NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
145043 | 2kec | 16142 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 1 H LYS 1 21.851 -24.223 11.947 2 HA LYS 1 HA LYS 1 22.055 -25.805 9.479 3 HB2 LYS 1 HB2 LYS 1 19.715 -24.332 10.698 4 HB3 LYS 1 HB3 LYS 1 19.736 -24.995 9.083 5 HG2 LYS 1 HG2 LYS 1 19.902 -26.563 11.655 6 HG3 LYS 1 HG3 LYS 1 18.501 -26.418 10.607 7 HD2 LYS 1 HD2 LYS 1 21.134 -27.734 9.899 8 HD3 LYS 1 HD3 LYS 1 19.615 -28.553 10.236 9 HE2 LYS 1 HE2 LYS 1 20.182 -26.708 7.907 10 HE3 LYS 1 HE3 LYS 1 20.031 -28.456 7.844 11 HZ1 LYS 1 HZ1 LYS 1 17.705 -28.239 8.523 12 HZ2 LYS 1 HZ2 LYS 1 18.002 -27.391 7.112 13 HZ3 LYS 1 HZ3 LYS 1 17.853 -26.567 8.566 14 HA PRO 2 HA PRO 2 23.359 -21.843 7.950 15 HB2 PRO 2 HB2 PRO 2 23.628 -22.583 5.341 16 HB3 PRO 2 HB3 PRO 2 24.841 -22.976 6.563 17 HG2 PRO 2 HG2 PRO 2 22.722 -24.693 5.363 18 HG3 PRO 2 HG3 PRO 2 24.371 -25.117 5.844 19 HD2 PRO 2 HD2 PRO 2 22.123 -25.680 7.326 20 HD3 PRO 2 HD3 PRO 2 23.754 -25.529 8.007 21 H VAL 3 H VAL 3 21.729 -20.420 7.925 22 HA VAL 3 HA VAL 3 19.521 -20.832 6.031 23 HB VAL 3 HB VAL 3 19.422 -19.406 8.712 24 HG11 VAL 3 HG11 VAL 3 17.221 -20.003 6.748 25 HG12 VAL 3 HG12 VAL 3 17.904 -18.415 7.085 26 HG13 VAL 3 HG13 VAL 3 17.002 -19.271 8.336 27 HG21 VAL 3 HG21 VAL 3 19.572 -21.824 9.015 28 HG22 VAL 3 HG22 VAL 3 18.223 -22.059 7.903 29 HG23 VAL 3 HG23 VAL 3 17.962 -21.245 9.445 30 H SER 4 H SER 4 19.381 -19.282 4.529 31 HA SER 4 HA SER 4 20.961 -16.870 4.907 32 HB2 SER 4 HB2 SER 4 19.630 -17.991 2.431 33 HB3 SER 4 HB3 SER 4 20.649 -16.551 2.486 34 HG SER 4 HG SER 4 21.687 -18.909 3.540 35 H LEU 5 H LEU 5 19.849 -15.314 5.908 36 HA LEU 5 HA LEU 5 17.025 -14.986 5.346 37 HB2 LEU 5 HB2 LEU 5 18.817 -13.440 7.241 38 HB3 LEU 5 HB3 LEU 5 17.113 -13.138 7.019 39 HG LEU 5 HG LEU 5 16.696 -15.476 7.886 40 HD11 LEU 5 HD11 LEU 5 18.898 -16.436 7.560 41 HD12 LEU 5 HD12 LEU 5 18.426 -16.513 9.258 42 HD13 LEU 5 HD13 LEU 5 19.583 -15.296 8.720 43 HD21 LEU 5 HD21 LEU 5 18.013 -13.487 9.723 44 HD22 LEU 5 HD22 LEU 5 16.961 -14.810 10.225 45 HD23 LEU 5 HD23 LEU 5 16.318 -13.505 9.234 46 H SER 6 H SER 6 16.341 -13.695 3.840 47 HA SER 6 HA SER 6 18.147 -12.184 2.224 48 HB2 SER 6 HB2 SER 6 15.131 -12.254 2.228 49 HB3 SER 6 HB3 SER 6 16.199 -11.773 0.907 50 HG SER 6 HG SER 6 17.049 -14.001 1.085 51 H TYR 7 H TYR 7 17.585 -9.832 1.695 52 HA TYR 7 HA TYR 7 17.220 -8.353 4.096 53 HB2 TYR 7 HB2 TYR 7 17.355 -7.429 1.209 54 HB3 TYR 7 HB3 TYR 7 17.219 -6.329 2.577 55 HD1 TYR 7 HD1 TYR 7 19.084 -6.197 4.229 56 HD2 TYR 7 HD2 TYR 7 19.454 -8.372 0.594 57 HE1 TYR 7 HE1 TYR 7 21.529 -6.173 4.470 58 HE2 TYR 7 HE2 TYR 7 21.899 -8.355 0.831 59 HH TYR 7 HH TYR 7 23.459 -7.505 3.702 60 H ARG 8 H ARG 8 15.380 -8.452 5.000 61 HA ARG 8 HA ARG 8 13.003 -9.195 3.745 62 HB2 ARG 8 HB2 ARG 8 11.876 -8.735 5.897 63 HB3 ARG 8 HB3 ARG 8 13.287 -9.768 6.033 64 HG2 ARG 8 HG2 ARG 8 14.595 -7.927 6.880 65 HG3 ARG 8 HG3 ARG 8 13.222 -6.830 6.659 66 HD2 ARG 8 HD2 ARG 8 11.951 -8.085 8.306 67 HD3 ARG 8 HD3 ARG 8 13.272 -9.243 8.465 68 HE ARG 8 HE ARG 8 14.541 -7.044 9.093 69 HH11 ARG 8 HH11 ARG 8 11.327 -8.095 10.201 70 HH12 ARG 8 HH12 ARG 8 11.407 -7.247 11.660 71 HH21 ARG 8 HH21 ARG 8 14.666 -5.953 11.115 72 HH22 ARG 8 HH22 ARG 8 13.349 -6.029 12.217 73 H CYS 9 H CYS 9 11.274 -8.233 3.108 74 HA CYS 9 HA CYS 9 11.332 -5.310 2.890 75 HB2 CYS 9 HB2 CYS 9 10.003 -7.379 1.144 76 HB3 CYS 9 HB3 CYS 9 9.867 -5.645 0.944 77 HA PRO 10 HA PRO 10 7.514 -5.230 5.294 78 HB2 PRO 10 HB2 PRO 10 6.911 -2.950 3.419 79 HB3 PRO 10 HB3 PRO 10 6.831 -3.005 5.186 80 HG2 PRO 10 HG2 PRO 10 8.820 -1.769 4.001 81 HG3 PRO 10 HG3 PRO 10 9.144 -2.803 5.405 82 HD2 PRO 10 HD2 PRO 10 9.552 -3.380 2.495 83 HD3 PRO 10 HD3 PRO 10 10.613 -3.726 3.883 84 H CYS 11 H CYS 11 7.592 -5.182 1.758 85 HA CYS 11 HA CYS 11 5.033 -6.606 1.758 86 HB2 CYS 11 HB2 CYS 11 6.014 -4.590 -0.235 87 HB3 CYS 11 HB3 CYS 11 4.622 -5.620 -0.502 88 H ARG 12 H ARG 12 4.759 -8.207 0.283 89 HA ARG 12 HA ARG 12 7.194 -9.246 -1.005 90 HB2 ARG 12 HB2 ARG 12 4.653 -10.681 -0.205 91 HB3 ARG 12 HB3 ARG 12 6.035 -11.428 -0.979 92 HG2 ARG 12 HG2 ARG 12 7.406 -10.946 0.979 93 HG3 ARG 12 HG3 ARG 12 6.018 -10.169 1.751 94 HD2 ARG 12 HD2 ARG 12 4.784 -12.272 1.649 95 HD3 ARG 12 HD3 ARG 12 6.164 -13.044 0.872 96 HE ARG 12 HE ARG 12 7.056 -11.924 3.229 97 HH11 ARG 12 HH11 ARG 12 4.764 -14.425 2.279 98 HH12 ARG 12 HH12 ARG 12 5.018 -15.407 3.635 99 HH21 ARG 12 HH21 ARG 12 7.420 -13.257 5.119 100 HH22 ARG 12 HH22 ARG 12 6.561 -14.710 5.317 101 H PHE 13 H PHE 13 3.726 -8.713 -1.341 102 HA PHE 13 HA PHE 13 3.990 -8.789 -4.270 103 HB2 PHE 13 HB2 PHE 13 1.571 -9.451 -2.565 104 HB3 PHE 13 HB3 PHE 13 1.599 -9.414 -4.317 105 HD1 PHE 13 HD1 PHE 13 2.839 -11.166 -5.558 106 HD2 PHE 13 HD2 PHE 13 2.350 -11.317 -1.332 107 HE1 PHE 13 HE1 PHE 13 3.417 -13.558 -5.580 108 HE2 PHE 13 HE2 PHE 13 2.924 -13.706 -1.350 109 HZ PHE 13 HZ PHE 13 3.459 -14.830 -3.479 110 H PHE 14 H PHE 14 2.225 -7.394 -5.280 111 HA PHE 14 HA PHE 14 1.407 -5.105 -3.607 112 HB2 PHE 14 HB2 PHE 14 2.497 -5.005 -6.380 113 HB3 PHE 14 HB3 PHE 14 1.845 -3.625 -5.511 114 HD1 PHE 14 HD1 PHE 14 3.135 -3.269 -3.172 115 HD2 PHE 14 HD2 PHE 14 4.727 -5.160 -6.617 116 HE1 PHE 14 HE1 PHE 14 5.387 -2.771 -2.390 117 HE2 PHE 14 HE2 PHE 14 6.995 -4.672 -5.856 118 HZ PHE 14 HZ PHE 14 7.344 -3.469 -3.732 119 H GLU 15 H GLU 15 -0.598 -4.582 -3.875 120 HA GLU 15 HA GLU 15 -2.199 -6.191 -5.516 121 HB2 GLU 15 HB2 GLU 15 -2.706 -3.889 -3.684 122 HB3 GLU 15 HB3 GLU 15 -3.970 -4.448 -4.771 123 HG2 GLU 15 HG2 GLU 15 -4.142 -5.389 -2.526 124 HG3 GLU 15 HG3 GLU 15 -3.988 -6.587 -3.780 125 H SER 16 H SER 16 -3.009 -5.844 -7.325 126 HA SER 16 HA SER 16 -1.969 -3.551 -8.853 127 HB2 SER 16 HB2 SER 16 -2.679 -6.319 -9.819 128 HB3 SER 16 HB3 SER 16 -1.917 -5.035 -10.766 129 HG SER 16 HG SER 16 -0.766 -5.863 -8.343 130 H HIS 17 H HIS 17 -4.638 -4.199 -7.381 131 HA HIS 17 HA HIS 17 -6.246 -2.698 -9.208 132 HB2 HIS 17 HB2 HIS 17 -6.621 -5.042 -10.004 133 HB3 HIS 17 HB3 HIS 17 -7.121 -5.488 -8.383 134 HD1 HIS 17 HD1 HIS 17 -8.293 -3.732 -11.468 135 HD2 HIS 17 HD2 HIS 17 -9.740 -4.750 -7.712 136 HE1 HIS 17 HE1 HIS 17 -10.766 -3.357 -11.573 137 HE2 HIS 17 HE2 HIS 17 -11.538 -3.670 -9.215 138 H VAL 18 H VAL 18 -6.314 -1.177 -7.621 139 HA VAL 18 HA VAL 18 -7.620 -1.966 -5.110 140 HB VAL 18 HB VAL 18 -5.483 0.152 -5.405 141 HG11 VAL 18 HG11 VAL 18 -6.811 -0.954 -2.917 142 HG12 VAL 18 HG12 VAL 18 -7.048 0.653 -3.595 143 HG13 VAL 18 HG13 VAL 18 -5.480 0.202 -2.928 144 HG21 VAL 18 HG21 VAL 18 -4.021 -1.348 -4.122 145 HG22 VAL 18 HG22 VAL 18 -4.501 -2.047 -5.667 146 HG23 VAL 18 HG23 VAL 18 -5.269 -2.592 -4.173 147 H ALA 19 H ALA 19 -9.191 -0.423 -4.308 148 HA ALA 19 HA ALA 19 -9.882 1.541 -6.307 149 HB1 ALA 19 HB1 ALA 19 -11.507 0.410 -4.028 150 HB2 ALA 19 HB2 ALA 19 -11.633 -0.057 -5.723 151 HB3 ALA 19 HB3 ALA 19 -12.085 1.571 -5.222 152 H ARG 20 H ARG 20 -9.569 3.628 -5.875 153 HA ARG 20 HA ARG 20 -8.236 4.629 -3.630 154 HB2 ARG 20 HB2 ARG 20 -8.255 5.907 -5.659 155 HB3 ARG 20 HB3 ARG 20 -10.006 5.992 -5.668 156 HG2 ARG 20 HG2 ARG 20 -9.135 8.120 -5.042 157 HG3 ARG 20 HG3 ARG 20 -9.920 7.397 -3.647 158 HD2 ARG 20 HD2 ARG 20 -7.634 6.668 -2.865 159 HD3 ARG 20 HD3 ARG 20 -6.967 7.630 -4.191 160 HE ARG 20 HE ARG 20 -8.806 9.021 -2.453 161 HH11 ARG 20 HH11 ARG 20 -5.377 8.445 -3.132 162 HH12 ARG 20 HH12 ARG 20 -4.836 9.755 -2.170 163 HH21 ARG 20 HH21 ARG 20 -8.037 10.748 -1.122 164 HH22 ARG 20 HH22 ARG 20 -6.366 11.085 -1.005 165 H ALA 21 H ALA 21 -11.635 4.247 -4.288 166 HA ALA 21 HA ALA 21 -12.642 5.746 -2.116 167 HB1 ALA 21 HB1 ALA 21 -13.935 3.484 -3.629 168 HB2 ALA 21 HB2 ALA 21 -13.994 5.189 -4.078 169 HB3 ALA 21 HB3 ALA 21 -14.756 4.641 -2.585 170 H ASN 22 H ASN 22 -11.092 2.672 -2.216 171 HA ASN 22 HA ASN 22 -12.302 1.911 0.342 172 HB2 ASN 22 HB2 ASN 22 -12.376 0.290 -1.565 173 HB3 ASN 22 HB3 ASN 22 -10.620 0.250 -1.517 174 HD21 ASN 22 HD21 ASN 22 -10.478 -1.784 -0.971 175 HD22 ASN 22 HD22 ASN 22 -10.942 -2.504 0.519 176 H VAL 23 H VAL 23 -9.806 3.780 -0.579 177 HA VAL 23 HA VAL 23 -7.905 2.503 1.225 178 HB VAL 23 HB VAL 23 -7.552 4.799 -0.680 179 HG11 VAL 23 HG11 VAL 23 -5.151 4.601 -0.122 180 HG12 VAL 23 HG12 VAL 23 -5.567 3.434 1.149 181 HG13 VAL 23 HG13 VAL 23 -6.118 5.097 1.260 182 HG21 VAL 23 HG21 VAL 23 -6.117 3.219 -1.883 183 HG22 VAL 23 HG22 VAL 23 -7.780 2.649 -1.772 184 HG23 VAL 23 HG23 VAL 23 -6.540 1.966 -0.722 185 H LYS 24 H LYS 24 -7.752 3.008 3.148 186 HA LYS 24 HA LYS 24 -8.945 5.213 4.515 187 HB2 LYS 24 HB2 LYS 24 -6.966 3.087 5.225 188 HB3 LYS 24 HB3 LYS 24 -7.320 4.385 6.350 189 HG2 LYS 24 HG2 LYS 24 -9.415 2.571 5.217 190 HG3 LYS 24 HG3 LYS 24 -8.524 2.194 6.693 191 HD2 LYS 24 HD2 LYS 24 -9.232 4.334 7.642 192 HD3 LYS 24 HD3 LYS 24 -10.203 4.651 6.207 193 HE2 LYS 24 HE2 LYS 24 -11.600 2.735 6.687 194 HE3 LYS 24 HE3 LYS 24 -10.565 2.276 8.042 195 HZ1 LYS 24 HZ1 LYS 24 -12.160 4.769 7.839 196 HZ2 LYS 24 HZ2 LYS 24 -11.198 4.328 9.143 197 HZ3 LYS 24 HZ3 LYS 24 -12.563 3.428 8.774 198 H HIS 25 H HIS 25 -5.571 4.246 4.070 199 HA HIS 25 HA HIS 25 -4.831 7.033 3.948 200 HB2 HIS 25 HB2 HIS 25 -3.004 6.713 5.571 201 HB3 HIS 25 HB3 HIS 25 -4.598 6.618 6.374 202 HD1 HIS 25 HD1 HIS 25 -2.272 5.898 7.916 203 HD2 HIS 25 HD2 HIS 25 -3.877 3.170 5.253 204 HE1 HIS 25 HE1 HIS 25 -1.407 3.688 8.650 205 HE2 HIS 25 HE2 HIS 25 -2.653 2.057 7.296 206 H LEU 26 H LEU 26 -3.048 7.493 2.785 207 HA LEU 26 HA LEU 26 -1.829 5.259 1.355 208 HB2 LEU 26 HB2 LEU 26 -1.878 8.227 0.757 209 HB3 LEU 26 HB3 LEU 26 -0.914 7.086 -0.135 210 HG LEU 26 HG LEU 26 -2.807 7.663 -1.422 211 HD11 LEU 26 HD11 LEU 26 -3.865 5.494 -1.807 212 HD12 LEU 26 HD12 LEU 26 -3.123 4.895 -0.320 213 HD13 LEU 26 HD13 LEU 26 -2.112 5.409 -1.663 214 HD21 LEU 26 HD21 LEU 26 -4.317 8.461 0.298 215 HD22 LEU 26 HD22 LEU 26 -4.535 6.822 0.909 216 HD23 LEU 26 HD23 LEU 26 -5.126 7.252 -0.695 217 H LYS 27 H LYS 27 0.221 4.748 1.684 218 HA LYS 27 HA LYS 27 2.039 6.681 2.861 219 HB2 LYS 27 HB2 LYS 27 1.121 5.422 4.740 220 HB3 LYS 27 HB3 LYS 27 1.369 3.921 3.890 221 HG2 LYS 27 HG2 LYS 27 3.765 4.151 4.092 222 HG3 LYS 27 HG3 LYS 27 3.578 5.736 4.850 223 HD2 LYS 27 HD2 LYS 27 3.981 3.935 6.510 224 HD3 LYS 27 HD3 LYS 27 2.425 4.746 6.718 225 HE2 LYS 27 HE2 LYS 27 1.264 2.901 5.660 226 HE3 LYS 27 HE3 LYS 27 2.797 2.103 5.294 227 HZ1 LYS 27 HZ1 LYS 27 3.151 1.762 7.610 228 HZ2 LYS 27 HZ2 LYS 27 1.625 1.188 7.221 229 HZ3 LYS 27 HZ3 LYS 27 1.794 2.656 8.048 230 H ILE 28 H ILE 28 3.829 6.640 1.559 231 HA ILE 28 HA ILE 28 4.274 4.149 0.081 232 HB ILE 28 HB ILE 28 5.176 6.942 -0.718 233 HG12 ILE 28 HG12 ILE 28 3.021 5.143 -1.835 234 HG13 ILE 28 HG13 ILE 28 2.760 6.659 -0.986 235 HG21 ILE 28 HG21 ILE 28 6.738 5.190 -1.456 236 HG22 ILE 28 HG22 ILE 28 5.849 5.864 -2.833 237 HG23 ILE 28 HG23 ILE 28 5.386 4.300 -2.164 238 HD11 ILE 28 HD11 ILE 28 4.061 6.299 -3.677 239 HD12 ILE 28 HD12 ILE 28 3.852 7.850 -2.851 240 HD13 ILE 28 HD13 ILE 28 2.446 6.906 -3.375 241 H LEU 29 H LEU 29 6.011 3.022 0.494 242 HA LEU 29 HA LEU 29 7.972 4.221 2.298 243 HB2 LEU 29 HB2 LEU 29 6.506 2.640 3.393 244 HB3 LEU 29 HB3 LEU 29 6.853 1.443 2.170 245 HG LEU 29 HG LEU 29 9.119 1.189 2.997 246 HD11 LEU 29 HD11 LEU 29 9.848 2.358 5.040 247 HD12 LEU 29 HD12 LEU 29 8.341 3.279 5.052 248 HD13 LEU 29 HD13 LEU 29 9.507 3.514 3.752 249 HD21 LEU 29 HD21 LEU 29 8.596 0.233 5.168 250 HD22 LEU 29 HD22 LEU 29 7.342 -0.135 3.985 251 HD23 LEU 29 HD23 LEU 29 7.066 1.117 5.198 252 H ASN 30 H ASN 30 9.755 4.623 1.116 253 HA ASN 30 HA ASN 30 10.630 2.675 -0.843 254 HB2 ASN 30 HB2 ASN 30 12.510 4.228 -1.332 255 HB3 ASN 30 HB3 ASN 30 10.969 5.055 -1.442 256 HD21 ASN 30 HD21 ASN 30 10.482 6.654 0.038 257 HD22 ASN 30 HD22 ASN 30 11.654 7.347 1.072 258 H THR 31 H THR 31 12.260 1.252 -0.542 259 HA THR 31 HA THR 31 13.300 1.207 2.185 260 HB THR 31 HB THR 31 12.274 -1.044 0.466 261 HG1 THR 31 HG1 THR 31 11.087 0.686 2.052 262 HG21 THR 31 HG21 THR 31 12.475 -2.394 2.445 263 HG22 THR 31 HG22 THR 31 13.257 -1.064 3.308 264 HG23 THR 31 HG23 THR 31 14.062 -1.812 1.899 265 HA PRO 32 HA PRO 32 17.201 1.570 0.099 266 HB2 PRO 32 HB2 PRO 32 18.755 0.304 2.053 267 HB3 PRO 32 HB3 PRO 32 18.355 2.022 1.993 268 HG2 PRO 32 HG2 PRO 32 17.101 -0.168 3.572 269 HG3 PRO 32 HG3 PRO 32 17.354 1.527 4.004 270 HD2 PRO 32 HD2 PRO 32 14.936 0.611 3.315 271 HD3 PRO 32 HD3 PRO 32 15.493 2.238 2.863 272 H ASN 33 H ASN 33 16.326 -1.607 1.356 273 HA ASN 33 HA ASN 33 18.047 -2.794 -0.732 274 HB2 ASN 33 HB2 ASN 33 17.132 -4.028 1.881 275 HB3 ASN 33 HB3 ASN 33 18.054 -4.855 0.651 276 HD21 ASN 33 HD21 ASN 33 18.106 -2.409 3.090 277 HD22 ASN 33 HD22 ASN 33 19.832 -2.295 3.197 278 H CYS 34 H CYS 34 15.099 -1.850 -0.735 279 HA CYS 34 HA CYS 34 14.146 -4.296 -1.974 280 HB2 CYS 34 HB2 CYS 34 13.119 -3.877 0.515 281 HB3 CYS 34 HB3 CYS 34 12.194 -2.737 -0.404 282 H ALA 35 H ALA 35 11.935 -3.721 -3.005 283 HA ALA 35 HA ALA 35 12.413 -1.610 -4.866 284 HB1 ALA 35 HB1 ALA 35 10.276 -2.326 -5.818 285 HB2 ALA 35 HB2 ALA 35 10.011 -3.344 -4.399 286 HB3 ALA 35 HB3 ALA 35 11.331 -3.715 -5.511 287 H LEU 36 H LEU 36 10.385 -0.184 -5.349 288 HA LEU 36 HA LEU 36 9.904 1.308 -2.970 289 HB2 LEU 36 HB2 LEU 36 10.389 2.413 -5.142 290 HB3 LEU 36 HB3 LEU 36 8.927 1.737 -5.813 291 HG LEU 36 HG LEU 36 8.837 4.198 -5.198 292 HD11 LEU 36 HD11 LEU 36 6.772 2.924 -5.502 293 HD12 LEU 36 HD12 LEU 36 6.606 4.119 -4.207 294 HD13 LEU 36 HD13 LEU 36 6.849 2.418 -3.812 295 HD21 LEU 36 HD21 LEU 36 8.523 4.751 -2.826 296 HD22 LEU 36 HD22 LEU 36 10.118 4.065 -3.142 297 HD23 LEU 36 HD23 LEU 36 8.872 3.072 -2.404 298 H GLN 37 H GLN 37 8.467 0.622 -1.610 299 HA GLN 37 HA GLN 37 6.182 -0.893 -2.575 300 HB2 GLN 37 HB2 GLN 37 7.477 -0.547 0.093 301 HB3 GLN 37 HB3 GLN 37 5.963 -1.396 -0.141 302 HG2 GLN 37 HG2 GLN 37 6.951 -3.205 -1.084 303 HG3 GLN 37 HG3 GLN 37 8.155 -2.227 -1.896 304 HE21 GLN 37 HE21 GLN 37 9.173 -0.862 0.190 305 HE22 GLN 37 HE22 GLN 37 10.056 -1.864 1.203 306 H ILE 38 H ILE 38 4.251 0.008 -2.668 307 HA ILE 38 HA ILE 38 3.741 2.449 -1.144 308 HB ILE 38 HB ILE 38 2.148 1.132 -3.363 309 HG12 ILE 38 HG12 ILE 38 3.824 3.648 -3.409 310 HG13 ILE 38 HG13 ILE 38 4.270 2.105 -4.129 311 HG21 ILE 38 HG21 ILE 38 0.668 2.339 -1.856 312 HG22 ILE 38 HG22 ILE 38 0.794 3.210 -3.386 313 HG23 ILE 38 HG23 ILE 38 1.670 3.778 -1.969 314 HD11 ILE 38 HD11 ILE 38 1.950 3.836 -4.916 315 HD12 ILE 38 HD12 ILE 38 2.379 2.283 -5.649 316 HD13 ILE 38 HD13 ILE 38 3.478 3.669 -5.778 317 H VAL 39 H VAL 39 2.215 2.428 0.455 318 HA VAL 39 HA VAL 39 0.962 -0.151 1.024 319 HB VAL 39 HB VAL 39 2.078 1.846 3.005 320 HG11 VAL 39 HG11 VAL 39 0.843 -0.855 3.434 321 HG12 VAL 39 HG12 VAL 39 0.155 0.707 3.880 322 HG13 VAL 39 HG13 VAL 39 1.607 0.125 4.685 323 HG21 VAL 39 HG21 VAL 39 3.889 0.676 1.879 324 HG22 VAL 39 HG22 VAL 39 3.134 -0.878 2.240 325 HG23 VAL 39 HG23 VAL 39 3.753 0.131 3.549 326 H ALA 40 H ALA 40 -1.164 -0.022 1.462 327 HA ALA 40 HA ALA 40 -2.426 2.522 2.189 328 HB1 ALA 40 HB1 ALA 40 -2.567 2.424 -0.252 329 HB2 ALA 40 HB2 ALA 40 -4.155 2.205 0.491 330 HB3 ALA 40 HB3 ALA 40 -3.274 0.816 -0.139 331 H ARG 41 H ARG 41 -4.200 2.233 3.383 332 HA ARG 41 HA ARG 41 -4.725 -0.576 4.078 333 HB2 ARG 41 HB2 ARG 41 -4.058 1.143 5.991 334 HB3 ARG 41 HB3 ARG 41 -5.611 1.768 5.716 335 HG2 ARG 41 HG2 ARG 41 -6.750 -0.142 6.422 336 HG3 ARG 41 HG3 ARG 41 -5.305 -1.147 6.311 337 HD2 ARG 41 HD2 ARG 41 -4.284 0.121 8.046 338 HD3 ARG 41 HD3 ARG 41 -5.761 1.107 8.233 339 HE ARG 41 HE ARG 41 -6.448 -1.567 8.513 340 HH11 ARG 41 HH11 ARG 41 -4.418 0.750 10.279 341 HH12 ARG 41 HH12 ARG 41 -4.632 -0.024 11.772 342 HH21 ARG 41 HH21 ARG 41 -6.725 -2.616 10.560 343 HH22 ARG 41 HH22 ARG 41 -5.970 -1.967 11.940 344 H LEU 42 H LEU 42 -6.651 -1.388 3.850 345 HA LEU 42 HA LEU 42 -8.428 0.117 2.176 346 HB2 LEU 42 HB2 LEU 42 -8.672 -2.661 3.315 347 HB3 LEU 42 HB3 LEU 42 -9.710 -2.003 2.083 348 HG LEU 42 HG LEU 42 -6.767 -2.590 1.823 349 HD11 LEU 42 HD11 LEU 42 -7.494 -4.219 0.150 350 HD12 LEU 42 HD12 LEU 42 -9.176 -3.895 0.601 351 HD13 LEU 42 HD13 LEU 42 -8.042 -4.559 1.784 352 HD21 LEU 42 HD21 LEU 42 -7.021 -1.970 -0.538 353 HD22 LEU 42 HD22 LEU 42 -7.292 -0.609 0.557 354 HD23 LEU 42 HD23 LEU 42 -8.667 -1.422 -0.191 355 H LYS 43 H LYS 43 -10.614 0.522 2.660 356 HA LYS 43 HA LYS 43 -11.082 1.289 5.389 357 HB2 LYS 43 HB2 LYS 43 -12.659 1.605 2.851 358 HB3 LYS 43 HB3 LYS 43 -13.100 2.306 4.407 359 HG2 LYS 43 HG2 LYS 43 -11.226 3.708 4.427 360 HG3 LYS 43 HG3 LYS 43 -10.464 2.828 3.105 361 HD2 LYS 43 HD2 LYS 43 -11.353 4.959 2.402 362 HD3 LYS 43 HD3 LYS 43 -12.150 3.628 1.576 363 HE2 LYS 43 HE2 LYS 43 -14.017 3.815 3.135 364 HE3 LYS 43 HE3 LYS 43 -13.182 5.162 3.920 365 HZ1 LYS 43 HZ1 LYS 43 -14.857 5.936 2.311 366 HZ2 LYS 43 HZ2 LYS 43 -14.069 5.075 1.094 367 HZ3 LYS 43 HZ3 LYS 43 -13.297 6.381 1.813 368 H ASN 44 H ASN 44 -12.813 -0.605 2.943 369 HA ASN 44 HA ASN 44 -14.660 -1.551 4.881 370 HB2 ASN 44 HB2 ASN 44 -14.222 -2.366 2.011 371 HB3 ASN 44 HB3 ASN 44 -15.512 -3.009 3.027 372 HD21 ASN 44 HD21 ASN 44 -17.195 -1.669 3.611 373 HD22 ASN 44 HD22 ASN 44 -17.508 -0.177 2.805 374 H ASN 45 H ASN 45 -11.800 -2.811 3.408 375 HA ASN 45 HA ASN 45 -12.166 -5.360 4.753 376 HB2 ASN 45 HB2 ASN 45 -11.192 -5.314 2.469 377 HB3 ASN 45 HB3 ASN 45 -9.805 -4.431 3.090 378 HD21 ASN 45 HD21 ASN 45 -8.393 -6.086 2.373 379 HD22 ASN 45 HD22 ASN 45 -8.313 -7.598 3.165 380 H ASN 46 H ASN 46 -10.343 -2.409 5.091 381 HA ASN 46 HA ASN 46 -9.093 -1.445 6.807 382 HB2 ASN 46 HB2 ASN 46 -11.154 -2.247 8.132 383 HB3 ASN 46 HB3 ASN 46 -10.216 -3.676 8.535 384 HD21 ASN 46 HD21 ASN 46 -9.004 -0.346 8.332 385 HD22 ASN 46 HD22 ASN 46 -8.618 -0.220 9.987 386 H ARG 47 H ARG 47 -8.128 -4.013 5.291 387 HA ARG 47 HA ARG 47 -5.956 -4.517 7.056 388 HB2 ARG 47 HB2 ARG 47 -7.086 -5.731 4.615 389 HB3 ARG 47 HB3 ARG 47 -5.509 -6.223 5.246 390 HG2 ARG 47 HG2 ARG 47 -6.501 -6.863 7.338 391 HG3 ARG 47 HG3 ARG 47 -8.070 -6.242 6.819 392 HD2 ARG 47 HD2 ARG 47 -8.287 -7.852 5.209 393 HD3 ARG 47 HD3 ARG 47 -6.560 -8.230 5.338 394 HE ARG 47 HE ARG 47 -7.275 -8.960 7.726 395 HH11 ARG 47 HH11 ARG 47 -9.295 -9.429 4.874 396 HH12 ARG 47 HH12 ARG 47 -10.075 -10.819 5.450 397 HH21 ARG 47 HH21 ARG 47 -8.295 -10.863 8.539 398 HH22 ARG 47 HH22 ARG 47 -9.503 -11.660 7.621 399 H GLN 48 H GLN 48 -3.871 -4.180 6.411 400 HA GLN 48 HA GLN 48 -3.592 -1.952 4.635 401 HB2 GLN 48 HB2 GLN 48 -2.670 -2.058 6.987 402 HB3 GLN 48 HB3 GLN 48 -1.553 -3.292 6.407 403 HG2 GLN 48 HG2 GLN 48 -0.656 -1.710 4.868 404 HG3 GLN 48 HG3 GLN 48 -1.860 -0.537 5.413 405 HE21 GLN 48 HE21 GLN 48 -0.227 -2.696 7.641 406 HE22 GLN 48 HE22 GLN 48 0.700 -1.482 8.418 407 H VAL 49 H VAL 49 -3.041 -2.281 2.610 408 HA VAL 49 HA VAL 49 -1.859 -4.861 1.866 409 HB VAL 49 HB VAL 49 -2.864 -4.567 -0.338 410 HG11 VAL 49 HG11 VAL 49 -5.231 -4.780 0.237 411 HG12 VAL 49 HG12 VAL 49 -4.885 -4.166 1.852 412 HG13 VAL 49 HG13 VAL 49 -4.198 -5.703 1.326 413 HG21 VAL 49 HG21 VAL 49 -2.801 -2.130 -0.513 414 HG22 VAL 49 HG22 VAL 49 -4.048 -1.990 0.728 415 HG23 VAL 49 HG23 VAL 49 -4.420 -2.732 -0.835 416 H CYS 50 H CYS 50 -0.861 -4.432 -0.529 417 HA CYS 50 HA CYS 50 0.916 -2.108 -0.259 418 HB2 CYS 50 HB2 CYS 50 1.709 -4.700 -1.634 419 HB3 CYS 50 HB3 CYS 50 2.671 -3.327 -1.196 420 H ILE 51 H ILE 51 1.348 -1.080 -2.215 421 HA ILE 51 HA ILE 51 -0.472 -1.901 -4.343 422 HB ILE 51 HB ILE 51 0.097 0.923 -3.431 423 HG12 ILE 51 HG12 ILE 51 -2.256 -0.899 -3.254 424 HG13 ILE 51 HG13 ILE 51 -1.381 -0.150 -1.951 425 HG21 ILE 51 HG21 ILE 51 -0.127 0.832 -5.848 426 HG22 ILE 51 HG22 ILE 51 -1.561 1.577 -5.121 427 HG23 ILE 51 HG23 ILE 51 -1.604 -0.109 -5.659 428 HD11 ILE 51 HD11 ILE 51 -2.154 2.073 -2.587 429 HD12 ILE 51 HD12 ILE 51 -3.519 0.999 -2.269 430 HD13 ILE 51 HD13 ILE 51 -3.062 1.378 -3.930 431 H ASP 52 H ASP 52 0.175 -1.712 -6.386 432 HA ASP 52 HA ASP 52 3.004 -1.525 -6.827 433 HB2 ASP 52 HB2 ASP 52 1.627 -3.218 -7.882 434 HB3 ASP 52 HB3 ASP 52 0.754 -1.963 -8.778 435 HA PRO 53 HA PRO 53 2.934 2.805 -7.743 436 HB2 PRO 53 HB2 PRO 53 5.167 2.818 -9.380 437 HB3 PRO 53 HB3 PRO 53 5.194 2.906 -7.617 438 HG2 PRO 53 HG2 PRO 53 5.577 0.526 -9.398 439 HG3 PRO 53 HG3 PRO 53 6.438 0.958 -7.910 440 HD2 PRO 53 HD2 PRO 53 4.560 -0.908 -7.948 441 HD3 PRO 53 HD3 PRO 53 4.729 0.192 -6.560 442 H LYS 54 H LYS 54 2.652 0.386 -10.266 443 HA LYS 54 HA LYS 54 2.272 2.523 -12.217 444 HB2 LYS 54 HB2 LYS 54 2.727 -0.424 -12.679 445 HB3 LYS 54 HB3 LYS 54 2.482 0.790 -13.946 446 HG2 LYS 54 HG2 LYS 54 4.680 0.794 -11.932 447 HG3 LYS 54 HG3 LYS 54 4.820 0.284 -13.619 448 HD2 LYS 54 HD2 LYS 54 4.358 2.477 -14.404 449 HD3 LYS 54 HD3 LYS 54 3.890 3.051 -12.812 450 HE2 LYS 54 HE2 LYS 54 6.032 3.836 -13.236 451 HE3 LYS 54 HE3 LYS 54 6.027 2.539 -12.020 452 HZ1 LYS 54 HZ1 LYS 54 7.896 2.330 -13.664 453 HZ2 LYS 54 HZ2 LYS 54 6.761 2.095 -14.877 454 HZ3 LYS 54 HZ3 LYS 54 6.899 0.985 -13.625 455 H LEU 55 H LEU 55 0.358 1.560 -10.187 456 HA LEU 55 HA LEU 55 -1.907 0.876 -11.782 457 HB2 LEU 55 HB2 LEU 55 -1.495 1.883 -9.041 458 HB3 LEU 55 HB3 LEU 55 -3.104 1.925 -9.667 459 HG LEU 55 HG LEU 55 -1.380 -0.527 -9.211 460 HD11 LEU 55 HD11 LEU 55 -3.973 0.368 -7.960 461 HD12 LEU 55 HD12 LEU 55 -2.386 0.596 -7.252 462 HD13 LEU 55 HD13 LEU 55 -3.007 -1.047 -7.502 463 HD21 LEU 55 HD21 LEU 55 -3.379 -1.789 -9.826 464 HD22 LEU 55 HD22 LEU 55 -2.787 -0.841 -11.202 465 HD23 LEU 55 HD23 LEU 55 -4.181 -0.294 -10.251 466 H LYS 56 H LYS 56 -3.641 2.269 -12.339 467 HA LYS 56 HA LYS 56 -2.616 4.575 -13.605 468 HB2 LYS 56 HB2 LYS 56 -5.481 3.674 -13.345 469 HB3 LYS 56 HB3 LYS 56 -4.903 4.958 -14.406 470 HG2 LYS 56 HG2 LYS 56 -3.504 3.333 -15.599 471 HG3 LYS 56 HG3 LYS 56 -4.109 2.055 -14.550 472 HD2 LYS 56 HD2 LYS 56 -5.288 2.031 -16.670 473 HD3 LYS 56 HD3 LYS 56 -6.386 2.480 -15.368 474 HE2 LYS 56 HE2 LYS 56 -6.734 3.872 -17.357 475 HE3 LYS 56 HE3 LYS 56 -6.191 4.836 -15.993 476 HZ1 LYS 56 HZ1 LYS 56 -5.046 5.482 -17.999 477 HZ2 LYS 56 HZ2 LYS 56 -4.481 3.918 -18.264 478 HZ3 LYS 56 HZ3 LYS 56 -3.943 4.791 -16.946 479 H TRP 57 H TRP 57 -4.862 4.216 -10.877 480 HA TRP 57 HA TRP 57 -5.013 7.056 -10.586 481 HB2 TRP 57 HB2 TRP 57 -6.187 6.703 -8.475 482 HB3 TRP 57 HB3 TRP 57 -6.908 5.693 -9.699 483 HD1 TRP 57 HD1 TRP 57 -6.210 2.957 -9.464 484 HE1 TRP 57 HE1 TRP 57 -5.854 1.614 -7.358 485 HE3 TRP 57 HE3 TRP 57 -5.354 6.804 -6.205 486 HZ2 TRP 57 HZ2 TRP 57 -5.270 2.069 -4.657 487 HZ3 TRP 57 HZ3 TRP 57 -4.907 6.253 -3.851 488 HH2 TRP 57 HH2 TRP 57 -4.869 3.948 -3.085 489 H ILE 58 H ILE 58 -2.809 4.719 -9.665 490 HA ILE 58 HA ILE 58 -1.670 6.193 -7.507 491 HB ILE 58 HB ILE 58 -0.677 3.812 -9.065 492 HG12 ILE 58 HG12 ILE 58 -2.542 3.394 -7.558 493 HG13 ILE 58 HG13 ILE 58 -1.076 2.606 -6.984 494 HG21 ILE 58 HG21 ILE 58 1.092 3.576 -7.414 495 HG22 ILE 58 HG22 ILE 58 0.688 5.165 -6.739 496 HG23 ILE 58 HG23 ILE 58 1.291 5.027 -8.390 497 HD11 ILE 58 HD11 ILE 58 -0.765 4.392 -5.346 498 HD12 ILE 58 HD12 ILE 58 -2.321 3.588 -5.150 499 HD13 ILE 58 HD13 ILE 58 -2.254 5.169 -5.909 500 H GLN 59 H GLN 59 -0.870 5.752 -10.916 501 HA GLN 59 HA GLN 59 1.382 7.438 -10.919 502 HB2 GLN 59 HB2 GLN 59 -0.659 6.933 -13.060 503 HB3 GLN 59 HB3 GLN 59 0.783 7.917 -13.298 504 HG2 GLN 59 HG2 GLN 59 0.817 5.009 -12.491 505 HG3 GLN 59 HG3 GLN 59 1.010 5.580 -14.148 506 HE21 GLN 59 HE21 GLN 59 2.533 5.260 -11.036 507 HE22 GLN 59 HE22 GLN 59 4.103 5.735 -11.534 508 H GLU 60 H GLU 60 -2.047 8.172 -11.280 509 HA GLU 60 HA GLU 60 -1.807 10.951 -11.566 510 HB2 GLU 60 HB2 GLU 60 -4.033 9.346 -10.301 511 HB3 GLU 60 HB3 GLU 60 -4.143 11.044 -10.742 512 HG2 GLU 60 HG2 GLU 60 -3.718 8.735 -12.621 513 HG3 GLU 60 HG3 GLU 60 -5.218 9.635 -12.395 514 H TYR 61 H TYR 61 -2.161 8.893 -8.699 515 HA TYR 61 HA TYR 61 -2.286 10.892 -6.777 516 HB2 TYR 61 HB2 TYR 61 -2.829 8.580 -6.180 517 HB3 TYR 61 HB3 TYR 61 -1.177 8.091 -6.543 518 HD1 TYR 61 HD1 TYR 61 -2.993 10.485 -4.293 519 HD2 TYR 61 HD2 TYR 61 0.306 7.834 -4.778 520 HE1 TYR 61 HE1 TYR 61 -2.310 10.883 -1.955 521 HE2 TYR 61 HE2 TYR 61 0.978 8.236 -2.467 522 HH TYR 61 HH TYR 61 0.735 9.939 -0.831 523 H LEU 62 H LEU 62 0.586 9.189 -7.999 524 HA LEU 62 HA LEU 62 2.348 10.627 -6.334 525 HB2 LEU 62 HB2 LEU 62 2.788 9.050 -8.832 526 HB3 LEU 62 HB3 LEU 62 4.092 9.996 -8.152 527 HG LEU 62 HG LEU 62 3.945 8.649 -6.051 528 HD11 LEU 62 HD11 LEU 62 1.943 7.005 -7.506 529 HD12 LEU 62 HD12 LEU 62 1.631 8.084 -6.152 530 HD13 LEU 62 HD13 LEU 62 2.661 6.662 -5.924 531 HD21 LEU 62 HD21 LEU 62 5.482 8.051 -7.802 532 HD22 LEU 62 HD22 LEU 62 4.237 7.049 -8.554 533 HD23 LEU 62 HD23 LEU 62 4.869 6.622 -6.953 534 H GLU 63 H GLU 63 1.264 11.218 -9.657 535 HA GLU 63 HA GLU 63 2.900 13.388 -10.149 536 HB2 GLU 63 HB2 GLU 63 1.753 12.251 -11.918 537 HB3 GLU 63 HB3 GLU 63 0.190 12.645 -11.220 538 HG2 GLU 63 HG2 GLU 63 0.551 14.962 -11.621 539 HG3 GLU 63 HG3 GLU 63 2.168 14.626 -12.250 540 H LYS 64 H LYS 64 -0.442 13.303 -8.869 541 HA LYS 64 HA LYS 64 -0.443 16.133 -8.656 542 HB2 LYS 64 HB2 LYS 64 -2.619 15.947 -7.597 543 HB3 LYS 64 HB3 LYS 64 -2.519 15.007 -9.076 544 HG2 LYS 64 HG2 LYS 64 -2.232 13.001 -7.762 545 HG3 LYS 64 HG3 LYS 64 -2.367 13.960 -6.283 546 HD2 LYS 64 HD2 LYS 64 -4.559 14.711 -6.973 547 HD3 LYS 64 HD3 LYS 64 -4.415 13.756 -8.452 548 HE2 LYS 64 HE2 LYS 64 -5.732 12.529 -6.848 549 HE3 LYS 64 HE3 LYS 64 -4.167 11.750 -7.113 550 HZ1 LYS 64 HZ1 LYS 64 -4.881 13.470 -4.813 551 HZ2 LYS 64 HZ2 LYS 64 -3.370 12.751 -5.029 552 HZ3 LYS 64 HZ3 LYS 64 -4.747 11.805 -4.763 553 H ALA 65 H ALA 65 0.583 13.618 -6.555 554 HA ALA 65 HA ALA 65 0.475 15.189 -4.170 555 HB1 ALA 65 HB1 ALA 65 1.917 13.471 -3.184 556 HB2 ALA 65 HB2 ALA 65 2.206 12.784 -4.781 557 HB3 ALA 65 HB3 ALA 65 0.591 12.727 -4.077 558 H LEU 66 H LEU 66 2.856 14.595 -6.683 559 HA LEU 66 HA LEU 66 4.887 16.170 -5.408 560 HB2 LEU 66 HB2 LEU 66 4.651 15.287 -8.282 561 HB3 LEU 66 HB3 LEU 66 6.088 15.958 -7.536 562 HG LEU 66 HG LEU 66 4.807 13.293 -6.943 563 HD11 LEU 66 HD11 LEU 66 5.997 13.332 -9.036 564 HD12 LEU 66 HD12 LEU 66 6.878 12.374 -7.849 565 HD13 LEU 66 HD13 LEU 66 7.418 14.007 -8.243 566 HD21 LEU 66 HD21 LEU 66 5.745 14.243 -4.898 567 HD22 LEU 66 HD22 LEU 66 7.269 14.542 -5.734 568 HD23 LEU 66 HD23 LEU 66 6.717 12.887 -5.465 569 H ASN 67 H ASN 67 2.332 16.698 -7.698 570 HA ASN 67 HA ASN 67 3.182 19.317 -8.468 571 HB2 ASN 67 HB2 ASN 67 1.793 17.957 -9.965 572 HB3 ASN 67 HB3 ASN 67 0.497 17.972 -8.781 573 HD21 ASN 67 HD21 ASN 67 -0.811 19.753 -8.613 574 HD22 ASN 67 HD22 ASN 67 -0.720 21.087 -9.698 575 H LYS 68 H LYS 68 0.459 18.151 -6.467 576 HA LYS 68 HA LYS 68 -0.736 18.982 -4.849 577 HB2 LYS 68 HB2 LYS 68 1.386 19.330 -3.697 578 HB3 LYS 68 HB3 LYS 68 1.565 20.899 -4.464 579 HG2 LYS 68 HG2 LYS 68 -0.436 21.675 -3.289 580 HG3 LYS 68 HG3 LYS 68 -0.559 20.103 -2.496 581 HD2 LYS 68 HD2 LYS 68 1.603 20.408 -1.495 582 HD3 LYS 68 HD3 LYS 68 1.800 21.948 -2.330 583 HE2 LYS 68 HE2 LYS 68 -0.347 21.316 -0.296 584 HE3 LYS 68 HE3 LYS 68 1.095 22.284 0.012 585 HZ1 LYS 68 HZ1 LYS 68 -0.795 23.705 -0.425 586 HZ2 LYS 68 HZ2 LYS 68 -1.074 22.956 -1.916 587 HZ3 LYS 68 HZ3 LYS 68 0.323 23.858 -1.663 Start of MODEL 2 1 H LYS 1 H LYS 1 18.864 -27.107 0.960 2 HA LYS 1 HA LYS 1 17.400 -28.170 3.282 3 HB2 LYS 1 HB2 LYS 1 19.084 -25.668 2.967 4 HB3 LYS 1 HB3 LYS 1 18.142 -26.086 4.388 5 HG2 LYS 1 HG2 LYS 1 19.573 -28.048 4.746 6 HG3 LYS 1 HG3 LYS 1 20.517 -27.611 3.326 7 HD2 LYS 1 HD2 LYS 1 21.679 -26.843 5.299 8 HD3 LYS 1 HD3 LYS 1 21.071 -25.450 4.412 9 HE2 LYS 1 HE2 LYS 1 19.147 -25.345 5.985 10 HE3 LYS 1 HE3 LYS 1 19.834 -26.704 6.864 11 HZ1 LYS 1 HZ1 LYS 1 20.385 -24.601 7.917 12 HZ2 LYS 1 HZ2 LYS 1 21.100 -24.053 6.497 13 HZ3 LYS 1 HZ3 LYS 1 21.789 -25.346 7.332 14 HA PRO 2 HA PRO 2 13.985 -25.922 1.634 15 HB2 PRO 2 HB2 PRO 2 12.762 -25.076 3.928 16 HB3 PRO 2 HB3 PRO 2 12.665 -26.741 3.339 17 HG2 PRO 2 HG2 PRO 2 14.438 -25.565 5.440 18 HG3 PRO 2 HG3 PRO 2 13.555 -27.103 5.457 19 HD2 PRO 2 HD2 PRO 2 16.188 -26.978 4.918 20 HD3 PRO 2 HD3 PRO 2 15.114 -28.151 4.127 21 H VAL 3 H VAL 3 14.061 -23.969 0.736 22 HA VAL 3 HA VAL 3 15.333 -21.840 2.237 23 HB VAL 3 HB VAL 3 15.524 -20.600 0.053 24 HG11 VAL 3 HG11 VAL 3 16.759 -23.352 0.128 25 HG12 VAL 3 HG12 VAL 3 17.392 -21.905 0.913 26 HG13 VAL 3 HG13 VAL 3 17.337 -21.998 -0.844 27 HG21 VAL 3 HG21 VAL 3 14.604 -23.217 -1.145 28 HG22 VAL 3 HG22 VAL 3 15.197 -21.825 -2.043 29 HG23 VAL 3 HG23 VAL 3 13.674 -21.722 -1.147 30 H SER 4 H SER 4 14.056 -20.655 3.390 31 HA SER 4 HA SER 4 11.864 -19.265 2.179 32 HB2 SER 4 HB2 SER 4 11.411 -21.107 4.561 33 HB3 SER 4 HB3 SER 4 10.242 -19.942 3.946 34 HG SER 4 HG SER 4 11.132 -21.456 1.957 35 H LEU 5 H LEU 5 10.836 -17.921 4.179 36 HA LEU 5 HA LEU 5 11.082 -16.273 5.654 37 HB2 LEU 5 HB2 LEU 5 13.454 -17.875 6.655 38 HB3 LEU 5 HB3 LEU 5 12.894 -16.418 7.425 39 HG LEU 5 HG LEU 5 12.109 -18.211 8.716 40 HD11 LEU 5 HD11 LEU 5 9.698 -18.032 8.651 41 HD12 LEU 5 HD12 LEU 5 9.801 -17.241 7.077 42 HD13 LEU 5 HD13 LEU 5 10.508 -16.473 8.496 43 HD21 LEU 5 HD21 LEU 5 10.742 -20.070 7.855 44 HD22 LEU 5 HD22 LEU 5 12.362 -20.042 7.161 45 HD23 LEU 5 HD23 LEU 5 10.988 -19.470 6.213 46 H SER 6 H SER 6 12.607 -16.360 3.069 47 HA SER 6 HA SER 6 14.706 -14.445 3.647 48 HB2 SER 6 HB2 SER 6 15.193 -16.288 2.066 49 HB3 SER 6 HB3 SER 6 13.879 -15.739 1.029 50 HG SER 6 HG SER 6 15.016 -14.045 0.425 51 H TYR 7 H TYR 7 13.986 -12.455 3.913 52 HA TYR 7 HA TYR 7 12.084 -11.343 1.957 53 HB2 TYR 7 HB2 TYR 7 12.088 -10.668 4.914 54 HB3 TYR 7 HB3 TYR 7 10.943 -10.121 3.703 55 HD1 TYR 7 HD1 TYR 7 9.417 -11.937 2.659 56 HD2 TYR 7 HD2 TYR 7 11.655 -12.536 6.209 57 HE1 TYR 7 HE1 TYR 7 7.927 -13.823 3.279 58 HE2 TYR 7 HE2 TYR 7 10.183 -14.404 6.841 59 HH TYR 7 HH TYR 7 7.904 -15.099 6.384 60 H ARG 8 H ARG 8 13.484 -9.931 0.890 61 HA ARG 8 HA ARG 8 15.216 -8.421 2.711 62 HB2 ARG 8 HB2 ARG 8 16.721 -7.838 1.035 63 HB3 ARG 8 HB3 ARG 8 16.414 -9.549 0.780 64 HG2 ARG 8 HG2 ARG 8 15.273 -7.253 -0.820 65 HG3 ARG 8 HG3 ARG 8 16.660 -8.218 -1.292 66 HD2 ARG 8 HD2 ARG 8 15.182 -10.192 -1.404 67 HD3 ARG 8 HD3 ARG 8 13.814 -9.155 -0.976 68 HE ARG 8 HE ARG 8 14.941 -7.901 -3.068 69 HH11 ARG 8 HH11 ARG 8 13.657 -11.175 -2.645 70 HH12 ARG 8 HH12 ARG 8 13.210 -11.371 -4.261 71 HH21 ARG 8 HH21 ARG 8 14.343 -8.170 -5.316 72 HH22 ARG 8 HH22 ARG 8 13.623 -9.613 -5.832 73 H CYS 9 H CYS 9 12.514 -8.117 0.965 74 HA CYS 9 HA CYS 9 12.673 -5.194 1.140 75 HB2 CYS 9 HB2 CYS 9 10.733 -6.761 -0.604 76 HB3 CYS 9 HB3 CYS 9 11.001 -5.044 -0.580 77 HA PRO 10 HA PRO 10 9.927 -5.218 4.623 78 HB2 PRO 10 HB2 PRO 10 8.637 -3.003 3.078 79 HB3 PRO 10 HB3 PRO 10 9.062 -3.061 4.792 80 HG2 PRO 10 HG2 PRO 10 10.623 -1.749 3.139 81 HG3 PRO 10 HG3 PRO 10 11.350 -2.812 4.361 82 HD2 PRO 10 HD2 PRO 10 11.025 -3.242 1.423 83 HD3 PRO 10 HD3 PRO 10 12.350 -3.726 2.505 84 H CYS 11 H CYS 11 8.332 -4.841 1.446 85 HA CYS 11 HA CYS 11 6.187 -6.516 2.524 86 HB2 CYS 11 HB2 CYS 11 5.415 -4.181 2.010 87 HB3 CYS 11 HB3 CYS 11 5.909 -4.430 0.345 88 H ARG 12 H ARG 12 5.252 -8.021 1.033 89 HA ARG 12 HA ARG 12 7.286 -9.011 -0.808 90 HB2 ARG 12 HB2 ARG 12 4.816 -10.361 0.281 91 HB3 ARG 12 HB3 ARG 12 6.063 -11.110 -0.699 92 HG2 ARG 12 HG2 ARG 12 7.686 -10.784 1.075 93 HG3 ARG 12 HG3 ARG 12 6.466 -9.964 2.055 94 HD2 ARG 12 HD2 ARG 12 6.713 -12.283 2.749 95 HD3 ARG 12 HD3 ARG 12 5.117 -12.000 2.065 96 HE ARG 12 HE ARG 12 6.783 -12.867 0.015 97 HH11 ARG 12 HH11 ARG 12 5.290 -14.180 2.941 98 HH12 ARG 12 HH12 ARG 12 5.282 -15.783 2.372 99 HH21 ARG 12 HH21 ARG 12 6.766 -15.003 -0.760 100 HH22 ARG 12 HH22 ARG 12 6.161 -16.285 0.177 101 H PHE 13 H PHE 13 3.728 -9.076 -0.723 102 HA PHE 13 HA PHE 13 3.735 -8.561 -3.600 103 HB2 PHE 13 HB2 PHE 13 1.598 -9.871 -3.669 104 HB3 PHE 13 HB3 PHE 13 3.012 -10.820 -3.237 105 HD1 PHE 13 HD1 PHE 13 -0.143 -9.398 -2.025 106 HD2 PHE 13 HD2 PHE 13 3.242 -11.773 -1.035 107 HE1 PHE 13 HE1 PHE 13 -1.297 -10.201 -0.004 108 HE2 PHE 13 HE2 PHE 13 2.097 -12.577 0.978 109 HZ PHE 13 HZ PHE 13 -0.172 -11.790 1.500 110 H PHE 14 H PHE 14 2.120 -7.288 -4.448 111 HA PHE 14 HA PHE 14 0.950 -5.345 -2.527 112 HB2 PHE 14 HB2 PHE 14 1.570 -4.940 -5.432 113 HB3 PHE 14 HB3 PHE 14 1.204 -3.715 -4.231 114 HD1 PHE 14 HD1 PHE 14 3.048 -4.360 -2.045 115 HD2 PHE 14 HD2 PHE 14 3.666 -4.488 -6.251 116 HE1 PHE 14 HE1 PHE 14 5.401 -4.022 -1.690 117 HE2 PHE 14 HE2 PHE 14 6.078 -4.147 -5.893 118 HZ PHE 14 HZ PHE 14 6.956 -3.913 -3.619 119 H GLU 15 H GLU 15 -1.204 -4.655 -2.905 120 HA GLU 15 HA GLU 15 -2.824 -6.571 -4.215 121 HB2 GLU 15 HB2 GLU 15 -3.109 -5.008 -2.079 122 HB3 GLU 15 HB3 GLU 15 -3.661 -3.861 -3.279 123 HG2 GLU 15 HG2 GLU 15 -4.829 -6.574 -2.783 124 HG3 GLU 15 HG3 GLU 15 -5.389 -5.035 -2.129 125 H SER 16 H SER 16 -3.313 -6.421 -6.329 126 HA SER 16 HA SER 16 -2.311 -4.088 -7.749 127 HB2 SER 16 HB2 SER 16 -2.280 -5.718 -9.708 128 HB3 SER 16 HB3 SER 16 -1.109 -5.980 -8.413 129 HG SER 16 HG SER 16 -3.181 -7.553 -9.267 130 H HIS 17 H HIS 17 -5.221 -4.866 -6.655 131 HA HIS 17 HA HIS 17 -6.523 -3.749 -9.065 132 HB2 HIS 17 HB2 HIS 17 -6.941 -6.249 -8.686 133 HB3 HIS 17 HB3 HIS 17 -7.801 -5.788 -7.219 134 HD1 HIS 17 HD1 HIS 17 -10.250 -5.179 -7.521 135 HD2 HIS 17 HD2 HIS 17 -8.141 -5.158 -11.099 136 HE1 HIS 17 HE1 HIS 17 -11.945 -4.817 -9.305 137 HE2 HIS 17 HE2 HIS 17 -10.697 -5.128 -11.430 138 H VAL 18 H VAL 18 -5.430 -2.443 -6.753 139 HA VAL 18 HA VAL 18 -7.476 -1.884 -4.876 140 HB VAL 18 HB VAL 18 -5.078 -0.149 -5.423 141 HG11 VAL 18 HG11 VAL 18 -6.736 -0.545 -2.923 142 HG12 VAL 18 HG12 VAL 18 -6.759 0.870 -3.973 143 HG13 VAL 18 HG13 VAL 18 -5.309 0.481 -3.043 144 HG21 VAL 18 HG21 VAL 18 -3.921 -1.414 -3.697 145 HG22 VAL 18 HG22 VAL 18 -4.337 -2.428 -5.074 146 HG23 VAL 18 HG23 VAL 18 -5.294 -2.520 -3.592 147 H ALA 19 H ALA 19 -8.829 -0.200 -4.735 148 HA ALA 19 HA ALA 19 -9.059 1.569 -7.063 149 HB1 ALA 19 HB1 ALA 19 -11.127 0.590 -5.106 150 HB2 ALA 19 HB2 ALA 19 -10.944 0.071 -6.775 151 HB3 ALA 19 HB3 ALA 19 -11.436 1.731 -6.425 152 H ARG 20 H ARG 20 -9.221 3.763 -6.683 153 HA ARG 20 HA ARG 20 -8.176 4.925 -4.351 154 HB2 ARG 20 HB2 ARG 20 -8.109 6.147 -6.432 155 HB3 ARG 20 HB3 ARG 20 -9.852 6.120 -6.578 156 HG2 ARG 20 HG2 ARG 20 -9.151 8.330 -5.933 157 HG3 ARG 20 HG3 ARG 20 -10.003 7.586 -4.584 158 HD2 ARG 20 HD2 ARG 20 -7.737 6.973 -3.650 159 HD3 ARG 20 HD3 ARG 20 -7.032 7.997 -4.904 160 HE ARG 20 HE ARG 20 -9.080 9.188 -3.271 161 HH11 ARG 20 HH11 ARG 20 -5.587 9.006 -3.915 162 HH12 ARG 20 HH12 ARG 20 -5.205 10.230 -2.779 163 HH21 ARG 20 HH21 ARG 20 -8.497 10.854 -1.741 164 HH22 ARG 20 HH22 ARG 20 -6.876 11.293 -1.527 165 H ALA 21 H ALA 21 -11.410 4.085 -5.239 166 HA ALA 21 HA ALA 21 -12.742 5.564 -3.203 167 HB1 ALA 21 HB1 ALA 21 -13.702 3.164 -4.747 168 HB2 ALA 21 HB2 ALA 21 -13.876 4.846 -5.249 169 HB3 ALA 21 HB3 ALA 21 -14.705 4.265 -3.805 170 H ASN 22 H ASN 22 -10.827 2.747 -3.058 171 HA ASN 22 HA ASN 22 -12.206 1.893 -0.591 172 HB2 ASN 22 HB2 ASN 22 -12.176 0.263 -2.503 173 HB3 ASN 22 HB3 ASN 22 -10.427 0.197 -2.326 174 HD21 ASN 22 HD21 ASN 22 -10.341 -1.854 -1.719 175 HD22 ASN 22 HD22 ASN 22 -10.983 -2.533 -0.269 176 H VAL 23 H VAL 23 -9.676 3.720 -1.441 177 HA VAL 23 HA VAL 23 -7.840 2.478 0.478 178 HB VAL 23 HB VAL 23 -6.838 3.198 -1.653 179 HG11 VAL 23 HG11 VAL 23 -8.237 5.103 -2.182 180 HG12 VAL 23 HG12 VAL 23 -6.529 5.555 -2.188 181 HG13 VAL 23 HG13 VAL 23 -7.558 5.995 -0.823 182 HG21 VAL 23 HG21 VAL 23 -4.941 4.387 -0.710 183 HG22 VAL 23 HG22 VAL 23 -5.514 3.097 0.353 184 HG23 VAL 23 HG23 VAL 23 -5.902 4.771 0.722 185 H LYS 24 H LYS 24 -7.949 2.892 2.424 186 HA LYS 24 HA LYS 24 -9.391 5.164 3.528 187 HB2 LYS 24 HB2 LYS 24 -9.513 2.777 4.331 188 HB3 LYS 24 HB3 LYS 24 -7.878 2.988 4.928 189 HG2 LYS 24 HG2 LYS 24 -8.616 4.766 6.376 190 HG3 LYS 24 HG3 LYS 24 -10.257 4.609 5.742 191 HD2 LYS 24 HD2 LYS 24 -10.314 2.285 6.531 192 HD3 LYS 24 HD3 LYS 24 -8.700 2.504 7.217 193 HE2 LYS 24 HE2 LYS 24 -9.548 4.349 8.533 194 HE3 LYS 24 HE3 LYS 24 -11.161 4.056 7.922 195 HZ1 LYS 24 HZ1 LYS 24 -10.863 2.955 10.109 196 HZ2 LYS 24 HZ2 LYS 24 -9.596 2.064 9.471 197 HZ3 LYS 24 HZ3 LYS 24 -11.146 1.829 8.881 198 H HIS 25 H HIS 25 -6.029 4.001 3.404 199 HA HIS 25 HA HIS 25 -5.184 6.706 3.630 200 HB2 HIS 25 HB2 HIS 25 -3.804 6.620 5.612 201 HB3 HIS 25 HB3 HIS 25 -5.440 6.183 6.077 202 HD1 HIS 25 HD1 HIS 25 -3.918 5.541 8.209 203 HD2 HIS 25 HD2 HIS 25 -3.433 3.053 4.918 204 HE1 HIS 25 HE1 HIS 25 -2.659 3.518 9.037 205 HE2 HIS 25 HE2 HIS 25 -2.633 1.955 7.118 206 H LEU 26 H LEU 26 -3.060 7.096 3.059 207 HA LEU 26 HA LEU 26 -1.705 4.777 1.879 208 HB2 LEU 26 HB2 LEU 26 -1.551 7.701 1.108 209 HB3 LEU 26 HB3 LEU 26 -0.451 6.491 0.516 210 HG LEU 26 HG LEU 26 -1.983 6.981 -1.189 211 HD11 LEU 26 HD11 LEU 26 -3.025 4.849 -1.665 212 HD12 LEU 26 HD12 LEU 26 -2.752 4.348 -0.001 213 HD13 LEU 26 HD13 LEU 26 -1.378 4.676 -1.056 214 HD21 LEU 26 HD21 LEU 26 -3.775 7.996 0.066 215 HD22 LEU 26 HD22 LEU 26 -4.219 6.439 0.761 216 HD23 LEU 26 HD23 LEU 26 -4.430 6.727 -0.966 217 H LYS 27 H LYS 27 0.141 4.235 2.710 218 HA LYS 27 HA LYS 27 1.823 6.253 3.982 219 HB2 LYS 27 HB2 LYS 27 0.619 4.932 5.735 220 HB3 LYS 27 HB3 LYS 27 1.222 3.454 5.051 221 HG2 LYS 27 HG2 LYS 27 3.519 4.191 5.575 222 HG3 LYS 27 HG3 LYS 27 2.860 5.651 6.312 223 HD2 LYS 27 HD2 LYS 27 3.329 4.026 8.045 224 HD3 LYS 27 HD3 LYS 27 1.586 4.233 7.894 225 HE2 LYS 27 HE2 LYS 27 2.142 1.887 8.145 226 HE3 LYS 27 HE3 LYS 27 1.457 2.175 6.551 227 HZ1 LYS 27 HZ1 LYS 27 3.736 2.168 5.635 228 HZ2 LYS 27 HZ2 LYS 27 3.477 0.725 6.475 229 HZ3 LYS 27 HZ3 LYS 27 4.361 1.950 7.162 230 H ILE 28 H ILE 28 3.792 6.098 2.961 231 HA ILE 28 HA ILE 28 4.133 3.688 1.356 232 HB ILE 28 HB ILE 28 4.897 6.525 0.577 233 HG12 ILE 28 HG12 ILE 28 2.790 4.621 -0.435 234 HG13 ILE 28 HG13 ILE 28 2.495 6.117 0.437 235 HG21 ILE 28 HG21 ILE 28 6.500 4.855 -0.279 236 HG22 ILE 28 HG22 ILE 28 5.509 5.591 -1.546 237 HG23 ILE 28 HG23 ILE 28 5.136 3.965 -0.984 238 HD11 ILE 28 HD11 ILE 28 3.642 5.850 -2.346 239 HD12 ILE 28 HD12 ILE 28 3.401 7.379 -1.492 240 HD13 ILE 28 HD13 ILE 28 2.021 6.360 -1.937 241 H LEU 29 H LEU 29 6.028 2.661 1.251 242 HA LEU 29 HA LEU 29 8.098 3.521 3.140 243 HB2 LEU 29 HB2 LEU 29 6.743 1.384 3.558 244 HB3 LEU 29 HB3 LEU 29 7.474 0.741 2.117 245 HG LEU 29 HG LEU 29 8.523 -0.184 4.078 246 HD11 LEU 29 HD11 LEU 29 10.862 0.320 3.702 247 HD12 LEU 29 HD12 LEU 29 10.396 1.712 2.725 248 HD13 LEU 29 HD13 LEU 29 9.971 0.084 2.196 249 HD21 LEU 29 HD21 LEU 29 9.783 1.181 5.671 250 HD22 LEU 29 HD22 LEU 29 8.067 1.584 5.673 251 HD23 LEU 29 HD23 LEU 29 9.215 2.635 4.851 252 H ASN 30 H ASN 30 9.811 4.236 2.119 253 HA ASN 30 HA ASN 30 10.335 3.671 -0.708 254 HB2 ASN 30 HB2 ASN 30 11.728 5.545 1.235 255 HB3 ASN 30 HB3 ASN 30 11.995 5.478 -0.495 256 HD21 ASN 30 HD21 ASN 30 9.850 6.482 2.049 257 HD22 ASN 30 HD22 ASN 30 8.850 7.500 1.086 258 H THR 31 H THR 31 11.825 1.919 -1.197 259 HA THR 31 HA THR 31 13.803 1.469 0.890 260 HB THR 31 HB THR 31 12.834 -0.521 -1.181 261 HG1 THR 31 HG1 THR 31 11.771 0.407 1.192 262 HG21 THR 31 HG21 THR 31 13.648 -2.149 0.496 263 HG22 THR 31 HG22 THR 31 14.184 -0.803 1.501 264 HG23 THR 31 HG23 THR 31 14.937 -1.084 -0.076 265 HA PRO 32 HA PRO 32 16.810 2.870 -2.206 266 HB2 PRO 32 HB2 PRO 32 18.753 1.102 -0.865 267 HB3 PRO 32 HB3 PRO 32 18.814 2.845 -0.979 268 HG2 PRO 32 HG2 PRO 32 18.280 1.738 1.338 269 HG3 PRO 32 HG3 PRO 32 17.288 3.112 0.808 270 HD2 PRO 32 HD2 PRO 32 16.710 0.189 0.583 271 HD3 PRO 32 HD3 PRO 32 15.696 1.433 1.327 272 H ASN 33 H ASN 33 16.664 -0.481 -1.449 273 HA ASN 33 HA ASN 33 17.996 -1.255 -3.953 274 HB2 ASN 33 HB2 ASN 33 18.606 -3.313 -2.573 275 HB3 ASN 33 HB3 ASN 33 19.392 -1.794 -2.138 276 HD21 ASN 33 HD21 ASN 33 19.668 -1.921 -0.025 277 HD22 ASN 33 HD22 ASN 33 18.440 -2.200 1.141 278 H CYS 34 H CYS 34 15.060 -1.233 -2.412 279 HA CYS 34 HA CYS 34 14.040 -3.374 -4.053 280 HB2 CYS 34 HB2 CYS 34 13.161 -2.425 -1.341 281 HB3 CYS 34 HB3 CYS 34 12.198 -3.459 -2.367 282 H ALA 35 H ALA 35 11.525 -2.834 -4.204 283 HA ALA 35 HA ALA 35 11.465 -0.455 -5.753 284 HB1 ALA 35 HB1 ALA 35 9.144 -1.084 -6.176 285 HB2 ALA 35 HB2 ALA 35 9.269 -2.322 -4.932 286 HB3 ALA 35 HB3 ALA 35 10.226 -2.459 -6.420 287 H LEU 36 H LEU 36 9.211 0.707 -5.438 288 HA LEU 36 HA LEU 36 9.327 1.939 -2.847 289 HB2 LEU 36 HB2 LEU 36 9.388 3.263 -4.957 290 HB3 LEU 36 HB3 LEU 36 7.860 2.585 -5.427 291 HG LEU 36 HG LEU 36 7.835 4.973 -4.664 292 HD11 LEU 36 HD11 LEU 36 5.799 3.708 -4.747 293 HD12 LEU 36 HD12 LEU 36 5.803 4.797 -3.369 294 HD13 LEU 36 HD13 LEU 36 6.102 3.075 -3.123 295 HD21 LEU 36 HD21 LEU 36 7.894 5.410 -2.272 296 HD22 LEU 36 HD22 LEU 36 9.432 4.771 -2.855 297 HD23 LEU 36 HD23 LEU 36 8.320 3.727 -1.971 298 H GLN 37 H GLN 37 8.239 0.658 -1.383 299 HA GLN 37 HA GLN 37 5.835 -0.702 -2.279 300 HB2 GLN 37 HB2 GLN 37 7.199 -0.810 0.423 301 HB3 GLN 37 HB3 GLN 37 5.699 -1.622 0.062 302 HG2 GLN 37 HG2 GLN 37 7.405 -3.255 -0.056 303 HG3 GLN 37 HG3 GLN 37 6.939 -2.900 -1.719 304 HE21 GLN 37 HE21 GLN 37 8.964 -0.862 0.202 305 HE22 GLN 37 HE22 GLN 37 10.408 -1.205 -0.654 306 H ILE 38 H ILE 38 3.913 0.020 -2.044 307 HA ILE 38 HA ILE 38 3.439 2.348 -0.348 308 HB ILE 38 HB ILE 38 1.823 1.006 -2.492 309 HG12 ILE 38 HG12 ILE 38 3.338 3.609 -2.597 310 HG13 ILE 38 HG13 ILE 38 3.844 2.094 -3.329 311 HG21 ILE 38 HG21 ILE 38 0.340 2.135 -0.897 312 HG22 ILE 38 HG22 ILE 38 0.350 3.019 -2.423 313 HG23 ILE 38 HG23 ILE 38 1.260 3.631 -1.051 314 HD11 ILE 38 HD11 ILE 38 1.393 3.669 -4.029 315 HD12 ILE 38 HD12 ILE 38 1.899 2.148 -4.790 316 HD13 ILE 38 HD13 ILE 38 2.900 3.606 -4.946 317 H VAL 39 H VAL 39 2.065 2.138 1.418 318 HA VAL 39 HA VAL 39 0.771 -0.462 1.804 319 HB VAL 39 HB VAL 39 1.766 1.468 3.922 320 HG11 VAL 39 HG11 VAL 39 0.595 -1.295 4.210 321 HG12 VAL 39 HG12 VAL 39 -0.180 0.218 4.670 322 HG13 VAL 39 HG13 VAL 39 1.257 -0.322 5.523 323 HG21 VAL 39 HG21 VAL 39 3.650 0.398 2.819 324 HG22 VAL 39 HG22 VAL 39 2.928 -1.192 3.086 325 HG23 VAL 39 HG23 VAL 39 3.470 -0.225 4.458 326 H ALA 40 H ALA 40 -1.363 -0.372 2.105 327 HA ALA 40 HA ALA 40 -2.687 2.220 2.610 328 HB1 ALA 40 HB1 ALA 40 -2.585 1.943 0.211 329 HB2 ALA 40 HB2 ALA 40 -4.234 1.743 0.831 330 HB3 ALA 40 HB3 ALA 40 -3.279 0.332 0.382 331 H ARG 41 H ARG 41 -4.648 2.028 3.482 332 HA ARG 41 HA ARG 41 -5.369 -0.703 4.245 333 HB2 ARG 41 HB2 ARG 41 -4.849 1.111 6.153 334 HB3 ARG 41 HB3 ARG 41 -6.382 1.726 5.680 335 HG2 ARG 41 HG2 ARG 41 -7.588 -0.119 6.369 336 HG3 ARG 41 HG3 ARG 41 -6.178 -1.174 6.357 337 HD2 ARG 41 HD2 ARG 41 -5.250 0.113 8.183 338 HD3 ARG 41 HD3 ARG 41 -6.766 1.052 8.295 339 HE ARG 41 HE ARG 41 -7.481 -1.602 8.457 340 HH11 ARG 41 HH11 ARG 41 -5.402 0.503 10.403 341 HH12 ARG 41 HH12 ARG 41 -5.589 -0.402 11.835 342 HH21 ARG 41 HH21 ARG 41 -7.715 -2.850 10.383 343 HH22 ARG 41 HH22 ARG 41 -6.958 -2.368 11.826 344 H LEU 42 H LEU 42 -7.377 -1.342 3.846 345 HA LEU 42 HA LEU 42 -8.707 0.214 1.801 346 HB2 LEU 42 HB2 LEU 42 -9.360 -2.535 2.883 347 HB3 LEU 42 HB3 LEU 42 -10.083 -1.803 1.478 348 HG LEU 42 HG LEU 42 -7.198 -2.607 1.768 349 HD11 LEU 42 HD11 LEU 42 -7.710 -4.252 0.047 350 HD12 LEU 42 HD12 LEU 42 -9.420 -3.802 0.151 351 HD13 LEU 42 HD13 LEU 42 -8.597 -4.503 1.547 352 HD21 LEU 42 HD21 LEU 42 -6.983 -2.038 -0.616 353 HD22 LEU 42 HD22 LEU 42 -7.359 -0.628 0.372 354 HD23 LEU 42 HD23 LEU 42 -8.622 -1.383 -0.592 355 H LYS 43 H LYS 43 -10.920 0.794 1.888 356 HA LYS 43 HA LYS 43 -11.688 1.732 4.492 357 HB2 LYS 43 HB2 LYS 43 -13.025 1.987 1.811 358 HB3 LYS 43 HB3 LYS 43 -13.508 2.835 3.277 359 HG2 LYS 43 HG2 LYS 43 -11.376 3.978 3.348 360 HG3 LYS 43 HG3 LYS 43 -10.828 3.086 1.934 361 HD2 LYS 43 HD2 LYS 43 -11.529 5.345 1.346 362 HD3 LYS 43 HD3 LYS 43 -12.571 4.139 0.588 363 HE2 LYS 43 HE2 LYS 43 -14.255 4.494 2.260 364 HE3 LYS 43 HE3 LYS 43 -13.176 5.584 3.133 365 HZ1 LYS 43 HZ1 LYS 43 -14.825 6.775 1.797 366 HZ2 LYS 43 HZ2 LYS 43 -14.274 6.022 0.406 367 HZ3 LYS 43 HZ3 LYS 43 -13.273 7.101 1.236 368 H ASN 44 H ASN 44 -13.248 -0.268 2.005 369 HA ASN 44 HA ASN 44 -15.447 -0.924 3.727 370 HB2 ASN 44 HB2 ASN 44 -15.673 -0.790 1.273 371 HB3 ASN 44 HB3 ASN 44 -14.586 -2.156 1.098 372 HD21 ASN 44 HD21 ASN 44 -17.166 -1.874 3.534 373 HD22 ASN 44 HD22 ASN 44 -18.120 -3.145 2.889 374 H ASN 45 H ASN 45 -12.503 -2.505 2.709 375 HA ASN 45 HA ASN 45 -13.182 -4.933 4.174 376 HB2 ASN 45 HB2 ASN 45 -12.127 -5.145 1.956 377 HB3 ASN 45 HB3 ASN 45 -10.723 -4.265 2.536 378 HD21 ASN 45 HD21 ASN 45 -9.447 -6.001 1.909 379 HD22 ASN 45 HD22 ASN 45 -9.369 -7.459 2.814 380 H ASN 46 H ASN 46 -11.180 -2.126 4.536 381 HA ASN 46 HA ASN 46 -9.975 -1.226 6.245 382 HB2 ASN 46 HB2 ASN 46 -12.195 -1.620 7.385 383 HB3 ASN 46 HB3 ASN 46 -11.573 -3.146 7.983 384 HD21 ASN 46 HD21 ASN 46 -10.229 -3.126 9.747 385 HD22 ASN 46 HD22 ASN 46 -9.880 -1.713 10.670 386 H ARG 47 H ARG 47 -9.035 -3.753 4.962 387 HA ARG 47 HA ARG 47 -7.084 -4.586 6.981 388 HB2 ARG 47 HB2 ARG 47 -7.475 -5.440 4.149 389 HB3 ARG 47 HB3 ARG 47 -6.171 -6.025 5.159 390 HG2 ARG 47 HG2 ARG 47 -7.898 -6.971 6.678 391 HG3 ARG 47 HG3 ARG 47 -9.115 -6.503 5.476 392 HD2 ARG 47 HD2 ARG 47 -8.517 -8.770 4.931 393 HD3 ARG 47 HD3 ARG 47 -7.757 -7.613 3.815 394 HE ARG 47 HE ARG 47 -6.162 -8.484 6.039 395 HH11 ARG 47 HH11 ARG 47 -6.828 -8.732 2.541 396 HH12 ARG 47 HH12 ARG 47 -5.353 -9.465 2.175 397 HH21 ARG 47 HH21 ARG 47 -4.145 -9.524 5.511 398 HH22 ARG 47 HH22 ARG 47 -3.773 -9.937 3.913 399 H GLN 48 H GLN 48 -4.831 -4.437 6.488 400 HA GLN 48 HA GLN 48 -4.298 -2.161 4.814 401 HB2 GLN 48 HB2 GLN 48 -3.809 -1.804 7.187 402 HB3 GLN 48 HB3 GLN 48 -2.737 -3.216 7.181 403 HG2 GLN 48 HG2 GLN 48 -1.342 -2.121 5.638 404 HG3 GLN 48 HG3 GLN 48 -2.556 -0.839 5.519 405 HE21 GLN 48 HE21 GLN 48 -0.105 -2.275 7.565 406 HE22 GLN 48 HE22 GLN 48 0.049 -0.950 8.649 407 H VAL 49 H VAL 49 -3.326 -2.572 3.054 408 HA VAL 49 HA VAL 49 -1.782 -5.044 2.751 409 HB VAL 49 HB VAL 49 -2.661 -5.210 0.441 410 HG11 VAL 49 HG11 VAL 49 -4.929 -5.989 0.992 411 HG12 VAL 49 HG12 VAL 49 -4.839 -5.145 2.537 412 HG13 VAL 49 HG13 VAL 49 -3.759 -6.501 2.208 413 HG21 VAL 49 HG21 VAL 49 -3.217 -2.863 0.060 414 HG22 VAL 49 HG22 VAL 49 -4.512 -2.959 1.252 415 HG23 VAL 49 HG23 VAL 49 -4.623 -3.882 -0.245 416 H CYS 50 H CYS 50 -0.593 -4.788 0.508 417 HA CYS 50 HA CYS 50 0.641 -2.142 0.562 418 HB2 CYS 50 HB2 CYS 50 1.624 -4.686 -0.716 419 HB3 CYS 50 HB3 CYS 50 2.463 -3.140 -0.638 420 H ILE 51 H ILE 51 1.176 -1.234 -1.512 421 HA ILE 51 HA ILE 51 -0.626 -2.058 -3.654 422 HB ILE 51 HB ILE 51 -0.048 0.802 -2.821 423 HG12 ILE 51 HG12 ILE 51 -2.470 -0.943 -2.606 424 HG13 ILE 51 HG13 ILE 51 -1.598 -0.130 -1.342 425 HG21 ILE 51 HG21 ILE 51 -0.180 0.635 -5.223 426 HG22 ILE 51 HG22 ILE 51 -1.612 1.448 -4.579 427 HG23 ILE 51 HG23 ILE 51 -1.699 -0.245 -5.083 428 HD11 ILE 51 HD11 ILE 51 -2.262 2.061 -2.149 429 HD12 ILE 51 HD12 ILE 51 -3.677 1.067 -1.796 430 HD13 ILE 51 HD13 ILE 51 -3.163 1.314 -3.467 431 H ASP 52 H ASP 52 0.128 -1.886 -5.675 432 HA ASP 52 HA ASP 52 2.973 -1.847 -6.040 433 HB2 ASP 52 HB2 ASP 52 1.543 -3.408 -7.154 434 HB3 ASP 52 HB3 ASP 52 0.690 -2.124 -7.991 435 HA PRO 53 HA PRO 53 3.080 2.498 -6.867 436 HB2 PRO 53 HB2 PRO 53 5.595 2.684 -7.794 437 HB3 PRO 53 HB3 PRO 53 5.234 2.343 -6.092 438 HG2 PRO 53 HG2 PRO 53 5.949 0.421 -8.279 439 HG3 PRO 53 HG3 PRO 53 6.605 0.528 -6.637 440 HD2 PRO 53 HD2 PRO 53 4.698 -1.247 -7.296 441 HD3 PRO 53 HD3 PRO 53 4.759 -0.481 -5.692 442 H LYS 54 H LYS 54 2.568 0.299 -9.245 443 HA LYS 54 HA LYS 54 2.904 2.358 -11.295 444 HB2 LYS 54 HB2 LYS 54 2.984 -0.625 -11.654 445 HB3 LYS 54 HB3 LYS 54 2.903 0.514 -12.987 446 HG2 LYS 54 HG2 LYS 54 5.126 0.258 -10.964 447 HG3 LYS 54 HG3 LYS 54 5.174 -0.242 -12.650 448 HD2 LYS 54 HD2 LYS 54 4.925 2.604 -11.626 449 HD3 LYS 54 HD3 LYS 54 6.340 1.879 -12.372 450 HE2 LYS 54 HE2 LYS 54 3.673 2.339 -13.723 451 HE3 LYS 54 HE3 LYS 54 5.118 3.313 -13.940 452 HZ1 LYS 54 HZ1 LYS 54 6.231 1.388 -14.896 453 HZ2 LYS 54 HZ2 LYS 54 4.821 1.741 -15.730 454 HZ3 LYS 54 HZ3 LYS 54 4.851 0.442 -14.680 455 H LEU 55 H LEU 55 0.484 1.214 -9.431 456 HA LEU 55 HA LEU 55 -1.552 0.727 -11.279 457 HB2 LEU 55 HB2 LEU 55 -1.500 1.904 -8.546 458 HB3 LEU 55 HB3 LEU 55 -3.004 1.691 -9.364 459 HG LEU 55 HG LEU 55 -1.081 -0.446 -8.394 460 HD11 LEU 55 HD11 LEU 55 -3.929 0.175 -7.663 461 HD12 LEU 55 HD12 LEU 55 -2.514 0.619 -6.709 462 HD13 LEU 55 HD13 LEU 55 -2.923 -1.084 -6.951 463 HD21 LEU 55 HD21 LEU 55 -2.747 -2.075 -9.140 464 HD22 LEU 55 HD22 LEU 55 -2.051 -1.191 -10.511 465 HD23 LEU 55 HD23 LEU 55 -3.664 -0.791 -9.901 466 H LYS 56 H LYS 56 -3.169 2.164 -12.110 467 HA LYS 56 HA LYS 56 -2.018 4.493 -13.193 468 HB2 LYS 56 HB2 LYS 56 -3.687 3.245 -14.427 469 HB3 LYS 56 HB3 LYS 56 -4.913 3.644 -13.224 470 HG2 LYS 56 HG2 LYS 56 -4.704 6.006 -13.784 471 HG3 LYS 56 HG3 LYS 56 -3.462 5.619 -14.971 472 HD2 LYS 56 HD2 LYS 56 -5.081 4.291 -16.223 473 HD3 LYS 56 HD3 LYS 56 -6.323 4.676 -15.027 474 HE2 LYS 56 HE2 LYS 56 -6.108 7.054 -15.548 475 HE3 LYS 56 HE3 LYS 56 -4.834 6.686 -16.710 476 HZ1 LYS 56 HZ1 LYS 56 -7.656 5.790 -16.895 477 HZ2 LYS 56 HZ2 LYS 56 -6.419 5.441 -18.002 478 HZ3 LYS 56 HZ3 LYS 56 -6.926 7.047 -17.776 479 H TRP 57 H TRP 57 -4.609 4.160 -10.766 480 HA TRP 57 HA TRP 57 -4.823 6.970 -10.421 481 HB2 TRP 57 HB2 TRP 57 -6.233 6.497 -8.489 482 HB3 TRP 57 HB3 TRP 57 -6.646 5.382 -9.781 483 HD1 TRP 57 HD1 TRP 57 -5.844 2.757 -9.402 484 HE1 TRP 57 HE1 TRP 57 -5.439 1.478 -7.249 485 HE3 TRP 57 HE3 TRP 57 -5.433 6.695 -6.192 486 HZ2 TRP 57 HZ2 TRP 57 -4.996 2.034 -4.529 487 HZ3 TRP 57 HZ3 TRP 57 -5.038 6.243 -3.825 488 HH2 TRP 57 HH2 TRP 57 -4.817 3.945 -2.998 489 H ILE 58 H ILE 58 -2.669 4.622 -9.274 490 HA ILE 58 HA ILE 58 -1.597 6.109 -7.102 491 HB ILE 58 HB ILE 58 -0.655 3.706 -8.641 492 HG12 ILE 58 HG12 ILE 58 -2.404 3.293 -7.033 493 HG13 ILE 58 HG13 ILE 58 -0.906 2.550 -6.498 494 HG21 ILE 58 HG21 ILE 58 1.211 3.418 -7.174 495 HG22 ILE 58 HG22 ILE 58 0.919 5.002 -6.438 496 HG23 ILE 58 HG23 ILE 58 1.370 4.882 -8.148 497 HD11 ILE 58 HD11 ILE 58 -0.544 4.405 -4.932 498 HD12 ILE 58 HD12 ILE 58 -2.069 3.572 -4.630 499 HD13 ILE 58 HD13 ILE 58 -2.071 5.128 -5.443 500 H GLN 59 H GLN 59 -0.876 5.809 -10.535 501 HA GLN 59 HA GLN 59 1.465 7.390 -10.453 502 HB2 GLN 59 HB2 GLN 59 -0.529 7.189 -12.718 503 HB3 GLN 59 HB3 GLN 59 1.105 7.828 -12.835 504 HG2 GLN 59 HG2 GLN 59 0.273 4.979 -12.337 505 HG3 GLN 59 HG3 GLN 59 1.092 5.641 -13.753 506 HE21 GLN 59 HE21 GLN 59 1.395 4.610 -10.530 507 HE22 GLN 59 HE22 GLN 59 3.117 4.557 -10.438 508 H GLU 60 H GLU 60 -1.928 8.138 -10.814 509 HA GLU 60 HA GLU 60 -1.807 10.918 -11.081 510 HB2 GLU 60 HB2 GLU 60 -3.857 9.268 -9.586 511 HB3 GLU 60 HB3 GLU 60 -4.075 10.921 -10.132 512 HG2 GLU 60 HG2 GLU 60 -3.653 8.531 -11.914 513 HG3 GLU 60 HG3 GLU 60 -5.198 9.310 -11.583 514 H TYR 61 H TYR 61 -1.960 8.874 -8.195 515 HA TYR 61 HA TYR 61 -1.939 10.893 -6.252 516 HB2 TYR 61 HB2 TYR 61 -2.504 8.486 -5.805 517 HB3 TYR 61 HB3 TYR 61 -0.806 8.091 -5.984 518 HD1 TYR 61 HD1 TYR 61 -3.251 9.892 -3.890 519 HD2 TYR 61 HD2 TYR 61 0.748 8.421 -4.130 520 HE1 TYR 61 HE1 TYR 61 -2.931 10.351 -1.493 521 HE2 TYR 61 HE2 TYR 61 1.064 8.874 -1.763 522 HH TYR 61 HH TYR 61 0.089 10.407 -0.069 523 H LEU 62 H LEU 62 0.765 9.001 -7.593 524 HA LEU 62 HA LEU 62 2.746 10.345 -6.134 525 HB2 LEU 62 HB2 LEU 62 2.847 8.602 -8.545 526 HB3 LEU 62 HB3 LEU 62 4.274 9.505 -8.094 527 HG LEU 62 HG LEU 62 4.290 8.362 -5.891 528 HD11 LEU 62 HD11 LEU 62 1.988 6.793 -6.941 529 HD12 LEU 62 HD12 LEU 62 1.959 7.950 -5.616 530 HD13 LEU 62 HD13 LEU 62 2.890 6.457 -5.456 531 HD21 LEU 62 HD21 LEU 62 5.566 7.488 -7.727 532 HD22 LEU 62 HD22 LEU 62 4.184 6.506 -8.240 533 HD23 LEU 62 HD23 LEU 62 4.973 6.192 -6.683 534 H GLU 63 H GLU 63 1.573 10.918 -9.446 535 HA GLU 63 HA GLU 63 3.361 12.990 -9.931 536 HB2 GLU 63 HB2 GLU 63 0.667 12.477 -11.162 537 HB3 GLU 63 HB3 GLU 63 1.712 13.804 -11.653 538 HG2 GLU 63 HG2 GLU 63 3.455 12.155 -12.231 539 HG3 GLU 63 HG3 GLU 63 2.323 10.864 -11.838 540 H LYS 64 H LYS 64 0.107 13.164 -8.508 541 HA LYS 64 HA LYS 64 0.288 15.986 -8.366 542 HB2 LYS 64 HB2 LYS 64 -1.664 15.996 -7.008 543 HB3 LYS 64 HB3 LYS 64 -1.870 14.778 -8.249 544 HG2 LYS 64 HG2 LYS 64 -1.324 13.057 -6.613 545 HG3 LYS 64 HG3 LYS 64 -1.189 14.311 -5.375 546 HD2 LYS 64 HD2 LYS 64 -3.475 15.021 -5.930 547 HD3 LYS 64 HD3 LYS 64 -3.600 13.636 -7.014 548 HE2 LYS 64 HE2 LYS 64 -4.611 13.014 -4.929 549 HE3 LYS 64 HE3 LYS 64 -3.060 12.177 -5.118 550 HZ1 LYS 64 HZ1 LYS 64 -3.470 14.616 -3.465 551 HZ2 LYS 64 HZ2 LYS 64 -2.028 13.790 -3.630 552 HZ3 LYS 64 HZ3 LYS 64 -3.323 13.057 -2.854 553 H ALA 65 H ALA 65 1.384 13.408 -6.322 554 HA ALA 65 HA ALA 65 1.876 14.874 -3.999 555 HB1 ALA 65 HB1 ALA 65 3.342 13.053 -3.342 556 HB2 ALA 65 HB2 ALA 65 3.372 12.461 -5.001 557 HB3 ALA 65 HB3 ALA 65 1.870 12.420 -4.084 558 H LEU 66 H LEU 66 4.013 14.241 -6.807 559 HA LEU 66 HA LEU 66 5.931 15.956 -5.449 560 HB2 LEU 66 HB2 LEU 66 7.673 15.294 -6.879 561 HB3 LEU 66 HB3 LEU 66 6.758 13.849 -6.558 562 HG LEU 66 HG LEU 66 6.776 15.444 -9.121 563 HD11 LEU 66 HD11 LEU 66 7.910 13.486 -10.041 564 HD12 LEU 66 HD12 LEU 66 7.934 12.757 -8.437 565 HD13 LEU 66 HD13 LEU 66 8.832 14.241 -8.744 566 HD21 LEU 66 HD21 LEU 66 4.619 14.383 -8.785 567 HD22 LEU 66 HD22 LEU 66 5.419 12.836 -8.503 568 HD23 LEU 66 HD23 LEU 66 5.515 13.610 -10.091 569 H ASN 67 H ASN 67 3.717 16.233 -8.091 570 HA ASN 67 HA ASN 67 5.010 18.604 -9.105 571 HB2 ASN 67 HB2 ASN 67 2.338 17.387 -9.805 572 HB3 ASN 67 HB3 ASN 67 2.972 18.842 -10.559 573 HD21 ASN 67 HD21 ASN 67 2.291 16.283 -11.708 574 HD22 ASN 67 HD22 ASN 67 3.719 15.703 -12.497 575 H LYS 68 H LYS 68 2.453 17.929 -6.816 576 HA LYS 68 HA LYS 68 2.040 20.807 -6.628 577 HB2 LYS 68 HB2 LYS 68 0.304 18.523 -5.641 578 HB3 LYS 68 HB3 LYS 68 -0.029 20.227 -5.380 579 HG2 LYS 68 HG2 LYS 68 -0.282 20.556 -7.795 580 HG3 LYS 68 HG3 LYS 68 0.074 18.847 -8.063 581 HD2 LYS 68 HD2 LYS 68 -1.906 18.210 -6.799 582 HD3 LYS 68 HD3 LYS 68 -2.232 19.896 -6.413 583 HE2 LYS 68 HE2 LYS 68 -3.683 19.141 -8.203 584 HE3 LYS 68 HE3 LYS 68 -2.579 20.374 -8.792 585 HZ1 LYS 68 HZ1 LYS 68 -2.823 18.569 -10.346 586 HZ2 LYS 68 HZ2 LYS 68 -2.287 17.435 -9.246 587 HZ3 LYS 68 HZ3 LYS 68 -1.244 18.631 -9.834 Start of MODEL 3 1 H LYS 1 H LYS 1 10.548 -26.501 -4.791 2 HA LYS 1 HA LYS 1 9.467 -24.401 -4.525 3 HB2 LYS 1 HB2 LYS 1 7.247 -25.289 -3.806 4 HB3 LYS 1 HB3 LYS 1 7.970 -25.828 -2.307 5 HG2 LYS 1 HG2 LYS 1 6.721 -23.807 -1.923 6 HG3 LYS 1 HG3 LYS 1 8.436 -23.498 -1.690 7 HD2 LYS 1 HD2 LYS 1 7.446 -21.643 -2.891 8 HD3 LYS 1 HD3 LYS 1 8.521 -22.507 -3.978 9 HE2 LYS 1 HE2 LYS 1 6.454 -21.892 -5.116 10 HE3 LYS 1 HE3 LYS 1 6.580 -23.642 -4.985 11 HZ1 LYS 1 HZ1 LYS 1 5.018 -23.587 -3.142 12 HZ2 LYS 1 HZ2 LYS 1 4.344 -22.751 -4.458 13 HZ3 LYS 1 HZ3 LYS 1 5.006 -21.909 -3.174 14 HA PRO 2 HA PRO 2 12.885 -24.398 -1.558 15 HB2 PRO 2 HB2 PRO 2 13.825 -21.938 -2.150 16 HB3 PRO 2 HB3 PRO 2 14.142 -23.329 -3.196 17 HG2 PRO 2 HG2 PRO 2 12.119 -21.156 -3.489 18 HG3 PRO 2 HG3 PRO 2 13.157 -21.888 -4.724 19 HD2 PRO 2 HD2 PRO 2 10.536 -22.563 -4.372 20 HD3 PRO 2 HD3 PRO 2 11.760 -23.681 -5.011 21 H VAL 3 H VAL 3 12.840 -23.710 0.517 22 HA VAL 3 HA VAL 3 10.723 -21.883 1.265 23 HB VAL 3 HB VAL 3 12.529 -23.570 3.024 24 HG11 VAL 3 HG11 VAL 3 10.013 -22.046 3.682 25 HG12 VAL 3 HG12 VAL 3 11.648 -21.638 4.201 26 HG13 VAL 3 HG13 VAL 3 10.880 -23.117 4.781 27 HG21 VAL 3 HG21 VAL 3 10.585 -25.050 3.296 28 HG22 VAL 3 HG22 VAL 3 11.113 -24.969 1.613 29 HG23 VAL 3 HG23 VAL 3 9.684 -24.074 2.134 30 H SER 4 H SER 4 11.351 -19.803 1.102 31 HA SER 4 HA SER 4 13.935 -19.146 2.268 32 HB2 SER 4 HB2 SER 4 13.965 -17.170 0.711 33 HB3 SER 4 HB3 SER 4 14.059 -18.727 -0.100 34 HG SER 4 HG SER 4 12.401 -16.798 -0.541 35 H LEU 5 H LEU 5 13.802 -18.116 4.086 36 HA LEU 5 HA LEU 5 11.338 -16.739 4.872 37 HB2 LEU 5 HB2 LEU 5 13.834 -17.465 6.424 38 HB3 LEU 5 HB3 LEU 5 12.429 -16.686 7.113 39 HG LEU 5 HG LEU 5 12.501 -19.469 5.947 40 HD11 LEU 5 HD11 LEU 5 13.705 -19.315 8.050 41 HD12 LEU 5 HD12 LEU 5 12.192 -20.200 8.258 42 HD13 LEU 5 HD13 LEU 5 12.318 -18.525 8.801 43 HD21 LEU 5 HD21 LEU 5 10.276 -17.980 7.344 44 HD22 LEU 5 HD22 LEU 5 10.237 -19.680 6.887 45 HD23 LEU 5 HD23 LEU 5 10.306 -18.439 5.640 46 H SER 6 H SER 6 12.945 -15.635 2.871 47 HA SER 6 HA SER 6 14.735 -13.678 3.813 48 HB2 SER 6 HB2 SER 6 13.312 -13.923 1.179 49 HB3 SER 6 HB3 SER 6 14.838 -13.098 1.503 50 HG SER 6 HG SER 6 15.843 -14.951 1.761 51 H TYR 7 H TYR 7 13.809 -12.146 5.150 52 HA TYR 7 HA TYR 7 11.578 -10.651 4.006 53 HB2 TYR 7 HB2 TYR 7 12.217 -10.969 6.948 54 HB3 TYR 7 HB3 TYR 7 10.974 -9.905 6.306 55 HD1 TYR 7 HD1 TYR 7 9.052 -10.964 5.004 56 HD2 TYR 7 HD2 TYR 7 11.764 -13.228 7.366 57 HE1 TYR 7 HE1 TYR 7 7.444 -12.826 5.060 58 HE2 TYR 7 HE2 TYR 7 10.169 -15.090 7.427 59 HH TYR 7 HH TYR 7 7.465 -15.284 5.407 60 H ARG 8 H ARG 8 13.022 -9.454 2.780 61 HA ARG 8 HA ARG 8 14.723 -7.612 4.184 62 HB2 ARG 8 HB2 ARG 8 15.741 -8.820 2.385 63 HB3 ARG 8 HB3 ARG 8 14.388 -8.455 1.325 64 HG2 ARG 8 HG2 ARG 8 14.940 -6.168 1.398 65 HG3 ARG 8 HG3 ARG 8 16.348 -6.495 2.434 66 HD2 ARG 8 HD2 ARG 8 15.888 -7.570 -0.363 67 HD3 ARG 8 HD3 ARG 8 17.006 -6.269 0.037 68 HE ARG 8 HE ARG 8 17.826 -8.293 1.613 69 HH11 ARG 8 HH11 ARG 8 17.174 -8.168 -1.865 70 HH12 ARG 8 HH12 ARG 8 18.413 -9.259 -2.263 71 HH21 ARG 8 HH21 ARG 8 19.476 -9.781 1.073 72 HH22 ARG 8 HH22 ARG 8 19.777 -10.223 -0.540 73 H CYS 9 H CYS 9 11.828 -7.974 2.591 74 HA CYS 9 HA CYS 9 11.552 -5.067 2.282 75 HB2 CYS 9 HB2 CYS 9 10.161 -7.254 0.756 76 HB3 CYS 9 HB3 CYS 9 9.916 -5.528 0.532 77 HA PRO 10 HA PRO 10 8.164 -5.116 5.282 78 HB2 PRO 10 HB2 PRO 10 7.397 -2.795 3.515 79 HB3 PRO 10 HB3 PRO 10 7.458 -2.885 5.284 80 HG2 PRO 10 HG2 PRO 10 9.358 -1.637 3.966 81 HG3 PRO 10 HG3 PRO 10 9.782 -2.708 5.316 82 HD2 PRO 10 HD2 PRO 10 9.989 -3.193 2.374 83 HD3 PRO 10 HD3 PRO 10 11.112 -3.634 3.682 84 H CYS 11 H CYS 11 7.775 -4.836 1.767 85 HA CYS 11 HA CYS 11 5.293 -6.389 2.000 86 HB2 CYS 11 HB2 CYS 11 6.008 -4.256 0.004 87 HB3 CYS 11 HB3 CYS 11 4.617 -5.320 -0.152 88 H ARG 12 H ARG 12 5.060 -8.096 0.609 89 HA ARG 12 HA ARG 12 7.208 -8.542 -1.341 90 HB2 ARG 12 HB2 ARG 12 5.869 -10.667 0.349 91 HB3 ARG 12 HB3 ARG 12 7.038 -10.981 -0.924 92 HG2 ARG 12 HG2 ARG 12 8.703 -9.649 0.379 93 HG3 ARG 12 HG3 ARG 12 7.522 -9.552 1.684 94 HD2 ARG 12 HD2 ARG 12 8.649 -12.076 0.507 95 HD3 ARG 12 HD3 ARG 12 9.150 -11.365 2.040 96 HE ARG 12 HE ARG 12 6.598 -11.706 2.515 97 HH11 ARG 12 HH11 ARG 12 8.774 -13.918 0.802 98 HH12 ARG 12 HH12 ARG 12 8.027 -15.339 1.356 99 HH21 ARG 12 HH21 ARG 12 5.550 -13.692 3.295 100 HH22 ARG 12 HH22 ARG 12 6.146 -15.211 2.805 101 H PHE 13 H PHE 13 4.031 -7.921 -0.945 102 HA PHE 13 HA PHE 13 3.489 -8.807 -3.622 103 HB2 PHE 13 HB2 PHE 13 1.265 -9.683 -3.057 104 HB3 PHE 13 HB3 PHE 13 2.489 -10.581 -2.178 105 HD1 PHE 13 HD1 PHE 13 2.687 -10.307 0.273 106 HD2 PHE 13 HD2 PHE 13 -0.364 -8.324 -1.939 107 HE1 PHE 13 HE1 PHE 13 1.459 -9.867 2.358 108 HE2 PHE 13 HE2 PHE 13 -1.594 -7.882 0.141 109 HZ PHE 13 HZ PHE 13 -0.686 -8.653 2.292 110 H PHE 14 H PHE 14 1.976 -7.429 -4.643 111 HA PHE 14 HA PHE 14 1.040 -5.079 -3.118 112 HB2 PHE 14 HB2 PHE 14 2.157 -5.074 -5.896 113 HB3 PHE 14 HB3 PHE 14 1.643 -3.664 -4.983 114 HD1 PHE 14 HD1 PHE 14 3.058 -3.096 -2.908 115 HD2 PHE 14 HD2 PHE 14 4.325 -5.764 -5.957 116 HE1 PHE 14 HE1 PHE 14 5.364 -2.817 -2.189 117 HE2 PHE 14 HE2 PHE 14 6.650 -5.489 -5.247 118 HZ PHE 14 HZ PHE 14 7.187 -4.012 -3.358 119 H GLU 15 H GLU 15 -0.942 -4.346 -3.885 120 HA GLU 15 HA GLU 15 -2.226 -6.243 -5.619 121 HB2 GLU 15 HB2 GLU 15 -3.363 -4.087 -3.870 122 HB3 GLU 15 HB3 GLU 15 -4.352 -4.841 -5.116 123 HG2 GLU 15 HG2 GLU 15 -3.908 -6.996 -4.166 124 HG3 GLU 15 HG3 GLU 15 -2.962 -6.270 -2.858 125 H SER 16 H SER 16 -2.899 -6.017 -7.572 126 HA SER 16 HA SER 16 -1.963 -3.688 -9.022 127 HB2 SER 16 HB2 SER 16 -2.339 -5.163 -11.008 128 HB3 SER 16 HB3 SER 16 -1.198 -5.824 -9.834 129 HG SER 16 HG SER 16 -2.578 -7.366 -9.323 130 H HIS 17 H HIS 17 -4.758 -4.771 -7.637 131 HA HIS 17 HA HIS 17 -6.312 -2.931 -9.263 132 HB2 HIS 17 HB2 HIS 17 -6.909 -5.191 -10.047 133 HB3 HIS 17 HB3 HIS 17 -7.271 -5.675 -8.396 134 HD1 HIS 17 HD1 HIS 17 -8.599 -3.564 -11.216 135 HD2 HIS 17 HD2 HIS 17 -9.792 -4.920 -7.474 136 HE1 HIS 17 HE1 HIS 17 -11.033 -3.046 -11.062 137 HE2 HIS 17 HE2 HIS 17 -11.767 -3.978 -8.846 138 H VAL 18 H VAL 18 -6.184 -1.411 -7.715 139 HA VAL 18 HA VAL 18 -7.381 -2.125 -5.169 140 HB VAL 18 HB VAL 18 -5.326 0.038 -5.673 141 HG11 VAL 18 HG11 VAL 18 -6.511 -0.970 -3.069 142 HG12 VAL 18 HG12 VAL 18 -6.822 0.593 -3.807 143 HG13 VAL 18 HG13 VAL 18 -5.210 0.215 -3.195 144 HG21 VAL 18 HG21 VAL 18 -3.771 -1.395 -4.390 145 HG22 VAL 18 HG22 VAL 18 -4.324 -2.170 -5.868 146 HG23 VAL 18 HG23 VAL 18 -4.997 -2.650 -4.318 147 H ALA 19 H ALA 19 -8.915 -0.530 -4.322 148 HA ALA 19 HA ALA 19 -9.825 1.311 -6.375 149 HB1 ALA 19 HB1 ALA 19 -11.259 0.188 -3.968 150 HB2 ALA 19 HB2 ALA 19 -11.482 -0.335 -5.639 151 HB3 ALA 19 HB3 ALA 19 -11.960 1.291 -5.149 152 H ARG 20 H ARG 20 -9.681 3.413 -6.015 153 HA ARG 20 HA ARG 20 -8.200 4.384 -3.801 154 HB2 ARG 20 HB2 ARG 20 -8.040 5.402 -5.994 155 HB3 ARG 20 HB3 ARG 20 -9.735 5.840 -5.941 156 HG2 ARG 20 HG2 ARG 20 -9.331 7.439 -4.207 157 HG3 ARG 20 HG3 ARG 20 -7.657 6.891 -4.040 158 HD2 ARG 20 HD2 ARG 20 -7.134 7.564 -6.195 159 HD3 ARG 20 HD3 ARG 20 -8.802 8.022 -6.583 160 HE ARG 20 HE ARG 20 -7.783 9.420 -4.329 161 HH11 ARG 20 HH11 ARG 20 -7.616 9.350 -7.873 162 HH12 ARG 20 HH12 ARG 20 -7.298 11.009 -8.045 163 HH21 ARG 20 HH21 ARG 20 -7.343 11.773 -4.608 164 HH22 ARG 20 HH22 ARG 20 -7.171 12.373 -6.191 165 H ALA 21 H ALA 21 -11.486 3.911 -4.421 166 HA ALA 21 HA ALA 21 -12.444 5.647 -2.337 167 HB1 ALA 21 HB1 ALA 21 -13.840 3.462 -3.858 168 HB2 ALA 21 HB2 ALA 21 -13.830 5.175 -4.291 169 HB3 ALA 21 HB3 ALA 21 -14.621 4.638 -2.804 170 H ASN 22 H ASN 22 -10.904 2.620 -2.394 171 HA ASN 22 HA ASN 22 -12.259 1.783 0.068 172 HB2 ASN 22 HB2 ASN 22 -12.171 0.172 -1.830 173 HB3 ASN 22 HB3 ASN 22 -10.418 0.187 -1.695 174 HD21 ASN 22 HD21 ASN 22 -10.239 -1.847 -1.155 175 HD22 ASN 22 HD22 ASN 22 -10.755 -2.610 0.296 176 H VAL 23 H VAL 23 -9.350 3.308 -1.000 177 HA VAL 23 HA VAL 23 -7.887 2.242 1.220 178 HB VAL 23 HB VAL 23 -6.104 3.711 0.438 179 HG11 VAL 23 HG11 VAL 23 -7.317 1.971 -1.708 180 HG12 VAL 23 HG12 VAL 23 -6.237 1.441 -0.419 181 HG13 VAL 23 HG13 VAL 23 -5.639 2.514 -1.685 182 HG21 VAL 23 HG21 VAL 23 -7.355 5.530 -0.540 183 HG22 VAL 23 HG22 VAL 23 -8.019 4.456 -1.761 184 HG23 VAL 23 HG23 VAL 23 -6.295 4.840 -1.773 185 H LYS 24 H LYS 24 -7.781 3.139 3.182 186 HA LYS 24 HA LYS 24 -9.021 5.753 3.448 187 HB2 LYS 24 HB2 LYS 24 -9.130 5.441 5.827 188 HB3 LYS 24 HB3 LYS 24 -9.843 4.072 5.015 189 HG2 LYS 24 HG2 LYS 24 -7.874 2.732 5.488 190 HG3 LYS 24 HG3 LYS 24 -7.113 4.123 6.264 191 HD2 LYS 24 HD2 LYS 24 -9.663 2.753 7.152 192 HD3 LYS 24 HD3 LYS 24 -8.095 2.649 7.953 193 HE2 LYS 24 HE2 LYS 24 -8.184 5.125 8.327 194 HE3 LYS 24 HE3 LYS 24 -9.774 5.135 7.606 195 HZ1 LYS 24 HZ1 LYS 24 -9.917 5.112 9.987 196 HZ2 LYS 24 HZ2 LYS 24 -9.058 3.674 10.075 197 HZ3 LYS 24 HZ3 LYS 24 -10.585 3.712 9.344 198 H HIS 25 H HIS 25 -5.913 4.196 4.033 199 HA HIS 25 HA HIS 25 -4.861 6.889 4.021 200 HB2 HIS 25 HB2 HIS 25 -3.235 6.558 5.792 201 HB3 HIS 25 HB3 HIS 25 -4.833 6.228 6.472 202 HD1 HIS 25 HD1 HIS 25 -2.448 5.607 7.999 203 HD2 HIS 25 HD2 HIS 25 -3.854 2.938 5.178 204 HE1 HIS 25 HE1 HIS 25 -1.488 3.403 8.653 205 HE2 HIS 25 HE2 HIS 25 -2.542 1.765 7.123 206 H LEU 26 H LEU 26 -3.032 7.234 3.009 207 HA LEU 26 HA LEU 26 -1.908 4.920 1.619 208 HB2 LEU 26 HB2 LEU 26 -1.961 7.835 0.800 209 HB3 LEU 26 HB3 LEU 26 -1.041 6.611 -0.030 210 HG LEU 26 HG LEU 26 -2.969 7.086 -1.315 211 HD11 LEU 26 HD11 LEU 26 -4.084 4.937 -1.471 212 HD12 LEU 26 HD12 LEU 26 -3.373 4.459 0.068 213 HD13 LEU 26 HD13 LEU 26 -2.336 4.784 -1.324 214 HD21 LEU 26 HD21 LEU 26 -4.397 8.090 0.387 215 HD22 LEU 26 HD22 LEU 26 -4.653 6.510 1.126 216 HD23 LEU 26 HD23 LEU 26 -5.275 6.838 -0.493 217 H LYS 27 H LYS 27 0.144 4.465 1.945 218 HA LYS 27 HA LYS 27 1.905 6.471 3.150 219 HB2 LYS 27 HB2 LYS 27 0.964 4.982 4.885 220 HB3 LYS 27 HB3 LYS 27 1.512 3.578 4.019 221 HG2 LYS 27 HG2 LYS 27 3.859 4.403 4.337 222 HG3 LYS 27 HG3 LYS 27 3.199 5.696 5.342 223 HD2 LYS 27 HD2 LYS 27 2.905 2.729 5.846 224 HD3 LYS 27 HD3 LYS 27 3.983 3.818 6.712 225 HE2 LYS 27 HE2 LYS 27 0.955 4.006 6.682 226 HE3 LYS 27 HE3 LYS 27 1.922 3.310 7.968 227 HZ1 LYS 27 HZ1 LYS 27 2.949 5.465 8.315 228 HZ2 LYS 27 HZ2 LYS 27 1.299 5.526 8.530 229 HZ3 LYS 27 HZ3 LYS 27 1.967 6.179 7.130 230 H ILE 28 H ILE 28 3.709 6.523 1.810 231 HA ILE 28 HA ILE 28 4.086 4.125 0.188 232 HB ILE 28 HB ILE 28 4.744 6.988 -0.488 233 HG12 ILE 28 HG12 ILE 28 2.692 5.086 -1.622 234 HG13 ILE 28 HG13 ILE 28 2.359 6.509 -0.645 235 HG21 ILE 28 HG21 ILE 28 6.409 5.468 -1.429 236 HG22 ILE 28 HG22 ILE 28 5.375 6.092 -2.728 237 HG23 ILE 28 HG23 ILE 28 5.124 4.461 -2.097 238 HD11 ILE 28 HD11 ILE 28 3.499 6.443 -3.431 239 HD12 ILE 28 HD12 ILE 28 3.227 7.914 -2.480 240 HD13 ILE 28 HD13 ILE 28 1.865 6.903 -2.982 241 H LEU 29 H LEU 29 5.907 2.993 0.489 242 HA LEU 29 HA LEU 29 7.969 4.284 2.086 243 HB2 LEU 29 HB2 LEU 29 6.720 2.588 3.328 244 HB3 LEU 29 HB3 LEU 29 7.084 1.414 2.079 245 HG LEU 29 HG LEU 29 9.405 1.374 2.663 246 HD11 LEU 29 HD11 LEU 29 10.298 2.744 4.519 247 HD12 LEU 29 HD12 LEU 29 8.734 3.542 4.677 248 HD13 LEU 29 HD13 LEU 29 9.685 3.760 3.209 249 HD21 LEU 29 HD21 LEU 29 9.258 0.536 4.951 250 HD22 LEU 29 HD22 LEU 29 7.894 -0.013 3.972 251 HD23 LEU 29 HD23 LEU 29 7.676 1.297 5.130 252 H ASN 30 H ASN 30 9.681 4.673 0.980 253 HA ASN 30 HA ASN 30 10.490 3.016 -1.288 254 HB2 ASN 30 HB2 ASN 30 11.880 5.447 -0.091 255 HB3 ASN 30 HB3 ASN 30 12.186 4.713 -1.660 256 HD21 ASN 30 HD21 ASN 30 10.075 6.729 0.205 257 HD22 ASN 30 HD22 ASN 30 9.177 7.361 -1.109 258 H THR 31 H THR 31 12.106 1.412 -1.020 259 HA THR 31 HA THR 31 13.378 1.442 1.600 260 HB THR 31 HB THR 31 12.323 -0.826 -0.059 261 HG1 THR 31 HG1 THR 31 11.159 0.814 1.577 262 HG21 THR 31 HG21 THR 31 12.752 -2.209 1.865 263 HG22 THR 31 HG22 THR 31 13.539 -0.861 2.692 264 HG23 THR 31 HG23 THR 31 14.260 -1.537 1.208 265 HA PRO 32 HA PRO 32 17.183 1.829 -0.691 266 HB2 PRO 32 HB2 PRO 32 18.341 0.071 1.413 267 HB3 PRO 32 HB3 PRO 32 18.885 1.655 0.853 268 HG2 PRO 32 HG2 PRO 32 17.625 1.422 3.169 269 HG3 PRO 32 HG3 PRO 32 17.290 2.787 2.090 270 HD2 PRO 32 HD2 PRO 32 15.658 0.337 2.602 271 HD3 PRO 32 HD3 PRO 32 15.142 2.010 2.346 272 H ASN 33 H ASN 33 16.758 -1.415 0.659 273 HA ASN 33 HA ASN 33 18.199 -2.533 -1.643 274 HB2 ASN 33 HB2 ASN 33 17.430 -3.815 0.987 275 HB3 ASN 33 HB3 ASN 33 18.322 -4.608 -0.297 276 HD21 ASN 33 HD21 ASN 33 18.416 -2.221 2.176 277 HD22 ASN 33 HD22 ASN 33 20.120 -2.030 2.256 278 H CYS 34 H CYS 34 15.254 -1.661 -1.476 279 HA CYS 34 HA CYS 34 14.255 -4.111 -2.636 280 HB2 CYS 34 HB2 CYS 34 13.536 -3.907 -0.165 281 HB3 CYS 34 HB3 CYS 34 12.594 -2.550 -0.697 282 H ALA 35 H ALA 35 11.988 -3.561 -3.549 283 HA ALA 35 HA ALA 35 12.276 -1.309 -5.306 284 HB1 ALA 35 HB1 ALA 35 10.172 -2.118 -6.275 285 HB2 ALA 35 HB2 ALA 35 10.023 -3.287 -4.962 286 HB3 ALA 35 HB3 ALA 35 11.346 -3.427 -6.121 287 H LEU 36 H LEU 36 10.078 -0.020 -5.586 288 HA LEU 36 HA LEU 36 9.716 1.311 -3.068 289 HB2 LEU 36 HB2 LEU 36 9.759 2.273 -5.519 290 HB3 LEU 36 HB3 LEU 36 8.073 1.814 -5.520 291 HG LEU 36 HG LEU 36 9.457 3.898 -3.891 292 HD11 LEU 36 HD11 LEU 36 8.737 4.621 -5.988 293 HD12 LEU 36 HD12 LEU 36 7.706 5.338 -4.752 294 HD13 LEU 36 HD13 LEU 36 7.107 3.988 -5.721 295 HD21 LEU 36 HD21 LEU 36 7.417 4.275 -2.623 296 HD22 LEU 36 HD22 LEU 36 8.078 2.661 -2.321 297 HD23 LEU 36 HD23 LEU 36 6.681 2.854 -3.370 298 H GLN 37 H GLN 37 8.199 0.712 -1.622 299 HA GLN 37 HA GLN 37 5.974 -0.958 -2.557 300 HB2 GLN 37 HB2 GLN 37 7.276 -0.677 0.126 301 HB3 GLN 37 HB3 GLN 37 5.944 -1.765 -0.261 302 HG2 GLN 37 HG2 GLN 37 7.242 -3.213 -1.315 303 HG3 GLN 37 HG3 GLN 37 8.313 -1.974 -1.987 304 HE21 GLN 37 HE21 GLN 37 9.854 -1.194 -0.793 305 HE22 GLN 37 HE22 GLN 37 10.499 -1.897 0.622 306 H ILE 38 H ILE 38 4.015 -0.040 -2.465 307 HA ILE 38 HA ILE 38 3.638 2.326 -0.793 308 HB ILE 38 HB ILE 38 1.938 1.086 -2.951 309 HG12 ILE 38 HG12 ILE 38 3.515 3.656 -3.030 310 HG13 ILE 38 HG13 ILE 38 3.985 2.147 -3.807 311 HG21 ILE 38 HG21 ILE 38 0.484 2.182 -1.370 312 HG22 ILE 38 HG22 ILE 38 0.558 3.180 -2.824 313 HG23 ILE 38 HG23 ILE 38 1.474 3.633 -1.386 314 HD11 ILE 38 HD11 ILE 38 1.531 3.767 -4.437 315 HD12 ILE 38 HD12 ILE 38 2.028 2.263 -5.230 316 HD13 ILE 38 HD13 ILE 38 3.022 3.728 -5.374 317 H VAL 39 H VAL 39 2.141 2.241 0.884 318 HA VAL 39 HA VAL 39 0.906 -0.390 1.381 319 HB VAL 39 HB VAL 39 1.992 1.515 3.482 320 HG11 VAL 39 HG11 VAL 39 0.916 -1.285 3.744 321 HG12 VAL 39 HG12 VAL 39 0.130 0.189 4.292 322 HG13 VAL 39 HG13 VAL 39 1.633 -0.335 5.040 323 HG21 VAL 39 HG21 VAL 39 3.843 0.523 2.241 324 HG22 VAL 39 HG22 VAL 39 3.175 -1.086 2.505 325 HG23 VAL 39 HG23 VAL 39 3.768 -0.146 3.872 326 H ALA 40 H ALA 40 -1.231 -0.347 1.926 327 HA ALA 40 HA ALA 40 -2.516 2.240 2.521 328 HB1 ALA 40 HB1 ALA 40 -2.651 1.913 0.106 329 HB2 ALA 40 HB2 ALA 40 -4.243 1.785 0.869 330 HB3 ALA 40 HB3 ALA 40 -3.378 0.332 0.371 331 H ARG 41 H ARG 41 -4.297 2.061 3.782 332 HA ARG 41 HA ARG 41 -5.073 -0.682 4.505 333 HB2 ARG 41 HB2 ARG 41 -4.241 0.980 6.489 334 HB3 ARG 41 HB3 ARG 41 -5.779 1.660 6.216 335 HG2 ARG 41 HG2 ARG 41 -6.996 -0.081 7.017 336 HG3 ARG 41 HG3 ARG 41 -5.758 -1.256 6.568 337 HD2 ARG 41 HD2 ARG 41 -5.928 -1.090 8.981 338 HD3 ARG 41 HD3 ARG 41 -4.364 -0.541 8.416 339 HE ARG 41 HE ARG 41 -6.460 1.404 9.058 340 HH11 ARG 41 HH11 ARG 41 -3.200 0.099 9.651 341 HH12 ARG 41 HH12 ARG 41 -2.871 1.168 10.924 342 HH21 ARG 41 HH21 ARG 41 -5.961 2.858 10.851 343 HH22 ARG 41 HH22 ARG 41 -4.450 2.766 11.613 344 H LEU 42 H LEU 42 -6.995 -1.268 4.166 345 HA LEU 42 HA LEU 42 -8.549 0.425 2.464 346 HB2 LEU 42 HB2 LEU 42 -9.054 -2.394 3.408 347 HB3 LEU 42 HB3 LEU 42 -9.857 -1.596 2.082 348 HG LEU 42 HG LEU 42 -6.929 -2.297 2.182 349 HD11 LEU 42 HD11 LEU 42 -7.443 -3.836 0.391 350 HD12 LEU 42 HD12 LEU 42 -9.160 -3.507 0.597 351 HD13 LEU 42 HD13 LEU 42 -8.235 -4.258 1.906 352 HD21 LEU 42 HD21 LEU 42 -6.869 -1.594 -0.161 353 HD22 LEU 42 HD22 LEU 42 -7.264 -0.259 0.926 354 HD23 LEU 42 HD23 LEU 42 -8.537 -1.032 -0.020 355 H LYS 43 H LYS 43 -10.665 1.018 2.781 356 HA LYS 43 HA LYS 43 -11.436 1.733 5.433 357 HB2 LYS 43 HB2 LYS 43 -12.890 1.907 2.795 358 HB3 LYS 43 HB3 LYS 43 -13.389 2.672 4.296 359 HG2 LYS 43 HG2 LYS 43 -11.526 4.113 4.258 360 HG3 LYS 43 HG3 LYS 43 -10.805 3.279 2.858 361 HD2 LYS 43 HD2 LYS 43 -11.878 5.358 2.207 362 HD3 LYS 43 HD3 LYS 43 -12.777 3.992 1.547 363 HE2 LYS 43 HE2 LYS 43 -14.366 4.153 3.397 364 HE3 LYS 43 HE3 LYS 43 -13.447 5.511 4.036 365 HZ1 LYS 43 HZ1 LYS 43 -15.395 6.215 2.776 366 HZ2 LYS 43 HZ2 LYS 43 -14.827 5.447 1.397 367 HZ3 LYS 43 HZ3 LYS 43 -13.988 6.760 2.044 368 H ASN 44 H ASN 44 -12.948 -0.158 2.849 369 HA ASN 44 HA ASN 44 -14.934 -1.147 4.652 370 HB2 ASN 44 HB2 ASN 44 -14.430 -1.781 1.737 371 HB3 ASN 44 HB3 ASN 44 -15.815 -2.349 2.663 372 HD21 ASN 44 HD21 ASN 44 -17.260 -1.316 1.318 373 HD22 ASN 44 HD22 ASN 44 -17.479 0.392 1.294 374 H ASN 45 H ASN 45 -12.073 -2.379 3.121 375 HA ASN 45 HA ASN 45 -12.617 -5.018 4.234 376 HB2 ASN 45 HB2 ASN 45 -11.678 -4.866 1.925 377 HB3 ASN 45 HB3 ASN 45 -10.214 -4.158 2.592 378 HD21 ASN 45 HD21 ASN 45 -8.947 -5.915 1.700 379 HD22 ASN 45 HD22 ASN 45 -9.021 -7.470 2.406 380 H ASN 46 H ASN 46 -10.701 -2.221 4.949 381 HA ASN 46 HA ASN 46 -9.384 -1.579 6.762 382 HB2 ASN 46 HB2 ASN 46 -11.427 -2.374 8.016 383 HB3 ASN 46 HB3 ASN 46 -10.709 -3.969 8.100 384 HD21 ASN 46 HD21 ASN 46 -10.621 -0.741 9.295 385 HD22 ASN 46 HD22 ASN 46 -9.561 -1.018 10.634 386 H ARG 47 H ARG 47 -8.657 -4.239 5.104 387 HA ARG 47 HA ARG 47 -6.401 -4.935 6.734 388 HB2 ARG 47 HB2 ARG 47 -7.047 -5.572 3.899 389 HB3 ARG 47 HB3 ARG 47 -5.576 -6.089 4.693 390 HG2 ARG 47 HG2 ARG 47 -7.002 -7.298 6.334 391 HG3 ARG 47 HG3 ARG 47 -8.394 -6.894 5.306 392 HD2 ARG 47 HD2 ARG 47 -7.598 -9.046 4.539 393 HD3 ARG 47 HD3 ARG 47 -7.166 -7.722 3.442 394 HE ARG 47 HE ARG 47 -5.035 -8.087 5.185 395 HH11 ARG 47 HH11 ARG 47 -6.544 -9.683 2.430 396 HH12 ARG 47 HH12 ARG 47 -5.104 -10.352 1.828 397 HH21 ARG 47 HH21 ARG 47 -3.043 -8.980 4.379 398 HH22 ARG 47 HH22 ARG 47 -3.035 -9.951 2.984 399 H GLN 48 H GLN 48 -4.298 -4.548 6.210 400 HA GLN 48 HA GLN 48 -3.977 -2.254 4.532 401 HB2 GLN 48 HB2 GLN 48 -3.504 -1.656 6.791 402 HB3 GLN 48 HB3 GLN 48 -2.513 -3.092 7.036 403 HG2 GLN 48 HG2 GLN 48 -0.835 -2.226 5.774 404 HG3 GLN 48 HG3 GLN 48 -1.959 -1.064 5.032 405 HE21 GLN 48 HE21 GLN 48 0.639 -0.700 6.588 406 HE22 GLN 48 HE22 GLN 48 0.242 0.413 7.841 407 H VAL 49 H VAL 49 -3.036 -2.592 2.812 408 HA VAL 49 HA VAL 49 -1.420 -5.001 2.452 409 HB VAL 49 HB VAL 49 -2.396 -5.175 0.169 410 HG11 VAL 49 HG11 VAL 49 -4.556 -6.139 0.866 411 HG12 VAL 49 HG12 VAL 49 -4.411 -5.321 2.423 412 HG13 VAL 49 HG13 VAL 49 -3.264 -6.584 1.982 413 HG21 VAL 49 HG21 VAL 49 -3.147 -2.872 -0.107 414 HG22 VAL 49 HG22 VAL 49 -4.349 -3.091 1.164 415 HG23 VAL 49 HG23 VAL 49 -4.488 -3.992 -0.350 416 H CYS 50 H CYS 50 -0.544 -4.691 0.010 417 HA CYS 50 HA CYS 50 0.771 -2.096 0.115 418 HB2 CYS 50 HB2 CYS 50 1.901 -4.598 -1.133 419 HB3 CYS 50 HB3 CYS 50 2.704 -3.102 -0.740 420 H ILE 51 H ILE 51 1.136 -1.090 -1.827 421 HA ILE 51 HA ILE 51 -0.632 -1.954 -3.994 422 HB ILE 51 HB ILE 51 0.001 0.863 -3.080 423 HG12 ILE 51 HG12 ILE 51 -2.491 -0.809 -2.945 424 HG13 ILE 51 HG13 ILE 51 -1.555 -0.174 -1.616 425 HG21 ILE 51 HG21 ILE 51 -0.171 0.805 -5.483 426 HG22 ILE 51 HG22 ILE 51 -1.590 1.600 -4.780 427 HG23 ILE 51 HG23 ILE 51 -1.697 -0.067 -5.358 428 HD11 ILE 51 HD11 ILE 51 -2.149 2.117 -2.218 429 HD12 ILE 51 HD12 ILE 51 -3.586 1.137 -1.917 430 HD13 ILE 51 HD13 ILE 51 -3.104 1.511 -3.573 431 H ASP 52 H ASP 52 0.111 -1.797 -6.046 432 HA ASP 52 HA ASP 52 2.942 -1.731 -6.412 433 HB2 ASP 52 HB2 ASP 52 1.609 -3.297 -7.542 434 HB3 ASP 52 HB3 ASP 52 0.641 -2.059 -8.342 435 HA PRO 53 HA PRO 53 3.079 2.617 -7.149 436 HB2 PRO 53 HB2 PRO 53 5.621 2.764 -8.090 437 HB3 PRO 53 HB3 PRO 53 5.235 2.516 -6.384 438 HG2 PRO 53 HG2 PRO 53 6.012 0.487 -8.452 439 HG3 PRO 53 HG3 PRO 53 6.558 0.631 -6.774 440 HD2 PRO 53 HD2 PRO 53 4.678 -1.128 -7.540 441 HD3 PRO 53 HD3 PRO 53 4.670 -0.362 -5.939 442 H LYS 54 H LYS 54 2.753 0.398 -9.628 443 HA LYS 54 HA LYS 54 3.069 2.508 -11.629 444 HB2 LYS 54 HB2 LYS 54 2.963 -0.456 -11.979 445 HB3 LYS 54 HB3 LYS 54 2.901 0.735 -13.275 446 HG2 LYS 54 HG2 LYS 54 5.135 1.528 -12.589 447 HG3 LYS 54 HG3 LYS 54 5.182 0.245 -11.372 448 HD2 LYS 54 HD2 LYS 54 6.357 -0.382 -13.458 449 HD3 LYS 54 HD3 LYS 54 4.994 -1.451 -13.095 450 HE2 LYS 54 HE2 LYS 54 3.596 -0.244 -14.653 451 HE3 LYS 54 HE3 LYS 54 4.901 0.889 -15.010 452 HZ1 LYS 54 HZ1 LYS 54 6.130 -0.983 -15.945 453 HZ2 LYS 54 HZ2 LYS 54 4.625 -0.780 -16.690 454 HZ3 LYS 54 HZ3 LYS 54 4.844 -2.020 -15.576 455 H LEU 55 H LEU 55 0.645 1.364 -9.769 456 HA LEU 55 HA LEU 55 -1.407 0.862 -11.572 457 HB2 LEU 55 HB2 LEU 55 -1.347 2.112 -8.882 458 HB3 LEU 55 HB3 LEU 55 -2.854 1.885 -9.711 459 HG LEU 55 HG LEU 55 -0.942 -0.228 -8.703 460 HD11 LEU 55 HD11 LEU 55 -3.783 0.443 -7.983 461 HD12 LEU 55 HD12 LEU 55 -2.360 0.843 -7.027 462 HD13 LEU 55 HD13 LEU 55 -2.804 -0.847 -7.279 463 HD21 LEU 55 HD21 LEU 55 -2.711 -1.802 -9.396 464 HD22 LEU 55 HD22 LEU 55 -1.856 -1.064 -10.775 465 HD23 LEU 55 HD23 LEU 55 -3.472 -0.520 -10.283 466 H LYS 56 H LYS 56 -2.989 2.198 -12.473 467 HA LYS 56 HA LYS 56 -1.787 4.512 -13.606 468 HB2 LYS 56 HB2 LYS 56 -3.481 2.858 -14.700 469 HB3 LYS 56 HB3 LYS 56 -4.713 3.812 -13.899 470 HG2 LYS 56 HG2 LYS 56 -2.722 4.879 -15.916 471 HG3 LYS 56 HG3 LYS 56 -4.376 4.425 -16.279 472 HD2 LYS 56 HD2 LYS 56 -5.201 6.213 -14.851 473 HD3 LYS 56 HD3 LYS 56 -3.554 6.609 -14.357 474 HE2 LYS 56 HE2 LYS 56 -2.994 7.203 -16.653 475 HE3 LYS 56 HE3 LYS 56 -4.614 6.765 -17.182 476 HZ1 LYS 56 HZ1 LYS 56 -5.509 8.567 -15.852 477 HZ2 LYS 56 HZ2 LYS 56 -4.332 9.150 -16.890 478 HZ3 LYS 56 HZ3 LYS 56 -3.980 8.967 -15.261 479 H TRP 57 H TRP 57 -4.458 4.017 -11.293 480 HA TRP 57 HA TRP 57 -4.853 6.828 -11.049 481 HB2 TRP 57 HB2 TRP 57 -6.359 6.381 -9.196 482 HB3 TRP 57 HB3 TRP 57 -6.675 5.229 -10.476 483 HD1 TRP 57 HD1 TRP 57 -6.146 2.601 -9.880 484 HE1 TRP 57 HE1 TRP 57 -5.882 1.432 -7.653 485 HE3 TRP 57 HE3 TRP 57 -5.389 6.699 -6.931 486 HZ2 TRP 57 HZ2 TRP 57 -5.395 2.133 -4.950 487 HZ3 TRP 57 HZ3 TRP 57 -5.035 6.365 -4.529 488 HH2 TRP 57 HH2 TRP 57 -5.039 4.181 -3.557 489 H ILE 58 H ILE 58 -2.685 4.624 -9.699 490 HA ILE 58 HA ILE 58 -1.804 6.242 -7.541 491 HB ILE 58 HB ILE 58 -0.599 3.893 -8.982 492 HG12 ILE 58 HG12 ILE 58 -2.391 3.385 -7.431 493 HG13 ILE 58 HG13 ILE 58 -0.872 2.741 -6.831 494 HG21 ILE 58 HG21 ILE 58 1.226 3.791 -7.410 495 HG22 ILE 58 HG22 ILE 58 0.765 5.373 -6.760 496 HG23 ILE 58 HG23 ILE 58 1.306 5.221 -8.438 497 HD11 ILE 58 HD11 ILE 58 -0.690 4.630 -5.284 498 HD12 ILE 58 HD12 ILE 58 -2.159 3.696 -5.032 499 HD13 ILE 58 HD13 ILE 58 -2.242 5.250 -5.852 500 H GLN 59 H GLN 59 -0.953 5.965 -10.940 501 HA GLN 59 HA GLN 59 1.274 7.684 -10.823 502 HB2 GLN 59 HB2 GLN 59 -0.642 7.356 -13.150 503 HB3 GLN 59 HB3 GLN 59 0.965 8.048 -13.244 504 HG2 GLN 59 HG2 GLN 59 0.215 5.182 -12.718 505 HG3 GLN 59 HG3 GLN 59 1.038 5.841 -14.125 506 HE21 GLN 59 HE21 GLN 59 1.315 4.836 -10.885 507 HE22 GLN 59 HE22 GLN 59 3.035 4.818 -10.756 508 H GLU 60 H GLU 60 -2.153 8.241 -11.213 509 HA GLU 60 HA GLU 60 -2.254 11.032 -11.526 510 HB2 GLU 60 HB2 GLU 60 -4.130 9.292 -9.901 511 HB3 GLU 60 HB3 GLU 60 -4.496 10.879 -10.542 512 HG2 GLU 60 HG2 GLU 60 -3.955 8.413 -12.186 513 HG3 GLU 60 HG3 GLU 60 -5.552 9.048 -11.795 514 H TYR 61 H TYR 61 -2.307 8.996 -8.629 515 HA TYR 61 HA TYR 61 -2.411 11.001 -6.694 516 HB2 TYR 61 HB2 TYR 61 -2.928 8.619 -6.237 517 HB3 TYR 61 HB3 TYR 61 -1.228 8.223 -6.429 518 HD1 TYR 61 HD1 TYR 61 -3.636 10.086 -4.322 519 HD2 TYR 61 HD2 TYR 61 0.291 8.464 -4.593 520 HE1 TYR 61 HE1 TYR 61 -3.289 10.529 -1.930 521 HE2 TYR 61 HE2 TYR 61 0.644 8.913 -2.204 522 HH TYR 61 HH TYR 61 -1.892 9.767 -0.081 523 H LEU 62 H LEU 62 0.393 9.321 -8.083 524 HA LEU 62 HA LEU 62 2.288 10.706 -6.546 525 HB2 LEU 62 HB2 LEU 62 2.504 9.048 -9.001 526 HB3 LEU 62 HB3 LEU 62 3.867 10.043 -8.537 527 HG LEU 62 HG LEU 62 4.026 8.879 -6.386 528 HD11 LEU 62 HD11 LEU 62 1.721 7.251 -7.347 529 HD12 LEU 62 HD12 LEU 62 1.725 8.393 -6.014 530 HD13 LEU 62 HD13 LEU 62 2.691 6.918 -5.896 531 HD21 LEU 62 HD21 LEU 62 5.234 8.034 -8.276 532 HD22 LEU 62 HD22 LEU 62 3.870 7.009 -8.725 533 HD23 LEU 62 HD23 LEU 62 4.734 6.719 -7.202 534 H GLU 63 H GLU 63 0.980 11.459 -9.739 535 HA GLU 63 HA GLU 63 2.672 13.644 -10.215 536 HB2 GLU 63 HB2 GLU 63 -0.200 13.279 -11.078 537 HB3 GLU 63 HB3 GLU 63 0.831 14.579 -11.647 538 HG2 GLU 63 HG2 GLU 63 2.374 12.884 -12.574 539 HG3 GLU 63 HG3 GLU 63 1.228 11.634 -12.085 540 H LYS 64 H LYS 64 -0.485 13.556 -8.582 541 HA LYS 64 HA LYS 64 -0.262 16.319 -7.964 542 HB2 LYS 64 HB2 LYS 64 -2.224 16.151 -6.663 543 HB3 LYS 64 HB3 LYS 64 -2.448 15.194 -8.120 544 HG2 LYS 64 HG2 LYS 64 -2.009 13.182 -6.801 545 HG3 LYS 64 HG3 LYS 64 -1.850 14.208 -5.365 546 HD2 LYS 64 HD2 LYS 64 -4.090 15.103 -5.829 547 HD3 LYS 64 HD3 LYS 64 -4.252 13.904 -7.114 548 HE2 LYS 64 HE2 LYS 64 -5.319 13.020 -5.182 549 HE3 LYS 64 HE3 LYS 64 -3.790 12.164 -5.444 550 HZ1 LYS 64 HZ1 LYS 64 -4.147 14.388 -3.517 551 HZ2 LYS 64 HZ2 LYS 64 -2.763 13.481 -3.697 552 HZ3 LYS 64 HZ3 LYS 64 -4.157 12.782 -3.065 553 H ALA 65 H ALA 65 0.988 13.479 -6.517 554 HA ALA 65 HA ALA 65 1.405 14.503 -3.906 555 HB1 ALA 65 HB1 ALA 65 2.997 12.673 -3.613 556 HB2 ALA 65 HB2 ALA 65 2.991 12.379 -5.350 557 HB3 ALA 65 HB3 ALA 65 1.533 12.082 -4.402 558 H LEU 66 H LEU 66 3.438 14.370 -6.798 559 HA LEU 66 HA LEU 66 5.535 15.816 -5.579 560 HB2 LEU 66 HB2 LEU 66 4.898 15.286 -8.469 561 HB3 LEU 66 HB3 LEU 66 6.173 16.398 -8.025 562 HG LEU 66 HG LEU 66 7.134 14.272 -8.593 563 HD11 LEU 66 HD11 LEU 66 8.409 13.784 -6.603 564 HD12 LEU 66 HD12 LEU 66 7.275 14.709 -5.627 565 HD13 LEU 66 HD13 LEU 66 8.238 15.518 -6.868 566 HD21 LEU 66 HD21 LEU 66 5.430 13.071 -6.413 567 HD22 LEU 66 HD22 LEU 66 6.706 12.235 -7.304 568 HD23 LEU 66 HD23 LEU 66 5.258 12.787 -8.147 569 H ASN 67 H ASN 67 2.674 16.811 -7.327 570 HA ASN 67 HA ASN 67 3.285 19.566 -7.352 571 HB2 ASN 67 HB2 ASN 67 1.359 18.592 -8.584 572 HB3 ASN 67 HB3 ASN 67 0.562 18.261 -7.049 573 HD21 ASN 67 HD21 ASN 67 -1.187 19.561 -7.536 574 HD22 ASN 67 HD22 ASN 67 -1.073 21.281 -7.553 575 H LYS 68 H LYS 68 1.131 17.827 -5.044 576 HA LYS 68 HA LYS 68 2.377 18.584 -2.729 577 HB2 LYS 68 HB2 LYS 68 1.564 20.856 -3.198 578 HB3 LYS 68 HB3 LYS 68 -0.077 20.240 -3.392 579 HG2 LYS 68 HG2 LYS 68 -0.084 19.514 -1.066 580 HG3 LYS 68 HG3 LYS 68 1.561 20.117 -0.878 581 HD2 LYS 68 HD2 LYS 68 0.803 22.350 -1.375 582 HD3 LYS 68 HD3 LYS 68 -0.839 21.734 -1.609 583 HE2 LYS 68 HE2 LYS 68 -0.592 22.719 0.641 584 HE3 LYS 68 HE3 LYS 68 -0.926 20.998 0.713 585 HZ1 LYS 68 HZ1 LYS 68 0.805 21.644 2.269 586 HZ2 LYS 68 HZ2 LYS 68 1.759 22.245 1.035 587 HZ3 LYS 68 HZ3 LYS 68 1.447 20.589 1.132 Start of MODEL 4 1 H LYS 1 H LYS 1 13.172 -23.044 11.471 2 HA LYS 1 HA LYS 1 11.924 -21.610 10.238 3 HB2 LYS 1 HB2 LYS 1 12.802 -20.431 8.196 4 HB3 LYS 1 HB3 LYS 1 13.666 -19.926 9.629 5 HG2 LYS 1 HG2 LYS 1 14.720 -21.990 7.809 6 HG3 LYS 1 HG3 LYS 1 14.932 -20.258 7.524 7 HD2 LYS 1 HD2 LYS 1 15.972 -20.061 9.725 8 HD3 LYS 1 HD3 LYS 1 15.810 -21.798 9.968 9 HE2 LYS 1 HE2 LYS 1 17.136 -20.452 7.748 10 HE3 LYS 1 HE3 LYS 1 18.032 -21.087 9.153 11 HZ1 LYS 1 HZ1 LYS 1 17.127 -23.342 8.486 12 HZ2 LYS 1 HZ2 LYS 1 18.139 -22.690 7.322 13 HZ3 LYS 1 HZ3 LYS 1 16.488 -22.635 