS 26 -1.194 8.890 -2.814 183 HG3 LYS 26 2HG LYS 26 -0.760 8.168 -4.367 184 HD2 LYS 26 1HD LYS 26 -2.275 9.889 -4.949 185 HD3 LYS 26 2HD LYS 26 -3.246 8.415 -4.987 186 HE2 LYS 26 1HE LYS 26 -4.607 10.011 -3.922 187 HE3 LYS 26 2HE LYS 26 -4.029 8.966 -2.624 188 HZ1 LYS 26 3HZ LYS 26 -3.867 11.324 -2.038 189 HZ2 LYS 26 1HZ LYS 26 -2.914 11.640 -3.320 190 HZ3 LYS 26 2HZ LYS 26 -2.361 10.700 -2.102 191 H ALA 27 H ALA 27 -2.773 6.619 -0.336 192 HA ALA 27 HA ALA 27 -1.468 8.864 0.968 193 HB1 ALA 27 1HB ALA 27 -3.714 7.051 1.958 194 HB2 ALA 27 2HB ALA 27 -3.265 8.637 2.617 195 HB3 ALA 27 3HB ALA 27 -3.923 8.518 0.971 196 H HIS 28 H HIS 28 -1.591 5.350 1.656 197 HA HIS 28 HA HIS 28 -0.071 5.422 4.103 198 HB2 HIS 28 1HB HIS 28 -1.459 3.568 3.676 199 HB3 HIS 28 2HB HIS 28 -0.757 3.286 2.087 200 HD1 HIS 28 1HD HIS 28 0.081 2.755 5.789 201 HD2 HIS 28 2HD HIS 28 1.594 2.039 1.934 202 HE1 HIS 28 1HE HIS 28 2.104 1.257 6.105 203 H MET 29 H MET 29 0.882 5.070 0.661 204 HA MET 29 HA MET 29 3.644 4.531 1.079 205 HB2 MET 29 1HB MET 29 2.340 5.995 -1.240 206 HB3 MET 29 2HB MET 29 3.941 5.269 -1.246 207 HG2 MET 29 1HG MET 29 1.908 3.277 -0.461 208 HG3 MET 29 2HG MET 29 1.474 4.104 -1.909 209 HE1 MET 29 3HE MET 29 5.126 3.173 -0.799 210 HE2 MET 29 1HE MET 29 4.014 1.916 -0.215 211 HE3 MET 29 2HE MET 29 5.206 1.528 -1.482 212 H ASN 30 H ASN 30 1.883 7.618 0.995 213 HA ASN 30 HA ASN 30 4.224 9.309 1.169 214 HB2 ASN 30 1HB ASN 30 1.249 9.715 1.602 215 HB3 ASN 30 2HB ASN 30 2.407 10.958 2.064 216 HD21 ASN 30 1HD2 ASN 30 1.210 9.107 -0.784 217 HD22 ASN 30 2HD2 ASN 30 1.805 10.309 -1.920 218 H ARG 31 H ARG 31 2.722 7.309 3.597 219 HA ARG 31 HA ARG 31 3.820 8.793 5.891 220 HB2 ARG 31 1HB ARG 31 2.937 5.885 5.800 221 HB3 ARG 31 2HB ARG 31 3.179 6.889 7.223 222 HG2 ARG 31 1HG ARG 31 1.296 8.358 6.553 223 HG3 ARG 31 2HG ARG 31 1.031 7.353 5.117 224 HD2 ARG 31 1HD ARG 31 0.656 5.378 6.597 225 HD3 ARG 31 2HD ARG 31 0.789 6.453 8.006 226 HE ARG 31 HE ARG 31 -1.153 7.526 6.213 227 HH11 ARG 31 2HH1 ARG 31 -0.868 4.822 8.424 228 HH12 ARG 31 1HH1 ARG 31 -2.592 4.702 8.642 229 HH21 ARG 31 2HH2 ARG 31 -3.341 7.333 6.558 230 HH22 ARG 31 1HH2 ARG 31 -3.948 6.094 7.617 231 H HIS 32 H HIS 32 4.991 6.318 3.682 232 HA HIS 32 HA HIS 32 7.396 5.739 5.241 233 HB2 HIS 32 1HB HIS 32 6.633 5.152 2.353 234 HB3 HIS 32 2HB HIS 32 8.145 4.669 3.098 235 HD1 HIS 32 1HD HIS 32 7.858 2.963 5.314 236 HD2 HIS 32 2HD HIS 32 4.730 3.339 2.529 237 HE1 HIS 32 1HE HIS 32 6.466 0.863 5.559 238 H SER 33 H SER 33 6.464 8.173 2.868 239 HA SER 33 HA SER 33 9.049 8.983 2.023 240 HB2 SER 33 1HB SER 33 6.468 10.587 2.068 241 HB3 SER 33 2HB SER 33 7.907 10.949 1.107 242 HG SER 33 HG SER 33 6.482 9.826 -0.186 243 H THR 34 H THR 34 8.015 9.312 5.165 244 HA THR 34 HA THR 34 8.865 12.024 5.762 245 HB THR 34 HB THR 34 8.731 11.270 8.123 246 HG1 THR 34 1HG THR 34 7.949 9.156 8.479 247 HG21 THR 34 3HG2 THR 34 6.320 10.398 6.467 248 HG22 THR 34 1HG2 THR 34 6.690 12.067 6.954 249 HG23 THR 34 2HG2 THR 34 6.328 10.845 8.186 250 H GLU 35 H GLU 35 10.658 9.191 5.099 251 HA GLU 35 HA GLU 35 13.150 10.463 6.136 252 HB2 GLU 35 1HB GLU 35 12.423 8.628 7.645 253 HB3 GLU 35 2HB GLU 35 12.476 7.498 6.287 254 HG2 GLU 35 1HG GLU 35 14.900 7.870 6.041 255 HG3 GLU 35 2HG GLU 35 14.860 9.115 7.294 256 H LYS 36 H LYS 36 14.897 10.377 4.802 257 HA LYS 36 HA LYS 36 14.630 9.133 2.094 258 HB2 LYS 36 1HB LYS 36 15.707 11.884 2.820 259 HB3 LYS 36 2HB LYS 36 15.752 11.151 1.212 260 HG2 LYS 36 1HG LYS 36 13.262 11.037 1.194 261 HG3 LYS 36 2HG LYS 36 13.208 11.848 2.763 262 HD2 LYS 36 1HD LYS 36 14.404 13.021 0.224 263 HD3 LYS 36 2HD LYS 36 12.787 13.368 0.861 264 HE2 LYS 36 1HE LYS 36 13.804 14.263 2.952 265 HE3 LYS 36 2HE LYS 36 15.416 13.961 2.291 266 HZ1 LYS 36 3HZ LYS 36 14.903 15.526 0.495 267 HZ2 LYS 36 1HZ LYS 36 14.739 16.262 1.941 268 HZ3 LYS 36 2HZ LYS 36 13.413 15.808 1.107 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -13.469 -15.197 0.476 2 H2 GLY 1 2H GLY 1 -13.827 -14.739 2.011 3 H3 GLY 1 3H GLY 1 -12.766 -13.869 1.121 4 HA2 GLY 1 1HA GLY 1 -14.458 -13.166 -0.412 5 HA3 GLY 1 2HA GLY 1 -15.626 -14.181 0.455 6 H SER 2 H SER 2 -16.981 -12.931 1.639 7 HA SER 2 HA SER 2 -16.391 -10.328 2.669 8 HB2 SER 2 1HB SER 2 -18.503 -12.308 3.604 9 HB3 SER 2 2HB SER 2 -18.498 -10.555 3.876 10 HG SER 2 HG SER 2 -19.816 -11.154 2.086 11 H SER 3 H SER 3 -15.712 -13.478 3.936 12 HA SER 3 HA SER 3 -14.240 -12.295 6.212 13 HB2 SER 3 1HB SER 3 -16.445 -13.246 7.023 14 HB3 SER 3 2HB SER 3 -15.883 -14.839 6.483 15 HG SER 3 HG SER 3 -15.435 -14.393 8.721 16 H GLY 4 H GLY 4 -12.752 -14.114 7.114 17 HA2 GLY 4 1HA GLY 4 -11.147 -15.800 6.755 18 HA3 GLY 4 2HA GLY 4 -11.638 -15.947 5.075 19 H SER 5 H SER 5 -9.164 -16.104 5.142 20 HA SER 5 HA SER 5 -7.655 -13.643 5.508 21 HB2 SER 5 1HB SER 5 -5.700 -15.158 5.221 22 HB3 SER 5 2HB SER 5 -6.828 -15.647 6.489 23 HG SER 5 HG SER 5 -6.184 -17.412 5.148 24 H SER 6 H SER 6 -9.437 -13.758 3.103 25 HA SER 6 HA SER 6 -8.058 -14.167 0.702 26 HB2 SER 6 1HB SER 6 -10.214 -12.097 1.268 27 HB3 SER 6 2HB SER 6 -9.763 -12.732 -0.325 28 HG SER 6 HG SER 6 -10.368 -14.830 0.437 29 H GLY 7 H GLY 7 -6.820 -13.001 -0.663 30 HA2 GLY 7 1HA GLY 7 -5.107 -10.944 0.383 31 HA3 GLY 7 2HA GLY 7 -5.106 -11.577 -1.258 32 H LYS 8 H LYS 8 -4.612 -8.918 -0.630 33 HA LYS 8 HA LYS 8 -7.051 -7.378 -1.428 34 HB2 LYS 8 1HB LYS 8 -4.664 -6.691 0.300 35 HB3 LYS 8 2HB LYS 8 -5.625 -5.427 -0.447 36 HG2 LYS 8 1HG LYS 8 -6.373 -5.684 1.789 37 HG3 LYS 8 2HG LYS 8 -7.656 -6.258 0.720 38 HD2 LYS 8 1HD LYS 8 -7.099 -8.573 1.212 39 HD3 LYS 8 2HD LYS 8 -5.649 -8.086 2.122 40 HE2 LYS 8 1HE LYS 8 -7.124 -6.967 3.785 41 HE3 LYS 8 2HE LYS 8 -8.543 -7.458 2.842 42 HZ1 LYS 8 3HZ LYS 8 -7.762 -9.807 3.165 43 HZ2 LYS 8 1HZ LYS 8 -8.205 -9.074 4.570 44 HZ3 LYS 8 2HZ LYS 8 -6.625 -9.271 4.203 45 HA PRO 9 HA PRO 9 -5.204 -6.374 -5.254 46 HB2 PRO 9 1HB PRO 9 -6.294 -3.950 -5.898 47 HB3 PRO 9 2HB PRO 9 -7.223 -5.480 -5.842 48 HG2 PRO 9 1HG PRO 9 -6.917 -3.431 -3.620 49 HG3 PRO 9 2HG PRO 9 -8.448 -4.082 -4.308 50 HD2 PRO 9 1HD PRO 9 -7.375 -5.111 -2.057 51 HD3 PRO 9 2HD PRO 9 -8.016 -6.222 -3.309 52 H PHE 10 H PHE 10 -4.854 -3.675 -2.854 53 HA PHE 10 HA PHE 10 -2.325 -2.838 -4.235 54 HB2 PHE 10 1HB PHE 10 -4.137 -1.143 -2.525 55 HB3 PHE 10 2HB PHE 10 -2.750 -0.631 -3.452 56 HD1 PHE 10 1HD PHE 10 -2.733 -0.861 -5.983 57 HD2 PHE 10 2HD PHE 10 -6.299 -1.249 -3.606 58 HE1 PHE 10 1HE PHE 10 -4.115 -0.560 -8.016 59 HE2 PHE 10 2HE PHE 10 -7.696 -0.981 -5.651 60 HZ PHE 10 HZ PHE 10 -6.599 -0.605 -7.857 61 H LYS 11 H LYS 11 -1.054 -4.174 -3.362 62 HA LYS 11 HA LYS 11 -0.497 -4.209 -0.443 63 HB2 LYS 11 1HB LYS 11 -0.759 -6.302 -1.861 64 HB3 LYS 11 2HB LYS 11 0.725 -5.862 -2.691 65 HG2 LYS 11 1HG LYS 11 0.424 -6.553 0.271 66 HG3 LYS 11 2HG LYS 11 1.054 -7.594 -1.006 67 HD2 LYS 11 1HD LYS 11 2.841 -5.755 -1.380 68 HD3 LYS 11 2HD LYS 11 2.317 -5.136 0.208 69 HE2 LYS 11 1HE LYS 11 2.830 -7.320 1.232 70 HE3 LYS 11 2HE LYS 11 3.360 -7.937 -0.343 71 HZ1 LYS 11 3HZ LYS 11 4.567 -5.636 1.097 72 HZ2 LYS 11 1HZ LYS 11 5.055 -6.164 -0.366 73 HZ3 LYS 11 2HZ LYS 11 5.255 -7.123 0.951 74 H CYS 12 H CYS 12 0.906 -2.900 0.329 75 HA CYS 12 HA CYS 12 2.423 -0.907 -0.880 76 HB2 CYS 12 1HB CYS 12 1.757 -1.022 1.458 77 HB3 CYS 12 2HB CYS 12 2.810 -2.416 1.727 78 H SER 13 H SER 13 4.356 -0.692 -1.799 79 HA SER 13 HA SER 13 5.889 -3.004 -2.635 80 HB2 SER 13 1HB SER 13 6.540 -0.040 -2.864 81 HB3 SER 13 2HB SER 13 7.323 -1.359 -3.755 82 HG SER 13 HG SER 13 5.684 -0.346 -4.996 83 H LEU 14 H LEU 14 5.892 -1.430 0.300 84 HA LEU 14 HA LEU 14 8.839 -1.736 0.798 85 HB2 LEU 14 1HB LEU 14 6.853 0.177 2.069 86 HB3 LEU 14 2HB LEU 14 8.588 0.188 2.278 87 HG LEU 14 HG LEU 14 7.209 0.700 -0.403 88 HD11 LEU 14 1HD1 LEU 14 7.649 3.056 -0.083 89 HD12 LEU 14 2HD1 LEU 14 8.305 2.730 1.548 90 HD13 LEU 14 3HD1 LEU 14 6.589 2.425 1.172 91 HD21 LEU 14 3HD2 LEU 14 10.069 1.182 0.508 92 HD22 LEU 14 1HD2 LEU 14 9.383 1.629 -1.074 93 HD23 LEU 14 2HD2 LEU 14 9.526 -0.076 -0.625 94 H CYS 15 H CYS 15 5.621 -2.080 2.201 95 HA CYS 15 HA CYS 15 6.702 -3.935 4.277 96 HB2 CYS 15 1HB CYS 15 5.644 -2.856 6.032 97 HB3 CYS 15 2HB CYS 15 6.374 -1.571 5.102 98 H GLU 16 H GLU 16 4.552 -4.671 5.610 99 HA GLU 16 HA GLU 16 3.167 -6.406 3.663 100 HB2 GLU 16 1HB GLU 16 4.419 -7.147 5.829 101 HB3 GLU 16 2HB GLU 16 2.968 -6.614 6.679 102 HG2 GLU 16 1HG GLU 16 1.624 -8.263 5.388 103 HG3 GLU 16 2HG GLU 16 3.040 -8.675 4.422 104 H TYR 17 H TYR 17 2.480 -3.424 4.526 105 HA TYR 17 HA TYR 17 -0.334 -3.548 5.196 106 HB2 TYR 17 1HB TYR 17 1.063 -1.570 5.460 107 HB3 TYR 17 2HB TYR 17 1.356 -1.490 3.744 108 HD1 TYR 17 2HD TYR 17 -1.101 -0.843 6.435 109 HD2 TYR 17 1HD TYR 17 -0.377 -0.663 2.195 110 HE1 TYR 17 2HE TYR 17 -3.012 0.742 6.166 111 HE2 TYR 17 1HE TYR 17 -2.271 0.942 1.926 112 HH TYR 17 HH TYR 17 -3.921 2.124 2.997 113 H ALA 18 H ALA 18 -2.134 -3.700 3.974 114 HA ALA 18 HA ALA 18 -1.991 -3.215 1.134 115 HB1 ALA 18 1HB ALA 18 -3.067 -5.912 2.031 116 HB2 ALA 18 2HB ALA 18 -2.896 -5.299 0.359 117 HB3 ALA 18 3HB ALA 18 -1.451 -5.670 1.337 118 H THR 19 H THR 19 -3.959 -2.747 0.157 119 HA THR 19 HA THR 19 -6.399 -2.525 1.854 120 HB THR 19 HB THR 19 -5.043 -0.487 2.224 121 HG1 THR 19 1HG THR 19 -7.125 -0.082 2.372 122 HG21 THR 19 3HG2 THR 19 -4.590 1.073 0.537 123 HG22 THR 19 1HG2 THR 19 -5.328 0.064 -0.733 124 HG23 THR 19 2HG2 THR 19 -3.830 -0.437 0.086 125 H ARG 20 H ARG 20 -8.238 -1.627 0.616 126 HA ARG 20 HA ARG 20 -8.507 -3.127 -1.910 127 HB2 ARG 20 1HB ARG 20 -10.373 -2.129 0.227 128 HB3 ARG 20 2HB ARG 20 -11.051 -2.344 -1.376 129 HG2 ARG 20 1HG ARG 20 -9.414 -4.491 -0.002 130 HG3 ARG 20 2HG ARG 20 -11.162 -4.368 0.205 131 HD2 ARG 20 1HD ARG 20 -9.863 -4.650 -2.551 132 HD3 ARG 20 2HD ARG 20 -10.311 -6.020 -1.560 133 HE ARG 20 HE ARG 20 -12.594 -5.548 -1.808 134 HH11 ARG 20 2HH1 ARG 20 -10.851 -3.035 -3.621 135 HH12 ARG 20 1HH1 ARG 20 -12.211 -2.804 -4.668 136 HH21 ARG 20 2HH2 ARG 20 -14.259 -5.074 -3.143 137 HH22 ARG 20 1HH2 ARG 20 -14.080 -3.861 -4.376 138 H SER 21 H SER 21 -7.864 0.064 -1.217 139 HA SER 21 HA SER 21 -8.738 0.866 -3.971 140 HB2 SER 21 1HB SER 21 -10.330 1.843 -2.422 141 HB3 SER 21 2HB SER 21 -9.012 2.537 -1.455 142 HG SER 21 HG SER 21 -10.012 3.983 -3.044 143 H LYS 22 H LYS 22 -7.305 1.966 -5.168 144 HA LYS 22 HA LYS 22 -4.548 2.074 -4.436 145 HB2 LYS 22 1HB LYS 22 -4.195 3.187 -6.546 146 HB3 LYS 22 2HB LYS 22 -5.336 1.874 -6.733 147 HG2 LYS 22 1HG LYS 22 -7.230 3.503 -6.757 148 HG3 LYS 22 2HG LYS 22 -6.071 4.825 -6.567 149 HD2 LYS 22 1HD LYS 22 -6.709 4.672 -8.879 150 HD3 LYS 22 2HD LYS 22 -5.005 4.221 -8.720 151 HE2 LYS 22 1HE LYS 22 -5.629 1.818 -8.847 152 HE3 LYS 22 2HE LYS 22 -7.340 2.261 -8.943 153 HZ1 LYS 22 3HZ LYS 22 -5.277 2.992 -10.955 154 HZ2 LYS 22 1HZ LYS 22 -6.858 3.397 -11.045 155 HZ3 LYS 22 2HZ LYS 22 -6.408 1.832 -11.145 156 H SER 23 H SER 23 -7.078 4.511 -4.118 157 HA SER 23 HA SER 23 -5.384 6.739 -3.490 158 HB2 SER 23 1HB SER 23 -8.257 6.182 -2.658 159 HB3 SER 23 2HB SER 23 -7.432 7.753 -2.586 160 HG SER 23 HG SER 23 -8.687 7.509 -4.504 161 H ASN 24 H ASN 24 -6.630 4.079 -1.494 162 HA ASN 24 HA ASN 24 -5.866 5.266 1.067 163 HB2 ASN 24 1HB ASN 24 -6.488 2.402 0.233 164 HB3 ASN 24 2HB ASN 24 -6.175 2.908 1.885 165 HD21 ASN 24 1HD2 ASN 24 -8.394 1.570 1.407 166 HD22 ASN 24 2HD2 ASN 24 -9.797 2.638 1.526 167 H LEU 25 H LEU 25 -4.411 2.680 -1.036 168 HA LEU 25 HA LEU 25 -2.046 2.497 0.469 169 HB2 LEU 25 1HB LEU 25 -2.611 0.821 -1.215 170 HB3 LEU 25 2HB LEU 25 -2.416 1.995 -2.515 171 HG LEU 25 HG LEU 25 -0.054 2.180 -2.012 172 HD11 LEU 25 1HD1 LEU 25 -0.473 0.077 0.138 173 HD12 LEU 25 2HD1 LEU 25 -0.060 1.785 0.441 174 HD13 LEU 25 3HD1 LEU 25 1.092 0.748 -0.373 175 HD21 LEU 25 3HD2 LEU 25 0.748 -0.008 -2.666 176 HD22 LEU 25 1HD2 LEU 25 -0.718 0.422 -3.563 177 HD23 LEU 25 2HD2 LEU 25 -0.803 -0.732 -2.203 178 H LYS 26 H LYS 26 -2.715 4.617 -2.275 179 HA LYS 26 HA LYS 26 -0.228 5.936 -2.511 180 HB2 LYS 26 1HB LYS 26 -2.068 6.229 -4.051 181 HB3 LYS 26 2HB LYS 26 -3.062 7.013 -2.838 182 HG2 LYS 26 1HG LYS 26 -0.393 8.192 -3.702 183 HG3 LYS 26 2HG LYS 26 -1.822 8.384 -4.704 184 HD2 LYS 26 1HD LYS 26 -1.536 9.443 -1.861 185 HD3 LYS 26 2HD LYS 26 -1.444 10.361 -3.358 186 HE2 LYS 26 1HE LYS 26 -3.801 9.670 -3.893 187 HE3 LYS 26 2HE LYS 26 -3.897 8.872 -2.317 188 HZ1 LYS 26 3HZ LYS 26 -4.809 11.118 -2.226 189 HZ2 LYS 26 1HZ LYS 26 -3.407 11.774 -2.731 190 HZ3 LYS 26 2HZ LYS 26 -3.488 11.043 -1.272 191 H ALA 27 H ALA 27 -2.742 6.493 -0.066 192 HA ALA 27 HA ALA 27 -1.415 8.819 1.107 193 HB1 ALA 27 1HB ALA 27 -3.868 8.453 1.232 194 HB2 ALA 27 2HB ALA 27 -3.597 6.993 2.212 195 HB3 ALA 27 3HB ALA 27 -3.134 8.585 2.844 196 H HIS 28 H HIS 28 -1.524 5.310 1.812 197 HA HIS 28 HA HIS 28 0.113 5.350 4.175 198 HB2 HIS 28 1HB HIS 28 -1.335 3.532 3.735 199 HB3 HIS 28 2HB HIS 28 -0.637 3.249 2.146 200 HD1 HIS 28 1HD HIS 28 0.082 2.561 5.820 201 HD2 HIS 28 2HD HIS 28 1.702 1.993 1.984 202 HE1 HIS 28 1HE HIS 28 2.017 0.951 6.126 203 H MET 29 H MET 29 0.918 5.065 0.700 204 HA MET 29 HA MET 29 3.752 4.687 1.012 205 HB2 MET 29 1HB MET 29 2.187 5.929 -1.276 206 HB3 MET 29 2HB MET 29 3.847 5.357 -1.370 207 HG2 MET 29 1HG MET 29 1.894 3.282 -0.438 208 HG3 MET 29 2HG MET 29 1.583 3.948 -2.000 209 HE1 MET 29 3HE MET 29 5.205 1.466 -0.896 210 HE2 MET 29 1HE MET 29 5.099 3.171 -0.382 211 HE3 MET 29 2HE MET 29 3.879 1.998 0.163 212 H ASN 30 H ASN 30 1.729 7.627 0.974 213 HA ASN 30 HA ASN 30 3.986 9.454 0.990 214 HB2 ASN 30 1HB ASN 30 1.026 9.753 1.489 215 HB3 ASN 30 2HB ASN 30 2.143 11.024 1.973 216 HD21 ASN 30 1HD2 ASN 30 1.061 9.161 -0.903 217 HD22 ASN 30 2HD2 ASN 30 1.558 10.424 -2.023 218 H ARG 31 H ARG 31 2.378 7.614 3.573 219 HA ARG 31 HA ARG 31 3.680 9.026 5.767 220 HB2 ARG 31 1HB ARG 31 2.728 6.139 5.702 221 HB3 ARG 31 2HB ARG 31 3.214 7.060 7.119 222 HG2 ARG 31 1HG ARG 31 1.350 8.669 6.741 223 HG3 ARG 31 2HG ARG 31 0.840 7.729 5.335 224 HD2 ARG 31 1HD ARG 31 -0.566 7.086 7.131 225 HD3 ARG 31 2HD ARG 31 0.516 5.733 6.820 226 HE ARG 31 HE ARG 31 0.586 7.633 9.136 227 HH11 ARG 31 2HH1 ARG 31 1.846 4.633 7.813 228 HH12 ARG 31 1HH1 ARG 31 2.545 4.164 9.339 229 HH21 ARG 31 2HH2 ARG 31 1.507 6.967 11.027 230 HH22 ARG 31 1HH2 ARG 31 2.359 5.453 11.100 231 H HIS 32 H HIS 32 4.598 6.135 3.853 232 HA HIS 32 HA HIS 32 7.162 5.751 5.083 233 HB2 HIS 32 1HB HIS 32 6.095 5.105 2.306 234 HB3 HIS 32 2HB HIS 32 7.729 4.720 2.808 235 HD1 HIS 32 1HD HIS 32 7.877 3.020 5.062 236 HD2 HIS 32 2HD HIS 32 4.428 3.155 2.670 237 HE1 HIS 32 1HE HIS 32 6.722 0.790 5.401 238 H SER 33 H SER 33 6.093 7.967 2.543 239 HA SER 33 HA SER 33 8.749 8.841 1.763 240 HB2 SER 33 1HB SER 33 6.013 10.001 1.149 241 HB3 SER 33 2HB SER 33 7.538 10.474 0.416 242 HG SER 33 HG SER 33 6.255 7.930 0.264 243 H THR 34 H THR 34 7.300 9.535 4.590 244 HA THR 34 HA THR 34 7.298 12.265 5.069 245 HB THR 34 HB THR 34 6.606 10.572 6.652 246 HG1 THR 34 1HG THR 34 7.477 11.519 8.486 247 HG21 THR 34 3HG2 THR 34 8.508 8.952 6.224 248 HG22 THR 34 1HG2 THR 34 8.121 9.213 7.934 249 HG23 THR 34 2HG2 THR 34 9.546 9.995 7.210 250 H GLU 35 H GLU 35 8.719 13.879 5.476 251 HA GLU 35 HA GLU 35 11.427 13.548 4.464 252 HB2 GLU 35 1HB GLU 35 11.541 15.883 4.376 253 HB3 GLU 35 2HB GLU 35 9.935 15.446 3.836 254 HG2 GLU 35 1HG GLU 35 10.701 16.580 6.566 255 HG3 GLU 35 2HG GLU 35 9.967 17.469 5.244 256 H LYS 36 H LYS 36 13.323 14.414 5.361 257 HA LYS 36 HA LYS 36 13.611 14.187 8.312 258 HB2 LYS 36 1HB LYS 36 13.891 11.965 7.144 259 HB3 LYS 36 2HB LYS 36 15.252 12.657 6.247 260 HG2 LYS 36 1HG LYS 36 16.410 13.114 8.404 261 HG3 LYS 36 2HG LYS 36 15.019 12.424 9.276 262 HD2 LYS 36 1HD LYS 36 15.396 10.247 8.146 263 HD3 LYS 36 2HD LYS 36 16.776 10.940 7.266 264 HE2 LYS 36 1HE LYS 36 17.912 11.412 9.429 265 HE3 LYS 36 2HE LYS 36 16.538 10.724 10.305 266 HZ1 LYS 36 3HZ LYS 36 18.325 9.102 10.047 267 HZ2 LYS 36 1HZ LYS 36 18.281 9.223 8.421 268 HZ3 LYS 36 2HZ LYS 36 17.011 8.586 9.230 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 7.190 -19.874 -8.263 2 H2 GLY 1 2H GLY 1 7.116 -21.119 -7.201 3 H3 GLY 1 3H GLY 1 8.420 -20.124 -7.208 4 HA2 GLY 1 1HA GLY 1 7.000 -19.611 -5.334 5 HA3 GLY 1 2HA GLY 1 7.103 -18.258 -6.475 6 H SER 2 H SER 2 4.972 -19.021 -4.523 7 HA SER 2 HA SER 2 2.685 -20.052 -5.898 8 HB2 SER 2 1HB SER 2 2.810 -18.320 -3.403 9 HB3 SER 2 2HB SER 2 1.429 -19.299 -3.939 10 HG SER 2 HG SER 2 2.711 -20.385 -2.364 11 H SER 3 H SER 3 0.815 -19.067 -6.669 12 HA SER 3 HA SER 3 1.160 -16.420 -7.885 13 HB2 SER 3 1HB SER 3 -0.898 -17.049 -9.116 14 HB3 SER 3 2HB SER 3 0.402 -18.242 -9.259 15 HG SER 3 HG SER 3 -1.642 -19.217 -8.817 16 H GLY 4 H GLY 4 -0.193 -17.421 -4.954 17 HA2 GLY 4 1HA GLY 4 -2.547 -15.773 -4.801 18 HA3 GLY 4 2HA GLY 4 -1.702 -16.524 -3.456 19 H SER 5 H SER 5 -2.799 -14.228 -2.922 20 HA SER 5 HA SER 5 -0.565 -12.353 -2.438 21 HB2 SER 5 1HB SER 5 -1.751 -11.635 -4.557 22 HB3 SER 5 2HB SER 5 -3.210 -11.382 -3.580 23 HG SER 5 HG SER 5 -1.944 -9.465 -3.827 24 H SER 6 H SER 6 -1.395 -10.547 -0.941 25 HA SER 6 HA SER 6 -2.225 -11.858 1.475 26 HB2 SER 6 1HB SER 6 -1.610 -8.922 1.014 27 HB3 SER 6 2HB SER 6 -1.636 -9.775 2.571 28 HG SER 6 HG SER 6 0.489 -9.624 1.795 29 H GLY 7 H GLY 7 -4.460 -11.769 -0.348 30 HA2 GLY 7 1HA GLY 7 -6.744 -11.618 -0.178 31 HA3 GLY 7 2HA GLY 7 -6.545 -10.977 1.453 32 H LYS 8 H LYS 8 -4.905 -8.945 -0.674 33 HA LYS 8 HA LYS 8 -7.229 -7.179 -1.223 34 HB2 LYS 8 1HB LYS 8 -4.744 -6.451 0.366 35 HB3 LYS 8 2HB LYS 8 -5.755 -5.247 -0.406 36 HG2 LYS 8 1HG LYS 8 -6.707 -5.137 1.618 37 HG3 LYS 8 2HG LYS 8 -7.698 -6.453 0.997 38 HD2 LYS 8 1HD LYS 8 -6.237 -8.088 2.168 39 HD3 LYS 8 2HD LYS 8 -5.174 -6.771 2.699 40 HE2 LYS 8 1HE LYS 8 -7.054 -5.760 3.952 41 HE3 LYS 8 2HE LYS 8 -8.125 -7.061 3.410 42 HZ1 LYS 8 3HZ LYS 8 -6.685 -8.642 4.592 43 HZ2 LYS 8 1HZ LYS 8 -7.247 -7.513 5.628 44 HZ3 LYS 8 2HZ LYS 8 -5.706 -7.435 5.100 45 HA PRO 9 HA PRO 9 -5.246 -6.547 -5.093 46 HB2 PRO 9 1HB PRO 9 -6.231 -4.135 -5.909 47 HB3 PRO 9 2HB PRO 9 -7.206 -5.632 -5.800 48 HG2 PRO 9 1HG PRO 9 -6.930 -3.448 -3.710 49 HG3 PRO 9 2HG PRO 9 -8.447 -4.137 -4.385 50 HD2 PRO 9 1HD PRO 9 -7.430 -5.021 -2.044 51 HD3 PRO 9 2HD PRO 9 -8.079 -6.196 -3.236 52 H PHE 10 H PHE 10 -4.915 -3.721 -2.859 53 HA PHE 10 HA PHE 10 -2.397 -2.920 -4.270 54 HB2 PHE 10 1HB PHE 10 -4.188 -1.236 -2.530 55 HB3 PHE 10 2HB PHE 10 -2.844 -0.709 -3.509 56 HD1 PHE 10 1HD PHE 10 -2.900 -1.275 -6.058 57 HD2 PHE 10 2HD PHE 10 -6.373 -1.118 -3.516 58 HE1 PHE 10 1HE PHE 10 -4.340 -1.118 -8.049 59 HE2 PHE 10 2HE PHE 10 -7.832 -0.950 -5.524 60 HZ PHE 10 HZ PHE 10 -6.822 -0.948 -7.799 61 H LYS 11 H LYS 11 -1.084 -4.225 -3.429 62 HA LYS 11 HA LYS 11 -0.337 -4.175 -0.559 63 HB2 LYS 11 1HB LYS 11 -0.387 -6.345 -1.549 64 HB3 LYS 11 2HB LYS 11 0.477 -5.803 -2.978 65 HG2 LYS 11 1HG LYS 11 1.891 -7.197 -1.648 66 HG3 LYS 11 2HG LYS 11 2.551 -5.573 -1.730 67 HD2 LYS 11 1HD LYS 11 1.869 -5.177 0.616 68 HD3 LYS 11 2HD LYS 11 0.979 -6.715 0.625 69 HE2 LYS 11 1HE LYS 11 3.061 -7.211 1.672 70 HE3 LYS 11 2HE LYS 11 3.157 -7.887 0.050 71 HZ1 LYS 11 3HZ LYS 11 4.378 -5.348 0.986 72 HZ2 LYS 11 1HZ LYS 11 4.353 -5.757 -0.577 73 HZ3 LYS 11 2HZ LYS 11 5.184 -6.691 0.495 74 H CYS 12 H CYS 12 1.020 -2.856 0.172 75 HA CYS 12 HA CYS 12 2.542 -0.838 -1.044 76 HB2 CYS 12 1HB CYS 12 1.887 -0.882 1.269 77 HB3 CYS 12 2HB CYS 12 2.799 -2.366 1.557 78 H SER 13 H SER 13 4.666 -0.558 -1.537 79 HA SER 13 HA SER 13 6.116 -2.883 -2.613 80 HB2 SER 13 1HB SER 13 6.802 0.079 -2.682 81 HB3 SER 13 2HB SER 13 7.601 -1.206 -3.605 82 HG SER 13 HG SER 13 6.020 -0.127 -4.860 83 H LEU 14 H LEU 14 6.097 -1.332 0.378 84 HA LEU 14 HA LEU 14 9.020 -1.808 0.922 85 HB2 LEU 14 1HB LEU 14 7.113 0.167 2.217 86 HB3 LEU 14 2HB LEU 14 8.842 0.060 2.485 87 HG LEU 14 HG LEU 14 7.576 0.792 -0.192 88 HD11 LEU 14 1HD1 LEU 14 8.759 2.564 1.970 89 HD12 LEU 14 2HD1 LEU 14 7.069 2.494 1.417 90 HD13 LEU 14 3HD1 LEU 14 8.320 3.097 0.326 91 HD21 LEU 14 3HD2 LEU 14 9.836 1.584 -0.770 92 HD22 LEU 14 1HD2 LEU 14 9.835 -0.150 -0.426 93 HD23 LEU 14 2HD2 LEU 14 10.448 0.995 0.793 94 H CYS 15 H CYS 15 5.767 -2.005 2.256 95 HA CYS 15 HA CYS 15 6.712 -3.924 4.342 96 HB2 CYS 15 1HB CYS 15 5.541 -2.861 6.054 97 HB3 CYS 15 2HB CYS 15 6.391 -1.590 5.216 98 H GLU 16 H GLU 16 4.581 -4.745 5.521 99 HA GLU 16 HA GLU 16 3.224 -6.320 3.434 100 HB2 GLU 16 1HB GLU 16 4.389 -7.199 5.600 101 HB3 GLU 16 2HB GLU 16 2.905 -6.716 6.422 102 HG2 GLU 16 1HG GLU 16 1.615 -8.274 4.967 103 HG3 GLU 16 2HG GLU 16 3.077 -8.634 4.047 104 H TYR 17 H TYR 17 2.512 -3.379 4.382 105 HA TYR 17 HA TYR 17 -0.290 -3.493 5.048 106 HB2 TYR 17 1HB TYR 17 1.116 -1.518 5.317 107 HB3 TYR 17 2HB TYR 17 1.432 -1.444 3.607 108 HD1 TYR 17 1HD TYR 17 -0.313 -0.646 2.038 109 HD2 TYR 17 2HD TYR 17 -1.032 -0.765 6.282 110 HE1 TYR 17 1HE TYR 17 -2.259 0.915 1.751 111 HE2 TYR 17 2HE TYR 17 -2.972 0.771 5.992 112 HH TYR 17 HH TYR 17 -4.254 1.954 4.523 113 H ALA 18 H ALA 18 -2.082 -3.726 3.859 114 HA ALA 18 HA ALA 18 -1.987 -3.156 1.044 115 HB1 ALA 18 1HB ALA 18 -1.373 -5.581 1.107 116 HB2 ALA 18 2HB ALA 18 -2.932 -5.921 1.885 117 HB3 ALA 18 3HB ALA 18 -2.879 -5.253 0.224 118 H THR 19 H THR 19 -3.968 -2.731 0.077 119 HA THR 19 HA THR 19 -6.385 -2.573 1.812 120 HB THR 19 HB THR 19 -5.118 -0.484 2.169 121 HG1 THR 19 1HG THR 19 -7.356 -0.390 2.168 122 HG21 THR 19 3HG2 THR 19 -4.808 1.120 0.427 123 HG22 THR 19 1HG2 THR 19 -5.352 -0.033 -0.811 124 HG23 THR 19 2HG2 THR 19 -3.861 -0.330 0.111 125 H ARG 20 H ARG 20 -8.309 -1.897 0.672 126 HA ARG 20 HA ARG 20 -8.554 -3.142 -2.001 127 HB2 ARG 20 1HB ARG 20 -10.505 -2.358 0.177 128 HB3 ARG 20 2HB ARG 20 -11.077 -2.781 -1.432 129 HG2 ARG 20 1HG ARG 20 -9.224 -4.649 0.088 130 HG3 ARG 20 2HG ARG 20 -10.971 -4.650 0.366 131 HD2 ARG 20 1HD ARG 20 -11.449 -5.194 -1.922 132 HD3 ARG 20 2HD ARG 20 -9.764 -4.997 -2.409 133 HE ARG 20 HE ARG 20 -9.697 -6.966 -0.431 134 HH11 ARG 20 2HH1 ARG 20 -11.435 -6.720 -3.468 135 HH12 ARG 20 1HH1 ARG 20 -11.375 -8.438 -3.738 136 HH21 ARG 20 2HH2 ARG 20 -9.515 -9.116 -0.924 137 HH22 ARG 20 1HH2 ARG 20 -10.373 -9.763 -2.301 138 H