7.097 14 HA PRO 2 HA PRO 2 11.164 -25.437 8.072 15 HB2 PRO 2 HB2 PRO 2 9.026 -23.903 6.708 16 HB3 PRO 2 HB3 PRO 2 8.897 -25.374 7.674 17 HG2 PRO 2 HG2 PRO 2 8.047 -23.006 8.596 18 HG3 PRO 2 HG3 PRO 2 8.766 -24.222 9.661 19 HD2 PRO 2 HD2 PRO 2 9.971 -21.706 8.588 20 HD3 PRO 2 HD3 PRO 2 10.168 -22.499 10.165 21 H VAL 3 H VAL 3 10.354 -22.630 6.067 22 HA VAL 3 HA VAL 3 12.428 -23.469 4.210 23 HB VAL 3 HB VAL 3 10.317 -24.151 3.159 24 HG11 VAL 3 HG11 VAL 3 8.540 -22.594 2.557 25 HG12 VAL 3 HG12 VAL 3 9.374 -21.303 3.423 26 HG13 VAL 3 HG13 VAL 3 8.756 -22.700 4.303 27 HG21 VAL 3 HG21 VAL 3 12.017 -23.330 1.642 28 HG22 VAL 3 HG22 VAL 3 11.428 -21.680 1.841 29 HG23 VAL 3 HG23 VAL 3 10.417 -22.885 1.047 30 H SER 4 H SER 4 10.312 -20.868 4.922 31 HA SER 4 HA SER 4 10.489 -18.632 4.939 32 HB2 SER 4 HB2 SER 4 13.051 -19.309 6.354 33 HB3 SER 4 HB3 SER 4 12.216 -17.756 6.429 34 HG SER 4 HG SER 4 10.413 -19.574 6.929 35 H LEU 5 H LEU 5 10.555 -17.869 2.936 36 HA LEU 5 HA LEU 5 13.020 -17.667 1.497 37 HB2 LEU 5 HB2 LEU 5 10.673 -17.789 0.477 38 HB3 LEU 5 HB3 LEU 5 10.419 -16.152 1.027 39 HG LEU 5 HG LEU 5 12.468 -17.003 -1.050 40 HD11 LEU 5 HD11 LEU 5 9.801 -15.651 -1.382 41 HD12 LEU 5 HD12 LEU 5 10.221 -17.294 -1.873 42 HD13 LEU 5 HD13 LEU 5 10.990 -15.916 -2.659 43 HD21 LEU 5 HD21 LEU 5 12.674 -14.607 -1.549 44 HD22 LEU 5 HD22 LEU 5 13.139 -14.948 0.119 45 HD23 LEU 5 HD23 LEU 5 11.566 -14.236 -0.225 46 H SER 6 H SER 6 14.456 -16.030 1.698 47 HA SER 6 HA SER 6 14.209 -14.322 3.944 48 HB2 SER 6 HB2 SER 6 16.300 -14.383 1.777 49 HB3 SER 6 HB3 SER 6 16.458 -13.640 3.371 50 HG SER 6 HG SER 6 16.211 -15.672 4.297 51 H TYR 7 H TYR 7 12.807 -12.678 3.804 52 HA TYR 7 HA TYR 7 12.687 -11.126 1.352 53 HB2 TYR 7 HB2 TYR 7 10.976 -10.927 3.838 54 HB3 TYR 7 HB3 TYR 7 10.726 -10.026 2.348 55 HD1 TYR 7 HD1 TYR 7 10.638 -11.679 0.196 56 HD2 TYR 7 HD2 TYR 7 9.593 -12.712 4.182 57 HE1 TYR 7 HE1 TYR 7 9.209 -13.483 -0.651 58 HE2 TYR 7 HE2 TYR 7 8.163 -14.525 3.345 59 HH TYR 7 HH TYR 7 6.963 -15.084 1.301 60 H ARG 8 H ARG 8 14.037 -9.504 1.188 61 HA ARG 8 HA ARG 8 15.055 -8.190 3.586 62 HB2 ARG 8 HB2 ARG 8 16.649 -7.116 2.136 63 HB3 ARG 8 HB3 ARG 8 16.652 -8.863 1.876 64 HG2 ARG 8 HG2 ARG 8 15.386 -8.555 -0.186 65 HG3 ARG 8 HG3 ARG 8 15.332 -6.811 0.098 66 HD2 ARG 8 HD2 ARG 8 17.785 -6.743 0.011 67 HD3 ARG 8 HD3 ARG 8 17.812 -8.473 -0.317 68 HE ARG 8 HE ARG 8 16.192 -7.176 -2.197 69 HH11 ARG 8 HH11 ARG 8 19.607 -7.530 -1.339 70 HH12 ARG 8 HH12 ARG 8 20.190 -7.253 -2.913 71 HH21 ARG 8 HH21 ARG 8 16.985 -6.812 -4.380 72 HH22 ARG 8 HH22 ARG 8 18.649 -6.836 -4.699 73 H CYS 9 H CYS 9 12.550 -7.949 1.704 74 HA CYS 9 HA CYS 9 12.405 -5.017 1.741 75 HB2 CYS 9 HB2 CYS 9 10.681 -6.918 0.101 76 HB3 CYS 9 HB3 CYS 9 10.726 -5.178 0.015 77 HA PRO 10 HA PRO 10 9.380 -5.189 5.012 78 HB2 PRO 10 HB2 PRO 10 8.134 -2.914 3.530 79 HB3 PRO 10 HB3 PRO 10 8.631 -3.010 5.222 80 HG2 PRO 10 HG2 PRO 10 10.088 -1.644 3.510 81 HG3 PRO 10 HG3 PRO 10 10.875 -2.687 4.710 82 HD2 PRO 10 HD2 PRO 10 10.392 -3.177 1.799 83 HD3 PRO 10 HD3 PRO 10 11.836 -3.501 2.789 84 H CYS 11 H CYS 11 8.253 -4.936 1.647 85 HA CYS 11 HA CYS 11 5.975 -6.593 2.427 86 HB2 CYS 11 HB2 CYS 11 5.256 -4.197 2.247 87 HB3 CYS 11 HB3 CYS 11 5.797 -4.224 0.575 88 H ARG 12 H ARG 12 5.278 -7.995 0.867 89 HA ARG 12 HA ARG 12 7.064 -8.377 -1.446 90 HB2 ARG 12 HB2 ARG 12 7.122 -10.179 0.209 91 HB3 ARG 12 HB3 ARG 12 5.381 -10.351 0.082 92 HG2 ARG 12 HG2 ARG 12 5.694 -10.945 -2.321 93 HG3 ARG 12 HG3 ARG 12 7.432 -10.959 -2.025 94 HD2 ARG 12 HD2 ARG 12 7.148 -12.651 -0.316 95 HD3 ARG 12 HD3 ARG 12 5.409 -12.638 -0.557 96 HE ARG 12 HE ARG 12 7.215 -13.366 -2.752 97 HH11 ARG 12 HH11 ARG 12 4.510 -14.192 -0.612 98 HH12 ARG 12 HH12 ARG 12 4.214 -15.706 -1.324 99 HH21 ARG 12 HH21 ARG 12 6.804 -15.443 -3.724 100 HH22 ARG 12 HH22 ARG 12 5.547 -16.442 -3.156 101 H PHE 13 H PHE 13 3.698 -8.451 -0.345 102 HA PHE 13 HA PHE 13 2.811 -8.931 -3.075 103 HB2 PHE 13 HB2 PHE 13 0.590 -9.411 -2.057 104 HB3 PHE 13 HB3 PHE 13 1.854 -10.456 -1.450 105 HD1 PHE 13 HD1 PHE 13 2.582 -10.285 0.878 106 HD2 PHE 13 HD2 PHE 13 -0.510 -7.789 -0.629 107 HE1 PHE 13 HE1 PHE 13 1.932 -9.704 3.182 108 HE2 PHE 13 HE2 PHE 13 -1.169 -7.206 1.669 109 HZ PHE 13 HZ PHE 13 0.055 -8.163 3.576 110 H PHE 14 H PHE 14 2.007 -7.363 -4.292 111 HA PHE 14 HA PHE 14 0.907 -4.955 -2.960 112 HB2 PHE 14 HB2 PHE 14 2.151 -4.938 -5.676 113 HB3 PHE 14 HB3 PHE 14 1.839 -3.585 -4.612 114 HD1 PHE 14 HD1 PHE 14 3.329 -4.197 -2.178 115 HD2 PHE 14 HD2 PHE 14 4.282 -5.059 -6.228 116 HE1 PHE 14 HE1 PHE 14 5.685 -4.265 -1.604 117 HE2 PHE 14 HE2 PHE 14 6.624 -5.127 -5.686 118 HZ PHE 14 HZ PHE 14 7.377 -4.726 -3.344 119 H GLU 15 H GLU 15 -1.126 -4.543 -3.646 120 HA GLU 15 HA GLU 15 -2.227 -6.274 -5.619 121 HB2 GLU 15 HB2 GLU 15 -3.338 -4.235 -3.795 122 HB3 GLU 15 HB3 GLU 15 -4.236 -4.559 -5.268 123 HG2 GLU 15 HG2 GLU 15 -5.065 -5.850 -3.413 124 HG3 GLU 15 HG3 GLU 15 -4.425 -6.875 -4.682 125 H SER 16 H SER 16 -2.627 -5.935 -7.647 126 HA SER 16 HA SER 16 -1.835 -3.378 -8.799 127 HB2 SER 16 HB2 SER 16 -1.703 -4.745 -10.929 128 HB3 SER 16 HB3 SER 16 -0.547 -5.188 -9.676 129 HG SER 16 HG SER 16 -2.906 -6.485 -10.473 130 H HIS 17 H HIS 17 -4.372 -4.264 -7.531 131 HA HIS 17 HA HIS 17 -6.076 -2.798 -9.295 132 HB2 HIS 17 HB2 HIS 17 -6.468 -5.141 -10.074 133 HB3 HIS 17 HB3 HIS 17 -6.893 -5.593 -8.424 134 HD1 HIS 17 HD1 HIS 17 -9.225 -4.866 -7.553 135 HD2 HIS 17 HD2 HIS 17 -8.416 -3.622 -11.435 136 HE1 HIS 17 HE1 HIS 17 -11.395 -4.044 -8.456 137 HE2 HIS 17 HE2 HIS 17 -10.919 -3.773 -10.894 138 H VAL 18 H VAL 18 -6.581 -1.296 -7.863 139 HA VAL 18 HA VAL 18 -7.636 -2.144 -5.279 140 HB VAL 18 HB VAL 18 -5.629 0.108 -5.588 141 HG11 VAL 18 HG11 VAL 18 -6.910 -1.044 -3.089 142 HG12 VAL 18 HG12 VAL 18 -7.240 0.530 -3.799 143 HG13 VAL 18 HG13 VAL 18 -5.652 0.192 -3.106 144 HG21 VAL 18 HG21 VAL 18 -4.074 -1.259 -4.264 145 HG22 VAL 18 HG22 VAL 18 -4.493 -2.037 -5.788 146 HG23 VAL 18 HG23 VAL 18 -5.233 -2.588 -4.282 147 H ALA 19 H ALA 19 -9.295 -0.688 -4.510 148 HA ALA 19 HA ALA 19 -10.081 1.259 -6.509 149 HB1 ALA 19 HB1 ALA 19 -11.573 0.043 -4.174 150 HB2 ALA 19 HB2 ALA 19 -11.776 -0.388 -5.870 151 HB3 ALA 19 HB3 ALA 19 -12.243 1.219 -5.304 152 H ARG 20 H ARG 20 -9.551 3.296 -6.077 153 HA ARG 20 HA ARG 20 -8.248 4.065 -3.717 154 HB2 ARG 20 HB2 ARG 20 -7.925 5.257 -5.838 155 HB3 ARG 20 HB3 ARG 20 -9.578 5.860 -5.752 156 HG2 ARG 20 HG2 ARG 20 -9.070 7.140 -3.781 157 HG3 ARG 20 HG3 ARG 20 -7.457 6.440 -3.696 158 HD2 ARG 20 HD2 ARG 20 -6.915 7.454 -5.828 159 HD3 ARG 20 HD3 ARG 20 -8.518 8.204 -5.904 160 HE ARG 20 HE ARG 20 -7.564 9.047 -3.535 161 HH11 ARG 20 HH11 ARG 20 -6.205 9.163 -6.816 162 HH12 ARG 20 HH12 ARG 20 -5.284 10.549 -6.516 163 HH21 ARG 20 HH21 ARG 20 -6.291 10.926 -3.132 164 HH22 ARG 20 HH22 ARG 20 -5.336 11.600 -4.373 165 H ALA 21 H ALA 21 -11.598 4.059 -4.577 166 HA ALA 21 HA ALA 21 -12.519 5.733 -2.493 167 HB1 ALA 21 HB1 ALA 21 -13.954 3.474 -3.895 168 HB2 ALA 21 HB2 ALA 21 -13.912 5.158 -4.423 169 HB3 ALA 21 HB3 ALA 21 -14.709 4.725 -2.913 170 H ASN 22 H ASN 22 -11.205 2.516 -2.487 171 HA ASN 22 HA ASN 22 -12.453 1.930 0.090 172 HB2 ASN 22 HB2 ASN 22 -12.546 0.254 -1.754 173 HB3 ASN 22 HB3 ASN 22 -10.791 0.178 -1.705 174 HD21 ASN 22 HD21 ASN 22 -10.636 -1.821 -1.096 175 HD22 ASN 22 HD22 ASN 22 -11.127 -2.522 0.385 176 H VAL 23 H VAL 23 -9.879 3.720 -0.800 177 HA VAL 23 HA VAL 23 -8.110 2.387 1.097 178 HB VAL 23 HB VAL 23 -7.462 4.597 -0.851 179 HG11 VAL 23 HG11 VAL 23 -5.121 4.157 -0.219 180 HG12 VAL 23 HG12 VAL 23 -5.702 3.092 1.074 181 HG13 VAL 23 HG13 VAL 23 -6.086 4.807 1.100 182 HG21 VAL 23 HG21 VAL 23 -6.150 2.875 -1.998 183 HG22 VAL 23 HG22 VAL 23 -7.865 2.459 -1.938 184 HG23 VAL 23 HG23 VAL 23 -6.726 1.676 -0.844 185 H LYS 24 H LYS 24 -8.191 2.946 3.066 186 HA LYS 24 HA LYS 24 -9.280 5.249 4.273 187 HB2 LYS 24 HB2 LYS 24 -7.265 3.223 5.205 188 HB3 LYS 24 HB3 LYS 24 -7.798 4.560 6.197 189 HG2 LYS 24 HG2 LYS 24 -9.727 2.589 5.060 190 HG3 LYS 24 HG3 LYS 24 -8.842 2.252 6.549 191 HD2 LYS 24 HD2 LYS 24 -9.707 4.381 7.484 192 HD3 LYS 24 HD3 LYS 24 -10.705 4.584 6.041 193 HE2 LYS 24 HE2 LYS 24 -11.942 2.573 6.551 194 HE3 LYS 24 HE3 LYS 24 -10.837 2.192 7.882 195 HZ1 LYS 24 HZ1 LYS 24 -12.705 4.495 7.734 196 HZ2 LYS 24 HZ2 LYS 24 -11.678 4.140 9.023 197 HZ3 LYS 24 HZ3 LYS 24 -12.918 3.077 8.625 198 H HIS 25 H HIS 25 -5.896 4.227 3.880 199 HA HIS 25 HA HIS 25 -5.075 7.024 3.940 200 HB2 HIS 25 HB2 HIS 25 -3.524 6.732 5.762 201 HB3 HIS 25 HB3 HIS 25 -5.008 5.971 6.307 202 HD1 HIS 25 HD1 HIS 25 -1.704 5.724 6.835 203 HD2 HIS 25 HD2 HIS 25 -4.352 2.921 5.364 204 HE1 HIS 25 HE1 HIS 25 -0.671 3.490 7.277 205 HE2 HIS 25 HE2 HIS 25 -2.439 1.900 6.784 206 H LEU 26 H LEU 26 -3.413 7.412 2.556 207 HA LEU 26 HA LEU 26 -2.064 5.101 1.386 208 HB2 LEU 26 HB2 LEU 26 -2.054 8.018 0.588 209 HB3 LEU 26 HB3 LEU 26 -0.964 6.853 -0.105 210 HG LEU 26 HG LEU 26 -2.699 7.274 -1.649 211 HD11 LEU 26 HD11 LEU 26 -3.670 5.067 -1.997 212 HD12 LEU 26 HD12 LEU 26 -3.110 4.587 -0.396 213 HD13 LEU 26 HD13 LEU 26 -1.945 5.030 -1.643 214 HD21 LEU 26 HD21 LEU 26 -4.412 8.152 -0.188 215 HD22 LEU 26 HD22 LEU 26 -4.675 6.555 0.511 216 HD23 LEU 26 HD23 LEU 26 -5.076 6.857 -1.182 217 H LYS 27 H LYS 27 -0.088 4.567 1.957 218 HA LYS 27 HA LYS 27 1.613 6.560 3.211 219 HB2 LYS 27 HB2 LYS 27 0.534 5.266 5.007 220 HB3 LYS 27 HB3 LYS 27 0.983 3.777 4.220 221 HG2 LYS 27 HG2 LYS 27 3.315 4.201 4.642 222 HG3 LYS 27 HG3 LYS 27 2.932 5.784 5.321 223 HD2 LYS 27 HD2 LYS 27 3.337 4.119 7.086 224 HD3 LYS 27 HD3 LYS 27 1.688 4.739 7.117 225 HE2 LYS 27 HE2 LYS 27 0.831 2.736 6.104 226 HE3 LYS 27 HE3 LYS 27 2.461 2.116 5.813 227 HZ1 LYS 27 HZ1 LYS 27 2.783 2.053 8.202 228 HZ2 LYS 27 HZ2 LYS 27 1.554 1.048 7.738 229 HZ3 LYS 27 HZ3 LYS 27 1.196 2.541 8.494 230 H ILE 28 H ILE 28 3.523 6.488 2.109 231 HA ILE 28 HA ILE 28 4.005 4.011 0.623 232 HB ILE 28 HB ILE 28 4.693 6.823 -0.324 233 HG12 ILE 28 HG12 ILE 28 2.625 4.823 -1.248 234 HG13 ILE 28 HG13 ILE 28 2.294 6.348 -0.441 235 HG21 ILE 28 HG21 ILE 28 6.327 5.115 -1.059 236 HG22 ILE 28 HG22 ILE 28 5.354 5.730 -2.402 237 HG23 ILE 28 HG23 ILE 28 4.985 4.157 -1.700 238 HD11 ILE 28 HD11 ILE 28 3.459 5.974 -3.196 239 HD12 ILE 28 HD12 ILE 28 3.199 7.541 -2.418 240 HD13 ILE 28 HD13 ILE 28 1.831 6.488 -2.814 241 H LEU 29 H LEU 29 5.919 3.056 0.727 242 HA LEU 29 HA LEU 29 7.915 4.299 2.462 243 HB2 LEU 29 HB2 LEU 29 6.800 2.385 3.495 244 HB3 LEU 29 HB3 LEU 29 7.192 1.400 2.102 245 HG LEU 29 HG LEU 29 9.552 1.464 2.655 246 HD11 LEU 29 HD11 LEU 29 10.340 2.516 4.726 247 HD12 LEU 29 HD12 LEU 29 8.722 3.169 5.013 248 HD13 LEU 29 HD13 LEU 29 9.659 3.705 3.618 249 HD21 LEU 29 HD21 LEU 29 9.472 0.214 4.752 250 HD22 LEU 29 HD22 LEU 29 8.173 -0.265 3.660 251 HD23 LEU 29 HD23 LEU 29 7.830 0.790 5.033 252 H ASN 30 H ASN 30 9.612 4.869 1.415 253 HA ASN 30 HA ASN 30 10.314 3.759 -1.188 254 HB2 ASN 30 HB2 ASN 30 11.722 5.888 0.456 255 HB3 ASN 30 HB3 ASN 30 11.991 5.545 -1.245 256 HD21 ASN 30 HD21 ASN 30 9.924 7.015 1.097 257 HD22 ASN 30 HD22 ASN 30 8.949 7.916 0.001 258 H THR 31 H THR 31 11.605 1.874 -1.156 259 HA THR 31 HA THR 31 13.124 1.532 1.295 260 HB THR 31 HB THR 31 12.292 -0.551 -0.727 261 HG1 THR 31 HG1 THR 31 10.707 0.803 0.687 262 HG21 THR 31 HG21 THR 31 12.698 -2.090 1.177 263 HG22 THR 31 HG22 THR 31 13.226 -0.714 2.142 264 HG23 THR 31 HG23 THR 31 14.155 -1.188 0.725 265 HA PRO 32 HA PRO 32 16.835 2.299 -1.110 266 HB2 PRO 32 HB2 PRO 32 18.147 0.547 0.893 267 HB3 PRO 32 HB3 PRO 32 18.547 2.199 0.412 268 HG2 PRO 32 HG2 PRO 32 17.367 1.731 2.742 269 HG3 PRO 32 HG3 PRO 32 16.904 3.132 1.760 270 HD2 PRO 32 HD2 PRO 32 15.485 0.523 2.123 271 HD3 PRO 32 HD3 PRO 32 14.836 2.171 2.030 272 H ASN 33 H ASN 33 16.670 -1.018 0.154 273 HA ASN 33 HA ASN 33 18.163 -1.991 -2.182 274 HB2 ASN 33 HB2 ASN 33 17.269 -3.449 0.312 275 HB3 ASN 33 HB3 ASN 33 18.257 -4.149 -0.954 276 HD21 ASN 33 HD21 ASN 33 18.156 -1.953 1.703 277 HD22 ASN 33 HD22 ASN 33 19.850 -1.709 1.860 278 H CYS 34 H CYS 34 15.056 -1.301 -1.808 279 HA CYS 34 HA CYS 34 14.163 -3.584 -3.275 280 HB2 CYS 34 HB2 CYS 34 12.959 -2.355 -0.854 281 HB3 CYS 34 HB3 CYS 34 12.089 -3.468 -1.893 282 H ALA 35 H ALA 35 11.811 -3.008 -3.923 283 HA ALA 35 HA ALA 35 12.005 -0.711 -5.604 284 HB1 ALA 35 HB1 ALA 35 9.832 -1.492 -6.437 285 HB2 ALA 35 HB2 ALA 35 9.745 -2.658 -5.118 286 HB3 ALA 35 HB3 ALA 35 10.992 -2.818 -6.354 287 H LEU 36 H LEU 36 9.392 0.169 -5.632 288 HA LEU 36 HA LEU 36 9.355 1.764 -3.223 289 HB2 LEU 36 HB2 LEU 36 9.329 2.777 -5.500 290 HB3 LEU 36 HB3 LEU 36 7.849 1.935 -5.846 291 HG LEU 36 HG LEU 36 7.594 4.373 -5.437 292 HD11 LEU 36 HD11 LEU 36 5.699 2.922 -5.165 293 HD12 LEU 36 HD12 LEU 36 5.664 4.240 -3.996 294 HD13 LEU 36 HD13 LEU 36 6.148 2.622 -3.485 295 HD21 LEU 36 HD21 LEU 36 7.725 5.222 -3.159 296 HD22 LEU 36 HD22 LEU 36 9.289 4.645 -3.728 297 HD23 LEU 36 HD23 LEU 36 8.337 3.664 -2.609 298 H GLN 37 H GLN 37 8.102 1.055 -1.544 299 HA GLN 37 HA GLN 37 5.887 -0.765 -2.139 300 HB2 GLN 37 HB2 GLN 37 7.353 -0.184 0.428 301 HB3 GLN 37 HB3 GLN 37 5.732 -0.819 0.489 302 HG2 GLN 37 HG2 GLN 37 7.112 -2.694 0.792 303 HG3 GLN 37 HG3 GLN 37 6.656 -2.776 -0.895 304 HE21 GLN 37 HE21 GLN 37 8.605 -0.817 -1.708 305 HE22 GLN 37 HE22 GLN 37 10.120 -1.630 -1.548 306 H ILE 38 H ILE 38 3.882 -0.059 -2.168 307 HA ILE 38 HA ILE 38 3.265 2.466 -0.797 308 HB ILE 38 HB ILE 38 1.756 0.964 -2.939 309 HG12 ILE 38 HG12 ILE 38 3.277 3.557 -3.123 310 HG13 ILE 38 HG13 ILE 38 3.812 2.005 -3.756 311 HG21 ILE 38 HG21 ILE 38 0.216 2.169 -1.489 312 HG22 ILE 38 HG22 ILE 38 0.294 2.971 -3.056 313 HG23 ILE 38 HG23 ILE 38 1.143 3.655 -1.677 314 HD11 ILE 38 HD11 ILE 38 1.416 3.568 -4.629 315 HD12 ILE 38 HD12 ILE 38 1.901 1.992 -5.281 316 HD13 ILE 38 HD13 ILE 38 2.944 3.411 -5.489 317 H VAL 39 H VAL 39 2.007 2.281 0.986 318 HA VAL 39 HA VAL 39 0.718 -0.302 1.456 319 HB VAL 39 HB VAL 39 1.718 1.710 3.490 320 HG11 VAL 39 HG11 VAL 39 0.563 -1.046 3.883 321 HG12 VAL 39 HG12 VAL 39 -0.206 0.481 4.299 322 HG13 VAL 39 HG13 VAL 39 1.246 -0.031 5.150 323 HG21 VAL 39 HG21 VAL 39 3.595 0.612 2.399 324 HG22 VAL 39 HG22 VAL 39 2.883 -0.970 2.721 325 HG23 VAL 39 HG23 VAL 39 3.438 0.037 4.060 326 H ALA 40 H ALA 40 -1.383 -0.273 1.807 327 HA ALA 40 HA ALA 40 -2.731 2.288 2.286 328 HB1 ALA 40 HB1 ALA 40 -2.832 1.857 -0.099 329 HB2 ALA 40 HB2 ALA 40 -4.425 1.650 0.636 330 HB3 ALA 40 HB3 ALA 40 -3.451 0.240 0.220 331 H ARG 41 H ARG 41 -4.612 2.064 3.419 332 HA ARG 41 HA ARG 41 -5.152 -0.671 4.298 333 HB2 ARG 41 HB2 ARG 41 -4.475 1.119 6.191 334 HB3 ARG 41 HB3 ARG 41 -6.015 1.750 5.835 335 HG2 ARG 41 HG2 ARG 41 -7.236 -0.077 6.511 336 HG3 ARG 41 HG3 ARG 41 -5.851 -1.154 6.432 337 HD2 ARG 41 HD2 ARG 41 -6.429 -0.728 8.700 338 HD3 ARG 41 HD3 ARG 41 -4.868 0.003 8.347 339 HE ARG 41 HE ARG 41 -6.444 2.097 8.035 340 HH11 ARG 41 HH11 ARG 41 -6.496 -0.414 10.495 341 HH12 ARG 41 HH12 ARG 41 -7.150 0.566 11.717 342 HH21 ARG 41 HH21 ARG 41 -7.301 3.485 9.697 343 HH22 ARG 41 HH22 ARG 41 -7.616 2.856 11.254 344 H LEU 42 H LEU 42 -7.043 -1.439 3.865 345 HA LEU 42 HA LEU 42 -8.713 0.081 2.111 346 HB2 LEU 42 HB2 LEU 42 -9.157 -2.635 3.343 347 HB3 LEU 42 HB3 LEU 42 -10.050 -1.981 1.996 348 HG LEU 42 HG LEU 42 -7.120 -2.679 2.000 349 HD11 LEU 42 HD11 LEU 42 -7.726 -4.417 0.443 350 HD12 LEU 42 HD12 LEU 42 -9.434 -4.016 0.646 351 HD13 LEU 42 HD13 LEU 42 -8.496 -4.638 2.007 352 HD21 LEU 42 HD21 LEU 42 -7.188 -2.225 -0.401 353 HD22 LEU 42 HD22 LEU 42 -7.520 -0.783 0.561 354 HD23 LEU 42 HD23 LEU 42 -8.849 -1.641 -0.231 355 H LYS 43 H LYS 43 -10.848 0.734 2.473 356 HA LYS 43 HA LYS 43 -11.382 1.527 5.153 357 HB2 LYS 43 HB2 LYS 43 -13.052 1.872 2.666 358 HB3 LYS 43 HB3 LYS 43 -13.335 2.641 4.218 359 HG2 LYS 43 HG2 LYS 43 -11.199 3.821 4.022 360 HG3 LYS 43 HG3 LYS 43 -10.921 3.048 2.464 361 HD2 LYS 43 HD2 LYS 43 -11.764 5.314 2.161 362 HD3 LYS 43 HD3 LYS 43 -12.944 4.137 1.581 363 HE2 LYS 43 HE2 LYS 43 -14.200 4.343 3.615 364 HE3 LYS 43 HE3 LYS 43 -12.968 5.423 4.279 365 HZ1 LYS 43 HZ1 LYS 43 -14.900 6.639 3.467 366 HZ2 LYS 43 HZ2 LYS 43 -14.759 5.981 1.944 367 HZ3 LYS 43 HZ3 LYS 43 -13.575 7.033 2.520 368 H ASN 44 H ASN 44 -13.123 -0.376 2.749 369 HA ASN 44 HA ASN 44 -15.149 -1.171 4.606 370 HB2 ASN 44 HB2 ASN 44 -15.463 -0.868 2.118 371 HB3 ASN 44 HB3 ASN 44 -14.475 -2.287 1.873 372 HD21 ASN 44 HD21 ASN 44 -17.218 -1.727 1.111 373 HD22 ASN 44 HD22 ASN 44 -18.167 -3.003 1.792 374 H ASN 45 H ASN 45 -12.242 -2.528 3.297 375 HA ASN 45 HA ASN 45 -12.772 -5.107 4.560 376 HB2 ASN 45 HB2 ASN 45 -11.819 -4.789 2.185 377 HB3 ASN 45 HB3 ASN 45 -10.320 -4.354 2.973 378 HD21 ASN 45 HD21 ASN 45 -10.669 -6.435 5.109 379 HD22 ASN 45 HD22 ASN 45 -10.357 -7.916 4.288 380 H ASN 46 H ASN 46 -10.832 -2.243 5.072 381 HA ASN 46 HA ASN 46 -9.460 -1.501 6.739 382 HB2 ASN 46 HB2 ASN 46 -11.395 -2.083 8.171 383 HB3 ASN 46 HB3 ASN 46 -10.815 -3.729 8.319 384 HD21 ASN 46 HD21 ASN 46 -9.177 -4.160 9.772 385 HD22 ASN 46 HD22 ASN 46 -8.594 -3.013 10.916 386 H ARG 47 H ARG 47 -8.722 -4.343 5.195 387 HA ARG 47 HA ARG 47 -6.540 -5.052 6.777 388 HB2 ARG 47 HB2 ARG 47 -7.387 -5.543 3.971 389 HB3 ARG 47 HB3 ARG 47 -5.941 -6.236 4.645 390 HG2 ARG 47 HG2 ARG 47 -7.246 -7.381 6.296 391 HG3 ARG 47 HG3 ARG 47 -8.724 -6.686 5.597 392 HD2 ARG 47 HD2 ARG 47 -8.233 -7.612 3.497 393 HD3 ARG 47 HD3 ARG 47 -6.674 -8.172 4.123 394 HE ARG 47 HE ARG 47 -8.625 -9.331 5.686 395 HH11 ARG 47 HH11 ARG 47 -7.750 -9.393 2.267 396 HH12 ARG 47 HH12 ARG 47 -8.402 -10.923 1.958 397 HH21 ARG 47 HH21 ARG 47 -9.541 -11.475 5.276 398 HH22 ARG 47 HH22 ARG 47 -9.438 -12.135 3.699 399 H GLN 48 H GLN 48 -4.442 -4.422 6.513 400 HA GLN 48 HA GLN 48 -4.056 -2.203 4.748 401 HB2 GLN 48 HB2 GLN 48 -3.518 -1.804 7.085 402 HB3 GLN 48 HB3 GLN 48 -2.462 -3.226 7.106 403 HG2 GLN 48 HG2 GLN 48 -0.984 -2.176 5.658 404 HG3 GLN 48 HG3 GLN 48 -2.184 -0.898 5.368 405 HE21 GLN 48 HE21 GLN 48 0.067 -2.235 7.687 406 HE22 GLN 48 HE22 GLN 48 0.163 -0.871 8.718 407 H VAL 49 H VAL 49 -3.147 -2.582 2.942 408 HA VAL 49 HA VAL 49 -1.465 -4.945 2.599 409 HB VAL 49 HB VAL 49 -2.454 -5.272 0.361 410 HG11 VAL 49 HG11 VAL 49 -4.601 -6.258 1.080 411 HG12 VAL 49 HG12 VAL 49 -4.476 -5.377 2.604 412 HG13 VAL 49 HG13 VAL 49 -3.293 -6.622 2.205 413 HG21 VAL 49 HG21 VAL 49 -3.277 -3.019 -0.058 414 HG22 VAL 49 HG22 VAL 49 -4.497 -3.201 1.205 415 HG23 VAL 49 HG23 VAL 49 -4.571 -4.193 -0.258 416 H CYS 50 H CYS 50 -0.635 -4.643 0.115 417 HA CYS 50 HA CYS 50 0.461 -1.951 0.114 418 HB2 CYS 50 HB2 CYS 50 1.723 -4.457 -0.997 419 HB3 CYS 50 HB3 CYS 50 2.404 -2.840 -0.974 420 H ILE 51 H ILE 51 0.768 -1.006 -1.877 421 HA ILE 51 HA ILE 51 -0.956 -2.051 -3.994 422 HB ILE 51 HB ILE 51 -0.300 0.859 -3.447 423 HG12 ILE 51 HG12 ILE 51 -2.740 -0.781 -2.838 424 HG13 ILE 51 HG13 ILE 51 -1.711 0.046 -1.703 425 HG21 ILE 51 HG21 ILE 51 -0.726 0.383 -5.794 426 HG22 ILE 51 HG22 ILE 51 -2.082 1.281 -5.097 427 HG23 ILE 51 HG23 ILE 51 -2.211 -0.459 -5.356 428 HD11 ILE 51 HD11 ILE 51 -2.387 2.219 -2.572 429 HD12 ILE 51 HD12 ILE 51 -3.788 1.289 -2.032 430 HD13 ILE 51 HD13 ILE 51 -3.429 1.422 -3.754 431 H ASP 52 H ASP 52 -0.190 -1.968 -6.051 432 HA ASP 52 HA ASP 52 2.684 -1.973 -6.300 433 HB2 ASP 52 HB2 ASP 52 1.173 -3.650 -7.176 434 HB3 ASP 52 HB3 ASP 52 0.551 -2.429 -8.349 435 HA PRO 53 HA PRO 53 2.744 2.212 -7.882 436 HB2 PRO 53 HB2 PRO 53 5.180 2.099 -9.127 437 HB3 PRO 53 HB3 PRO 53 4.964 2.338 -7.391 438 HG2 PRO 53 HG2 PRO 53 5.592 -0.163 -8.895 439 HG3 PRO 53 HG3 PRO 53 6.272 0.421 -7.363 440 HD2 PRO 53 HD2 PRO 53 4.384 -1.491 -7.455 441 HD3 PRO 53 HD3 PRO 53 4.444 -0.298 -6.140 442 H LYS 54 H LYS 54 2.550 -0.588 -9.878 443 HA LYS 54 HA LYS 54 2.761 0.808 -12.399 444 HB2 LYS 54 HB2 LYS 54 2.091 -1.194 -13.457 445 HB3 LYS 54 HB3 LYS 54 3.213 -1.605 -12.171 446 HG2 LYS 54 HG2 LYS 54 1.347 -2.309 -10.766 447 HG3 LYS 54 HG3 LYS 54 0.216 -1.873 -12.054 448 HD2 LYS 54 HD2 LYS 54 0.590 -4.240 -12.181 449 HD3 LYS 54 HD3 LYS 54 1.395 -3.384 -13.519 450 HE2 LYS 54 HE2 LYS 54 3.535 -3.552 -12.442 451 HE3 LYS 54 HE3 LYS 54 2.809 -4.280 -11.009 452 HZ1 LYS 54 HZ1 LYS 54 3.866 -5.905 -12.405 453 HZ2 LYS 54 HZ2 LYS 54 2.916 -5.474 -13.722 454 HZ3 LYS 54 HZ3 LYS 54 2.210 -6.195 -12.369 455 H LEU 55 H LEU 55 0.364 0.835 -10.018 456 HA LEU 55 HA LEU 55 -1.836 0.802 -11.756 457 HB2 LEU 55 HB2 LEU 55 -1.390 1.520 -8.933 458 HB3 LEU 55 HB3 LEU 55 -2.936 1.838 -9.630 459 HG LEU 55 HG LEU 55 -1.644 -0.880 -9.357 460 HD11 LEU 55 HD11 LEU 55 -4.068 0.345 -8.051 461 HD12 LEU 55 HD12 LEU 55 -2.500 0.104 -7.278 462 HD13 LEU 55 HD13 LEU 55 -3.458 -1.288 -7.789 463 HD21 LEU 55 HD21 LEU 55 -3.771 -1.737 -10.164 464 HD22 LEU 55 HD22 LEU 55 -2.998 -0.744 -11.396 465 HD23 LEU 55 HD23 LEU 55 -4.339 -0.098 -10.434 466 H LYS 56 H LYS 56 -3.057 2.371 -12.455 467 HA LYS 56 HA LYS 56 -1.567 4.655 -13.306 468 HB2 LYS 56 HB2 LYS 56 -4.396 3.840 -13.951 469 HB3 LYS 56 HB3 LYS 56 -3.532 5.169 -14.712 470 HG2 LYS 56 HG2 LYS 56 -1.856 3.629 -15.557 471 HG3 LYS 56 HG3 LYS 56 -2.683 2.283 -14.787 472 HD2 LYS 56 HD2 LYS 56 -4.656 2.721 -16.185 473 HD3 LYS 56 HD3 LYS 56 -3.802 4.057 -16.959 474 HE2 LYS 56 HE2 LYS 56 -2.975 1.155 -16.999 475 HE3 LYS 56 HE3 LYS 56 -3.704 2.043 -18.335 476 HZ1 LYS 56 HZ1 LYS 56 -1.750 3.502 -18.352 477 HZ2 LYS 56 HZ2 LYS 56 -1.320 1.900 -18.601 478 HZ3 LYS 56 HZ3 LYS 56 -1.048 2.602 -17.108 479 H TRP 57 H TRP 57 -4.297 4.159 -11.099 480 HA TRP 57 HA TRP 57 -4.582 6.987 -10.794 481 HB2 TRP 57 HB2 TRP 57 -6.097 6.571 -8.913 482 HB3 TRP 57 HB3 TRP 57 -6.498 5.501 -10.234 483 HD1 TRP 57 HD1 TRP 57 -6.241 2.828 -9.726 484 HE1 TRP 57 HE1 TRP 57 -6.090 1.549 -7.539 485 HE3 TRP 57 HE3 TRP 57 -5.041 6.702 -6.600 486 HZ2 TRP 57 HZ2 TRP 57 -5.535 2.066 -4.842 487 HZ3 TRP 57 HZ3 TRP 57 -4.729 6.209 -4.208 488 HH2 TRP 57 HH2 TRP 57 -4.978 3.957 -3.346 489 H ILE 58 H ILE 58 -2.626 4.591 -9.498 490 HA ILE 58 HA ILE 58 -1.523 6.012 -7.326 491 HB ILE 58 HB ILE 58 -0.506 3.734 -9.016 492 HG12 ILE 58 HG12 ILE 58 -2.361 3.170 -7.561 493 HG13 ILE 58 HG13 ILE 58 -0.904 2.388 -6.985 494 HG21 ILE 58 HG21 ILE 58 1.251 3.383 -7.369 495 HG22 ILE 58 HG22 ILE 58 0.866 4.934 -6.638 496 HG23 ILE 58 HG23 ILE 58 1.465 4.873 -8.300 497 HD11 ILE 58 HD11 ILE 58 -0.645 4.085 -5.280 498 HD12 ILE 58 HD12 ILE 58 -2.194 3.255 -5.150 499 HD13 ILE 58 HD13 ILE 58 -2.135 4.874 -5.829 500 H GLN 59 H GLN 59 -0.643 5.720 -10.739 501 HA GLN 59 HA GLN 59 1.658 7.257 -10.745 502 HB2 GLN 59 HB2 GLN 59 -0.516 7.116 -12.821 503 HB3 GLN 59 HB3 GLN 59 1.032 7.902 -13.076 504 HG2 GLN 59 HG2 GLN 59 0.613 4.984 -12.471 505 HG3 GLN 59 HG3 GLN 59 0.971 5.677 -14.054 506 HE21 GLN 59 HE21 GLN 59 2.221 4.840 -10.952 507 HE22 GLN 59 HE22 GLN 59 3.883 5.080 -11.326 508 H GLU 60 H GLU 60 -1.680 8.318 -11.173 509 HA GLU 60 HA GLU 60 -1.135 11.047 -11.345 510 HB2 GLU 60 HB2 GLU 60 -3.642 9.687 -10.361 511 HB3 GLU 60 HB3 GLU 60 -3.512 11.373 -10.846 512 HG2 GLU 60 HG2 GLU 60 -3.123 8.964 -12.609 513 HG3 GLU 60 HG3 GLU 60 -4.489 10.073 -12.624 514 H TYR 61 H TYR 61 -1.804 8.977 -8.557 515 HA TYR 61 HA TYR 61 -1.909 11.010 -6.629 516 HB2 TYR 61 HB2 TYR 61 -2.665 8.693 -6.190 517 HB3 TYR 61 HB3 TYR 61 -0.992 8.145 -6.264 518 HD1 TYR 61 HD1 TYR 61 -3.350 10.259 -4.344 519 HD2 TYR 61 HD2 TYR 61 0.417 8.278 -4.345 520 HE1 TYR 61 HE1 TYR 61 -3.106 10.724 -1.944 521 HE2 TYR 61 HE2 TYR 61 0.670 8.742 -1.950 522 HH TYR 61 HH TYR 61 -1.918 9.888 -0.041 523 H LEU 62 H LEU 62 0.868 9.100 -7.800 524 HA LEU 62 HA LEU 62 2.711 10.337 -6.042 525 HB2 LEU 62 HB2 LEU 62 3.072 8.652 -8.476 526 HB3 LEU 62 HB3 LEU 62 4.451 9.488 -7.799 527 HG LEU 62 HG LEU 62 4.112 8.277 -5.660 528 HD11 LEU 62 HD11 LEU 62 1.977 6.791 -7.110 529 HD12 LEU 62 HD12 LEU 62 1.752 7.920 -5.782 530 HD13 LEU 62 HD13 LEU 62 2.620 6.402 -5.508 531 HD21 LEU 62 HD21 LEU 62 5.634 7.436 -7.306 532 HD22 LEU 62 HD22 LEU 62 4.323 6.528 -8.080 533 HD23 LEU 62 HD23 LEU 62 4.849 6.109 -6.442 534 H GLU 63 H GLU 63 1.609 11.222 -9.215 535 HA GLU 63 HA GLU 63 3.642 13.234 -9.551 536 HB2 GLU 63 HB2 GLU 63 0.959 13.039 -10.943 537 HB3 GLU 63 HB3 GLU 63 2.286 14.089 -11.419 538 HG2 GLU 63 HG2 GLU 63 2.237 11.092 -11.466 539 HG3 GLU 63 HG3 GLU 63 2.204 12.169 -12.853 540 H LYS 64 H LYS 64 0.349 13.142 -8.441 541 HA LYS 64 HA LYS 64 -0.187 15.782 -7.839 542 HB2 LYS 64 HB2 LYS 64 -1.845 14.095 -7.530 543 HB3 LYS 64 HB3 LYS 64 -0.830 13.227 -6.399 544 HG2 LYS 64 HG2 LYS 64 -2.318 14.229 -5.048 545 HG3 LYS 64 HG3 LYS 64 -0.922 15.208 -4.944 546 HD2 LYS 64 HD2 LYS 64 -2.789 16.740 -5.136 547 HD3 LYS 64 HD3 LYS 64 -1.763 16.852 -6.569 548 HE2 LYS 64 HE2 LYS 64 -4.097 16.911 -7.220 549 HE3 LYS 64 HE3 LYS 64 -3.387 15.401 -7.775 550 HZ1 LYS 64 HZ1 LYS 64 -5.012 15.745 -5.323 551 HZ2 LYS 64 HZ2 LYS 64 -4.395 14.280 -5.863 552 HZ3 LYS 64 HZ3 LYS 64 -5.575 15.093 -6.755 553 H ALA 65 H ALA 65 0.915 13.359 -5.606 554 HA ALA 65 HA ALA 65 1.720 14.981 -3.502 555 HB1 ALA 65 HB1 ALA 65 2.985 13.101 -2.636 556 HB2 ALA 65 HB2 ALA 65 2.960 12.332 -4.222 557 HB3 ALA 65 HB3 ALA 65 1.458 12.547 -3.321 558 H LEU 66 H LEU 66 3.724 14.056 -6.350 559 HA LEU 66 HA LEU 66 6.109 15.110 -5.297 560 HB2 LEU 66 HB2 LEU 66 6.076 13.494 -7.103 561 HB3 LEU 66 HB3 LEU 66 5.207 14.615 -8.129 562 HG LEU 66 HG LEU 66 7.114 16.112 -8.051 563 HD11 LEU 66 HD11 LEU 66 9.329 15.226 -7.322 564 HD12 LEU 66 HD12 LEU 66 8.510 13.805 -6.677 565 HD13 LEU 66 HD13 LEU 66 8.190 15.398 -5.990 566 HD21 LEU 66 HD21 LEU 66 7.673 13.351 -9.127 567 HD22 LEU 66 HD22 LEU 66 8.534 14.813 -9.606 568 HD23 LEU 66 HD23 LEU 66 6.811 14.653 -9.947 569 H ASN 67 H ASN 67 3.550 16.458 -7.340 570 HA ASN 67 HA ASN 67 4.876 18.972 -7.734 571 HB2 ASN 67 HB2 ASN 67 3.276 18.094 -9.385 572 HB3 ASN 67 HB3 ASN 67 1.989 18.163 -8.201 573 HD21 ASN 67 HD21 ASN 67 1.065 20.171 -7.723 574 HD22 ASN 67 HD22 ASN 67 1.355 21.573 -8.686 575 H LYS 68 H LYS 68 2.743 17.624 -5.410 576 HA LYS 68 HA LYS 68 1.849 18.258 -3.506 577 HB2 LYS 68 HB2 LYS 68 4.157 18.818 -2.908 578 HB3 LYS 68 HB3 LYS 68 3.962 20.424 -3.584 579 HG2 LYS 68 HG2 LYS 68 2.315 20.960 -1.887 580 HG3 LYS 68 HG3 LYS 68 2.451 19.331 -1.220 581 HD2 LYS 68 HD2 LYS 68 4.782 19.723 -0.717 582 HD3 LYS 68 HD3 LYS 68 4.680 21.334 -1.425 583 HE2 LYS 68 HE2 LYS 68 3.003 21.964 0.239 584 HE3 LYS 68 HE3 LYS 68 3.101 20.355 0.950 585 HZ1 LYS 68 HZ1 LYS 68 4.398 21.992 2.178 586 HZ2 LYS 68 HZ2 LYS 68 5.331 22.315 0.821 587 HZ3 LYS 68 HZ3 LYS 68 5.403 20.798 1.551 Start of MODEL 5 1 H LYS 1 H LYS 1 19.207 -21.261 -5.124 2 HA LYS 1 HA LYS 1 18.563 -20.916 -2.881 3 HB2 LYS 1 HB2 LYS 1 21.534 -21.138 -2.276 4 HB3 LYS 1 HB3 LYS 1 20.284 -20.717 -1.123 5 HG2 LYS 1 HG2 LYS 1 19.290 -22.955 -1.411 6 HG3 LYS 1 HG3 LYS 1 20.609 -23.380 -2.499 7 HD2 LYS 1 HD2 LYS 1 20.858 -22.592 0.402 8 HD3 LYS 1 HD3 LYS 1 20.969 -24.229 -0.230 9 HE2 LYS 1 HE2 LYS 1 22.967 -23.576 -1.525 10 HE3 LYS 1 HE3 LYS 1 22.843 -21.949 -0.857 11 HZ1 LYS 1 HZ1 LYS 1 24.458 -23.286 0.341 12 HZ2 LYS 1 HZ2 LYS 1 23.278 -24.416 0.733 13 HZ3 LYS 1 HZ3 LYS 1 23.194 -22.852 1.349 14 HA PRO 2 HA PRO 2 19.415 -16.782 -4.074 15 HB2 PRO 2 HB2 PRO 2 18.630 -15.385 -1.880 16 HB3 PRO 2 HB3 PRO 2 17.484 -16.112 -3.010 17 HG2 PRO 2 HG2 PRO 2 18.386 -17.077 -0.335 18 HG3 PRO 2 HG3 PRO 2 16.783 -17.181 -1.081 19 HD2 PRO 2 HD2 PRO 2 18.554 -19.273 -0.961 20 HD3 PRO 2 HD3 PRO 2 17.298 -19.105 -2.202 21 H VAL 3 H VAL 3 21.593 -16.640 -4.245 22 HA VAL 3 HA VAL 3 23.091 -15.944 -1.835 23 HB VAL 3 HB VAL 3 25.155 -16.399 -3.108 24 HG11 VAL 3 HG11 VAL 3 24.920 -18.826 -3.296 25 HG12 VAL 3 HG12 VAL 3 23.167 -18.653 -3.227 26 HG13 VAL 3 HG13 VAL 3 24.151 -18.200 -1.837 27 HG21 VAL 3 HG21 VAL 3 25.059 -17.459 -5.333 28 HG22 VAL 3 HG22 VAL 3 24.371 -15.838 -5.365 29 HG23 VAL 3 HG23 VAL 3 23.309 -17.250 -5.341 30 H SER 4 H SER 4 24.169 -14.059 -1.672 31 HA SER 4 HA SER 4 24.604 -11.889 -1.916 32 HB2 SER 4 HB2 SER 4 24.032 -12.269 -4.874 33 HB3 SER 4 HB3 SER 4 24.797 -10.842 -4.162 34 HG SER 4 HG SER 4 26.061 -12.991 -3.295 35 H LEU 5 H LEU 5 21.831 -12.970 -3.398 36 HA LEU 5 HA LEU 5 20.266 -10.579 -2.916 37 HB2 LEU 5 HB2 LEU 5 19.892 -12.196 -4.861 38 HB3 LEU 5 HB3 LEU 5 19.327 -13.361 -3.703 39 HG LEU 5 HG LEU 5 17.951 -10.728 -4.332 40 HD11 LEU 5 HD11 LEU 5 16.301 -12.108 -5.489 41 HD12 LEU 5 HD12 LEU 5 17.291 -13.534 -5.188 42 HD13 LEU 5 HD13 LEU 5 17.899 -12.239 -6.219 43 HD21 LEU 5 HD21 LEU 5 17.441 -11.541 -2.055 44 HD22 LEU 5 HD22 LEU 5 16.967 -13.101 -2.728 45 HD23 LEU 5 HD23 LEU 5 16.037 -11.651 -3.115 46 H SER 6 H SER 6 20.218 -10.251 -0.753 47 HA SER 6 HA SER 6 18.940 -12.316 0.868 48 HB2 SER 6 HB2 SER 6 21.493 -10.903 1.644 49 HB3 SER 6 HB3 SER 6 20.554 -11.964 2.695 50 HG SER 6 HG SER 6 20.903 -13.213 0.419 51 H TYR 7 H TYR 7 18.459 -9.512 -0.277 52 HA TYR 7 HA TYR 7 17.766 -8.194 2.204 53 HB2 TYR 7 HB2 TYR 7 17.631 -7.225 -0.656 54 HB3 TYR 7 HB3 TYR 7 17.017 -6.317 0.714 55 HD1 TYR 7 HD1 TYR 7 20.082 -7.656 -0.854 56 HD2 TYR 7 HD2 TYR 7 18.472 -5.112 2.144 57 HE1 TYR 7 HE1 TYR 7 22.298 -6.667 -0.506 58 HE2 TYR 7 HE2 TYR 7 20.692 -4.121 2.503 59 HH TYR 7 HH TYR 7 22.982 -4.620 2.150 60 H ARG 8 H ARG 8 15.806 -7.912 2.878 61 HA ARG 8 HA ARG 8 13.684 -9.218 1.359 62 HB2 ARG 8 HB2 ARG 8 12.621 -9.707 3.517 63 HB3 ARG 8 HB3 ARG 8 14.238 -10.382 3.461 64 HG2 ARG 8 HG2 ARG 8 15.021 -8.400 4.755 65 HG3 ARG 8 HG3 ARG 8 13.331 -7.923 4.932 66 HD2 ARG 8 HD2 ARG 8 13.964 -9.134 6.890 67 HD3 ARG 8 HD3 ARG 8 12.884 -10.151 5.940 68 HE ARG 8 HE ARG 8 15.780 -10.455 5.662 69 HH11 ARG 8 HH11 ARG 8 12.669 -11.894 6.579 70 HH12 ARG 8 HH12 ARG 8 13.332 -13.427 6.903 71 HH21 ARG 8 HH21 ARG 8 16.667 -12.609 6.093 72 HH22 ARG 8 HH22 ARG 8 15.620 -13.845 6.614 73 H CYS 9 H CYS 9 11.621 -8.143 1.500 74 HA CYS 9 HA CYS 9 12.054 -5.265 1.804 75 HB2 CYS 9 HB2 CYS 9 10.132 -6.710 -0.028 76 HB3 CYS 9 HB3 CYS 9 10.428 -4.978 0.019 77 HA PRO 10 HA PRO 10 8.876 -4.996 4.949 78 HB2 PRO 10 HB2 PRO 10 7.919 -2.696 3.259 79 HB3 PRO 10 HB3 PRO 10 8.209 -2.770 5.002 80 HG2 PRO 10 HG2 PRO 10 9.962 -1.592 3.424 81 HG3 PRO 10 HG3 PRO 10 10.509 -2.625 4.758 82 HD2 PRO 10 HD2 PRO 10 10.439 -3.190 1.828 83 HD3 PRO 10 HD3 PRO 10 11.635 -3.670 3.049 84 H CYS 11 H CYS 11 8.028 -4.977 1.536 85 HA CYS 11 HA CYS 11 5.626 -6.506 2.248 86 HB2 CYS 11 HB2 CYS 11 5.896 -4.488 0.015 87 HB3 CYS 11 HB3 CYS 11 4.537 -5.572 0.213 88 H ARG 12 H ARG 12 5.279 -8.300 1.017 89 HA ARG 12 HA ARG 12 7.223 -8.833 -1.116 90 HB2 ARG 12 HB2 ARG 12 5.666 -10.762 0.600 91 HB3 ARG 12 HB3 ARG 12 6.613 -11.237 -0.800 92 HG2 ARG 12 HG2 ARG 12 8.611 -10.327 0.271 93 HG3 ARG 12 HG3 ARG 12 7.658 -9.939 1.701 94 HD2 ARG 12 HD2 ARG 12 8.872 -12.051 1.965 95 HD3 ARG 12 HD3 ARG 12 7.125 -12.304 1.994 96 HE ARG 12 HE ARG 12 7.663 -12.717 -0.574 97 HH11 ARG 12 HH11 ARG 12 9.384 -13.950 2.253 98 HH12 ARG 12 HH12 ARG 12 9.759 -15.450 1.547 99 HH21 ARG 12 HH21 ARG 12 8.162 -14.734 -1.547 100 HH22 ARG 12 HH22 ARG 12 9.043 -15.924 -0.685 101 H PHE 13 H PHE 13 4.006 -8.197 -0.407 102 HA PHE 13 HA PHE 13 3.251 -9.052 -3.089 103 HB2 PHE 13 HB2 PHE 13 0.987 -9.426 -2.284 104 HB3 PHE 13 HB3 PHE 13 2.100 -10.396 -1.331 105 HD1 PHE 13 HD1 PHE 13 2.647 -9.622 1.019 106 HD2 PHE 13 HD2 PHE 13 -0.436 -7.841 -1.310 107 HE1 PHE 13 HE1 PHE 13 1.665 -8.656 3.057 108 HE2 PHE 13 HE2 PHE 13 -1.419 -6.874 0.718 109 HZ PHE 13 HZ PHE 13 -0.373 -7.279 2.907 110 H PHE 14 H PHE 14 2.178 -7.554 -4.269 111 HA PHE 14 HA PHE 14 1.362 -5.044 -2.992 112 HB2 PHE 14 HB2 PHE 14 2.810 -5.392 -5.562 113 HB3 PHE 14 HB3 PHE 14 2.070 -3.858 -5.084 114 HD1 PHE 14 HD1 PHE 14 3.034 -3.114 -2.657 115 HD2 PHE 14 HD2 PHE 14 5.005 -5.591 -5.477 116 HE1 PHE 14 HE1 PHE 14 5.157 -2.475 -1.708 117 HE2 PHE 14 HE2 PHE 14 7.154 -4.981 -4.540 118 HZ PHE 14 HZ PHE 14 7.269 -3.405 -2.628 119 H GLU 15 H GLU 15 -0.557 -4.498 -3.545 120 HA GLU 15 HA GLU 15 -2.002 -6.305 -5.257 121 HB2 GLU 15 HB2 GLU 15 -2.898 -4.041 -3.519 122 HB3 GLU 15 HB3 GLU 15 -3.973 -5.038 -4.488 123 HG2 GLU 15 HG2 GLU 15 -2.108 -6.077 -2.443 124 HG3 GLU 15 HG3 GLU 15 -3.819 -5.671 -2.117 125 H SER 16 H SER 16 -3.075 -5.770 -6.919 126 HA SER 16 HA SER 16 -2.501 -3.162 -8.195 127 HB2 SER 16 HB2 SER 16 -2.298 -4.420 -10.354 128 HB3 SER 16 HB3 SER 16 -1.029 -4.765 -9.174 129 HG SER 16 HG SER 16 -1.868 -6.696 -8.780 130 H HIS 17 H HIS 17 -4.891 -4.581 -6.852 131 HA HIS 17 HA HIS 17 -6.857 -4.039 -8.994 132 HB2 HIS 17 HB2 HIS 17 -6.511 -6.500 -8.327 133 HB3 HIS 17 HB3 HIS 17 -7.120 -6.060 -6.744 134 HD1 HIS 17 HD1 HIS 17 -8.183 -6.827 -10.223 135 HD2 HIS 17 HD2 HIS 17 -9.952 -5.648 -6.656 136 HE1 HIS 17 HE1 HIS 17 -10.630 -7.233 -10.522 137 HE2 HIS 17 HE2 HIS 17 -11.659 -6.152 -8.531 138 H VAL 18 H VAL 18 -5.572 -2.454 -6.822 139 HA VAL 18 HA VAL 18 -7.541 -2.103 -4.770 140 HB VAL 18 HB VAL 18 -5.127 -0.380 -5.295 141 HG11 VAL 18 HG11 VAL 18 -6.716 -0.836 -2.759 142 HG12 VAL 18 HG12 VAL 18 -6.722 0.627 -3.741 143 HG13 VAL 18 HG13 VAL 18 -5.259 0.148 -2.875 144 HG21 VAL 18 HG21 VAL 18 -3.933 -1.759 -3.641 145 HG22 VAL 18 HG22 VAL 18 -4.408 -2.680 -5.067 146 HG23 VAL 18 HG23 VAL 18 -5.324 -2.840 -3.568 147 H ALA 19 H ALA 19 -8.834 -0.247 -4.483 148 HA ALA 19 HA ALA 19 -8.999 1.555 -6.798 149 HB1 ALA 19 HB1 ALA 19 -11.111 0.786 -4.811 150 HB2 ALA 19 HB2 ALA 19 -10.963 0.148 -6.445 151 HB3 ALA 19 HB3 ALA 19 -11.335 1.858 -6.194 152 H ARG 20 H ARG 20 -9.094 3.757 -6.431 153 HA ARG 20 HA ARG 20 -7.908 4.835 -4.095 154 HB2 ARG 20 HB2 ARG 20 -7.788 5.994 -6.273 155 HB3 ARG 20 HB3 ARG 20 -9.528 6.214 -6.258 156 HG2 ARG 20 HG2 ARG 20 -8.471 8.296 -5.677 157 HG3 ARG 20 HG3 ARG 20 -9.292 7.664 -4.253 158 HD2 ARG 20 HD2 ARG 20 -7.132 6.767 -3.448 159 HD3 ARG 20 HD3 ARG 20 -6.334 7.483 -4.844 160 HE ARG 20 HE ARG 20 -7.515 8.890 -2.570 161 HH11 ARG 20 HH11 ARG 20 -5.713 9.103 -5.612 162 HH12 ARG 20 HH12 ARG 20 -5.005 10.601 -5.268 163 HH21 ARG 20 HH21 ARG 20 -6.493 10.958 -2.060 164 HH22 ARG 20 HH22 ARG 20 -5.461 11.682 -3.197 165 H ALA 21 H ALA 21 -11.162 4.184 -5.037 166 HA ALA 21 HA ALA 21 -12.382 5.822 -3.047 167 HB1 ALA 21 HB1 ALA 21 -13.575 3.589 -4.680 168 HB2 ALA 21 HB2 ALA 21 -13.531 5.288 -5.136 169 HB3 ALA 21 HB3 ALA 21 -14.472 4.781 -3.733 170 H ASN 22 H ASN 22 -10.781 2.840 -2.834 171 HA ASN 22 HA ASN 22 -12.353 2.116 -0.431 172 HB2 ASN 22 HB2 ASN 22 -12.326 0.450 -2.296 173 HB3 ASN 22 HB3 ASN 22 -10.588 0.305 -2.052 174 HD21 ASN 22 HD21 ASN 22 -10.614 -1.706 -1.447 175 HD22 ASN 22 HD22 ASN 22 -11.314 -2.389 -0.026 176 H VAL 23 H VAL 23 -9.566 3.627 -1.232 177 HA VAL 23 HA VAL 23 -8.061 2.379 0.940 178 HB VAL 23 HB VAL 23 -6.770 2.821 -1.097 179 HG11 VAL 23 HG11 VAL 23 -8.006 4.744 -1.955 180 HG12 VAL 23 HG12 VAL 23 -6.281 5.094 -1.848 181 HG13 VAL 23 HG13 VAL 23 -7.390 5.735 -0.637 182 HG21 VAL 23 HG21 VAL 23 -4.890 3.943 -0.083 183 HG22 VAL 23 HG22 VAL 23 -5.728 2.940 1.112 184 HG23 VAL 23 HG23 VAL 23 -5.965 4.677 1.120 185 H LYS 24 H LYS 24 -7.902 3.167 2.906 186 HA LYS 24 HA LYS 24 -9.253 5.710 3.374 187 HB2 LYS 24 HB2 LYS 24 -9.462 5.104 5.682 188 HB3 LYS 24 HB3 LYS 24 -9.993 3.753 4.694 189 HG2 LYS 24 HG2 LYS 24 -7.838 2.652 5.120 190 HG3 LYS 24 HG3 LYS 24 -7.400 3.990 6.186 191 HD2 LYS 24 HD2 LYS 24 -9.732 2.097 6.524 192 HD3 LYS 24 HD3 LYS 24 -8.275 2.156 7.513 193 HE2 LYS 24 HE2 LYS 24 -8.893 4.475 8.188 194 HE3 LYS 24 HE3 LYS 24 -10.373 4.310 7.266 195 HZ1 LYS 24 HZ1 LYS 24 -10.820 3.836 9.567 196 HZ2 LYS 24 HZ2 LYS 24 -9.630 2.643 9.601 197 HZ3 LYS 24 HZ3 LYS 24 -11.015 2.444 8.672 198 H HIS 25 H HIS 25 -6.069 4.345 3.419 199 HA HIS 25 HA HIS 25 -5.058 6.944 4.070 200 HB2 HIS 25 HB2 HIS 25 -4.059 6.545 6.187 201 HB3 HIS 25 HB3 HIS 25 -5.449 5.505 6.283 202 HD1 HIS 25 HD1 HIS 25 -2.512 5.599 7.656 203 HD2 HIS 25 HD2 HIS 25 -3.991 2.797 5.019 204 HE1 HIS 25 HE1 HIS 25 -1.242 3.485 8.130 205 HE2 HIS 25 HE2 HIS 25 -2.400 1.777 6.796 206 H LEU 26 H LEU 26 -3.164 7.364 3.102 207 HA LEU 26 HA LEU 26 -1.830 5.115 1.776 208 HB2 LEU 26 HB2 LEU 26 -1.938 8.034 0.986 209 HB3 LEU 26 HB3 LEU 26 -0.782 6.920 0.314 210 HG LEU 26 HG LEU 26 -2.505 7.257 -1.264 211 HD11 LEU 26 HD11 LEU 26 -3.352 5.011 -1.640 212 HD12 LEU 26 HD12 LEU 26 -2.841 4.556 -0.012 213 HD13 LEU 26 HD13 LEU 26 -1.642 5.042 -1.213 214 HD21 LEU 26 HD21 LEU 26 -4.272 8.060 0.158 215 HD22 LEU 26 HD22 LEU 26 -4.482 6.456 0.867 216 HD23 LEU 26 HD23 LEU 26 -4.866 6.731 -0.834 217 H LYS 27 H LYS 27 0.217 4.749 2.174 218 HA LYS 27 HA LYS 27 1.862 6.756 3.496 219 HB2 LYS 27 HB2 LYS 27 0.768 5.375 5.224 220 HB3 LYS 27 HB3 LYS 27 1.387 3.925 4.473 221 HG2 LYS 27 HG2 LYS 27 3.676 4.672 4.978 222 HG3 LYS 27 HG3 LYS 27 3.016 6.121 5.738 223 HD2 LYS 27 HD2 LYS 27 2.571 3.262 6.612 224 HD3 LYS 27 HD3 LYS 27 3.540 4.478 7.443 225 HE2 LYS 27 HE2 LYS 27 0.534 4.533 7.038 226 HE3 LYS 27 HE3 LYS 27 1.385 4.239 8.538 227 HZ1 LYS 27 HZ1 LYS 27 2.299 6.521 8.409 228 HZ2 LYS 27 HZ2 LYS 27 0.614 6.524 8.435 229 HZ3 LYS 27 HZ3 LYS 27 1.430 6.785 7.009 230 H ILE 28 H ILE 28 3.796 6.712 2.348 231 HA ILE 28 HA ILE 28 4.242 4.243 0.863 232 HB ILE 28 HB ILE 28 4.898 7.043 -0.095 233 HG12 ILE 28 HG12 ILE 28 2.815 5.040 -0.983 234 HG13 ILE 28 HG13 ILE 28 2.503 6.570 -0.184 235 HG21 ILE 28 HG21 ILE 28 6.534 5.361 -0.872 236 HG22 ILE 28 HG22 ILE 28 5.515 5.929 -2.205 237 HG23 ILE 28 HG23 ILE 28 5.195 4.362 -1.464 238 HD11 ILE 28 HD11 ILE 28 3.614 6.171 -2.958 239 HD12 ILE 28 HD12 ILE 28 3.391 7.746 -2.182 240 HD13 ILE 28 HD13 ILE 28 2.001 6.713 -2.541 241 H LEU 29 H LEU 29 6.048 3.253 1.052 242 HA LEU 29 HA LEU 29 8.185 4.461 2.654 243 HB2 LEU 29 HB2 LEU 29 6.903 2.605 3.730 244 HB3 LEU 29 HB3 LEU 29 7.341 1.592 2.371 245 HG LEU 29 HG LEU 29 9.676 1.651 3.009 246 HD11 LEU 29 HD11 LEU 29 10.365 2.673 5.132 247 HD12 LEU 29 HD12 LEU 29 8.740 3.329 5.346 248 HD13 LEU 29 HD13 LEU 29 9.750 3.885 4.010 249 HD21 LEU 29 HD21 LEU 29 9.493 0.377 5.081 250 HD22 LEU 29 HD22 LEU 29 8.235 -0.077 3.931 251 HD23 LEU 29 HD23 LEU 29 7.846 0.969 5.298 252 H ASN 30 H ASN 30 9.831 4.941 1.267 253 HA ASN 30 HA ASN 30 10.241 3.226 -1.045 254 HB2 ASN 30 HB2 ASN 30 12.052 4.799 -1.706 255 HB3 ASN 30 HB3 ASN 30 10.521 5.626 -1.473 256 HD21 ASN 30 HD21 ASN 30 10.315 7.097 0.205 257 HD22 ASN 30 HD22 ASN 30 11.667 7.660 1.094 258 H THR 31 H THR 31 11.806 1.705 -1.247 259 HA THR 31 HA THR 31 13.542 1.434 1.081 260 HB THR 31 HB THR 31 12.151 -0.710 -0.540 261 HG1 THR 31 HG1 THR 31 11.202 0.847 1.307 262 HG21 THR 31 HG21 THR 31 12.888 -2.217 1.236 263 HG22 THR 31 HG22 THR 31 13.737 -0.882 2.025 264 HG23 THR 31 HG23 THR 31 14.272 -1.452 0.440 265 HA PRO 32 HA PRO 32 16.583 2.055 -2.130 266 HB2 PRO 32 HB2 PRO 32 18.751 0.912 -0.813 267 HB3 PRO 32 HB3 PRO 32 18.219 2.587 -0.666 268 HG2 PRO 32 HG2 PRO 32 17.708 0.270 1.131 269 HG3 PRO 32 HG3 PRO 32 17.968 1.969 1.543 270 HD2 PRO 32 HD2 PRO 32 15.520 0.842 1.597 271 HD3 PRO 32 HD3 PRO 32 15.775 2.538 1.136 272 H ASN 33 H ASN 33 16.582 -1.170 -0.654 273 HA ASN 33 HA ASN 33 17.755 -2.259 -3.129 274 HB2 ASN 33 HB2 ASN 33 17.340 -3.581 -0.441 275 HB3 ASN 33 HB3 ASN 33 18.057 -4.360 -1.838 276 HD21 ASN 33 HD21 ASN 33 18.480 -2.005 0.643 277 HD22 ASN 33 HD22 ASN 33 20.176 -1.783 0.436 278 H CYS 34 H CYS 34 14.799 -1.484 -2.452 279 HA CYS 34 HA CYS 34 13.651 -3.810 -3.636 280 HB2 CYS 34 HB2 CYS 34 12.718 -2.335 -1.205 281 HB3 CYS 34 HB3 CYS 34 11.734 -3.480 -2.102 282 H ALA 35 H ALA 35 11.246 -3.055 -4.140 283 HA ALA 35 HA ALA 35 11.462 -0.725 -5.815 284 HB1 ALA 35 HB1 ALA 35 9.179 -1.337 -6.506 285 HB2 ALA 35 HB2 ALA 35 9.111 -2.543 -5.222 286 HB3 ALA 35 HB3 ALA 35 10.243 -2.743 -6.559 287 H LEU 36 H LEU 36 8.852 0.314 -5.563 288 HA LEU 36 HA LEU 36 9.204 1.815 -3.104 289 HB2 LEU 36 HB2 LEU 36 8.811 2.933 -5.272 290 HB3 LEU 36 HB3 LEU 36 7.251 2.142 -5.377 291 HG LEU 36 HG LEU 36 6.579 3.359 -3.309 292 HD11 LEU 36 HD11 LEU 36 7.912 5.297 -2.635 293 HD12 LEU 36 HD12 LEU 36 9.182 4.798 -3.751 294 HD13 LEU 36 HD13 LEU 36 8.761 3.776 -2.376 295 HD21 LEU 36 HD21 LEU 36 5.944 4.140 -5.513 296 HD22 LEU 36 HD22 LEU 36 7.456 5.042 -5.642 297 HD23 LEU 36 HD23 LEU 36 6.256 5.498 -4.426 298 H GLN 37 H GLN 37 8.108 1.176 -1.275 299 HA GLN 37 HA GLN 37 5.844 -0.603 -1.659 300 HB2 GLN 37 HB2 GLN 37 7.483 0.060 0.780 301 HB3 GLN 37 HB3 GLN 37 5.859 -0.553 0.984 302 HG2 GLN 37 HG2 GLN 37 7.294 -2.403 1.256 303 HG3 GLN 37 HG3 GLN 37 6.599 -2.584 -0.332 304 HE21 GLN 37 HE21 GLN 37 8.439 -0.649 -1.472 305 HE22 GLN 37 HE22 GLN 37 9.968 -1.427 -1.561 306 H ILE 38 H ILE 38 3.894 0.044 -1.584 307 HA ILE 38 HA ILE 38 3.331 2.649 -0.377 308 HB ILE 38 HB ILE 38 1.939 1.146 -2.582 309 HG12 ILE 38 HG12 ILE 38 3.492 3.728 -2.713 310 HG13 ILE 38 HG13 ILE 38 4.088 2.159 -3.244 311 HG21 ILE 38 HG21 ILE 38 0.316 2.408 -1.256 312 HG22 ILE 38 HG22 ILE 38 0.516 3.172 -2.830 313 HG23 ILE 38 HG23 ILE 38 1.285 3.872 -1.410 314 HD11 ILE 38 HD11 ILE 38 1.767 3.678 -4.385 315 HD12 ILE 38 HD12 ILE 38 2.324 2.086 -4.934 316 HD13 ILE 38 HD13 ILE 38 3.372 3.509 -5.093 317 H VAL 39 H VAL 39 2.196 2.454 1.428 318 HA VAL 39 HA VAL 39 0.815 -0.081 1.918 319 HB VAL 39 HB VAL 39 1.730 2.015 3.891 320 HG11 VAL 39 HG11 VAL 39 0.573 -0.720 4.370 321 HG12 VAL 39 HG12 VAL 39 -0.214 0.820 4.701 322 HG13 VAL 39 HG13 VAL 39 1.214 0.346 5.618 323 HG21 VAL 39 HG21 VAL 39 3.643 0.890 2.913 324 HG22 VAL 39 HG22 VAL 39 2.927 -0.682 3.265 325 HG23 VAL 39 HG23 VAL 39 3.436 0.370 4.587 326 H ALA 40 H ALA 40 -1.257 -0.083 2.072 327 HA ALA 40 HA ALA 40 -2.755 2.398 2.575 328 HB1 ALA 40 HB1 ALA 40 -2.651 2.092 0.189 329 HB2 ALA 40 HB2 ALA 40 -4.277 1.759 0.785 330 HB3 ALA 40 HB3 ALA 40 -3.202 0.425 0.370 331 H ARG 41 H ARG 41 -4.699 2.034 3.552 332 HA ARG 41 HA ARG 41 -5.212 -0.759 4.164 333 HB2 ARG 41 HB2 ARG 41 -4.511 0.876 6.262 334 HB3 ARG 41 HB3 ARG 41 -6.117 1.382 6.038 335 HG2 ARG 41 HG2 ARG 41 -7.142 -0.587 6.619 336 HG3 ARG 41 HG3 ARG 41 -5.732 -1.532 6.143 337 HD2 ARG 41 HD2 ARG 41 -6.063 -1.610 8.539 338 HD3 ARG 41 HD3 ARG 41 -4.552 -0.832 8.127 339 HE ARG 41 HE ARG 41 -6.321 1.214 8.469 340 HH11 ARG 41 HH11 ARG 41 -5.144 -1.504 10.401 341 HH12 ARG 41 HH12 ARG 41 -5.384 -0.779 11.905 342 HH21 ARG 41 HH21 ARG 41 -6.653 2.287 10.565 343 HH22 ARG 41 HH22 ARG 41 -6.290 1.456 11.997 344 H LEU 42 H LEU 42 -7.157 -1.439 3.774 345 HA LEU 42 HA LEU 42 -8.733 0.246 2.062 346 HB2 LEU 42 HB2 LEU 42 -9.254 -2.567 3.002 347 HB3 LEU 42 HB3 LEU 42 -10.112 -1.757 1.717 348 HG LEU 42 HG LEU 42 -7.196 -2.530 1.699 349 HD11 LEU 42 HD11 LEU 42 -7.837 -4.047 -0.089 350 HD12 LEU 42 HD12 LEU 42 -9.528 -3.608 0.150 351 HD13 LEU 42 HD13 LEU 42 -8.631 -4.427 1.433 352 HD21 LEU 42 HD21 LEU 42 -7.196 -1.787 -0.630 353 HD22 LEU 42 HD22 LEU 42 -7.509 -0.457 0.489 354 HD23 LEU 42 HD23 LEU 42 -8.843 -1.177 -0.421 355 H LYS 43 H LYS 43 -10.776 0.997 2.343 356 HA LYS 43 HA LYS 43 -11.569 1.715 4.960 357 HB2 LYS 43 HB2 LYS 43 -13.061 1.868 2.341 358 HB3 LYS 43 HB3 LYS 43 -13.568 2.642 3.836 359 HG2 LYS 43 HG2 LYS 43 -11.577 4.014 3.785 360 HG3 LYS 43 HG3 LYS 43 -11.057 3.247 2.272 361 HD2 LYS 43 HD2 LYS 43 -12.097 5.387 1.836 362 HD3 LYS 43 HD3 LYS 43 -13.154 4.104 1.245 363 HE2 LYS 43 HE2 LYS 43 -14.547 4.278 3.200 364 HE3 LYS 43 HE3 LYS 43 -13.428 5.442 3.922 365 HZ1 LYS 43 HZ1 LYS 43 -15.347 6.534 3.002 366 HZ2 LYS 43 HZ2 LYS 43 -15.077 5.863 1.477 367 HZ3 LYS 43 HZ3 LYS 43 -13.979 6.962 2.120 368 H ASN 44 H ASN 44 -13.210 -0.247 2.503 369 HA ASN 44 HA ASN 44 -15.198 -1.158 4.356 370 HB2 ASN 44 HB2 ASN 44 -15.611 -0.783 1.917 371 HB3 ASN 44 HB3 ASN 44 -14.553 -2.129 1.556 372 HD21 ASN 44 HD21 ASN 44 -17.344 -1.674 0.904 373 HD22 ASN 44 HD22 ASN 44 -18.224 -3.017 1.536 374 H ASN 45 H ASN 45 -12.261 -2.454 3.016 375 HA ASN 45 HA ASN 45 -12.852 -5.069 4.153 376 HB2 ASN 45 HB2 ASN 45 -11.931 -4.869 1.837 377 HB3 ASN 45 HB3 ASN 45 -10.434 -4.280 2.531 378 HD21 ASN 45 HD21 ASN 45 -9.294 -6.071 1.594 379 HD22 ASN 45 HD22 ASN 45 -9.454 -7.627 2.266 380 H ASN 46 H ASN 46 -10.846 -2.300 4.911 381 HA ASN 46 HA ASN 46 -9.509 -1.769 6.705 382 HB2 ASN 46 HB2 ASN 46 -11.468 -2.486 8.039 383 HB3 ASN 46 HB3 ASN 46 -10.948 -4.154 7.940 384 HD21 ASN 46 HD21 ASN 46 -9.439 -4.892 9.387 385 HD22 ASN 46 HD22 ASN 46 -8.800 -3.949 10.680 386 H ARG 47 H ARG 47 -8.816 -4.245 4.831 387 HA ARG 47 HA ARG 47 -6.602 -5.183 6.414 388 HB2 ARG 47 HB2 ARG 47 -7.351 -5.709 3.570 389 HB3 ARG 47 HB3 ARG 47 -5.866 -6.292 4.295 390 HG2 ARG 47 HG2 ARG 47 -7.168 -7.543 5.929 391 HG3 ARG 47 HG3 ARG 47 -8.654 -6.972 5.153 392 HD2 ARG 47 HD2 ARG 47 -8.165 -9.135 4.181 393 HD3 ARG 47 HD3 ARG 47 -7.816 -7.776 3.096 394 HE ARG 47 HE ARG 47 -5.415 -8.209 4.168 395 HH11 ARG 47 HH11 ARG 47 -7.705 -10.350 2.538 396 HH12 ARG 47 HH12 ARG 47 -6.522 -11.335 1.826 397 HH21 ARG 47 HH21 ARG 47 -3.782 -9.518 3.178 398 HH22 ARG 47 HH22 ARG 47 -4.199 -10.858 2.212 399 H GLN 48 H GLN 48 -4.506 -4.977 5.815 400 HA GLN 48 HA GLN 48 -3.954 -2.407 4.629 401 HB2 GLN 48 HB2 GLN 48 -3.203 -2.652 6.908 402 HB3 GLN 48 HB3 GLN 48 -2.393 -4.172 6.507 403 HG2 GLN 48 HG2 GLN 48 -0.973 -2.963 5.024 404 HG3 GLN 48 HG3 GLN 48 -1.870 -1.508 5.470 405 HE21 GLN 48 HE21 GLN 48 1.056 -2.314 5.878 406 HE22 GLN 48 HE22 GLN 48 1.324 -2.058 7.547 407 H VAL 49 H VAL 49 -3.195 -2.530 2.657 408 HA VAL 49 HA VAL 49 -1.778 -4.953 1.877 409 HB VAL 49 HB VAL 49 -2.758 -4.771 -0.386 410 HG11 VAL 49 HG11 VAL 49 -4.996 -5.622 0.166 411 HG12 VAL 49 HG12 VAL 49 -4.796 -5.039 1.819 412 HG13 VAL 49 HG13 VAL 49 -3.751 -6.316 1.202 413 HG21 VAL 49 HG21 VAL 49 -3.327 -2.391 -0.400 414 HG22 VAL 49 HG22 VAL 49 -4.549 -2.666 0.845 415 HG23 VAL 49 HG23 VAL 49 -4.751 -3.368 -0.760 416 H CYS 50 H CYS 50 -0.158 -4.680 0.397 417 HA CYS 50 HA CYS 50 0.905 -1.992 0.301 418 HB2 CYS 50 HB2 CYS 50 2.154 -4.498 -0.857 419 HB3 CYS 50 HB3 CYS 50 2.897 -2.987 -0.429 420 H ILE 51 H ILE 51 1.061 -0.921 -1.575 421 HA ILE 51 HA ILE 51 -0.469 -2.068 -3.765 422 HB ILE 51 HB ILE 51 0.032 0.858 -3.187 423 HG12 ILE 51 HG12 ILE 51 -2.321 -0.925 -2.565 424 HG13 ILE 51 HG13 ILE 51 -1.313 -0.047 -1.448 425 HG21 ILE 51 HG21 ILE 51 -0.361 0.368 -5.528 426 HG22 ILE 51 HG22 ILE 51 -1.762 1.190 -4.826 427 HG23 ILE 51 HG23 ILE 51 -1.801 -0.549 -5.096 428 HD11 ILE 51 HD11 ILE 51 -2.093 2.083 -2.270 429 HD12 ILE 51 HD12 ILE 51 -3.454 1.088 -1.755 430 HD13 ILE 51 HD13 ILE 51 -3.094 1.277 -3.473 431 H ASP 52 H ASP 52 0.269 -1.996 -5.765 432 HA ASP 52 HA ASP 52 3.084 -1.893 -6.193 433 HB2 ASP 52 HB2 ASP 52 1.789 -3.502 -7.145 434 HB3 ASP 52 HB3 ASP 52 0.704 -2.353 -7.972 435 HA PRO 53 HA PRO 53 3.265 2.429 -7.012 436 HB2 PRO 53 HB2 PRO 53 5.627 2.447 -8.408 437 HB3 PRO 53 HB3 PRO 53 5.489 2.398 -6.650 438 HG2 PRO 53 HG2 PRO 53 5.957 0.165 -8.573 439 HG3 PRO 53 HG3 PRO 53 6.694 0.460 -6.986 440 HD2 PRO 53 HD2 PRO 53 4.739 -1.345 -7.330 441 HD3 PRO 53 HD3 PRO 53 4.868 -0.379 -5.843 442 H LYS 54 H LYS 54 3.175 0.143 -9.701 443 HA LYS 54 HA LYS 54 2.889 2.491 -11.338 444 HB2 LYS 54 HB2 LYS 54 3.315 1.078 -13.388 445 HB3 LYS 54 HB3 LYS 54 4.658 1.309 -12.301 446 HG2 LYS 54 HG2 LYS 54 4.716 -0.920 -13.103 447 HG3 LYS 54 HG3 LYS 54 4.219 -0.981 -11.418 448 HD2 LYS 54 HD2 LYS 54 1.903 -1.233 -12.114 449 HD3 LYS 54 HD3 LYS 54 2.394 -1.150 -13.806 450 HE2 LYS 54 HE2 LYS 54 3.752 -3.134 -13.539 451 HE3 LYS 54 HE3 LYS 54 3.335 -3.208 -11.830 452 HZ1 LYS 54 HZ1 LYS 54 2.042 -4.745 -13.140 453 HZ2 LYS 54 HZ2 LYS 54 1.432 -3.488 -14.091 454 HZ3 LYS 54 HZ3 LYS 54 1.042 -3.601 -12.432 455 H LEU 55 H LEU 55 0.737 1.131 -9.694 456 HA LEU 55 HA LEU 55 -1.362 0.661 -11.529 457 HB2 LEU 55 HB2 LEU 55 -1.155 1.568 -8.725 458 HB3 LEU 55 HB3 LEU 55 -2.686 1.766 -9.486 459 HG LEU 55 HG LEU 55 -1.273 -0.901 -9.076 460 HD11 LEU 55 HD11 LEU 55 -3.673 0.321 -7.718 461 HD12 LEU 55 HD12 LEU 55 -2.063 0.171 -7.012 462 HD13 LEU 55 HD13 LEU 55 -2.992 -1.277 -7.394 463 HD21 LEU 55 HD21 LEU 55 -3.458 -1.834 -9.672 464 HD22 LEU 55 HD22 LEU 55 -2.761 -0.939 -11.041 465 HD23 LEU 55 HD23 LEU 55 -4.047 -0.241 -10.042 466 H LYS 56 H LYS 56 -2.931 2.135 -12.261 467 HA LYS 56 HA LYS 56 -1.710 4.524 -13.196 468 HB2 LYS 56 HB2 LYS 56 -3.335 3.166 -14.541 469 HB3 LYS 56 HB3 LYS 56 -4.612 3.688 -13.471 470 HG2 LYS 56 HG2 LYS 56 -2.990 5.573 -15.186 471 HG3 LYS 56 HG3 LYS 56 -4.518 4.859 -15.684 472 HD2 LYS 56 HD2 LYS 56 -5.634 5.991 -13.793 473 HD3 LYS 56 HD3 LYS 56 -4.092 6.663 -13.297 474 HE2 LYS 56 HE2 LYS 56 -5.432 8.285 -14.551 475 HE3 LYS 56 HE3 LYS 56 -3.913 7.921 -15.355 476 HZ1 LYS 56 HZ1 LYS 56 -5.775 8.002 -16.880 477 HZ2 LYS 56 HZ2 LYS 56 -6.558 6.762 -16.084 478 HZ3 LYS 56 HZ3 LYS 56 -5.087 6.474 -16.877 479 H TRP 57 H TRP 57 -4.305 3.899 -10.836 480 HA TRP 57 HA TRP 57 -4.657 6.692 -10.396 481 HB2 TRP 57 HB2 TRP 57 -6.118 6.162 -8.535 482 HB3 TRP 57 HB3 TRP 57 -6.456 5.057 -9.843 483 HD1 TRP 57 HD1 TRP 57 -5.935 2.419 -9.375 484 HE1 TRP 57 HE1 TRP 57 -5.578 1.153 -7.242 485 HE3 TRP 57 HE3 TRP 57 -5.037 6.356 -6.219 486 HZ2 TRP 57 HZ2 TRP 57 -4.978 1.678 -4.537 487 HZ3 TRP 57 HZ3 TRP 57 -4.583 5.864 -3.856 488 HH2 TRP 57 HH2 TRP 57 -4.555 3.566 -3.033 489 H ILE 58 H ILE 58 -2.457 4.400 -9.273 490 HA ILE 58 HA ILE 58 -1.526 5.859 -7.028 491 HB ILE 58 HB ILE 58 -0.364 3.608 -8.654 492 HG12 ILE 58 HG12 ILE 58 -2.201 3.052 -7.155 493 HG13 ILE 58 HG13 ILE 58 -0.693 2.316 -6.615 494 HG21 ILE 58 HG21 ILE 58 1.430 3.406 -7.056 495 HG22 ILE 58 HG22 ILE 58 0.925 4.912 -6.278 496 HG23 ILE 58 HG23 ILE 58 1.525 4.928 -7.945 497 HD11 ILE 58 HD11 ILE 58 -0.452 4.081 -4.934 498 HD12 ILE 58 HD12 ILE 58 -1.953 3.183 -4.732 499 HD13 ILE 58 HD13 ILE 58 -1.977 4.790 -5.452 500 H GLN 59 H GLN 59 -0.459 5.537 -10.375 501 HA GLN 59 HA GLN 59 1.633 7.373 -10.315 502 HB2 GLN 59 HB2 GLN 59 -0.345 6.757 -12.511 503 HB3 GLN 59 HB3 GLN 59 1.091 7.744 -12.737 504 HG2 GLN 59 HG2 GLN 59 1.124 4.887 -11.806 505 HG3 GLN 59 HG3 GLN 59 1.344 5.379 -13.483 506 HE21 GLN 59 HE21 GLN 59 2.776 5.214 -10.333 507 HE22 GLN 59 HE22 GLN 59 4.359 5.692 -10.796 508 H GLU 60 H GLU 60 -1.839 7.906 -10.864 509 HA GLU 60 HA GLU 60 -1.913 10.618 -11.246 510 HB2 GLU 60 HB2 GLU 60 -3.653 8.780 -11.500 511 HB3 GLU 60 HB3 GLU 60 -3.872 8.849 -9.773 512 HG2 GLU 60 HG2 GLU 60 -4.344 11.116 -11.647 513 HG3 GLU 60 HG3 GLU 60 -5.582 9.959 -11.163 514 H TYR 61 H TYR 61 -2.031 8.726 -8.214 515 HA TYR 61 HA TYR 61 -2.222 10.942 -6.451 516 HB2 TYR 61 HB2 TYR 61 -2.919 8.675 -5.789 517 HB3 TYR 61 HB3 TYR 61 -1.252 8.126 -5.901 518 HD1 TYR 61 HD1 TYR 61 -3.348 10.645 -4.125 519 HD2 TYR 61 HD2 TYR 61 0.066 8.106 -3.962 520 HE1 TYR 61 HE1 TYR 61 -3.024 11.242 -1.760 521 HE2 TYR 61 HE2 TYR 61 0.396 8.694 -1.607 522 HH TYR 61 HH TYR 61 -1.987 10.326 0.213 523 H LEU 62 H LEU 62 0.546 9.053 -7.559 524 HA LEU 62 HA LEU 62 2.420 10.439 -5.969 525 HB2 LEU 62 HB2 LEU 62 2.700 8.611 -8.295 526 HB3 LEU 62 HB3 LEU 62 4.080 9.555 -7.789 527 HG LEU 62 HG LEU 62 3.997 8.503 -5.568 528 HD11 LEU 62 HD11 LEU 62 1.729 6.893 -6.662 529 HD12 LEU 62 HD12 LEU 62 1.637 8.100 -5.387 530 HD13 LEU 62 HD13 LEU 62 2.547 6.610 -5.118 531 HD21 LEU 62 HD21 LEU 62 5.344 7.533 -7.290 532 HD22 LEU 62 HD22 LEU 62 3.978 6.552 -7.839 533 HD23 LEU 62 HD23 LEU 62 4.684 6.280 -6.237 534 H GLU 63 H GLU 63 1.203 11.066 -9.166 535 HA GLU 63 HA GLU 63 3.184 13.077 -9.679 536 HB2 GLU 63 HB2 GLU 63 0.561 12.577 -11.086 537 HB3 GLU 63 HB3 GLU 63 1.775 13.731 -11.625 538 HG2 GLU 63 HG2 GLU 63 3.383 11.863 -11.814 539 HG3 GLU 63 HG3 GLU 63 2.075 10.755 -11.415 540 H LYS 64 H LYS 64 -0.097 13.038 -8.518 541 HA LYS 64 HA LYS 64 -0.661 15.696 -8.069 542 HB2 LYS 64 HB2 LYS 64 -2.238 14.039 -7.478 543 HB3 LYS 64 HB3 LYS 64 -1.089 13.205 -6.445 544 HG2 LYS 64 HG2 LYS 64 -2.511 14.216 -4.986 545 HG3 LYS 64 HG3 LYS 64 -1.108 15.207 -4.998 546 HD2 LYS 64 HD2 LYS 64 -2.100 16.838 -6.521 547 HD3 LYS 64 HD3 LYS 64 -3.579 15.879 -6.585 548 HE2 LYS 64 HE2 LYS 64 -3.919 16.224 -4.194 549 HE3 LYS 64 HE3 LYS 64 -2.430 17.164 -4.124 550 HZ1 LYS 64 HZ1 LYS 64 -4.820 17.884 -5.730 551 HZ2 LYS 64 HZ2 LYS 64 -3.397 18.774 -5.597 552 HZ3 LYS 64 HZ3 LYS 64 -4.377 18.577 -4.242 553 H ALA 65 H ALA 65 0.682 13.518 -5.725 554 HA ALA 65 HA ALA 65 1.655 15.390 -3.898 555 HB1 ALA 65 HB1 ALA 65 2.904 13.604 -2.865 556 HB2 ALA 65 HB2 ALA 65 2.765 12.626 -4.326 557 HB3 ALA 65 HB3 ALA 65 1.324 13.018 -3.387 558 H LEU 66 H LEU 66 3.355 14.095 -6.753 559 HA LEU 66 HA LEU 66 5.940 14.989 -6.119 560 HB2 LEU 66 HB2 LEU 66 5.153 13.327 -7.890 561 HB3 LEU 66 HB3 LEU 66 4.667 14.695 -8.846 562 HG LEU 66 HG LEU 66 7.472 14.051 -8.014 563 HD11 LEU 66 HD11 LEU 66 6.066 13.670 -10.663 564 HD12 LEU 66 HD12 LEU 66 6.600 12.394 -9.569 565 HD13 LEU 66 HD13 LEU 66 7.787 13.404 -10.394 566 HD21 LEU 66 HD21 LEU 66 7.215 16.444 -8.453 567 HD22 LEU 66 HD22 LEU 66 6.476 16.092 -10.015 568 HD23 LEU 66 HD23 LEU 66 8.173 15.695 -9.731 569 H ASN 67 H ASN 67 3.220 16.468 -7.847 570 HA ASN 67 HA ASN 67 4.721 18.860 -8.468 571 HB2 ASN 67 HB2 ASN 67 2.822 17.940 -9.872 572 HB3 ASN 67 HB3 ASN 67 1.722 18.441 -8.599 573 HD21 ASN 67 HD21 ASN 67 3.339 21.002 -8.171 574 HD22 ASN 67 HD22 ASN 67 2.898 21.987 -9.507 575 H LYS 68 H LYS 68 2.025 17.983 -6.387 576 HA LYS 68 HA LYS 68 1.074 18.852 -4.583 577 HB2 LYS 68 HB2 LYS 68 3.208 17.929 -3.699 578 HB3 LYS 68 HB3 LYS 68 3.928 19.519 -3.847 579 HG2 LYS 68 HG2 LYS 68 2.372 20.399 -2.207 580 HG3 LYS 68 HG3 LYS 68 1.584 18.820 -2.100 581 HD2 LYS 68 HD2 LYS 68 3.717 17.841 -1.336 582 HD3 LYS 68 HD3 LYS 68 4.444 19.450 -1.368 583 HE2 LYS 68 HE2 LYS 68 3.749 18.820 0.891 584 HE3 LYS 68 HE3 LYS 68 2.841 20.214 0.317 585 HZ1 LYS 68 HZ1 LYS 68 1.398 18.642 1.401 586 HZ2 LYS 68 HZ2 LYS 68 1.880 17.405 0.359 587 HZ3 LYS 68 HZ3 LYS 68 1.008 18.727 -0.232 Start of MODEL 6 1 H LYS 1 H LYS 1 7.652 -25.068 -4.163 2 HA LYS 1 HA LYS 1 8.044 -23.521 -5.898 3 HB2 LYS 1 HB2 LYS 1 6.614 -21.483 -6.086 4 HB3 LYS 1 HB3 LYS 1 5.623 -22.920 -6.315 5 HG2 LYS 1 HG2 LYS 1 4.802 -22.701 -4.081 6 HG3 LYS 1 HG3 LYS 1 5.871 -21.322 -3.810 7 HD2 LYS 1 HD2 LYS 1 4.748 -20.129 -5.657 8 HD3 LYS 1 HD3 LYS 1 3.642 -21.496 -5.834 9 HE2 LYS 1 HE2 LYS 1 2.940 -21.227 -3.564 10 HE3 LYS 1 HE3 LYS 1 4.055 -19.862 -3.380 11 HZ1 LYS 1 HZ1 LYS 1 1.705 -19.965 -5.214 12 HZ2 LYS 1 HZ2 LYS 1 2.772 -18.670 -5.074 13 HZ3 LYS 1 HZ3 LYS 1 1.789 -19.090 -3.767 14 HA PRO 2 HA PRO 2 10.247 -21.404 -2.651 15 HB2 PRO 2 HB2 PRO 2 10.925 -19.049 -3.926 16 HB3 PRO 2 HB3 PRO 2 11.806 -20.564 -4.144 17 HG2 PRO 2 HG2 PRO 2 9.736 -19.310 -5.890 18 HG3 PRO 2 HG3 PRO 2 11.209 -20.181 -6.347 19 HD2 PRO 2 HD2 PRO 2 8.755 -21.314 -6.449 20 HD3 PRO 2 HD3 PRO 2 10.218 -22.241 -6.087 21 H VAL 3 H VAL 3 9.145 -20.530 -0.994 22 HA VAL 3 HA VAL 3 6.821 -18.995 -1.512 23 HB VAL 3 HB VAL 3 6.582 -18.816 1.002 24 HG11 VAL 3 HG11 VAL 3 6.994 -21.582 -0.138 25 HG12 VAL 3 HG12 VAL 3 5.519 -20.619 -0.253 26 HG13 VAL 3 HG13 VAL 3 6.070 -21.206 1.315 27 HG21 VAL 3 HG21 VAL 3 8.958 -18.948 1.599 28 HG22 VAL 3 HG22 VAL 3 9.020 -20.604 0.992 29 HG23 VAL 3 HG23 VAL 3 8.031 -20.219 2.401 30 H SER 4 H SER 4 7.108 -17.178 -2.377 31 HA SER 4 HA SER 4 9.225 -15.417 -1.715 32 HB2 SER 4 HB2 SER 4 6.768 -14.963 -3.389 33 HB3 SER 4 HB3 SER 4 8.245 -14.004 -3.396 34 HG SER 4 HG SER 4 7.782 -16.574 -4.389 35 H LEU 5 H LEU 5 9.178 -14.383 0.159 36 HA LEU 5 HA LEU 5 6.766 -12.921 0.841 37 HB2 LEU 5 HB2 LEU 5 6.873 -15.008 2.195 38 HB3 LEU 5 HB3 LEU 5 8.448 -14.518 2.787 39 HG LEU 5 HG LEU 5 7.400 -12.567 3.882 40 HD11 LEU 5 HD11 LEU 5 5.487 -12.263 2.413 41 HD12 LEU 5 HD12 LEU 5 4.951 -12.487 4.078 42 HD13 LEU 5 HD13 LEU 5 4.828 -13.814 2.928 43 HD21 LEU 5 HD21 LEU 5 7.746 -14.631 5.135 44 HD22 LEU 5 HD22 LEU 5 6.177 -15.233 4.594 45 HD23 LEU 5 HD23 LEU 5 6.260 -13.825 5.651 46 H SER 6 H SER 6 7.294 -11.033 2.191 47 HA SER 6 HA SER 6 9.794 -9.992 1.374 48 HB2 SER 6 HB2 SER 6 8.761 -7.938 2.550 49 HB3 SER 6 HB3 SER 6 8.074 -8.484 1.025 50 HG SER 6 HG SER 6 7.051 -8.598 3.604 51 H TYR 7 H TYR 7 11.384 -10.838 2.498 52 HA TYR 7 HA TYR 7 11.365 -10.696 5.421 53 HB2 TYR 7 HB2 TYR 7 13.421 -11.931 3.566 54 HB3 TYR 7 HB3 TYR 7 13.440 -12.005 5.316 55 HD1 TYR 7 HD1 TYR 7 11.690 -13.335 6.498 56 HD2 TYR 7 HD2 TYR 7 12.131 -13.451 2.282 57 HE1 TYR 7 HE1 TYR 7 10.398 -15.422 6.427 58 HE2 TYR 7 HE2 TYR 7 10.839 -15.542 2.198 59 HH TYR 7 HH TYR 7 9.049 -16.675 4.835 60 H ARG 8 H ARG 8 13.363 -9.854 2.730 61 HA ARG 8 HA ARG 8 14.987 -8.055 4.336 62 HB2 ARG 8 HB2 ARG 8 16.310 -7.610 2.336 63 HB3 ARG 8 HB3 ARG 8 16.059 -9.344 2.518 64 HG2 ARG 8 HG2 ARG 8 14.374 -9.319 0.795 65 HG3 ARG 8 HG3 ARG 8 14.464 -7.565 0.685 66 HD2 ARG 8 HD2 ARG 8 16.654 -9.529 -0.001 67 HD3 ARG 8 HD3 ARG 8 15.675 -8.618 -1.150 68 HE ARG 8 HE ARG 8 17.588 -7.425 0.745 69 HH11 ARG 8 HH11 ARG 8 15.926 -7.313 -2.415 70 HH12 ARG 8 HH12 ARG 8 16.845 -5.995 -2.963 71 HH21 ARG 8 HH21 ARG 8 18.818 -5.652 -0.061 72 HH22 ARG 8 HH22 ARG 8 18.500 -5.022 -1.626 73 H CYS 9 H CYS 9 12.199 -7.811 2.640 74 HA CYS 9 HA CYS 9 12.437 -4.879 2.500 75 HB2 CYS 9 HB2 CYS 9 10.878 -6.578 0.527 76 HB3 CYS 9 HB3 CYS 9 11.077 -4.847 0.511 77 HA PRO 10 HA PRO 10 8.727 -4.605 4.978 78 HB2 PRO 10 HB2 PRO 10 7.986 -2.500 2.974 79 HB3 PRO 10 HB3 PRO 10 7.944 -2.436 4.742 80 HG2 PRO 10 HG2 PRO 10 9.903 -1.244 3.444 81 HG3 PRO 10 HG3 PRO 10 10.252 -2.173 4.912 82 HD2 PRO 10 HD2 PRO 10 10.705 -2.922 2.049 83 HD3 PRO 10 HD3 PRO 10 11.719 -3.226 3.477 84 H CYS 11 H CYS 11 8.316 -4.629 1.373 85 HA CYS 11 HA CYS 11 6.287 -6.660 1.700 86 HB2 CYS 11 HB2 CYS 11 5.047 -4.441 1.985 87 HB3 CYS 11 HB3 CYS 11 5.463 -4.097 0.311 88 H ARG 12 H ARG 12 5.938 -7.849 -0.197 89 HA ARG 12 HA ARG 12 7.227 -6.837 -2.615 90 HB2 ARG 12 HB2 ARG 12 8.047 -9.148 -3.225 91 HB3 ARG 12 HB3 ARG 12 8.857 -8.410 -1.869 92 HG2 ARG 12 HG2 ARG 12 8.544 -10.759 -1.440 93 HG3 ARG 12 HG3 ARG 12 7.529 -9.846 -0.337 94 HD2 ARG 12 HD2 ARG 12 6.361 -11.794 -1.184 95 HD3 ARG 12 HD3 ARG 12 5.588 -10.314 -1.749 96 HE ARG 12 HE ARG 12 7.360 -11.056 -3.724 97 HH11 ARG 12 HH11 ARG 12 4.549 -12.564 -2.148 98 HH12 ARG 12 HH12 ARG 12 4.072 -13.397 -3.550 99 HH21 ARG 12 HH21 ARG 12 6.650 -12.260 -5.651 100 HH22 ARG 12 HH22 ARG 12 5.267 -13.237 -5.522 101 H PHE 13 H PHE 13 4.430 -7.892 -1.304 102 HA PHE 13 HA PHE 13 3.390 -8.816 -3.859 103 HB2 PHE 13 HB2 PHE 13 1.460 -9.680 -2.482 104 HB3 PHE 13 HB3 PHE 13 2.991 -10.437 -2.075 105 HD1 PHE 13 HD1 PHE 13 4.085 -9.925 0.081 106 HD2 PHE 13 HD2 PHE 13 0.261 -8.307 -0.890 107 HE1 PHE 13 HE1 PHE 13 3.717 -9.347 2.445 108 HE2 PHE 13 HE2 PHE 13 -0.105 -7.736 1.461 109 HZ PHE 13 HZ PHE 13 1.613 -8.246 3.131 110 H PHE 14 H PHE 14 2.073 -7.396 -4.932 111 HA PHE 14 HA PHE 14 0.981 -5.141 -3.351 112 HB2 PHE 14 HB2 PHE 14 2.062 -4.906 -6.120 113 HB3 PHE 14 HB3 PHE 14 1.592 -3.615 -5.037 114 HD1 PHE 14 HD1 PHE 14 3.196 -3.683 -2.679 115 HD2 PHE 14 HD2 PHE 14 4.210 -5.115 -6.581 116 HE1 PHE 14 HE1 PHE 14 5.528 -3.426 -2.168 117 HE2 PHE 14 HE2 PHE 14 6.553 -4.867 -6.059 118 HZ PHE 14 HZ PHE 14 7.252 -4.017 -3.826 119 H GLU 15 H GLU 15 -1.025 -4.622 -3.824 120 HA GLU 15 HA GLU 15 -2.457 -6.261 -5.646 121 HB2 GLU 15 HB2 GLU 15 -3.116 -4.357 -3.491 122 HB3 GLU 15 HB3 GLU 15 -4.295 -4.495 -4.784 123 HG2 GLU 15 HG2 GLU 15 -4.707 -5.997 -2.828 124 HG3 GLU 15 HG3 GLU 15 -4.607 -6.782 -4.398 125 H SER 16 H SER 16 -3.364 -5.748 -7.488 126 HA SER 16 HA SER 16 -2.517 -3.216 -8.704 127 HB2 SER 16 HB2 SER 16 -3.048 -5.876 -10.024 128 HB3 SER 16 HB3 SER 16 -2.398 -4.429 -10.796 129 HG SER 16 HG SER 16 -1.066 -5.092 -8.564 130 H HIS 17 H HIS 17 -5.057 -4.299 -7.270 131 HA HIS 17 HA HIS 17 -6.874 -2.743 -8.944 132 HB2 HIS 17 HB2 HIS 17 -7.295 -5.132 -9.574 133 HB3 HIS 17 HB3 HIS 17 -7.609 -5.487 -7.880 134 HD1 HIS 17 HD1 HIS 17 -9.935 -5.143 -7.083 135 HD2 HIS 17 HD2 HIS 17 -9.243 -3.275 -10.723 136 HE1 HIS 17 HE1 HIS 17 -12.135 -4.230 -7.797 137 HE2 HIS 17 HE2 HIS 17 -11.614 -2.850 -9.812 138 H VAL 18 H VAL 18 -6.872 -1.120 -7.536 139 HA VAL 18 HA VAL 18 -8.011 -1.672 -4.902 140 HB VAL 18 HB VAL 18 -5.690 0.215 -5.361 141 HG11 VAL 18 HG11 VAL 18 -7.060 -0.638 -2.791 142 HG12 VAL 18 HG12 VAL 18 -7.155 0.945 -3.545 143 HG13 VAL 18 HG13 VAL 18 -5.625 0.380 -2.874 144 HG21 VAL 18 HG21 VAL 18 -4.311 -1.353 -4.034 145 HG22 VAL 18 HG22 VAL 18 -4.912 -2.099 -5.518 146 HG23 VAL 18 HG23 VAL 18 -5.672 -2.475 -3.974 147 H ALA 19 H ALA 19 -9.460 -0.083 -4.260 148 HA ALA 19 HA ALA 19 -9.938 2.058 -6.180 149 HB1 ALA 19 HB1 ALA 19 -11.663 0.980 -3.940 150 HB2 ALA 19 HB2 ALA 19 -11.847 0.603 -5.651 151 HB3 ALA 19 HB3 ALA 19 -12.127 2.246 -5.077 152 H ARG 20 H ARG 20 -9.502 4.106 -5.611 153 HA ARG 20 HA ARG 20 -8.107 4.610 -3.203 154 HB2 ARG 20 HB2 ARG 20 -7.690 5.826 -5.309 155 HB3 ARG 20 HB3 ARG 20 -9.267 6.582 -5.176 156 HG2 ARG 20 HG2 ARG 20 -8.574 7.768 -3.190 157 HG3 ARG 20 HG3 ARG 20 -7.021 6.919 -3.195 158 HD2 ARG 20 HD2 ARG 20 -6.523 7.834 -5.355 159 HD3 ARG 20 HD3 ARG 20 -8.043 8.737 -5.366 160 HE ARG 20 HE ARG 20 -6.508 9.380 -3.080 161 HH11 ARG 20 HH11 ARG 20 -6.625 9.892 -6.566 162 HH12 ARG 20 HH12 ARG 20 -5.758 11.355 -6.527 163 HH21 ARG 20 HH21 ARG 20 -5.320 11.392 -3.018 164 HH22 ARG 20 HH22 ARG 20 -5.026 12.253 -4.449 165 H ALA 21 H ALA 21 -11.384 4.649 -4.100 166 HA ALA 21 HA ALA 21 -12.339 6.289 -1.959 167 HB1 ALA 21 HB1 ALA 21 -13.798 4.277 -3.675 168 HB2 ALA 21 HB2 ALA 21 -13.639 6.000 -4.018 169 HB3 ALA 21 HB3 ALA 21 -14.552 5.458 -2.606 170 H ASN 22 H ASN 22 -11.078 3.106 -2.136 171 HA ASN 22 HA ASN 22 -12.548 2.244 0.265 172 HB2 ASN 22 HB2 ASN 22 -12.604 0.767 -1.755 173 HB3 ASN 22 HB3 ASN 22 -10.861 0.588 -1.591 174 HD21 ASN 22 HD21 ASN 22 -10.830 -1.490 -1.134 175 HD22 ASN 22 HD22 ASN 22 -11.501 -2.264 0.254 176 H VAL 23 H VAL 23 -9.666 3.729 -0.542 177 HA VAL 23 HA VAL 23 -8.249 2.240 1.502 178 HB VAL 23 HB VAL 23 -6.935 2.697 -0.500 179 HG11 VAL 23 HG11 VAL 23 -8.030 4.774 -1.214 180 HG12 VAL 23 HG12 VAL 23 -6.279 4.959 -1.140 181 HG13 VAL 23 HG13 VAL 23 -7.293 5.622 0.141 182 HG21 VAL 23 HG21 VAL 23 -4.986 3.679 0.548 183 HG22 VAL 23 HG22 VAL 23 -5.815 2.581 1.648 184 HG23 VAL 23 HG23 VAL 23 -5.998 4.323 1.840 185 H LYS 24 H LYS 24 -8.077 2.837 3.512 186 HA LYS 24 HA LYS 24 -9.136 5.429 4.212 187 HB2 LYS 24 HB2 LYS 24 -8.983 4.785 6.534 188 HB3 LYS 24 HB3 LYS 24 -9.884 3.583 5.616 189 HG2 LYS 24 HG2 LYS 24 -7.862 2.158 5.674 190 HG3 LYS 24 HG3 LYS 24 -7.073 3.381 6.674 191 HD2 LYS 24 HD2 LYS 24 -9.566 1.811 7.352 192 HD3 LYS 24 HD3 LYS 24 -7.986 1.654 8.112 193 HE2 LYS 24 HE2 LYS 24 -8.178 4.013 8.904 194 HE3 LYS 24 HE3 LYS 24 -9.774 4.084 8.197 195 HZ1 LYS 24 HZ1 LYS 24 -9.876 3.648 10.564 196 HZ2 LYS 24 HZ2 LYS 24 -9.010 2.236 10.403 197 HZ3 LYS 24 HZ3 LYS 24 -10.534 2.367 9.717 198 H HIS 25 H HIS 25 -6.026 3.774 4.407 199 HA HIS 25 HA HIS 25 -4.951 6.449 4.665 200 HB2 HIS 25 HB2 HIS 25 -3.195 5.811 6.239 201 HB3 HIS 25 HB3 HIS 25 -4.770 5.513 6.991 202 HD1 HIS 25 HD1 HIS 25 -2.724 4.446 8.490 203 HD2 HIS 25 HD2 HIS 25 -3.744 2.479 5.007 204 HE1 HIS 25 HE1 HIS 25 -1.724 2.164 8.699 205 HE2 HIS 25 HE2 HIS 25 -2.022 1.177 6.487 206 H LEU 26 H LEU 26 -3.286 6.957 3.448 207 HA LEU 26 HA LEU 26 -2.096 4.803 1.886 208 HB2 LEU 26 HB2 LEU 26 -2.565 7.701 1.227 209 HB3 LEU 26 HB3 LEU 26 -1.440 6.714 0.321 210 HG LEU 26 HG LEU 26 -4.396 6.121 0.579 211 HD11 LEU 26 HD11 LEU 26 -3.969 8.198 -0.669 212 HD12 LEU 26 HD12 LEU 26 -4.549 6.906 -1.716 213 HD13 LEU 26 HD13 LEU 26 -2.834 7.331 -1.707 214 HD21 LEU 26 HD21 LEU 26 -3.970 4.547 -1.210 215 HD22 LEU 26 HD22 LEU 26 -2.959 4.158 0.178 216 HD23 LEU 26 HD23 LEU 26 -2.261 4.976 -1.221 217 H LYS 27 H LYS 27 -0.071 4.427 2.090 218 HA LYS 27 HA LYS 27 1.715 6.437 3.186 219 HB2 LYS 27 HB2 LYS 27 0.961 5.104 5.074 220 HB3 LYS 27 HB3 LYS 27 1.256 3.626 4.230 221 HG2 LYS 27 HG2 LYS 27 3.650 4.041 4.268 222 HG3 LYS 27 HG3 LYS 27 3.378 5.595 5.060 223 HD2 LYS 27 HD2 LYS 27 4.015 3.826 6.663 224 HD3 LYS 27 HD3 LYS 27 2.409 4.492 6.975 225 HE2 LYS 27 HE2 LYS 27 1.368 2.556 5.921 226 HE3 LYS 27 HE3 LYS 27 2.954 1.908 5.495 227 HZ1 LYS 27 HZ1 LYS 27 3.425 1.694 7.854 228 HZ2 LYS 27 HZ2 LYS 27 2.042 0.849 7.434 229 HZ3 LYS 27 HZ3 LYS 27 1.902 2.309 8.246 230 H ILE 28 H ILE 28 3.424 6.487 1.800 231 HA ILE 28 HA ILE 28 3.966 4.010 0.359 232 HB ILE 28 HB ILE 28 4.515 6.840 -0.563 233 HG12 ILE 28 HG12 ILE 28 2.542 4.781 -1.525 234 HG13 ILE 28 HG13 ILE 28 2.139 6.283 -0.699 235 HG21 ILE 28 HG21 ILE 28 6.220 5.223 -1.330 236 HG22 ILE 28 HG22 ILE 28 5.218 5.781 -2.677 237 HG23 ILE 28 HG23 ILE 28 4.928 4.197 -1.964 238 HD11 ILE 28 HD11 ILE 28 3.336 5.976 -3.443 239 HD12 ILE 28 HD12 ILE 28 3.023 7.529 -2.650 240 HD13 ILE 28 HD13 ILE 28 1.688 6.447 -3.068 241 H LEU 29 H LEU 29 5.836 3.101 0.703 242 HA LEU 29 HA LEU 29 7.757 4.599 2.317 243 HB2 LEU 29 HB2 LEU 29 6.571 2.815 3.512 244 HB3 LEU 29 HB3 LEU 29 7.088 1.664 2.309 245 HG LEU 29 HG LEU 29 9.420 1.957 3.018 246 HD11 LEU 29 HD11 LEU 29 9.925 3.222 5.037 247 HD12 LEU 29 HD12 LEU 29 8.246 3.755 5.139 248 HD13 LEU 29 HD13 LEU 29 9.261 4.278 3.795 249 HD21 LEU 29 HD21 LEU 29 9.205 0.865 5.194 250 HD22 LEU 29 HD22 LEU 29 8.050 0.214 4.028 251 HD23 LEU 29 HD23 LEU 29 7.512 1.348 5.268 252 H ASN 30 H ASN 30 9.379 5.180 0.963 253 HA ASN 30 HA ASN 30 10.266 3.259 -1.021 254 HB2 ASN 30 HB2 ASN 30 11.873 4.968 -1.837 255 HB3 ASN 30 HB3 ASN 30 10.250 5.625 -1.767 256 HD21 ASN 30 HD21 ASN 30 9.828 7.306 -0.356 257 HD22 ASN 30 HD22 ASN 30 11.061 8.149 0.485 258 H THR 31 H THR 31 11.664 1.786 -0.601 259 HA THR 31 HA THR 31 13.181 2.013 1.855 260 HB THR 31 HB THR 31 12.498 -0.335 0.094 261 HG1 THR 31 HG1 THR 31 11.425 0.632 2.543 262 HG21 THR 31 HG21 THR 31 13.113 -1.689 1.997 263 HG22 THR 31 HG22 THR 31 13.666 -0.239 2.859 264 HG23 THR 31 HG23 THR 31 14.488 -0.772 1.368 265 HA PRO 32 HA PRO 32 16.815 2.972 -0.589 266 HB2 PRO 32 HB2 PRO 32 18.319 1.584 1.553 267 HB3 PRO 32 HB3 PRO 32 18.496 3.232 0.940 268 HG2 PRO 32 HG2 PRO 32 17.357 2.793 3.299 269 HG3 PRO 32 HG3 PRO 32 16.735 4.040 2.209 270 HD2 PRO 32 HD2 PRO 32 15.640 1.305 2.766 271 HD3 PRO 32 HD3 PRO 32 14.804 2.849 2.534 272 H ASN 33 H ASN 33 16.615 -0.303 0.737 273 HA ASN 33 HA ASN 33 18.312 -1.194 -1.496 274 HB2 ASN 33 HB2 ASN 33 17.786 -2.560 1.148 275 HB3 ASN 33 HB3 ASN 33 18.699 -3.284 -0.159 276 HD21 ASN 33 HD21 ASN 33 18.657 -0.821 2.255 277 HD22 ASN 33 HD22 ASN 33 20.349 -0.446 2.199 278 H CYS 34 H CYS 34 15.158 -0.903 -0.978 279 HA CYS 34 HA CYS 34 14.565 -3.323 -2.399 280 HB2 CYS 34 HB2 CYS 34 13.143 -2.159 -0.047 281 HB3 CYS 34 HB3 CYS 34 12.439 -3.341 -1.135 282 H ALA 35 H ALA 35 12.177 -3.105 -3.168 283 HA ALA 35 HA ALA 35 12.121 -0.925 -4.969 284 HB1 ALA 35 HB1 ALA 35 10.071 -1.920 -5.768 285 HB2 ALA 35 HB2 ALA 35 9.990 -2.938 -4.338 286 HB3 ALA 35 HB3 ALA 35 11.282 -3.185 -5.518 287 H LEU 36 H LEU 36 9.963 0.187 -5.255 288 HA LEU 36 HA LEU 36 9.457 1.740 -2.907 289 HB2 LEU 36 HB2 LEU 36 9.690 2.716 -5.181 290 HB3 LEU 36 HB3 LEU 36 8.304 1.814 -5.715 291 HG LEU 36 HG LEU 36 7.912 4.252 -5.396 292 HD11 LEU 36 HD11 LEU 36 6.017 2.761 -5.337 293 HD12 LEU 36 HD12 LEU 36 5.801 4.097 -4.208 294 HD13 LEU 36 HD13 LEU 36 6.255 2.498 -3.611 295 HD21 LEU 36 HD21 LEU 36 7.721 5.158 -3.148 296 HD22 LEU 36 HD22 LEU 36 9.357 4.604 -3.488 297 HD23 LEU 36 HD23 LEU 36 8.290 3.626 -2.476 298 H GLN 37 H GLN 37 8.176 0.838 -1.386 299 HA GLN 37 HA GLN 37 5.913 -0.783 -2.328 300 HB2 GLN 37 HB2 GLN 37 7.096 -0.599 0.434 301 HB3 GLN 37 HB3 GLN 37 5.722 -1.589 -0.010 302 HG2 GLN 37 HG2 GLN 37 7.085 -3.229 -0.605 303 HG3 GLN 37 HG3 GLN 37 7.806 -2.171 -1.817 304 HE21 GLN 37 HE21 GLN 37 8.814 -0.321 0.162 305 HE22 GLN 37 HE22 GLN 37 10.150 -1.083 0.900 306 H ILE 38 H ILE 38 3.952 -0.081 -2.273 307 HA ILE 38 HA ILE 38 3.301 2.341 -0.768 308 HB ILE 38 HB ILE 38 1.804 0.833 -2.908 309 HG12 ILE 38 HG12 ILE 38 3.276 3.457 -3.123 310 HG13 ILE 38 HG13 ILE 38 3.859 1.911 -3.729 311 HG21 ILE 38 HG21 ILE 38 0.250 2.003 -1.472 312 HG22 ILE 38 HG22 ILE 38 0.329 2.858 -3.013 313 HG23 ILE 38 HG23 ILE 38 1.169 3.493 -1.603 314 HD11 ILE 38 HD11 ILE 38 1.408 3.376 -4.644 315 HD12 ILE 38 HD12 ILE 38 1.967 1.817 -5.270 316 HD13 ILE 38 HD13 ILE 38 2.950 3.268 -5.498 317 H VAL 39 H VAL 39 1.949 2.149 0.976 318 HA VAL 39 HA VAL 39 0.695 -0.474 1.443 319 HB VAL 39 HB VAL 39 1.706 1.485 3.513 320 HG11 VAL 39 HG11 VAL 39 0.467 -1.253 3.888 321 HG12 VAL 39 HG12 VAL 39 -0.242 0.300 4.321 322 HG13 VAL 39 HG13 VAL 39 1.192 -0.271 5.158 323 HG21 VAL 39 HG21 VAL 39 3.555 0.358 2.402 324 HG22 VAL 39 HG22 VAL 39 2.812 -1.213 2.724 325 HG23 VAL 39 HG23 VAL 39 3.387 -0.217 4.062 326 H ALA 40 H ALA 40 -1.409 -0.477 1.803 327 HA ALA 40 HA ALA 40 -2.809 2.021 2.435 328 HB1 ALA 40 HB1 ALA 40 -2.885 1.750 0.031 329 HB2 ALA 40 HB2 ALA 40 -4.478 1.465 0.728 330 HB3 ALA 40 HB3 ALA 40 -3.485 0.101 0.220 331 H ARG 41 H ARG 41 -4.813 1.638 3.461 332 HA ARG 41 HA ARG 41 -5.314 -1.172 4.082 333 HB2 ARG 41 HB2 ARG 41 -4.371 0.248 6.168 334 HB3 ARG 41 HB3 ARG 41 -5.922 0.961 6.109 335 HG2 ARG 41 HG2 ARG 41 -7.112 -0.970 6.617 336 HG3 ARG 41 HG3 ARG 41 -5.758 -1.991 6.132 337 HD2 ARG 41 HD2 ARG 41 -6.066 -2.041 8.531 338 HD3 ARG 41 HD3 ARG 41 -4.515 -1.349 8.088 339 HE ARG 41 HE ARG 41 -6.028 0.838 8.464 340 HH11 ARG 41 HH11 ARG 41 -5.553 -2.077 10.428 341 HH12 ARG 41 HH12 ARG 41 -5.804 -1.281 11.903 342 HH21 ARG 41 HH21 ARG 41 -6.369 1.926 10.561 343 HH22 ARG 41 HH22 ARG 41 -6.282 0.998 11.971 344 H LEU 42 H LEU 42 -7.260 -1.827 3.770 345 HA LEU 42 HA LEU 42 -9.000 -0.106 2.297 346 HB2 LEU 42 HB2 LEU 42 -9.551 -2.922 3.255 347 HB3 LEU 42 HB3 LEU 42 -10.413 -2.075 2.019 348 HG LEU 42 HG LEU 42 -7.565 -3.030 1.882 349 HD11 LEU 42 HD11 LEU 42 -8.382 -4.481 0.102 350 HD12 LEU 42 HD12 LEU 42 -10.022 -3.909 0.404 351 HD13 LEU 42 HD13 LEU 42 -9.156 -4.808 1.652 352 HD21 LEU 42 HD21 LEU 42 -7.574 -2.255 -0.452 353 HD22 LEU 42 HD22 LEU 42 -7.738 -0.923 0.694 354 HD23 LEU 42 HD23 LEU 42 -9.150 -1.509 -0.186 355 H LYS 43 H LYS 43 -10.854 0.800 2.829 356 HA LYS 43 HA LYS 43 -11.409 1.481 5.495 357 HB2 LYS 43 HB2 LYS 43 -12.977 1.846 2.949 358 HB3 LYS 43 HB3 LYS 43 -13.417 2.561 4.494 359 HG2 LYS 43 HG2 LYS 43 -11.506 3.914 4.530 360 HG3 LYS 43 HG3 LYS 43 -10.751 3.031 3.198 361 HD2 LYS 43 HD2 LYS 43 -11.630 5.211 2.503 362 HD3 LYS 43 HD3 LYS 43 -12.448 3.888 1.677 363 HE2 LYS 43 HE2 LYS 43 -14.292 4.070 3.250 364 HE3 LYS 43 HE3 LYS 43 -13.447 5.391 4.060 365 HZ1 LYS 43 HZ1 LYS 43 -15.144 6.183 2.506 366 HZ2 LYS 43 HZ2 LYS 43 -14.362 5.407 1.229 367 HZ3 LYS 43 HZ3 LYS 43 -13.608 6.694 2.028 368 H ASN 44 H ASN 44 -13.301 -0.426 3.155 369 HA ASN 44 HA ASN 44 -15.182 -1.085 5.227 370 HB2 ASN 44 HB2 ASN 44 -15.926 -0.696 2.909 371 HB3 ASN 44 HB3 ASN 44 -15.042 -2.122 2.389 372 HD21 ASN 44 HD21 ASN 44 -16.919 -3.108 1.634 373 HD22 ASN 44 HD22 ASN 44 -18.120 -3.742 2.692 374 H ASN 45 H ASN 45 -12.562 -2.770 3.612 375 HA ASN 45 HA ASN 45 -13.353 -5.161 5.078 376 HB2 ASN 45 HB2 ASN 45 -12.926 -5.423 2.658 377 HB3 ASN 45 HB3 ASN 45 -11.240 -5.002 2.918 378 HD21 ASN 45 HD21 ASN 45 -9.858 -6.590 3.618 379 HD22 ASN 45 HD22 ASN 45 -10.364 -8.222 3.896 380 H ASN 46 H ASN 46 -10.942 -2.711 5.332 381 HA ASN 46 HA ASN 46 -9.409 -2.233 6.974 382 HB2 ASN 46 HB2 ASN 46 -11.137 -2.943 8.589 383 HB3 ASN 46 HB3 ASN 46 -10.692 -4.622 8.381 384 HD21 ASN 46 HD21 ASN 46 -8.880 -5.406 9.470 385 HD22 ASN 46 HD22 ASN 46 -8.063 -4.510 10.696 386 H ARG 47 H ARG 47 -9.002 -4.742 4.970 387 HA ARG 47 HA ARG 47 -6.619 -5.719 6.220 388 HB2 ARG 47 HB2 ARG 47 -7.634 -6.033 3.446 389 HB3 ARG 47 HB3 ARG 47 -6.025 -6.544 3.905 390 HG2 ARG 47 HG2 ARG 47 -7.044 -8.029 5.588 391 HG3 ARG 47 HG3 ARG 47 -8.636 -7.575 4.951 392 HD2 ARG 47 HD2 ARG 47 -7.957 -9.569 3.782 393 HD3 ARG 47 HD3 ARG 47 -7.849 -8.093 2.788 394 HE ARG 47 HE ARG 47 -5.422 -9.011 4.063 395 HH11 ARG 47 HH11 ARG 47 -7.277 -8.585 1.062 396 HH12 ARG 47 HH12 ARG 47 -5.939 -8.712 0.034 397 HH21 ARG 47 HH21 ARG 47 -3.556 -9.157 2.623 398 HH22 ARG 47 HH22 ARG 47 -3.766 -9.041 0.933 399 H GLN 48 H GLN 48 -4.573 -5.413 5.644 400 HA GLN 48 HA GLN 48 -4.047 -2.814 4.533 401 HB2 GLN 48 HB2 GLN 48 -3.201 -3.174 6.765 402 HB3 GLN 48 HB3 GLN 48 -2.425 -4.690 6.277 403 HG2 GLN 48 HG2 GLN 48 -1.046 -3.363 4.800 404 HG3 GLN 48 HG3 GLN 48 -1.923 -1.957 5.411 405 HE21 GLN 48 HE21 GLN 48 0.984 -2.760 5.646 406 HE22 GLN 48 HE22 GLN 48 1.330 -2.674 7.328 407 H VAL 49 H VAL 49 -3.368 -2.842 2.528 408 HA VAL 49 HA VAL 49 -2.102 -5.271 1.506 409 HB VAL 49 HB VAL 49 -3.187 -4.889 -0.678 410 HG11 VAL 49 HG11 VAL 49 -5.470 -5.562 -0.093 411 HG12 VAL 49 HG12 VAL 49 -5.167 -5.104 1.582 412 HG13 VAL 49 HG13 VAL 49 -4.261 -6.427 0.854 413 HG21 VAL 49 HG21 VAL 49 -3.538 -2.473 -0.545 414 HG22 VAL 49 HG22 VAL 49 -4.731 -2.702 0.729 415 HG23 VAL 49 HG23 VAL 49 -5.059 -3.295 -0.899 416 H CYS 50 H CYS 50 -0.568 -4.908 -0.111 417 HA CYS 50 HA CYS 50 0.533 -2.228 -0.027 418 HB2 CYS 50 HB2 CYS 50 1.709 -4.663 -1.394 419 HB3 CYS 50 HB3 CYS 50 2.479 -3.150 -0.961 420 H ILE 51 H ILE 51 0.961 -1.167 -2.015 421 HA ILE 51 HA ILE 51 -0.864 -2.073 -4.110 422 HB ILE 51 HB ILE 51 -0.203 0.799 -3.403 423 HG12 ILE 51 HG12 ILE 51 -2.627 -0.918 -2.931 424 HG13 ILE 51 HG13 ILE 51 -1.603 -0.163 -1.743 425 HG21 ILE 51 HG21 ILE 51 -0.609 0.500 -5.791 426 HG22 ILE 51 HG22 ILE 51 -1.952 1.362 -5.021 427 HG23 ILE 51 HG23 ILE 51 -2.105 -0.357 -5.414 428 HD11 ILE 51 HD11 ILE 51 -2.303 2.064 -2.435 429 HD12 ILE 51 HD12 ILE 51 -3.695 1.082 -1.969 430 HD13 ILE 51 HD13 ILE 51 -3.343 1.358 -3.673 431 H ASP 52 H ASP 52 -0.279 -1.952 -6.171 432 HA ASP 52 HA ASP 52 2.535 -2.024 -6.736 433 HB2 ASP 52 HB2 ASP 52 1.028 -3.615 -7.602 434 HB3 ASP 52 HB3 ASP 52 0.100 -2.366 -8.484 435 HA PRO 53 HA PRO 53 2.793 2.251 -7.802 436 HB2 PRO 53 HB2 PRO 53 5.049 2.150 -9.338 437 HB3 PRO 53 HB3 PRO 53 5.052 2.110 -7.574 438 HG2 PRO 53 HG2 PRO 53 5.236 -0.158 -9.518 439 HG3 PRO 53 HG3 PRO 53 6.166 0.123 -8.032 440 HD2 PRO 53 HD2 PRO 53 4.115 -1.594 -8.097 441 HD3 PRO 53 HD3 PRO 53 4.438 -0.594 -6.664 442 H LYS 54 H LYS 54 2.327 -0.211 -10.210 443 HA LYS 54 HA LYS 54 2.372 1.705 -12.382 444 HB2 LYS 54 HB2 LYS 54 1.741 -1.235 -12.434 445 HB3 LYS 54 HB3 LYS 54 1.912 -0.207 -13.849 446 HG2 LYS 54 HG2 LYS 54 4.260 0.213 -13.216 447 HG3 LYS 54 HG3 LYS 54 4.060 -0.890 -11.854 448 HD2 LYS 54 HD2 LYS 54 3.764 -1.597 -14.772 449 HD3 LYS 54 HD3 LYS 54 5.135 -2.005 -13.752 450 HE2 LYS 54 HE2 LYS 54 2.295 -2.987 -13.462 451 HE3 LYS 54 HE3 LYS 54 3.680 -3.921 -14.012 452 HZ1 LYS 54 HZ1 LYS 54 3.238 -2.834 -11.279 453 HZ2 LYS 54 HZ2 LYS 54 4.670 -3.579 -11.770 454 HZ3 LYS 54 HZ3 LYS 54 3.228 -4.445 -11.746 455 H LEU 55 H LEU 55 0.076 1.033 -10.089 456 HA LEU 55 HA LEU 55 -2.204 0.817 -11.702 457 HB2 LEU 55 HB2 LEU 55 -1.665 1.632 -8.922 458 HB3 LEU 55 HB3 LEU 55 -3.238 1.964 -9.556 459 HG LEU 55 HG LEU 55 -1.980 -0.783 -9.343 460 HD11 LEU 55 HD11 LEU 55 -4.243 0.513 -7.819 461 HD12 LEU 55 HD12 LEU 55 -2.613 0.251 -7.200 462 HD13 LEU 55 HD13 LEU 55 -3.632 -1.134 -7.597 463 HD21 LEU 55 HD21 LEU 55 -4.201 -1.570 -9.944 464 HD22 LEU 55 HD22 LEU 55 -3.526 -0.585 -11.245 465 HD23 LEU 55 HD23 LEU 55 -4.743 0.084 -10.146 466 H LYS 56 H LYS 56 -3.719 2.339 -12.254 467 HA LYS 56 HA LYS 56 -2.512 4.534 -13.527 468 HB2 LYS 56 HB2 LYS 56 -5.439 3.935 -13.172 469 HB3 LYS 56 HB3 LYS 56 -4.770 5.187 -14.198 470 HG2 LYS 56 HG2 LYS 56 -3.619 3.511 -15.534 471 HG3 LYS 56 HG3 LYS 56 -4.267 2.234 -14.497 472 HD2 LYS 56 HD2 LYS 56 -5.566 2.471 -16.567 473 HD3 LYS 56 HD3 LYS 56 -6.531 2.844 -15.140 474 HE2 LYS 56 HE2 LYS 56 -6.201 5.237 -15.528 475 HE3 LYS 56 HE3 LYS 56 -5.195 4.883 -16.929 476 HZ1 LYS 56 HZ1 LYS 56 -8.055 4.158 -16.642 477 HZ2 LYS 56 HZ2 LYS 56 -7.101 3.934 -18.019 478 HZ3 LYS 56 HZ3 LYS 56 -7.457 5.491 -17.490 479 H TRP 57 H TRP 57 -4.723 4.394 -10.773 480 HA TRP 57 HA TRP 57 -4.663 7.228 -10.518 481 HB2 TRP 57 HB2 TRP 57 -5.887 6.977 -8.429 482 HB3 TRP 57 HB3 TRP 57 -6.605 5.996 -9.679 483 HD1 TRP 57 HD1 TRP 57 -6.291 3.207 -9.340 484 HE1 TRP 57 HE1 TRP 57 -6.062 1.889 -7.195 485 HE3 TRP 57 HE3 TRP 57 -4.878 6.984 -6.186 486 HZ2 TRP 57 HZ2 TRP 57 -5.390 2.321 -4.522 487 HZ3 TRP 57 HZ3 TRP 57 -4.474 6.432 -3.831 488 HH2 TRP 57 HH2 TRP 57 -4.735 4.154 -3.012 489 H ILE 58 H ILE 58 -2.687 4.716 -9.507 490 HA ILE 58 HA ILE 58 -1.322 6.094 -7.424 491 HB ILE 58 HB ILE 58 -0.644 3.636 -9.033 492 HG12 ILE 58 HG12 ILE 58 -2.508 3.360 -7.496 493 HG13 ILE 58 HG13 ILE 58 -1.114 2.436 -6.958 494 HG21 ILE 58 HG21 ILE 58 1.116 3.184 -7.416 495 HG22 ILE 58 HG22 ILE 58 0.896 4.793 -6.731 496 HG23 ILE 58 HG23 ILE 58 1.446 4.619 -8.399 497 HD11 ILE 58 HD11 ILE 58 -0.604 4.162 -5.315 498 HD12 ILE 58 HD12 ILE 58 -2.219 3.486 -5.094 499 HD13 ILE 58 HD13 ILE 58 -2.027 5.076 -5.825 500 H GLN 59 H GLN 59 -0.635 5.447 -10.842 501 HA GLN 59 HA GLN 59 1.778 6.780 -11.164 502 HB2 GLN 59 HB2 GLN 59 -0.631 6.753 -12.929 503 HB3 GLN 59 HB3 GLN 59 0.934 7.400 -13.409 504 HG2 GLN 59 HG2 GLN 59 0.484 4.527 -12.586 505 HG3 GLN 59 HG3 GLN 59 0.426 5.077 -14.258 506 HE21 GLN 59 HE21 GLN 59 2.488 4.386 -11.537 507 HE22 GLN 59 HE22 GLN 59 3.964 4.523 -12.389 508 H GLU 60 H GLU 60 -1.486 8.110 -11.408 509 HA GLU 60 HA GLU 60 -0.698 10.794 -11.720 510 HB2 GLU 60 HB2 GLU 60 -3.307 9.635 -10.763 511 HB3 GLU 60 HB3 GLU 60 -3.069 11.317 -11.218 512 HG2 GLU 60 HG2 GLU 60 -2.509 10.602 -13.495 513 HG3 GLU 60 HG3 GLU 60 -2.762 8.927 -13.019 514 H TYR 61 H TYR 61 -1.449 8.845 -8.886 515 HA TYR 61 HA TYR 61 -1.554 10.954 -7.023 516 HB2 TYR 61 HB2 TYR 61 -2.417 8.696 -6.504 517 HB3 TYR 61 HB3 TYR 61 -0.779 8.066 -6.572 518 HD1 TYR 61 HD1 TYR 61 -2.878 10.532 -4.732 519 HD2 TYR 61 HD2 TYR 61 0.491 7.945 -4.617 520 HE1 TYR 61 HE1 TYR 61 -2.613 10.989 -2.327 521 HE2 TYR 61 HE2 TYR 61 0.767 8.394 -2.221 522 HH TYR 61 HH TYR 61 -1.634 9.944 -0.396 523 H LEU 62 H LEU 62 1.136 8.868 -8.060 524 HA LEU 62 HA LEU 62 2.987 10.185 -6.348 525 HB2 LEU 62 HB2 LEU 62 3.384 8.336 -8.679 526 HB3 LEU 62 HB3 LEU 62 4.741 9.155 -7.943 527 HG LEU 62 HG LEU 62 4.200 8.038 -5.777 528 HD11 LEU 62 HD11 LEU 62 2.174 6.534 -7.359 529 HD12 LEU 62 HD12 LEU 62 1.855 7.703 -6.087 530 HD13 LEU 62 HD13 LEU 62 2.675 6.183 -5.700 531 HD21 LEU 62 HD21 LEU 62 5.840 7.122 -7.270 532 HD22 LEU 62 HD22 LEU 62 4.588 6.201 -8.108 533 HD23 LEU 62 HD23 LEU 62 4.966 5.839 -6.419 534 H GLU 63 H GLU 63 1.930 10.692 -9.640 535 HA GLU 63 HA GLU 63 3.833 12.517 -10.463 536 HB2 GLU 63 HB2 GLU 63 2.218 11.434 -11.926 537 HB3 GLU 63 HB3 GLU 63 0.906 12.274 -11.116 538 HG2 GLU 63 HG2 GLU 63 1.753 14.375 -11.884 539 HG3 GLU 63 HG3 GLU 63 3.105 13.552 -12.672 540 H LYS 64 H LYS 64 0.684 13.026 -8.863 541 HA LYS 64 HA LYS 64 1.187 15.818 -8.657 542 HB2 LYS 64 HB2 LYS 64 -0.902 15.993 -7.493 543 HB3 LYS 64 HB3 LYS 64 -1.027 15.086 -8.991 544 HG2 LYS 64 HG2 LYS 64 -1.047 13.009 -7.693 545 HG3 LYS 64 HG3 LYS 64 -1.003 13.972 -6.205 546 HD2 LYS 64 HD2 LYS 64 -3.301 13.487 -6.606 547 HD3 LYS 64 HD3 LYS 64 -2.911 15.176 -7.043 548 HE2 LYS 64 HE2 LYS 64 -2.863 14.646 -9.397 549 HE3 LYS 64 HE3 LYS 64 -3.105 12.935 -9.061 550 HZ1 LYS 64 HZ1 LYS 64 -5.134 13.978 -9.788 551 HZ2 LYS 64 HZ2 LYS 64 -5.043 15.125 -8.566 552 HZ3 LYS 64 HZ3 LYS 64 -5.313 13.501 -8.197 553 H ALA 65 H ALA 65 1.911 13.123 -6.674 554 HA ALA 65 HA ALA 65 2.299 14.585 -4.254 555 HB1 ALA 65 HB1 ALA 65 3.605 12.641 -3.512 556 HB2 ALA 65 HB2 ALA 65 3.614 12.013 -5.160 557 HB3 ALA 65 HB3 ALA 65 2.097 12.120 -4.272 558 H LEU 66 H LEU 66 4.218 13.894 -7.075 559 HA LEU 66 HA LEU 66 6.580 15.173 -6.044 560 HB2 LEU 66 HB2 LEU 66 5.823 14.427 -8.869 561 HB3 LEU 66 HB3 LEU 66 7.405 14.965 -8.361 562 HG LEU 66 HG LEU 66 6.073 12.411 -7.441 563 HD11 LEU 66 HD11 LEU 66 6.646 12.328 -9.786 564 HD12 LEU 66 HD12 LEU 66 7.725 11.294 -8.850 565 HD13 LEU 66 HD13 LEU 66 8.283 12.869 -9.421 566 HD21 LEU 66 HD21 LEU 66 7.618 13.305 -5.780 567 HD22 LEU 66 HD22 LEU 66 8.875 13.458 -7.010 568 HD23 LEU 66 HD23 LEU 66 8.284 11.864 -6.540 569 H ASN 67 H ASN 67 3.836 16.034 -8.012 570 HA ASN 67 HA ASN 67 4.679 18.582 -8.919 571 HB2 ASN 67 HB2 ASN 67 2.729 17.354 -9.871 572 HB3 ASN 67 HB3 ASN 67 1.892 17.594 -8.342 573 HD21 ASN 67 HD21 ASN 67 3.874 20.055 -9.932 574 HD22 ASN 67 HD22 ASN 67 2.563 21.107 -10.281 575 H LYS 68 H LYS 68 2.700 17.598 -6.134 576 HA LYS 68 HA LYS 68 3.202 20.228 -4.981 577 HB2 LYS 68 HB2 LYS 68 0.851 19.877 -5.488 578 HB3 LYS 68 HB3 LYS 68 0.849 18.364 -4.598 579 HG2 LYS 68 HG2 LYS 68 1.385 19.618 -2.542 580 HG3 LYS 68 HG3 LYS 68 1.272 21.116 -3.467 581 HD2 LYS 68 HD2 LYS 68 -1.055 20.662 -3.964 582 HD3 LYS 68 HD3 LYS 68 -0.951 19.110 -3.130 583 HE2 LYS 68 HE2 LYS 68 -0.580 21.833 -1.892 584 HE3 LYS 68 HE3 LYS 68 -1.991 20.790 -1.710 585 HZ1 LYS 68 HZ1 LYS 68 -0.573 19.148 -0.603 586 HZ2 LYS 68 HZ2 LYS 68 -0.520 20.634 0.186 587 HZ3 LYS 68 HZ3 LYS 68 0.765 20.151 -0.779 Start of MODEL 7 1 H LYS 1 H LYS 1 21.609 -17.861 12.032 2 HA LYS 1 HA LYS 1 22.453 -19.747 9.927 3 HB2 LYS 1 HB2 LYS 1 20.105 -17.847 10.069 4 HB3 LYS 1 HB3 LYS 1 20.529 -18.826 8.675 5 HG2 LYS 1 HG2 LYS 1 20.070 -20.858 9.981 6 HG3 LYS 1 HG3 LYS 1 19.631 -19.859 11.366 7 HD2 LYS 1 HD2 LYS 1 18.256 -19.855 8.676 8 HD3 LYS 1 HD3 LYS 1 17.652 -20.655 10.128 9 HE2 LYS 1 HE2 LYS 1 17.550 -18.446 11.240 10 HE3 LYS 1 HE3 LYS 1 18.098 -17.699 9.737 11 HZ1 LYS 1 HZ1 LYS 1 15.562 -19.187 10.135 12 HZ2 LYS 1 HZ2 LYS 1 16.071 -18.529 8.661 13 HZ3 LYS 1 HZ3 LYS 1 15.738 -17.520 9.955 14 HA PRO 2 HA PRO 2 24.515 -15.905 8.772 15 HB2 PRO 2 HB2 PRO 2 26.520 -17.233 7.349 16 HB3 PRO 2 HB3 PRO 2 26.630 -16.734 9.036 17 HG2 PRO 2 HG2 PRO 2 26.528 -19.402 8.034 18 HG3 PRO 2 HG3 PRO 2 26.530 -18.883 9.724 19 HD2 PRO 2 HD2 PRO 2 24.267 -19.725 8.010 20 HD3 PRO 2 HD3 PRO 2 24.434 -19.766 9.780 21 H VAL 3 H VAL 3 22.861 -15.300 7.325 22 HA VAL 3 HA VAL 3 23.015 -16.535 4.669 23 HB VAL 3 HB VAL 3 20.677 -15.887 4.302 24 HG11 VAL 3 HG11 VAL 3 21.115 -18.084 5.199 25 HG12 VAL 3 HG12 VAL 3 19.618 -17.443 5.877 26 HG13 VAL 3 HG13 VAL 3 21.095 -17.446 6.842 27 HG21 VAL 3 HG21 VAL 3 20.709 -14.931 7.172 28 HG22 VAL 3 HG22 VAL 3 