SER 21 H SER 21 -7.908 -0.032 -1.025 139 HA SER 21 HA SER 21 -8.978 0.988 -3.629 140 HB2 SER 21 1HB SER 21 -10.388 1.818 -1.768 141 HB3 SER 21 2HB SER 21 -8.949 2.579 -1.049 142 HG SER 21 HG SER 21 -10.080 4.049 -2.401 143 H LYS 22 H LYS 22 -7.561 1.920 -4.905 144 HA LYS 22 HA LYS 22 -4.769 1.905 -4.360 145 HB2 LYS 22 1HB LYS 22 -5.914 1.716 -6.591 146 HB3 LYS 22 2HB LYS 22 -6.252 3.444 -6.535 147 HG2 LYS 22 1HG LYS 22 -3.766 3.865 -6.380 148 HG3 LYS 22 2HG LYS 22 -3.493 2.125 -6.537 149 HD2 LYS 22 1HD LYS 22 -4.881 3.900 -8.599 150 HD3 LYS 22 2HD LYS 22 -3.184 3.406 -8.655 151 HE2 LYS 22 1HE LYS 22 -3.866 1.024 -8.762 152 HE3 LYS 22 2HE LYS 22 -5.569 1.506 -8.733 153 HZ1 LYS 22 3HZ LYS 22 -5.197 2.696 -10.830 154 HZ2 LYS 22 1HZ LYS 22 -4.800 1.124 -11.005 155 HZ3 LYS 22 2HZ LYS 22 -3.626 2.246 -10.860 156 H SER 23 H SER 23 -7.124 4.556 -4.083 157 HA SER 23 HA SER 23 -5.176 6.650 -3.667 158 HB2 SER 23 1HB SER 23 -7.098 7.977 -2.908 159 HB3 SER 23 2HB SER 23 -7.419 7.153 -4.445 160 HG SER 23 HG SER 23 -9.172 6.945 -2.978 161 H ASN 24 H ASN 24 -6.593 4.247 -1.512 162 HA ASN 24 HA ASN 24 -5.684 5.595 0.925 163 HB2 ASN 24 1HB ASN 24 -7.687 4.067 0.786 164 HB3 ASN 24 2HB ASN 24 -6.586 2.716 0.530 165 HD21 ASN 24 1HD2 ASN 24 -7.177 1.671 2.428 166 HD22 ASN 24 2HD2 ASN 24 -6.854 2.330 4.032 167 H LEU 25 H LEU 25 -4.502 2.755 -1.034 168 HA LEU 25 HA LEU 25 -2.081 2.494 0.370 169 HB2 LEU 25 1HB LEU 25 -2.744 0.841 -1.334 170 HB3 LEU 25 2HB LEU 25 -2.540 2.036 -2.609 171 HG LEU 25 HG LEU 25 -0.176 2.181 -2.171 172 HD11 LEU 25 1HD1 LEU 25 1.014 0.719 -0.575 173 HD12 LEU 25 2HD1 LEU 25 -0.544 0.114 0.020 174 HD13 LEU 25 3HD1 LEU 25 -0.067 1.815 0.258 175 HD21 LEU 25 3HD2 LEU 25 -0.891 0.392 -3.694 176 HD22 LEU 25 1HD2 LEU 25 -0.891 -0.739 -2.311 177 HD23 LEU 25 2HD2 LEU 25 0.619 0.007 -2.845 178 H LYS 26 H LYS 26 -2.702 4.595 -2.439 179 HA LYS 26 HA LYS 26 -0.236 5.907 -2.741 180 HB2 LYS 26 1HB LYS 26 -2.297 6.259 -4.115 181 HB3 LYS 26 2HB LYS 26 -3.025 7.118 -2.765 182 HG2 LYS 26 1HG LYS 26 -0.906 8.731 -3.017 183 HG3 LYS 26 2HG LYS 26 -0.799 7.976 -4.608 184 HD2 LYS 26 1HD LYS 26 -2.117 9.904 -4.935 185 HD3 LYS 26 2HD LYS 26 -3.299 8.575 -4.866 186 HE2 LYS 26 1HE LYS 26 -3.802 9.121 -2.510 187 HE3 LYS 26 2HE LYS 26 -2.550 10.370 -2.514 188 HZ1 LYS 26 3HZ LYS 26 -4.989 10.428 -4.214 189 HZ2 LYS 26 1HZ LYS 26 -3.832 11.580 -4.184 190 HZ3 LYS 26 2HZ LYS 26 -4.758 11.322 -2.868 191 H ALA 27 H ALA 27 -2.717 6.585 -0.327 192 HA ALA 27 HA ALA 27 -1.351 8.827 0.923 193 HB1 ALA 27 1HB ALA 27 -3.552 7.036 2.039 194 HB2 ALA 27 2HB ALA 27 -3.057 8.624 2.653 195 HB3 ALA 27 3HB ALA 27 -3.804 8.491 1.050 196 H HIS 28 H HIS 28 -1.578 5.321 1.745 197 HA HIS 28 HA HIS 28 0.122 5.343 4.024 198 HB2 HIS 28 1HB HIS 28 -1.302 3.510 3.586 199 HB3 HIS 28 2HB HIS 28 -0.634 3.250 1.988 200 HD1 HIS 28 1HD HIS 28 0.203 2.551 5.644 201 HD2 HIS 28 2HD HIS 28 1.732 2.062 1.754 202 HE1 HIS 28 1HE HIS 28 2.185 1.011 5.890 203 H MET 29 H MET 29 0.971 5.076 0.538 204 HA MET 29 HA MET 29 3.781 4.672 0.973 205 HB2 MET 29 1HB MET 29 2.342 5.844 -1.440 206 HB3 MET 29 2HB MET 29 4.017 5.291 -1.404 207 HG2 MET 29 1HG MET 29 1.515 3.612 -1.086 208 HG3 MET 29 2HG MET 29 2.665 3.546 -2.382 209 HE1 MET 29 3HE MET 29 5.000 2.503 -2.254 210 HE2 MET 29 1HE MET 29 5.486 3.487 -0.846 211 HE3 MET 29 2HE MET 29 5.684 1.716 -0.813 212 H ASN 30 H ASN 30 1.865 7.591 1.096 213 HA ASN 30 HA ASN 30 4.218 9.368 1.155 214 HB2 ASN 30 1HB ASN 30 1.234 9.770 1.530 215 HB3 ASN 30 2HB ASN 30 2.394 11.008 2.004 216 HD21 ASN 30 1HD2 ASN 30 1.258 9.104 -0.846 217 HD22 ASN 30 2HD2 ASN 30 1.847 10.303 -1.990 218 H ARG 31 H ARG 31 2.191 7.673 3.569 219 HA ARG 31 HA ARG 31 3.408 8.852 5.913 220 HB2 ARG 31 1HB ARG 31 2.296 6.037 5.640 221 HB3 ARG 31 2HB ARG 31 2.557 6.912 7.139 222 HG2 ARG 31 1HG ARG 31 0.835 8.552 6.612 223 HG3 ARG 31 2HG ARG 31 0.606 7.853 5.013 224 HD2 ARG 31 1HD ARG 31 0.016 5.655 6.221 225 HD3 ARG 31 2HD ARG 31 -0.142 6.642 7.679 226 HE ARG 31 HE ARG 31 -1.725 8.078 6.147 227 HH11 ARG 31 1HH1 ARG 31 -1.723 4.577 6.228 228 HH12 ARG 31 2HH1 ARG 31 -3.261 4.476 5.414 229 HH21 ARG 31 2HH2 ARG 31 -3.739 7.856 5.231 230 HH22 ARG 31 1HH2 ARG 31 -4.375 6.270 4.911 231 H HIS 32 H HIS 32 4.628 6.408 3.708 232 HA HIS 32 HA HIS 32 6.811 5.616 5.456 233 HB2 HIS 32 1HB HIS 32 6.191 5.238 2.519 234 HB3 HIS 32 2HB HIS 32 7.793 4.879 3.129 235 HD1 HIS 32 1HD HIS 32 7.851 3.021 5.246 236 HD2 HIS 32 2HD HIS 32 4.579 3.193 2.620 237 HE1 HIS 32 1HE HIS 32 6.747 0.742 5.377 238 H SER 33 H SER 33 6.237 8.425 3.494 239 HA SER 33 HA SER 33 9.113 9.065 3.150 240 HB2 SER 33 1HB SER 33 7.463 9.150 1.259 241 HB3 SER 33 2HB SER 33 6.666 10.507 2.080 242 HG SER 33 HG SER 33 8.234 11.177 0.514 243 H THR 34 H THR 34 6.257 10.245 4.938 244 HA THR 34 HA THR 34 7.373 12.774 5.705 245 HB THR 34 HB THR 34 5.581 12.739 7.477 246 HG1 THR 34 1HG THR 34 4.077 11.103 7.367 247 HG21 THR 34 3HG2 THR 34 3.723 12.944 5.887 248 HG22 THR 34 1HG2 THR 34 4.674 12.123 4.630 249 HG23 THR 34 2HG2 THR 34 5.183 13.711 5.243 250 H GLU 35 H GLU 35 8.156 13.536 7.671 251 HA GLU 35 HA GLU 35 9.815 11.676 9.218 252 HB2 GLU 35 1HB GLU 35 10.616 13.912 8.524 253 HB3 GLU 35 2HB GLU 35 9.378 14.668 9.537 254 HG2 GLU 35 1HG GLU 35 10.386 13.648 11.552 255 HG3 GLU 35 2HG GLU 35 11.559 12.789 10.551 256 H LYS 36 H LYS 36 9.442 10.938 11.242 257 HA LYS 36 HA LYS 36 6.879 11.577 12.648 258 HB2 LYS 36 1HB LYS 36 7.973 8.861 11.830 259 HB3 LYS 36 2HB LYS 36 6.616 9.091 12.933 260 HG2 LYS 36 1HG LYS 36 5.250 10.108 11.228 261 HG3 LYS 36 2HG LYS 36 6.583 10.181 10.079 262 HD2 LYS 36 1HD LYS 36 5.363 7.605 11.122 263 HD3 LYS 36 2HD LYS 36 5.005 8.380 9.566 264 HE2 LYS 36 1HE LYS 36 7.468 8.240 9.002 265 HE3 LYS 36 2HE LYS 36 7.702 7.277 10.470 266 HZ1 LYS 36 3HZ LYS 36 6.074 5.673 9.531 267 HZ2 LYS 36 1HZ LYS 36 7.395 5.834 8.578 268 HZ3 LYS 36 2HZ LYS 36 5.998 6.571 8.152 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -8.162 -6.997 12.775 2 H2 GLY 1 2H GLY 1 -6.568 -6.880 12.421 3 H3 GLY 1 3H GLY 1 -7.263 -8.353 12.607 4 HA2 GLY 1 1HA GLY 1 -7.867 -6.431 10.452 5 HA3 GLY 1 2HA GLY 1 -6.899 -7.903 10.270 6 H SER 2 H SER 2 -8.638 -8.171 8.530 7 HA SER 2 HA SER 2 -11.322 -8.936 9.349 8 HB2 SER 2 1HB SER 2 -11.552 -9.564 6.961 9 HB3 SER 2 2HB SER 2 -10.946 -7.914 7.185 10 HG SER 2 HG SER 2 -9.844 -9.382 5.603 11 H SER 3 H SER 3 -8.358 -10.672 8.689 12 HA SER 3 HA SER 3 -7.618 -12.769 8.823 13 HB2 SER 3 1HB SER 3 -9.970 -13.275 10.658 14 HB3 SER 3 2HB SER 3 -8.544 -14.311 10.470 15 HG SER 3 HG SER 3 -8.346 -12.868 12.252 16 H GLY 4 H GLY 4 -11.043 -12.745 7.886 17 HA2 GLY 4 1HA GLY 4 -10.966 -15.381 6.639 18 HA3 GLY 4 2HA GLY 4 -12.257 -14.186 6.549 19 H SER 5 H SER 5 -9.999 -12.222 5.516 20 HA SER 5 HA SER 5 -10.631 -12.513 2.732 21 HB2 SER 5 1HB SER 5 -8.492 -10.790 4.032 22 HB3 SER 5 2HB SER 5 -9.145 -10.596 2.398 23 HG SER 5 HG SER 5 -11.184 -10.145 3.316 24 H SER 6 H SER 6 -9.552 -13.390 1.048 25 HA SER 6 HA SER 6 -7.253 -15.123 1.487 26 HB2 SER 6 1HB SER 6 -9.127 -15.583 -0.100 27 HB3 SER 6 2HB SER 6 -8.548 -14.254 -1.124 28 HG SER 6 HG SER 6 -7.755 -16.331 -1.772 29 H GLY 7 H GLY 7 -7.699 -11.860 0.188 30 HA2 GLY 7 1HA GLY 7 -5.058 -10.986 0.653 31 HA3 GLY 7 2HA GLY 7 -5.161 -11.457 -1.048 32 H LYS 8 H LYS 8 -4.547 -9.018 -0.888 33 HA LYS 8 HA LYS 8 -6.995 -7.360 -1.350 34 HB2 LYS 8 1HB LYS 8 -4.451 -6.671 0.135 35 HB3 LYS 8 2HB LYS 8 -5.410 -5.420 -0.631 36 HG2 LYS 8 1HG LYS 8 -6.117 -5.309 1.523 37 HG3 LYS 8 2HG LYS 8 -7.400 -6.246 0.774 38 HD2 LYS 8 1HD LYS 8 -6.645 -8.269 1.805 39 HD3 LYS 8 2HD LYS 8 -5.070 -7.590 2.235 40 HE2 LYS 8 1HE LYS 8 -7.698 -6.514 3.342 41 HE3 LYS 8 2HE LYS 8 -6.835 -7.856 4.097 42 HZ1 LYS 8 3HZ LYS 8 -5.638 -5.152 3.696 43 HZ2 LYS 8 1HZ LYS 8 -4.932 -6.424 4.444 44 HZ3 LYS 8 2HZ LYS 8 -6.243 -5.719 5.102 45 HA PRO 9 HA PRO 9 -5.164 -6.509 -5.288 46 HB2 PRO 9 1HB PRO 9 -6.263 -4.108 -5.980 47 HB3 PRO 9 2HB PRO 9 -7.197 -5.634 -5.885 48 HG2 PRO 9 1HG PRO 9 -6.882 -3.527 -3.720 49 HG3 PRO 9 2HG PRO 9 -8.415 -4.206 -4.373 50 HD2 PRO 9 1HD PRO 9 -7.304 -5.159 -2.106 51 HD3 PRO 9 2HD PRO 9 -7.988 -6.301 -3.307 52 H PHE 10 H PHE 10 -4.872 -3.776 -2.919 53 HA PHE 10 HA PHE 10 -2.339 -2.919 -4.274 54 HB2 PHE 10 1HB PHE 10 -4.169 -1.236 -2.574 55 HB3 PHE 10 2HB PHE 10 -2.797 -0.718 -3.513 56 HD1 PHE 10 1HD PHE 10 -2.778 -1.087 -6.048 57 HD2 PHE 10 2HD PHE 10 -6.341 -1.255 -3.636 58 HE1 PHE 10 1HE PHE 10 -4.153 -0.868 -8.082 59 HE2 PHE 10 2HE PHE 10 -7.738 -1.063 -5.684 60 HZ PHE 10 HZ PHE 10 -6.648 -0.877 -7.918 61 H LYS 11 H LYS 11 -1.060 -4.242 -3.388 62 HA LYS 11 HA LYS 11 -0.418 -4.207 -0.489 63 HB2 LYS 11 1HB LYS 11 -0.407 -6.370 -1.517 64 HB3 LYS 11 2HB LYS 11 0.521 -5.799 -2.894 65 HG2 LYS 11 1HG LYS 11 1.877 -7.199 -1.493 66 HG3 LYS 11 2HG LYS 11 2.528 -5.568 -1.544 67 HD2 LYS 11 1HD LYS 11 1.787 -5.175 0.755 68 HD3 LYS 11 2HD LYS 11 0.813 -6.662 0.732 69 HE2 LYS 11 1HE LYS 11 2.820 -7.197 1.915 70 HE3 LYS 11 2HE LYS 11 2.910 -7.989 0.346 71 HZ1 LYS 11 3HZ LYS 11 4.258 -5.437 1.070 72 HZ2 LYS 11 1HZ LYS 11 4.327 -6.109 -0.407 73 HZ3 LYS 11 2HZ LYS 11 5.009 -6.884 0.868 74 H CYS 12 H CYS 12 0.889 -2.835 0.290 75 HA CYS 12 HA CYS 12 2.463 -0.833 -0.922 76 HB2 CYS 12 1HB CYS 12 1.708 -0.930 1.416 77 HB3 CYS 12 2HB CYS 12 2.752 -2.325 1.712 78 H SER 13 H SER 13 4.478 -0.757 -1.776 79 HA SER 13 HA SER 13 5.874 -3.253 -2.418 80 HB2 SER 13 1HB SER 13 7.349 -1.773 -3.745 81 HB3 SER 13 2HB SER 13 5.633 -1.593 -4.143 82 HG SER 13 HG SER 13 6.702 0.434 -3.916 83 H LEU 14 H LEU 14 5.895 -1.349 0.276 84 HA LEU 14 HA LEU 14 8.831 -1.595 0.832 85 HB2 LEU 14 1HB LEU 14 6.784 0.300 2.026 86 HB3 LEU 14 2HB LEU 14 8.518 0.376 2.220 87 HG LEU 14 HG LEU 14 7.111 0.748 -0.475 88 HD11 LEU 14 1HD1 LEU 14 7.550 3.123 -0.243 89 HD12 LEU 14 2HD1 LEU 14 8.197 2.852 1.399 90 HD13 LEU 14 3HD1 LEU 14 6.482 2.528 1.025 91 HD21 LEU 14 3HD2 LEU 14 9.275 1.691 -1.192 92 HD22 LEU 14 1HD2 LEU 14 9.451 0.005 -0.690 93 HD23 LEU 14 2HD2 LEU 14 9.976 1.311 0.399 94 H CYS 15 H CYS 15 5.605 -1.963 2.222 95 HA CYS 15 HA CYS 15 6.687 -3.782 4.317 96 HB2 CYS 15 1HB CYS 15 5.609 -2.705 6.053 97 HB3 CYS 15 2HB CYS 15 6.314 -1.411 5.129 98 H GLU 16 H GLU 16 4.541 -4.570 5.593 99 HA GLU 16 HA GLU 16 3.236 -6.287 3.581 100 HB2 GLU 16 1HB GLU 16 4.419 -7.047 5.771 101 HB3 GLU 16 2HB GLU 16 2.942 -6.534 6.591 102 HG2 GLU 16 1HG GLU 16 1.643 -8.183 5.263 103 HG3 GLU 16 2HG GLU 16 3.079 -8.568 4.312 104 H TYR 17 H TYR 17 2.451 -3.327 4.524 105 HA TYR 17 HA TYR 17 -0.356 -3.505 5.153 106 HB2 TYR 17 1HB TYR 17 1.030 -1.519 5.439 107 HB3 TYR 17 2HB TYR 17 1.309 -1.408 3.722 108 HD1 TYR 17 1HD TYR 17 -0.472 -0.599 2.201 109 HD2 TYR 17 2HD TYR 17 -1.107 -0.824 6.454 110 HE1 TYR 17 1HE TYR 17 -2.397 0.994 1.985 111 HE2 TYR 17 2HE TYR 17 -3.043 0.735 6.238 112 HH TYR 17 HH TYR 17 -4.016 2.162 3.117 113 H ALA 18 H ALA 18 -2.170 -3.711 3.931 114 HA ALA 18 HA ALA 18 -2.039 -3.154 1.113 115 HB1 ALA 18 1HB ALA 18 -2.956 -5.947 1.886 116 HB2 ALA 18 2HB ALA 18 -2.781 -5.254 0.242 117 HB3 ALA 18 3HB ALA 18 -1.346 -5.581 1.234 118 H THR 19 H THR 19 -3.973 -2.749 0.115 119 HA THR 19 HA THR 19 -6.452 -2.637 1.774 120 HB THR 19 HB THR 19 -5.208 -0.539 2.158 121 HG1 THR 19 1HG THR 19 -7.463 -0.445 2.036 122 HG21 THR 19 3HG2 THR 19 -3.860 -0.392 0.173 123 HG22 THR 19 1HG2 THR 19 -4.844 1.050 0.399 124 HG23 THR 19 2HG2 THR 19 -5.306 -0.141 -0.833 125 H ARG 20 H ARG 20 -8.340 -1.930 0.563 126 HA ARG 20 HA ARG 20 -8.553 -3.133 -2.126 127 HB2 ARG 20 1HB ARG 20 -10.554 -2.067 -0.106 128 HB3 ARG 20 2HB ARG 20 -11.037 -2.568 -1.718 129 HG2 ARG 20 1HG ARG 20 -9.556 -4.421 0.196 130 HG3 ARG 20 2HG ARG 20 -11.310 -4.295 0.143 131 HD2 ARG 20 1HD ARG 20 -9.608 -5.042 -2.272 132 HD3 ARG 20 2HD ARG 20 -10.320 -6.219 -1.188 133 HE ARG 20 HE ARG 20 -11.679 -4.576 -3.215 134 HH11 ARG 20 2HH1 ARG 20 -12.251 -6.641 -0.433 135 HH12 ARG 20 1HH1 ARG 20 -13.907 -6.936 -0.890 136 HH21 ARG 20 2HH2 ARG 20 -13.792 -4.997 -3.725 137 HH22 ARG 20 1HH2 ARG 20 -14.747 -6.028 -2.702 138 H SER 21 H SER 21 -7.885 -0.003 -0.986 139 HA SER 21 HA SER 21 -8.873 1.200 -3.559 140 HB2 SER 21 1HB SER 21 -10.144 2.128 -1.784 141 HB3 SER 21 2HB SER 21 -8.700 2.409 -0.796 142 HG SER 21 HG SER 21 -9.555 4.277 -2.005 143 H LYS 22 H LYS 22 -7.403 1.928 -4.913 144 HA LYS 22 HA LYS 22 -4.596 1.969 -4.366 145 HB2 LYS 22 1HB LYS 22 -4.317 2.923 -6.550 146 HB3 LYS 22 2HB LYS 22 -5.521 1.648 -6.602 147 HG2 LYS 22 1HG LYS 22 -7.344 3.345 -6.682 148 HG3 LYS 22 2HG LYS 22 -6.141 4.632 -6.572 149 HD2 LYS 22 1HD LYS 22 -6.777 4.437 -8.875 150 HD3 LYS 22 2HD LYS 22 -5.115 3.899 -8.691 151 HE2 LYS 22 1HE LYS 22 -6.131 2.393 -10.207 152 HE3 LYS 22 2HE LYS 22 -5.937 1.505 -8.698 153 HZ1 LYS 22 3HZ LYS 22 -8.462 2.781 -9.636 154 HZ2 LYS 22 1HZ LYS 22 -8.316 1.929 -8.249 155 HZ3 LYS 22 2HZ LYS 22 -8.148 1.185 -9.691 156 H SER 23 H SER 23 -7.017 4.529 -4.079 157 HA SER 23 HA SER 23 -5.036 6.616 -3.581 158 HB2 SER 23 1HB SER 23 -8.041 6.506 -3.426 159 HB3 SER 23 2HB SER 23 -7.142 7.839 -2.678 160 HG SER 23 HG SER 23 -7.165 7.062 -5.406 161 H ASN 24 H ASN 24 -6.633 4.214 -1.552 162 HA ASN 24 HA ASN 24 -5.815 5.540 0.932 163 HB2 ASN 24 1HB ASN 24 -7.802 4.008 0.733 164 HB3 ASN 24 2HB ASN 24 -6.680 2.662 0.485 165 HD21 ASN 24 1HD2 ASN 24 -6.890 1.516 2.351 166 HD22 ASN 24 2HD2 ASN 24 -6.629 2.197 3.959 167 H LEU 25 H LEU 25 -4.527 2.730 -1.011 168 HA LEU 25 HA LEU 25 -2.158 2.494 0.490 169 HB2 LEU 25 1HB LEU 25 -2.706 0.836 -1.199 170 HB3 LEU 25 2HB LEU 25 -2.549 2.019 -2.495 171 HG LEU 25 HG LEU 25 -0.181 2.208 -2.048 172 HD11 LEU 25 1HD1 LEU 25 -0.562 0.153 0.157 173 HD12 LEU 25 2HD1 LEU 25 -0.133 1.862 0.409 174 HD13 LEU 25 3HD1 LEU 25 0.999 0.793 -0.400 175 HD21 LEU 25 3HD2 LEU 25 -0.864 0.426 -3.564 176 HD22 LEU 25 1HD2 LEU 25 -0.924 -0.708 -2.186 177 HD23 LEU 25 2HD2 LEU 25 0.617 0.012 -2.685 178 H LYS 26 H LYS 26 -2.705 4.585 -2.317 179 HA LYS 26 HA LYS 26 -0.249 5.941 -2.555 180 HB2 LYS 26 1HB LYS 26 -2.183 6.272 -4.019 181 HB3 LYS 26 2HB LYS 26 -3.105 6.944 -2.679 182 HG2 LYS 26 1HG LYS 26 -1.435 8.907 -2.657 183 HG3 LYS 26 2HG LYS 26 -0.813 8.228 -4.173 184 HD2 LYS 26 1HD LYS 26 -2.436 9.795 -4.871 185 HD3 LYS 26 2HD LYS 26 -3.279 8.236 -4.965 186 HE2 LYS 26 1HE LYS 26 -4.224 8.738 -2.637 187 HE3 LYS 26 2HE LYS 26 -3.510 10.346 -2.778 188 HZ1 LYS 26 3HZ LYS 26 -4.876 10.634 -4.832 189 HZ2 LYS 26 1HZ LYS 26 -5.790 10.431 -3.498 190 HZ3 LYS 26 2HZ LYS 26 -5.616 9.195 -4.545 191 H ALA 27 H ALA 27 -2.834 6.591 -0.238 192 HA ALA 27 HA ALA 27 -1.550 8.849 1.057 193 HB1 ALA 27 1HB ALA 27 -3.785 7.030 2.054 194 HB2 ALA 27 2HB ALA 27 -3.345 8.619 2.709 195 HB3 ALA 27 3HB ALA 27 -3.997 8.492 1.062 196 H HIS 28 H HIS 28 -1.635 5.341 1.765 197 HA HIS 28 HA HIS 28 -0.057 5.428 4.175 198 HB2 HIS 28 1HB HIS 28 -1.450 3.578 3.778 199 HB3 HIS 28 2HB HIS 28 -0.777 3.284 2.184 200 HD1 HIS 28 1HD HIS 28 0.045 2.683 5.862 201 HD2 HIS 28 2HD HIS 28 1.572 2.031 2.000 202 HE1 HIS 28 1HE HIS 28 1.995 1.089 6.150 203 H MET 29 H MET 29 0.826 5.080 0.715 204 HA MET 29 HA MET 29 3.618 4.602 1.083 205 HB2 MET 29 1HB MET 29 2.226 5.976 -1.240 206 HB3 MET 29 2HB MET 29 3.834 5.271 -1.271 207 HG2 MET 29 1HG MET 29 1.814 3.282 -0.411 208 HG3 MET 29 2HG MET 29 1.390 4.064 -1.893 209 HE1 MET 29 3HE MET 29 5.002 3.128 -0.652 210 HE2 MET 29 1HE MET 29 3.850 1.899 -0.083 211 HE3 MET 29 2HE MET 29 5.081 1.468 -1.295 212 H ASN 30 H ASN 30 1.771 7.639 1.013 213 HA ASN 30 HA ASN 30 4.077 9.384 1.043 214 HB2 ASN 30 1HB ASN 30 1.127 9.731 1.613 215 HB3 ASN 30 2HB ASN 30 2.273 10.991 2.060 216 HD21 ASN 30 1HD2 ASN 30 1.081 9.129 -0.788 217 HD22 ASN 30 2HD2 ASN 30 1.594 10.372 -1.923 218 H ARG 31 H ARG 31 2.610 7.459 3.600 219 HA ARG 31 HA ARG 31 3.874 8.921 5.809 220 HB2 ARG 31 1HB ARG 31 2.928 6.030 5.797 221 HB3 ARG 31 2HB ARG 31 3.247 7.048 7.195 222 HG2 ARG 31 1HG ARG 31 1.370 8.551 6.567 223 HG3 ARG 31 2HG ARG 31 1.021 7.516 5.170 224 HD2 ARG 31 1HD ARG 31 0.655 5.590 6.706 225 HD3 ARG 31 2HD ARG 31 0.895 6.683 8.087 226 HE ARG 31 HE ARG 31 -1.105 7.779 6.363 227 HH11 ARG 31 2HH1 ARG 31 -0.785 5.133 8.641 228 HH12 ARG 31 1HH1 ARG 31 -2.494 5.096 8.977 229 HH21 ARG 31 2HH2 ARG 31 -3.271 7.686 6.852 230 HH22 ARG 31 1HH2 ARG 31 -3.857 6.509 7.987 231 H HIS 32 H HIS 32 4.835 6.275 3.674 232 HA HIS 32 HA HIS 32 7.358 5.763 5.060 233 HB2 HIS 32 1HB HIS 32 6.353 5.052 2.274 234 HB3 HIS 32 2HB HIS 32 7.921 4.590 2.905 235 HD1 HIS 32 1HD HIS 32 7.780 3.005 5.260 236 HD2 HIS 32 2HD HIS 32 4.567 3.189 2.557 237 HE1 HIS 32 1HE HIS 32 6.472 0.861 5.599 238 H SER 33 H SER 33 6.254 8.143 2.763 239 HA SER 33 HA SER 33 8.823 8.633 1.505 240 HB2 SER 33 1HB SER 33 6.194 10.147 1.355 241 HB3 SER 33 2HB SER 33 7.603 10.458 0.341 242 HG SER 33 HG SER 33 6.156 7.993 0.481 243 H THR 34 H THR 34 7.706 9.722 4.528 244 HA THR 34 HA THR 34 8.896 12.391 4.448 245 HB THR 34 HB THR 34 8.502 12.388 6.895 246 HG1 THR 34 1HG THR 34 7.320 10.667 7.758 247 HG21 THR 34 3HG2 THR 34 6.735 13.150 5.317 248 HG22 THR 34 1HG2 THR 34 6.065 12.437 6.794 249 HG23 THR 34 2HG2 THR 34 6.067 11.503 5.282 250 H GLU 35 H GLU 35 10.686 13.109 5.719 251 HA GLU 35 HA GLU 35 12.648 11.135 6.663 252 HB2 GLU 35 1HB GLU 35 13.071 11.388 4.210 253 HB3 GLU 35 2HB GLU 35 13.265 13.125 4.433 254 HG2 GLU 35 1HG GLU 35 15.419 12.027 4.202 255 HG3 GLU 35 2HG GLU 35 15.284 12.754 5.790 256 H LYS 36 H LYS 36 14.306 12.051 7.974 257 HA LYS 36 HA LYS 36 13.915 14.859 8.935 258 HB2 LYS 36 1HB LYS 36 14.096 12.368 10.678 259 HB3 LYS 36 2HB LYS 36 14.224 14.016 11.278 260 HG2 LYS 36 1HG LYS 36 11.757 12.846 9.911 261 HG3 LYS 36 2HG LYS 36 12.005 12.995 11.649 262 HD2 LYS 36 1HD LYS 36 12.152 15.481 11.424 263 HD3 LYS 36 2HD LYS 36 11.891 15.326 9.685 264 HE2 LYS 36 1HE LYS 36 9.799 15.922 10.618 265 HE3 LYS 36 2HE LYS 36 9.687 14.233 10.119 266 HZ1 LYS 36 3HZ LYS 36 8.731 14.609 12.331 267 HZ2 LYS 36 1HZ LYS 36 10.151 15.165 12.908 268 HZ3 LYS 36 2HZ LYS 36 10.003 13.599 12.457 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 7.707 -11.489 5.903 2 H2 GLY 1 2H GLY 1 6.649 -11.110 7.100 3 H3 GLY 1 3H GLY 1 6.241 -10.846 5.534 4 HA2 GLY 1 1HA GLY 1 6.648 -13.477 6.800 5 HA3 GLY 1 2HA GLY 1 5.091 -12.781 6.311 6 H SER 2 H SER 2 4.731 -14.636 4.960 7 HA SER 2 HA SER 2 6.505 -15.465 2.879 8 HB2 SER 2 1HB SER 2 3.500 -15.872 3.109 9 HB3 SER 2 2HB SER 2 4.610 -16.782 2.066 10 HG SER 2 HG SER 2 4.174 -17.877 4.047 11 H SER 3 H SER 3 6.535 -15.117 0.671 12 HA SER 3 HA SER 3 5.413 -12.597 -0.320 13 HB2 SER 3 1HB SER 3 6.760 -13.111 -2.340 14 HB3 SER 3 2HB SER 3 7.697 -13.045 -0.838 15 HG SER 3 HG SER 3 8.258 -14.862 -2.137 16 H GLY 4 H GLY 4 4.180 -12.364 -2.219 17 HA2 GLY 4 1HA GLY 4 2.507 -12.828 -3.738 18 HA3 GLY 4 2HA GLY 4 2.935 -14.531 -3.648 19 H SER 5 H SER 5 0.531 -14.550 -3.987 20 HA SER 5 HA SER 5 -1.606 -14.922 -3.334 21 HB2 SER 5 1HB SER 5 -0.223 -16.116 -0.917 22 HB3 SER 5 2HB SER 5 -1.863 -16.490 -1.480 23 HG SER 5 HG SER 5 -0.313 -18.013 -2.238 24 H SER 6 H SER 6 -0.884 -12.250 -2.706 25 HA SER 6 HA SER 6 -1.588 -11.364 -0.142 26 HB2 SER 6 1HB SER 6 -1.975 -9.897 -2.779 27 HB3 SER 6 2HB SER 6 -1.860 -9.160 -1.168 28 HG SER 6 HG SER 6 0.142 -9.165 -2.379 29 H GLY 7 H GLY 7 -3.444 -10.840 0.913 30 HA2 GLY 7 1HA GLY 7 -5.983 -11.879 0.059 31 HA3 GLY 7 2HA GLY 7 -5.672 -10.859 1.473 32 H LYS 8 H LYS 8 -4.522 -8.784 -0.474 33 HA LYS 8 HA LYS 8 -7.081 -7.518 -1.338 34 HB2 LYS 8 1HB LYS 8 -5.013 -6.501 0.633 35 HB3 LYS 8 2HB LYS 8 -6.124 -5.403 -0.189 36 HG2 LYS 8 1HG LYS 8 -8.065 -6.555 0.700 37 HG3 LYS 8 2HG LYS 8 -7.072 -7.806 1.446 38 HD2 LYS 8 1HD LYS 8 -6.883 -4.882 2.202 39 HD3 LYS 8 2HD LYS 8 -7.947 -6.058 3.001 40 HE2 LYS 8 1HE LYS 8 -6.072 -7.429 3.687 41 HE3 LYS 8 2HE LYS 8 -4.932 -6.418 2.792 42 HZ1 LYS 8 3HZ LYS 8 -6.568 -5.438 5.071 43 HZ2 LYS 8 1HZ LYS 8 -5.412 -4.589 4.262 44 HZ3 LYS 8 2HZ LYS 8 -4.999 -5.878 5.181 45 HA PRO 9 HA PRO 9 -5.102 -6.583 -5.012 46 HB2 PRO 9 1HB PRO 9 -6.208 -4.233 -5.876 47 HB3 PRO 9 2HB PRO 9 -7.091 -5.787 -5.765 48 HG2 PRO 9 1HG PRO 9 -6.972 -3.577 -3.691 49 HG3 PRO 9 2HG PRO 9 -8.442 -4.349 -4.385 50 HD2 PRO 9 1HD PRO 9 -7.438 -5.159 -2.026 51 HD3 PRO 9 2HD PRO 9 -7.976 -6.386 -3.212 52 H PHE 10 H PHE 10 -4.881 -3.684 -2.849 53 HA PHE 10 HA PHE 10 -2.374 -2.885 -4.279 54 HB2 PHE 10 1HB PHE 10 -4.172 -1.192 -2.557 55 HB3 PHE 10 2HB PHE 10 -2.804 -0.671 -3.512 56 HD1 PHE 10 1HD PHE 10 -2.787 -1.049 -6.034 57 HD2 PHE 10 2HD PHE 10 -6.347 -1.325 -3.626 58 HE1 PHE 10 1HE PHE 10 -4.168 -0.933 -8.077 59 HE2 PHE 10 2HE PHE 10 -7.744 -1.235 -5.680 60 HZ PHE 10 HZ PHE 10 -6.658 -1.003 -7.913 61 H LYS 11 H LYS 11 -1.079 -4.205 -3.439 62 HA LYS 11 HA LYS 11 -0.361 -4.231 -0.568 63 HB2 LYS 11 1HB LYS 11 -0.367 -6.337 -1.813 64 HB3 LYS 11 2HB LYS 11 0.714 -5.670 -3.029 65 HG2 LYS 11 1HG LYS 11 1.877 -7.203 -1.528 66 HG3 LYS 11 2HG LYS 11 2.561 -5.585 -1.435 67 HD2 LYS 11 1HD LYS 11 1.589 -5.222 0.735 68 HD3 LYS 11 2HD LYS 11 0.480 -6.594 0.535 69 HE2 LYS 11 1HE LYS 11 2.174 -7.270 2.053 70 HE3 LYS 11 2HE LYS 11 2.398 -8.159 0.549 71 HZ1 LYS 11 3HZ LYS 11 4.446 -7.267 1.556 72 HZ2 LYS 11 1HZ LYS 11 3.956 -5.725 1.274 73 HZ3 LYS 11 2HZ LYS 11 4.249 -6.725 0.005 74 H CYS 12 H CYS 12 0.919 -2.821 0.234 75 HA CYS 12 HA CYS 12 2.489 -0.814 -0.993 76 HB2 CYS 12 1HB CYS 12 1.721 -0.878 1.341 77 HB3 CYS 12 2HB CYS 12 2.761 -2.271 1.660 78 H SER 13 H SER 13 4.506 -0.754 -1.836 79 HA SER 13 HA SER 13 5.901 -3.255 -2.458 80 HB2 SER 13 1HB SER 13 7.389 -1.783 -3.779 81 HB3 SER 13 2HB SER 13 5.676 -1.596 -4.189 82 HG SER 13 HG SER 13 6.759 0.424 -3.963 83 H LEU 14 H LEU 14 5.925 -1.304 0.212 84 HA LEU 14 HA LEU 14 8.857 -1.553 0.781 85 HB2 LEU 14 1HB LEU 14 6.794 0.322 1.979 86 HB3 LEU 14 2HB LEU 14 8.527 0.413 2.173 87 HG LEU 14 HG LEU 14 7.127 0.781 -0.526 88 HD11 LEU 14 1HD1 LEU 14 7.568 3.160 -0.286 89 HD12 LEU 14 2HD1 LEU 14 8.173 2.886 1.370 90 HD13 LEU 14 3HD1 LEU 14 6.468 2.556 0.949 91 HD21 LEU 14 3HD2 LEU 14 9.288 1.740 -1.232 92 HD22 LEU 14 1HD2 LEU 14 9.473 0.056 -0.730 93 HD23 LEU 14 2HD2 LEU 14 9.983 1.364 0.363 94 H CYS 15 H CYS 