19.283 -15.035 6.138 29 HG23 VAL 3 HG23 VAL 3 20.578 -13.902 5.745 30 H SER 4 H SER 4 24.202 -13.987 6.143 31 HA SER 4 HA SER 4 24.918 -11.930 5.566 32 HB2 SER 4 HB2 SER 4 25.532 -13.043 3.368 33 HB3 SER 4 HB3 SER 4 23.927 -12.666 2.764 34 HG SER 4 HG SER 4 25.008 -11.044 2.030 35 H LEU 5 H LEU 5 23.668 -10.018 3.849 36 HA LEU 5 HA LEU 5 21.253 -9.609 5.414 37 HB2 LEU 5 HB2 LEU 5 22.946 -7.756 4.887 38 HB3 LEU 5 HB3 LEU 5 22.375 -7.805 3.242 39 HG LEU 5 HG LEU 5 20.734 -6.971 5.660 40 HD11 LEU 5 HD11 LEU 5 21.939 -5.339 3.456 41 HD12 LEU 5 HD12 LEU 5 22.468 -5.386 5.130 42 HD13 LEU 5 HD13 LEU 5 20.877 -4.728 4.724 43 HD21 LEU 5 HD21 LEU 5 19.060 -6.175 4.059 44 HD22 LEU 5 HD22 LEU 5 19.298 -7.912 3.887 45 HD23 LEU 5 HD23 LEU 5 20.019 -6.805 2.722 46 H SER 6 H SER 6 19.967 -11.265 4.628 47 HA SER 6 HA SER 6 19.432 -11.566 1.865 48 HB2 SER 6 HB2 SER 6 17.542 -13.040 2.618 49 HB3 SER 6 HB3 SER 6 19.096 -13.481 3.317 50 HG SER 6 HG SER 6 17.967 -11.744 4.963 51 H TYR 7 H TYR 7 17.378 -11.102 0.791 52 HA TYR 7 HA TYR 7 16.687 -8.460 1.572 53 HB2 TYR 7 HB2 TYR 7 15.991 -9.942 -0.946 54 HB3 TYR 7 HB3 TYR 7 15.438 -8.306 -0.587 55 HD1 TYR 7 HD1 TYR 7 17.316 -6.642 0.132 56 HD2 TYR 7 HD2 TYR 7 18.005 -10.192 -2.101 57 HE1 TYR 7 HE1 TYR 7 19.436 -5.721 -0.654 58 HE2 TYR 7 HE2 TYR 7 20.149 -9.268 -2.896 59 HH TYR 7 HH TYR 7 21.535 -6.584 -1.439 60 H ARG 8 H ARG 8 15.669 -8.870 3.412 61 HA ARG 8 HA ARG 8 12.905 -9.647 3.063 62 HB2 ARG 8 HB2 ARG 8 12.674 -9.472 5.516 63 HB3 ARG 8 HB3 ARG 8 13.959 -10.577 5.070 64 HG2 ARG 8 HG2 ARG 8 15.604 -8.825 5.567 65 HG3 ARG 8 HG3 ARG 8 14.262 -7.756 6.001 66 HD2 ARG 8 HD2 ARG 8 13.593 -9.279 7.788 67 HD3 ARG 8 HD3 ARG 8 14.883 -10.386 7.337 68 HE ARG 8 HE ARG 8 15.990 -7.885 7.908 69 HH11 ARG 8 HH11 ARG 8 14.414 -10.581 9.581 70 HH12 ARG 8 HH12 ARG 8 15.194 -10.303 11.068 71 HH21 ARG 8 HH21 ARG 8 17.094 -7.527 9.969 72 HH22 ARG 8 HH22 ARG 8 16.757 -8.535 11.290 73 H CYS 9 H CYS 9 11.628 -8.226 2.527 74 HA CYS 9 HA CYS 9 12.317 -5.385 2.863 75 HB2 CYS 9 HB2 CYS 9 10.699 -6.720 0.694 76 HB3 CYS 9 HB3 CYS 9 11.150 -5.019 0.765 77 HA PRO 10 HA PRO 10 8.752 -4.492 5.340 78 HB2 PRO 10 HB2 PRO 10 8.220 -2.539 3.132 79 HB3 PRO 10 HB3 PRO 10 8.110 -2.298 4.882 80 HG2 PRO 10 HG2 PRO 10 10.248 -1.440 3.571 81 HG3 PRO 10 HG3 PRO 10 10.420 -2.226 5.150 82 HD2 PRO 10 HD2 PRO 10 11.068 -3.255 2.443 83 HD3 PRO 10 HD3 PRO 10 11.806 -3.644 4.011 84 H CYS 11 H CYS 11 8.152 -4.692 1.800 85 HA CYS 11 HA CYS 11 5.932 -6.422 2.482 86 HB2 CYS 11 HB2 CYS 11 4.973 -4.112 2.083 87 HB3 CYS 11 HB3 CYS 11 5.575 -4.207 0.433 88 H ARG 12 H ARG 12 5.420 -7.926 0.868 89 HA ARG 12 HA ARG 12 7.687 -8.468 -0.873 90 HB2 ARG 12 HB2 ARG 12 5.355 -10.236 -0.105 91 HB3 ARG 12 HB3 ARG 12 6.748 -10.716 -1.052 92 HG2 ARG 12 HG2 ARG 12 8.209 -10.396 0.856 93 HG3 ARG 12 HG3 ARG 12 6.857 -9.795 1.816 94 HD2 ARG 12 HD2 ARG 12 5.719 -11.933 1.588 95 HD3 ARG 12 HD3 ARG 12 7.035 -12.542 0.591 96 HE ARG 12 HE ARG 12 8.409 -12.032 2.718 97 HH11 ARG 12 HH11 ARG 12 5.073 -13.214 2.701 98 HH12 ARG 12 HH12 ARG 12 5.252 -14.184 4.079 99 HH21 ARG 12 HH21 ARG 12 8.651 -13.369 4.646 100 HH22 ARG 12 HH22 ARG 12 7.330 -14.266 5.230 101 H PHE 13 H PHE 13 4.123 -8.742 -1.066 102 HA PHE 13 HA PHE 13 4.345 -8.145 -3.933 103 HB2 PHE 13 HB2 PHE 13 2.372 -9.943 -2.528 104 HB3 PHE 13 HB3 PHE 13 2.220 -9.458 -4.211 105 HD1 PHE 13 HD1 PHE 13 3.872 -10.229 -5.862 106 HD2 PHE 13 HD2 PHE 13 3.896 -11.643 -1.851 107 HE1 PHE 13 HE1 PHE 13 5.305 -12.111 -6.539 108 HE2 PHE 13 HE2 PHE 13 5.330 -13.532 -2.526 109 HZ PHE 13 HZ PHE 13 6.033 -13.762 -4.869 110 H PHE 14 H PHE 14 2.776 -6.872 -4.898 111 HA PHE 14 HA PHE 14 1.316 -5.060 -3.050 112 HB2 PHE 14 HB2 PHE 14 2.351 -4.522 -5.813 113 HB3 PHE 14 HB3 PHE 14 1.787 -3.344 -4.639 114 HD1 PHE 14 HD1 PHE 14 3.223 -3.366 -2.371 115 HD2 PHE 14 HD2 PHE 14 4.617 -4.722 -6.146 116 HE1 PHE 14 HE1 PHE 14 5.511 -3.057 -1.628 117 HE2 PHE 14 HE2 PHE 14 6.929 -4.428 -5.395 118 HZ PHE 14 HZ PHE 14 7.384 -3.591 -3.133 119 H GLU 15 H GLU 15 -0.887 -4.576 -3.625 120 HA GLU 15 HA GLU 15 -1.963 -6.526 -5.356 121 HB2 GLU 15 HB2 GLU 15 -2.935 -5.935 -3.118 122 HB3 GLU 15 HB3 GLU 15 -3.348 -4.356 -3.782 123 HG2 GLU 15 HG2 GLU 15 -4.548 -5.437 -5.545 124 HG3 GLU 15 HG3 GLU 15 -4.178 -6.991 -4.782 125 H SER 16 H SER 16 -2.711 -6.107 -7.329 126 HA SER 16 HA SER 16 -2.356 -3.414 -8.395 127 HB2 SER 16 HB2 SER 16 -2.539 -6.100 -9.771 128 HB3 SER 16 HB3 SER 16 -2.213 -4.559 -10.562 129 HG SER 16 HG SER 16 -0.293 -4.460 -9.699 130 H HIS 17 H HIS 17 -4.721 -4.365 -6.847 131 HA HIS 17 HA HIS 17 -6.781 -3.834 -8.884 132 HB2 HIS 17 HB2 HIS 17 -6.634 -6.296 -8.328 133 HB3 HIS 17 HB3 HIS 17 -7.073 -5.885 -6.673 134 HD1 HIS 17 HD1 HIS 17 -9.540 -5.522 -6.200 135 HD2 HIS 17 HD2 HIS 17 -8.712 -5.890 -10.241 136 HE1 HIS 17 HE1 HIS 17 -11.763 -5.687 -7.325 137 HE2 HIS 17 HE2 HIS 17 -11.235 -5.648 -9.772 138 H VAL 18 H VAL 18 -5.333 -2.364 -6.654 139 HA VAL 18 HA VAL 18 -7.288 -1.983 -4.615 140 HB VAL 18 HB VAL 18 -4.879 -0.263 -5.203 141 HG11 VAL 18 HG11 VAL 18 -6.484 -0.634 -2.660 142 HG12 VAL 18 HG12 VAL 18 -6.491 0.796 -3.685 143 HG13 VAL 18 HG13 VAL 18 -5.025 0.348 -2.807 144 HG21 VAL 18 HG21 VAL 18 -3.722 -1.635 -3.506 145 HG22 VAL 18 HG22 VAL 18 -4.212 -2.576 -4.912 146 HG23 VAL 18 HG23 VAL 18 -5.138 -2.675 -3.415 147 H ALA 19 H ALA 19 -8.677 -0.247 -4.320 148 HA ALA 19 HA ALA 19 -8.994 1.493 -6.656 149 HB1 ALA 19 HB1 ALA 19 -11.090 0.555 -4.703 150 HB2 ALA 19 HB2 ALA 19 -10.872 -0.028 -6.359 151 HB3 ALA 19 HB3 ALA 19 -11.369 1.636 -6.067 152 H ARG 20 H ARG 20 -9.229 3.668 -6.362 153 HA ARG 20 HA ARG 20 -8.164 4.908 -4.069 154 HB2 ARG 20 HB2 ARG 20 -8.065 6.008 -6.226 155 HB3 ARG 20 HB3 ARG 20 -9.815 6.032 -6.353 156 HG2 ARG 20 HG2 ARG 20 -9.043 8.246 -5.813 157 HG3 ARG 20 HG3 ARG 20 -9.904 7.590 -4.426 158 HD2 ARG 20 HD2 ARG 20 -7.683 6.981 -3.440 159 HD3 ARG 20 HD3 ARG 20 -6.911 7.839 -4.773 160 HE ARG 20 HE ARG 20 -8.873 9.305 -3.233 161 HH11 ARG 20 HH11 ARG 20 -5.411 8.829 -3.881 162 HH12 ARG 20 HH12 ARG 20 -4.948 10.146 -2.886 163 HH21 ARG 20 HH21 ARG 20 -8.193 11.111 -1.962 164 HH22 ARG 20 HH22 ARG 20 -6.528 11.466 -1.800 165 H ALA 21 H ALA 21 -11.388 4.070 -5.013 166 HA ALA 21 HA ALA 21 -12.746 5.629 -3.062 167 HB1 ALA 21 HB1 ALA 21 -13.715 3.222 -4.581 168 HB2 ALA 21 HB2 ALA 21 -13.807 4.896 -5.141 169 HB3 ALA 21 HB3 ALA 21 -14.720 4.386 -3.717 170 H ASN 22 H ASN 22 -10.851 2.854 -2.687 171 HA ASN 22 HA ASN 22 -12.382 2.071 -0.282 172 HB2 ASN 22 HB2 ASN 22 -12.283 0.357 -2.092 173 HB3 ASN 22 HB3 ASN 22 -10.536 0.335 -1.893 174 HD21 ASN 22 HD21 ASN 22 -10.344 -1.622 -1.192 175 HD22 ASN 22 HD22 ASN 22 -10.969 -2.302 0.260 176 H VAL 23 H VAL 23 -9.631 3.645 -1.236 177 HA VAL 23 HA VAL 23 -8.000 2.514 0.894 178 HB VAL 23 HB VAL 23 -6.830 3.022 -1.199 179 HG11 VAL 23 HG11 VAL 23 -8.186 4.883 -1.987 180 HG12 VAL 23 HG12 VAL 23 -6.476 5.308 -1.970 181 HG13 VAL 23 HG13 VAL 23 -7.546 5.906 -0.701 182 HG21 VAL 23 HG21 VAL 23 -5.983 4.899 0.988 183 HG22 VAL 23 HG22 VAL 23 -4.972 4.255 -0.310 184 HG23 VAL 23 HG23 VAL 23 -5.619 3.173 0.922 185 H LYS 24 H LYS 24 -7.946 3.237 2.898 186 HA LYS 24 HA LYS 24 -9.236 5.785 3.369 187 HB2 LYS 24 HB2 LYS 24 -9.363 5.236 5.709 188 HB3 LYS 24 HB3 LYS 24 -10.015 3.927 4.752 189 HG2 LYS 24 HG2 LYS 24 -7.928 2.684 5.104 190 HG3 LYS 24 HG3 LYS 24 -7.365 3.994 6.148 191 HD2 LYS 24 HD2 LYS 24 -9.798 2.248 6.573 192 HD3 LYS 24 HD3 LYS 24 -8.320 2.256 7.536 193 HE2 LYS 24 HE2 LYS 24 -8.804 4.609 8.185 194 HE3 LYS 24 HE3 LYS 24 -10.294 4.527 7.269 195 HZ1 LYS 24 HZ1 LYS 24 -10.714 4.173 9.573 196 HZ2 LYS 24 HZ2 LYS 24 -9.632 2.896 9.639 197 HZ3 LYS 24 HZ3 LYS 24 -11.054 2.753 8.734 198 H HIS 25 H HIS 25 -6.055 4.340 3.599 199 HA HIS 25 HA HIS 25 -5.033 6.997 3.896 200 HB2 HIS 25 HB2 HIS 25 -3.497 6.591 5.734 201 HB3 HIS 25 HB3 HIS 25 -5.134 6.275 6.330 202 HD1 HIS 25 HD1 HIS 25 -3.027 5.506 8.065 203 HD2 HIS 25 HD2 HIS 25 -3.941 3.069 4.849 204 HE1 HIS 25 HE1 HIS 25 -2.056 3.295 8.625 205 HE2 HIS 25 HE2 HIS 25 -2.260 2.016 6.543 206 H LEU 26 H LEU 26 -2.988 7.337 3.171 207 HA LEU 26 HA LEU 26 -1.901 5.127 1.588 208 HB2 LEU 26 HB2 LEU 26 -1.719 8.118 1.188 209 HB3 LEU 26 HB3 LEU 26 -0.754 6.974 0.296 210 HG LEU 26 HG LEU 26 -2.516 7.737 -1.091 211 HD11 LEU 26 HD11 LEU 26 -3.654 5.667 -1.695 212 HD12 LEU 26 HD12 LEU 26 -3.059 4.935 -0.205 213 HD13 LEU 26 HD13 LEU 26 -1.919 5.479 -1.437 214 HD21 LEU 26 HD21 LEU 26 -4.127 8.502 0.569 215 HD22 LEU 26 HD22 LEU 26 -4.475 6.838 1.028 216 HD23 LEU 26 HD23 LEU 26 -4.909 7.418 -0.579 217 H LYS 27 H LYS 27 0.170 4.556 1.878 218 HA LYS 27 HA LYS 27 1.962 6.229 3.423 219 HB2 LYS 27 HB2 LYS 27 0.866 4.818 5.063 220 HB3 LYS 27 HB3 LYS 27 1.183 3.376 4.137 221 HG2 LYS 27 HG2 LYS 27 3.596 3.693 4.511 222 HG3 LYS 27 HG3 LYS 27 3.237 5.142 5.453 223 HD2 LYS 27 HD2 LYS 27 2.295 2.346 6.104 224 HD3 LYS 27 HD3 LYS 27 3.630 3.184 6.896 225 HE2 LYS 27 HE2 LYS 27 0.713 4.017 6.919 226 HE3 LYS 27 HE3 LYS 27 1.613 3.314 8.252 227 HZ1 LYS 27 HZ1 LYS 27 3.075 5.257 8.240 228 HZ2 LYS 27 HZ2 LYS 27 1.479 5.695 8.522 229 HZ3 LYS 27 HZ3 LYS 27 2.159 5.971 7.018 230 H ILE 28 H ILE 28 3.904 6.175 2.345 231 HA ILE 28 HA ILE 28 4.391 3.834 0.668 232 HB ILE 28 HB ILE 28 4.971 6.700 -0.119 233 HG12 ILE 28 HG12 ILE 28 2.957 4.743 -1.225 234 HG13 ILE 28 HG13 ILE 28 2.573 6.177 -0.281 235 HG21 ILE 28 HG21 ILE 28 6.641 5.102 -0.963 236 HG22 ILE 28 HG22 ILE 28 5.648 5.721 -2.287 237 HG23 ILE 28 HG23 ILE 28 5.343 4.112 -1.633 238 HD11 ILE 28 HD11 ILE 28 3.801 6.112 -3.036 239 HD12 ILE 28 HD12 ILE 28 3.466 7.576 -2.106 240 HD13 ILE 28 HD13 ILE 28 2.141 6.537 -2.642 241 H LEU 29 H LEU 29 6.208 2.893 1.143 242 HA LEU 29 HA LEU 29 8.223 4.418 2.611 243 HB2 LEU 29 HB2 LEU 29 7.192 2.623 3.918 244 HB3 LEU 29 HB3 LEU 29 7.609 1.462 2.678 245 HG LEU 29 HG LEU 29 9.998 1.772 3.171 246 HD11 LEU 29 HD11 LEU 29 10.686 3.082 5.126 247 HD12 LEU 29 HD12 LEU 29 9.028 3.648 5.325 248 HD13 LEU 29 HD13 LEU 29 9.943 4.100 3.889 249 HD21 LEU 29 HD21 LEU 29 10.006 0.749 5.385 250 HD22 LEU 29 HD22 LEU 29 8.743 0.058 4.366 251 HD23 LEU 29 HD23 LEU 29 8.322 1.229 5.616 252 H ASN 30 H ASN 30 9.988 4.798 1.576 253 HA ASN 30 HA ASN 30 10.530 3.555 -1.004 254 HB2 ASN 30 HB2 ASN 30 12.060 5.723 0.475 255 HB3 ASN 30 HB3 ASN 30 12.284 5.256 -1.197 256 HD21 ASN 30 HD21 ASN 30 10.297 6.972 1.062 257 HD22 ASN 30 HD22 ASN 30 9.344 7.827 -0.068 258 H THR 31 H THR 31 11.804 1.637 -0.994 259 HA THR 31 HA THR 31 13.828 1.636 1.072 260 HB THR 31 HB THR 31 12.424 -0.762 -0.175 261 HG1 THR 31 HG1 THR 31 11.667 1.000 1.677 262 HG21 THR 31 HG21 THR 31 13.386 -1.945 1.699 263 HG22 THR 31 HG22 THR 31 14.173 -0.469 2.259 264 HG23 THR 31 HG23 THR 31 14.676 -1.202 0.724 265 HA PRO 32 HA PRO 32 16.581 1.973 -2.437 266 HB2 PRO 32 HB2 PRO 32 18.570 0.608 -0.728 267 HB3 PRO 32 HB3 PRO 32 18.652 2.190 -1.501 268 HG2 PRO 32 HG2 PRO 32 18.284 1.946 1.136 269 HG3 PRO 32 HG3 PRO 32 17.496 3.234 0.211 270 HD2 PRO 32 HD2 PRO 32 16.345 0.692 1.274 271 HD3 PRO 32 HD3 PRO 32 15.641 2.318 1.162 272 H ASN 33 H ASN 33 17.166 -1.049 -0.664 273 HA ASN 33 HA ASN 33 17.878 -2.347 -3.183 274 HB2 ASN 33 HB2 ASN 33 18.136 -3.361 -0.345 275 HB3 ASN 33 HB3 ASN 33 18.698 -4.197 -1.782 276 HD21 ASN 33 HD21 ASN 33 19.225 -1.524 0.333 277 HD22 ASN 33 HD22 ASN 33 20.810 -1.118 -0.206 278 H CYS 34 H CYS 34 15.127 -1.831 -1.715 279 HA CYS 34 HA CYS 34 13.954 -4.295 -2.618 280 HB2 CYS 34 HB2 CYS 34 13.214 -2.558 -0.285 281 HB3 CYS 34 HB3 CYS 34 12.212 -3.850 -0.922 282 H ALA 35 H ALA 35 11.453 -3.643 -2.862 283 HA ALA 35 HA ALA 35 11.623 -1.709 -4.970 284 HB1 ALA 35 HB1 ALA 35 9.396 -2.467 -5.531 285 HB2 ALA 35 HB2 ALA 35 9.311 -3.355 -4.013 286 HB3 ALA 35 HB3 ALA 35 10.449 -3.862 -5.266 287 H LEU 36 H LEU 36 9.828 -0.186 -5.210 288 HA LEU 36 HA LEU 36 9.586 1.417 -2.878 289 HB2 LEU 36 HB2 LEU 36 9.853 2.365 -5.171 290 HB3 LEU 36 HB3 LEU 36 8.331 1.659 -5.640 291 HG LEU 36 HG LEU 36 8.307 4.144 -5.252 292 HD11 LEU 36 HD11 LEU 36 6.227 2.891 -5.191 293 HD12 LEU 36 HD12 LEU 36 6.212 4.211 -4.020 294 HD13 LEU 36 HD13 LEU 36 6.478 2.555 -3.477 295 HD21 LEU 36 HD21 LEU 36 8.272 4.950 -2.950 296 HD22 LEU 36 HD22 LEU 36 9.818 4.209 -3.356 297 HD23 LEU 36 HD23 LEU 36 8.651 3.324 -2.378 298 H GLN 37 H GLN 37 8.332 0.677 -1.351 299 HA GLN 37 HA GLN 37 5.989 -0.904 -2.059 300 HB2 GLN 37 HB2 GLN 37 7.376 -0.463 0.565 301 HB3 GLN 37 HB3 GLN 37 5.949 -1.452 0.339 302 HG2 GLN 37 HG2 GLN 37 7.146 -3.193 -0.387 303 HG3 GLN 37 HG3 GLN 37 8.023 -2.177 -1.530 304 HE21 GLN 37 HE21 GLN 37 9.063 -0.434 0.425 305 HE22 GLN 37 HE22 GLN 37 10.300 -1.259 1.259 306 H ILE 38 H ILE 38 4.083 -0.095 -2.041 307 HA ILE 38 HA ILE 38 3.511 2.327 -0.506 308 HB ILE 38 HB ILE 38 2.033 0.987 -2.763 309 HG12 ILE 38 HG12 ILE 38 3.610 3.566 -2.817 310 HG13 ILE 38 HG13 ILE 38 4.123 2.032 -3.505 311 HG21 ILE 38 HG21 ILE 38 0.459 2.154 -1.313 312 HG22 ILE 38 HG22 ILE 38 0.623 3.051 -2.821 313 HG23 ILE 38 HG23 ILE 38 1.427 3.617 -1.358 314 HD11 ILE 38 HD11 ILE 38 1.751 3.666 -4.382 315 HD12 ILE 38 HD12 ILE 38 2.259 2.125 -5.081 316 HD13 ILE 38 HD13 ILE 38 3.302 3.545 -5.207 317 H VAL 39 H VAL 39 2.015 2.147 1.083 318 HA VAL 39 HA VAL 39 0.707 -0.452 1.470 319 HB VAL 39 HB VAL 39 1.771 1.400 3.626 320 HG11 VAL 39 HG11 VAL 39 0.497 -1.322 3.849 321 HG12 VAL 39 HG12 VAL 39 -0.218 0.206 4.350 322 HG13 VAL 39 HG13 VAL 39 1.206 -0.417 5.182 323 HG21 VAL 39 HG21 VAL 39 3.606 0.275 2.488 324 HG22 VAL 39 HG22 VAL 39 2.820 -1.285 2.725 325 HG23 VAL 39 HG23 VAL 39 3.409 -0.376 4.119 326 H ALA 40 H ALA 40 -1.423 -0.348 1.861 327 HA ALA 40 HA ALA 40 -2.686 2.252 2.437 328 HB1 ALA 40 HB1 ALA 40 -2.798 1.949 0.059 329 HB2 ALA 40 HB2 ALA 40 -4.393 1.716 0.767 330 HB3 ALA 40 HB3 ALA 40 -3.440 0.317 0.264 331 H ARG 41 H ARG 41 -4.681 2.041 3.446 332 HA ARG 41 HA ARG 41 -5.278 -0.698 4.261 333 HB2 ARG 41 HB2 ARG 41 -4.486 1.014 6.184 334 HB3 ARG 41 HB3 ARG 41 -6.051 1.652 5.954 335 HG2 ARG 41 HG2 ARG 41 -7.188 -0.190 6.733 336 HG3 ARG 41 HG3 ARG 41 -5.839 -1.269 6.358 337 HD2 ARG 41 HD2 ARG 41 -6.074 -1.024 8.757 338 HD3 ARG 41 HD3 ARG 41 -4.557 -0.347 8.190 339 HE ARG 41 HE ARG 41 -6.622 1.621 8.449 340 HH11 ARG 41 HH11 ARG 41 -4.111 -0.155 10.208 341 HH12 ARG 41 HH12 ARG 41 -4.070 0.928 11.515 342 HH21 ARG 41 HH21 ARG 41 -6.572 3.104 10.275 343 HH22 ARG 41 HH22 ARG 41 -5.504 2.815 11.552 344 H LEU 42 H LEU 42 -7.226 -1.378 3.944 345 HA LEU 42 HA LEU 42 -8.825 0.141 2.113 346 HB2 LEU 42 HB2 LEU 42 -9.367 -2.540 3.361 347 HB3 LEU 42 HB3 LEU 42 -10.133 -1.894 1.943 348 HG LEU 42 HG LEU 42 -7.256 -2.703 2.213 349 HD11 LEU 42 HD11 LEU 42 -7.807 -4.393 0.566 350 HD12 LEU 42 HD12 LEU 42 -9.494 -3.878 0.610 351 HD13 LEU 42 HD13 LEU 42 -8.737 -4.564 2.053 352 HD21 LEU 42 HD21 LEU 42 -7.021 -2.176 -0.158 353 HD22 LEU 42 HD22 LEU 42 -7.414 -0.742 0.786 354 HD23 LEU 42 HD23 LEU 42 -8.666 -1.527 -0.180 355 H LYS 43 H LYS 43 -10.809 0.993 2.432 356 HA LYS 43 HA LYS 43 -11.555 1.760 5.049 357 HB2 LYS 43 HB2 LYS 43 -13.079 1.922 2.450 358 HB3 LYS 43 HB3 LYS 43 -13.565 2.697 3.958 359 HG2 LYS 43 HG2 LYS 43 -11.594 4.052 3.881 360 HG3 LYS 43 HG3 LYS 43 -11.059 3.277 2.371 361 HD2 LYS 43 HD2 LYS 43 -12.084 5.412 1.912 362 HD3 LYS 43 HD3 LYS 43 -13.169 4.137 1.352 363 HE2 LYS 43 HE2 LYS 43 -14.538 4.358 3.313 364 HE3 LYS 43 HE3 LYS 43 -13.386 5.486 4.027 365 HZ1 LYS 43 HZ1 LYS 43 -15.277 6.654 3.114 366 HZ2 LYS 43 HZ2 LYS 43 -15.022 5.962 1.581 367 HZ3 LYS 43 HZ3 LYS 43 -13.913 7.046 2.249 368 H ASN 44 H ASN 44 -13.070 -0.383 2.660 369 HA ASN 44 HA ASN 44 -15.136 -1.062 4.525 370 HB2 ASN 44 HB2 ASN 44 -15.620 -0.860 2.128 371 HB3 ASN 44 HB3 ASN 44 -14.553 -2.215 1.795 372 HD21 ASN 44 HD21 ASN 44 -16.775 -2.064 4.536 373 HD22 ASN 44 HD22 ASN 44 -17.798 -3.330 3.985 374 H ASN 45 H ASN 45 -12.262 -2.720 3.321 375 HA ASN 45 HA ASN 45 -13.076 -5.006 4.949 376 HB2 ASN 45 HB2 ASN 45 -12.284 -5.435 2.629 377 HB3 ASN 45 HB3 ASN 45 -10.679 -4.875 3.089 378 HD21 ASN 45 HD21 ASN 45 -9.783 -6.933 2.520 379 HD22 ASN 45 HD22 ASN 45 -10.007 -8.302 3.519 380 H ASN 46 H ASN 46 -10.908 -2.331 5.133 381 HA ASN 46 HA ASN 46 -9.519 -1.536 6.827 382 HB2 ASN 46 HB2 ASN 46 -11.419 -2.392 8.310 383 HB3 ASN 46 HB3 ASN 46 -10.556 -3.909 8.449 384 HD21 ASN 46 HD21 ASN 46 -8.723 -3.971 9.797 385 HD22 ASN 46 HD22 ASN 46 -8.344 -2.715 10.912 386 H ARG 47 H ARG 47 -8.983 -4.326 5.192 387 HA ARG 47 HA ARG 47 -6.641 -5.103 6.532 388 HB2 ARG 47 HB2 ARG 47 -7.917 -5.803 3.953 389 HB3 ARG 47 HB3 ARG 47 -6.214 -6.162 4.164 390 HG2 ARG 47 HG2 ARG 47 -7.833 -7.979 4.666 391 HG3 ARG 47 HG3 ARG 47 -6.651 -7.632 5.957 392 HD2 ARG 47 HD2 ARG 47 -8.325 -6.420 7.130 393 HD3 ARG 47 HD3 ARG 47 -9.451 -6.606 5.809 394 HE ARG 47 HE ARG 47 -8.522 -9.123 6.783 395 HH11 ARG 47 HH11 ARG 47 -10.886 -6.579 7.507 396 HH12 ARG 47 HH12 ARG 47 -11.905 -7.610 8.416 397 HH21 ARG 47 HH21 ARG 47 -9.958 -10.508 7.993 398 HH22 ARG 47 HH22 ARG 47 -11.392 -9.859 8.677 399 H GLN 48 H GLN 48 -4.724 -4.707 6.175 400 HA GLN 48 HA GLN 48 -4.015 -2.310 4.742 401 HB2 GLN 48 HB2 GLN 48 -3.257 -2.735 7.058 402 HB3 GLN 48 HB3 GLN 48 -2.403 -4.174 6.487 403 HG2 GLN 48 HG2 GLN 48 -1.145 -2.666 5.019 404 HG3 GLN 48 HG3 GLN 48 -2.014 -1.358 5.814 405 HE21 GLN 48 HE21 GLN 48 -1.009 -4.166 7.616 406 HE22 GLN 48 HE22 GLN 48 0.188 -3.390 8.551 407 H VAL 49 H VAL 49 -3.376 -2.569 2.686 408 HA VAL 49 HA VAL 49 -2.064 -5.078 1.914 409 HB VAL 49 HB VAL 49 -3.094 -4.952 -0.301 410 HG11 VAL 49 HG11 VAL 49 -5.412 -5.488 0.257 411 HG12 VAL 49 HG12 VAL 49 -5.173 -4.809 1.867 412 HG13 VAL 49 HG13 VAL 49 -4.272 -6.239 1.376 413 HG21 VAL 49 HG21 VAL 49 -3.351 -2.533 -0.497 414 HG22 VAL 49 HG22 VAL 49 -4.619 -2.549 0.732 415 HG23 VAL 49 HG23 VAL 49 -4.876 -3.346 -0.826 416 H CYS 50 H CYS 50 -0.709 -4.760 -0.057 417 HA CYS 50 HA CYS 50 0.513 -2.126 0.129 418 HB2 CYS 50 HB2 CYS 50 1.712 -4.604 -1.139 419 HB3 CYS 50 HB3 CYS 50 2.452 -3.055 -0.752 420 H ILE 51 H ILE 51 1.273 -1.192 -1.905 421 HA ILE 51 HA ILE 51 -0.538 -1.875 -4.109 422 HB ILE 51 HB ILE 51 0.172 0.942 -3.246 423 HG12 ILE 51 HG12 ILE 51 -2.249 -0.756 -2.786 424 HG13 ILE 51 HG13 ILE 51 -1.223 -0.008 -1.605 425 HG21 ILE 51 HG21 ILE 51 -0.264 0.677 -5.644 426 HG22 ILE 51 HG22 ILE 51 -1.540 1.592 -4.829 427 HG23 ILE 51 HG23 ILE 51 -1.789 -0.113 -5.224 428 HD11 ILE 51 HD11 ILE 51 -1.907 2.219 -2.246 429 HD12 ILE 51 HD12 ILE 51 -3.315 1.242 -1.824 430 HD13 ILE 51 HD13 ILE 51 -2.932 1.554 -3.519 431 H ASP 52 H ASP 52 0.240 -1.663 -6.128 432 HA ASP 52 HA ASP 52 3.108 -1.438 -6.438 433 HB2 ASP 52 HB2 ASP 52 1.967 -3.317 -7.481 434 HB3 ASP 52 HB3 ASP 52 0.913 -2.192 -8.342 435 HA PRO 53 HA PRO 53 2.852 2.801 -7.734 436 HB2 PRO 53 HB2 PRO 53 5.144 2.822 -9.274 437 HB3 PRO 53 HB3 PRO 53 5.095 3.042 -7.524 438 HG2 PRO 53 HG2 PRO 53 5.664 0.572 -9.106 439 HG3 PRO 53 HG3 PRO 53 6.466 1.172 -7.639 440 HD2 PRO 53 HD2 PRO 53 4.691 -0.805 -7.545 441 HD3 PRO 53 HD3 PRO 53 4.751 0.420 -6.261 442 H LYS 54 H LYS 54 2.806 0.121 -9.988 443 HA LYS 54 HA LYS 54 2.398 1.929 -12.207 444 HB2 LYS 54 HB2 LYS 54 2.723 -1.049 -12.147 445 HB3 LYS 54 HB3 LYS 54 2.375 -0.144 -13.621 446 HG2 LYS 54 HG2 LYS 54 4.744 0.306 -11.838 447 HG3 LYS 54 HG3 LYS 54 4.764 -0.609 -13.353 448 HD2 LYS 54 HD2 LYS 54 4.305 1.288 -14.639 449 HD3 LYS 54 HD3 LYS 54 3.798 2.263 -13.278 450 HE2 LYS 54 HE2 LYS 54 5.927 2.187 -12.391 451 HE3 LYS 54 HE3 LYS 54 6.560 1.226 -13.747 452 HZ1 LYS 54 HZ1 LYS 54 7.041 3.566 -14.156 453 HZ2 LYS 54 HZ2 LYS 54 5.469 4.017 -13.841 454 HZ3 LYS 54 HZ3 LYS 54 5.826 3.127 -15.218 455 H LEU 55 H LEU 55 0.518 1.289 -9.994 456 HA LEU 55 HA LEU 55 -1.808 0.692 -11.574 457 HB2 LEU 55 HB2 LEU 55 -1.302 1.634 -8.834 458 HB3 LEU 55 HB3 LEU 55 -2.915 1.706 -9.413 459 HG LEU 55 HG LEU 55 -1.256 -0.820 -9.073 460 HD11 LEU 55 HD11 LEU 55 -3.744 0.133 -7.686 461 HD12 LEU 55 HD12 LEU 55 -2.106 0.244 -7.032 462 HD13 LEU 55 HD13 LEU 55 -2.841 -1.340 -7.324 463 HD21 LEU 55 HD21 LEU 55 -3.340 -1.992 -9.607 464 HD22 LEU 55 HD22 LEU 55 -2.764 -1.047 -10.993 465 HD23 LEU 55 HD23 LEU 55 -4.096 -0.462 -9.985 466 H LYS 56 H LYS 56 -3.180 2.183 -12.348 467 HA LYS 56 HA LYS 56 -1.735 4.542 -12.952 468 HB2 LYS 56 HB2 LYS 56 -4.287 3.547 -14.172 469 HB3 LYS 56 HB3 LYS 56 -3.479 5.043 -14.660 470 HG2 LYS 56 HG2 LYS 56 -1.435 3.799 -15.145 471 HG3 LYS 56 HG3 LYS 56 -2.235 2.303 -14.692 472 HD2 LYS 56 HD2 LYS 56 -3.787 2.573 -16.551 473 HD3 LYS 56 HD3 LYS 56 -3.008 4.102 -16.991 474 HE2 LYS 56 HE2 LYS 56 -0.885 2.915 -17.321 475 HE3 LYS 56 HE3 LYS 56 -1.669 1.404 -16.890 476 HZ1 LYS 56 HZ1 LYS 56 -2.282 3.095 -19.243 477 HZ2 LYS 56 HZ2 LYS 56 -3.092 1.656 -18.869 478 HZ3 LYS 56 HZ3 LYS 56 -1.447 1.643 -19.261 479 H TRP 57 H TRP 57 -4.430 3.979 -10.871 480 HA TRP 57 HA TRP 57 -4.950 6.788 -10.636 481 HB2 TRP 57 HB2 TRP 57 -6.272 6.284 -8.641 482 HB3 TRP 57 HB3 TRP 57 -6.624 5.076 -9.856 483 HD1 TRP 57 HD1 TRP 57 -5.605 2.506 -9.314 484 HE1 TRP 57 HE1 TRP 57 -5.156 1.395 -7.101 485 HE3 TRP 57 HE3 TRP 57 -5.474 6.644 -6.319 486 HZ2 TRP 57 HZ2 TRP 57 -4.776 2.089 -4.444 487 HZ3 TRP 57 HZ3 TRP 57 -5.053 6.316 -3.911 488 HH2 TRP 57 HH2 TRP 57 -4.711 4.080 -2.989 489 H ILE 58 H ILE 58 -2.608 4.676 -9.544 490 HA ILE 58 HA ILE 58 -1.557 6.223 -7.399 491 HB ILE 58 HB ILE 58 -0.500 3.862 -8.955 492 HG12 ILE 58 HG12 ILE 58 -2.358 3.365 -7.480 493 HG13 ILE 58 HG13 ILE 58 -0.878 2.617 -6.904 494 HG21 ILE 58 HG21 ILE 58 1.190 3.611 -7.240 495 HG22 ILE 58 HG22 ILE 58 0.838 5.224 -6.634 496 HG23 ILE 58 HG23 ILE 58 1.463 5.021 -8.281 497 HD11 ILE 58 HD11 ILE 58 -0.613 4.370 -5.250 498 HD12 ILE 58 HD12 ILE 58 -2.159 3.540 -5.068 499 HD13 ILE 58 HD13 ILE 58 -2.102 5.143 -5.807 500 H GLN 59 H GLN 59 -0.906 5.870 -10.844 501 HA GLN 59 HA GLN 59 1.387 7.463 -10.984 502 HB2 GLN 59 HB2 GLN 59 -0.862 7.199 -12.964 503 HB3 GLN 59 HB3 GLN 59 0.650 8.044 -13.283 504 HG2 GLN 59 HG2 GLN 59 0.425 5.108 -12.606 505 HG3 GLN 59 HG3 GLN 59 0.602 5.753 -14.236 506 HE21 GLN 59 HE21 GLN 59 2.207 5.082 -11.230 507 HE22 GLN 59 HE22 GLN 59 3.796 5.404 -11.787 508 H GLU 60 H GLU 60 -2.032 8.436 -11.277 509 HA GLU 60 HA GLU 60 -1.523 11.186 -11.249 510 HB2 GLU 60 HB2 GLU 60 -3.987 9.677 -10.402 511 HB3 GLU 60 HB3 GLU 60 -3.882 11.418 -10.252 512 HG2 GLU 60 HG2 GLU 60 -5.074 10.899 -12.245 513 HG3 GLU 60 HG3 GLU 60 -3.510 11.555 -12.697 514 H TYR 61 H TYR 61 -1.960 8.920 -8.574 515 HA TYR 61 HA TYR 61 -1.989 10.784 -6.500 516 HB2 TYR 61 HB2 TYR 61 -2.402 8.335 -6.138 517 HB3 TYR 61 HB3 TYR 61 -0.686 8.051 -6.384 518 HD1 TYR 61 HD1 TYR 61 -3.127 9.684 -4.157 519 HD2 TYR 61 HD2 TYR 61 0.902 8.411 -4.614 520 HE1 TYR 61 HE1 TYR 61 -2.710 10.144 -1.791 521 HE2 TYR 61 HE2 TYR 61 1.326 8.878 -2.246 522 HH TYR 61 HH TYR 61 0.402 10.273 -0.471 523 H LEU 62 H LEU 62 0.844 9.151 -7.937 524 HA LEU 62 HA LEU 62 2.690 10.534 -6.303 525 HB2 LEU 62 HB2 LEU 62 3.026 9.003 -8.843 526 HB3 LEU 62 HB3 LEU 62 4.360 9.947 -8.220 527 HG LEU 62 HG LEU 62 4.279 8.583 -6.119 528 HD11 LEU 62 HD11 LEU 62 2.265 6.931 -7.554 529 HD12 LEU 62 HD12 LEU 62 1.990 7.939 -6.139 530 HD13 LEU 62 HD13 LEU 62 3.060 6.543 -6.024 531 HD21 LEU 62 HD21 LEU 62 5.799 8.056 -7.910 532 HD22 LEU 62 HD22 LEU 62 4.584 7.019 -8.656 533 HD23 LEU 62 HD23 LEU 62 5.255 6.597 -7.070 534 H GLU 63 H GLU 63 1.310 11.299 -9.435 535 HA GLU 63 HA GLU 63 2.954 13.447 -10.062 536 HB2 GLU 63 HB2 GLU 63 1.506 12.345 -11.655 537 HB3 GLU 63 HB3 GLU 63 0.089 12.826 -10.741 538 HG2 GLU 63 HG2 GLU 63 0.556 15.130 -11.212 539 HG3 GLU 63 HG3 GLU 63 1.998 14.655 -12.124 540 H LYS 64 H LYS 64 -0.213 13.343 -8.376 541 HA LYS 64 HA LYS 64 -0.118 16.152 -7.946 542 HB2 LYS 64 HB2 LYS 64 -2.122 15.903 -6.562 543 HB3 LYS 64 HB3 LYS 64 -2.283 15.156 -8.137 544 HG2 LYS 64 HG2 LYS 64 -1.947 12.964 -7.129 545 HG3 LYS 64 HG3 LYS 64 -1.774 13.727 -5.542 546 HD2 LYS 64 HD2 LYS 64 -3.984 14.654 -5.718 547 HD3 LYS 64 HD3 LYS 64 -4.158 13.976 -7.335 548 HE2 LYS 64 HE2 LYS 64 -4.011 11.714 -6.419 549 HE3 LYS 64 HE3 LYS 64 -3.802 12.362 -4.796 550 HZ1 LYS 64 HZ1 LYS 64 -6.184 12.740 -6.512 551 HZ2 LYS 64 HZ2 LYS 64 -6.001 13.328 -4.936 552 HZ3 LYS 64 HZ3 LYS 64 -6.087 11.666 -5.231 553 H ALA 65 H ALA 65 0.914 13.408 -6.081 554 HA ALA 65 HA ALA 65 1.239 14.828 -3.654 555 HB1 ALA 65 HB1 ALA 65 2.651 12.964 -2.945 556 HB2 ALA 65 HB2 ALA 65 2.726 12.378 -4.607 557 HB3 ALA 65 HB3 ALA 65 1.191 12.371 -3.739 558 H LEU 66 H LEU 66 3.291 14.358 -6.486 559 HA LEU 66 HA LEU 66 5.574 15.567 -5.311 560 HB2 LEU 66 HB2 LEU 66 5.770 13.874 -7.023 561 HB3 LEU 66 HB3 LEU 66 4.842 14.849 -8.142 562 HG LEU 66 HG LEU 66 6.622 16.506 -8.131 563 HD11 LEU 66 HD11 LEU 66 8.859 15.895 -7.248 564 HD12 LEU 66 HD12 LEU 66 8.151 14.455 -6.521 565 HD13 LEU 66 HD13 LEU 66 7.652 16.056 -5.975 566 HD21 LEU 66 HD21 LEU 66 7.455 13.721 -8.928 567 HD22 LEU 66 HD22 LEU 66 8.206 15.204 -9.517 568 HD23 LEU 66 HD23 LEU 66 6.518 14.858 -9.897 569 H ASN 67 H ASN 67 2.835 16.637 -7.234 570 HA ASN 67 HA ASN 67 4.112 19.213 -7.674 571 HB2 ASN 67 HB2 ASN 67 2.956 18.238 -9.557 572 HB3 ASN 67 HB3 ASN 67 1.450 18.196 -8.647 573 HD21 ASN 67 HD21 ASN 67 3.718 20.210 -10.328 574 HD22 ASN 67 HD22 ASN 67 2.737 21.620 -10.371 575 H LYS 68 H LYS 68 1.177 18.020 -5.968 576 HA LYS 68 HA LYS 68 1.110 20.573 -4.572 577 HB2 LYS 68 HB2 LYS 68 -0.375 20.727 -6.551 578 HB3 LYS 68 HB3 LYS 68 -1.216 19.287 -6.016 579 HG2 LYS 68 HG2 LYS 68 -2.020 20.481 -4.048 580 HG3 LYS 68 HG3 LYS 68 -1.139 21.923 -4.565 581 HD2 LYS 68 HD2 LYS 68 -2.446 21.989 -6.626 582 HD3 LYS 68 HD3 LYS 68 -3.327 20.550 -6.118 583 HE2 LYS 68 HE2 LYS 68 -4.213 21.752 -4.203 584 HE3 LYS 68 HE3 LYS 68 -3.283 23.179 -4.653 585 HZ1 LYS 68 HZ1 LYS 68 -5.545 23.396 -5.377 586 HZ2 LYS 68 HZ2 LYS 68 -5.471 21.953 -6.245 587 HZ3 LYS 68 HZ3 LYS 68 -4.530 23.277 -6.714 Start of MODEL 8 1 H LYS 1 H LYS 1 9.202 -7.979 -1.748 2 HA LYS 1 HA LYS 1 9.240 -9.820 -3.253 3 HB2 LYS 1 HB2 LYS 1 8.889 -8.448 -5.317 4 HB3 LYS 1 HB3 LYS 1 10.515 -7.820 -5.114 5 HG2 LYS 1 HG2 LYS 1 11.447 -10.019 -5.494 6 HG3 LYS 1 HG3 LYS 1 9.827 -10.704 -5.631 7 HD2 LYS 1 HD2 LYS 1 10.771 -10.340 -7.846 8 HD3 LYS 1 HD3 LYS 1 9.405 -9.256 -7.580 9 HE2 LYS 1 HE2 LYS 1 10.969 -7.448 -7.020 10 HE3 LYS 1 HE3 LYS 1 12.322 -8.535 -7.322 11 HZ1 LYS 1 HZ1 LYS 1 10.306 -7.630 -9.292 12 HZ2 LYS 1 HZ2 LYS 1 11.554 -8.720 -9.623 13 HZ3 LYS 1 HZ3 LYS 1 11.899 -7.129 -9.205 14 HA PRO 2 HA PRO 2 13.206 -9.726 -1.156 15 HB2 PRO 2 HB2 PRO 2 13.442 -12.399 -0.745 16 HB3 PRO 2 HB3 PRO 2 12.390 -11.382 0.241 17 HG2 PRO 2 HG2 PRO 2 11.681 -13.197 -2.019 18 HG3 PRO 2 HG3 PRO 2 10.817 -12.900 -0.501 19 HD2 PRO 2 HD2 PRO 2 10.138 -11.767 -2.910 20 HD3 PRO 2 HD3 PRO 2 9.752 -11.047 -1.338 21 H VAL 3 H VAL 3 14.969 -9.453 -2.273 22 HA VAL 3 HA VAL 3 15.275 -10.611 -4.881 23 HB VAL 3 HB VAL 3 17.196 -8.842 -3.354 24 HG11 VAL 3 HG11 VAL 3 18.336 -10.071 -5.115 25 HG12 VAL 3 HG12 VAL 3 18.198 -8.363 -5.537 26 HG13 VAL 3 HG13 VAL 3 17.123 -9.548 -6.283 27 HG21 VAL 3 HG21 VAL 3 15.068 -7.743 -3.725 28 HG22 VAL 3 HG22 VAL 3 15.136 -8.146 -5.440 29 HG23 VAL 3 HG23 VAL 3 16.313 -7.027 -4.749 30 H SER 4 H SER 4 16.926 -10.877 -1.884 31 HA SER 4 HA SER 4 18.020 -13.480 -2.716 32 HB2 SER 4 HB2 SER 4 20.315 -12.762 -2.020 33 HB3 SER 4 HB3 SER 4 19.708 -11.965 -3.477 34 HG SER 4 HG SER 4 20.290 -10.919 -0.984 35 H LEU 5 H LEU 5 16.138 -12.417 -0.636 36 HA LEU 5 HA LEU 5 15.547 -12.721 1.512 37 HB2 LEU 5 HB2 LEU 5 17.931 -14.564 1.685 38 HB3 LEU 5 HB3 LEU 5 16.697 -14.415 2.920 39 HG LEU 5 HG LEU 5 16.237 -15.435 0.115 40 HD11 LEU 5 HD11 LEU 5 15.950 -17.608 1.189 41 HD12 LEU 5 HD12 LEU 5 16.390 -16.893 2.742 42 HD13 LEU 5 HD13 LEU 5 17.576 -16.971 1.442 43 HD21 LEU 5 HD21 LEU 5 14.395 -15.310 2.511 44 HD22 LEU 5 HD22 LEU 5 14.036 -16.102 0.977 45 HD23 LEU 5 HD23 LEU 5 14.246 -14.356 1.032 46 H SER 6 H SER 6 18.820 -12.177 1.232 47 HA SER 6 HA SER 6 19.165 -10.669 3.642 48 HB2 SER 6 HB2 SER 6 21.285 -9.863 2.501 49 HB3 SER 6 HB3 SER 6 21.133 -11.617 2.616 50 HG SER 6 HG SER 6 21.787 -10.844 0.569 51 H TYR 7 H TYR 7 18.587 -10.002 0.507 52 HA TYR 7 HA TYR 7 17.697 -7.277 1.084 53 HB2 TYR 7 HB2 TYR 7 18.080 -8.671 -1.556 54 HB3 TYR 7 HB3 TYR 7 17.233 -7.129 -1.443 55 HD1 TYR 7 HD1 TYR 7 20.487 -8.814 -0.935 56 HD2 TYR 7 HD2 TYR 7 18.436 -5.113 -1.201 57 HE1 TYR 7 HE1 TYR 7 22.640 -7.629 -1.049 58 HE2 TYR 7 HE2 TYR 7 20.588 -3.919 -1.313 59 HH TYR 7 HH TYR 7 23.506 -5.524 -1.868 60 H ARG 8 H ARG 8 16.043 -7.745 2.301 61 HA ARG 8 HA ARG 8 13.745 -9.093 1.106 62 HB2 ARG 8 HB2 ARG 8 12.927 -9.278 3.442 63 HB3 ARG 8 HB3 ARG 8 14.466 -10.091 3.208 64 HG2 ARG 8 HG2 ARG 8 15.622 -8.215 4.247 65 HG3 ARG 8 HG3 ARG 8 14.088 -7.375 4.460 66 HD2 ARG 8 HD2 ARG 8 13.293 -9.186 5.879 67 HD3 ARG 8 HD3 ARG 8 14.823 -10.037 5.668 68 HE ARG 8 HE ARG 8 15.555 -7.616 6.605 69 HH11 ARG 8 HH11 ARG 8 13.304 -10.074 7.771 70 HH12 ARG 8 HH12 ARG 8 13.520 -9.703 9.417 71 HH21 ARG 8 HH21 ARG 8 15.845 -7.098 8.922 72 HH22 ARG 8 HH22 ARG 8 14.981 -8.004 10.074 73 H CYS 9 H CYS 9 11.734 -7.990 1.222 74 HA CYS 9 HA CYS 9 12.127 -5.124 1.587 75 HB2 CYS 9 HB2 CYS 9 10.533 -6.465 -0.606 76 HB3 CYS 9 HB3 CYS 9 10.716 -4.735 -0.360 77 HA PRO 10 HA PRO 10 8.698 -4.883 4.369 78 HB2 PRO 10 HB2 PRO 10 7.773 -2.651 2.611 79 HB3 PRO 10 HB3 PRO 10 7.972 -2.694 4.368 80 HG2 PRO 10 HG2 PRO 10 9.774 -1.478 2.866 81 HG3 PRO 10 HG3 PRO 10 10.284 -2.475 4.245 82 HD2 PRO 10 HD2 PRO 10 10.393 -3.067 1.324 83 HD3 PRO 10 HD3 PRO 10 11.528 -3.500 2.621 84 H CYS 11 H CYS 11 7.946 -4.874 0.919 85 HA CYS 11 HA CYS 11 5.370 -6.088 1.639 86 HB2 CYS 11 HB2 CYS 11 6.054 -4.352 -0.716 87 HB3 CYS 11 HB3 CYS 11 4.564 -5.288 -0.652 88 H ARG 12 H ARG 12 4.629 -7.812 0.541 89 HA ARG 12 HA ARG 12 6.639 -9.338 -0.981 90 HB2 ARG 12 HB2 ARG 12 4.370 -10.354 0.733 91 HB3 ARG 12 HB3 ARG 12 5.598 -11.334 -0.056 92 HG2 ARG 12 HG2 ARG 12 7.316 -10.384 1.351 93 HG3 ARG 12 HG3 ARG 12 6.143 -9.298 2.088 94 HD2 ARG 12 HD2 ARG 12 4.905 -11.265 2.917 95 HD3 ARG 12 HD3 ARG 12 6.172 -12.307 2.260 96 HE ARG 12 HE ARG 12 7.582 -10.647 3.751 97 HH11 ARG 12 HH11 ARG 12 4.667 -12.471 4.519 98 HH12 ARG 12 HH12 ARG 12 4.966 -12.570 6.184 99 HH21 ARG 12 HH21 ARG 12 8.022 -10.767 6.036 100 HH22 ARG 12 HH22 ARG 12 6.938 -11.568 7.078 101 H PHE 13 H PHE 13 3.258 -8.383 -0.641 102 HA PHE 13 HA PHE 13 2.837 -9.098 -3.441 103 HB2 PHE 13 HB2 PHE 13 0.869 -9.560 -1.175 104 HB3 PHE 13 HB3 PHE 13 0.529 -9.796 -2.884 105 HD1 PHE 13 HD1 PHE 13 1.654 -11.633 -4.114 106 HD2 PHE 13 HD2 PHE 13 2.008 -11.196 0.101 107 HE1 PHE 13 HE1 PHE 13 2.444 -13.948 -3.947 108 HE2 PHE 13 HE2 PHE 13 2.804 -13.510 0.277 109 HZ PHE 13 HZ PHE 13 3.021 -14.893 -1.753 110 H PHE 14 H PHE 14 1.745 -7.582 -4.570 111 HA PHE 14 HA PHE 14 0.740 -5.172 -3.142 112 HB2 PHE 14 HB2 PHE 14 2.002 -5.389 -5.861 113 HB3 PHE 14 HB3 PHE 14 1.394 -3.913 -5.128 114 HD1 PHE 14 HD1 PHE 14 2.707 -2.869 -3.319 115 HD2 PHE 14 HD2 PHE 14 4.116 -6.263 -5.433 116 HE1 PHE 14 HE1 PHE 14 4.957 -2.383 -2.564 117 HE2 PHE 14 HE2 PHE 14 6.391 -5.801 -4.678 118 HZ PHE 14 HZ PHE 14 6.836 -3.851 -3.233 119 H GLU 15 H GLU 15 -1.211 -4.432 -3.897 120 HA GLU 15 HA GLU 15 -2.487 -6.254 -5.722 121 HB2 GLU 15 HB2 GLU 15 -3.655 -4.030 -4.056 122 HB3 GLU 15 HB3 GLU 15 -4.595 -4.875 -5.286 123 HG2 GLU 15 HG2 GLU 15 -4.134 -6.963 -4.187 124 HG3 GLU 15 HG3 GLU 15 -3.277 -6.135 -2.881 125 H SER 16 H SER 16 -2.889 -5.983 -7.718 126 HA SER 16 HA SER 16 -1.953 -3.535 -8.998 127 HB2 SER 16 HB2 SER 16 -0.886 -5.701 -9.650 128 HB3 SER 16 HB3 SER 16 -2.458 -6.305 -10.149 129 HG SER 16 HG SER 16 -0.982 -4.159 -11.278 130 H HIS 17 H HIS 17 -4.637 -4.313 -7.716 131 HA HIS 17 HA HIS 17 -6.224 -2.817 -9.592 132 HB2 HIS 17 HB2 HIS 17 -6.562 -5.245 -10.233 133 HB3 HIS 17 HB3 HIS 17 -7.191 -5.525 -8.621 134 HD1 HIS 17 HD1 HIS 17 -8.166 -4.484 -11.960 135 HD2 HIS 17 HD2 HIS 17 -9.720 -4.118 -8.134 136 HE1 HIS 17 HE1 HIS 17 -10.586 -3.915 -12.273 137 HE2 HIS 17 HE2 HIS 17 -11.405 -3.417 -9.964 138 H VAL 18 H VAL 18 -6.363 -1.227 -8.048 139 HA VAL 18 HA VAL 18 -7.659 -1.971 -5.527 140 HB VAL 18 HB VAL 18 -5.461 0.078 -5.879 141 HG11 VAL 18 HG11 VAL 18 -6.851 -0.848 -3.349 142 HG12 VAL 18 HG12 VAL 18 -7.027 0.734 -4.105 143 HG13 VAL 18 HG13 VAL 18 -5.480 0.259 -3.403 144 HG21 VAL 18 HG21 VAL 18 -4.067 -1.423 -4.481 145 HG22 VAL 18 HG22 VAL 18 -4.550 -2.171 -5.999 146 HG23 VAL 18 HG23 VAL 18 -5.357 -2.618 -4.503 147 H ALA 19 H ALA 19 -9.159 -0.358 -4.731 148 HA ALA 19 HA ALA 19 -9.887 1.645 -6.732 149 HB1 ALA 19 HB1 ALA 19 -11.455 0.450 -4.449 150 HB2 ALA 19 HB2 ALA 19 -11.650 0.052 -6.157 151 HB3 ALA 19 HB3 ALA 19 -12.062 1.666 -5.572 152 H ARG 20 H ARG 20 -9.593 3.740 -6.231 153 HA ARG 20 HA ARG 20 -8.178 4.377 -3.878 154 HB2 ARG 20 HB2 ARG 20 -7.861 5.579 -5.980 155 HB3 ARG 20 HB3 ARG 20 -9.473 6.241 -5.868 156 HG2 ARG 20 HG2 ARG 20 -8.884 7.529 -3.918 157 HG3 ARG 20 HG3 ARG 20 -7.293 6.763 -3.841 158 HD2 ARG 20 HD2 ARG 20 -6.733 7.695 -5.977 159 HD3 ARG 20 HD3 ARG 20 -8.308 8.500 -6.091 160 HE ARG 20 HE ARG 20 -7.007 9.262 -3.712 161 HH11 ARG 20 HH11 ARG 20 -6.682 9.752 -7.228 162 HH12 ARG 20 HH12 ARG 20 -5.906 11.255 -7.079 163 HH21 ARG 20 HH21 ARG 20 -5.938 11.362 -3.543 164 HH22 ARG 20 HH22 ARG 20 -5.491 12.195 -4.950 165 H ALA 21 H ALA 21 -11.502 4.303 -4.620 166 HA ALA 21 HA ALA 21 -12.288 5.900 -2.347 167 HB1 ALA 21 HB1 ALA 21 -13.963 4.108 -4.101 168 HB2 ALA 21 HB2 ALA 21 -13.701 5.835 -4.352 169 HB3 ALA 21 HB3 ALA 21 -14.576 5.270 -2.926 170 H ASN 22 H ASN 22 -11.116 2.747 -2.682 171 HA ASN 22 HA ASN 22 -12.674 1.734 -0.379 172 HB2 ASN 22 HB2 ASN 22 -12.617 0.403 -2.537 173 HB3 ASN 22 HB3 ASN 22 -10.880 0.260 -2.337 174 HD21 ASN 22 HD21 ASN 22 -10.095 -1.203 -0.822 175 HD22 ASN 22 HD22 ASN 22 -11.101 -2.379 -0.063 176 H VAL 23 H VAL 23 -9.746 3.191 -1.140 177 HA VAL 23 HA VAL 23 -8.318 1.872 1.035 178 HB VAL 23 HB VAL 23 -7.023 2.230 -1.019 179 HG11 VAL 23 HG11 VAL 23 -8.158 4.222 -1.858 180 HG12 VAL 23 HG12 VAL 23 -6.407 4.452 -1.790 181 HG13 VAL 23 HG13 VAL 23 -7.440 5.168 -0.556 182 HG21 VAL 23 HG21 VAL 23 -5.075 3.288 -0.034 183 HG22 VAL 23 HG22 VAL 23 -5.911 2.275 1.148 184 HG23 VAL 23 HG23 VAL 23 -6.098 4.017 1.210 185 H LYS 24 H LYS 24 -8.053 2.641 2.918 186 HA LYS 24 HA LYS 24 -9.451 4.990 3.786 187 HB2 LYS 24 HB2 LYS 24 -9.454 2.936 5.103 188 HB3 LYS 24 HB3 LYS 24 -7.709 3.016 5.263 189 HG2 LYS 24 HG2 LYS 24 -7.947 5.132 6.499 190 HG3 LYS 24 HG3 LYS 24 -9.698 4.977 6.383 191 HD2 LYS 24 HD2 LYS 24 -7.834 3.032 7.743 192 HD3 LYS 24 HD3 LYS 24 -8.867 4.207 8.558 193 HE2 LYS 24 HE2 LYS 24 -10.839 3.082 7.516 194 HE3 LYS 24 HE3 LYS 24 -9.746 1.860 6.879 195 HZ1 LYS 24 HZ1 LYS 24 -10.155 2.482 9.734 196 HZ2 LYS 24 HZ2 LYS 24 -9.126 1.276 9.163 197 HZ3 LYS 24 HZ3 LYS 24 -10.794 1.158 8.928 198 H HIS 25 H HIS 25 -6.073 3.854 4.112 199 HA HIS 25 HA HIS 25 -5.324 6.664 3.956 200 HB2 HIS 25 HB2 HIS 25 -3.561 6.447 5.616 201 HB3 HIS 25 HB3 HIS 25 -5.096 6.001 6.344 202 HD1 HIS 25 HD1 HIS 25 -3.627 4.912 8.234 203 HD2 HIS 25 HD2 HIS 25 -3.092 3.140 4.518 204 HE1 HIS 25 HE1 HIS 25 -2.273 2.843 8.648 205 HE2 HIS 25 HE2 HIS 25 -1.979 1.765 6.463 206 H LEU 26 H LEU 26 -3.477 7.184 2.911 207 HA LEU 26 HA LEU 26 -2.200 4.975 1.485 208 HB2 LEU 26 HB2 LEU 26 -2.331 7.936 0.846 209 HB3 LEU 26 HB3 LEU 26 -1.306 6.808 0.000 210 HG LEU 26 HG LEU 26 -3.193 7.311 -1.355 211 HD11 LEU 26 HD11 LEU 26 -4.149 5.112 -1.754 212 HD12 LEU 26 HD12 LEU 26 -3.450 4.554 -0.232 213 HD13 LEU 26 HD13 LEU 26 -2.396 5.083 -1.544 214 HD21 LEU 26 HD21 LEU 26 -4.789 8.052 0.334 215 HD22 LEU 26 HD22 LEU 26 -4.960 6.400 0.923 216 HD23 LEU 26 HD23 LEU 26 -5.522 6.821 -0.695 217 H LYS 27 H LYS 27 -0.186 4.502 2.026 218 HA LYS 27 HA LYS 27 1.510 6.575 3.171 219 HB2 LYS 27 HB2 LYS 27 0.707 5.268 5.059 220 HB3 LYS 27 HB3 LYS 27 1.113 3.748 4.319 221 HG2 LYS 27 HG2 LYS 27 3.525 4.468 4.381 222 HG3 LYS 27 HG3 LYS 27 3.011 5.898 5.270 223 HD2 LYS 27 HD2 LYS 27 2.631 3.032 6.170 224 HD3 LYS 27 HD3 LYS 27 3.858 4.145 6.770 225 HE2 LYS 27 HE2 LYS 27 2.056 5.634 7.586 226 HE3 LYS 27 HE3 LYS 27 0.869 4.455 7.028 227 HZ1 LYS 27 HZ1 LYS 27 2.929 3.982 9.118 228 HZ2 LYS 27 HZ2 LYS 27 1.822 2.836 8.594 229 HZ3 LYS 27 HZ3 LYS 27 1.291 4.206 9.397 230 H ILE 28 H ILE 28 3.340 6.620 1.977 231 HA ILE 28 HA ILE 28 3.858 4.210 0.423 232 HB ILE 28 HB ILE 28 4.378 7.071 -0.460 233 HG12 ILE 28 HG12 ILE 28 2.429 4.969 -1.393 234 HG13 ILE 28 HG13 ILE 28 2.017 6.460 -0.560 235 HG21 ILE 28 HG21 ILE 28 6.107 5.492 -1.254 236 HG22 ILE 28 HG22 ILE 28 5.089 6.075 -2.577 237 HG23 ILE 28 HG23 ILE 28 4.825 4.460 -1.910 238 HD11 ILE 28 HD11 ILE 28 3.168 6.183 -3.326 239 HD12 ILE 28 HD12 ILE 28 2.808 7.727 -2.536 240 HD13 ILE 28 HD13 ILE 28 1.510 6.592 -2.922 241 H LEU 29 H LEU 29 5.734 3.283 0.557 242 HA LEU 29 HA LEU 29 7.707 4.541 2.310 243 HB2 LEU 29 HB2 LEU 29 6.564 2.655 3.329 244 HB3 LEU 29 HB3 LEU 29 6.952 1.661 1.943 245 HG LEU 29 HG LEU 29 9.330 1.745 2.524 246 HD11 LEU 29 HD11 LEU 29 10.019 2.654 4.699 247 HD12 LEU 29 HD12 LEU 29 8.405 3.323 4.911 248 HD13 LEU 29 HD13 LEU 29 9.429 3.906 3.600 249 HD21 LEU 29 HD21 LEU 29 9.197 0.380 4.537 250 HD22 LEU 29 HD22 LEU 29 7.940 -0.053 3.377 251 HD23 LEU 29 HD23 LEU 29 7.537 0.916 4.792 252 H ASN 30 H ASN 30 9.347 5.198 1.082 253 HA ASN 30 HA ASN 30 10.190 3.588 -1.186 254 HB2 ASN 30 HB2 ASN 30 11.905 5.366 -1.590 255 HB3 ASN 30 HB3 ASN 30 10.281 6.032 -1.518 256 HD21 ASN 30 HD21 ASN 30 9.731 7.368 0.169 257 HD22 ASN 30 HD22 ASN 30 10.889 8.035 1.254 258 H THR 31 H THR 31 11.885 2.215 -1.125 259 HA THR 31 HA THR 31 13.046 1.944 1.540 260 HB THR 31 HB THR 31 12.535 -0.177 -0.533 261 HG1 THR 31 HG1 THR 31 10.813 1.097 0.912 262 HG21 THR 31 HG21 THR 31 12.875 -1.725 1.336 263 HG22 THR 31 HG22 THR 31 13.224 -0.364 2.402 264 HG23 THR 31 HG23 THR 31 14.322 -0.738 1.067 265 HA PRO 32 HA PRO 32 16.959 3.091 -0.356 266 HB2 PRO 32 HB2 PRO 32 18.555 1.636 1.404 267 HB3 PRO 32 HB3 PRO 32 17.985 3.274 1.684 268 HG2 PRO 32 HG2 PRO 32 16.866 0.686 2.659 269 HG3 PRO 32 HG3 PRO 32 17.022 2.237 3.505 270 HD2 PRO 32 HD2 PRO 32 14.688 1.447 2.582 271 HD3 PRO 32 HD3 PRO 32 15.173 3.151 2.413 272 H ASN 33 H ASN 33 16.362 -0.288 0.391 273 HA ASN 33 HA ASN 33 18.244 -1.042 -1.743 274 HB2 ASN 33 HB2 ASN 33 18.592 -3.199 -0.477 275 HB3 ASN 33 HB3 ASN 33 19.213 -1.757 0.305 276 HD21 ASN 33 HD21 ASN 33 18.237 -0.996 2.142 277 HD22 ASN 33 HD22 ASN 33 17.155 -1.921 3.094 278 H CYS 34 H CYS 34 15.138 -0.662 -1.548 279 HA CYS 34 HA CYS 34 14.555 -2.952 -3.141 280 HB2 CYS 34 HB2 CYS 34 13.005 -1.953 -0.777 281 HB3 CYS 34 HB3 CYS 34 12.299 -2.973 -2.015 282 H ALA 35 H ALA 35 12.229 -2.456 -4.091 283 HA ALA 35 HA ALA 35 12.468 -0.000 -5.518 284 HB1 ALA 35 HB1 ALA 35 10.394 -0.733 -6.618 285 HB2 ALA 35 HB2 ALA 35 10.209 -2.012 -5.421 286 HB3 ALA 35 HB3 ALA 35 11.563 -2.047 -6.549 287 H LEU 36 H LEU 36 9.814 0.809 -5.691 288 HA LEU 36 HA LEU 36 9.509 2.236 -3.189 289 HB2 LEU 36 HB2 LEU 36 9.586 3.411 -5.363 290 HB3 LEU 36 HB3 LEU 36 8.202 2.511 -5.914 291 HG LEU 36 HG LEU 36 7.736 4.883 -5.380 292 HD11 LEU 36 HD11 LEU 36 5.912 3.318 -5.315 293 HD12 LEU 36 HD12 LEU 36 5.715 4.562 -4.086 294 HD13 LEU 36 HD13 LEU 36 6.259 2.950 -3.626 295 HD21 LEU 36 HD21 LEU 36 7.657 5.622 -3.056 296 HD22 LEU 36 HD22 LEU 36 9.291 5.176 -3.541 297 HD23 LEU 36 HD23 LEU 36 8.336 4.079 -2.542 298 H GLN 37 H GLN 37 8.137 1.397 -1.635 299 HA GLN 37 HA GLN 37 5.997 -0.382 -2.551 300 HB2 GLN 37 HB2 GLN 37 7.287 -0.116 0.166 301 HB3 GLN 37 HB3 GLN 37 5.692 -0.806 0.007 302 HG2 GLN 37 HG2 GLN 37 7.081 -2.663 0.120 303 HG3 GLN 37 HG3 GLN 37 6.801 -2.493 -1.596 304 HE21 GLN 37 HE21 GLN 37 8.709 -0.327 -1.755 305 HE22 GLN 37 HE22 GLN 37 10.255 -1.067 -1.645 306 H ILE 38 H ILE 38 3.905 -0.034 -2.096 307 HA ILE 38 HA ILE 38 3.238 2.532 -0.838 308 HB ILE 38 HB ILE 38 1.779 1.009 -2.992 309 HG12 ILE 38 HG12 ILE 38 3.193 3.666 -3.176 310 HG13 ILE 38 HG13 ILE 38 3.817 2.143 -3.792 311 HG21 ILE 38 HG21 ILE 38 0.196 2.133 -1.543 312 HG22 ILE 38 HG22 ILE 38 0.261 2.977 -3.091 313 HG23 ILE 38 HG23 ILE 38 1.076 3.651 -1.685 314 HD11 ILE 38 HD11 ILE 38 1.347 3.567 -4.691 315 HD12 ILE 38 HD12 ILE 38 1.921 2.007 -5.326 316 HD13 ILE 38 HD13 ILE 38 2.877 3.482 -5.550 317 H VAL 39 H VAL 39 1.981 2.312 0.931 318 HA VAL 39 HA VAL 39 0.816 -0.324 1.447 319 HB VAL 39 HB VAL 39 1.709 1.777 3.440 320 HG11 VAL 39 HG11 VAL 39 0.761 -1.047 3.888 321 HG12 VAL 39 HG12 VAL 39 -0.120 0.423 4.289 322 HG13 VAL 39 HG13 VAL 39 1.375 0.035 5.134 323 HG21 VAL 39 HG21 VAL 39 3.648 0.798 2.347 324 HG22 VAL 39 HG22 VAL 39 3.051 -0.823 2.697 325 HG23 VAL 39 HG23 VAL 39 3.545 0.239 4.016 326 H ALA 40 H ALA 40 -1.260 -0.402 1.738 327 HA ALA 40 HA ALA 40 -2.846 2.079 2.079 328 HB1 ALA 40 HB1 ALA 40 -2.836 1.429 -0.247 329 HB2 ALA 40 HB2 ALA 40 -4.415 1.156 0.488 330 HB3 ALA 40 HB3 ALA 40 -3.333 -0.204 0.204 331 H ARG 41 H ARG 41 -4.745 1.759 3.130 