15 5.627 -1.944 2.153 95 HA CYS 15 HA CYS 15 6.707 -3.769 4.239 96 HB2 CYS 15 1HB CYS 15 5.578 -2.735 5.973 97 HB3 CYS 15 2HB CYS 15 6.343 -1.425 5.100 98 H GLU 16 H GLU 16 4.555 -4.527 5.524 99 HA GLU 16 HA GLU 16 3.212 -6.220 3.522 100 HB2 GLU 16 1HB GLU 16 4.403 -6.813 5.940 101 HB3 GLU 16 2HB GLU 16 2.730 -6.648 6.427 102 HG2 GLU 16 1HG GLU 16 2.957 -8.933 5.904 103 HG3 GLU 16 2HG GLU 16 2.224 -8.296 4.435 104 H TYR 17 H TYR 17 2.466 -3.291 4.443 105 HA TYR 17 HA TYR 17 -0.340 -3.454 5.115 106 HB2 TYR 17 1HB TYR 17 1.006 -1.452 5.384 107 HB3 TYR 17 2HB TYR 17 1.339 -1.375 3.673 108 HD1 TYR 17 1HD TYR 17 -0.452 -0.688 2.060 109 HD2 TYR 17 2HD TYR 17 -1.117 -0.633 6.315 110 HE1 TYR 17 1HE TYR 17 -2.411 0.842 1.733 111 HE2 TYR 17 2HE TYR 17 -3.066 0.886 5.984 112 HH TYR 17 HH TYR 17 -4.349 2.030 4.482 113 H ALA 18 H ALA 18 -2.147 -3.690 3.904 114 HA ALA 18 HA ALA 18 -2.017 -3.174 1.065 115 HB1 ALA 18 1HB ALA 18 -2.940 -5.913 2.012 116 HB2 ALA 18 2HB ALA 18 -2.963 -5.307 0.326 117 HB3 ALA 18 3HB ALA 18 -1.420 -5.571 1.177 118 H THR 19 H THR 19 -3.973 -2.727 0.073 119 HA THR 19 HA THR 19 -6.425 -2.564 1.760 120 HB THR 19 HB THR 19 -5.145 -0.471 2.092 121 HG1 THR 19 1HG THR 19 -7.386 -0.413 2.129 122 HG21 THR 19 3HG2 THR 19 -5.465 -0.015 -0.881 123 HG22 THR 19 1HG2 THR 19 -3.943 -0.348 -0.019 124 HG23 THR 19 2HG2 THR 19 -4.854 1.112 0.348 125 H ARG 20 H ARG 20 -8.317 -1.818 0.536 126 HA ARG 20 HA ARG 20 -8.561 -3.198 -2.068 127 HB2 ARG 20 1HB ARG 20 -10.529 -2.088 -0.048 128 HB3 ARG 20 2HB ARG 20 -11.054 -2.630 -1.633 129 HG2 ARG 20 1HG ARG 20 -9.463 -4.431 0.237 130 HG3 ARG 20 2HG ARG 20 -11.217 -4.319 0.298 131 HD2 ARG 20 1HD ARG 20 -9.694 -5.080 -2.225 132 HD3 ARG 20 2HD ARG 20 -10.289 -6.255 -1.071 133 HE ARG 20 HE ARG 20 -11.845 -4.670 -2.999 134 HH11 ARG 20 2HH1 ARG 20 -12.143 -6.703 -0.152 135 HH12 ARG 20 1HH1 ARG 20 -13.823 -7.038 -0.467 136 HH21 ARG 20 1HH2 ARG 20 -13.981 -5.141 -3.327 137 HH22 ARG 20 2HH2 ARG 20 -14.828 -6.175 -2.214 138 H SER 21 H SER 21 -7.940 -0.004 -1.130 139 HA SER 21 HA SER 21 -8.897 1.012 -3.793 140 HB2 SER 21 1HB SER 21 -8.911 2.482 -1.135 141 HB3 SER 21 2HB SER 21 -9.369 3.167 -2.703 142 HG SER 21 HG SER 21 -11.100 1.711 -2.804 143 H LYS 22 H LYS 22 -7.344 1.772 -5.063 144 HA LYS 22 HA LYS 22 -4.620 1.920 -4.318 145 HB2 LYS 22 1HB LYS 22 -4.211 2.745 -6.530 146 HB3 LYS 22 2HB LYS 22 -5.471 1.534 -6.589 147 HG2 LYS 22 1HG LYS 22 -7.204 3.323 -6.779 148 HG3 LYS 22 2HG LYS 22 -5.927 4.544 -6.715 149 HD2 LYS 22 1HD LYS 22 -6.588 4.238 -9.000 150 HD3 LYS 22 2HD LYS 22 -4.937 3.638 -8.796 151 HE2 LYS 22 1HE LYS 22 -5.788 1.308 -8.700 152 HE3 LYS 22 2HE LYS 22 -7.451 1.900 -8.832 153 HZ1 LYS 22 3HZ LYS 22 -5.352 2.243 -10.912 154 HZ2 LYS 22 1HZ LYS 22 -6.888 2.785 -11.034 155 HZ3 LYS 22 2HZ LYS 22 -6.590 1.184 -10.989 156 H SER 23 H SER 23 -7.037 4.459 -4.260 157 HA SER 23 HA SER 23 -5.311 6.706 -3.767 158 HB2 SER 23 1HB SER 23 -7.453 7.733 -2.935 159 HB3 SER 23 2HB SER 23 -7.552 7.038 -4.564 160 HG SER 23 HG SER 23 -9.340 6.437 -3.226 161 H ASN 24 H ASN 24 -6.585 4.169 -1.659 162 HA ASN 24 HA ASN 24 -5.837 5.583 0.804 163 HB2 ASN 24 1HB ASN 24 -7.824 4.023 0.571 164 HB3 ASN 24 2HB ASN 24 -6.684 2.685 0.422 165 HD21 ASN 24 2HD2 ASN 24 -7.180 1.635 2.315 166 HD22 ASN 24 1HD2 ASN 24 -7.023 2.367 3.912 167 H LEU 25 H LEU 25 -4.541 2.766 -1.106 168 HA LEU 25 HA LEU 25 -2.192 2.496 0.424 169 HB2 LEU 25 1HB LEU 25 -2.705 0.857 -1.285 170 HB3 LEU 25 2HB LEU 25 -2.548 2.051 -2.571 171 HG LEU 25 HG LEU 25 -0.188 2.257 -2.097 172 HD11 LEU 25 1HD1 LEU 25 0.994 0.829 -0.465 173 HD12 LEU 25 2HD1 LEU 25 -0.565 0.159 0.063 174 HD13 LEU 25 3HD1 LEU 25 -0.162 1.867 0.357 175 HD21 LEU 25 3HD2 LEU 25 -0.875 -0.671 -2.270 176 HD22 LEU 25 1HD2 LEU 25 0.649 0.087 -2.760 177 HD23 LEU 25 2HD2 LEU 25 -0.843 0.475 -3.639 178 H LYS 26 H LYS 26 -2.710 4.638 -2.370 179 HA LYS 26 HA LYS 26 -0.247 5.986 -2.528 180 HB2 LYS 26 1HB LYS 26 -2.216 6.381 -3.993 181 HB3 LYS 26 2HB LYS 26 -3.065 7.132 -2.650 182 HG2 LYS 26 1HG LYS 26 -1.055 8.861 -2.654 183 HG3 LYS 26 2HG LYS 26 -0.719 8.177 -4.246 184 HD2 LYS 26 1HD LYS 26 -2.102 10.052 -4.643 185 HD3 LYS 26 2HD LYS 26 -3.191 8.656 -4.792 186 HE2 LYS 26 1HE LYS 26 -4.022 9.039 -2.493 187 HE3 LYS 26 2HE LYS 26 -2.870 10.363 -2.282 188 HZ1 LYS 26 3HZ LYS 26 -4.015 11.574 -4.050 189 HZ2 LYS 26 1HZ LYS 26 -5.077 11.189 -2.874 190 HZ3 LYS 26 2HZ LYS 26 -5.075 10.353 -4.278 191 H ALA 27 H ALA 27 -2.859 6.599 -0.235 192 HA ALA 27 HA ALA 27 -1.596 8.826 1.132 193 HB1 ALA 27 1HB ALA 27 -3.433 8.600 2.710 194 HB2 ALA 27 2HB ALA 27 -4.057 8.445 1.052 195 HB3 ALA 27 3HB ALA 27 -3.845 6.998 2.070 196 H HIS 28 H HIS 28 -1.614 5.312 1.678 197 HA HIS 28 HA HIS 28 -0.122 5.381 4.167 198 HB2 HIS 28 1HB HIS 28 -1.489 3.517 3.758 199 HB3 HIS 28 2HB HIS 28 -0.823 3.250 2.154 200 HD1 HIS 28 1HD HIS 28 0.066 2.664 5.829 201 HD2 HIS 28 2HD HIS 28 1.549 2.030 1.945 202 HE1 HIS 28 1HE HIS 28 2.084 1.149 6.096 203 H MET 29 H MET 29 0.799 5.045 0.714 204 HA MET 29 HA MET 29 3.571 4.530 1.106 205 HB2 MET 29 1HB MET 29 2.237 5.961 -1.217 206 HB3 MET 29 2HB MET 29 3.838 5.238 -1.228 207 HG2 MET 29 1HG MET 29 1.856 3.223 -0.417 208 HG3 MET 29 2HG MET 29 1.345 4.062 -1.837 209 HE1 MET 29 3HE MET 29 3.943 1.877 -0.248 210 HE2 MET 29 1HE MET 29 5.118 1.522 -1.537 211 HE3 MET 29 2HE MET 29 5.035 3.154 -0.826 212 H ASN 30 H ASN 30 1.791 7.605 1.007 213 HA ASN 30 HA ASN 30 4.022 9.383 1.110 214 HB2 ASN 30 1HB ASN 30 1.152 9.587 2.131 215 HB3 ASN 30 2HB ASN 30 2.294 10.923 2.201 216 HD21 ASN 30 1HD2 ASN 30 0.004 11.378 0.865 217 HD22 ASN 30 2HD2 ASN 30 0.338 11.436 -0.861 218 H ARG 31 H ARG 31 2.667 7.348 3.673 219 HA ARG 31 HA ARG 31 3.888 8.794 5.899 220 HB2 ARG 31 1HB ARG 31 2.977 5.892 5.847 221 HB3 ARG 31 2HB ARG 31 3.209 6.920 7.260 222 HG2 ARG 31 1HG ARG 31 1.335 8.379 6.550 223 HG3 ARG 31 2HG ARG 31 1.105 7.378 5.108 224 HD2 ARG 31 1HD ARG 31 0.707 5.399 6.607 225 HD3 ARG 31 2HD ARG 31 0.713 6.521 7.986 226 HE ARG 31 HE ARG 31 -1.096 7.484 5.989 227 HH11 ARG 31 2HH1 ARG 31 -0.958 4.896 8.348 228 HH12 ARG 31 1HH1 ARG 31 -2.692 4.749 8.423 229 HH21 ARG 31 2HH2 ARG 31 -3.300 7.266 6.159 230 HH22 ARG 31 1HH2 ARG 31 -3.977 6.062 7.214 231 H HIS 32 H HIS 32 5.000 6.307 3.699 232 HA HIS 32 HA HIS 32 7.416 5.671 5.213 233 HB2 HIS 32 1HB HIS 32 6.553 5.118 2.347 234 HB3 HIS 32 2HB HIS 32 8.086 4.602 3.025 235 HD1 HIS 32 1HD HIS 32 7.837 2.922 5.286 236 HD2 HIS 32 2HD HIS 32 4.683 3.286 2.529 237 HE1 HIS 32 1HE HIS 32 6.451 0.818 5.546 238 H SER 33 H SER 33 6.514 8.419 3.393 239 HA SER 33 HA SER 33 9.152 8.970 2.254 240 HB2 SER 33 1HB SER 33 6.868 9.426 1.183 241 HB3 SER 33 2HB SER 33 6.764 10.828 2.258 242 HG SER 33 HG SER 33 8.767 11.543 1.343 243 H THR 34 H THR 34 8.318 9.189 5.375 244 HA THR 34 HA THR 34 9.062 11.911 6.069 245 HB THR 34 HB THR 34 9.136 10.999 8.400 246 HG1 THR 34 1HG THR 34 8.271 8.859 8.613 247 HG21 THR 34 3HG2 THR 34 7.029 11.884 7.440 248 HG22 THR 34 1HG2 THR 34 6.737 10.568 8.587 249 HG23 THR 34 2HG2 THR 34 6.619 10.264 6.840 250 H GLU 35 H GLU 35 10.883 12.524 7.374 251 HA GLU 35 HA GLU 35 13.410 11.419 6.369 252 HB2 GLU 35 1HB GLU 35 12.820 13.836 8.112 253 HB3 GLU 35 2HB GLU 35 14.411 13.386 7.472 254 HG2 GLU 35 1HG GLU 35 13.523 13.561 5.152 255 HG3 GLU 35 2HG GLU 35 11.972 14.107 5.794 256 H LYS 36 H LYS 36 12.443 9.421 7.719 257 HA LYS 36 HA LYS 36 13.885 9.263 10.344 258 HB2 LYS 36 1HB LYS 36 11.120 8.182 9.661 259 HB3 LYS 36 2HB LYS 36 12.032 7.798 11.127 260 HG2 LYS 36 1HG LYS 36 12.067 10.215 11.735 261 HG3 LYS 36 2HG LYS 36 11.070 10.578 10.311 262 HD2 LYS 36 1HD LYS 36 9.293 9.076 11.169 263 HD3 LYS 36 2HD LYS 36 10.249 8.748 12.615 264 HE2 LYS 36 1HE LYS 36 9.266 11.509 11.751 265 HE3 LYS 36 2HE LYS 36 8.431 10.467 12.905 266 HZ1 LYS 36 3HZ LYS 36 9.811 12.069 14.060 267 HZ2 LYS 36 1HZ LYS 36 11.160 11.574 13.293 268 HZ3 LYS 36 2HZ LYS 36 10.399 10.576 14.342 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -8.405 -28.246 -4.833 2 H2 GLY 1 2H GLY 1 -9.062 -28.826 -3.448 3 H3 GLY 1 3H GLY 1 -7.625 -28.041 -3.408 4 HA2 GLY 1 1HA GLY 1 -10.224 -26.836 -4.114 5 HA3 GLY 1 2HA GLY 1 -9.363 -26.602 -2.582 6 H SER 2 H SER 2 -9.397 -24.313 -3.018 7 HA SER 2 HA SER 2 -8.216 -23.091 -5.308 8 HB2 SER 2 1HB SER 2 -8.568 -21.957 -2.508 9 HB3 SER 2 2HB SER 2 -8.296 -21.028 -3.996 10 HG SER 2 HG SER 2 -10.527 -21.143 -3.436 11 H SER 3 H SER 3 -6.252 -21.965 -5.589 12 HA SER 3 HA SER 3 -3.907 -23.229 -4.448 13 HB2 SER 3 1HB SER 3 -2.697 -21.672 -5.963 14 HB3 SER 3 2HB SER 3 -3.948 -22.627 -6.774 15 HG SER 3 HG SER 3 -4.018 -20.400 -7.372 16 H GLY 4 H GLY 4 -5.701 -20.393 -3.553 17 HA2 GLY 4 1HA GLY 4 -4.305 -19.948 -1.134 18 HA3 GLY 4 2HA GLY 4 -3.675 -18.809 -2.329 19 H SER 5 H SER 5 -4.638 -17.455 -0.463 20 HA SER 5 HA SER 5 -7.509 -16.932 -0.487 21 HB2 SER 5 1HB SER 5 -6.111 -16.541 1.501 22 HB3 SER 5 2HB SER 5 -5.201 -15.295 0.626 23 HG SER 5 HG SER 5 -6.959 -14.514 1.986 24 H SER 6 H SER 6 -8.540 -15.000 -1.210 25 HA SER 6 HA SER 6 -7.612 -13.863 -3.736 26 HB2 SER 6 1HB SER 6 -9.663 -12.477 -3.529 27 HB3 SER 6 2HB SER 6 -9.970 -14.218 -3.411 28 HG SER 6 HG SER 6 -11.091 -13.038 -1.791 29 H GLY 7 H GLY 7 -7.356 -12.983 -0.349 30 HA2 GLY 7 1HA GLY 7 -6.196 -11.307 0.736 31 HA3 GLY 7 2HA GLY 7 -5.206 -11.247 -0.717 32 H LYS 8 H LYS 8 -4.854 -9.119 -0.886 33 HA LYS 8 HA LYS 8 -7.158 -7.318 -1.409 34 HB2 LYS 8 1HB LYS 8 -4.725 -6.751 0.310 35 HB3 LYS 8 2HB LYS 8 -5.788 -5.475 -0.298 36 HG2 LYS 8 1HG LYS 8 -7.717 -6.477 0.873 37 HG3 LYS 8 2HG LYS 8 -6.694 -7.802 1.453 38 HD2 LYS 8 1HD LYS 8 -5.250 -6.142 2.630 39 HD3 LYS 8 2HD LYS 8 -6.376 -4.856 2.123 40 HE2 LYS 8 1HE LYS 8 -8.211 -5.998 3.330 41 HE3 LYS 8 2HE LYS 8 -7.098 -7.293 3.800 42 HZ1 LYS 8 3HZ LYS 8 -7.354 -5.623 5.570 43 HZ2 LYS 8 1HZ LYS 8 -6.788 -4.439 4.594 44 HZ3 LYS 8 2HZ LYS 8 -5.807 -5.658 5.053 45 HA PRO 9 HA PRO 9 -5.234 -6.494 -5.194 46 HB2 PRO 9 1HB PRO 9 -6.232 -4.043 -5.898 47 HB3 PRO 9 2HB PRO 9 -7.208 -5.543 -5.822 48 HG2 PRO 9 1HG PRO 9 -6.863 -3.456 -3.641 49 HG3 PRO 9 2HG PRO 9 -8.405 -4.095 -4.315 50 HD2 PRO 9 1HD PRO 9 -7.350 -5.107 -2.043 51 HD3 PRO 9 2HD PRO 9 -8.019 -6.218 -3.288 52 H PHE 10 H PHE 10 -4.843 -3.756 -2.867 53 HA PHE 10 HA PHE 10 -2.309 -2.950 -4.254 54 HB2 PHE 10 1HB PHE 10 -4.086 -1.251 -2.510 55 HB3 PHE 10 2HB PHE 10 -2.732 -0.748 -3.488 56 HD1 PHE 10 1HD PHE 10 -2.802 -1.145 -6.034 57 HD2 PHE 10 2HD PHE 10 -6.281 -1.204 -3.496 58 HE1 PHE 10 1HE PHE 10 -4.245 -0.888 -8.019 59 HE2 PHE 10 2HE PHE 10 -7.743 -0.984 -5.496 60 HZ PHE 10 HZ PHE 10 -6.728 -0.806 -7.765 61 H LYS 11 H LYS 11 -1.036 -4.303 -3.389 62 HA LYS 11 HA LYS 11 -0.377 -4.278 -0.498 63 HB2 LYS 11 1HB LYS 11 -0.352 -6.407 -1.874 64 HB3 LYS 11 2HB LYS 11 0.940 -5.719 -2.835 65 HG2 LYS 11 1HG LYS 11 1.966 -7.198 -1.283 66 HG3 LYS 11 2HG LYS 11 2.352 -5.577 -0.711 67 HD2 LYS 11 1HD LYS 11 0.734 -5.737 1.053 68 HD3 LYS 11 2HD LYS 11 -0.021 -7.179 0.322 69 HE2 LYS 11 1HE LYS 11 2.174 -8.383 0.694 70 HE3 LYS 11 2HE LYS 11 2.727 -6.971 