332 HA ARG 41 HA ARG 41 -5.141 -0.945 4.192 333 HB2 ARG 41 HB2 ARG 41 -4.242 0.923 5.870 334 HB3 ARG 41 HB3 ARG 41 -5.889 1.469 5.761 335 HG2 ARG 41 HG2 ARG 41 -6.769 -0.552 6.617 336 HG3 ARG 41 HG3 ARG 41 -5.189 -1.338 6.545 337 HD2 ARG 41 HD2 ARG 41 -4.358 0.427 8.023 338 HD3 ARG 41 HD3 ARG 41 -6.078 0.922 8.219 339 HE ARG 41 HE ARG 41 -6.039 -1.700 8.865 340 HH11 ARG 41 HH11 ARG 41 -4.353 1.185 10.124 341 HH12 ARG 41 HH12 ARG 41 -3.996 0.501 11.632 342 HH21 ARG 41 HH21 ARG 41 -5.538 -2.630 11.035 343 HH22 ARG 41 HH22 ARG 41 -4.681 -1.693 12.147 344 H LEU 42 H LEU 42 -7.134 -1.594 4.046 345 HA LEU 42 HA LEU 42 -8.871 -0.092 2.276 346 HB2 LEU 42 HB2 LEU 42 -9.460 -2.683 3.676 347 HB3 LEU 42 HB3 LEU 42 -10.221 -2.039 2.252 348 HG LEU 42 HG LEU 42 -7.408 -3.073 2.446 349 HD11 LEU 42 HD11 LEU 42 -8.202 -4.767 0.884 350 HD12 LEU 42 HD12 LEU 42 -9.833 -4.114 1.040 351 HD13 LEU 42 HD13 LEU 42 -9.022 -4.815 2.448 352 HD21 LEU 42 HD21 LEU 42 -7.257 -2.700 0.037 353 HD22 LEU 42 HD22 LEU 42 -7.500 -1.178 0.894 354 HD23 LEU 42 HD23 LEU 42 -8.845 -1.945 0.045 355 H LYS 43 H LYS 43 -10.854 0.684 2.642 356 HA LYS 43 HA LYS 43 -11.238 1.919 5.125 357 HB2 LYS 43 HB2 LYS 43 -12.901 1.653 2.671 358 HB3 LYS 43 HB3 LYS 43 -13.465 2.608 4.017 359 HG2 LYS 43 HG2 LYS 43 -11.393 3.955 3.831 360 HG3 LYS 43 HG3 LYS 43 -10.962 3.013 2.408 361 HD2 LYS 43 HD2 LYS 43 -11.987 5.147 1.806 362 HD3 LYS 43 HD3 LYS 43 -12.982 3.789 1.283 363 HE2 LYS 43 HE2 LYS 43 -14.464 4.087 3.130 364 HE3 LYS 43 HE3 LYS 43 -13.402 5.318 3.828 365 HZ1 LYS 43 HZ1 LYS 43 -15.330 6.236 2.683 366 HZ2 LYS 43 HZ2 LYS 43 -14.829 5.546 1.227 367 HZ3 LYS 43 HZ3 LYS 43 -13.895 6.745 1.990 368 H ASN 44 H ASN 44 -13.326 -0.440 3.538 369 HA ASN 44 HA ASN 44 -14.785 -0.743 6.016 370 HB2 ASN 44 HB2 ASN 44 -16.086 -0.766 3.985 371 HB3 ASN 44 HB3 ASN 44 -15.151 -2.111 3.344 372 HD21 ASN 44 HD21 ASN 44 -17.600 -1.156 5.637 373 HD22 ASN 44 HD22 ASN 44 -18.179 -2.745 5.961 374 H ASN 45 H ASN 45 -12.503 -2.642 4.198 375 HA ASN 45 HA ASN 45 -12.841 -4.933 5.924 376 HB2 ASN 45 HB2 ASN 45 -12.360 -5.217 3.512 377 HB3 ASN 45 HB3 ASN 45 -10.796 -4.452 3.742 378 HD21 ASN 45 HD21 ASN 45 -9.729 -6.306 2.985 379 HD22 ASN 45 HD22 ASN 45 -9.608 -7.720 3.945 380 H ASN 46 H ASN 46 -10.768 -2.183 5.775 381 HA ASN 46 HA ASN 46 -9.195 -1.276 7.163 382 HB2 ASN 46 HB2 ASN 46 -10.923 -2.050 8.931 383 HB3 ASN 46 HB3 ASN 46 -9.847 -3.406 9.209 384 HD21 ASN 46 HD21 ASN 46 -9.313 -2.820 11.289 385 HD22 ASN 46 HD22 ASN 46 -8.352 -1.434 11.658 386 H ARG 47 H ARG 47 -8.722 -4.003 5.661 387 HA ARG 47 HA ARG 47 -6.382 -4.970 6.864 388 HB2 ARG 47 HB2 ARG 47 -7.943 -5.491 4.479 389 HB3 ARG 47 HB3 ARG 47 -6.231 -5.829 4.347 390 HG2 ARG 47 HG2 ARG 47 -7.838 -7.623 5.031 391 HG3 ARG 47 HG3 ARG 47 -6.310 -7.505 5.929 392 HD2 ARG 47 HD2 ARG 47 -9.011 -6.439 6.837 393 HD3 ARG 47 HD3 ARG 47 -8.278 -8.005 7.206 394 HE ARG 47 HE ARG 47 -6.393 -6.326 8.032 395 HH11 ARG 47 HH11 ARG 47 -9.864 -6.453 8.703 396 HH12 ARG 47 HH12 ARG 47 -9.717 -5.934 10.315 397 HH21 ARG 47 HH21 ARG 47 -6.193 -5.610 10.294 398 HH22 ARG 47 HH22 ARG 47 -7.614 -5.428 11.209 399 H GLN 48 H GLN 48 -4.446 -4.610 6.448 400 HA GLN 48 HA GLN 48 -3.916 -2.323 4.766 401 HB2 GLN 48 HB2 GLN 48 -3.245 -2.090 7.113 402 HB3 GLN 48 HB3 GLN 48 -2.162 -3.480 6.925 403 HG2 GLN 48 HG2 GLN 48 -0.917 -2.311 5.338 404 HG3 GLN 48 HG3 GLN 48 -2.173 -1.059 5.325 405 HE21 GLN 48 HE21 GLN 48 0.461 -2.436 7.115 406 HE22 GLN 48 HE22 GLN 48 0.697 -1.117 8.204 407 H VAL 49 H VAL 49 -3.031 -2.686 2.897 408 HA VAL 49 HA VAL 49 -1.445 -5.102 2.454 409 HB VAL 49 HB VAL 49 -2.503 -5.336 0.221 410 HG11 VAL 49 HG11 VAL 49 -4.651 -6.252 0.960 411 HG12 VAL 49 HG12 VAL 49 -4.472 -5.412 2.503 412 HG13 VAL 49 HG13 VAL 49 -3.341 -6.691 2.057 413 HG21 VAL 49 HG21 VAL 49 -3.228 -3.024 -0.098 414 HG22 VAL 49 HG22 VAL 49 -4.415 -3.204 1.196 415 HG23 VAL 49 HG23 VAL 49 -4.578 -4.133 -0.299 416 H CYS 50 H CYS 50 -0.548 -4.795 0.057 417 HA CYS 50 HA CYS 50 0.598 -2.105 0.026 418 HB2 CYS 50 HB2 CYS 50 1.788 -4.626 -1.173 419 HB3 CYS 50 HB3 CYS 50 2.503 -3.038 -1.099 420 H ILE 51 H ILE 51 0.770 -1.050 -1.900 421 HA ILE 51 HA ILE 51 -0.969 -2.049 -4.033 422 HB ILE 51 HB ILE 51 -0.251 0.829 -3.411 423 HG12 ILE 51 HG12 ILE 51 -2.697 -0.808 -2.830 424 HG13 ILE 51 HG13 ILE 51 -1.680 0.060 -1.728 425 HG21 ILE 51 HG21 ILE 51 -0.635 0.472 -5.775 426 HG22 ILE 51 HG22 ILE 51 -1.974 1.385 -5.066 427 HG23 ILE 51 HG23 ILE 51 -2.163 -0.334 -5.416 428 HD11 ILE 51 HD11 ILE 51 -2.375 2.218 -2.579 429 HD12 ILE 51 HD12 ILE 51 -3.796 1.283 -2.097 430 HD13 ILE 51 HD13 ILE 51 -3.377 1.439 -3.799 431 H ASP 52 H ASP 52 -0.263 -1.973 -6.080 432 HA ASP 52 HA ASP 52 2.570 -2.007 -6.466 433 HB2 ASP 52 HB2 ASP 52 1.183 -3.608 -7.400 434 HB3 ASP 52 HB3 ASP 52 0.238 -2.421 -8.332 435 HA PRO 53 HA PRO 53 2.825 2.292 -7.471 436 HB2 PRO 53 HB2 PRO 53 5.254 2.254 -8.710 437 HB3 PRO 53 HB3 PRO 53 5.038 2.213 -6.958 438 HG2 PRO 53 HG2 PRO 53 5.530 -0.042 -8.858 439 HG3 PRO 53 HG3 PRO 53 6.257 0.252 -7.265 440 HD2 PRO 53 HD2 PRO 53 4.278 -1.519 -7.606 441 HD3 PRO 53 HD3 PRO 53 4.390 -0.528 -6.136 442 H LYS 54 H LYS 54 2.628 -0.167 -9.882 443 HA LYS 54 HA LYS 54 2.838 1.778 -11.982 444 HB2 LYS 54 HB2 LYS 54 2.575 -1.211 -12.078 445 HB3 LYS 54 HB3 LYS 54 2.477 -0.217 -13.519 446 HG2 LYS 54 HG2 LYS 54 4.867 -0.150 -11.686 447 HG3 LYS 54 HG3 LYS 54 4.706 -1.354 -12.957 448 HD2 LYS 54 HD2 LYS 54 6.100 0.486 -13.747 449 HD3 LYS 54 HD3 LYS 54 4.593 0.478 -14.640 450 HE2 LYS 54 HE2 LYS 54 3.788 2.352 -13.373 451 HE3 LYS 54 HE3 LYS 54 5.225 2.337 -12.317 452 HZ1 LYS 54 HZ1 LYS 54 5.383 4.033 -13.959 453 HZ2 LYS 54 HZ2 LYS 54 4.955 2.999 -15.182 454 HZ3 LYS 54 HZ3 LYS 54 6.471 2.833 -14.451 455 H LEU 55 H LEU 55 0.365 1.080 -9.977 456 HA LEU 55 HA LEU 55 -1.721 0.739 -11.802 457 HB2 LEU 55 HB2 LEU 55 -1.581 1.835 -9.037 458 HB3 LEU 55 HB3 LEU 55 -3.086 1.731 -9.902 459 HG LEU 55 HG LEU 55 -1.319 -0.549 -9.042 460 HD11 LEU 55 HD11 LEU 55 -4.098 0.297 -8.245 461 HD12 LEU 55 HD12 LEU 55 -2.646 0.495 -7.272 462 HD13 LEU 55 HD13 LEU 55 -3.237 -1.125 -7.651 463 HD21 LEU 55 HD21 LEU 55 -3.146 -1.946 -9.878 464 HD22 LEU 55 HD22 LEU 55 -2.304 -1.098 -11.186 465 HD23 LEU 55 HD23 LEU 55 -3.881 -0.538 -10.600 466 H LYS 56 H LYS 56 -3.167 2.186 -12.625 467 HA LYS 56 HA LYS 56 -1.884 4.438 -13.744 468 HB2 LYS 56 HB2 LYS 56 -3.530 3.049 -14.934 469 HB3 LYS 56 HB3 LYS 56 -4.791 3.652 -13.871 470 HG2 LYS 56 HG2 LYS 56 -4.515 5.887 -14.757 471 HG3 LYS 56 HG3 LYS 56 -3.161 5.345 -15.754 472 HD2 LYS 56 HD2 LYS 56 -4.670 3.779 -16.908 473 HD3 LYS 56 HD3 LYS 56 -6.018 4.402 -15.956 474 HE2 LYS 56 HE2 LYS 56 -5.701 6.611 -16.928 475 HE3 LYS 56 HE3 LYS 56 -4.305 6.032 -17.834 476 HZ1 LYS 56 HZ1 LYS 56 -7.099 5.096 -18.151 477 HZ2 LYS 56 HZ2 LYS 56 -5.766 4.482 -18.986 478 HZ3 LYS 56 HZ3 LYS 56 -6.269 6.075 -19.228 479 H TRP 57 H TRP 57 -4.493 4.160 -11.317 480 HA TRP 57 HA TRP 57 -4.684 6.999 -11.082 481 HB2 TRP 57 HB2 TRP 57 -6.126 6.623 -9.141 482 HB3 TRP 57 HB3 TRP 57 -6.593 5.553 -10.450 483 HD1 TRP 57 HD1 TRP 57 -6.173 2.846 -9.999 484 HE1 TRP 57 HE1 TRP 57 -5.940 1.569 -7.845 485 HE3 TRP 57 HE3 TRP 57 -5.154 6.754 -6.861 486 HZ2 TRP 57 HZ2 TRP 57 -5.398 2.088 -5.139 487 HZ3 TRP 57 HZ3 TRP 57 -4.796 6.268 -4.475 488 HH2 TRP 57 HH2 TRP 57 -4.918 4.014 -3.625 489 H ILE 58 H ILE 58 -2.771 4.572 -9.678 490 HA ILE 58 HA ILE 58 -1.669 6.012 -7.525 491 HB ILE 58 HB ILE 58 -0.752 3.627 -9.102 492 HG12 ILE 58 HG12 ILE 58 -2.586 3.232 -7.584 493 HG13 ILE 58 HG13 ILE 58 -1.140 2.418 -7.016 494 HG21 ILE 58 HG21 ILE 58 1.033 3.241 -7.534 495 HG22 ILE 58 HG22 ILE 58 0.723 4.807 -6.786 496 HG23 ILE 58 HG23 ILE 58 1.282 4.729 -8.464 497 HD11 ILE 58 HD11 ILE 58 -0.752 4.182 -5.373 498 HD12 ILE 58 HD12 ILE 58 -2.332 3.436 -5.160 499 HD13 ILE 58 HD13 ILE 58 -2.214 5.013 -5.914 500 H GLN 59 H GLN 59 -0.700 5.643 -10.889 501 HA GLN 59 HA GLN 59 1.658 7.099 -10.890 502 HB2 GLN 59 HB2 GLN 59 -0.535 6.998 -12.927 503 HB3 GLN 59 HB3 GLN 59 1.020 7.785 -13.194 504 HG2 GLN 59 HG2 GLN 59 0.633 4.860 -12.587 505 HG3 GLN 59 HG3 GLN 59 0.905 5.534 -14.195 506 HE21 GLN 59 HE21 GLN 59 2.358 4.718 -11.148 507 HE22 GLN 59 HE22 GLN 59 3.974 5.022 -11.651 508 H GLU 60 H GLU 60 -1.643 8.299 -11.272 509 HA GLU 60 HA GLU 60 -0.995 11.024 -11.398 510 HB2 GLU 60 HB2 GLU 60 -3.510 9.649 -10.495 511 HB3 GLU 60 HB3 GLU 60 -3.361 11.387 -10.691 512 HG2 GLU 60 HG2 GLU 60 -3.006 9.325 -12.847 513 HG3 GLU 60 HG3 GLU 60 -4.419 10.356 -12.617 514 H TYR 61 H TYR 61 -1.757 8.920 -8.678 515 HA TYR 61 HA TYR 61 -1.808 10.961 -6.753 516 HB2 TYR 61 HB2 TYR 61 -2.804 8.728 -6.361 517 HB3 TYR 61 HB3 TYR 61 -1.184 8.031 -6.337 518 HD1 TYR 61 HD1 TYR 61 -3.372 10.481 -4.605 519 HD2 TYR 61 HD2 TYR 61 0.049 7.966 -4.329 520 HE1 TYR 61 HE1 TYR 61 -3.224 10.958 -2.210 521 HE2 TYR 61 HE2 TYR 61 0.215 8.429 -1.944 522 HH TYR 61 HH TYR 61 -2.319 9.938 -0.228 523 H LEU 62 H LEU 62 0.837 8.879 -7.877 524 HA LEU 62 HA LEU 62 2.699 9.982 -6.017 525 HB2 LEU 62 HB2 LEU 62 3.045 8.212 -8.393 526 HB3 LEU 62 HB3 LEU 62 4.440 8.958 -7.648 527 HG LEU 62 HG LEU 62 3.897 7.842 -5.521 528 HD11 LEU 62 HD11 LEU 62 1.707 6.563 -7.093 529 HD12 LEU 62 HD12 LEU 62 1.527 7.657 -5.730 530 HD13 LEU 62 HD13 LEU 62 2.226 6.054 -5.471 531 HD21 LEU 62 HD21 LEU 62 5.422 6.826 -7.056 532 HD22 LEU 62 HD22 LEU 62 4.086 6.015 -7.887 533 HD23 LEU 62 HD23 LEU 62 4.486 5.585 -6.214 534 H GLU 63 H GLU 63 1.720 10.868 -9.229 535 HA GLU 63 HA GLU 63 3.851 12.588 -9.824 536 HB2 GLU 63 HB2 GLU 63 2.117 11.730 -11.406 537 HB3 GLU 63 HB3 GLU 63 0.929 12.727 -10.585 538 HG2 GLU 63 HG2 GLU 63 1.620 13.754 -12.606 539 HG3 GLU 63 HG3 GLU 63 2.159 14.685 -11.194 540 H LYS 64 H LYS 64 0.712 12.943 -8.368 541 HA LYS 64 HA LYS 64 0.708 15.596 -7.573 542 HB2 LYS 64 HB2 LYS 64 -1.279 14.376 -7.432 543 HB3 LYS 64 HB3 LYS 64 -0.524 13.083 -6.517 544 HG2 LYS 64 HG2 LYS 64 -1.806 14.174 -4.977 545 HG3 LYS 64 HG3 LYS 64 -0.192 14.685 -4.709 546 HD2 LYS 64 HD2 LYS 64 -0.485 16.769 -5.934 547 HD3 LYS 64 HD3 LYS 64 -2.180 16.358 -6.223 548 HE2 LYS 64 HE2 LYS 64 -1.950 17.907 -4.341 549 HE3 LYS 64 HE3 LYS 64 -2.609 16.353 -3.830 550 HZ1 LYS 64 HZ1 LYS 64 -0.871 17.164 -2.299 551 HZ2 LYS 64 HZ2 LYS 64 0.240 17.190 -3.545 552 HZ3 LYS 64 HZ3 LYS 64 -0.405 15.723 -3.037 553 H ALA 65 H ALA 65 1.244 12.843 -5.495 554 HA ALA 65 HA ALA 65 2.123 14.195 -3.232 555 HB1 ALA 65 HB1 ALA 65 2.865 12.082 -2.341 556 HB2 ALA 65 HB2 ALA 65 2.895 11.383 -3.960 557 HB3 ALA 65 HB3 ALA 65 1.362 11.866 -3.242 558 H LEU 66 H LEU 66 4.169 13.118 -5.917 559 HA LEU 66 HA LEU 66 6.518 13.779 -4.370 560 HB2 LEU 66 HB2 LEU 66 6.278 12.789 -7.199 561 HB3 LEU 66 HB3 LEU 66 7.790 13.048 -6.350 562 HG LEU 66 HG LEU 66 5.675 11.022 -5.604 563 HD11 LEU 66 HD11 LEU 66 6.863 10.419 -7.629 564 HD12 LEU 66 HD12 LEU 66 7.325 9.369 -6.290 565 HD13 LEU 66 HD13 LEU 66 8.405 10.664 -6.809 566 HD21 LEU 66 HD21 LEU 66 6.836 11.852 -3.626 567 HD22 LEU 66 HD22 LEU 66 8.395 11.546 -4.398 568 HD23 LEU 66 HD23 LEU 66 7.329 10.202 -3.987 569 H ASN 67 H ASN 67 4.748 15.160 -7.139 570 HA ASN 67 HA ASN 67 6.800 17.178 -7.424 571 HB2 ASN 67 HB2 ASN 67 5.655 16.255 -9.430 572 HB3 ASN 67 HB3 ASN 67 4.132 16.903 -8.852 573 HD21 ASN 67 HD21 ASN 67 5.585 17.352 -11.334 574 HD22 ASN 67 HD22 ASN 67 5.863 19.048 -11.462 575 H LYS 68 H LYS 68 3.455 17.004 -6.248 576 HA LYS 68 HA LYS 68 3.766 19.767 -5.303 577 HB2 LYS 68 HB2 LYS 68 2.248 19.471 -7.287 578 HB3 LYS 68 HB3 LYS 68 1.253 18.447 -6.273 579 HG2 LYS 68 HG2 LYS 68 0.813 20.312 -4.788 580 HG3 LYS 68 HG3 LYS 68 1.852 21.355 -5.769 581 HD2 LYS 68 HD2 LYS 68 -0.558 19.892 -6.721 582 HD3 LYS 68 HD3 LYS 68 -0.553 21.622 -6.290 583 HE2 LYS 68 HE2 LYS 68 1.098 21.995 -8.118 584 HE3 LYS 68 HE3 LYS 68 1.030 20.285 -8.525 585 HZ1 LYS 68 HZ1 LYS 68 -1.228 22.203 -8.719 586 HZ2 LYS 68 HZ2 LYS 68 -1.303 20.553 -9.107 587 HZ3 LYS 68 HZ3 LYS 68 -0.330 21.572 -9.999 Start of MODEL 9 1 H LYS 1 H LYS 1 -0.171 -18.977 8.572 2 HA LYS 1 HA LYS 1 -0.489 -19.374 5.683 3 HB2 LYS 1 HB2 LYS 1 1.073 -17.296 7.240 4 HB3 LYS 1 HB3 LYS 1 1.118 -17.519 5.500 5 HG2 LYS 1 HG2 LYS 1 -1.236 -16.908 5.349 6 HG3 LYS 1 HG3 LYS 1 -1.303 -16.701 7.101 7 HD2 LYS 1 HD2 LYS 1 -1.063 -14.537 5.975 8 HD3 LYS 1 HD3 LYS 1 0.361 -14.902 6.947 9 HE2 LYS 1 HE2 LYS 1 1.578 -15.590 4.962 10 HE3 LYS 1 HE3 LYS 1 0.146 -15.347 3.963 11 HZ1 LYS 1 HZ1 LYS 1 0.244 -12.989 4.495 12 HZ2 LYS 1 HZ2 LYS 1 1.682 -13.500 3.787 13 HZ3 LYS 1 HZ3 LYS 1 1.631 -13.231 5.436 14 HA PRO 2 HA PRO 2 2.791 -22.232 6.605 15 HB2 PRO 2 HB2 PRO 2 3.275 -23.013 4.039 16 HB3 PRO 2 HB3 PRO 2 1.909 -23.622 4.982 17 HG2 PRO 2 HG2 PRO 2 1.967 -21.487 2.891 18 HG3 PRO 2 HG3 PRO 2 0.753 -22.743 3.179 19 HD2 PRO 2 HD2 PRO 2 0.454 -20.166 3.968 20 HD3 PRO 2 HD3 PRO 2 -0.293 -21.532 4.819 21 H VAL 3 H VAL 3 4.481 -21.137 7.252 22 HA VAL 3 HA VAL 3 6.452 -20.145 7.316 23 HB VAL 3 HB VAL 3 6.656 -20.778 4.357 24 HG11 VAL 3 HG11 VAL 3 8.185 -18.965 4.986 25 HG12 VAL 3 HG12 VAL 3 9.079 -20.446 4.646 26 HG13 VAL 3 HG13 VAL 3 8.809 -19.944 6.313 27 HG21 VAL 3 HG21 VAL 3 8.038 -22.657 5.105 28 HG22 VAL 3 HG22 VAL 3 6.413 -22.751 5.784 29 HG23 VAL 3 HG23 VAL 3 7.757 -22.197 6.784 30 H SER 4 H SER 4 5.891 -18.212 7.918 31 HA SER 4 HA SER 4 6.179 -16.143 5.926 32 HB2 SER 4 HB2 SER 4 3.936 -16.214 7.962 33 HB3 SER 4 HB3 SER 4 4.319 -14.833 6.930 34 HG SER 4 HG SER 4 4.097 -17.131 5.533 35 H LEU 5 H LEU 5 8.225 -15.829 6.679 36 HA LEU 5 HA LEU 5 8.511 -14.185 8.997 37 HB2 LEU 5 HB2 LEU 5 8.533 -16.447 9.996 38 HB3 LEU 5 HB3 LEU 5 9.816 -16.917 8.903 39 HG LEU 5 HG LEU 5 11.273 -15.209 9.976 40 HD11 LEU 5 HD11 LEU 5 10.618 -14.316 12.148 41 HD12 LEU 5 HD12 LEU 5 8.997 -14.986 11.928 42 HD13 LEU 5 HD13 LEU 5 9.591 -13.729 10.842 43 HD21 LEU 5 HD21 LEU 5 11.667 -16.503 12.012 44 HD22 LEU 5 HD22 LEU 5 11.413 -17.542 10.611 45 HD23 LEU 5 HD23 LEU 5 10.119 -17.314 11.788 46 H SER 6 H SER 6 10.599 -13.186 8.967 47 HA SER 6 HA SER 6 12.438 -12.320 8.139 48 HB2 SER 6 HB2 SER 6 12.740 -14.934 6.644 49 HB3 SER 6 HB3 SER 6 14.009 -13.731 6.879 50 HG SER 6 HG SER 6 13.340 -15.709 8.480 51 H TYR 7 H TYR 7 11.561 -10.644 7.078 52 HA TYR 7 HA TYR 7 11.324 -11.011 4.190 53 HB2 TYR 7 HB2 TYR 7 9.623 -9.251 5.951 54 HB3 TYR 7 HB3 TYR 7 9.614 -9.195 4.194 55 HD1 TYR 7 HD1 TYR 7 8.830 -11.218 2.931 56 HD2 TYR 7 HD2 TYR 7 8.366 -10.851 7.143 57 HE1 TYR 7 HE1 TYR 7 7.119 -12.978 2.890 58 HE2 TYR 7 HE2 TYR 7 6.655 -12.613 7.112 59 HH TYR 7 HH TYR 7 5.091 -13.533 5.497 60 H ARG 8 H ARG 8 12.913 -10.053 3.249 61 HA ARG 8 HA ARG 8 14.523 -8.010 4.423 62 HB2 ARG 8 HB2 ARG 8 15.640 -7.918 2.243 63 HB3 ARG 8 HB3 ARG 8 15.400 -9.586 2.743 64 HG2 ARG 8 HG2 ARG 8 13.462 -9.766 1.280 65 HG3 ARG 8 HG3 ARG 8 13.658 -8.081 0.815 66 HD2 ARG 8 HD2 ARG 8 15.867 -8.625 -0.125 67 HD3 ARG 8 HD3 ARG 8 15.607 -10.321 0.298 68 HE ARG 8 HE ARG 8 13.420 -9.567 -1.169 69 HH11 ARG 8 HH11 ARG 8 16.889 -9.789 -1.766 70 HH12 ARG 8 HH12 ARG 8 16.732 -10.023 -3.441 71 HH21 ARG 8 HH21 ARG 8 13.189 -9.903 -3.445 72 HH22 ARG 8 HH22 ARG 8 14.577 -10.101 -4.418 73 H CYS 9 H CYS 9 11.597 -7.963 3.012 74 HA CYS 9 HA CYS 9 11.708 -5.105 2.407 75 HB2 CYS 9 HB2 CYS 9 10.356 -7.256 0.783 76 HB3 CYS 9 HB3 CYS 9 10.107 -5.533 0.550 77 HA PRO 10 HA PRO 10 8.034 -4.865 5.019 78 HB2 PRO 10 HB2 PRO 10 7.270 -2.815 2.965 79 HB3 PRO 10 HB3 PRO 10 7.277 -2.686 4.729 80 HG2 PRO 10 HG2 PRO 10 9.177 -1.539 3.293 81 HG3 PRO 10 HG3 PRO 10 9.568 -2.356 4.820 82 HD2 PRO 10 HD2 PRO 10 10.013 -3.282 2.012 83 HD3 PRO 10 HD3 PRO 10 11.027 -3.492 3.455 84 H CYS 11 H CYS 11 7.880 -5.043 1.462 85 HA CYS 11 HA CYS 11 5.543 -6.793 1.698 86 HB2 CYS 11 HB2 CYS 11 5.886 -4.564 -0.323 87 HB3 CYS 11 HB3 CYS 11 4.605 -5.745 -0.342 88 H ARG 12 H ARG 12 5.638 -8.500 0.266 89 HA ARG 12 HA ARG 12 7.609 -8.313 -1.893 90 HB2 ARG 12 HB2 ARG 12 6.883 -10.806 -0.326 91 HB3 ARG 12 HB3 ARG 12 7.848 -10.814 -1.790 92 HG2 ARG 12 HG2 ARG 12 9.488 -9.330 -0.597 93 HG3 ARG 12 HG3 ARG 12 8.559 -9.610 0.873 94 HD2 ARG 12 HD2 ARG 12 10.453 -11.137 0.767 95 HD3 ARG 12 HD3 ARG 12 8.940 -12.033 0.640 96 HE ARG 12 HE ARG 12 9.679 -11.531 -1.949 97 HH11 ARG 12 HH11 ARG 12 11.286 -13.189 0.771 98 HH12 ARG 12 HH12 ARG 12 12.097 -14.299 -0.235 99 HH21 ARG 12 HH21 ARG 12 10.863 -13.067 -3.304 100 HH22 ARG 12 HH22 ARG 12 11.852 -14.228 -2.558 101 H PHE 13 H PHE 13 4.612 -7.931 -1.363 102 HA PHE 13 HA PHE 13 3.760 -9.083 -3.886 103 HB2 PHE 13 HB2 PHE 13 1.679 -9.922 -2.952 104 HB3 PHE 13 HB3 PHE 13 2.983 -10.613 -2.002 105 HD1 PHE 13 HD1 PHE 13 3.551 -9.442 0.217 106 HD2 PHE 13 HD2 PHE 13 -0.065 -8.775 -1.919 107 HE1 PHE 13 HE1 PHE 13 2.511 -8.553 2.260 108 HE2 PHE 13 HE2 PHE 13 -1.113 -7.883 0.116 109 HZ PHE 13 HZ PHE 13 0.173 -7.771 2.210 110 H PHE 14 H PHE 14 2.008 -7.785 -4.775 111 HA PHE 14 HA PHE 14 1.269 -5.366 -3.286 112 HB2 PHE 14 HB2 PHE 14 2.041 -5.487 -6.178 113 HB3 PHE 14 HB3 PHE 14 1.467 -4.053 -5.336 114 HD1 PHE 14 HD1 PHE 14 3.019 -3.447 -3.188 115 HD2 PHE 14 HD2 PHE 14 4.268 -5.674 -6.599 116 HE1 PHE 14 HE1 PHE 14 5.339 -2.881 -2.703 117 HE2 PHE 14 HE2 PHE 14 6.598 -5.118 -6.112 118 HZ PHE 14 HZ PHE 14 7.149 -3.715 -4.160 119 H GLU 15 H GLU 15 -0.853 -4.673 -3.682 120 HA GLU 15 HA GLU 15 -2.454 -6.638 -4.957 121 HB2 GLU 15 HB2 GLU 15 -2.810 -5.911 -2.634 122 HB3 GLU 15 HB3 GLU 15 -3.006 -4.262 -3.202 123 HG2 GLU 15 HG2 GLU 15 -5.010 -5.269 -2.720 124 HG3 GLU 15 HG3 GLU 15 -4.914 -4.903 -4.458 125 H SER 16 H SER 16 -3.827 -5.986 -6.600 126 HA SER 16 HA SER 16 -3.302 -3.344 -7.735 127 HB2 SER 16 HB2 SER 16 -2.091 -5.193 -8.953 128 HB3 SER 16 HB3 SER 16 -3.659 -5.909 -9.308 129 HG SER 16 HG SER 16 -2.358 -3.865 -10.477 130 H HIS 17 H HIS 17 -5.110 -2.938 -9.487 131 HA HIS 17 HA HIS 17 -7.319 -2.359 -9.811 132 HB2 HIS 17 HB2 HIS 17 -7.447 -4.842 -10.284 133 HB3 HIS 17 HB3 HIS 17 -7.909 -5.091 -8.604 134 HD1 HIS 17 HD1 HIS 17 -10.369 -4.972 -8.119 135 HD2 HIS 17 HD2 HIS 17 -9.389 -3.172 -11.738 136 HE1 HIS 17 HE1 HIS 17 -12.524 -4.270 -9.126 137 HE2 HIS 17 HE2 HIS 17 -11.953 -3.337 -11.368 138 H VAL 18 H VAL 18 -5.962 -1.817 -7.259 139 HA VAL 18 HA VAL 18 -7.836 -1.929 -5.139 140 HB VAL 18 HB VAL 18 -5.547 0.010 -5.487 141 HG11 VAL 18 HG11 VAL 18 -6.964 -0.954 -2.982 142 HG12 VAL 18 HG12 VAL 18 -7.057 0.656 -3.682 143 HG13 VAL 18 HG13 VAL 18 -5.537 0.084 -2.996 144 HG21 VAL 18 HG21 VAL 18 -4.193 -1.589 -4.184 145 HG22 VAL 18 HG22 VAL 18 -4.738 -2.275 -5.716 146 HG23 VAL 18 HG23 VAL 18 -5.544 -2.724 -4.210 147 H ALA 19 H ALA 19 -9.248 -0.239 -4.354 148 HA ALA 19 HA ALA 19 -9.825 1.790 -6.360 149 HB1 ALA 19 HB1 ALA 19 -11.494 0.587 -4.153 150 HB2 ALA 19 HB2 ALA 19 -11.671 0.277 -5.882 151 HB3 ALA 19 HB3 ALA 19 -12.023 1.875 -5.227 152 H ARG 20 H ARG 20 -9.345 3.854 -5.810 153 HA ARG 20 HA ARG 20 -8.096 4.478 -3.353 154 HB2 ARG 20 HB2 ARG 20 -7.780 5.726 -5.487 155 HB3 ARG 20 HB3 ARG 20 -9.405 6.369 -5.316 156 HG2 ARG 20 HG2 ARG 20 -8.721 7.490 -3.226 157 HG3 ARG 20 HG3 ARG 20 -7.103 6.838 -3.441 158 HD2 ARG 20 HD2 ARG 20 -7.194 9.120 -4.246 159 HD3 ARG 20 HD3 ARG 20 -6.877 7.979 -5.554 160 HE ARG 20 HE ARG 20 -9.634 8.747 -5.106 161 HH11 ARG 20 HH11 ARG 20 -6.715 9.229 -7.074 162 HH12 ARG 20 HH12 ARG 20 -7.526 9.990 -8.364 163 HH21 ARG 20 HH21 ARG 20 -10.749 9.832 -6.914 164 HH22 ARG 20 HH22 ARG 20 -9.840 10.350 -8.261 165 H ALA 21 H ALA 21 -11.342 4.465 -4.458 166 HA ALA 21 HA ALA 21 -12.541 5.958 -2.386 167 HB1 ALA 21 HB1 ALA 21 -13.763 3.811 -4.115 168 HB2 ALA 21 HB2 ALA 21 -13.674 5.528 -4.517 169 HB3 ALA 21 HB3 ALA 21 -14.641 4.992 -3.143 170 H ASN 22 H ASN 22 -10.952 2.986 -2.247 171 HA ASN 22 HA ASN 22 -12.410 2.188 0.207 172 HB2 ASN 22 HB2 ASN 22 -12.539 0.600 -1.752 173 HB3 ASN 22 HB3 ASN 22 -10.788 0.462 -1.651 174 HD21 ASN 22 HD21 ASN 22 -10.717 -1.569 -1.108 175 HD22 ASN 22 HD22 ASN 22 -11.298 -2.291 0.347 176 H VAL 23 H VAL 23 -9.661 3.740 -0.871 177 HA VAL 23 HA VAL 23 -7.893 2.414 1.020 178 HB VAL 23 HB VAL 23 -7.437 4.747 -0.834 179 HG11 VAL 23 HG11 VAL 23 -5.043 4.409 -0.271 180 HG12 VAL 23 HG12 VAL 23 -5.552 3.274 1.001 181 HG13 VAL 23 HG13 VAL 23 -6.014 4.964 1.088 182 HG21 VAL 23 HG21 VAL 23 -6.044 3.171 -2.091 183 HG22 VAL 23 HG22 VAL 23 -7.719 2.631 -1.989 184 HG23 VAL 23 HG23 VAL 23 -6.494 1.892 -0.961 185 H LYS 24 H LYS 24 -7.711 2.957 2.992 186 HA LYS 24 HA LYS 24 -9.098 5.275 4.033 187 HB2 LYS 24 HB2 LYS 24 -8.930 2.802 4.987 188 HB3 LYS 24 HB3 LYS 24 -7.436 3.394 5.686 189 HG2 LYS 24 HG2 LYS 24 -10.183 4.561 6.198 190 HG3 LYS 24 HG3 LYS 24 -9.314 3.455 7.255 191 HD2 LYS 24 HD2 LYS 24 -7.598 5.069 7.578 192 HD3 LYS 24 HD3 LYS 24 -8.363 6.168 6.421 193 HE2 LYS 24 HE2 LYS 24 -8.866 6.866 8.721 194 HE3 LYS 24 HE3 LYS 24 -10.326 6.348 7.889 195 HZ1 LYS 24 HZ1 LYS 24 -10.246 5.496 10.119 196 HZ2 LYS 24 HZ2 LYS 24 -8.774 4.734 9.854 197 HZ3 LYS 24 HZ3 LYS 24 -10.161 4.211 9.043 198 H HIS 25 H HIS 25 -5.752 4.066 3.772 199 HA HIS 25 HA HIS 25 -4.879 6.829 4.075 200 HB2 HIS 25 HB2 HIS 25 -3.322 6.498 5.860 201 HB3 HIS 25 HB3 HIS 25 -4.706 5.554 6.373 202 HD1 HIS 25 HD1 HIS 25 -1.343 5.502 6.711 203 HD2 HIS 25 HD2 HIS 25 -3.890 2.652 5.143 204 HE1 HIS 25 HE1 HIS 25 -0.207 3.254 7.002 205 HE2 HIS 25 HE2 HIS 25 -1.962 1.687 6.540 206 H LEU 26 H LEU 26 -3.168 7.338 2.823 207 HA LEU 26 HA LEU 26 -2.050 5.196 1.183 208 HB2 LEU 26 HB2 LEU 26 -2.008 8.206 0.888 209 HB3 LEU 26 HB3 LEU 26 -1.026 7.150 -0.092 210 HG LEU 26 HG LEU 26 -2.893 7.890 -1.359 211 HD11 LEU 26 HD11 LEU 26 -3.941 5.771 -2.001 212 HD12 LEU 26 HD12 LEU 26 -3.192 5.020 -0.590 213 HD13 LEU 26 HD13 LEU 26 -2.185 5.700 -1.859 214 HD21 LEU 26 HD21 LEU 26 -4.461 8.477 0.400 215 HD22 LEU 26 HD22 LEU 26 -4.677 6.773 0.807 216 HD23 LEU 26 HD23 LEU 26 -5.230 7.385 -0.753 217 H LYS 27 H LYS 27 -0.019 4.522 1.530 218 HA LYS 27 HA LYS 27 1.822 6.297 2.927 219 HB2 LYS 27 HB2 LYS 27 0.770 4.660 4.560 220 HB3 LYS 27 HB3 LYS 27 1.313 3.383 3.517 221 HG2 LYS 27 HG2 LYS 27 3.621 3.880 3.960 222 HG3 LYS 27 HG3 LYS 27 3.170 5.300 4.901 223 HD2 LYS 27 HD2 LYS 27 3.728 3.393 6.364 224 HD3 LYS 27 HD3 LYS 27 2.044 3.891 6.542 225 HE2 LYS 27 HE2 LYS 27 1.289 2.052 5.199 226 HE3 LYS 27 HE3 LYS 27 2.958 1.594 4.802 227 HZ1 LYS 27 HZ1 LYS 27 3.248 1.114 7.206 228 HZ2 LYS 27 HZ2 LYS 27 2.069 0.152 6.486 229 HZ3 LYS 27 HZ3 LYS 27 1.615 1.442 7.450 230 H ILE 28 H ILE 28 3.614 6.388 1.622 231 HA ILE 28 HA ILE 28 4.121 3.979 0.058 232 HB ILE 28 HB ILE 28 4.880 6.814 -0.693 233 HG12 ILE 28 HG12 ILE 28 2.878 4.901 -1.894 234 HG13 ILE 28 HG13 ILE 28 2.495 6.390 -1.038 235 HG21 ILE 28 HG21 ILE 28 6.565 5.151 -1.412 236 HG22 ILE 28 HG22 ILE 28 5.688 5.784 -2.811 237 HG23 ILE 28 HG23 ILE 28 5.275 4.198 -2.161 238 HD11 ILE 28 HD11 ILE 28 3.897 6.138 -3.690 239 HD12 ILE 28 HD12 ILE 28 3.540 7.667 -2.873 240 HD13 ILE 28 HD13 ILE 28 2.226 6.624 -3.437 241 H LEU 29 H LEU 29 5.946 2.969 0.400 242 HA LEU 29 HA LEU 29 7.706 4.280 2.288 243 HB2 LEU 29 HB2 LEU 29 6.385 2.513 3.284 244 HB3 LEU 29 HB3 LEU 29 6.982 1.385 2.083 245 HG LEU 29 HG LEU 29 9.193 1.460 3.000 246 HD11 LEU 29 HD11 LEU 29 9.719 2.845 4.974 247 HD12 LEU 29 HD12 LEU 29 8.096 3.540 4.920 248 HD13 LEU 29 HD13 LEU 29 9.237 3.850 3.615 249 HD21 LEU 29 HD21 LEU 29 8.734 0.545 5.220 250 HD22 LEU 29 HD22 LEU 29 7.572 -0.038 4.030 251 HD23 LEU 29 HD23 LEU 29 7.113 1.233 5.166 252 H ASN 30 H ASN 30 9.540 4.722 1.557 253 HA ASN 30 HA ASN 30 10.705 3.511 -0.815 254 HB2 ASN 30 HB2 ASN 30 11.914 5.560 1.072 255 HB3 ASN 30 HB3 ASN 30 12.298 5.270 -0.622 256 HD21 ASN 30 HD21 ASN 30 11.414 7.650 0.922 257 HD22 ASN 30 HD22 ASN 30 10.041 8.245 0.081 258 H THR 31 H THR 31 11.969 1.618 -0.447 259 HA THR 31 HA THR 31 12.974 1.418 2.265 260 HB THR 31 HB THR 31 12.125 -0.730 0.332 261 HG1 THR 31 HG1 THR 31 10.670 0.804 1.617 262 HG21 THR 31 HG21 THR 31 12.361 -2.235 2.167 263 HG22 THR 31 HG22 THR 31 12.925 -0.934 3.230 264 HG23 THR 31 HG23 THR 31 13.916 -1.446 1.846 265 HA PRO 32 HA PRO 32 16.966 2.116 0.593 266 HB2 PRO 32 HB2 PRO 32 18.441 0.702 2.465 267 HB3 PRO 32 HB3 PRO 32 17.853 2.354 2.665 268 HG2 PRO 32 HG2 PRO 32 16.657 -0.215 3.627 269 HG3 PRO 32 HG3 PRO 32 16.808 1.335 4.479 270 HD2 PRO 32 HD2 PRO 32 14.498 0.597 3.445 271 HD3 PRO 32 HD3 PRO 32 15.044 2.282 3.309 272 H ASN 33 H ASN 33 16.247 -1.248 1.423 273 HA ASN 33 HA ASN 33 18.172 -2.036 -0.663 274 HB2 ASN 33 HB2 ASN 33 17.387 -3.643 1.802 275 HB3 ASN 33 HB3 ASN 33 18.519 -4.142 0.564 276 HD21 ASN 33 HD21 ASN 33 17.993 -2.137 3.316 277 HD22 ASN 33 HD22 ASN 33 19.626 -1.629 3.525 278 H CYS 34 H CYS 34 15.203 -1.413 -0.716 279 HA CYS 34 HA CYS 34 14.469 -3.816 -2.150 280 HB2 CYS 34 HB2 CYS 34 13.339 -3.679 0.317 281 HB3 CYS 34 HB3 CYS 34 12.414 -2.471 -0.490 282 H ALA 35 H ALA 35 12.248 -3.262 -3.197 283 HA ALA 35 HA ALA 35 12.751 -0.991 -4.887 284 HB1 ALA 35 HB1 ALA 35 10.864 -1.831 -6.171 285 HB2 ALA 35 HB2 ALA 35 10.469 -2.947 -4.862 286 HB3 ALA 35 HB3 ALA 35 11.958 -3.163 -5.779 287 H LEU 36 H LEU 36 10.277 -0.085 -5.509 288 HA LEU 36 HA LEU 36 9.765 1.447 -3.133 289 HB2 LEU 36 HB2 LEU 36 10.163 2.566 -5.326 290 HB3 LEU 36 HB3 LEU 36 8.712 1.817 -5.948 291 HG LEU 36 HG LEU 36 8.518 4.263 -5.314 292 HD11 LEU 36 HD11 LEU 36 6.517 2.872 -5.536 293 HD12 LEU 36 HD12 LEU 36 6.335 4.056 -4.238 294 HD13 LEU 36 HD13 LEU 36 6.687 2.369 -3.853 295 HD21 LEU 36 HD21 LEU 36 8.289 4.790 -2.935 296 HD22 LEU 36 HD22 LEU 36 9.901 4.166 -3.304 297 HD23 LEU 36 HD23 LEU 36 8.714 3.129 -2.529 298 H GLN 37 H GLN 37 8.335 0.778 -1.789 299 HA GLN 37 HA GLN 37 6.124 -0.896 -2.724 300 HB2 GLN 37 HB2 GLN 37 7.523 -0.595 -0.104 301 HB3 GLN 37 HB3 GLN 37 6.002 -1.445 -0.277 302 HG2 GLN 37 HG2 GLN 37 6.954 -3.238 -1.247 303 HG3 GLN 37 HG3 GLN 37 8.088 -2.245 -2.157 304 HE21 GLN 37 HE21 GLN 37 9.254 -0.861 -0.143 305 HE22 GLN 37 HE22 GLN 37 10.193 -1.874 0.823 306 H ILE 38 H ILE 38 4.179 -0.042 -2.719 307 HA ILE 38 HA ILE 38 3.620 2.333 -1.108 308 HB ILE 38 HB ILE 38 2.024 0.967 -3.283 309 HG12 ILE 38 HG12 ILE 38 3.592 3.544 -3.428 310 HG13 ILE 38 HG13 ILE 38 4.090 2.008 -4.119 311 HG21 ILE 38 HG21 ILE 38 0.544 2.124 -1.758 312 HG22 ILE 38 HG22 ILE 38 0.611 3.020 -3.277 313 HG23 ILE 38 HG23 ILE 38 1.501 3.592 -1.870 314 HD11 ILE 38 HD11 ILE 38 1.661 3.595 -4.892 315 HD12 ILE 38 HD12 ILE 38 2.165 2.047 -5.605 316 HD13 ILE 38 HD13 ILE 38 3.173 3.488 -5.790 317 H VAL 39 H VAL 39 2.097 2.152 0.537 318 HA VAL 39 HA VAL 39 0.808 -0.465 0.859 319 HB VAL 39 HB VAL 39 1.963 1.185 3.110 320 HG11 VAL 39 HG11 VAL 39 0.694 -1.553 3.135 321 HG12 VAL 39 HG12 VAL 39 0.013 -0.077 3.798 322 HG13 VAL 39 HG13 VAL 39 1.454 -0.775 4.519 323 HG21 VAL 39 HG21 VAL 39 3.777 0.181 1.835 324 HG22 VAL 39 HG22 VAL 39 3.008 -1.404 1.954 325 HG23 VAL 39 HG23 VAL 39 3.628 -0.609 3.404 326 H ALA 40 H ALA 40 -1.304 -0.345 1.288 327 HA ALA 40 HA ALA 40 -2.463 2.213 2.190 328 HB1 ALA 40 HB1 ALA 40 -2.670 2.146 -0.239 329 HB2 ALA 40 HB2 ALA 40 -4.247 1.961 0.540 330 HB3 ALA 40 HB3 ALA 40 -3.420 0.558 -0.122 331 H ARG 41 H ARG 41 -4.233 1.987 3.412 332 HA ARG 41 HA ARG 41 -4.907 -0.789 4.096 333 HB2 ARG 41 HB2 ARG 41 -4.114 0.881 6.077 334 HB3 ARG 41 HB3 ARG 41 -5.622 1.596 5.729 335 HG2 ARG 41 HG2 ARG 41 -6.960 -0.102 6.419 336 HG3 ARG 41 HG3 ARG 41 -5.694 -1.314 6.282 337 HD2 ARG 41 HD2 ARG 41 -6.204 -0.836 8.604 338 HD3 ARG 41 HD3 ARG 41 -4.562 -0.376 8.149 339 HE ARG 41 HE ARG 41 -5.365 1.962 8.087 340 HH11 ARG 41 HH11 ARG 41 -7.338 -0.337 9.955 341 HH12 ARG 41 HH12 ARG 41 -7.870 0.834 11.055 342 HH21 ARG 41 HH21 ARG 41 -6.115 3.558 9.622 343 HH22 ARG 41 HH22 ARG 41 -7.183 3.095 10.864 344 H LEU 42 H LEU 42 -6.823 -1.484 3.668 345 HA LEU 42 HA LEU 42 -8.578 0.190 2.131 346 HB2 LEU 42 HB2 LEU 42 -9.007 -2.620 3.162 347 HB3 LEU 42 HB3 LEU 42 -9.938 -1.817 1.919 348 HG LEU 42 HG LEU 42 -7.032 -2.580 1.693 349 HD11 LEU 42 HD11 LEU 42 -7.815 -4.222 0.071 350 HD12 LEU 42 HD12 LEU 42 -9.480 -3.790 0.470 351 HD13 LEU 42 HD13 LEU 42 -8.438 -4.520 1.691 352 HD21 LEU 42 HD21 LEU 42 -7.278 -1.980 -0.673 353 HD22 LEU 42 HD22 LEU 42 -7.516 -0.591 0.387 354 HD23 LEU 42 HD23 LEU 42 -8.909 -1.388 -0.347 355 H LYS 43 H LYS 43 -10.472 0.999 2.746 356 HA LYS 43 HA LYS 43 -10.833 1.697 5.465 357 HB2 LYS 43 HB2 LYS 43 -12.742 1.989 3.146 358 HB3 LYS 43 HB3 LYS 43 -12.942 2.824 4.666 359 HG2 LYS 43 HG2 LYS 43 -10.671 3.844 4.232 360 HG3 LYS 43 HG3 LYS 43 -10.782 3.175 2.613 361 HD2 LYS 43 HD2 LYS 43 -12.592 5.262 3.866 362 HD3 LYS 43 HD3 LYS 43 -11.435 5.437 2.544 363 HE2 LYS 43 HE2 LYS 43 -12.748 3.999 1.146 364 HE3 LYS 43 HE3 LYS 43 -13.916 3.757 2.447 365 HZ1 LYS 43 HZ1 LYS 43 -14.443 6.117 2.353 366 HZ2 LYS 43 HZ2 LYS 43 -14.610 5.433 0.804 367 HZ3 LYS 43 HZ3 LYS 43 -13.272 6.360 1.169 368 H ASN 44 H ASN 44 -12.824 -0.292 3.280 369 HA ASN 44 HA ASN 44 -14.610 -1.052 5.406 370 HB2 ASN 44 HB2 ASN 44 -15.528 -0.741 3.200 371 HB3 ASN 44 HB3 ASN 44 -14.446 -1.943 2.521 372 HD21 ASN 44 HD21 ASN 44 -16.092 -3.199 1.716 373 HD22 ASN 44 HD22 ASN 44 -17.142 -4.135 2.709 374 H ASN 45 H ASN 45 -11.958 -2.649 3.704 375 HA ASN 45 HA ASN 45 -12.631 -5.093 5.168 376 HB2 ASN 45 HB2 ASN 45 -12.035 -5.170 2.699 377 HB3 ASN 45 HB3 ASN 45 -10.371 -4.830 3.171 378 HD21 ASN 45 HD21 ASN 45 -9.628 -6.842 2.390 379 HD22 ASN 45 HD22 ASN 45 -10.014 -8.311 3.181 380 H ASN 46 H ASN 46 -10.509 -2.441 5.515 381 HA ASN 46 HA ASN 46 -8.905 -1.870 7.050 382 HB2 ASN 46 HB2 ASN 46 -10.648 -2.789 8.640 383 HB3 ASN 46 HB3 ASN 46 -9.846 -4.348 8.551 384 HD21 ASN 46 HD21 ASN 46 -9.380 -4.386 10.751 385 HD22 ASN 46 HD22 ASN 46 -8.213 -3.335 11.466 386 H ARG 47 H ARG 47 -8.509 -4.115 4.988 387 HA ARG 47 HA ARG 47 -6.161 -5.389 6.042 388 HB2 ARG 47 HB2 ARG 47 -7.305 -5.334 3.279 389 HB3 ARG 47 HB3 ARG 47 -5.846 -6.203 3.723 390 HG2 ARG 47 HG2 ARG 47 -8.358 -6.500 5.090 391 HG3 ARG 47 HG3 ARG 47 -8.008 -7.510 3.635 392 HD2 ARG 47 HD2 ARG 47 -5.965 -8.190 4.984 393 HD3 ARG 47 HD3 ARG 47 -6.757 -7.326 6.324 394 HE ARG 47 HE ARG 47 -8.576 -9.157 5.277 395 HH11 ARG 47 HH11 ARG 47 -5.554 -9.265 7.112 396 HH12 ARG 47 HH12 ARG 47 -5.940 -10.749 7.880 397 HH21 ARG 47 HH21 ARG 47 -9.077 -11.129 6.342 398 HH22 ARG 47 HH22 ARG 47 -7.973 -11.825 7.445 399 H GLN 48 H GLN 48 -4.348 -4.735 5.895 400 HA GLN 48 HA GLN 48 -3.866 -2.327 4.387 401 HB2 GLN 48 HB2 GLN 48 -3.101 -2.448 6.798 402 HB3 GLN 48 HB3 GLN 48 -1.920 -3.666 6.280 403 HG2 GLN 48 HG2 GLN 48 -0.967 -2.079 4.802 404 HG3 GLN 48 HG3 GLN 48 -2.275 -0.970 5.231 405 HE21 GLN 48 HE21 GLN 48 -0.725 -2.910 7.652 406 HE22 GLN 48 HE22 GLN 48 0.112 -1.634 8.439 407 H VAL 49 H VAL 49 -3.080 -2.528 2.460 408 HA VAL 49 HA VAL 49 -1.766 -5.042 1.734 409 HB VAL 49 HB VAL 49 -2.784 -4.845 -0.496 410 HG11 VAL 49 HG11 VAL 49 -5.092 -5.419 0.097 411 HG12 VAL 49 HG12 VAL 49 -4.820 -4.791 1.721 412 HG13 VAL 49 HG13 VAL 49 -3.916 -6.196 1.158 413 HG21 VAL 49 HG21 VAL 49 -3.081 -2.423 -0.603 414 HG22 VAL 49 HG22 VAL 49 -4.314 -2.505 0.656 415 HG23 VAL 49 HG23 VAL 49 -4.608 -3.242 -0.920 416 H CYS 50 H CYS 50 -0.419 -4.805 -0.163 417 HA CYS 50 HA CYS 50 0.951 -2.241 -0.115 418 HB2 CYS 50 HB2 CYS 50 1.861 -4.798 -1.450 419 HB3 CYS 50 HB3 CYS 50 2.804 -3.396 -0.996 420 H ILE 51 H ILE 51 1.386 -1.262 -2.161 421 HA ILE 51 HA ILE 51 -0.488 -2.134 -4.221 422 HB ILE 51 HB ILE 51 0.022 0.694 -3.297 423 HG12 ILE 51 HG12 ILE 51 -2.344 -1.130 -3.286 424 HG13 ILE 51 HG13 ILE 51 -1.520 -0.437 -1.915 425 HG21 ILE 51 HG21 ILE 51 -0.078 0.709 -5.714 426 HG22 ILE 51 HG22 ILE 51 -1.545 1.422 -5.028 427 HG23 ILE 51 HG23 ILE 51 -1.568 -0.231 -5.659 428 HD11 ILE 51 HD11 ILE 51 -2.266 1.814 -2.531 429 HD12 ILE 51 HD12 ILE 51 -3.636 0.730 -2.282 430 HD13 ILE 51 HD13 ILE 51 -3.125 1.149 -3.916 431 H ASP 52 H ASP 52 0.046 -2.002 -6.249 432 HA ASP 52 HA ASP 52 2.780 -1.964 -6.991 433 HB2 ASP 52 HB2 ASP 52 1.263 -3.428 -7.976 434 HB3 ASP 52 HB3 ASP 52 0.215 -2.142 -8.560 435 HA PRO 53 HA PRO 53 2.935 2.425 -7.637 436 HB2 PRO 53 HB2 PRO 53 5.394 2.542 -8.760 437 HB3 PRO 53 HB3 PRO 53 5.140 2.251 -7.035 438 HG2 PRO 53 HG2 PRO 53 5.714 0.277 -9.217 439 HG3 PRO 53 HG3 PRO 53 6.394 0.364 -7.581 440 HD2 PRO 53 HD2 PRO 53 4.410 -1.344 -8.269 441 HD3 PRO 53 HD3 PRO 53 4.571 -0.656 -6.638 442 H LYS 54 H LYS 54 2.296 0.247 -10.024 443 HA LYS 54 HA LYS 54 2.568 2.289 -12.067 444 HB2 LYS 54 HB2 LYS 54 2.531 -0.698 -12.345 445 HB3 LYS 54 HB3 LYS 54 2.450 0.391 -13.721 446 HG2 LYS 54 HG2 LYS 54 4.724 0.480 -11.757 447 HG3 LYS 54 HG3 LYS 54 4.716 -0.658 -13.095 448 HD2 LYS 54 HD2 LYS 54 6.029 1.338 -13.663 449 HD3 LYS 54 HD3 LYS 54 4.608 1.202 -14.681 450 HE2 LYS 54 HE2 LYS 54 3.501 2.945 -13.473 451 HE3 LYS 54 HE3 LYS 54 4.815 3.034 -12.268 452 HZ1 LYS 54 HZ1 LYS 54 4.893 4.796 -13.894 453 HZ2 LYS 54 HZ2 LYS 54 4.929 3.683 -15.160 454 HZ3 LYS 54 HZ3 LYS 54 6.230 3.783 -14.082 455 H LEU 55 H LEU 55 0.266 1.279 -10.032 456 HA LEU 55 HA LEU 55 -1.920 0.860 -11.719 457 HB2 LEU 55 HB2 LEU 55 -1.591 1.953 -8.982 458 HB3 LEU 55 HB3 LEU 55 -3.165 1.940 -9.697 459 HG LEU 55 HG LEU 55 -1.445 -0.479 -9.038 460 HD11 LEU 55 HD11 LEU 55 -4.075 0.467 -7.891 461 HD12 LEU 55 HD12 LEU 55 -2.495 0.679 -7.130 462 HD13 LEU 55 HD13 LEU 55 -3.138 -0.943 -7.383 463 HD21 LEU 55 HD21 LEU 55 -3.412 -1.794 -9.650 464 HD22 LEU 55 HD22 LEU 55 -2.791 -0.909 -11.050 465 HD23 LEU 55 HD23 LEU 55 -4.223 -0.334 -10.185 466 H LYS 56 H LYS 56 -3.454 2.269 -12.452 467 HA LYS 56 HA LYS 56 -2.331 4.574 -13.624 468 HB2 LYS 56 HB2 LYS 56 -5.204 3.679 -13.592 469 HB3 LYS 56 HB3 LYS 56 -4.517 4.930 -14.623 470 HG2 LYS 56 HG2 LYS 56 -3.036 3.278 -15.658 471 HG3 LYS 56 HG3 LYS 56 -3.727 2.023 -14.636 472 HD2 LYS 56 HD2 LYS 56 -4.706 1.973 -16.855 473 HD3 LYS 56 HD3 LYS 56 -5.924 2.413 -15.662 474 HE2 LYS 56 HE2 LYS 56 -6.094 3.799 -17.671 475 HE3 LYS 56 HE3 LYS 56 -5.671 4.775 -16.272 476 HZ1 LYS 56 HZ1 LYS 56 -4.387 5.365 -18.192 477 HZ2 LYS 56 HZ2 LYS 56 -3.787 3.810 -18.358 478 HZ3 LYS 56 HZ3 LYS 56 -3.353 4.747 -17.021 479 H TRP 57 H TRP 57 -4.751 4.191 -11.048 480 HA TRP 57 HA TRP 57 -5.002 7.024 -10.814 481 HB2 TRP 57 HB2 TRP 57 -6.350 6.655 -8.825 482 HB3 TRP 57 HB3 TRP 57 -6.826 5.516 -10.068 483 HD1 TRP 57 HD1 TRP 57 -6.350 2.861 -9.528 484 HE1 TRP 57 HE1 TRP 57 -5.960 1.667 -7.343 485 HE3 TRP 57 HE3 TRP 57 -5.208 6.891 -6.584 486 HZ2 TRP 57 HZ2 TRP 57 -5.254 2.282 -4.695 487 HZ3 TRP 57 HZ3 TRP 57 -4.694 6.488 -4.214 488 HH2 TRP 57 HH2 TRP 57 -4.723 4.254 -3.284 489 H ILE 58 H ILE 58 -2.888 4.678 -9.581 490 HA ILE 58 HA ILE 58 -1.725 6.215 -7.516 491 HB ILE 58 HB ILE 58 -0.773 3.839 -9.096 492 HG12 ILE 58 HG12 ILE 58 -2.489 3.395 -7.438 493 HG13 ILE 58 HG13 ILE 58 -0.972 2.645 -6.971 494 HG21 ILE 58 HG21 ILE 58 1.144 3.598 -7.631 495 HG22 ILE 58 HG22 ILE 58 0.834 5.206 -6.951 496 HG23 ILE 58 HG23 ILE 58 1.242 5.027 -8.654 497 HD11 ILE 58 HD11 ILE 58 -0.564 4.474 -5.385 498 HD12 ILE 58 HD12 ILE 58 -2.069 3.623 -5.048 499 HD13 ILE 58 HD13 ILE 58 -2.114 5.195 -5.827 500 H GLN 59 H GLN 59 -1.191 5.983 -10.971 501 HA GLN 59 HA GLN 59 1.214 7.446 -11.036 502 HB2 GLN 59 HB2 GLN 59 -0.944 7.468 -13.141 503 HB3 GLN 59 HB3 GLN 59 0.726 7.964 -13.359 504 HG2 GLN 59 HG2 GLN 59 -0.338 5.180 -12.917 505 HG3 GLN 59 HG3 GLN 59 0.470 5.812 -14.348 506 HE21 GLN 59 HE21 GLN 59 0.800 4.572 -11.213 507 HE22 GLN 59 HE22 GLN 59 2.512 4.362 -11.169 508 H GLU 60 H GLU 60 -2.157 8.415 -11.096 509 HA GLU 60 HA GLU 60 -1.681 11.199 -11.349 510 HB2 GLU 60 HB2 GLU 60 -4.058 9.832 -10.093 511 HB3 GLU 60 HB3 GLU 60 -3.984 11.492 -10.664 512 HG2 GLU 60 HG2 GLU 60 -3.862 8.991 -12.301 513 HG3 GLU 60 HG3 GLU 60 -5.172 10.162 -12.243 514 H TYR 61 H TYR 61 -2.008 8.980 -8.663 515 HA TYR 61 HA TYR 61 -2.081 10.852 -6.602 516 HB2 TYR 61 HB2 TYR 61 -2.575 8.465 -6.211 517 HB3 TYR 61 HB3 TYR 61 -0.881 8.071 -6.519 518 HD1 TYR 61 HD1 TYR 61 -3.092 10.001 -4.273 519 HD2 TYR 61 HD2 TYR 61 0.703 8.163 -4.765 520 HE1 TYR 61 HE1 TYR 61 -2.574 10.443 -1.929 521 HE2 TYR 61 HE2 TYR 61 1.226 8.601 -2.415 522 HH TYR 61 HH TYR 61 -1.099 9.555 -0.179 523 H LEU 62 H LEU 62 0.715 9.212 -8.078 524 HA LEU 62 HA LEU 62 2.574 10.662 -6.502 525 HB2 LEU 62 HB2 LEU 62 2.921 9.025 -8.993 526 HB3 LEU 62 HB3 LEU 62 4.250 9.954 -8.340 527 HG LEU 62 HG LEU 62 4.051 8.631 -6.205 528 HD11 LEU 62 HD11 LEU 62 2.143 6.939 -7.730 529 HD12 LEU 62 HD12 LEU 62 1.758 7.994 -6.383 530 HD13 LEU 62 HD13 LEU 62 2.821 6.601 -6.134 531 HD21 LEU 62 HD21 LEU 62 5.672 8.080 -7.886 532 HD22 LEU 62 HD22 LEU 62 4.495 7.047 -8.703 533 HD23 LEU 62 HD23 LEU 62 5.065 6.629 -7.076 534 H GLU 63 H GLU 63 1.026 11.282 -9.559 535 HA GLU 63 HA GLU 63 2.633 13.373 -10.453 536 HB2 GLU 63 HB2 GLU 63 0.773 12.017 -11.623 537 HB3 GLU 63 HB3 GLU 63 -0.352 13.080 -10.810 538 HG2 GLU 63 HG2 GLU 63 1.763 13.961 -12.740 539 HG3 GLU 63 HG3 GLU 63 0.097 13.620 -13.177 540 H LYS 64 H LYS 64 -0.357 13.382 -8.454 541 HA LYS 64 HA LYS 64 -0.096 16.180 -7.964 542 HB2 LYS 64 HB2 LYS 64 -1.961 16.042 -6.469 543 HB3 LYS 64 HB3 LYS 64 -2.300 15.168 -7.947 544 HG2 LYS 64 HG2 LYS 64 -1.880 13.070 -6.782 545 HG3 LYS 64 HG3 LYS 64 -1.550 13.974 -5.298 546 HD2 LYS 64 HD2 LYS 64 -3.749 14.961 -5.394 547 HD3 LYS 64 HD3 LYS 64 -4.109 14.054 -6.861 548 HE2 LYS 64 HE2 LYS 64 -5.116 12.885 -5.029 549 HE3 LYS 64 HE3 LYS 64 -3.693 11.987 -5.588 550 HZ1 LYS 64 HZ1 LYS 64 -3.777 13.755 -3.201 551 HZ2 LYS 64 HZ2 LYS 64 -2.427 12.868 -3.709 552 HZ3 LYS 64 HZ3 LYS 64 -3.822 12.089 -3.167 553 H ALA 65 H ALA 65 1.219 13.399 -6.464 554 HA ALA 65 HA ALA 65 1.797 14.565 -3.945 555 HB1 ALA 65 HB1 ALA 65 3.407 12.753 -3.659 556 HB2 ALA 65 HB2 ALA 65 3.294 12.370 -5.378 557 HB3 ALA 65 HB3 ALA 65 1.896 12.133 -4.329 558 H LEU 66 H LEU 66 3.530 14.418 -7.004 559 HA LEU 66 HA LEU 66 5.774 15.897 -5.978 560 HB2 LEU 66 HB2 LEU 66 5.006 15.238 -8.820 561 HB3 LEU 66 HB3 LEU 66 6.526 15.960 -8.332 562 HG LEU 66 HG LEU 66 5.572 13.187 -7.607 563 HD11 LEU 66 HD11 LEU 66 6.195 13.390 -9.945 564 HD12 LEU 66 HD12 LEU 66 7.378 12.431 -9.055 565 HD13 LEU 66 HD13 LEU 66 7.741 14.103 -9.480 566 HD21 LEU 66 HD21 LEU 66 6.955 14.141 -5.824 567 HD22 LEU 66 HD22 LEU 66 8.189 14.576 -7.007 568 HD23 LEU 66 HD23 LEU 66 7.832 12.883 -6.689 569 H ASN 67 H ASN 67 2.830 16.628 -7.687 570 HA ASN 67 HA ASN 67 3.562 19.326 -8.285 571 HB2 ASN 67 HB2 ASN 67 1.849 18.273 -9.638 572 HB3 ASN 67 HB3 ASN 67 0.847 18.001 -8.219 573 HD21 ASN 67 HD21 ASN 67 2.045 20.382 -10.453 574 HD22 ASN 67 HD22 ASN 67 0.925 21.621 -10.065 575 H LYS 68 H LYS 68 1.742 17.775 -5.697 576 HA LYS 68 HA LYS 68 1.099 18.328 -3.711 577 HB2 LYS 68 HB2 LYS 68 3.026 20.653 -3.911 578 HB3 LYS 68 HB3 LYS 68 2.270 20.005 -2.456 579 HG2 LYS 68 HG2 LYS 68 3.460 17.902 -2.729 580 HG3 LYS 68 HG3 LYS 68 4.176 18.497 -4.225 581 HD2 LYS 68 HD2 LYS 68 5.280 20.293 -2.956 582 HD3 LYS 68 HD3 LYS 68 4.590 19.641 -1.469 583 HE2 LYS 68 HE2 LYS 68 5.793 17.545 -1.829 584 HE3 LYS 68 HE3 LYS 68 6.464 18.183 -3.328 585 HZ1 LYS 68 HZ1 LYS 68 6.959 19.297 -0.609 586 HZ2 LYS 68 HZ2 LYS 68 7.577 19.902 -2.053 587 HZ3 LYS 68 HZ3 LYS 68 8.042 18.381 -1.532 Start of MODEL 10 1 H LYS 1 H LYS 1 16.454 -19.941 15.478 2 HA LYS 1 HA LYS 1 17.095 -21.445 13.763 3 HB2 LYS 1 HB2 LYS 1 14.136 -21.421 13.063 4 HB3 LYS 1 HB3 LYS 1 15.409 -22.218 12.148 5 HG2 LYS 1 HG2 LYS 1 15.823 -23.731 14.007 6 HG3 LYS 1 HG3 LYS 1 14.591 -22.918 14.962 7 HD2 LYS 1 HD2 LYS 1 13.682 -24.973 14.040 8 HD3 LYS 1 HD3 LYS 1 12.895 -23.587 13.292 9 HE2 LYS 1 HE2 LYS 1 14.255 -23.814 11.324 10 HE3 LYS 1 HE3 LYS 1 15.195 -25.104 12.081 11 HZ1 LYS 1 HZ1 LYS 1 13.205 -26.447 12.141 12 HZ2 LYS 1 HZ2 LYS 1 13.550 -26.013 10.568 13 HZ3 LYS 1 HZ3 LYS 1 12.301 -25.250 11.402 14 HA PRO 2 HA PRO 2 17.184 -17.425 11.787 15 HB2 PRO 2 HB2 PRO 2 18.742 -18.598 9.605 16 HB3 PRO 2 HB3 PRO 2 19.245 -17.406 10.808 17 HG2 PRO 2 HG2 PRO 2 20.157 -19.960 10.801 18 HG3 PRO 2 HG3 PRO 2 19.973 -19.006 12.282 19 HD2 PRO 2 HD2 PRO 2 18.201 -21.143 11.160 20 HD3 PRO 2 HD3 PRO 2 18.679 -20.820 12.843 21 H VAL 3 H VAL 3 14.968 -17.748 11.368 22 HA VAL 3 HA VAL 3 14.372 -17.756 8.498 23 HB VAL 3 HB VAL 3 12.211 -18.927 8.935 24 HG11 VAL 3 HG11 VAL 3 14.614 -20.524 9.805 25 HG12 VAL 3 HG12 VAL 3 14.069 -20.276 8.149 26 HG13 VAL 3 HG13 VAL 3 13.080 -21.210 9.275 27 HG21 VAL 3 HG21 VAL 3 13.311 -19.377 11.714 28 HG22 VAL 3 HG22 VAL 3 11.842 -20.101 11.061 29 HG23 VAL 3 HG23 VAL 3 11.937 -18.356 11.289 30 H SER 4 H SER 4 14.848 -15.902 10.776 31 HA SER 4 HA SER 4 12.278 -14.717 11.398 32 HB2 SER 4 HB2 SER 4 15.078 -13.965 12.245 33 HB3 SER 4 HB3 SER 4 13.580 -13.334 12.928 34 HG SER 4 HG SER 4 13.134 -15.708 13.266 35 H LEU 5 H LEU 5 14.179 -14.606 8.839 36 HA LEU 5 HA LEU 5 14.532 -11.816 8.410 37 HB2 LEU 5 HB2 LEU 5 15.943 -13.510 7.305 38 HB3 LEU 5 HB3 LEU 5 14.542 -14.111 6.452 39 HG LEU 5 HG LEU 5 14.361 -11.973 5.234 40 HD11 LEU 5 HD11 LEU 5 16.913 -11.254 6.663 41 HD12 LEU 5 HD12 LEU 5 15.338 -10.489 6.881 42 HD13 LEU 5 HD13 LEU 5 16.180 -10.348 5.338 43 HD21 LEU 5 HD21 LEU 5 16.335 -12.271 3.828 44 HD22 LEU 5 HD22 LEU 5 15.625 -13.824 4.278 45 HD23 LEU 5 HD23 LEU 5 17.084 -13.257 5.082 46 H SER 6 H SER 6 12.937 -10.459 8.045 47 HA SER 6 HA SER 6 10.321 -11.293 7.265 48 HB2 SER 6 HB2 SER 6 9.950 -8.783 7.475 49 HB3 SER 6 HB3 SER 6 10.527 -9.600 8.930 50 HG SER 6 HG SER 6 11.644 -7.609 7.541 51 H TYR 7 H TYR 7 12.174 -11.929 5.311 52 HA TYR 7 HA TYR 7 12.591 -11.942 3.148 53 HB2 TYR 7 HB2 TYR 7 10.218 -10.085 2.933 54 HB3 TYR 7 HB3 TYR 7 11.071 -10.782 1.563 55 HD1 TYR 7 HD1 TYR 7 11.303 -13.455 1.723 56 HD2 TYR 7 HD2 TYR 7 8.294 -11.137 3.620 57 HE1 TYR 7 HE1 TYR 7 9.846 -15.418 1.794 58 HE2 TYR 7 HE2 TYR 7 6.832 -13.092 3.700 59 HH TYR 7 HH TYR 7 7.951 -16.194 3.163 60 H ARG 8 H ARG 8 12.909 -10.394 1.180 61 HA ARG 8 HA ARG 8 15.075 -8.717 1.900 62 HB2 ARG 8 HB2 ARG 8 15.224 -8.256 -0.512 63 HB3 ARG 8 HB3 ARG 8 15.102 -9.980 -0.181 64 HG2 ARG 8 HG2 ARG 8 12.702 -9.898 -0.706 65 HG3 ARG 8 HG3 ARG 8 12.857 -8.184 -1.058 66 HD2 ARG 8 HD2 ARG 8 14.364 -8.671 -2.891 67 HD3 ARG 8 HD3 ARG 8 14.309 -10.394 -2.503 68 HE ARG 8 HE ARG 8 11.703 -9.418 -2.903 69 HH11 ARG 8 HH11 ARG 8 14.600 -10.197 -4.763 70 HH12 ARG 8 HH12 ARG 8 13.752 -10.610 -6.173 71 HH21 ARG 8 HH21 ARG 8 10.540 -9.981 -4.804 72 HH22 ARG 8 HH22 ARG 8 11.362 -10.488 -6.211 73 H CYS 9 H CYS 9 11.830 -8.215 1.261 74 HA CYS 9 HA CYS 9 12.158 -5.306 1.554 75 HB2 CYS 9 HB2 CYS 9 10.240 -6.622 -0.386 76 HB3 CYS 9 HB3 CYS 9 10.489 -4.902 -0.153 77 HA PRO 10 HA PRO 10 8.956 -5.520 4.708 78 HB2 PRO 10 HB2 PRO 10 7.961 -3.119 3.222 79 HB3 PRO 10 HB3 PRO 10 8.183 -3.338 4.965 80 HG2 PRO 10 HG2 PRO 10 9.963 -1.948 3.594 81 HG3 PRO 10 HG3 PRO 10 10.499 -3.101 4.830 82 HD2 PRO 10 HD2 PRO 10 10.565 -3.360 1.851 83 HD3 PRO 10 HD3 PRO 10 11.715 -3.954 3.062 84 H CYS 11 H CYS 11 7.970 -4.819 1.340 85 HA CYS 11 HA CYS 11 5.656 -6.572 1.813 86 HB2 CYS 11 HB2 CYS 11 5.991 -4.319 -0.180 87 HB3 CYS 11 HB3 CYS 11 4.668 -5.467 -0.230 88 H ARG 12 H ARG 12 5.332 -8.195 0.434 89 HA ARG 12 HA ARG 12 7.341 -8.654 -1.669 90 HB2 ARG 12 HB2 ARG 12 7.411 -10.310 0.174 91 HB3 ARG 12 HB3 ARG 12 5.716 -10.676 -0.098 92 HG2 ARG 12 HG2 ARG 12 6.261 -11.510 -2.333 93 HG3 ARG 12 HG3 ARG 12 7.963 -11.157 -2.040 94 HD2 ARG 12 HD2 ARG 12 7.951 -12.725 -0.147 95 HD3 ARG 12 HD3 ARG 12 6.256 -13.085 -0.460 96 HE ARG 12 HE ARG 12 7.712 -13.491 -2.800 97 HH11 ARG 12 HH11 ARG 12 7.323 -15.038 0.397 98 HH12 ARG 12 HH12 ARG 12 7.760 -16.569 -0.175 99 HH21 ARG 12 HH21 ARG 12 8.292 -15.581 -3.527 100 HH22 ARG 12 HH22 ARG 12 8.346 -16.904 -2.448 101 H PHE 13 H PHE 13 3.995 -8.663 -0.739 102 HA PHE 13 HA PHE 13 3.166 -9.212 -3.490 103 HB2 PHE 13 HB2 PHE 13 0.976 -9.740 -2.551 104 HB3 PHE 13 HB3 PHE 13 2.199 -10.661 -1.689 105 HD1 PHE 13 HD1 PHE 13 2.870 -9.933 0.620 106 HD2 PHE 13 HD2 PHE 13 -0.418 -8.174 -1.432 107 HE1 PHE 13 HE1 PHE 13 2.040 -9.015 2.740 108 HE2 PHE 13 HE2 PHE 13 -1.253 -7.253 0.687 109 HZ PHE 13 HZ PHE 13 -0.024 -7.671 2.777 110 H PHE 14 H PHE 14 1.940 -7.671 -4.547 111 HA PHE 14 HA PHE 14 1.062 -5.274 -3.059 112 HB2 PHE 14 HB2 PHE 14 2.191 -5.376 -5.821 113 HB3 PHE 14 HB3 PHE 14 1.608 -3.925 -5.016 114 HD1 PHE 14 HD1 PHE 14 2.971 -3.186 -2.956 115 HD2 PHE 14 HD2 PHE 14 4.368 -5.986 -5.825 116 HE1 PHE 14 HE1 PHE 14 5.261 -2.757 -2.258 117 HE2 PHE 14 HE2 PHE 14 6.656 -5.571 -5.147 118 HZ PHE 14 HZ PHE 14 7.138 -3.959 -3.361 119 H GLU 15 H GLU 15 -0.920 -4.564 -3.746 120 HA GLU 15 HA GLU 15 -2.229 -6.408 -5.526 121 HB2 GLU 15 HB2 GLU 15 -3.342 -4.242 -3.762 122 HB3 GLU 15 HB3 GLU 15 -4.325 -5.071 -4.963 123 HG2 GLU 15 HG2 GLU 15 -3.775 -7.178 -3.940 124 HG3 GLU 15 HG3 GLU 15 -2.883 -6.345 -2.653 125 H SER 16 H SER 16 -2.808 -6.065 -7.497 126 HA SER 16 HA SER 16 -2.003 -3.525 -8.680 127 HB2 SER 16 HB2 SER 16 -2.441 -6.227 -9.966 128 HB3 SER 16 HB3 SER 16 -1.799 -4.792 -10.762 129 HG SER 16 HG SER 16 -0.218 -4.919 -8.880 130 H HIS 17 H HIS 17 -4.658 -4.790 -7.440 131 HA HIS 17 HA HIS 17 -6.355 -3.240 -9.227 132 HB2 HIS 17 HB2 HIS 17 -7.129 -5.980 -8.129 133 HB3 HIS 17 HB3 HIS 17 -8.217 -4.887 -8.964 134 HD1 HIS 17 HD1 HIS 17 -8.213 -4.975 -11.502 135 HD2 HIS 17 HD2 HIS 17 -5.133 -7.182 -9.798 136 HE1 HIS 17 HE1 HIS 17 -7.200 -6.283 -13.379 137 HE2 HIS 17 HE2 HIS 17 -5.086 -7.135 -12.354 138 H VAL 18 H VAL 18 -6.354 -1.590 -7.779 139 HA VAL 18 HA VAL 18 -7.633 -2.168 -5.212 140 HB VAL 18 HB VAL 18 -5.378 -0.190 -5.613 141 HG11 VAL 18 HG11 VAL 18 -6.760 -1.103 -3.070 142 HG12 VAL 18 HG12 VAL 18 -6.926 0.474 -3.833 143 HG13 VAL 18 HG13 VAL 18 -5.377 -0.011 -3.138 144 HG21 VAL 18 HG21 VAL 18 -3.979 -1.718 -4.237 145 HG22 VAL 18 HG22 VAL 18 -4.488 -2.457 -5.744 146 HG23 VAL 18 HG23 VAL 18 -5.277 -2.900 -4.239 147 H ALA 19 H ALA 19 -9.027 -0.463 -4.490 148 HA ALA 19 HA ALA 19 -9.756 1.339 -6.660 149 HB1 ALA 19 HB1 ALA 19 -11.332 0.512 -4.235 150 HB2 ALA 19 HB2 ALA 19 -11.503 -0.166 -5.852 151 HB3 ALA 19 HB3 ALA 19 -11.910 1.523 -5.559 152 H ARG 20 H ARG 20 -9.613 3.463 -6.466 153 HA ARG 20 HA ARG 20 -8.288 4.756 -4.328 154 HB2 ARG 20 HB2 ARG 20 -8.233 5.708 -6.550 155 HB3 ARG 20 HB3 ARG 20 -9.980 5.790 -6.625 156 HG2 ARG 20 HG2 ARG 20 -8.969 7.997 -6.319 157 HG3 ARG 20 HG3 ARG 20 -9.985 7.564 -4.944 158 HD2 ARG 20 HD2 ARG 20 -7.973 6.923 -3.705 159 HD3 ARG 20 HD3 ARG 20 -6.981 7.383 -5.088 160 HE ARG 20 HE ARG 20 -8.388 9.618 -4.598 161 HH11 ARG 20 HH11 ARG 20 -6.433 7.549 -2.496 162 HH12 ARG 20 HH12 ARG 20 -5.989 8.844 -1.464 163 HH21 ARG 20 HH21 ARG 20 -7.752 11.323 -3.188 164 HH22 ARG 20 HH22 ARG 20 -6.724 11.014 -1.854 165 H ALA 21 H ALA 21 -11.514 3.958 -5.031 166 HA ALA 21 HA ALA 21 -12.734 5.633 -3.069 167 HB1 ALA 21 HB1 ALA 21 -13.866 3.311 -4.603 168 HB2 ALA 21 HB2 ALA 21 -13.893 5.000 -5.119 169 HB3 ALA 21 HB3 ALA 21 -14.774 4.506 -3.673 170 H ASN 22 H ASN 22 -10.922 2.783 -2.746 171 HA ASN 22 HA ASN 22 -12.438 1.986 -0.301 172 HB2 ASN 22 HB2 ASN 22 -12.386 0.287 -2.168 173 HB3 ASN 22 HB3 ASN 22 -10.643 0.226 -1.967 174 HD21 ASN 22 HD21 ASN 22 -10.509 -1.779 -1.297 175 HD22 ASN 22 HD22 ASN 22 -11.150 -2.462 0.146 176 H VAL 23 H VAL 23 -9.873 3.737 -1.099 177 HA VAL 23 HA VAL 23 -8.131 2.518 0.947 178 HB VAL 23 HB VAL 23 -7.021 2.915 -1.193 179 HG11 VAL 23 HG11 VAL 23 -8.336 4.775 -2.043 180 HG12 VAL 23 HG12 VAL 23 -6.620 5.177 -2.043 181 HG13 VAL 23 HG13 VAL 23 -7.680 5.830 -0.794 182 HG21 VAL 23 HG21 VAL 23 -6.081 4.831 0.927 183 HG22 VAL 23 HG22 VAL 23 -5.108 4.157 -0.384 184 HG23 VAL 23 HG23 VAL 23 -5.750 3.099 0.873 185 H LYS 24 H LYS 24 -7.972 3.303 2.890 186 HA LYS 24 HA LYS 24 -9.292 5.758 3.561 187 HB2 LYS 24 HB2 LYS 24 -7.550 4.020 5.342 188 HB3 LYS 24 HB3 LYS 24 -8.561 5.350 5.874 189 HG2 LYS 24 HG2 LYS 24 -10.528 4.095 5.141 190 HG3 LYS 24 HG3 LYS 24 -9.456 2.736 4.715 191 HD2 LYS 24 HD2 LYS 24 -10.437 2.324 6.890 192 HD3 LYS 24 HD3 LYS 24 -8.734 2.712 7.112 193 HE2 LYS 24 HE2 LYS 24 -9.293 4.993 7.746 194 HE3 LYS 24 HE3 LYS 24 -10.994 4.702 7.410 195 HZ1 LYS 24 HZ1 LYS 24 -10.538 4.603 9.746 196 HZ2 LYS 24 HZ2 LYS 24 -9.373 3.430 9.553 197 HZ3 LYS 24 HZ3 LYS 24 -11.000 3.074 9.213 198 H HIS 25 H HIS 25 -6.031 4.549 4.310 199 HA HIS 25 HA HIS 25 -4.999 7.237 3.766 200 HB2 HIS 25 HB2 HIS 25 -3.237 6.890 5.450 201 HB3 HIS 25 HB3 HIS 25 -4.829 6.870 6.242 202 HD1 HIS 25 HD1 HIS 25 -3.178 5.934 8.138 203 HD2 HIS 25 HD2 HIS 25 -3.671 3.465 4.849 204 HE1 HIS 25 HE1 HIS 25 -2.186 3.735 8.788 205 HE2 HIS 25 HE2 HIS 25 -2.151 2.465 6.686 206 H LEU 26 H LEU 26 -2.874 7.413 3.002 207 HA LEU 26 HA LEU 26 -1.899 4.998 1.664 208 HB2 LEU 26 HB2 LEU 26 -1.685 7.900 0.832 209 HB3 LEU 26 HB3 LEU 26 -0.723 6.632 0.124 210 HG LEU 26 HG LEU 26 -2.472 7.216 -1.370 211 HD11 LEU 26 HD11 LEU 26 -3.591 5.087 -1.714 212 HD12 LEU 26 HD12 LEU 26 -3.049 4.558 -0.120 213 HD13 LEU 26 HD13 LEU 26 -1.869 4.919 -1.379 214 HD21 LEU 26 HD21 LEU 26 -4.074 8.196 0.172 215 HD22 LEU 26 HD22 LEU 26 -4.432 6.605 0.843 216 HD23 LEU 26 HD23 LEU 26 -4.861 6.972 -0.828 217 H LYS 27 H LYS 27 0.034 4.355 2.285 218 HA LYS 27 HA LYS 27 1.846 6.330 3.443 219 HB2 LYS 27 HB2 LYS 27 0.886 4.986 5.243 220 HB3 LYS 27 HB3 LYS 27 1.279 3.493 4.447 221 HG2 LYS 27 HG2 LYS 27 3.694 4.090 4.654 222 HG3 LYS 27 HG3 LYS 27 3.214 5.526 5.553 223 HD2 LYS 27 HD2 LYS 27 2.640 2.670 6.343 224 HD3 LYS 27 HD3 LYS 27 3.875 3.705 7.054 225 HE2 LYS 27 HE2 LYS 27 2.107 5.252 7.820 226 HE3 LYS 27 HE3 LYS 27 0.890 4.185 7.127 227 HZ1 LYS 27 HZ1 LYS 27 2.773 3.454 9.306 228 HZ2 LYS 27 HZ2 LYS 27 1.604 2.440 8.664 229 HZ3 LYS 27 HZ3 LYS 27 1.146 3.823 9.506 230 H ILE 28 H ILE 28 3.661 6.319 2.218 231 HA ILE 28 HA ILE 28 4.048 3.919 0.627 232 HB ILE 28 HB ILE 28 4.733 6.764 -0.165 233 HG12 ILE 28 HG12 ILE 28 2.640 4.826 -1.152 234 HG13 ILE 28 HG13 ILE 28 2.339 6.317 -0.270 235 HG21 ILE 28 HG21 ILE 28 6.344 5.108 -1.018 236 HG22 ILE 28 HG22 ILE 28 5.350 5.793 -2.314 237 HG23 ILE 28 HG23 ILE 28 4.998 4.178 -1.688 238 HD11 ILE 28 HD11 ILE 28 3.461 6.056 -3.048 239 HD12 ILE 28 HD12 ILE 28 3.200 7.589 -2.203 240 HD13 ILE 28 HD13 ILE 28 1.829 6.555 -2.627 241 H LEU 29 H LEU 29 5.899 2.896 0.700 242 HA LEU 29 HA LEU 29 7.894 4.026 2.494 243 HB2 LEU 29 HB2 LEU 29 6.640 2.193 3.473 244 HB3 LEU 29 HB3 LEU 29 7.054 1.169 2.116 245 HG LEU 29 HG LEU 29 9.426 1.274 2.774 246 HD11 LEU 29 HD11 LEU 29 10.029 2.209 4.953 247 HD12 LEU 29 HD12 LEU 29 8.389 2.822 5.145 248 HD13 LEU 29 HD13 LEU 29 9.419 3.451 3.859 249 HD21 LEU 29 HD21 LEU 29 9.212 -0.107 4.771 250 HD22 LEU 29 HD22 LEU 29 8.006 -0.540 3.560 251 HD23 LEU 29 HD23 LEU 29 7.541 0.428 4.961 252 H ASN 30 H ASN 30 9.560 4.630 1.342 253 HA ASN 30 HA ASN 30 10.398 3.140 -0.997 254 HB2 ASN 30 HB2 ASN 30 12.183 4.913 -1.161 255 HB3 ASN 30 HB3 ASN 30 10.552 5.567 -1.192 256 HD21 ASN 30 HD21 ASN 30 9.833 6.827 0.536 257 HD22 ASN 30 HD22 ASN 30 10.906 7.425 1.733 258 H THR 31 H THR 31 12.054 1.655 -0.982 259 HA THR 31 HA THR 31 13.325 1.359 1.603 260 HB THR 31 HB THR 31 12.534 -0.637 -0.479 261 HG1 THR 31 HG1 THR 31 11.139 0.544 1.321 262 HG21 THR 31 HG21 THR 31 13.092 -2.313 1.132 263 HG22 THR 31 HG22 THR 31 13.693 -1.079 2.256 264 HG23 THR 31 HG23 THR 31 14.538 -1.367 0.714 265 HA PRO 32 HA PRO 32 17.124 2.712 -0.308 266 HB2 PRO 32 HB2 PRO 32 18.156 0.622 1.548 267 HB3 PRO 32 HB3 PRO 32 18.770 2.257 1.295 268 HG2 PRO 32 HG2 PRO 32 17.306 1.781 3.409 269 HG3 PRO 32 HG3 PRO 32 16.952 3.222 2.438 270 HD2 PRO 32 HD2 PRO 32 15.475 0.629 2.578 271 HD3 PRO 32 HD3 PRO 32 14.865 2.289 2.416 272 H ASN 33 H ASN 33 16.511 -0.722 -0.005 273 HA ASN 33 HA ASN 33 18.294 -1.215 -2.312 274 HB2 ASN 33 HB2 ASN 33 18.757 -3.448 -1.347 275 HB3 ASN 33 HB3 ASN 33 19.317 -2.127 -0.325 276 HD21 ASN 33 HD21 ASN 33 18.275 -1.711 1.599 277 HD22 ASN 33 HD22 ASN 33 17.197 -2.808 2.347 278 H CYS 34 H CYS 34 15.244 -0.845 -1.936 279 HA CYS 34 HA CYS 34 14.563 -3.167 -3.557 280 HB2 CYS 34 HB2 CYS 34 13.903 -3.608 -1.113 281 HB3 CYS 34 HB3 CYS 34 12.836 -2.257 -1.255 282 H ALA 35 H ALA 35 12.240 -2.806 -4.337 283 HA ALA 35 HA ALA 35 12.188 -0.332 -5.727 284 HB1 ALA 35 HB1 ALA 35 10.130 -1.224 -6.733 285 HB2 ALA 35 HB2 ALA 35 10.152 -2.555 -5.575 286 HB3 ALA 35 HB3 ALA 35 11.437 -2.410 -6.774 287 H LEU 36 H LEU 36 9.927 0.744 -5.802 288 HA LEU 36 HA LEU 36 9.550 1.788 -3.189 289 HB2 LEU 36 HB2 LEU 36 9.712 3.211 -5.210 290 HB3 LEU 36 HB3 LEU 36 8.258 2.482 -5.838 291 HG LEU 36 HG LEU 36 8.014 4.808 -4.906 292 HD11 LEU 36 HD11 LEU 36 6.081 3.367 -5.193 293 HD12 LEU 36 HD12 LEU 36 5.914 4.378 -3.757 294 HD13 LEU 36 HD13 LEU 36 6.353 2.676 -3.591 295 HD21 LEU 36 HD21 LEU 36 7.914 5.047 -2.472 296 HD22 LEU 36 HD22 LEU 36 9.521 4.550 -3.016 297 HD23 LEU 36 HD23 LEU 36 8.442 3.372 -2.291 298 H GLN 37 H GLN 37 8.246 0.885 -1.773 299 HA GLN 37 HA GLN 37 5.974 -0.716 -2.703 300 HB2 GLN 37 HB2 GLN 37 7.417 -0.524 -0.083 301 HB3 GLN 37 HB3 GLN 37 6.036 -1.574 -0.384 302 HG2 GLN 37 HG2 GLN 37 7.236 -3.038 -1.592 303 HG3 GLN 37 HG3 GLN 37 8.275 -1.784 -2.284 304 HE21 GLN 37 HE21 GLN 37 9.959 -1.134 -1.234 305 HE22 GLN 37 HE22 GLN 37 10.660 -1.888 0.129 306 H ILE 38 H ILE 38 3.909 -0.268 -2.065 307 HA ILE 38 HA ILE 38 3.457 2.247 -0.598 308 HB ILE 38 HB ILE 38 1.799 0.898 -2.727 309 HG12 ILE 38 HG12 ILE 38 3.305 3.506 -2.860 310 HG13 ILE 38 HG13 ILE 38 3.842 1.989 -3.574 311 HG21 ILE 38 HG21 ILE 38 0.331 1.998 -1.162 312 HG22 ILE 38 HG22 ILE 38 0.368 2.927 -2.657 313 HG23 ILE 38 HG23 ILE 38 1.265 3.485 -1.239 314 HD11 ILE 38 HD11 ILE 38 1.352 3.495 -4.282 315 HD12 ILE 38 HD12 ILE 38 1.899 1.983 -5.021 316 HD13 ILE 38 HD13 ILE 38 2.854 3.471 -5.200 317 H VAL 39 H VAL 39 2.025 2.118 1.124 318 HA VAL 39 HA VAL 39 0.684 -0.453 1.568 319 HB VAL 39 HB VAL 39 1.719 1.450 3.690 320 HG11 VAL 39 HG11 VAL 39 0.485 -1.289 3.954 321 HG12 VAL 39 HG12 VAL 39 -0.248 0.237 4.428 322 HG13 VAL 39 HG13 VAL 39 1.168 -0.359 5.279 323 HG21 VAL 39 HG21 VAL 39 3.596 0.347 2.594 324 HG22 VAL 39 HG22 VAL 39 2.836 -1.228 2.847 325 HG23 VAL 39 HG23 VAL 39 3.390 -0.283 4.231 326 H ALA 40 H ALA 40 -1.422 -0.298 1.803 327 HA ALA 40 HA ALA 40 -2.715 2.329 2.332 328 HB1 ALA 40 HB1 ALA 40 -2.799 1.879 -0.050 329 HB2 ALA 40 HB2 ALA 40 -4.394 1.734 0.695 330 HB3 ALA 40 HB3 ALA 40 -3.485 0.289 0.281 331 H ARG 41 H ARG 41 -4.655 2.205 3.334 332 HA ARG 41 HA ARG 41 -5.270 -0.456 4.372 333 HB2 ARG 41 HB2 ARG 41 -4.458 1.376 6.146 334 HB3 ARG 41 HB3 ARG 41 -5.959 2.088 5.779 335 HG2 ARG 41 HG2 ARG 41 -7.290 0.471 6.715 336 HG3 ARG 41 HG3 ARG 41 -6.040 -0.756 6.480 337 HD2 ARG 41 HD2 ARG 41 -6.441 -0.145 8.842 338 HD3 ARG 41 HD3 ARG 41 -4.780 0.006 8.293 339 HE ARG 41 HE ARG 41 -6.025 2.519 8.077 340 HH11 ARG 41 HH11 ARG 41 -5.112 0.235 10.634 341 HH12 ARG 41 HH12 ARG 41 -4.718 1.436 11.760 342 HH21 ARG 41 HH21 ARG 41 -5.451 4.204 9.677 343 HH22 ARG 41 HH22 ARG 41 -4.924 3.706 11.206 344 H LEU 42 H LEU 42 -7.133 -1.197 3.891 345 HA LEU 42 HA LEU 42 -8.793 0.282 2.060 346 HB2 LEU 42 HB2 LEU 42 -9.342 -2.445 3.261 347 HB3 LEU 42 HB3 LEU 42 -10.110 -1.734 1.870 348 HG LEU 42 HG LEU 42 -7.224 -2.566 2.032 349 HD11 LEU 42 HD11 LEU 42 -7.850 -4.286 0.436 350 HD12 LEU 42 HD12 LEU 42 -9.536 -3.784 0.560 351 HD13 LEU 42 HD13 LEU 42 -8.704 -4.460 1.965 352 HD21 LEU 42 HD21 LEU 42 -7.156 -2.086 -0.365 353 HD22 LEU 42 HD22 LEU 42 -7.484 -0.636 0.584 354 HD23 LEU 42 HD23 LEU 42 -8.797 -1.441 -0.277 355 H LYS 43 H LYS 43 -10.845 1.008 2.344 356 HA LYS 43 HA LYS 43 -11.510 1.883 4.991 357 HB2 LYS 43 HB2 LYS 43 -13.218 1.978 2.519 358 HB3 LYS 43 HB3 LYS 43 -13.525 2.902 3.972 359 HG2 LYS 43 HG2 LYS 43 -11.259 4.024 3.423 360 HG3 LYS 43 HG3 LYS 43 -11.443 3.245 1.857 361 HD2 LYS 43 HD2 LYS 43 -13.317 5.256 3.119 362 HD3 LYS 43 HD3 LYS 43 -12.326 5.428 1.666 363 HE2 LYS 43 HE2 LYS 43 -13.644 3.746 0.525 364 HE3 LYS 43 HE3 LYS 43 -14.604 3.475 1.973 365 HZ1 LYS 43 HZ1 LYS 43 -15.431 5.733 1.804 366 HZ2 LYS 43 HZ2 LYS 43 -15.723 4.893 0.366 367 HZ3 LYS 43 HZ3 LYS 43 -14.476 6.011 0.441 368 H ASN 44 H ASN 44 -12.982 -0.345 2.703 369 HA ASN 44 HA ASN 44 -15.163 -0.953 4.432 370 HB2 ASN 44 HB2 ASN 44 -15.457 -1.004 2.021 371 HB3 ASN 44 HB3 ASN 44 -14.264 -2.287 1.878 372 HD21 ASN 44 HD21 ASN 44 -17.473 -1.467 2.877 373 HD22 ASN 44 HD22 ASN 44 -18.097 -3.068 2.955 374 H ASN 45 H ASN 45 -12.148 -2.567 3.705 375 HA ASN 45 HA ASN 45 -12.989 -4.877 5.325 376 HB2 ASN 45 HB2 ASN 45 -11.694 -5.108 3.123 377 HB3 ASN 45 HB3 ASN 45 -10.303 -4.521 4.016 378 HD21 ASN 45 HD21 ASN 45 -10.219 -6.993 2.850 379 HD22 ASN 45 HD22 ASN 45 -10.196 -8.206 4.039 380 H ASN 46 H ASN 46 -10.767 -2.141 5.368 381 HA ASN 46 HA ASN 46 -9.392 -1.210 6.909 382 HB2 ASN 46 HB2 ASN 46 -11.273 -1.746 8.584 383 HB3 ASN 46 HB3 ASN 46 -10.461 -3.265 8.913 384 HD21 ASN 46 HD21 ASN 46 -8.631 -3.236 10.233 385 HD22 ASN 46 HD22 ASN 46 -8.119 -1.837 11.091 386 H ARG 47 H ARG 47 -8.950 -3.776 5.322 387 HA ARG 47 HA ARG 47 -6.648 -4.944 6.589 388 HB2 ARG 47 HB2 ARG 47 -7.525 -4.980 3.713 389 HB3 ARG 47 HB3 ARG 47 -6.057 -5.740 4.234 390 HG2 ARG 47 HG2 ARG 47 -8.782 -6.368 5.110 391 HG3 ARG 47 HG3 ARG 47 -7.775 -7.257 3.927 392 HD2 ARG 47 HD2 ARG 47 -6.182 -7.586 5.730 393 HD3 ARG 47 HD3 ARG 47 -7.408 -6.886 6.841 394 HE ARG 47 HE ARG 47 -8.193 -9.147 5.209 395 HH11 ARG 47 HH11 ARG 47 -7.256 -8.064 8.460 396 HH12 ARG 47 HH12 ARG 47 -7.756 -9.481 9.233 397 HH21 ARG 47 HH21 ARG 47 -8.846 -11.120 6.280 398 HH22 ARG 47 HH22 ARG 47 -8.666 -11.262 7.967 399 H GLN 48 H GLN 48 -4.625 -4.602 6.138 400 HA GLN 48 HA GLN 48 -4.002 -2.076 4.842 401 HB2 GLN 48 HB2 GLN 48 -3.488 -2.276 7.274 402 HB3 GLN 48 HB3 GLN 48 -2.380 -3.600 6.883 403 HG2 GLN 48 HG2 GLN 48 -1.219 -2.036 5.444 404 HG3 GLN 48 HG3 GLN 48 -2.401 -0.846 5.995 405 HE21 GLN 48 HE21 GLN 48 0.285 -2.805 6.993 406 HE22 GLN 48 HE22 GLN 48 0.620 -1.953 8.463 407 H VAL 49 H VAL 49 -3.059 -2.406 2.925 408 HA VAL 49 HA VAL 49 -1.638 -4.933 2.484 409 HB VAL 49 HB VAL 49 -2.671 -5.185 0.280 410 HG11 VAL 49 HG11 VAL 49 -4.931 -5.845 0.986 411 HG12 VAL 49 HG12 VAL 49 -4.705 -4.954 2.492 412 HG13 VAL 49 HG13 VAL 49 -3.697 -6.358 2.138 413 HG21 VAL 49 HG21 VAL 49 -3.164 -2.840 -0.207 414 HG22 VAL 49 HG22 VAL 49 -4.401 -2.821 1.051 415 HG23 VAL 49 HG23 VAL 49 -4.611 -3.825 -0.388 416 H CYS 50 H CYS 50 -0.459 -4.829 0.336 417 HA CYS 50 HA CYS 50 0.836 -2.223 0.206 418 HB2 CYS 50 HB2 CYS 50 1.865 -4.785 -1.057 419 HB3 CYS 50 HB3 CYS 50 2.707 -3.309 -0.713 420 H ILE 51 H ILE 51 0.973 -1.174 -1.714 421 HA ILE 51 HA ILE 51 -0.755 -2.210 -3.842 422 HB ILE 51 HB ILE 51 -0.221 0.684 -3.118 423 HG12 ILE 51 HG12 ILE 51 -2.605 -1.102 -2.799 424 HG13 ILE 51 HG13 ILE 51 -1.695 -0.290 -1.548 425 HG21 ILE 51 HG21 ILE 51 -0.468 0.431 -5.523 426 HG22 ILE 51 HG22 ILE 51 -1.886 1.230 -4.832 427 HG23 ILE 51 HG23 ILE 51 -1.958 -0.478 -5.270 428 HD11 ILE 51 HD11 ILE 51 -2.431 1.900 -2.353 429 HD12 ILE 51 HD12 ILE 51 -3.804 0.876 -1.928 430 HD13 ILE 51 HD13 ILE 51 -3.372 1.117 -3.620 431 H ASP 52 H ASP 52 -0.096 -2.115 -5.900 432 HA ASP 52 HA ASP 52 2.708 -1.964 -6.372 433 HB2 ASP 52 HB2 ASP 52 1.400 -3.562 -7.410 434 HB3 ASP 52 HB3 ASP 52 0.360 -2.366 -8.222 435 HA PRO 53 HA PRO 53 2.694 2.385 -7.041 436 HB2 PRO 53 HB2 PRO 53 5.136 2.566 -8.252 437 HB3 PRO 53 HB3 PRO 53 4.886 2.415 -6.510 438 HG2 PRO 53 HG2 PRO 53 5.530 0.301 -8.516 439 HG3 PRO 53 HG3 PRO 53 6.228 0.548 -6.900 440 HD2 PRO 53 HD2 PRO 53 4.368 -1.304 -7.369 441 HD3 PRO 53 HD3 PRO 53 4.389 -0.387 -5.846 442 H LYS 54 H LYS 54 2.707 0.097 -9.654 443 HA LYS 54 HA LYS 54 2.778 2.280 -11.554 444 HB2 LYS 54 HB2 LYS 54 2.811 -0.690 -12.053 445 HB3 LYS 54 HB3 LYS 54 2.814 0.531 -13.317 446 HG2 LYS 54 HG2 LYS 54 4.960 0.066 -11.244 447 HG3 LYS 54 HG3 LYS 54 5.060 -0.278 -12.969 448 HD2 LYS 54 HD2 LYS 54 4.783 2.477 -11.718 449 HD3 LYS 54 HD3 LYS 54 6.250 1.788 -12.389 450 HE2 LYS 54 HE2 LYS 54 3.729 2.349 -13.964 451 HE3 LYS 54 HE3 LYS 54 5.149 3.386 -13.919 452 HZ1 LYS 54 HZ1 LYS 54 6.441 1.568 -14.902 453 HZ2 LYS 54 HZ2 LYS 54 5.139 2.008 -15.873 454 HZ3 LYS 54 HZ3 LYS 54 5.059 0.602 -14.969 455 H LEU 55 H LEU 55 0.384 1.183 -9.702 456 HA LEU 55 HA LEU 55 -1.667 0.808 -11.551 457 HB2 LEU 55 HB2 LEU 55 -1.545 1.772 -8.747 458 HB3 LEU 55 HB3 LEU 55 -3.060 1.780 -9.586 459 HG LEU 55 HG LEU 55 -1.371 -0.664 -9.004 460 HD11 LEU 55 HD11 LEU 55 -4.034 0.239 -7.912 461 HD12 LEU 55 HD12 LEU 55 -2.502 0.335 -7.044 462 HD13 LEU 55 HD13 LEU 55 -3.172 -1.238 -7.481 463 HD21 LEU 55 HD21 LEU 55 -3.302 -1.889 -9.826 464 HD22 LEU 55 HD22 LEU 55 -2.616 -0.877 -11.100 465 HD23 LEU 55 HD23 LEU 55 -4.084 -0.379 -10.250 466 H LYS 56 H LYS 56 -3.194 2.218 -12.316 467 HA LYS 56 HA LYS 56 -1.988 4.539 -13.370 468 HB2 LYS 56 HB2 LYS 56 -4.885 3.700 -13.523 469 HB3 LYS 56 HB3 LYS 56 -4.087 4.889 -14.547 470 HG2 LYS 56 HG2 LYS 56 -2.587 3.162 -15.416 471 HG3 LYS 56 HG3 LYS 56 -3.367 1.968 -14.387 472 HD2 LYS 56 HD2 LYS 56 -4.221 1.765 -16.637 473 HD3 LYS 56 HD3 LYS 56 -5.490 2.393 -15.588 474 HE2 LYS 56 HE2 LYS 56 -5.090 4.640 -16.401 475 HE3 LYS 56 HE3 LYS 56 -3.740 4.070 -17.383 476 HZ1 LYS 56 HZ1 LYS 56 -6.577 3.265 -17.703 477 HZ2 LYS 56 HZ2 LYS 56 -5.301 2.717 -18.645 478 HZ3 LYS 56 HZ3 LYS 56 -5.755 4.335 -18.704 479 H TRP 57 H TRP 57 -4.562 4.105 -10.965 480 HA TRP 57 HA TRP 57 -4.838 6.925 -10.595 481 HB2 TRP 57 HB2 TRP 57 -6.259 6.429 -8.671 482 HB3 TRP 57 HB3 TRP 57 -6.691 5.372 -9.999 483 HD1 TRP 57 HD1 TRP 57 -5.996 2.689 -9.668 484 HE1 TRP 57 HE1 TRP 57 -5.725 1.346 -7.545 485 HE3 TRP 57 HE3 TRP 57 -5.474 6.532 -6.331 486 HZ2 TRP 57 HZ2 TRP 57 -5.330 1.800 -4.789 487 HZ3 TRP 57 HZ3 TRP 57 -5.158 5.975 -3.956 488 HH2 TRP 57 HH2 TRP 57 -5.087 3.653 -3.202 489 H ILE 58 H ILE 58 -2.709 4.576 -9.460 490 HA ILE 58 HA ILE 58 -1.732 6.003 -7.194 491 HB ILE 58 HB ILE 58 -0.711 3.628 -8.731 492 HG12 ILE 58 HG12 ILE 58 -2.631 3.205 -7.307 493 HG13 ILE 58 HG13 ILE 58 -1.203 2.391 -6.692 494 HG21 ILE 58 HG21 ILE 58 0.975 3.299 -7.045 495 HG22 ILE 58 HG22 ILE 58 0.589 4.867 -6.332 496 HG23 ILE 58 HG23 ILE 58 1.246 4.780 -7.975 497 HD11 ILE 58 HD11 ILE 58 -0.912 4.153 -5.015 498 HD12 ILE 58 HD12 ILE 58 -2.480 3.358 -4.874 499 HD13 ILE 58 HD13 ILE 58 -2.372 4.951 -5.607 500 H GLN 59 H GLN 59 -0.612 5.525 -10.524 501 HA GLN 59 HA GLN 59 1.640 7.167 -10.338 502 HB2 GLN 59 HB2 GLN 59 -0.164 6.571 -12.655 503 HB3 GLN 59 HB3 GLN 59 1.269 7.589 -12.792 504 HG2 GLN 59 HG2 GLN 59 1.267 4.710 -11.886 505 HG3 GLN 59 HG3 GLN 59 1.681 5.251 -13.511 506 HE21 GLN 59 HE21 GLN 59 2.746 5.025 -10.222 507 HE22 GLN 59 HE22 GLN 59 4.358 5.552 -10.495 508 H GLU 60 H GLU 60 -1.722 7.975 -10.969 509 HA GLU 60 HA GLU 60 -1.315 10.736 -11.337 510 HB2 GLU 60 HB2 GLU 60 -3.731 9.298 -10.234 511 HB3 GLU 60 HB3 GLU 60 -3.708 10.974 -10.760 512 HG2 GLU 60 HG2 GLU 60 -3.270 8.542 -12.479 513 HG3 GLU 60 HG3 GLU 60 -4.696 9.576 -12.460 514 H TYR 61 H TYR 61 -1.989 8.785 -8.462 515 HA TYR 61 HA TYR 61 -2.134 10.882 -6.614 516 HB2 TYR 61 HB2 TYR 61 -2.904 8.600 -6.059 517 HB3 TYR 61 HB3 TYR 61 -1.247 8.024 -6.144 518 HD1 TYR 61 HD1 TYR 61 -3.374 10.478 -4.316 519 HD2 TYR 61 HD2 TYR 61 0.048 7.958 -4.191 520 HE1 TYR 61 HE1 TYR 61 -3.065 11.015 -1.939 521 HE2 TYR 61 HE2 TYR 61 0.366 8.495 -1.818 522 HH TYR 61 HH TYR 61 -2.045 10.135 -0.036 523 H LEU 62 H LEU 62 0.655 8.881 -7.548 524 HA LEU 62 HA LEU 62 2.450 10.219 -5.826 525 HB2 LEU 62 HB2 LEU 62 2.865 8.424 -8.176 526 HB3 LEU 62 HB3 LEU 62 4.225 9.286 -7.491 527 HG LEU 62 HG LEU 62 3.856 8.162 -5.328 528 HD11 LEU 62 HD11 LEU 62 1.682 6.669 -6.735 529 HD12 LEU 62 HD12 LEU 62 1.491 7.854 -5.450 530 HD13 LEU 62 HD13 LEU 62 2.308 6.321 -5.117 531 HD21 LEU 62 HD21 LEU 62 5.341 7.212 -6.958 532 HD22 LEU 62 HD22 LEU 62 4.015 6.282 -7.654 533 HD23 LEU 62 HD23 LEU 62 4.553 5.951 -5.997 534 H GLU 63 H GLU 63 1.494 10.821 -9.160 535 HA GLU 63 HA GLU 63 3.451 12.686 -9.748 536 HB2 GLU 63 HB2 GLU 63 2.023 11.571 -11.385 537 HB3 GLU 63 HB3 GLU 63 0.628 12.431 -10.763 538 HG2 GLU 63 HG2 GLU 63 1.547 14.513 -11.463 539 HG3 GLU 63 HG3 GLU 63 3.034 13.704 -11.978 540 H LYS 64 H LYS 64 0.138 13.093 -8.467 541 HA LYS 64 HA LYS 64 0.508 15.893 -8.277 542 HB2 LYS 64 HB2 LYS 64 -1.644 16.006 -7.163 543 HB3 LYS 64 HB3 LYS 64 -1.704 15.058 -8.633 544 HG2 LYS 64 HG2 LYS 64 -1.642 13.019 -7.271 545 HG3 LYS 64 HG3 LYS 64 -1.690 14.031 -5.818 546 HD2 LYS 64 HD2 LYS 64 -3.760 15.035 -6.584 547 HD3 LYS 64 HD3 LYS 64 -3.714 14.015 -8.024 548 HE2 LYS 64 HE2 LYS 64 -5.225 13.039 -6.423 549 HE3 LYS 64 HE3 LYS 64 -3.770 12.048 -6.596 550 HZ1 LYS 64 HZ1 LYS 64 -4.264 13.975 -4.405 551 HZ2 LYS 64 HZ2 LYS 64 -2.925 12.965 -4.510 552 HZ3 LYS 64 HZ3 LYS 64 -4.488 12.344 -4.263 553 H ALA 65 H ALA 65 1.065 13.257 -6.101 554 HA ALA 65 HA ALA 65 1.260 14.790 -3.717 555 HB1 ALA 65 HB1 ALA 65 2.387 12.850 -2.764 556 HB2 ALA 65 HB2 ALA 65 2.595 12.160 -4.374 557 HB3 ALA 65 HB3 ALA 65 0.979 12.341 -3.696 558 H LEU 66 H LEU 66 3.575 13.886 -6.206 559 HA LEU 66 HA LEU 66 5.718 15.225 -4.807 560 HB2 LEU 66 HB2 LEU 66 5.619 14.043 -7.579 561 HB3 LEU 66 HB3 LEU 66 7.060 14.678 -6.814 562 HG LEU 66 HG LEU 66 5.486 12.268 -5.896 563 HD11 LEU 66 HD11 LEU 66 6.720 11.850 -7.936 564 HD12 LEU 66 HD12 LEU 66 7.459 11.002 -6.578 565 HD13 LEU 66 HD13 LEU 66 8.191 12.481 -7.201 566 HD21 LEU 66 HD21 LEU 66 6.483 13.425 -3.991 567 HD22 LEU 66 HD22 LEU 66 8.045 13.459 -4.814 568 HD23 LEU 66 HD23 LEU 66 7.343 11.924 -4.318 569 H ASN 67 H ASN 67 3.353 16.002 -7.175 570 HA ASN 67 HA ASN 67 4.670 18.323 -8.209 571 HB2 ASN 67 HB2 ASN 67 2.948 17.137 -9.509 572 HB3 ASN 67 HB3 ASN 67 1.756 17.508 -8.273 573 HD21 ASN 67 HD21 ASN 67 0.456 18.505 -9.818 574 HD22 ASN 67 HD22 ASN 67 0.820 20.076 -10.432 575 H LYS 68 H LYS 68 2.022 17.836 -5.827 576 HA LYS 68 HA LYS 68 2.837 20.193 -4.485 577 HB2 LYS 68 HB2 LYS 68 0.539 21.209 -4.577 578 HB3 LYS 68 HB3 LYS 68 1.494 21.309 -6.045 579 HG2 LYS 68 HG2 LYS 68 0.229 19.444 -6.979 580 HG3 LYS 68 HG3 LYS 68 -0.733 19.368 -5.500 581 HD2 LYS 68 HD2 LYS 68 -1.424 21.677 -5.855 582 HD3 LYS 68 HD3 LYS 68 -0.491 21.702 -7.347 583 HE2 LYS 68 HE2 LYS 68 -2.855 21.300 -7.850 584 HE3 LYS 68 HE3 LYS 68 -1.869 19.899 -8.261 585 HZ1 LYS 68 HZ1 LYS 68 -2.619 18.829 -6.188 586 HZ2 LYS 68 HZ2 LYS 68 -3.925 19.249 -7.137 587 HZ3 LYS 68 HZ3 LYS 68 -3.532 20.166 -5.795 Start of MODEL 11 1 H LYS 1 H LYS 1 18.253 -0.894 15.255 2 HA LYS 1 HA LYS 1 20.668 -0.606 15.463 3 HB2 LYS 1 HB2 LYS 1 19.824 -3.179 14.038 4 HB3 LYS 1 HB3 LYS 1 21.284 -2.971 14.992 5 HG2 LYS 1 HG2 LYS 1 20.002 -2.617 16.940 6 HG3 LYS 1 HG3 LYS 1 18.509 -2.728 16.001 7 HD2 LYS 1 HD2 LYS 1 19.008 -4.986 15.386 8 HD3 LYS 1 HD3 LYS 1 20.581 -4.886 16.183 9 HE2 LYS 1 HE2 LYS 1 19.016 -6.036 17.587 10 HE3 LYS 1 HE3 LYS 1 19.531 -4.465 18.240 11 HZ1 LYS 1 HZ1 LYS 1 17.111 -4.875 18.504 12 HZ2 LYS 1 HZ2 LYS 1 16.944 -4.915 16.838 13 HZ3 LYS 1 HZ3 LYS 1 17.419 -3.488 17.609 14 HA PRO 2 HA PRO 2 22.573 0.808 11.789 15 HB2 PRO 2 HB2 PRO 2 25.209 0.503 12.437 16 HB3 PRO 2 HB3 PRO 2 24.200 1.810 13.068 17 HG2 PRO 2 HG2 PRO 2 24.997 -0.759 14.366 18 HG3 PRO 2 HG3 PRO 2 24.863 0.857 15.077 19 HD2 PRO 2 HD2 PRO 2 22.963 -1.069 15.390 20 HD3 PRO 2 HD3 PRO 2 22.590 0.665 15.386 21 H VAL 3 H VAL 3 21.784 -0.869 10.509 22 HA VAL 3 HA VAL 3 23.887 -2.586 9.413 23 HB VAL 3 HB VAL 3 21.048 -3.575 9.922 24 HG11 VAL 3 HG11 VAL 3 23.447 -5.022 8.821 25 HG12 VAL 3 HG12 VAL 3 22.023 -4.510 7.918 26 HG13 VAL 3 HG13 VAL 3 21.880 -5.755 9.159 27 HG21 VAL 3 HG21 VAL 3 23.586 -4.427 11.323 28 HG22 VAL 3 HG22 VAL 3 22.008 -5.191 11.521 29 HG23 VAL 3 HG23 VAL 3 22.258 -3.523 12.045 30 H SER 4 H SER 4 23.969 -1.950 7.304 31 HA SER 4 HA SER 4 21.610 -0.680 6.211 32 HB2 SER 4 HB2 SER 4 23.194 0.046 4.382 33 HB3 SER 4 HB3 SER 4 23.581 0.647 5.995 34 HG SER 4 HG SER 4 24.953 -1.080 4.362 35 H LEU 5 H LEU 5 23.446 -3.431 5.847 36 HA LEU 5 HA LEU 5 22.119 -4.120 3.339 37 HB2 LEU 5 HB2 LEU 5 24.522 -4.562 3.500 38 HB3 LEU 5 HB3 LEU 5 24.242 -5.626 4.859 39 HG LEU 5 HG LEU 5 23.007 -7.170 3.397 40 HD11 LEU 5 HD11 LEU 5 22.166 -5.577 1.755 41 HD12 LEU 5 HD12 LEU 5 23.056 -6.870 0.969 42 HD13 LEU 5 HD13 LEU 5 23.806 -5.287 1.181 43 HD21 LEU 5 HD21 LEU 5 25.756 -6.433 2.407 44 HD22 LEU 5 HD22 LEU 5 24.947 -7.971 2.121 45 HD23 LEU 5 HD23 LEU 5 25.387 -7.498 3.763 46 H SER 6 H SER 6 20.089 -4.755 3.670 47 HA SER 6 HA SER 6 19.695 -7.170 5.203 48 HB2 SER 6 HB2 SER 6 18.139 -4.640 5.781 49 HB3 SER 6 HB3 SER 6 17.747 -6.230 6.430 50 HG SER 6 HG SER 6 20.325 -5.663 6.846 51 H TYR 7 H TYR 7 18.999 -8.362 3.471 52 HA TYR 7 HA TYR 7 17.013 -7.229 1.745 53 HB2 TYR 7 HB2 TYR 7 18.252 -9.979 1.766 54 HB3 TYR 7 HB3 TYR 7 16.938 -9.539 0.686 55 HD1 TYR 7 HD1 TYR 7 17.386 -7.327 -0.706 56 HD2 TYR 7 HD2 TYR 7 20.407 -9.790 0.982 57 HE1 TYR 7 HE1 TYR 7 18.991 -6.467 -2.350 58 HE2 TYR 7 HE2 TYR 7 22.023 -8.930 -0.657 59 HH TYR 7 HH TYR 7 21.389 -6.217 -2.554 60 H ARG 8 H ARG 8 15.435 -6.753 3.125 61 HA ARG 8 HA ARG 8 13.543 -8.840 3.379 62 HB2 ARG 8 HB2 ARG 8 12.987 -8.298 5.712 63 HB3 ARG 8 HB3 ARG 8 14.604 -8.978 5.579 64 HG2 ARG 8 HG2 ARG 8 15.536 -6.718 5.763 65 HG3 ARG 8 HG3 ARG 8 13.895 -6.080 5.891 66 HD2 ARG 8 HD2 ARG 8 13.563 -7.446 7.920 67 HD3 ARG 8 HD3 ARG 8 15.245 -7.968 7.803 68 HE ARG 8 HE ARG 8 15.112 -5.179 7.758 69 HH11 ARG 8 HH11 ARG 8 14.824 -7.916 9.967 70 HH12 ARG 8 HH12 ARG 8 15.116 -7.030 11.379 71 HH21 ARG 8 HH21 ARG 8 15.533 -3.898 9.744 72 HH22 ARG 8 HH22 ARG 8 15.511 -4.692 11.243 73 H CYS 9 H CYS 9 11.694 -8.024 2.750 74 HA CYS 9 HA CYS 9 11.627 -5.113 2.441 75 HB2 CYS 9 HB2 CYS 9 10.277 -7.157 0.677 76 HB3 CYS 9 HB3 CYS 9 10.317 -5.427 0.439 77 HA PRO 10 HA PRO 10 7.969 -5.040 5.004 78 HB2 PRO 10 HB2 PRO 10 7.316 -2.765 3.165 79 HB3 PRO 10 HB3 PRO 10 7.297 -2.815 4.933 80 HG2 PRO 10 HG2 PRO 10 9.272 -1.602 3.663 81 HG3 PRO 10 HG3 PRO 10 9.610 -2.611 5.085 82 HD2 PRO 10 HD2 PRO 10 10.010 -3.209 2.188 83 HD3 PRO 10 HD3 PRO 10 11.031 -3.607 3.587 84 H CYS 11 H CYS 11 7.875 -4.876 1.463 85 HA CYS 11 HA CYS 11 5.460 -6.498 1.545 86 HB2 CYS 11 HB2 CYS 11 5.871 -4.080 -0.208 87 HB3 CYS 11 HB3 CYS 11 4.589 -5.257 -0.439 88 H ARG 12 H ARG 12 5.290 -7.977 -0.041 89 HA ARG 12 HA ARG 12 7.307 -8.066 -2.175 90 HB2 ARG 12 HB2 ARG 12 6.218 -10.381 -0.576 91 HB3 ARG 12 HB3 ARG 12 7.077 -10.577 -2.086 92 HG2 ARG 12 HG2 ARG 12 9.070 -9.584 -1.072 93 HG3 ARG 12 HG3 ARG 12 8.208 -9.412 0.459 94 HD2 ARG 12 HD2 ARG 12 7.845 -11.828 0.528 95 HD3 ARG 12 HD3 ARG 12 8.662 -11.998 -1.017 96 HE ARG 12 HE ARG 12 10.266 -10.768 1.001 97 HH11 ARG 12 HH11 ARG 12 9.185 -13.856 -0.348 98 HH12 ARG 12 HH12 ARG 12 10.516 -14.754 0.215 99 HH21 ARG 12 HH21 ARG 12 12.115 -12.009 1.784 100 HH22 ARG 12 HH22 ARG 12 12.224 -13.679 1.462 101 H PHE 13 H PHE 13 4.019 -8.131 -1.223 102 HA PHE 13 HA PHE 13 3.253 -8.882 -3.939 103 HB2 PHE 13 HB2 PHE 13 1.741 -9.466 -1.379 104 HB3 PHE 13 HB3 PHE 13 1.227 -9.887 -3.009 105 HD1 PHE 13 HD1 PHE 13 2.554 -11.566 -4.305 106 HD2 PHE 13 HD2 PHE 13 3.209 -10.864 -0.164 107 HE1 PHE 13 HE1 PHE 13 3.731 -13.719 -4.130 108 HE2 PHE 13 HE2 PHE 13 4.385 -13.011 0.019 109 HZ PHE 13 HZ PHE 13 4.649 -14.442 -1.967 110 H PHE 14 H PHE 14 2.147 -7.329 -4.929 111 HA PHE 14 HA PHE 14 0.984 -5.144 -3.304 112 HB2 PHE 14 HB2 PHE 14 2.187 -5.028 -6.037 113 HB3 PHE 14 HB3 PHE 14 1.608 -3.655 -5.101 114 HD1 PHE 14 HD1 PHE 14 2.948 -2.964 -3.095 115 HD2 PHE 14 HD2 PHE 14 4.346 -5.840 -5.890 116 HE1 PHE 14 HE1 PHE 14 5.232 -2.640 -2.287 117 HE2 PHE 14 HE2 PHE 14 6.629 -5.528 -5.099 118 HZ PHE 14 HZ PHE 14 7.094 -3.925 -3.287 119 H GLU 15 H GLU 15 -0.978 -4.366 -4.104 120 HA GLU 15 HA GLU 15 -2.262 -6.264 -5.832 121 HB2 GLU 15 HB2 GLU 15 -3.415 -3.880 -4.438 122 HB3 GLU 15 HB3 GLU 15 -4.347 -4.982 -5.441 123 HG2 GLU 15 HG2 GLU 15 -3.529 -6.797 -3.934 124 HG3 GLU 15 HG3 GLU 15 -2.976 -5.514 -2.854 125 H SER 16 H SER 16 -3.113 -5.913 -7.744 126 HA SER 16 HA SER 16 -2.085 -3.585 -9.183 127 HB2 SER 16 HB2 SER 16 -2.897 -6.308 -10.224 128 HB3 SER 16 HB3 SER 16 -2.232 -4.993 -11.202 129 HG SER 16 HG SER 16 -0.599 -5.213 -9.238 130 H HIS 17 H HIS 17 -4.779 -4.414 -7.696 131 HA HIS 17 HA HIS 17 -6.365 -2.585 -9.292 132 HB2 HIS 17 HB2 HIS 17 -6.935 -4.861 -10.203 133 HB3 HIS 17 HB3 HIS 17 -7.468 -5.313 -8.584 134 HD1 HIS 17 HD1 HIS 17 -9.928 -5.016 -8.248 135 HD2 HIS 17 HD2 HIS 17 -8.404 -2.381 -11.075 136 HE1 HIS 17 HE1 HIS 17 -11.861 -3.688 -9.045 137 HE2 HIS 17 HE2 HIS 17 -10.944 -2.423 -11.033 138 H VAL 18 H VAL 18 -6.417 -1.140 -7.749 139 HA VAL 18 HA VAL 18 -7.640 -2.001 -5.242 140 HB VAL 18 HB VAL 18 -5.464 0.103 -5.458 141 HG11 VAL 18 HG11 VAL 18 -6.798 -1.072 -3.005 142 HG12 VAL 18 HG12 VAL 18 -6.996 0.564 -3.619 143 HG13 VAL 18 HG13 VAL 18 -5.438 0.049 -2.979 144 HG21 VAL 18 HG21 VAL 18 -4.008 -1.473 -4.245 145 HG22 VAL 18 HG22 VAL 18 -4.507 -2.101 -5.812 146 HG23 VAL 18 HG23 VAL 18 -5.270 -2.699 -4.345 147 H ALA 19 H ALA 19 -9.089 -0.310 -4.321 148 HA ALA 19 HA ALA 19 -9.734 1.686 -6.330 149 HB1 ALA 19 HB1 ALA 19 -11.389 0.545 -4.074 150 HB2 ALA 19 HB2 ALA 19 -11.565 0.158 -5.788 151 HB3 ALA 19 HB3 ALA 19 -11.923 1.783 -5.207 152 H ARG 20 H ARG 20 -9.165 3.684 -5.864 153 HA ARG 20 HA ARG 20 -7.841 4.444 -3.520 154 HB2 ARG 20 HB2 ARG 20 -7.538 5.646 -5.593 155 HB3 ARG 20 HB3 ARG 20 -9.225 6.133 -5.600 156 HG2 ARG 20 HG2 ARG 20 -8.865 7.525 -3.660 157 HG3 ARG 20 HG3 ARG 20 -7.199 6.961 -3.538 158 HD2 ARG 20 HD2 ARG 20 -6.646 7.924 -5.612 159 HD3 ARG 20 HD3 ARG 20 -8.321 8.398 -5.934 160 HE ARG 20 HE ARG 20 -7.358 9.474 -3.494 161 HH11 ARG 20 HH11 ARG 20 -7.112 9.982 -6.983 162 HH12 ARG 20 HH12 ARG 20 -6.876 11.649 -6.885 163 HH21 ARG 20 HH21 ARG 20 -7.031 11.752 -3.331 164 HH22 ARG 20 HH22 ARG 20 -6.833 12.697 -4.748 165 H ALA 21 H ALA 21 -11.186 4.501 -4.365 166 HA ALA 21 HA ALA 21 -12.070 6.148 -2.232 167 HB1 ALA 21 HB1 ALA 21 -13.633 4.112 -3.811 168 HB2 ALA 21 HB2 ALA 21 -13.409 5.802 -4.262 169 HB3 ALA 21 HB3 ALA 21 -14.307 5.388 -2.800 170 H ASN 22 H ASN 22 -10.905 2.909 -2.295 171 HA ASN 22 HA ASN 22 -12.306 2.238 0.234 172 HB2 ASN 22 HB2 ASN 22 -12.453 0.630 -1.683 173 HB3 ASN 22 HB3 ASN 22 -10.697 0.491 -1.623 174 HD21 ASN 22 HD21 ASN 22 -10.549 -1.513 -1.024 175 HD22 ASN 22 HD22 ASN 22 -11.113 -2.218 0.439 176 H VAL 23 H VAL 23 -9.516 3.683 -0.776 177 HA VAL 23 HA VAL 23 -7.873 2.247 1.098 178 HB VAL 23 HB VAL 23 -7.232 4.734 -0.482 179 HG11 VAL 23 HG11 VAL 23 -4.908 4.182 0.104 180 HG12 VAL 23 HG12 VAL 23 -5.523 2.912 1.171 181 HG13 VAL 23 HG13 VAL 23 -5.901 4.597 1.505 182 HG21 VAL 23 HG21 VAL 23 -5.899 3.234 -1.889 183 HG22 VAL 23 HG22 VAL 23 -7.607 2.788 -1.915 184 HG23 VAL 23 HG23 VAL 23 -6.468 1.857 -0.950 185 H LYS 24 H LYS 24 -7.841 2.575 3.064 186 HA LYS 24 HA LYS 24 -9.312 4.562 4.418 187 HB2 LYS 24 HB2 LYS 24 -8.432 2.114 5.073 188 HB3 LYS 24 HB3 LYS 24 -7.122 3.038 5.764 189 HG2 LYS 24 HG2 LYS 24 -10.034 3.055 6.573 190 HG3 LYS 24 HG3 LYS 24 -8.663 2.450 7.485 191 HD2 LYS 24 HD2 LYS 24 -9.248 4.476 8.538 192 HD3 LYS 24 HD3 LYS 24 -7.876 4.910 7.519 193 HE2 LYS 24 HE2 LYS 24 -9.396 5.794 5.828 194 HE3 LYS 24 HE3 LYS 24 -10.786 5.304 6.793 195 HZ1 LYS 24 HZ1 LYS 24 -10.287 7.632 6.992 196 HZ2 LYS 24 HZ2 LYS 24 -8.725 7.299 7.552 197 HZ3 LYS 24 HZ3 LYS 24 -10.073 6.870 8.487 198 H HIS 25 H HIS 25 -5.853 3.840 3.880 199 HA HIS 25 HA HIS 25 -5.149 6.608 3.999 200 HB2 HIS 25 HB2 HIS 25 -3.412 6.454 5.728 201 HB3 HIS 25 HB3 HIS 25 -4.988 6.117 6.454 202 HD1 HIS 25 HD1 HIS 25 -3.116 5.370 8.315 203 HD2 HIS 25 HD2 HIS 25 -3.414 2.940 4.975 204 HE1 HIS 25 HE1 HIS 25 -1.894 3.242 8.892 205 HE2 HIS 25 HE2 HIS 25 -1.810 2.012 6.762 206 H LEU 26 H LEU 26 -3.264 7.096 2.919 207 HA LEU 26 HA LEU 26 -1.959 4.841 1.590 208 HB2 LEU 26 HB2 LEU 26 -1.890 7.809 0.973 209 HB3 LEU 26 HB3 LEU 26 -0.872 6.640 0.190 210 HG LEU 26 HG LEU 26 -2.619 7.254 -1.274 211 HD11 LEU 26 HD11 LEU 26 -3.680 5.100 -1.751 212 HD12 LEU 26 HD12 LEU 26 -3.026 4.482 -0.235 213 HD13 LEU 26 HD13 LEU 26 -1.935 5.029 -1.506 214 HD21 LEU 26 HD21 LEU 26 -4.290 8.067 0.285 215 HD22 LEU 26 HD22 LEU 26 -4.583 6.428 0.866 216 HD23 LEU 26 HD23 LEU 26 -5.011 6.864 -0.789 217 H LYS 27 H LYS 27 0.094 4.341 2.009 218 HA LYS 27 HA LYS 27 1.801 6.325 3.240 219 HB2 LYS 27 HB2 LYS 27 1.031 5.029 5.111 220 HB3 LYS 27 HB3 LYS 27 1.341 3.496 4.352 221 HG2 LYS 27 HG2 LYS 27 3.786 4.162 4.304 222 HG3 LYS 27 HG3 LYS 27 3.339 5.554 5.286 223 HD2 LYS 27 HD2 LYS 27 2.944 2.653 6.023 224 HD3 LYS 27 HD3 LYS 27 4.196 3.716 6.658 225 HE2 LYS 27 HE2 LYS 27 2.405 5.172 7.588 226 HE3 LYS 27 HE3 LYS 27 1.215 3.998 7.024 227 HZ1 LYS 27 HZ1 LYS 27 3.392 3.429 8.952 228 HZ2 LYS 27 HZ2 LYS 27 2.210 2.330 8.461 229 HZ3 LYS 27 HZ3 LYS 27 1.787 3.690 9.368 230 H ILE 28 H ILE 28 3.638 6.370 2.032 231 HA ILE 28 HA ILE 28 4.142 3.960 0.459 232 HB ILE 28 HB ILE 28 4.862 6.815 -0.330 233 HG12 ILE 28 HG12 ILE 28 2.798 4.896 -1.413 234 HG13 ILE 28 HG13 ILE 28 2.454 6.362 -0.506 235 HG21 ILE 28 HG21 ILE 28 6.511 5.175 -1.168 236 HG22 ILE 28 HG22 ILE 28 5.504 5.828 -2.476 237 HG23 ILE 28 HG23 ILE 28 5.173 4.221 -1.841 238 HD11 ILE 28 HD11 ILE 28 3.667 6.172 -3.261 239 HD12 ILE 28 HD12 ILE 28 3.383 7.683 -2.386 240 HD13 ILE 28 HD13 ILE 28 2.028 6.656 -2.873 241 H LEU 29 H LEU 29 5.962 2.921 0.782 242 HA LEU 29 HA LEU 29 7.838 4.230 2.577 243 HB2 LEU 29 HB2 LEU 29 6.573 2.412 3.625 244 HB3 LEU 29 HB3 LEU 29 7.130 1.316 2.381 245 HG LEU 29 HG LEU 29 9.399 1.427 3.188 246 HD11 LEU 29 HD11 LEU 29 9.972 2.724 5.203 247 HD12 LEU 29 HD12 LEU 29 8.342 3.402 5.228 248 HD13 LEU 29 HD13 LEU 29 9.433 3.779 3.897 249 HD21 LEU 29 HD21 LEU 29 9.086 0.425 5.386 250 HD22 LEU 29 HD22 LEU 29 7.866 -0.150 4.253 251 HD23 LEU 29 HD23 LEU 29 7.446 1.069 5.454 252 H ASN 30 H ASN 30 9.640 4.678 1.729 253 HA ASN 30 HA ASN 30 10.603 3.405 -0.693 254 HB2 ASN 30 HB2 ASN 30 11.879 5.626 0.986 255 HB3 ASN 30 HB3 ASN 30 12.345 5.070 -0.619 256 HD21 ASN 30 HD21 ASN 30 9.919 6.808 1.183 257 HD22 ASN 30 HD22 ASN 30 9.231 7.642 -0.152 258 H THR 31 H THR 31 11.919 1.626 -0.528 259 HA THR 31 HA THR 31 13.366 1.345 1.987 260 HB THR 31 HB THR 31 12.153 -0.798 0.217 261 HG1 THR 31 HG1 THR 31 11.138 0.800 2.031 262 HG21 THR 31 HG21 THR 31 12.646 -2.295 2.033 263 HG22 THR 31 HG22 THR 31 13.410 -0.989 2.951 264 HG23 THR 31 HG23 THR 31 14.148 -1.559 1.441 265 HA PRO 32 HA PRO 32 16.920 1.727 -0.595 266 HB2 PRO 32 HB2 PRO 32 18.794 0.604 1.041 267 HB3 PRO 32 HB3 PRO 32 18.164 2.246 1.227 268 HG2 PRO 32 HG2 PRO 32 17.447 -0.251 2.682 269 HG3 PRO 32 HG3 PRO 32 17.598 1.403 3.296 270 HD2 PRO 32 HD2 PRO 32 15.214 0.225 2.793 271 HD3 PRO 32 HD3 PRO 32 15.487 1.971 2.638 272 H ASN 33 H ASN 33 16.744 -1.519 0.876 273 HA ASN 33 HA ASN 33 18.257 -2.565 -1.427 274 HB2 ASN 33 HB2 ASN 33 17.392 -4.028 1.100 275 HB3 ASN 33 HB3 ASN 33 18.367 -4.714 -0.175 276 HD21 ASN 33 HD21 ASN 33 18.298 -2.538 2.496 277 HD22 ASN 33 HD22 ASN 33 19.996 -2.306 2.674 278 H CYS 34 H CYS 34 15.178 -1.896 -0.853 279 HA CYS 34 HA CYS 34 14.157 -4.118 -2.367 280 HB2 CYS 34 HB2 CYS 34 12.894 -2.630 -0.088 281 HB3 CYS 34 HB3 CYS 34 12.068 -3.777 -1.128 282 H ALA 35 H ALA 35 11.863 -3.327 -3.125 283 HA ALA 35 HA ALA 35 12.398 -1.126 -4.871 284 HB1 ALA 35 HB1 ALA 35 10.278 -1.755 -5.873 285 HB2 ALA 35 HB2 ALA 35 9.977 -2.846 -4.523 286 HB3 ALA 35 HB3 ALA 35 11.300 -3.187 -5.650 287 H LEU 36 H LEU 36 10.396 0.320 -5.240 288 HA LEU 36 HA LEU 36 9.823 1.634 -2.769 289 HB2 LEU 36 HB2 LEU 36 10.317 2.944 -4.804 290 HB3 LEU 36 HB3 LEU 36 8.957 2.233 -5.626 291 HG LEU 36 HG LEU 36 8.690 4.634 -4.842 292 HD11 LEU 36 HD11 LEU 36 6.743 3.281 -5.439 293 HD12 LEU 36 HD12 LEU 36 6.384 4.366 -4.094 294 HD13 LEU 36 HD13 LEU 36 6.677 2.654 -3.789 295 HD21 LEU 36 HD21 LEU 36 8.136 4.978 -2.493 296 HD22 LEU 36 HD22 LEU 36 9.783 4.381 -2.693 297 HD23 LEU 36 HD23 LEU 36 8.514 3.287 -2.156 298 H GLN 37 H GLN 37 8.337 0.898 -1.507 299 HA GLN 37 HA GLN 37 6.149 -0.701 -2.622 300 HB2 GLN 37 HB2 GLN 37 7.351 -0.550 0.112 301 HB3 GLN 37 HB3 GLN 37 5.957 -1.514 -0.308 302 HG2 GLN 37 HG2 GLN 37 7.160 -3.110 -1.276 303 HG3 GLN 37 HG3 GLN 37 8.237 -1.966 -2.075 304 HE21 GLN 37 HE21 GLN 37 9.005 -0.646 0.229 305 HE22 GLN 37 HE22 GLN 37 10.062 -1.634 1.123 306 H ILE 38 H ILE 38 4.144 0.019 -2.526 307 HA ILE 38 HA ILE 38 3.550 2.359 -0.885 308 HB ILE 38 HB ILE 38 1.958 1.014 -3.074 309 HG12 ILE 38 HG12 ILE 38 3.476 3.621 -3.137 310 HG13 ILE 38 HG13 ILE 38 3.998 2.117 -3.891 311 HG21 ILE 38 HG21 ILE 38 0.477 2.097 -1.492 312 HG22 ILE 38 HG22 ILE 38 0.505 3.025 -2.993 313 HG23 ILE 38 HG23 ILE 38 1.398 3.592 -1.588 314 HD11 ILE 38 HD11 ILE 38 1.541 3.700 -4.585 315 HD12 ILE 38 HD12 ILE 38 2.038 2.173 -5.338 316 HD13 ILE 38 HD13 ILE 38 3.041 3.630 -5.500 317 H VAL 39 H VAL 39 2.212 2.131 0.835 318 HA VAL 39 HA VAL 39 0.979 -0.485 1.278 319 HB VAL 39 HB VAL 39 1.993 1.525 3.308 320 HG11 VAL 39 HG11 VAL 39 0.795 -1.209 3.723 321 HG12 VAL 39 HG12 VAL 39 0.064 0.334 4.147 322 HG13 VAL 39 HG13 VAL 39 1.515 -0.211 4.981 323 HG21 VAL 39 HG21 VAL 39 3.846 0.386 2.206 324 HG22 VAL 39 HG22 VAL 39 3.120 -1.181 2.571 325 HG23 VAL 39 HG23 VAL 39 3.698 -0.151 3.879 326 H ALA 40 H ALA 40 -1.134 -0.446 1.632 327 HA ALA 40 HA ALA 40 -2.459 2.092 2.243 328 HB1 ALA 40 HB1 ALA 40 -2.541 1.853 -0.179 329 HB2 ALA 40 HB2 ALA 40 -4.138 1.678 0.542 330 HB3 ALA 40 HB3 ALA 40 -3.250 0.255 0.004 331 H ARG 41 H ARG 41 -4.321 1.827 3.287 332 HA ARG 41 HA ARG 41 -4.853 -0.944 4.076 333 HB2 ARG 41 HB2 ARG 41 -4.157 0.862 5.929 334 HB3 ARG 41 HB3 ARG 41 -5.748 1.434 5.639 335 HG2 ARG 41 HG2 ARG 41 -6.829 -0.457 6.370 336 HG3 ARG 41 HG3 ARG 41 -5.381 -1.453 6.246 337 HD2 ARG 41 HD2 ARG 41 -5.727 -1.079 8.529 338 HD3 ARG 41 HD3 ARG 41 -4.385 -0.076 7.999 339 HE ARG 41 HE ARG 41 -6.920 1.282 8.002 340 HH11 ARG 41 HH11 ARG 41 -4.101 0.409 9.989 341 HH12 ARG 41 HH12 ARG 41 -4.391 1.618 11.161 342 HH21 ARG 41 HH21 ARG 41 -7.316 2.951 9.715 343 HH22 ARG 41 HH22 ARG 41 -6.193 3.051 10.983 344 H LEU 42 H LEU 42 -6.918 -1.623 3.849 345 HA LEU 42 HA LEU 42 -8.564 0.035 2.159 346 HB2 LEU 42 HB2 LEU 42 -9.205 -2.635 3.425 347 HB3 LEU 