1.605 71 HZ1 LYS 11 3HZ LYS 11 0.357 -8.650 2.269 72 HZ2 LYS 11 1HZ LYS 11 0.806 -7.308 3.110 73 HZ3 LYS 11 2HZ LYS 11 1.784 -8.628 3.075 74 H CYS 12 H CYS 12 0.974 -2.914 0.287 75 HA CYS 12 HA CYS 12 2.423 -0.855 -0.956 76 HB2 CYS 12 1HB CYS 12 1.781 -0.962 1.390 77 HB3 CYS 12 2HB CYS 12 2.841 -2.352 1.657 78 H SER 13 H SER 13 4.396 -0.604 -1.800 79 HA SER 13 HA SER 13 5.894 -2.934 -2.714 80 HB2 SER 13 1HB SER 13 6.542 0.030 -2.948 81 HB3 SER 13 2HB SER 13 7.319 -1.290 -3.841 82 HG SER 13 HG SER 13 5.671 -0.280 -5.075 83 H LEU 14 H LEU 14 5.909 -1.357 0.213 84 HA LEU 14 HA LEU 14 8.855 -1.669 0.715 85 HB2 LEU 14 1HB LEU 14 6.853 0.226 1.992 86 HB3 LEU 14 2HB LEU 14 8.584 0.229 2.235 87 HG LEU 14 HG LEU 14 7.251 0.783 -0.456 88 HD11 LEU 14 1HD1 LEU 14 7.715 3.151 -0.062 89 HD12 LEU 14 2HD1 LEU 14 8.247 2.771 1.599 90 HD13 LEU 14 3HD1 LEU 14 6.562 2.484 1.090 91 HD21 LEU 14 3HD2 LEU 14 9.429 1.739 -1.069 92 HD22 LEU 14 1HD2 LEU 14 9.572 0.027 -0.645 93 HD23 LEU 14 2HD2 LEU 14 10.087 1.271 0.520 94 H CYS 15 H CYS 15 5.631 -2.049 2.081 95 HA CYS 15 HA CYS 15 6.690 -3.920 4.152 96 HB2 CYS 15 1HB CYS 15 5.682 -2.820 5.925 97 HB3 CYS 15 2HB CYS 15 6.441 -1.552 4.988 98 H GLU 16 H GLU 16 4.578 -4.531 5.548 99 HA GLU 16 HA GLU 16 3.170 -6.445 3.832 100 HB2 GLU 16 1HB GLU 16 4.272 -6.719 6.256 101 HB3 GLU 16 2HB GLU 16 2.796 -5.959 6.820 102 HG2 GLU 16 1HG GLU 16 2.491 -8.259 7.136 103 HG3 GLU 16 2HG GLU 16 1.525 -7.905 5.716 104 H TYR 17 H TYR 17 2.480 -3.291 4.575 105 HA TYR 17 HA TYR 17 -0.313 -3.375 5.173 106 HB2 TYR 17 1HB TYR 17 1.127 -1.443 5.395 107 HB3 TYR 17 2HB TYR 17 1.408 -1.377 3.680 108 HD1 TYR 17 1HD TYR 17 -0.370 -0.668 2.097 109 HD2 TYR 17 2HD TYR 17 -0.976 -0.517 6.359 110 HE1 TYR 17 1HE TYR 17 -2.282 0.911 1.765 111 HE2 TYR 17 2HE TYR 17 -2.891 1.045 6.022 112 HH TYR 17 HH TYR 17 -4.191 2.171 4.511 113 H ALA 18 H ALA 18 -2.122 -3.604 3.977 114 HA ALA 18 HA ALA 18 -2.007 -3.138 1.134 115 HB1 ALA 18 1HB ALA 18 -2.993 -5.855 2.087 116 HB2 ALA 18 2HB ALA 18 -2.896 -5.267 0.396 117 HB3 ALA 18 3HB ALA 18 -1.418 -5.562 1.348 118 H THR 19 H THR 19 -3.962 -2.720 0.150 119 HA THR 19 HA THR 19 -6.399 -2.463 1.850 120 HB THR 19 HB THR 19 -5.083 -0.408 2.129 121 HG1 THR 19 1HG THR 19 -7.192 -0.066 2.229 122 HG21 THR 19 3HG2 THR 19 -5.365 0.038 -0.855 123 HG22 THR 19 1HG2 THR 19 -3.866 -0.456 -0.036 124 HG23 THR 19 2HG2 THR 19 -4.598 1.079 0.369 125 H ARG 20 H ARG 20 -8.290 -1.772 0.626 126 HA ARG 20 HA ARG 20 -8.507 -3.226 -1.946 127 HB2 ARG 20 1HB ARG 20 -10.518 -2.243 0.088 128 HB3 ARG 20 2HB ARG 20 -11.019 -2.854 -1.482 129 HG2 ARG 20 1HG ARG 20 -9.251 -4.516 0.353 130 HG3 ARG 20 2HG ARG 20 -11.007 -4.495 0.509 131 HD2 ARG 20 1HD ARG 20 -11.296 -5.321 -1.777 132 HD3 ARG 20 2HD ARG 20 -9.578 -5.206 -2.087 133 HE ARG 20 HE ARG 20 -9.214 -7.215 -0.987 134 HH11 ARG 20 2HH1 ARG 20 -12.496 -6.268 -0.192 135 HH12 ARG 20 1HH1 ARG 20 -12.842 -7.819 0.523 136 HH21 ARG 20 2HH2 ARG 20 -9.706 -9.122 -0.095 137 HH22 ARG 20 1HH2 ARG 20 -11.297 -9.396 0.574 138 H SER 21 H SER 21 -7.981 -0.018 -1.106 139 HA SER 21 HA SER 21 -8.969 0.890 -3.791 140 HB2 SER 21 1HB SER 21 -9.109 2.464 -1.196 141 HB3 SER 21 2HB SER 21 -9.537 3.060 -2.808 142 HG SER 21 HG SER 21 -11.381 2.338 -1.639 143 H LYS 22 H LYS 22 -7.462 1.847 -5.028 144 HA LYS 22 HA LYS 22 -4.745 1.953 -4.254 145 HB2 LYS 22 1HB LYS 22 -4.314 2.955 -6.404 146 HB3 LYS 22 2HB LYS 22 -5.507 1.681 -6.551 147 HG2 LYS 22 1HG LYS 22 -7.329 3.391 -6.678 148 HG3 LYS 22 2HG LYS 22 -6.118 4.669 -6.514 149 HD2 LYS 22 1HD LYS 22 -6.720 4.462 -8.830 150 HD3 LYS 22 2HD LYS 22 -5.044 3.935 -8.627 151 HE2 LYS 22 1HE LYS 22 -5.780 1.562 -8.673 152 HE3 LYS 22 2HE LYS 22 -7.467 2.079 -8.811 153 HZ1 LYS 22 3HZ LYS 22 -6.528 1.524 -10.982 154 HZ2 LYS 22 1HZ LYS 22 -5.346 2.637 -10.821 155 HZ3 LYS 22 2HZ LYS 22 -6.905 3.110 -10.948 156 H SER 23 H SER 23 -7.159 4.460 -3.964 157 HA SER 23 HA SER 23 -5.468 6.719 -3.480 158 HB2 SER 23 1HB SER 23 -7.549 7.601 -2.347 159 HB3 SER 23 2HB SER 23 -7.775 7.039 -4.014 160 HG SER 23 HG SER 23 -9.413 6.265 -2.575 161 H ASN 24 H ASN 24 -6.665 4.142 -1.316 162 HA ASN 24 HA ASN 24 -5.697 5.355 1.143 163 HB2 ASN 24 1HB ASN 24 -6.388 2.486 0.402 164 HB3 ASN 24 2HB ASN 24 -5.957 3.003 2.023 165 HD21 ASN 24 1HD2 ASN 24 -8.303 1.689 1.415 166 HD22 ASN 24 2HD2 ASN 24 -9.646 2.792 1.736 167 H LEU 25 H LEU 25 -4.361 2.785 -1.042 168 HA LEU 25 HA LEU 25 -1.946 2.559 0.403 169 HB2 LEU 25 1HB LEU 25 -2.584 0.849 -1.200 170 HB3 LEU 25 2HB LEU 25 -2.443 1.978 -2.546 171 HG LEU 25 HG LEU 25 -0.063 2.163 -2.148 172 HD11 LEU 25 1HD1 LEU 25 -0.366 0.094 0.059 173 HD12 LEU 25 2HD1 LEU 25 0.010 1.814 0.328 174 HD13 LEU 25 3HD1 LEU 25 1.156 0.803 -0.519 175 HD21 LEU 25 3HD2 LEU 25 0.705 -0.049 -2.772 176 HD22 LEU 25 1HD2 LEU 25 -0.790 0.367 -3.626 177 HD23 LEU 25 2HD2 LEU 25 -0.830 -0.750 -2.233 178 H LYS 26 H LYS 26 -2.673 4.609 -2.398 179 HA LYS 26 HA LYS 26 -0.176 5.888 -2.727 180 HB2 LYS 26 1HB LYS 26 -2.102 6.151 -4.212 181 HB3 LYS 26 2HB LYS 26 -2.982 7.061 -2.992 182 HG2 LYS 26 1HG LYS 26 -0.274 8.038 -3.944 183 HG3 LYS 26 2HG LYS 26 -1.654 8.221 -5.005 184 HD2 LYS 26 1HD LYS 26 -1.446 9.407 -2.203 185 HD3 LYS 26 2HD LYS 26 -1.169 10.269 -3.701 186 HE2 LYS 26 1HE LYS 26 -3.824 8.981 -2.910 187 HE3 LYS 26 2HE LYS 26 -3.405 10.671 -2.650 188 HZ1 LYS 26 3HZ LYS 26 -3.581 9.379 -5.322 189 HZ2 LYS 26 1HZ LYS 26 -3.160 10.936 -5.058 190 HZ3 LYS 26 2HZ LYS 26 -4.662 10.425 -4.693 191 H ALA 27 H ALA 27 -2.620 6.543 -0.243 192 HA ALA 27 HA ALA 27 -1.209 8.858 0.851 193 HB1 ALA 27 1HB ALA 27 -3.414 7.112 2.040 194 HB2 ALA 27 2HB ALA 27 -2.886 8.696 2.641 195 HB3 ALA 27 3HB ALA 27 -3.666 8.568 1.050 196 H HIS 28 H HIS 28 -1.427 5.365 1.664 197 HA HIS 28 HA HIS 28 0.213 5.428 4.014 198 HB2 HIS 28 1HB HIS 28 -1.268 3.627 3.625 199 HB3 HIS 28 2HB HIS 28 -0.582 3.288 2.039 200 HD1 HIS 28 1HD HIS 28 0.242 2.797 5.750 201 HD2 HIS 28 2HD HIS 28 1.713 1.969 1.900 202 HE1 HIS 28 1HE HIS 28 2.185 1.208 6.087 203 H MET 29 H MET 29 1.023 5.064 0.559 204 HA MET 29 HA MET 29 3.838 4.592 0.877 205 HB2 MET 29 1HB MET 29 2.325 5.857 -1.428 206 HB3 MET 29 2HB MET 29 3.960 5.211 -1.508 207 HG2 MET 29 1HG MET 29 1.988 3.215 -0.506 208 HG3 MET 29 2HG MET 29 1.582 3.895 -2.036 209 HE1 MET 29 3HE MET 29 4.131 1.991 -0.067 210 HE2 MET 29 1HE MET 29 5.323 1.435 -1.271 211 HE3 MET 29 2HE MET 29 5.254 3.156 -0.807 212 H ASN 30 H ASN 30 1.951 7.544 1.118 213 HA ASN 30 HA ASN 30 4.351 9.280 1.108 214 HB2 ASN 30 1HB ASN 30 1.370 9.781 1.384 215 HB3 ASN 30 2HB ASN 30 2.554 10.995 1.848 216 HD21 ASN 30 1HD2 ASN 30 1.355 9.098 -0.960 217 HD22 ASN 30 2HD2 ASN 30 2.025 10.229 -2.124 218 H ARG 31 H ARG 31 2.157 7.778 3.526 219 HA ARG 31 HA ARG 31 3.310 8.977 5.870 220 HB2 ARG 31 1HB ARG 31 2.176 6.166 5.546 221 HB3 ARG 31 2HB ARG 31 2.522 6.957 7.075 222 HG2 ARG 31 1HG ARG 31 0.860 8.711 6.628 223 HG3 ARG 31 2HG ARG 31 0.474 7.967 5.069 224 HD2 ARG 31 1HD ARG 31 -0.162 5.857 6.271 225 HD3 ARG 31 2HD ARG 31 0.123 6.695 7.810 226 HE ARG 31 HE ARG 31 -1.673 8.264 6.251 227 HH11 ARG 31 2HH1 ARG 31 -1.741 5.233 8.010 228 HH12 ARG 31 1HH1 ARG 31 -3.461 5.318 8.267 229 HH21 ARG 31 2HH2 ARG 31 -3.861 8.312 6.625 230 HH22 ARG 31 1HH2 ARG 31 -4.623 7.020 7.504 231 H HIS 32 H HIS 32 4.568 6.419 3.821 232 HA HIS 32 HA HIS 32 6.635 5.517 5.570 233 HB2 HIS 32 1HB HIS 32 6.112 5.385 2.606 234 HB3 HIS 32 2HB HIS 32 7.731 5.027 3.174 235 HD1 HIS 32 1HD HIS 32 7.883 3.039 5.138 236 HD2 HIS 32 2HD HIS 32 4.493 3.296 2.660 237 HE1 HIS 32 1HE HIS 32 6.790 0.754 5.235 238 H SER 33 H SER 33 6.391 8.585 3.939 239 HA SER 33 HA SER 33 9.289 9.138 4.052 240 HB2 SER 33 1HB SER 33 7.833 10.096 2.268 241 HB3 SER 33 2HB SER 33 6.989 11.043 3.512 242 HG SER 33 HG SER 33 8.728 12.200 2.505 243 H THR 34 H THR 34 10.306 9.882 5.807 244 HA THR 34 HA THR 34 8.831 11.164 8.059 245 HB THR 34 HB THR 34 10.033 9.705 9.658 246 HG1 THR 34 1HG THR 34 10.958 7.800 8.886 247 HG21 THR 34 3HG2 THR 34 7.698 9.150 8.970 248 HG22 THR 34 1HG2 THR 34 8.648 7.739 9.458 249 HG23 THR 34 2HG2 THR 34 8.349 8.050 7.735 250 H GLU 35 H GLU 35 10.240 12.087 9.706 251 HA GLU 35 HA GLU 35 12.975 12.858 8.800 252 HB2 GLU 35 1HB GLU 35 10.836 14.684 9.962 253 HB3 GLU 35 2HB GLU 35 12.529 15.127 9.813 254 HG2 GLU 35 1HG GLU 35 10.652 14.461 7.503 255 HG3 GLU 35 2HG GLU 35 11.132 16.071 8.016 256 H LYS 36 H LYS 36 14.449 13.336 10.462 257 HA LYS 36 HA LYS 36 13.783 12.766 13.265 258 HB2 LYS 36 1HB LYS 36 15.438 10.996 13.515 259 HB3 LYS 36 2HB LYS 36 14.164 10.524 12.395 260 HG2 LYS 36 1HG LYS 36 15.684 11.021 10.470 261 HG3 LYS 36 2HG LYS 36 16.967 11.457 11.619 262 HD2 LYS 36 1HD LYS 36 16.899 9.166 12.564 263 HD3 LYS 36 2HD LYS 36 15.610 8.732 11.418 264 HE2 LYS 36 1HE LYS 36 17.130 9.248 9.519 265 HE3 LYS 36 2HE LYS 36 18.412 9.676 10.660 266 HZ1 LYS 36 3HZ LYS 36 17.179 6.982 10.420 267 HZ2 LYS 36 1HZ LYS 36 18.365 7.377 11.474 268 HZ3 LYS 36 2HZ LYS 36 18.658 7.394 9.870 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -1.349 -17.190 9.097 2 H2 GLY 1 2H GLY 1 -2.017 -18.656 8.797 3 H3 GLY 1 3H GLY 1 -2.523 -17.777 10.081 4 HA2 GLY 1 1HA GLY 1 -3.432 -16.075 8.645 5 HA3 GLY 1 2HA GLY 1 -2.878 -17.021 7.251 6 H SER 2 H SER 2 -5.491 -16.336 7.359 7 HA SER 2 HA SER 2 -6.925 -18.905 7.867 8 HB2 SER 2 1HB SER 2 -7.934 -16.155 8.697 9 HB3 SER 2 2HB SER 2 -8.830 -17.677 8.822 10 HG SER 2 HG SER 2 -7.248 -18.424 10.299 11 H SER 3 H SER 3 -8.647 -19.340 6.529 12 HA SER 3 HA SER 3 -8.444 -18.302 3.886 13 HB2 SER 3 1HB SER 3 -10.559 -20.154 5.036 14 HB3 SER 3 2HB SER 3 -10.123 -19.968 3.326 15 HG SER 3 HG SER 3 -9.096 -21.785 4.286 16 H GLY 4 H GLY 4 -10.234 -16.927 6.393 17 HA2 GLY 4 1HA GLY 4 -12.667 -16.191 5.049 18 HA3 GLY 4 2HA GLY 4 -12.015 -15.483 6.526 19 H SER 5 H SER 5 -9.484 -14.887 4.641 20 HA SER 5 HA SER 5 -10.255 -12.147 4.011 21 HB2 SER 5 1HB SER 5 -7.996 -12.695 4.784 22 HB3 SER 5 2HB SER 5 -7.731 -13.691 3.342 23 HG SER 5 HG SER 5 -6.858 -11.641 3.056 24 H SER 6 H SER 6 -10.886 -11.286 2.132 25 HA SER 6 HA SER 6 -11.232 -12.896 -0.304 26 HB2 SER 6 1HB SER 6 -11.769 -9.942 0.158 27 HB3 SER 6 2HB SER 6 -12.347 -10.927 -1.197 28 HG SER 6 HG SER 6 -13.580 -12.152 0.283 29 H GLY 7 H GLY 7 -8.474 -11.850 0.872 30 HA2 GLY 7 1HA GLY 7 -6.412 -11.288 -0.025 31 HA3 GLY 7 2HA GLY 7 -7.113 -11.258 -1.645 32 H LYS 8 H LYS 8 -5.396 -9.360 -1.381 33 HA LYS 8 HA LYS 8 -7.059 -6.927 -1.294 34 HB2 LYS 8 1HB LYS 8 -4.376 -7.111 0.122 35 HB3 LYS 8 2HB LYS 8 -5.171 -5.603 -0.328 36 HG2 LYS 8 1HG LYS 8 -5.950 -5.712 1.785 37 HG3 LYS 8 2HG LYS 8 -7.233 -6.610 0.998 38 HD2 LYS 8 1HD LYS 8 -5.779 -8.749 1.646 39 HD3 LYS 8 2HD LYS 8 -4.893 -7.620 2.661 40 HE2 LYS 8 1HE LYS 8 -6.484 -8.463 4.146 41 HE3 LYS 8 2HE LYS 8 -7.198 -6.934 3.626 42 HZ1 LYS 8 3HZ LYS 8 -7.954 -9.680 2.787 43 HZ2 LYS 8 1HZ LYS 8 -8.418 -8.384 1.900 44 HZ3 LYS 8 2HZ LYS 8 -8.904 -8.544 3.463 45 HA PRO 9 HA PRO 9 -5.070 -6.522 -5.218 46 HB2 PRO 9 1HB PRO 9 -6.055 -4.124 -6.067 47 HB3 PRO 9 2HB PRO 9 -7.057 -5.603 -5.912 48 HG2 PRO 9 1HG PRO 9 -6.692 -3.401 -3.843 49 HG3 PRO 9 2HG PRO 9 -8.242 -4.048 -4.496 50 HD2 PRO 9 1HD PRO 9 -7.128 -4.903 -2.179 51 HD3 PRO 9 2HD PRO 9 -7.941 -6.068 -3.284 52 H PHE 10 H PHE 10 -4.816 -3.714 -2.965 53 HA PHE 10 HA PHE 10 -2.249 -2.881 -4.262 54 HB2 PHE 10 1HB PHE 10 -4.138 -1.212 -2.608 55 HB3 PHE 10 2HB PHE 10 -2.739 -0.672 -3.501 56 HD1 PHE 10 1HD PHE 10 -2.646 -1.203 -6.056 57 HD2 PHE 10 2HD PHE 10 -6.262 -1.110 -3.721 58 HE1 PHE 10 1HE PHE 10 -3.971 -1.059 -8.129 59 HE2 PHE 10 2HE PHE 10 -7.607 -0.975 -5.806 60 HZ PHE 10 HZ PHE 10 -6.468 -0.950 -8.022 61 H LYS 11 H LYS 11 -0.980 -4.185 -3.350 62 HA LYS 11 HA LYS 11 -0.466 -4.170 -0.422 63 HB2 LYS 11 1HB LYS 11 -0.679 -6.289 -1.804 64 HB3 LYS 11 2HB LYS 11 0.799 -5.839 -2.635 65 HG2 LYS 11 1HG LYS 11 0.500 -6.487 0.335 66 HG3 LYS 11 2HG LYS 11 1.147 -7.541 -0.923 67 HD2 LYS 11 1HD LYS 11 2.905 -5.675 -1.327 68 HD3 LYS 11 2HD LYS 11 2.371 -5.047 0.255 69 HE2 LYS 11 1HE LYS 11 2.923 -7.208 1.304 70 HE3 LYS 11 2HE LYS 11 3.452 -7.842 -0.265 71 HZ1 LYS 11 3HZ LYS 11 5.131 -6.058 -0.321 72 HZ2 LYS 11 1HZ LYS 11 5.341 -6.983 1.018 73 HZ3 LYS 11 2HZ LYS 11 4.635 -5.500 1.129 74 H CYS 12 H CYS 12 0.906 -2.816 0.344 75 HA CYS 12 HA CYS 12 2.394 -0.817 -0.896 76 HB2 CYS 12 1HB CYS 12 1.713 -0.918 1.449 77 HB3 CYS 12 2HB CYS 12 2.811 -2.275 1.737 78 H SER 13 H SER 13 4.281 -0.655 -1.920 79 HA SER 13 HA SER 13 5.843 -2.965 -2.648 80 HB2 SER 13 1HB SER 13 6.521 -0.016 -2.968 81 HB3 SER 13 2HB SER 13 7.254 -1.373 -3.843 82 HG SER 13 HG SER 13 5.612 -0.361 -5.077 83 H LEU 14 H LEU 14 5.849 -1.327 0.240 84 HA LEU 14 HA LEU 14 8.798 -1.583 0.740 85 HB2 LEU 14 1HB LEU 14 6.791 0.330 1.980 86 HB3 LEU 14 2HB LEU 14 8.527 0.371 2.167 87 HG LEU 14 HG LEU 14 7.106 0.809 -0.510 88 HD11 LEU 14 1HD1 LEU 14 6.488 2.572 0.985 89 HD12 LEU 14 2HD1 LEU 14 7.606 3.181 -0.235 90 HD13 LEU 14 3HD1 LEU 14 8.198 2.859 1.417 91 HD21 LEU 14 3HD2 LEU 14 9.979 1.332 0.352 92 HD22 LEU 14 1HD2 LEU 14 9.271 1.730 -1.232 93 HD23 LEU 14 2HD2 LEU 14 9.436 0.039 -0.742 94 H CYS 15 H CYS 15 5.582 -1.927 2.173 95 HA CYS 15 HA CYS 15 6.696 -3.750 4.259 96 HB2 CYS 15 1HB CYS 15 5.658 -2.649 6.007 97 HB3 CYS 15 2HB CYS 15 6.353 -1.372 5.042 98 H GLU 16 H GLU 16 4.560 -4.477 5.626 99 HA GLU 16 HA GLU 16 3.186 -6.270 3.724 100 HB2 GLU 16 1HB GLU 16 4.441 -6.947 5.904 101 HB3 GLU 16 2HB GLU 16 2.995 -6.387 6.748 102 HG2 GLU 16 1HG GLU 16 1.643 -8.079 5.529 103 HG3 GLU 16 2HG GLU 16 3.047 -8.517 4.556 104 H TYR 17 H TYR 17 2.471 -3.268 4.546 105 HA TYR 17 HA TYR 17 -0.344 -3.418 5.199 106 HB2 TYR 17 1HB TYR 17 1.046 -1.428 5.455 107 HB3 TYR 17 2HB TYR 17 1.317 -1.343 3.734 108 HD1 TYR 17 1HD TYR 17 -0.497 -0.581 2.204 109 HD2 TYR 17 2HD TYR 17 -1.075 -0.711 6.471 110 HE1 TYR 17 1HE TYR 17 -2.441 0.990 1.976 111 HE2 TYR 17 2HE TYR 17 -3.025 0.833 6.243 112 HH TYR 17 HH TYR 17 -4.057 2.167 3.101 113 H ALA 18 H ALA 18 -2.143 -3.589 3.962 114 HA ALA 18 HA ALA 18 -1.984 -3.114 1.127 115 HB1 ALA 18 1HB ALA 18 -3.012 -5.833 2.023 116 HB2 ALA 18 2HB ALA 18 -2.862 -5.220 0.349 117 HB3 ALA 18 3HB ALA 18 -1.407 -5.557 1.324 118 H THR 19 H THR 19 -3.980 -2.767 0.102 119 HA THR 19 HA THR 19 -6.434 -2.590 1.775 120 HB THR 19 HB THR 19 -5.242 -0.459 2.112 121 HG1 THR 19 1HG THR 19 -7.504 -0.426 1.963 122 HG21 THR 19 3HG2 THR 19 -4.873 1.094 0.335 123 HG22 THR 19 1HG2 THR 19 -5.354 -0.096 -0.890 124 HG23 THR 19 2HG2 THR 19 -3.895 -0.350 0.100 125 H ARG 20 H ARG 20 -8.350 -2.053 0.559 126 HA ARG 20 HA ARG 20 -8.484 -3.324 -2.098 127 HB2 ARG 20 1HB ARG 20 -10.665 -2.174 -0.338 128 HB3 ARG 20 2HB ARG 20 -10.919 -3.086 -1.817 129 HG2 ARG 20 1HG ARG 20 -9.671 -4.156 0.750 130 HG3 ARG 20 2HG ARG 20 -11.312 -4.444 0.202 131 HD2 ARG 20 1HD ARG 20 -8.811 -5.414 -1.250 132 HD3 ARG 20 2HD ARG 20 -9.789 -6.366 -0.145 133 HE ARG 20 HE ARG 20 -11.290 -5.203 -2.381 134 HH11 ARG 20 2HH1 ARG 20 -9.541 -8.076 -1.318 135 HH12 ARG 20 1HH1 ARG 20 -10.274 -9.074 -2.532 136 HH21 ARG 20 2HH2 ARG 20 -12.187 -6.554 -3.904 137 HH22 ARG 20 1HH2 ARG 20 -11.727 -8.230 -3.955 138 H SER 21 H SER 21 -7.927 -0.146 -1.076 139 HA SER 21 HA SER 21 -8.943 0.947 -3.688 140 HB2 SER 21 1HB SER 21 -8.926 2.278 -0.962 141 HB3 SER 21 2HB SER 21 -9.385 3.054 -2.492 142 HG SER 21 HG SER 21 -11.208 2.252 -1.336 143 H LYS 22 H LYS 22 -7.447 1.780 -4.980 144 HA LYS 22 HA LYS 22 -4.694 1.890 -4.391 145 HB2 LYS 22 1HB LYS 22 -5.782 1.735 -6.648 146 HB3 LYS 22 2HB LYS 22 -6.179 3.452 -6.551 147 HG2 LYS 22 1HG LYS 22 -3.722 3.964 -6.337 148 HG3 LYS 22 2HG LYS 22 -3.370 2.240 -6.516 149 HD2 LYS 22 1HD LYS 22 -4.781 3.992 -8.582 150 HD3 LYS 22 2HD LYS 22 -3.063 3.567 -8.603 151 HE2 LYS 22 1HE LYS 22 -3.649 1.161 -8.768 152 HE3 LYS 22 2HE LYS 22 -5.369 1.575 -8.776 153 HZ1 LYS 22 3HZ LYS 22 -4.528 1.264 -11.032 154 HZ2 LYS 22 1HZ LYS 22 -3.403 2.429 -10.836 155 HZ3 LYS 22 2HZ LYS 22 -4.991 2.815 -10.843 156 H SER 23 H SER 23 -7.036 4.582 -4.360 157 HA SER 23 HA SER 23 -5.221 6.665 -3.712 158 HB2 SER 23 1HB SER 23 -8.170 6.400 -3.007 159 HB3 SER 23 2HB SER 23 -7.223 7.902 -2.981 160 HG SER 23 HG SER 23 -8.394 7.613 -4.958 161 H ASN 24 H ASN 24 -6.522 4.150 -1.626 162 HA ASN 24 HA ASN 24 -5.800 5.575 0.849 163 HB2 ASN 24 1HB ASN 24 -7.798 4.055 0.673 164 HB3 ASN 24 2HB ASN 24 -6.693 2.697 0.430 165 HD21 ASN 24 1HD2 ASN 24 -6.922 1.555 2.289 166 HD22 ASN 24 2HD2 ASN 24 -6.648 2.228 3.897 167 H LEU 25 H LEU 25 -4.505 2.762 -1.076 168 HA LEU 25 HA LEU 25 -2.157 2.502 0.478 169 HB2 LEU 25 1HB LEU 25 -2.664 0.824 -1.199 170 HB3 LEU 25 2HB LEU 25 -2.526 1.997 -2.506 171 HG LEU 25 HG LEU 25 -0.163 2.230 -2.055 172 HD11 LEU 25 1HD1 LEU 25 1.040 0.854 -0.402 173 HD12 LEU 25 2HD1 LEU 25 -0.505 0.160 0.142 174 HD13 LEU 25 3HD1 LEU 25 -0.128 1.879 0.410 175 HD21 LEU 25 3HD2 LEU 25 -0.798 0.428 -3.571 176 HD22 LEU 25 1HD2 LEU 25 -0.839 -0.703 -2.188 177 HD23 LEU 25 2HD2 LEU 25 0.687 0.052 -2.682 178 H LYS 26 H LYS 26 -2.709 4.583 -2.322 179 HA LYS 26 HA LYS 26 -0.254 5.946 -2.579 180 HB2 LYS 26 1HB LYS 26 -2.259 6.272 -4.002 181 HB3 LYS 26 2HB LYS 26 -3.092 7.037 -2.656 182 HG2 LYS 26 1HG LYS 26 -1.199 8.842 -2.734 183 HG3 LYS 26 2HG LYS 26 -0.771 8.102 -4.282 184 HD2 LYS 26 1HD LYS 26 -2.236 9.871 -4.831 185 HD3 LYS 26 2HD LYS 26 -3.249 8.412 -4.922 186 HE2 LYS 26 1HE LYS 26 -4.138 8.898 -2.648 187 HE3 LYS 26 2HE LYS 26 -3.096 10.322 -2.542 188 HZ1 LYS 26 3HZ LYS 26 -5.262 9.958 -4.550 189 HZ2 LYS 26 1HZ LYS 26 -4.300 11.272 -4.431 190 HZ3 LYS 26 2HZ LYS 26 -5.347 10.920 -3.233 191 H ALA 27 H ALA 27 -2.819 6.603 -0.255 192 HA ALA 27 HA ALA 27 -1.517 8.849 1.049 193 HB1 ALA 27 1HB ALA 27 -3.338 8.655 2.664 194 HB2 ALA 27 2HB ALA 27 -3.971 8.516 1.010 195 HB3 ALA 27 3HB ALA 27 -3.785 7.061 2.019 196 H HIS 28 H HIS 28 -1.584 5.341 1.691 197 HA HIS 28 HA HIS 28 -0.084 5.443 4.171 198 HB2 HIS 28 1HB HIS 28 -1.471 3.582 3.789 199 HB3 HIS 28 2HB HIS 28 -0.800 3.285 2.190 200 HD1 HIS 28 1HD HIS 28 0.040 2.701 5.870 201 HD2 HIS 28 2HD HIS 28 1.577 2.059 2.013 202 HE1 HIS 28 1HE HIS 28 2.047 1.177 6.169 203 H MET 29 H MET 29 0.839 5.039 0.725 204 HA MET 29 HA MET 29 3.598 4.486 1.124 205 HB2 MET 29 1HB MET 29 2.300 5.960 -1.193 206 HB3 MET 29 2HB MET 29 3.892 5.214 -1.201 207 HG2 MET 29 1HG MET 29 1.888 3.221 -0.404 208 HG3 MET 29 2HG MET 29 1.377 4.076 -1.816 209 HE1 MET 29 3HE MET 29 5.147 1.516 -1.601 210 HE2 MET 29 1HE MET 29 5.059 3.124 -0.839 211 HE3 MET 29 2HE MET 29 3.980 1.824 -0.290 212 H ASN 30 H ASN 30 1.873 7.594 0.977 213 HA ASN 30 HA ASN 30 4.178 9.298 1.096 214 HB2 ASN 30 1HB ASN 30 1.222 9.624 1.695 215 HB3 ASN 30 2HB ASN 30 2.360 10.880 2.170 216 HD21 ASN 30 1HD2 ASN 30 1.135 9.105 -0.718 217 HD22 ASN 30 2HD2 ASN 30 1.657 10.372 -1.821 218 H ARG 31 H ARG 31 2.700 7.364 3.642 219 HA ARG 31 HA ARG 31 3.940 8.805 5.872 220 HB2 ARG 31 1HB ARG 31 3.024 5.910 5.842 221 HB3 ARG 31 2HB ARG 31 3.246 6.953 7.240 222 HG2 ARG 31 1HG ARG 31 1.349 8.378 6.536 223 HG3 ARG 31 2HG ARG 31 1.123 7.369 5.098 224 HD2 ARG 31 1HD ARG 31 0.776 5.388 6.606 225 HD3 ARG 31 2HD ARG 31 0.770 6.511 7.985 226 HE ARG 31 HE ARG 31 -1.080 7.489 6.076 227 HH11 ARG 31 2HH1 ARG 31 -0.857 4.732 8.225 228 HH12 ARG 31 1HH1 ARG 31 -2.581 4.484 8.234 229 HH21 ARG 31 2HH2 ARG 31 -3.275 7.139 6.164 230 HH22 ARG 31 1HH2 ARG 31 -3.907 5.820 7.100 231 H HIS 32 H HIS 32 5.005 6.351 3.616 232 HA HIS 32 HA HIS 32 7.468 5.776 5.122 233 HB2 HIS 32 1HB HIS 32 6.610 5.052 2.294 234 HB3 HIS 32 2HB HIS 32 8.126 4.587 3.040 235 HD1 HIS 32 1HD HIS 32 7.846 2.955 5.319 236 HD2 HIS 32 2HD HIS 32 4.699 3.281 2.552 237 HE1 HIS 32 1HE HIS 32 6.438 0.871 5.630 238 H SER 33 H SER 33 6.385 7.968 2.532 239 HA SER 33 HA SER 33 8.963 8.909 1.721 240 HB2 SER 33 1HB SER 33 6.310 10.392 1.618 241 HB3 SER 33 2HB SER 33 7.750 10.737 0.660 242 HG SER 33 HG SER 33 7.517 8.707 -0.348 243 H THR 34 H THR 34 6.791 10.014 4.352 244 HA THR 34 HA THR 34 8.491 12.311 5.007 245 HB THR 34 HB THR 34 7.003 12.545 6.983 246 HG1 THR 34 1HG THR 34 5.133 11.281 7.019 247 HG21 THR 34 3HG2 THR 34 5.531 12.291 4.325 248 HG22 THR 34 1HG2 THR 34 6.491 13.690 4.848 249 HG23 THR 34 2HG2 THR 34 5.023 13.246 5.733 250 H GLU 35 H GLU 35 9.536 12.641 7.041 251 HA GLU 35 HA GLU 35 10.503 10.208 8.469 252 HB2 GLU 35 1HB GLU 35 12.261 12.398 7.282 253 HB3 GLU 35 2HB GLU 35 12.804 11.147 8.406 254 HG2 GLU 35 1HG GLU 35 12.129 9.393 6.757 255 HG3 GLU 35 2HG GLU 35 11.717 10.665 5.602 256 H LYS 36 H LYS 36 11.463 10.636 10.527 257 HA LYS 36 HA LYS 36 10.893 13.252 11.829 258 HB2 LYS 36 1HB LYS 36 10.021 10.523 12.875 259 HB3 LYS 36 2HB LYS 36 10.049 12.012 13.826 260 HG2 LYS 36 1HG LYS 36 8.441 13.060 12.231 261 HG3 LYS 36 2HG LYS 36 8.357 11.526 11.339 262 HD2 LYS 36 1HD LYS 36 7.498 10.382 13.373 263 HD3 LYS 36 2HD LYS 36 7.643 11.891 14.280 264 HE2 LYS 36 1HE LYS 36 5.345 11.653 13.701 265 HE3 LYS 36 2HE LYS 36 6.007 12.973 12.733 266 HZ1 LYS 36 3HZ LYS 36 6.149 11.425 10.849 267 HZ2 LYS 36 1HZ LYS 36 4.618 11.469 11.411 268 HZ3 LYS 36 2HZ LYS 36 5.571 10.193 11.760 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -10.296 -16.971 11.544 2 H2 GLY 1 2H GLY 1 -10.198 -16.913 9.909 3 H3 GLY 1 3H GLY 1 -9.417 -15.796 10.815 4 HA2 GLY 1 1HA GLY 1 -7.947 -17.460 11.731 5 HA3 GLY 1 2HA GLY 1 -8.805 -18.682 10.776 6 H SER 2 H SER 2 -5.956 -17.950 10.708 7 HA SER 2 HA SER 2 -5.242 -16.222 8.631 8 HB2 SER 2 1HB SER 2 -3.734 -18.693 9.561 9 HB3 SER 2 2HB SER 2 -3.050 -17.270 8.751 10 HG SER 2 HG SER 2 -2.786 -17.179 11.035 11 H SER 3 H SER 3 -6.375 -19.521 8.285 12 HA SER 3 HA SER 3 -5.414 -19.875 5.554 13 HB2 SER 3 1HB SER 3 -7.448 -21.497 7.120 14 HB3 SER 3 2HB SER 3 -6.619 -21.985 5.629 15 HG SER 3 HG SER 3 -5.609 -22.854 7.498 16 H GLY 4 H GLY 4 -7.784 -17.837 6.598 17 HA2 GLY 4 1HA GLY 4 -10.052 -18.407 4.982 18 HA3 GLY 4 2HA GLY 4 -9.627 -16.839 5.659 19 H SER 5 H SER 5 -10.924 -17.089 3.242 20 HA SER 5 HA SER 5 -9.089 -17.051 0.989 21 HB2 SER 5 1HB SER 5 -11.177 -16.820 -0.328 22 HB3 SER 5 2HB SER 5 -11.199 -18.181 0.802 23 HG SER 5 HG SER 5 -13.152 -16.954 0.865 24 H SER 6 H SER 6 -9.703 -14.589 3.099 25 HA SER 6 HA SER 6 -10.285 -12.354 1.424 26 HB2 SER 6 1HB SER 6 -10.534 -12.317 3.853 27 HB3 SER 6 2HB SER 6 -8.777 -12.447 4.059 28 HG SER 6 HG SER 6 -9.913 -10.263 4.063 29 H GLY 7 H GLY 7 -9.041 -10.817 0.434 30 HA2 GLY 7 1HA GLY 7 -6.144 -10.756 0.491 31 HA3 GLY 7 2HA GLY 7 -6.767 -11.417 -1.027 32 H LYS 8 H LYS 8 -5.252 -9.014 -0.678 33 HA LYS 8 HA LYS 8 -7.218 -6.851 -1.279 34 HB2 LYS 8 1HB LYS 8 -4.783 -6.877 0.484 35 HB3 LYS 8 2HB LYS 8 -5.184 -5.408 -0.388 36 HG2 LYS 8 1HG LYS 8 -6.090 -5.265 1.808 37 HG3 LYS 8 2HG LYS 8 -7.376 -5.280 0.615 38 HD2 LYS 8 1HD LYS 8 -7.966 -6.490 2.645 39 HD3 LYS 8 2HD LYS 8 -8.001 -7.555 1.250 40 HE2 LYS 8 1HE LYS 8 -5.814 -8.510 1.883 41 HE3 LYS 8 2HE LYS 8 -5.658 -7.337 3.196 42 HZ1 LYS 8 3HZ LYS 8 -7.565 -8.344 4.281 43 HZ2 LYS 8 1HZ LYS 8 -6.460 -9.504 3.992 44 HZ3 LYS 8 2HZ LYS 8 -7.806 -9.407 3.069 45 HA PRO 9 HA PRO 9 -5.167 -6.472 -5.171 46 HB2 PRO 9 1HB PRO 9 -6.081 -4.046 -6.029 47 HB3 PRO 9 2HB PRO 9 -7.106 -5.512 -5.909 48 HG2 PRO 9 1HG PRO 9 -6.765 -3.328 -3.821 49 HG3 PRO 9 2HG PRO 9 -8.308 -3.952 -4.512 50 HD2 PRO 9 1HD PRO 9 -7.280 -4.835 -2.175 51 HD3 PRO 9 2HD PRO 9 -8.048 -5.992 -3.320 52 H PHE 10 H PHE 10 -4.829 -3.646 -2.938 53 HA PHE 10 HA PHE 10 -2.278 -2.878 -4.297 54 HB2 PHE 10 1HB PHE 10 -4.073 -1.196 -2.559 55 HB3 PHE 10 2HB PHE 10 -2.691 -0.670 -3.487 56 HD1 PHE 10 1HD PHE 10 -2.682 -1.086 -6.045 57 HD2 PHE 10 2HD PHE 10 -6.232 -1.112 -3.608 58 HE1 PHE 10 1HE PHE 10 -4.069 -0.869 -8.076 59 HE2 PHE 10 2HE PHE 10 -7.636 -0.949 -5.654 60 HZ PHE 10 HZ PHE 10 -6.557 -0.795 -7.894 61 H LYS 11 H LYS 11 -0.998 -4.220 -3.458 62 HA LYS 11 HA LYS 11 -0.325 -4.283 -0.577 63 HB2 LYS 11 1HB LYS 11 -0.314 -6.376 -1.845 64 HB3 LYS 11 2HB LYS 11 0.788 -5.698 -3.037 65 HG2 LYS 11 1HG LYS 11 1.920 -7.247 -1.525 66 HG3 LYS 11 2HG LYS 11 2.608 -5.631 -1.413 67 HD2 LYS 11 1HD LYS 11 1.615 -5.271 0.740 68 HD3 LYS 11 2HD LYS 11 0.486 -6.622 0.520 69 HE2 LYS 11 1HE LYS 11 2.152 -7.323 2.063 70 HE3 LYS 11 2HE LYS 11 2.378 -8.218 0.563 71 HZ1 LYS 11 3HZ LYS 11 4.431 -7.362 1.586 72 HZ2 LYS 11 1HZ LYS 11 3.971 -5.812 1.308 73 HZ3 LYS 11 2HZ LYS 11 4.257 -6.813 0.036 74 H CYS 12 H CYS 12 0.967 -2.905 0.263 75 HA CYS 12 HA CYS 12 2.525 -0.868 -0.909 76 HB2 CYS 12 1HB CYS 12 1.786 -0.960 1.414 77 HB3 CYS 12 2HB CYS 12 2.796 -2.381 1.707 78 H SER 13 H SER 13 4.488 -0.731 -1.755 79 HA SER 13 HA SER 13 5.982 -3.114 -2.512 80 HB2 SER 13 1HB SER 13 6.660 -0.171 -2.877 81 HB3 SER 13 2HB SER 13 7.445 -1.539 -3.690 82 HG SER 13 HG SER 13 5.829 -0.575 -5.002 83 H LEU 14 H LEU 14 5.965 -1.385 0.335 84 HA LEU 14 HA LEU 14 8.906 -1.668 0.884 85 HB2 LEU 14 1HB LEU 14 6.878 0.228 2.115 86 HB3 LEU 14 2HB LEU 14 8.609 0.262 2.345 87 HG LEU 14 HG LEU 14 7.282 0.732 -0.371 88 HD11 LEU 14 1HD1 LEU 14 8.299 2.791 1.600 89 HD12 LEU 14 2HD1 LEU 14 6.601 2.473 1.159 90 HD13 LEU 14 3HD1 LEU 14 7.706 3.103 -0.057 91 HD21 LEU 14 3HD2 LEU 14 10.112 1.260 0.613 92 HD22 LEU 14 1HD2 LEU 14 9.466 1.686 -0.989 93 HD23 LEU 14 2HD2 LEU 14 9.617 -0.014 -0.524 94 H CYS 15 H CYS 15 5.668 -2.033 2.225 95 HA CYS 15 HA CYS 15 6.709 -3.897 4.302 96 HB2 CYS 15 1HB CYS 15 5.603 -2.866 6.043 97 HB3 CYS 15 2HB CYS 15 6.354 -1.542 5.175 98 H GLU 16 H GLU 16 4.539 -4.643 5.568 99 HA GLU 16 HA GLU 16 3.191 -6.309 3.545 100 HB2 GLU 16 1HB GLU 16 4.380 -6.952 5.941 101 HB3 GLU 16 2HB GLU 16 2.718 -6.751 6.454 102 HG2 GLU 16 1HG GLU 16 2.873 -9.032 5.920 103 HG3 GLU 16 2HG GLU 16 2.148 -8.373 4.458 104 H TYR 17 H TYR 17 2.472 -3.383 4.491 105 HA TYR 17 HA TYR 17 -0.342 -3.516 5.142 106 HB2 TYR 17 1HB TYR 17 1.034 -1.525 5.421 107 HB3 TYR 17 2HB TYR 17 1.370 -1.458 3.712 108 HD1 TYR 17 1HD TYR 17 -0.391 -0.755 2.090 109 HD2 TYR 17 2HD TYR 17 -1.069 -0.638 6.342 110 HE1 TYR 17 1HE TYR 17 -2.296 0.825 1.741 111 HE2 TYR 17 2HE TYR 17 -2.967 0.940 5.988 112 HH TYR 17 HH TYR 17 -4.242 2.076 4.463 113 H ALA 18 H ALA 18 -2.145 -3.692 3.914 114 HA ALA 18 HA ALA 18 -1.987 -3.151 1.088 115 HB1 ALA 18 1HB ALA 18 -1.424 -5.587 1.219 116 HB2 ALA 18 2HB ALA 18 -3.012 -5.881 1.947 117 HB3 ALA 18 3HB ALA 18 -2.897 -5.244 0.279 118 H THR 19 H THR 19 -3.970 -2.762 0.069 119 HA THR 19 HA THR 19 -6.407 -2.532 1.772 120 HB THR 19 HB THR 19 -5.090 -0.479 2.102 121 HG1 THR 19 1HG THR 19 -7.202 -0.147 2.213 122 HG21 THR 19 3HG2 THR 19 -3.885 -0.483 -0.083 123 HG22 THR 19 1HG2 THR 19 -4.582 1.042 0.398 124 HG23 THR 19 2HG2 THR 19 -5.386 0.070 -0.861 125 H ARG 20 H ARG 20 -8.309 -1.856 0.587 126 HA ARG 20 HA ARG 20 -8.563 -3.264 -2.001 127 HB2 ARG 20 1HB ARG 20 -10.614 -2.077 -0.116 128 HB3 ARG 20 2HB ARG 20 -11.011 -2.899 -1.613 129 HG2 ARG 20 1HG ARG 20 -9.595 -4.171 0.768 130 HG3 ARG 20 2HG ARG 20 -11.299 -4.333 0.379 131 HD2 ARG 20 1HD ARG 20 -9.003 -5.389 -1.321 132 HD3 ARG 20 2HD ARG 20 -10.030 -6.332 -0.251 133 HE ARG 20 HE ARG 20 -11.599 -4.878 -2.196 134 HH11 ARG 20 2HH1 ARG 20 -9.740 -7.889 -1.872 135 HH12 ARG 20 1HH1 ARG 20 -10.553 -8.578 -3.241 136 HH21 ARG 20 2HH2 ARG 20 -12.567 -5.892 -3.897 137 HH22 ARG 20 1HH2 ARG 20 -12.103 -7.509 -4.330 138 H SER 21 H SER 21 -8.000 -0.032 -1.161 139 HA SER 21 HA SER 21 -8.943 0.864 -3.870 140 HB2 SER 21 1HB SER 21 -9.156 2.427 -1.274 141 HB3 SER 21 2HB SER 21 -9.568 3.022 -2.890 142 HG SER 21 HG SER 21 -11.417 2.261 -1.757 143 H LYS 22 H LYS 22 -7.430 1.859 -5.079 144 HA LYS 22 HA LYS 22 -4.735 1.951 -4.260 145 HB2 LYS 22 1HB LYS 22 -4.254 2.983 -6.384 146 HB3 LYS 22 2HB LYS 22 -5.448 1.715 -6.567 147 HG2 LYS 22 1HG LYS 22 -7.262 3.422 -6.721 148 HG3 LYS 22 2HG LYS 22 -6.059 4.702 -6.514 149 HD2 LYS 22 1HD LYS 22 -6.612 4.507 -8.848 150 HD3 LYS 22 2HD LYS 22 -4.933 4.003 -8.605 151 HE2 LYS 22 1HE LYS 22 -5.633 1.621 -8.696 152 HE3 LYS 22 2HE LYS 22 -7.323 2.117 -8.873 153 HZ1 LYS 22 3HZ LYS 22 -6.718 3.177 -10.983 154 HZ2 LYS 22 1HZ LYS 22 -6.319 1.598 -11.023 155 HZ3 LYS 22 2HZ LYS 22 -5.157 2.724 -10.819 156 H SER 23 H SER 23 -7.098 4.563 -4.095 157 HA SER 23 HA SER 23 -5.313 6.680 -3.437 158 HB2 SER 23 1HB SER 23 -8.214 6.269 -2.619 159 HB3 SER 23 2HB SER 23 -7.315 7.799 -2.529 160 HG SER 23 HG SER 23 -8.560 7.602 -4.470 161 H ASN 24 H ASN 24 -6.536 4.044 -1.410 162 HA ASN 24 HA ASN 24 -5.759 5.292 1.129 163 HB2 ASN 24 1HB ASN 24 -6.397 2.418 0.367 164 HB3 ASN 24 2HB ASN 24 -6.059 2.958 2.001 165 HD21 ASN 24 1HD2 ASN 24 -8.328 1.602 1.398 166 HD22 ASN 24 2HD2 ASN 24 -9.711 2.685 1.590 167 H LEU 25 H LEU 25 -4.353 2.748 -1.038 168 HA LEU 25 HA LEU 25 -1.965 2.510 0.451 169 HB2 LEU 25 1HB LEU 25 -2.554 0.820 -1.190 170 HB3 LEU 25 2HB LEU 25 -2.428 1.977 -2.515 171 HG LEU 25 HG LEU 25 -0.054 2.204 -2.100 172 HD11 LEU 25 1HD1 LEU 25 0.031 1.844 0.352 173 HD12 LEU 25 2HD1 LEU 25 1.178 0.818 -0.485 174 HD13 LEU 25 3HD1 LEU 25 -0.353 0.126 0.094 175 HD21 LEU 25 3HD2 LEU 25 0.769 0.023 -2.750 176 HD22 LEU 25 1HD2 LEU 25 -0.725 0.427 -3.613 177 HD23 LEU 25 2HD2 LEU 25 -0.759 -0.720 -2.242 178 H LYS 26 H LYS 26 -2.638 4.582 -2.353 179 HA LYS 26 HA LYS 26 -0.227 5.966 -2.685 180 HB2 LYS 26 1HB LYS 26 -2.286 6.303 -4.016 181 HB3 LYS 26 2HB LYS 26 -3.093 7.001 -2.617 182 HG2 LYS 26 1HG LYS 26 -1.274 8.877 -2.718 183 HG3 LYS 26 2HG LYS 26 -0.867 8.188 -4.296 184 HD2 LYS 26 1HD LYS 26 -2.416 9.911 -4.759 185 HD3 LYS 26 2HD LYS 26 -3.375 8.416 -4.849 186 HE2 LYS 26 1HE LYS 26 -4.193 8.822 -2.527 187 HE3 LYS 26 2HE LYS 26 -3.222 10.296 -2.447 188 HZ1 LYS 26 3HZ LYS 26 -4.546 11.196 -4.282 189 HZ2 LYS 26 1HZ LYS 26 -5.522 10.790 -3.042 190 HZ3 LYS 26 2HZ LYS 26 -5.448 9.836 -4.367 191 H ALA 27 H ALA 27 -2.690 6.569 -0.220 192 HA ALA 27 HA ALA 27 -1.332 8.818 1.029 193 HB1 ALA 27 1HB ALA 27 -3.785 8.486 1.127 194 HB2 ALA 27 2HB ALA 27 -3.548 7.021 2.107 195 HB3 ALA 27 3HB ALA 27 -3.066 8.602 2.745 196 H HIS 28 H HIS 28 -1.490 5.311 1.772 197 HA HIS 28 HA HIS 28 0.131 5.352 4.139 198 HB2 HIS 28 1HB HIS 28 -1.317 3.540 3.681 199 HB3 HIS 28 2HB HIS 28 -0.607 3.254 2.098 200 HD1 HIS 28 1HD HIS 28 0.145 2.644 5.794 201 HD2 HIS 28 2HD HIS 28 1.707 1.971 1.947 202 HE1 HIS 28 1HE HIS 28 2.070 1.028 6.112 203 H MET 29 H MET 29 0.976 5.046 0.671 204 HA MET 29 HA MET 29 3.807 4.673 1.011 205 HB2 MET 29 1HB MET 29 2.293 5.937 -1.296 206 HB3 MET 29 2HB MET 29 3.938 5.324 -1.362 207 HG2 MET 29 1HG MET 29 1.944 3.289 -0.467 208 HG3 MET 29 2HG MET 29 1.625 3.979 -2.018 209 HE1 MET 29 3HE MET 29 5.252 1.448 -0.990 210 HE2 MET 29 1HE MET 29 5.134 3.141 -0.436 211 HE3 MET 29 2HE MET 29 3.927 1.945 0.091 212 H ASN 30 H ASN 30 1.785 7.588 1.006 213 HA ASN 30 HA ASN 30 4.038 9.448 1.041 214 HB2 ASN 30 1HB ASN 30 1.053 9.710 1.435 215 HB3 ASN 30 2HB ASN 30 2.126 10.997 1.963 216 HD21 ASN 30 1HD2 ASN 30 1.174 9.110 -0.944 217 HD22 ASN 30 2HD2 ASN 30 1.702 10.371 -2.055 218 H ARG 31 H ARG 31 2.272 7.666 3.584 219 HA ARG 31 HA ARG 31 3.571 9.009 5.812 220 HB2 ARG 31 1HB ARG 31 2.575 6.135 5.679 221 HB3 ARG 31 2HB ARG 31 3.055 7.011 7.123 222 HG2 ARG 31 1HG ARG 31 1.227 8.667 6.761 223 HG3 ARG 31 2HG ARG 31 0.725 7.782 5.318 224 HD2 ARG 31 1HD ARG 31 -0.727 7.115 7.072 225 HD3 ARG 31 2HD ARG 31 0.349 5.747 6.729 226 HE ARG 31 HE ARG 31 1.489 7.318 8.828 227 HH11 ARG 31 1HH1 ARG 31 -1.283 5.215 8.412 228 HH12 ARG 31 2HH1 ARG 31 -1.308 4.766 10.096 229 HH21 ARG 31 2HH2 ARG 31 1.400 6.700 10.960 230 HH22 ARG 31 1HH2 ARG 31 0.170 5.594 11.494 231 H HIS 32 H HIS 32 4.506 6.145 3.858 232 HA HIS 32 HA HIS 32 7.025 5.726 5.159 233 HB2 HIS 32 1HB HIS 32 6.034 5.110 2.358 234 HB3 HIS 32 2HB HIS 32 7.670 4.747 2.879 235 HD1 HIS 32 1HD HIS 32 7.680 3.213 5.339 236 HD2 HIS 32 2HD HIS 32 4.500 3.048 2.588 237 HE1 HIS 32 1HE HIS 32 6.626 0.908 5.630 238 H SER 33 H SER 33 6.145 7.865 2.437 239 HA SER 33 HA SER 33 8.697 8.664 1.632 240 HB2 SER 33 1HB SER 33 6.503 9.095 0.485 241 HB3 SER 33 2HB SER 33 6.221 10.427 1.628 242 HG SER 33 HG SER 33 7.193 11.112 -0.359 243 H THR 34 H THR 34 6.861 9.910 4.413 244 HA THR 34 HA THR 34 8.946 11.901 5.030 245 HB THR 34 HB THR 34 6.684 12.546 5.396 246 HG1 THR 34 1HG THR 34 8.193 12.281 7.762 247 HG21 THR 34 3HG2 THR 34 5.514 10.576 6.060 248 HG22 THR 34 1HG2 THR 34 5.408 11.747 7.375 249 HG23 THR 34 2HG2 THR 34 6.523 10.370 7.509 250 H GLU 35 H GLU 35 9.983 9.426 4.746 251 HA GLU 35 HA GLU 35 11.447 7.963 5.571 252 HB2 GLU 35 1HB GLU 35 12.445 10.261 5.945 253 HB3 GLU 35 2HB GLU 35 12.059 10.065 7.651 254 HG2 GLU 35 1HG GLU 35 14.366 9.496 7.326 255 HG3 GLU 35 2HG GLU 35 13.521 8.000 7.685 256 H LYS 36 H LYS 36 9.302 6.893 6.203 257 HA LYS 36 HA LYS 36 9.572 5.840 9.004 258 HB2 LYS 36 1HB LYS 36 6.993 5.978 7.416 259 HB3 LYS 36 2HB LYS 36 7.191 5.381 9.054 260 HG2 LYS 36 1HG LYS 36 7.595 8.263 8.155 261 HG3 LYS 36 2HG LYS 36 6.175 7.627 8.977 262 HD2 LYS 36 1HD LYS 36 7.484 7.146 10.992 263 HD3 LYS 36 2HD LYS 36 8.977 7.664 10.185 264 HE2 LYS 36 1HE LYS 36 8.007 9.925 9.838 265 HE3 LYS 36 2HE LYS 36 6.548 9.427 10.705 266 HZ1 LYS 36 3HZ LYS 36 8.101 10.590 12.170 267 HZ2 LYS 36 1HZ LYS 36 9.285 9.509 11.865 268 HZ3 LYS 36 2HZ LYS 36 7.943 9.047 12.676
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