42 HB3 LEU 42 -10.071 -1.909 2.120 348 HG LEU 42 HG LEU 42 -7.266 -2.974 2.037 349 HD11 LEU 42 HD11 LEU 42 -8.166 -4.541 0.434 350 HD12 LEU 42 HD12 LEU 42 -9.782 -3.889 0.694 351 HD13 LEU 42 HD13 LEU 42 -8.925 -4.684 2.018 352 HD21 LEU 42 HD21 LEU 42 -7.277 -2.448 -0.355 353 HD22 LEU 42 HD22 LEU 42 -7.372 -0.997 0.643 354 HD23 LEU 42 HD23 LEU 42 -8.820 -1.613 -0.158 355 H LYS 43 H LYS 43 -10.836 0.559 2.781 356 HA LYS 43 HA LYS 43 -10.820 1.312 5.571 357 HB2 LYS 43 HB2 LYS 43 -12.465 3.019 4.923 358 HB3 LYS 43 HB3 LYS 43 -11.025 3.028 3.905 359 HG2 LYS 43 HG2 LYS 43 -12.289 1.869 2.197 360 HG3 LYS 43 HG3 LYS 43 -13.717 1.990 3.239 361 HD2 LYS 43 HD2 LYS 43 -12.127 4.308 2.145 362 HD3 LYS 43 HD3 LYS 43 -13.700 3.782 1.562 363 HE2 LYS 43 HE2 LYS 43 -14.659 4.260 3.753 364 HE3 LYS 43 HE3 LYS 43 -13.094 4.809 4.327 365 HZ1 LYS 43 HZ1 LYS 43 -14.444 6.691 3.668 366 HZ2 LYS 43 HZ2 LYS 43 -14.653 6.082 2.130 367 HZ3 LYS 43 HZ3 LYS 43 -13.116 6.557 2.638 368 H ASN 44 H ASN 44 -12.957 -0.194 3.229 369 HA ASN 44 HA ASN 44 -14.904 -0.799 5.272 370 HB2 ASN 44 HB2 ASN 44 -16.218 -1.964 3.631 371 HB3 ASN 44 HB3 ASN 44 -15.573 -0.536 2.850 372 HD21 ASN 44 HD21 ASN 44 -16.613 -2.977 1.690 373 HD22 ASN 44 HD22 ASN 44 -15.376 -3.661 0.715 374 H ASN 45 H ASN 45 -12.347 -2.502 3.755 375 HA ASN 45 HA ASN 45 -12.918 -4.922 5.287 376 HB2 ASN 45 HB2 ASN 45 -12.342 -5.063 2.865 377 HB3 ASN 45 HB3 ASN 45 -10.759 -4.403 3.229 378 HD21 ASN 45 HD21 ASN 45 -9.814 -6.292 2.312 379 HD22 ASN 45 HD22 ASN 45 -9.820 -7.769 3.177 380 H ASN 46 H ASN 46 -10.792 -2.223 5.218 381 HA ASN 46 HA ASN 46 -9.261 -1.345 6.637 382 HB2 ASN 46 HB2 ASN 46 -11.149 -1.588 8.219 383 HB3 ASN 46 HB3 ASN 46 -10.603 -3.199 8.641 384 HD21 ASN 46 HD21 ASN 46 -9.003 -3.411 10.131 385 HD22 ASN 46 HD22 ASN 46 -8.304 -2.089 10.999 386 H ARG 47 H ARG 47 -8.679 -4.253 5.361 387 HA ARG 47 HA ARG 47 -6.469 -4.939 6.977 388 HB2 ARG 47 HB2 ARG 47 -7.404 -5.767 4.277 389 HB3 ARG 47 HB3 ARG 47 -6.094 -6.544 5.155 390 HG2 ARG 47 HG2 ARG 47 -7.636 -7.051 6.955 391 HG3 ARG 47 HG3 ARG 47 -8.952 -6.336 6.013 392 HD2 ARG 47 HD2 ARG 47 -8.462 -7.890 4.218 393 HD3 ARG 47 HD3 ARG 47 -7.174 -8.500 5.270 394 HE ARG 47 HE ARG 47 -9.425 -8.730 6.773 395 HH11 ARG 47 HH11 ARG 47 -8.508 -10.053 3.603 396 HH12 ARG 47 HH12 ARG 47 -9.533 -11.389 3.728 397 HH21 ARG 47 HH21 ARG 47 -10.850 -10.579 6.908 398 HH22 ARG 47 HH22 ARG 47 -10.902 -11.697 5.632 399 H GLN 48 H GLN 48 -4.377 -4.575 6.544 400 HA GLN 48 HA GLN 48 -3.748 -2.387 4.810 401 HB2 GLN 48 HB2 GLN 48 -2.907 -2.414 7.080 402 HB3 GLN 48 HB3 GLN 48 -2.144 -3.986 6.814 403 HG2 GLN 48 HG2 GLN 48 -0.807 -2.900 5.095 404 HG3 GLN 48 HG3 GLN 48 -1.607 -1.401 5.555 405 HE21 GLN 48 HE21 GLN 48 1.260 -2.324 5.739 406 HE22 GLN 48 HE22 GLN 48 1.738 -2.004 7.354 407 H VAL 49 H VAL 49 -3.059 -2.730 2.802 408 HA VAL 49 HA VAL 49 -1.689 -5.236 2.175 409 HB VAL 49 HB VAL 49 -2.753 -5.272 -0.033 410 HG11 VAL 49 HG11 VAL 49 -5.036 -5.911 0.600 411 HG12 VAL 49 HG12 VAL 49 -4.789 -5.169 2.182 412 HG13 VAL 49 HG13 VAL 49 -3.828 -6.567 1.704 413 HG21 VAL 49 HG21 VAL 49 -3.161 -2.892 -0.341 414 HG22 VAL 49 HG22 VAL 49 -4.400 -2.915 0.919 415 HG23 VAL 49 HG23 VAL 49 -4.643 -3.806 -0.590 416 H CYS 50 H CYS 50 -0.638 -4.877 -0.125 417 HA CYS 50 HA CYS 50 0.685 -2.276 0.033 418 HB2 CYS 50 HB2 CYS 50 1.781 -4.773 -1.286 419 HB3 CYS 50 HB3 CYS 50 2.609 -3.295 -0.882 420 H ILE 51 H ILE 51 0.981 -1.151 -1.875 421 HA ILE 51 HA ILE 51 -0.732 -2.024 -4.084 422 HB ILE 51 HB ILE 51 -0.053 0.814 -3.259 423 HG12 ILE 51 HG12 ILE 51 -2.515 -0.856 -2.994 424 HG13 ILE 51 HG13 ILE 51 -1.602 -0.076 -1.734 425 HG21 ILE 51 HG21 ILE 51 -0.268 0.626 -5.661 426 HG22 ILE 51 HG22 ILE 51 -1.654 1.488 -4.976 427 HG23 ILE 51 HG23 ILE 51 -1.810 -0.205 -5.458 428 HD11 ILE 51 HD11 ILE 51 -2.244 2.142 -2.539 429 HD12 ILE 51 HD12 ILE 51 -3.666 1.172 -2.148 430 HD13 ILE 51 HD13 ILE 51 -3.190 1.404 -3.829 431 H ASP 52 H ASP 52 0.009 -1.889 -6.112 432 HA ASP 52 HA ASP 52 2.850 -1.827 -6.466 433 HB2 ASP 52 HB2 ASP 52 1.514 -3.448 -7.503 434 HB3 ASP 52 HB3 ASP 52 0.565 -2.233 -8.386 435 HA PRO 53 HA PRO 53 2.867 2.488 -7.361 436 HB2 PRO 53 HB2 PRO 53 5.381 2.656 -8.372 437 HB3 PRO 53 HB3 PRO 53 5.025 2.511 -6.648 438 HG2 PRO 53 HG2 PRO 53 5.861 0.392 -8.585 439 HG3 PRO 53 HG3 PRO 53 6.371 0.675 -6.908 440 HD2 PRO 53 HD2 PRO 53 4.560 -1.210 -7.588 441 HD3 PRO 53 HD3 PRO 53 4.531 -0.357 -6.030 442 H LYS 54 H LYS 54 2.726 0.110 -9.791 443 HA LYS 54 HA LYS 54 3.065 2.116 -11.895 444 HB2 LYS 54 HB2 LYS 54 2.782 -0.887 -12.201 445 HB3 LYS 54 HB3 LYS 54 3.227 0.280 -13.454 446 HG2 LYS 54 HG2 LYS 54 4.808 -0.451 -11.026 447 HG3 LYS 54 HG3 LYS 54 5.153 -0.899 -12.698 448 HD2 LYS 54 HD2 LYS 54 5.561 1.377 -13.295 449 HD3 LYS 54 HD3 LYS 54 4.989 1.948 -11.728 450 HE2 LYS 54 HE2 LYS 54 7.331 1.989 -11.662 451 HE3 LYS 54 HE3 LYS 54 6.647 0.670 -10.682 452 HZ1 LYS 54 HZ1 LYS 54 8.640 -0.056 -11.976 453 HZ2 LYS 54 HZ2 LYS 54 7.802 0.288 -13.395 454 HZ3 LYS 54 HZ3 LYS 54 7.263 -0.938 -12.359 455 H LEU 55 H LEU 55 0.710 1.306 -9.969 456 HA LEU 55 HA LEU 55 -1.442 0.874 -11.772 457 HB2 LEU 55 HB2 LEU 55 -1.230 1.888 -9.004 458 HB3 LEU 55 HB3 LEU 55 -2.756 1.971 -9.805 459 HG LEU 55 HG LEU 55 -1.218 -0.578 -9.200 460 HD11 LEU 55 HD11 LEU 55 -3.773 0.539 -8.053 461 HD12 LEU 55 HD12 LEU 55 -2.210 0.563 -7.240 462 HD13 LEU 55 HD13 LEU 55 -3.003 -0.976 -7.589 463 HD21 LEU 55 HD21 LEU 55 -3.300 -1.672 -9.858 464 HD22 LEU 55 HD22 LEU 55 -2.572 -0.814 -11.233 465 HD23 LEU 55 HD23 LEU 55 -3.953 -0.135 -10.353 466 H LYS 56 H LYS 56 -2.892 2.315 -12.604 467 HA LYS 56 HA LYS 56 -1.662 4.725 -13.473 468 HB2 LYS 56 HB2 LYS 56 -4.478 3.780 -13.985 469 HB3 LYS 56 HB3 LYS 56 -3.711 5.165 -14.742 470 HG2 LYS 56 HG2 LYS 56 -2.006 3.656 -15.697 471 HG3 LYS 56 HG3 LYS 56 -2.866 2.298 -14.985 472 HD2 LYS 56 HD2 LYS 56 -3.519 2.388 -17.271 473 HD3 LYS 56 HD3 LYS 56 -4.873 2.973 -16.317 474 HE2 LYS 56 HE2 LYS 56 -2.885 4.772 -17.722 475 HE3 LYS 56 HE3 LYS 56 -4.412 4.273 -18.431 476 HZ1 LYS 56 HZ1 LYS 56 -5.517 5.437 -16.518 477 HZ2 LYS 56 HZ2 LYS 56 -4.664 6.408 -17.557 478 HZ3 LYS 56 HZ3 LYS 56 -4.013 6.084 -16.072 479 H TRP 57 H TRP 57 -4.317 4.065 -11.199 480 HA TRP 57 HA TRP 57 -4.730 6.871 -10.886 481 HB2 TRP 57 HB2 TRP 57 -6.240 6.394 -9.058 482 HB3 TRP 57 HB3 TRP 57 -6.536 5.223 -10.317 483 HD1 TRP 57 HD1 TRP 57 -6.073 2.643 -9.687 484 HE1 TRP 57 HE1 TRP 57 -5.752 1.476 -7.451 485 HE3 TRP 57 HE3 TRP 57 -5.125 6.727 -6.775 486 HZ2 TRP 57 HZ2 TRP 57 -5.155 2.172 -4.777 487 HZ3 TRP 57 HZ3 TRP 57 -4.695 6.395 -4.383 488 HH2 TRP 57 HH2 TRP 57 -4.716 4.199 -3.402 489 H ILE 58 H ILE 58 -2.568 4.606 -9.631 490 HA ILE 58 HA ILE 58 -1.624 6.134 -7.442 491 HB ILE 58 HB ILE 58 -0.466 3.848 -9.020 492 HG12 ILE 58 HG12 ILE 58 -2.274 3.286 -7.503 493 HG13 ILE 58 HG13 ILE 58 -0.766 2.588 -6.937 494 HG21 ILE 58 HG21 ILE 58 1.336 3.669 -7.419 495 HG22 ILE 58 HG22 ILE 58 0.886 5.218 -6.711 496 HG23 ILE 58 HG23 ILE 58 1.447 5.144 -8.386 497 HD11 ILE 58 HD11 ILE 58 -0.548 4.380 -5.292 498 HD12 ILE 58 HD12 ILE 58 -2.052 3.480 -5.092 499 HD13 ILE 58 HD13 ILE 58 -2.082 5.069 -5.839 500 H GLN 59 H GLN 59 -0.652 5.812 -10.821 501 HA GLN 59 HA GLN 59 1.497 7.605 -10.791 502 HB2 GLN 59 HB2 GLN 59 -0.552 7.188 -12.952 503 HB3 GLN 59 HB3 GLN 59 0.975 8.047 -13.147 504 HG2 GLN 59 HG2 GLN 59 0.672 5.123 -12.460 505 HG3 GLN 59 HG3 GLN 59 1.084 5.763 -14.049 506 HE21 GLN 59 HE21 GLN 59 2.203 5.173 -10.840 507 HE22 GLN 59 HE22 GLN 59 3.868 5.449 -11.140 508 H GLU 60 H GLU 60 -1.944 8.167 -11.279 509 HA GLU 60 HA GLU 60 -1.984 10.929 -11.558 510 HB2 GLU 60 HB2 GLU 60 -3.961 9.182 -10.101 511 HB3 GLU 60 HB3 GLU 60 -4.271 10.813 -10.665 512 HG2 GLU 60 HG2 GLU 60 -3.666 8.427 -12.393 513 HG3 GLU 60 HG3 GLU 60 -5.262 9.118 -12.117 514 H TYR 61 H TYR 61 -2.141 8.946 -8.644 515 HA TYR 61 HA TYR 61 -2.419 10.972 -6.734 516 HB2 TYR 61 HB2 TYR 61 -2.834 8.539 -6.356 517 HB3 TYR 61 HB3 TYR 61 -1.102 8.261 -6.399 518 HD1 TYR 61 HD1 TYR 61 -3.710 10.175 -4.600 519 HD2 TYR 61 HD2 TYR 61 0.144 8.322 -4.323 520 HE1 TYR 61 HE1 TYR 61 -3.668 10.605 -2.188 521 HE2 TYR 61 HE2 TYR 61 0.172 8.759 -1.931 522 HH TYR 61 HH TYR 61 -2.599 9.673 -0.210 523 H LEU 62 H LEU 62 0.499 9.294 -7.874 524 HA LEU 62 HA LEU 62 2.276 10.766 -6.254 525 HB2 LEU 62 HB2 LEU 62 2.686 8.970 -8.594 526 HB3 LEU 62 HB3 LEU 62 4.017 9.934 -8.000 527 HG LEU 62 HG LEU 62 3.813 8.817 -5.788 528 HD11 LEU 62 HD11 LEU 62 1.733 7.135 -7.105 529 HD12 LEU 62 HD12 LEU 62 1.482 8.287 -5.799 530 HD13 LEU 62 HD13 LEU 62 2.455 6.840 -5.515 531 HD21 LEU 62 HD21 LEU 62 5.344 7.990 -7.432 532 HD22 LEU 62 HD22 LEU 62 4.088 6.953 -8.118 533 HD23 LEU 62 HD23 LEU 62 4.681 6.663 -6.477 534 H GLU 63 H GLU 63 1.129 11.286 -9.511 535 HA GLU 63 HA GLU 63 2.992 13.401 -10.000 536 HB2 GLU 63 HB2 GLU 63 0.546 12.520 -11.514 537 HB3 GLU 63 HB3 GLU 63 1.585 13.846 -12.033 538 HG2 GLU 63 HG2 GLU 63 3.466 12.334 -12.196 539 HG3 GLU 63 HG3 GLU 63 2.463 11.008 -11.618 540 H LYS 64 H LYS 64 -0.289 13.131 -8.881 541 HA LYS 64 HA LYS 64 -1.015 15.789 -8.780 542 HB2 LYS 64 HB2 LYS 64 -2.615 14.169 -8.076 543 HB3 LYS 64 HB3 LYS 64 -1.529 13.526 -6.842 544 HG2 LYS 64 HG2 LYS 64 -1.584 15.504 -5.645 545 HG3 LYS 64 HG3 LYS 64 -2.497 16.317 -6.872 546 HD2 LYS 64 HD2 LYS 64 -4.332 14.618 -6.341 547 HD3 LYS 64 HD3 LYS 64 -3.325 14.107 -4.982 548 HE2 LYS 64 HE2 LYS 64 -4.567 16.819 -5.424 549 HE3 LYS 64 HE3 LYS 64 -4.911 15.681 -4.124 550 HZ1 LYS 64 HZ1 LYS 64 -3.506 17.396 -3.280 551 HZ2 LYS 64 HZ2 LYS 64 -2.375 17.212 -4.519 552 HZ3 LYS 64 HZ3 LYS 64 -2.592 16.001 -3.362 553 H ALA 65 H ALA 65 0.223 13.939 -6.286 554 HA ALA 65 HA ALA 65 1.070 15.932 -4.480 555 HB1 ALA 65 HB1 ALA 65 2.407 14.258 -3.328 556 HB2 ALA 65 HB2 ALA 65 2.346 13.212 -4.747 557 HB3 ALA 65 HB3 ALA 65 0.874 13.565 -3.846 558 H LEU 66 H LEU 66 2.820 14.655 -7.255 559 HA LEU 66 HA LEU 66 5.357 15.726 -6.790 560 HB2 LEU 66 HB2 LEU 66 4.627 13.986 -8.455 561 HB3 LEU 66 HB3 LEU 66 3.839 15.245 -9.356 562 HG LEU 66 HG LEU 66 6.788 15.091 -8.894 563 HD11 LEU 66 HD11 LEU 66 5.107 14.166 -11.241 564 HD12 LEU 66 HD12 LEU 66 5.995 13.127 -10.132 565 HD13 LEU 66 HD13 LEU 66 6.868 14.197 -11.234 566 HD21 LEU 66 HD21 LEU 66 5.991 17.331 -9.540 567 HD22 LEU 66 HD22 LEU 66 5.177 16.640 -10.940 568 HD23 LEU 66 HD23 LEU 66 6.935 16.607 -10.847 569 H ASN 67 H ASN 67 2.429 16.943 -8.323 570 HA ASN 67 HA ASN 67 3.637 19.514 -8.904 571 HB2 ASN 67 HB2 ASN 67 2.134 18.557 -10.553 572 HB3 ASN 67 HB3 ASN 67 0.840 18.468 -9.364 573 HD21 ASN 67 HD21 ASN 67 -0.546 19.761 -10.540 574 HD22 ASN 67 HD22 ASN 67 -0.276 21.450 -10.761 575 H LYS 68 H LYS 68 0.730 18.453 -7.074 576 HA LYS 68 HA LYS 68 1.037 20.636 -5.211 577 HB2 LYS 68 HB2 LYS 68 -0.086 21.521 -7.271 578 HB3 LYS 68 HB3 LYS 68 -1.383 20.388 -6.966 579 HG2 LYS 68 HG2 LYS 68 -1.872 21.489 -4.865 580 HG3 LYS 68 HG3 LYS 68 -0.527 22.607 -5.125 581 HD2 LYS 68 HD2 LYS 68 -2.863 22.232 -6.936 582 HD3 LYS 68 HD3 LYS 68 -2.703 23.575 -5.776 583 HE2 LYS 68 HE2 LYS 68 -0.684 24.327 -7.020 584 HE3 LYS 68 HE3 LYS 68 -0.877 22.990 -8.144 585 HZ1 LYS 68 HZ1 LYS 68 -2.795 25.221 -7.774 586 HZ2 LYS 68 HZ2 LYS 68 -2.988 23.908 -8.816 587 HZ3 LYS 68 HZ3 LYS 68 -1.736 24.996 -9.077 Start of MODEL 12 1 H LYS 1 H LYS 1 22.480 -14.771 2.799 2 HA LYS 1 HA LYS 1 23.901 -15.086 0.978 3 HB2 LYS 1 HB2 LYS 1 23.665 -18.047 1.605 4 HB3 LYS 1 HB3 LYS 1 24.414 -17.370 0.166 5 HG2 LYS 1 HG2 LYS 1 26.112 -16.275 1.600 6 HG3 LYS 1 HG3 LYS 1 25.357 -17.029 3.003 7 HD2 LYS 1 HD2 LYS 1 27.293 -18.305 2.337 8 HD3 LYS 1 HD3 LYS 1 25.837 -19.248 2.042 9 HE2 LYS 1 HE2 LYS 1 25.930 -18.636 -0.342 10 HE3 LYS 1 HE3 LYS 1 27.381 -17.686 -0.033 11 HZ1 LYS 1 HZ1 LYS 1 28.529 -19.732 0.588 12 HZ2 LYS 1 HZ2 LYS 1 27.877 -19.861 -0.942 13 HZ3 LYS 1 HZ3 LYS 1 27.114 -20.621 0.338 14 HA PRO 2 HA PRO 2 20.061 -15.150 -1.141 15 HB2 PRO 2 HB2 PRO 2 21.408 -15.583 -3.705 16 HB3 PRO 2 HB3 PRO 2 20.581 -14.141 -3.112 17 HG2 PRO 2 HG2 PRO 2 23.257 -14.246 -3.417 18 HG3 PRO 2 HG3 PRO 2 22.480 -13.299 -2.137 19 HD2 PRO 2 HD2 PRO 2 23.793 -15.978 -1.979 20 HD3 PRO 2 HD3 PRO 2 23.901 -14.594 -0.870 21 H VAL 3 H VAL 3 21.458 -17.912 -0.592 22 HA VAL 3 HA VAL 3 20.109 -19.500 -2.606 23 HB VAL 3 HB VAL 3 21.065 -21.493 -1.479 24 HG11 VAL 3 HG11 VAL 3 22.354 -20.346 -3.193 25 HG12 VAL 3 HG12 VAL 3 23.412 -21.041 -1.964 26 HG13 VAL 3 HG13 VAL 3 23.077 -19.310 -1.969 27 HG21 VAL 3 HG21 VAL 3 22.662 -21.228 0.378 28 HG22 VAL 3 HG22 VAL 3 21.051 -20.670 0.837 29 HG23 VAL 3 HG23 VAL 3 22.308 -19.502 0.434 30 H SER 4 H SER 4 19.762 -18.498 0.619 31 HA SER 4 HA SER 4 17.233 -19.935 0.771 32 HB2 SER 4 HB2 SER 4 18.945 -18.898 3.045 33 HB3 SER 4 HB3 SER 4 17.437 -19.808 3.215 34 HG SER 4 HG SER 4 18.809 -21.306 1.696 35 H LEU 5 H LEU 5 15.688 -18.564 0.224 36 HA LEU 5 HA LEU 5 16.204 -15.773 0.345 37 HB2 LEU 5 HB2 LEU 5 13.990 -15.496 -0.786 38 HB3 LEU 5 HB3 LEU 5 15.182 -16.415 -1.655 39 HG LEU 5 HG LEU 5 13.974 -18.510 -0.976 40 HD11 LEU 5 HD11 LEU 5 11.666 -18.351 -0.194 41 HD12 LEU 5 HD12 LEU 5 11.848 -16.606 -0.014 42 HD13 LEU 5 HD13 LEU 5 12.797 -17.703 0.991 43 HD21 LEU 5 HD21 LEU 5 12.412 -16.467 -2.528 44 HD22 LEU 5 HD22 LEU 5 12.159 -18.210 -2.588 45 HD23 LEU 5 HD23 LEU 5 13.676 -17.515 -3.161 46 H SER 6 H SER 6 14.905 -14.189 1.192 47 HA SER 6 HA SER 6 13.059 -14.881 3.299 48 HB2 SER 6 HB2 SER 6 15.525 -13.153 3.706 49 HB3 SER 6 HB3 SER 6 14.231 -13.375 4.881 50 HG SER 6 HG SER 6 15.233 -15.723 3.958 51 H TYR 7 H TYR 7 12.017 -12.721 4.028 52 HA TYR 7 HA TYR 7 11.684 -11.245 1.624 53 HB2 TYR 7 HB2 TYR 7 10.127 -11.150 4.207 54 HB3 TYR 7 HB3 TYR 7 9.783 -10.117 2.814 55 HD1 TYR 7 HD1 TYR 7 9.226 -11.180 0.618 56 HD2 TYR 7 HD2 TYR 7 9.337 -13.396 4.242 57 HE1 TYR 7 HE1 TYR 7 7.950 -12.977 -0.457 58 HE2 TYR 7 HE2 TYR 7 8.064 -15.210 3.174 59 HH TYR 7 HH TYR 7 6.541 -15.494 1.299 60 H ARG 8 H ARG 8 13.226 -10.068 1.253 61 HA ARG 8 HA ARG 8 14.637 -8.560 3.249 62 HB2 ARG 8 HB2 ARG 8 16.100 -7.902 1.413 63 HB3 ARG 8 HB3 ARG 8 15.835 -9.642 1.412 64 HG2 ARG 8 HG2 ARG 8 14.124 -9.304 -0.375 65 HG3 ARG 8 HG3 ARG 8 14.589 -7.604 -0.419 66 HD2 ARG 8 HD2 ARG 8 16.379 -9.971 -0.993 67 HD3 ARG 8 HD3 ARG 8 15.728 -8.848 -2.185 68 HE ARG 8 HE ARG 8 17.217 -7.467 -0.209 69 HH11 ARG 8 HH11 ARG 8 17.680 -9.538 -3.048 70 HH12 ARG 8 HH12 ARG 8 19.210 -8.903 -3.423 71 HH21 ARG 8 HH21 ARG 8 19.302 -6.662 -0.668 72 HH22 ARG 8 HH22 ARG 8 20.188 -7.222 -2.018 73 H CYS 9 H CYS 9 11.954 -8.150 1.459 74 HA CYS 9 HA CYS 9 12.145 -5.242 1.635 75 HB2 CYS 9 HB2 CYS 9 10.238 -6.874 -0.079 76 HB3 CYS 9 HB3 CYS 9 10.433 -5.140 -0.074 77 HA PRO 10 HA PRO 10 9.193 -5.287 4.978 78 HB2 PRO 10 HB2 PRO 10 8.025 -2.972 3.476 79 HB3 PRO 10 HB3 PRO 10 8.459 -3.099 5.188 80 HG2 PRO 10 HG2 PRO 10 10.023 -1.785 3.520 81 HG3 PRO 10 HG3 PRO 10 10.726 -2.845 4.757 82 HD2 PRO 10 HD2 PRO 10 10.414 -3.300 1.819 83 HD3 PRO 10 HD3 PRO 10 11.738 -3.763 2.904 84 H CYS 11 H CYS 11 8.042 -5.156 1.654 85 HA CYS 11 HA CYS 11 5.581 -6.466 2.594 86 HB2 CYS 11 HB2 CYS 11 5.162 -4.150 1.711 87 HB3 CYS 11 HB3 CYS 11 5.809 -4.690 0.170 88 H ARG 12 H ARG 12 4.625 -8.008 1.142 89 HA ARG 12 HA ARG 12 6.641 -9.431 -0.400 90 HB2 ARG 12 HB2 ARG 12 3.876 -10.326 0.503 91 HB3 ARG 12 HB3 ARG 12 4.971 -11.295 -0.449 92 HG2 ARG 12 HG2 ARG 12 5.033 -12.067 1.818 93 HG3 ARG 12 HG3 ARG 12 6.565 -11.283 1.465 94 HD2 ARG 12 HD2 ARG 12 5.797 -9.273 2.648 95 HD3 ARG 12 HD3 ARG 12 4.250 -10.059 2.959 96 HE ARG 12 HE ARG 12 5.960 -11.791 4.017 97 HH11 ARG 12 HH11 ARG 12 5.622 -8.268 4.445 98 HH12 ARG 12 HH12 ARG 12 6.245 -8.284 6.021 99 HH21 ARG 12 HH21 ARG 12 6.816 -11.751 6.195 100 HH22 ARG 12 HH22 ARG 12 6.927 -10.271 7.031 101 H PHE 13 H PHE 13 3.120 -9.001 -0.799 102 HA PHE 13 HA PHE 13 3.638 -8.583 -3.656 103 HB2 PHE 13 HB2 PHE 13 1.484 -9.624 -4.136 104 HB3 PHE 13 HB3 PHE 13 2.497 -10.712 -3.194 105 HD1 PHE 13 HD1 PHE 13 1.967 -11.069 -0.781 106 HD2 PHE 13 HD2 PHE 13 -0.615 -8.896 -3.374 107 HE1 PHE 13 HE1 PHE 13 0.127 -11.352 0.818 108 HE2 PHE 13 HE2 PHE 13 -2.464 -9.175 -1.778 109 HZ PHE 13 HZ PHE 13 -2.099 -10.402 0.319 110 H PHE 14 H PHE 14 2.285 -7.157 -4.775 111 HA PHE 14 HA PHE 14 1.009 -5.048 -3.102 112 HB2 PHE 14 HB2 PHE 14 2.067 -4.794 -5.888 113 HB3 PHE 14 HB3 PHE 14 1.678 -3.507 -4.761 114 HD1 PHE 14 HD1 PHE 14 3.174 -3.909 -2.420 115 HD2 PHE 14 HD2 PHE 14 4.267 -4.929 -6.400 116 HE1 PHE 14 HE1 PHE 14 5.487 -3.829 -1.784 117 HE2 PHE 14 HE2 PHE 14 6.630 -4.855 -5.772 118 HZ PHE 14 HZ PHE 14 7.266 -4.299 -3.452 119 H GLU 15 H GLU 15 -1.082 -4.558 -3.588 120 HA GLU 15 HA GLU 15 -2.443 -6.421 -5.218 121 HB2 GLU 15 HB2 GLU 15 -2.971 -4.999 -2.998 122 HB3 GLU 15 HB3 GLU 15 -3.655 -3.929 -4.207 123 HG2 GLU 15 HG2 GLU 15 -4.405 -6.771 -3.635 124 HG3 GLU 15 HG3 GLU 15 -5.302 -5.281 -3.323 125 H SER 16 H SER 16 -3.316 -5.936 -7.266 126 HA SER 16 HA SER 16 -2.332 -3.447 -8.495 127 HB2 SER 16 HB2 SER 16 -2.651 -6.159 -9.781 128 HB3 SER 16 HB3 SER 16 -2.028 -4.700 -10.554 129 HG SER 16 HG SER 16 -0.845 -5.366 -8.177 130 H HIS 17 H HIS 17 -5.182 -4.348 -7.371 131 HA HIS 17 HA HIS 17 -6.599 -3.240 -9.684 132 HB2 HIS 17 HB2 HIS 17 -6.785 -5.785 -9.558 133 HB3 HIS 17 HB3 HIS 17 -7.592 -5.576 -8.014 134 HD1 HIS 17 HD1 HIS 17 -8.079 -5.029 -11.697 135 HD2 HIS 17 HD2 HIS 17 -10.287 -4.892 -8.192 136 HE1 HIS 17 HE1 HIS 17 -10.466 -4.821 -12.414 137 HE2 HIS 17 HE2 HIS 17 -11.783 -4.682 -10.300 138 H VAL 18 H VAL 18 -5.539 -2.201 -7.234 139 HA VAL 18 HA VAL 18 -7.440 -2.005 -5.175 140 HB VAL 18 HB VAL 18 -5.192 -0.085 -5.754 141 HG11 VAL 18 HG11 VAL 18 -6.613 -0.741 -3.163 142 HG12 VAL 18 HG12 VAL 18 -6.754 0.753 -4.075 143 HG13 VAL 18 HG13 VAL 18 -5.219 0.325 -3.316 144 HG21 VAL 18 HG21 VAL 18 -3.834 -1.453 -4.268 145 HG22 VAL 18 HG22 VAL 18 -4.369 -2.367 -5.679 146 HG23 VAL 18 HG23 VAL 18 -5.169 -2.600 -4.118 147 H ALA 19 H ALA 19 -8.927 -0.343 -4.677 148 HA ALA 19 HA ALA 19 -9.338 1.626 -6.791 149 HB1 ALA 19 HB1 ALA 19 -11.216 0.607 -4.648 150 HB2 ALA 19 HB2 ALA 19 -11.263 0.164 -6.357 151 HB3 ALA 19 HB3 ALA 19 -11.616 1.821 -5.863 152 H ARG 20 H ARG 20 -9.054 3.727 -6.271 153 HA ARG 20 HA ARG 20 -7.776 4.430 -3.823 154 HB2 ARG 20 HB2 ARG 20 -7.355 5.601 -5.965 155 HB3 ARG 20 HB3 ARG 20 -8.995 6.217 -5.941 156 HG2 ARG 20 HG2 ARG 20 -8.510 7.578 -4.004 157 HG3 ARG 20 HG3 ARG 20 -6.899 6.864 -3.862 158 HD2 ARG 20 HD2 ARG 20 -6.297 7.714 -6.005 159 HD3 ARG 20 HD3 ARG 20 -7.888 8.438 -6.240 160 HE ARG 20 HE ARG 20 -6.696 9.421 -3.876 161 HH11 ARG 20 HH11 ARG 20 -6.388 9.674 -7.407 162 HH12 ARG 20 HH12 ARG 20 -5.709 11.235 -7.377 163 HH21 ARG 20 HH21 ARG 20 -5.698 11.594 -3.866 164 HH22 ARG 20 HH22 ARG 20 -5.319 12.328 -5.351 165 H ALA 21 H ALA 21 -10.949 4.196 -4.883 166 HA ALA 21 HA ALA 21 -12.238 5.889 -3.001 167 HB1 ALA 21 HB1 ALA 21 -13.256 3.529 -4.555 168 HB2 ALA 21 HB2 ALA 21 -13.271 5.207 -5.100 169 HB3 ALA 21 HB3 ALA 21 -14.257 4.718 -3.719 170 H ASN 22 H ASN 22 -10.607 2.904 -2.636 171 HA ASN 22 HA ASN 22 -12.221 2.129 -0.258 172 HB2 ASN 22 HB2 ASN 22 -12.069 0.499 -2.156 173 HB3 ASN 22 HB3 ASN 22 -10.330 0.455 -1.888 174 HD21 ASN 22 HD21 ASN 22 -10.179 -1.549 -1.269 175 HD22 ASN 22 HD22 ASN 22 -10.864 -2.264 0.137 176 H VAL 23 H VAL 23 -9.282 3.691 -1.069 177 HA VAL 23 HA VAL 23 -7.934 2.427 1.081 178 HB VAL 23 HB VAL 23 -6.090 3.905 0.515 179 HG11 VAL 23 HG11 VAL 23 -7.238 2.407 -1.838 180 HG12 VAL 23 HG12 VAL 23 -6.228 1.733 -0.558 181 HG13 VAL 23 HG13 VAL 23 -5.553 2.905 -1.688 182 HG21 VAL 23 HG21 VAL 23 -7.251 5.845 -0.333 183 HG22 VAL 23 HG22 VAL 23 -7.862 4.923 -1.702 184 HG23 VAL 23 HG23 VAL 23 -6.135 5.257 -1.566 185 H LYS 24 H LYS 24 -8.143 3.028 3.088 186 HA LYS 24 HA LYS 24 -9.417 5.504 3.639 187 HB2 LYS 24 HB2 LYS 24 -9.232 4.950 6.065 188 HB3 LYS 24 HB3 LYS 24 -10.065 3.753 5.098 189 HG2 LYS 24 HG2 LYS 24 -8.207 2.281 5.196 190 HG3 LYS 24 HG3 LYS 24 -7.191 3.534 5.916 191 HD2 LYS 24 HD2 LYS 24 -8.041 1.862 7.559 192 HD3 LYS 24 HD3 LYS 24 -8.488 3.527 7.928 193 HE2 LYS 24 HE2 LYS 24 -10.687 3.155 7.009 194 HE3 LYS 24 HE3 LYS 24 -10.247 1.508 6.559 195 HZ1 LYS 24 HZ1 LYS 24 -11.539 1.724 8.677 196 HZ2 LYS 24 HZ2 LYS 24 -10.257 2.552 9.345 197 HZ3 LYS 24 HZ3 LYS 24 -10.082 0.938 8.922 198 H HIS 25 H HIS 25 -6.157 4.301 3.600 199 HA HIS 25 HA HIS 25 -5.204 6.960 3.964 200 HB2 HIS 25 HB2 HIS 25 -3.631 6.569 5.791 201 HB3 HIS 25 HB3 HIS 25 -5.266 6.242 6.391 202 HD1 HIS 25 HD1 HIS 25 -3.236 5.440 8.156 203 HD2 HIS 25 HD2 HIS 25 -3.995 3.058 4.863 204 HE1 HIS 25 HE1 HIS 25 -2.203 3.238 8.684 205 HE2 HIS 25 HE2 HIS 25 -2.371 1.955 6.603 206 H LEU 26 H LEU 26 -3.164 7.335 3.174 207 HA LEU 26 HA LEU 26 -1.994 5.086 1.703 208 HB2 LEU 26 HB2 LEU 26 -1.869 8.058 1.122 209 HB3 LEU 26 HB3 LEU 26 -0.939 6.858 0.265 210 HG LEU 26 HG LEU 26 -2.724 7.502 -1.131 211 HD11 LEU 26 HD11 LEU 26 -3.937 5.447 -1.522 212 HD12 LEU 26 HD12 LEU 26 -3.399 4.826 0.036 213 HD13 LEU 26 HD13 LEU 26 -2.221 5.173 -1.233 214 HD21 LEU 26 HD21 LEU 26 -4.236 8.500 0.497 215 HD22 LEU 26 HD22 LEU 26 -4.636 6.905 1.135 216 HD23 LEU 26 HD23 LEU 26 -5.103 7.341 -0.509 217 H LYS 27 H LYS 27 0.005 4.481 2.219 218 HA LYS 27 HA LYS 27 1.784 6.330 3.629 219 HB2 LYS 27 HB2 LYS 27 0.659 4.816 5.268 220 HB3 LYS 27 HB3 LYS 27 1.232 3.433 4.369 221 HG2 LYS 27 HG2 LYS 27 3.558 4.123 4.851 222 HG3 LYS 27 HG3 LYS 27 2.930 5.460 5.809 223 HD2 LYS 27 HD2 LYS 27 2.457 2.522 6.349 224 HD3 LYS 27 HD3 LYS 27 3.561 3.565 7.235 225 HE2 LYS 27 HE2 LYS 27 0.547 3.848 7.101 226 HE3 LYS 27 HE3 LYS 27 1.478 3.242 8.461 227 HZ1 LYS 27 HZ1 LYS 27 2.529 5.442 8.646 228 HZ2 LYS 27 HZ2 LYS 27 0.871 5.506 8.839 229 HZ3 LYS 27 HZ3 LYS 27 1.547 6.033 7.401 230 H ILE 28 H ILE 28 3.732 6.296 2.503 231 HA ILE 28 HA ILE 28 4.162 3.883 0.906 232 HB ILE 28 HB ILE 28 4.743 6.717 -0.047 233 HG12 ILE 28 HG12 ILE 28 2.738 4.643 -0.877 234 HG13 ILE 28 HG13 ILE 28 2.390 6.187 -0.118 235 HG21 ILE 28 HG21 ILE 28 6.429 5.099 -0.888 236 HG22 ILE 28 HG22 ILE 28 5.316 5.656 -2.165 237 HG23 ILE 28 HG23 ILE 28 5.093 4.071 -1.453 238 HD11 ILE 28 HD11 ILE 28 3.568 5.788 -2.852 239 HD12 ILE 28 HD12 ILE 28 3.186 7.346 -2.109 240 HD13 ILE 28 HD13 ILE 28 1.898 6.177 -2.489 241 H LEU 29 H LEU 29 5.982 2.885 1.102 242 HA LEU 29 HA LEU 29 8.040 4.177 2.720 243 HB2 LEU 29 HB2 LEU 29 6.926 2.307 3.823 244 HB3 LEU 29 HB3 LEU 29 7.310 1.262 2.474 245 HG LEU 29 HG LEU 29 9.686 1.386 3.020 246 HD11 LEU 29 HD11 LEU 29 10.427 2.495 5.086 247 HD12 LEU 29 HD12 LEU 29 8.796 3.113 5.340 248 HD13 LEU 29 HD13 LEU 29 9.736 3.652 3.949 249 HD21 LEU 29 HD21 LEU 29 9.608 0.174 5.135 250 HD22 LEU 29 HD22 LEU 29 8.322 -0.349 4.048 251 HD23 LEU 29 HD23 LEU 29 7.953 0.726 5.395 252 H ASN 30 H ASN 30 9.780 4.654 1.707 253 HA ASN 30 HA ASN 30 10.416 3.588 -0.932 254 HB2 ASN 30 HB2 ASN 30 11.800 5.716 0.742 255 HB3 ASN 30 HB3 ASN 30 12.121 5.360 -0.948 256 HD21 ASN 30 HD21 ASN 30 9.910 6.807 1.334 257 HD22 ASN 30 HD22 ASN 30 8.983 7.683 0.182 258 H THR 31 H THR 31 11.978 1.920 -1.158 259 HA THR 31 HA THR 31 13.524 1.437 1.256 260 HB THR 31 HB THR 31 12.697 -0.559 -0.854 261 HG1 THR 31 HG1 THR 31 11.294 0.669 1.080 262 HG21 THR 31 HG21 THR 31 13.147 -2.171 0.955 263 HG22 THR 31 HG22 THR 31 13.670 -0.844 1.984 264 HG23 THR 31 HG23 THR 31 14.603 -1.240 0.535 265 HA PRO 32 HA PRO 32 17.126 2.244 -1.360 266 HB2 PRO 32 HB2 PRO 32 18.605 0.509 0.499 267 HB3 PRO 32 HB3 PRO 32 18.857 2.209 0.106 268 HG2 PRO 32 HG2 PRO 32 17.848 1.438 2.475 269 HG3 PRO 32 HG3 PRO 32 17.362 2.942 1.676 270 HD2 PRO 32 HD2 PRO 32 15.876 0.358 1.888 271 HD3 PRO 32 HD3 PRO 32 15.298 2.025 1.917 272 H ASN 33 H ASN 33 16.997 -1.074 -0.056 273 HA ASN 33 HA ASN 33 18.339 -2.027 -2.480 274 HB2 ASN 33 HB2 ASN 33 17.745 -3.476 0.101 275 HB3 ASN 33 HB3 ASN 33 18.563 -4.209 -1.273 276 HD21 ASN 33 HD21 ASN 33 18.789 -1.930 1.282 277 HD22 ASN 33 HD22 ASN 33 20.490 -1.655 1.231 278 H CYS 34 H CYS 34 15.224 -1.668 -1.540 279 HA CYS 34 HA CYS 34 14.335 -3.658 -3.446 280 HB2 CYS 34 HB2 CYS 34 12.964 -2.514 -1.025 281 HB3 CYS 34 HB3 CYS 34 12.165 -3.506 -2.221 282 H ALA 35 H ALA 35 12.070 -2.717 -4.297 283 HA ALA 35 HA ALA 35 12.873 -0.268 -5.524 284 HB1 ALA 35 HB1 ALA 35 10.921 -0.478 -6.917 285 HB2 ALA 35 HB2 ALA 35 10.280 -1.729 -5.852 286 HB3 ALA 35 HB3 ALA 35 11.743 -2.041 -6.789 287 H LEU 36 H LEU 36 9.561 -0.759 -4.487 288 HA LEU 36 HA LEU 36 9.640 1.453 -2.664 289 HB2 LEU 36 HB2 LEU 36 9.721 2.512 -4.923 290 HB3 LEU 36 HB3 LEU 36 8.282 1.647 -5.373 291 HG LEU 36 HG LEU 36 7.926 4.062 -4.938 292 HD11 LEU 36 HD11 LEU 36 6.055 2.543 -4.717 293 HD12 LEU 36 HD12 LEU 36 5.946 3.885 -3.573 294 HD13 LEU 36 HD13 LEU 36 6.461 2.290 -3.022 295 HD21 LEU 36 HD21 LEU 36 7.958 4.897 -2.656 296 HD22 LEU 36 HD22 LEU 36 9.558 4.366 -3.175 297 HD23 LEU 36 HD23 LEU 36 8.594 3.351 -2.099 298 H GLN 37 H GLN 37 8.023 1.016 -1.167 299 HA GLN 37 HA GLN 37 5.906 -0.742 -2.140 300 HB2 GLN 37 HB2 GLN 37 7.066 -0.640 0.646 301 HB3 GLN 37 HB3 GLN 37 5.532 -1.400 0.283 302 HG2 GLN 37 HG2 GLN 37 6.932 -3.199 0.305 303 HG3 GLN 37 HG3 GLN 37 6.977 -2.783 -1.411 304 HE21 GLN 37 HE21 GLN 37 8.812 -0.563 -0.887 305 HE22 GLN 37 HE22 GLN 37 10.314 -1.340 -0.483 306 H ILE 38 H ILE 38 3.969 0.014 -2.176 307 HA ILE 38 HA ILE 38 3.333 2.435 -0.657 308 HB ILE 38 HB ILE 38 1.830 0.975 -2.832 309 HG12 ILE 38 HG12 ILE 38 3.353 3.576 -3.004 310 HG13 ILE 38 HG13 ILE 38 3.881 2.033 -3.656 311 HG21 ILE 38 HG21 ILE 38 0.291 2.170 -1.364 312 HG22 ILE 38 HG22 ILE 38 0.366 2.979 -2.925 313 HG23 ILE 38 HG23 ILE 38 1.218 3.652 -1.537 314 HD11 ILE 38 HD11 ILE 38 1.440 3.559 -4.499 315 HD12 ILE 38 HD12 ILE 38 1.987 2.023 -5.184 316 HD13 ILE 38 HD13 ILE 38 2.969 3.488 -5.371 317 H VAL 39 H VAL 39 2.004 2.198 1.104 318 HA VAL 39 HA VAL 39 0.714 -0.402 1.462 319 HB VAL 39 HB VAL 39 1.793 1.427 3.621 320 HG11 VAL 39 HG11 VAL 39 0.732 -1.382 3.779 321 HG12 VAL 39 HG12 VAL 39 -0.064 0.074 4.370 322 HG13 VAL 39 HG13 VAL 39 1.434 -0.475 5.116 323 HG21 VAL 39 HG21 VAL 39 3.665 0.492 2.370 324 HG22 VAL 39 HG22 VAL 39 3.004 -1.130 2.564 325 HG23 VAL 39 HG23 VAL 39 3.575 -0.237 3.973 326 H ALA 40 H ALA 40 -1.404 -0.301 1.831 327 HA ALA 40 HA ALA 40 -2.633 2.266 2.552 328 HB1 ALA 40 HB1 ALA 40 -2.668 2.150 0.120 329 HB2 ALA 40 HB2 ALA 40 -4.295 1.997 0.798 330 HB3 ALA 40 HB3 ALA 40 -3.431 0.563 0.229 331 H ARG 41 H ARG 41 -4.615 2.033 3.532 332 HA ARG 41 HA ARG 41 -5.230 -0.748 4.233 333 HB2 ARG 41 HB2 ARG 41 -4.566 0.990 6.155 334 HB3 ARG 41 HB3 ARG 41 -6.130 1.589 5.860 335 HG2 ARG 41 HG2 ARG 41 -7.253 -0.370 6.509 336 HG3 ARG 41 HG3 ARG 41 -5.771 -1.328 6.466 337 HD2 ARG 41 HD2 ARG 41 -4.884 0.033 8.266 338 HD3 ARG 41 HD3 ARG 41 -6.442 0.891 8.361 339 HE ARG 41 HE ARG 41 -7.021 -1.780 8.657 340 HH11 ARG 41 HH11 ARG 41 -4.948 0.485 10.419 341 HH12 ARG 41 HH12 ARG 41 -5.138 -0.287 11.915 342 HH21 ARG 41 HH21 ARG 41 -7.241 -2.863 10.718 343 HH22 ARG 41 HH22 ARG 41 -6.464 -2.208 12.087 344 H LEU 42 H LEU 42 -7.144 -1.468 3.909 345 HA LEU 42 HA LEU 42 -8.800 0.026 2.074 346 HB2 LEU 42 HB2 LEU 42 -9.185 -2.702 3.289 347 HB3 LEU 42 HB3 LEU 42 -10.049 -2.118 1.921 348 HG LEU 42 HG LEU 42 -7.134 -2.806 2.080 349 HD11 LEU 42 HD11 LEU 42 -7.685 -4.415 0.350 350 HD12 LEU 42 HD12 LEU 42 -9.389 -3.969 0.501 351 HD13 LEU 42 HD13 LEU 42 -8.539 -4.668 1.877 352 HD21 LEU 42 HD21 LEU 42 -6.961 -2.212 -0.293 353 HD22 LEU 42 HD22 LEU 42 -7.316 -0.816 0.727 354 HD23 LEU 42 HD23 LEU 42 -8.603 -1.552 -0.232 355 H LYS 43 H LYS 43 -10.954 0.583 2.389 356 HA LYS 43 HA LYS 43 -11.476 1.540 5.023 357 HB2 LYS 43 HB2 LYS 43 -13.194 1.547 2.571 358 HB3 LYS 43 HB3 LYS 43 -13.659 2.381 4.035 359 HG2 LYS 43 HG2 LYS 43 -11.515 3.711 3.672 360 HG3 LYS 43 HG3 LYS 43 -11.471 2.962 2.077 361 HD2 LYS 43 HD2 LYS 43 -13.605 4.777 3.216 362 HD3 LYS 43 HD3 LYS 43 -12.577 5.035 1.802 363 HE2 LYS 43 HE2 LYS 43 -13.706 3.170 0.654 364 HE3 LYS 43 HE3 LYS 43 -14.740 2.942 2.058 365 HZ1 LYS 43 HZ1 LYS 43 -15.606 5.206 1.694 366 HZ2 LYS 43 HZ2 LYS 43 -15.856 4.201 0.365 367 HZ3 LYS 43 HZ3 LYS 43 -14.621 5.331 0.326 368 H ASN 44 H ASN 44 -13.271 -0.707 2.936 369 HA ASN 44 HA ASN 44 -15.017 -1.378 5.148 370 HB2 ASN 44 HB2 ASN 44 -15.963 -1.260 2.908 371 HB3 ASN 44 HB3 ASN 44 -14.888 -2.536 2.353 372 HD21 ASN 44 HD21 ASN 44 -15.383 -4.683 2.873 373 HD22 ASN 44 HD22 ASN 44 -16.890 -5.133 3.568 374 H ASN 45 H ASN 45 -12.427 -2.958 3.417 375 HA ASN 45 HA ASN 45 -12.734 -5.395 4.898 376 HB2 ASN 45 HB2 ASN 45 -11.855 -5.402 2.576 377 HB3 ASN 45 HB3 ASN 45 -10.447 -4.496 3.107 378 HD21 ASN 45 HD21 ASN 45 -9.077 -6.124 2.362 379 HD22 ASN 45 HD22 ASN 45 -8.869 -7.611 3.165 380 H ASN 46 H ASN 46 -10.866 -2.489 5.098 381 HA ASN 46 HA ASN 46 -9.567 -1.536 6.715 382 HB2 ASN 46 HB2 ASN 46 -11.664 -1.914 8.021 383 HB3 ASN 46 HB3 ASN 46 -11.069 -3.490 8.504 384 HD21 ASN 46 HD21 ASN 46 -9.714 -3.615 10.239 385 HD22 ASN 46 HD22 ASN 46 -9.249 -2.252 11.190 386 H ARG 47 H ARG 47 -8.643 -4.129 5.365 387 HA ARG 47 HA ARG 47 -6.554 -4.728 7.218 388 HB2 ARG 47 HB2 ARG 47 -7.592 -5.838 4.677 389 HB3 ARG 47 HB3 ARG 47 -6.056 -6.378 5.361 390 HG2 ARG 47 HG2 ARG 47 -7.170 -7.136 7.365 391 HG3 ARG 47 HG3 ARG 47 -8.707 -6.476 6.791 392 HD2 ARG 47 HD2 ARG 47 -8.821 -7.968 5.051 393 HD3 ARG 47 HD3 ARG 47 -7.101 -8.335 5.263 394 HE ARG 47 HE ARG 47 -7.781 -9.460 7.380 395 HH11 ARG 47 HH11 ARG 47 -10.340 -9.003 4.949 396 HH12 ARG 47 HH12 ARG 47 -11.191 -10.405 5.364 397 HH21 ARG 47 HH21 ARG 47 -9.000 -11.416 7.972 398 HH22 ARG 47 HH22 ARG 47 -10.423 -11.786 7.099 399 H GLN 48 H GLN 48 -4.417 -4.343 6.643 400 HA GLN 48 HA GLN 48 -4.207 -2.199 4.750 401 HB2 GLN 48 HB2 GLN 48 -3.461 -1.882 7.126 402 HB3 GLN 48 HB3 GLN 48 -2.193 -3.069 6.818 403 HG2 GLN 48 HG2 GLN 48 -1.249 -1.696 5.197 404 HG3 GLN 48 HG3 GLN 48 -2.676 -0.645 5.259 405 HE21 GLN 48 HE21 GLN 48 -1.182 -1.925 8.158 406 HE22 GLN 48 HE22 GLN 48 -0.547 -0.426 8.710 407 H VAL 49 H VAL 49 -3.411 -2.568 2.870 408 HA VAL 49 HA VAL 49 -1.803 -4.978 2.405 409 HB VAL 49 HB VAL 49 -2.795 -5.022 0.125 410 HG11 VAL 49 HG11 VAL 49 -4.995 -5.940 0.797 411 HG12 VAL 49 HG12 VAL 49 -4.801 -5.200 2.385 412 HG13 VAL 49 HG13 VAL 49 -3.707 -6.483 1.867 413 HG21 VAL 49 HG21 VAL 49 -3.480 -2.694 -0.059 414 HG22 VAL 49 HG22 VAL 49 -4.675 -2.925 1.218 415 HG23 VAL 49 HG23 VAL 49 -4.861 -3.757 -0.326 416 H CYS 50 H CYS 50 -0.739 -4.681 0.105 417 HA CYS 50 HA CYS 50 0.462 -2.020 0.128 418 HB2 CYS 50 HB2 CYS 50 1.594 -4.508 -1.165 419 HB3 CYS 50 HB3 CYS 50 2.325 -2.934 -0.965 420 H ILE 51 H ILE 51 0.941 -1.102 -1.884 421 HA ILE 51 HA ILE 51 -0.867 -1.957 -4.017 422 HB ILE 51 HB ILE 51 -0.167 0.881 -3.225 423 HG12 ILE 51 HG12 ILE 51 -2.618 -0.783 -2.915 424 HG13 ILE 51 HG13 ILE 51 -1.655 -0.075 -1.650 425 HG21 ILE 51 HG21 ILE 51 -0.466 0.661 -5.626 426 HG22 ILE 51 HG22 ILE 51 -1.829 1.526 -4.901 427 HG23 ILE 51 HG23 ILE 51 -1.995 -0.173 -5.347 428 HD11 ILE 51 HD11 ILE 51 -2.274 2.184 -2.339 429 HD12 ILE 51 HD12 ILE 51 -3.701 1.224 -1.940 430 HD13 ILE 51 HD13 ILE 51 -3.275 1.516 -3.630 431 H ASP 52 H ASP 52 -0.116 -1.852 -6.042 432 HA ASP 52 HA ASP 52 2.717 -1.884 -6.418 433 HB2 ASP 52 HB2 ASP 52 1.322 -3.439 -7.525 434 HB3 ASP 52 HB3 ASP 52 0.396 -2.171 -8.335 435 HA PRO 53 HA PRO 53 2.975 2.468 -7.254 436 HB2 PRO 53 HB2 PRO 53 5.525 2.541 -8.145 437 HB3 PRO 53 HB3 PRO 53 5.092 2.335 -6.444 438 HG2 PRO 53 HG2 PRO 53 5.850 0.261 -8.463 439 HG3 PRO 53 HG3 PRO 53 6.404 0.431 -6.785 440 HD2 PRO 53 HD2 PRO 53 4.490 -1.322 -7.515 441 HD3 PRO 53 HD3 PRO 53 4.477 -0.509 -5.934 442 H LYS 54 H LYS 54 2.597 0.218 -9.642 443 HA LYS 54 HA LYS 54 3.056 2.198 -11.757 444 HB2 LYS 54 HB2 LYS 54 2.989 -0.807 -11.901 445 HB3 LYS 54 HB3 LYS 54 3.136 0.255 -13.292 446 HG2 LYS 54 HG2 LYS 54 5.240 1.074 -12.594 447 HG3 LYS 54 HG3 LYS 54 5.069 0.342 -11.006 448 HD2 LYS 54 HD2 LYS 54 5.247 -1.255 -13.559 449 HD3 LYS 54 HD3 LYS 54 6.664 -0.790 -12.624 450 HE2 LYS 54 HE2 LYS 54 6.141 -3.024 -11.896 451 HE3 LYS 54 HE3 LYS 54 5.566 -1.895 -10.667 452 HZ1 LYS 54 HZ1 LYS 54 4.051 -3.716 -11.138 453 HZ2 LYS 54 HZ2 LYS 54 3.768 -3.110 -12.689 454 HZ3 LYS 54 HZ3 LYS 54 3.331 -2.245 -11.293 455 H LEU 55 H LEU 55 0.674 1.244 -9.870 456 HA LEU 55 HA LEU 55 -1.427 0.726 -11.656 457 HB2 LEU 55 HB2 LEU 55 -1.269 1.846 -8.932 458 HB3 LEU 55 HB3 LEU 55 -2.801 1.858 -9.737 459 HG LEU 55 HG LEU 55 -1.139 -0.545 -8.924 460 HD11 LEU 55 HD11 LEU 55 -3.866 0.403 -8.085 461 HD12 LEU 55 HD12 LEU 55 -2.390 0.606 -7.149 462 HD13 LEU 55 HD13 LEU 55 -3.020 -1.015 -7.464 463 HD21 LEU 55 HD21 LEU 55 -3.042 -1.889 -9.710 464 HD22 LEU 55 HD22 LEU 55 -2.261 -1.043 -11.060 465 HD23 LEU 55 HD23 LEU 55 -3.766 -0.437 -10.355 466 H LYS 56 H LYS 56 -3.001 2.035 -12.472 467 HA LYS 56 HA LYS 56 -1.959 4.293 -13.783 468 HB2 LYS 56 HB2 LYS 56 -4.830 3.390 -13.612 469 HB3 LYS 56 HB3 LYS 56 -4.146 4.476 -14.814 470 HG2 LYS 56 HG2 LYS 56 -2.694 2.694 -15.623 471 HG3 LYS 56 HG3 LYS 56 -3.361 1.602 -14.413 472 HD2 LYS 56 HD2 LYS 56 -5.582 1.877 -15.433 473 HD3 LYS 56 HD3 LYS 56 -4.863 2.914 -16.666 474 HE2 LYS 56 HE2 LYS 56 -4.189 0.012 -16.154 475 HE3 LYS 56 HE3 LYS 56 -5.131 0.645 -17.500 476 HZ1 LYS 56 HZ1 LYS 56 -3.150 1.847 -18.245 477 HZ2 LYS 56 HZ2 LYS 56 -2.891 0.201 -18.183 478 HZ3 LYS 56 HZ3 LYS 56 -2.245 1.185 -16.983 479 H TRP 57 H TRP 57 -4.302 3.989 -11.136 480 HA TRP 57 HA TRP 57 -4.607 6.842 -11.049 481 HB2 TRP 57 HB2 TRP 57 -6.037 6.541 -9.105 482 HB3 TRP 57 HB3 TRP 57 -6.481 5.390 -10.349 483 HD1 TRP 57 HD1 TRP 57 -6.220 2.768 -9.720 484 HE1 TRP 57 HE1 TRP 57 -5.875 1.581 -7.522 485 HE3 TRP 57 HE3 TRP 57 -4.763 6.755 -6.874 486 HZ2 TRP 57 HZ2 TRP 57 -5.089 2.200 -4.898 487 HZ3 TRP 57 HZ3 TRP 57 -4.242 6.368 -4.503 488 HH2 TRP 57 HH2 TRP 57 -4.400 4.164 -3.530 489 H ILE 58 H ILE 58 -2.452 4.592 -9.769 490 HA ILE 58 HA ILE 58 -1.552 6.104 -7.570 491 HB ILE 58 HB ILE 58 -0.428 3.752 -9.063 492 HG12 ILE 58 HG12 ILE 58 -2.228 3.373 -7.452 493 HG13 ILE 58 HG13 ILE 58 -0.755 2.580 -6.919 494 HG21 ILE 58 HG21 ILE 58 1.396 3.581 -7.500 495 HG22 ILE 58 HG22 ILE 58 1.032 5.186 -6.861 496 HG23 ILE 58 HG23 ILE 58 1.539 4.995 -8.551 497 HD11 ILE 58 HD11 ILE 58 -0.345 4.455 -5.369 498 HD12 ILE 58 HD12 ILE 58 -1.863 3.621 -5.052 499 HD13 ILE 58 HD13 ILE 58 -1.876 5.173 -5.865 500 H GLN 59 H GLN 59 -0.536 5.925 -10.931 501 HA GLN 59 HA GLN 59 1.544 7.790 -10.617 502 HB2 GLN 59 HB2 GLN 59 0.027 6.813 -12.976 503 HB3 GLN 59 HB3 GLN 59 0.914 8.316 -13.165 504 HG2 GLN 59 HG2 GLN 59 2.180 6.308 -13.891 505 HG3 GLN 59 HG3 GLN 59 2.986 7.242 -12.640 506 HE21 GLN 59 HE21 GLN 59 3.213 6.373 -10.612 507 HE22 GLN 59 HE22 GLN 59 2.991 4.705 -10.266 508 H GLU 60 H GLU 60 -1.875 8.255 -11.204 509 HA GLU 60 HA GLU 60 -1.813 11.049 -11.490 510 HB2 GLU 60 HB2 GLU 60 -3.968 9.344 -10.210 511 HB3 GLU 60 HB3 GLU 60 -4.167 11.000 -10.759 512 HG2 GLU 60 HG2 GLU 60 -3.560 8.616 -12.496 513 HG3 GLU 60 HG3 GLU 60 -5.116 9.427 -12.344 514 H TYR 61 H TYR 61 -2.246 9.001 -8.665 515 HA TYR 61 HA TYR 61 -2.344 10.908 -6.664 516 HB2 TYR 61 HB2 TYR 61 -2.949 8.730 -6.044 517 HB3 TYR 61 HB3 TYR 61 -1.500 8.030 -6.752 518 HD1 TYR 61 HD1 TYR 61 -2.783 9.945 -3.837 519 HD2 TYR 61 HD2 TYR 61 0.508 7.782 -5.500 520 HE1 TYR 61 HE1 TYR 61 -1.630 9.957 -1.665 521 HE2 TYR 61 HE2 TYR 61 1.618 7.784 -3.509 522 HH TYR 61 HH TYR 61 1.652 9.124 -1.371 523 H LEU 62 H LEU 62 0.533 9.246 -7.939 524 HA LEU 62 HA LEU 62 2.322 10.508 -6.131 525 HB2 LEU 62 HB2 LEU 62 2.822 9.078 -8.715 526 HB3 LEU 62 HB3 LEU 62 4.086 9.624 -7.628 527 HG LEU 62 HG LEU 62 1.934 7.676 -6.825 528 HD11 LEU 62 HD11 LEU 62 3.292 6.799 -8.563 529 HD12 LEU 62 HD12 LEU 62 3.557 6.049 -6.948 530 HD13 LEU 62 HD13 LEU 62 4.761 7.191 -7.615 531 HD21 LEU 62 HD21 LEU 62 4.545 8.420 -5.561 532 HD22 LEU 62 HD22 LEU 62 3.408 7.195 -5.008 533 HD23 LEU 62 HD23 LEU 62 2.939 8.900 -4.974 534 H GLU 63 H GLU 63 1.499 11.120 -9.445 535 HA GLU 63 HA GLU 63 3.343 13.264 -9.701 536 HB2 GLU 63 HB2 GLU 63 0.882 12.668 -11.329 537 HB3 GLU 63 HB3 GLU 63 2.035 13.937 -11.731 538 HG2 GLU 63 HG2 GLU 63 3.814 12.229 -11.848 539 HG3 GLU 63 HG3 GLU 63 2.602 10.992 -11.550 540 H LYS 64 H LYS 64 0.065 13.096 -8.653 541 HA LYS 64 HA LYS 64 -0.570 15.779 -8.178 542 HB2 LYS 64 HB2 LYS 64 -2.203 14.129 -7.811 543 HB3 LYS 64 HB3 LYS 64 -1.146 13.199 -6.768 544 HG2 LYS 64 HG2 LYS 64 -2.576 14.083 -5.304 545 HG3 LYS 64 HG3 LYS 64 -1.236 15.148 -5.220 546 HD2 LYS 64 HD2 LYS 64 -2.262 16.808 -6.685 547 HD3 LYS 64 HD3 LYS 64 -3.693 15.777 -6.845 548 HE2 LYS 64 HE2 LYS 64 -4.094 15.948 -4.441 549 HE3 LYS 64 HE3 LYS 64 -2.671 16.972 -4.273 550 HZ1 LYS 64 HZ1 LYS 64 -5.094 17.649 -5.849 551 HZ2 LYS 64 HZ2 LYS 64 -3.744 18.630 -5.658 552 HZ3 LYS 64 HZ3 LYS 64 -4.714 18.265 -4.329 553 H ALA 65 H ALA 65 0.674 13.420 -5.943 554 HA ALA 65 HA ALA 65 1.446 15.069 -3.833 555 HB1 ALA 65 HB1 ALA 65 2.839 13.240 -3.037 556 HB2 ALA 65 HB2 ALA 65 2.774 12.483 -4.627 557 HB3 ALA 65 HB3 ALA 65 1.305 12.632 -3.658 558 H LEU 66 H LEU 66 3.442 14.079 -6.593 559 HA LEU 66 HA LEU 66 5.790 15.402 -5.713 560 HB2 LEU 66 HB2 LEU 66 4.959 14.642 -8.516 561 HB3 LEU 66 HB3 LEU 66 6.558 15.188 -8.070 562 HG LEU 66 HG LEU 66 5.242 12.635 -7.137 563 HD11 LEU 66 HD11 LEU 66 5.864 12.548 -9.474 564 HD12 LEU 66 HD12 LEU 66 6.932 11.529 -8.513 565 HD13 LEU 66 HD13 LEU 66 7.493 13.100 -9.085 566 HD21 LEU 66 HD21 LEU 66 6.743 13.516 -5.428 567 HD22 LEU 66 HD22 LEU 66 8.026 13.703 -6.627 568 HD23 LEU 66 HD23 LEU 66 7.446 12.095 -6.191 569 H ASN 67 H ASN 67 3.062 16.405 -7.668 570 HA ASN 67 HA ASN 67 4.116 18.924 -8.459 571 HB2 ASN 67 HB2 ASN 67 2.212 17.877 -9.619 572 HB3 ASN 67 HB3 ASN 67 1.241 18.019 -8.160 573 HD21 ASN 67 HD21 ASN 67 0.405 20.037 -7.583 574 HD22 ASN 67 HD22 ASN 67 0.407 21.355 -8.683 575 H LYS 68 H LYS 68 1.910 17.890 -5.926 576 HA LYS 68 HA LYS 68 1.311 18.637 -3.950 577 HB2 LYS 68 HB2 LYS 68 3.724 18.625 -3.518 578 HB3 LYS 68 HB3 LYS 68 3.841 20.275 -4.096 579 HG2 LYS 68 HG2 LYS 68 2.508 21.050 -2.236 580 HG3 LYS 68 HG3 LYS 68 2.277 19.386 -1.681 581 HD2 LYS 68 HD2 LYS 68 4.705 19.159 -1.430 582 HD3 LYS 68 HD3 LYS 68 4.900 20.832 -1.933 583 HE2 LYS 68 HE2 LYS 68 3.642 21.589 -0.010 584 HE3 LYS 68 HE3 LYS 68 3.357 19.919 0.483 585 HZ1 LYS 68 HZ1 LYS 68 5.211 20.949 1.696 586 HZ2 LYS 68 HZ2 LYS 68 6.028 21.169 0.231 587 HZ3 LYS 68 HZ3 LYS 68 5.696 19.617 0.782 Start of MODEL 13 1 H LYS 1 H LYS 1 7.408 -26.466 4.017 2 HA LYS 1 HA LYS 1 8.913 -26.989 2.305 3 HB2 LYS 1 HB2 LYS 1 8.514 -24.091 1.472 4 HB3 LYS 1 HB3 LYS 1 9.792 -25.129 0.861 5 HG2 LYS 1 HG2 LYS 1 8.144 -26.584 -0.097 6 HG3 LYS 1 HG3 LYS 1 6.864 -25.554 0.558 7 HD2 LYS 1 HD2 LYS 1 7.642 -23.687 -0.758 8 HD3 LYS 1 HD3 LYS 1 9.004 -24.645 -1.345 9 HE2 LYS 1 HE2 LYS 1 7.529 -26.187 -2.364 10 HE3 LYS 1 HE3 LYS 1 6.130 -25.305 -1.731 11 HZ1 LYS 1 HZ1 LYS 1 6.567 -24.751 -4.066 12 HZ2 LYS 1 HZ2 LYS 1 8.111 -24.197 -3.672 13 HZ3 LYS 1 HZ3 LYS 1 6.742 -23.409 -3.075 14 HA PRO 2 HA PRO 2 11.477 -25.424 5.587 15 HB2 PRO 2 HB2 PRO 2 13.665 -27.054 4.631 16 HB3 PRO 2 HB3 PRO 2 12.691 -27.271 6.087 17 HG2 PRO 2 HG2 PRO 2 12.597 -28.932 3.910 18 HG3 PRO 2 HG3 PRO 2 11.260 -28.729 5.056 19 HD2 PRO 2 HD2 PRO 2 11.641 -27.554 2.336 20 HD3 PRO 2 HD3 PRO 2 10.164 -28.145 3.143 21 H VAL 3 H VAL 3 11.732 -23.384 4.805 22 HA VAL 3 HA VAL 3 14.256 -22.818 3.462 23 HB VAL 3 HB VAL 3 13.189 -21.000 2.140 24 HG11 VAL 3 HG11 VAL 3 13.540 -23.118 1.028 25 HG12 VAL 3 HG12 VAL 3 12.064 -22.351 0.442 26 HG13 VAL 3 HG13 VAL 3 11.966 -23.694 1.583 27 HG21 VAL 3 HG21 VAL 3 10.570 -22.151 3.110 28 HG22 VAL 3 HG22 VAL 3 10.742 -20.900 1.881 29 HG23 VAL 3 HG23 VAL 3 11.239 -20.578 3.545 30 H SER 4 H SER 4 14.540 -20.312 3.675 31 HA SER 4 HA SER 4 13.858 -19.649 6.420 32 HB2 SER 4 HB2 SER 4 15.527 -17.795 6.130 33 HB3 SER 4 HB3 SER 4 16.222 -19.386 5.849 34 HG SER 4 HG SER 4 15.378 -18.592 3.502 35 H LEU 5 H LEU 5 12.597 -17.836 6.926 36 HA LEU 5 HA LEU 5 10.963 -16.902 4.754 37 HB2 LEU 5 HB2 LEU 5 10.910 -16.232 7.711 38 HB3 LEU 5 HB3 LEU 5 9.828 -15.504 6.550 39 HG LEU 5 HG LEU 5 8.880 -17.785 6.102 40 HD11 LEU 5 HD11 LEU 5 10.755 -19.158 6.816 41 HD12 LEU 5 HD12 LEU 5 9.286 -19.584 7.694 42 HD13 LEU 5 HD13 LEU 5 10.532 -18.614 8.480 43 HD21 LEU 5 HD21 LEU 5 8.746 -16.807 8.946 44 HD22 LEU 5 HD22 LEU 5 7.591 -17.893 8.176 45 HD23 LEU 5 HD23 LEU 5 7.768 -16.239 7.594 46 H SER 6 H SER 6 12.168 -15.699 3.449 47 HA SER 6 HA SER 6 13.870 -13.728 4.668 48 HB2 SER 6 HB2 SER 6 14.909 -13.555 2.391 49 HB3 SER 6 HB3 SER 6 15.034 -15.148 3.135 50 HG SER 6 HG SER 6 13.683 -15.959 1.667 51 H TYR 7 H TYR 7 12.536 -12.131 5.212 52 HA TYR 7 HA TYR 7 11.305 -10.707 2.984 53 HB2 TYR 7 HB2 TYR 7 10.572 -10.613 5.923 54 HB3 TYR 7 HB3 TYR 7 9.902 -9.570 4.684 55 HD1 TYR 7 HD1 TYR 7 8.324 -10.437 3.047 56 HD2 TYR 7 HD2 TYR 7 9.864 -12.918 6.143 57 HE1 TYR 7 HE1 TYR 7 6.518 -12.055 2.647 58 HE2 TYR 7 HE2 TYR 7 8.062 -14.539 5.738 59 HH TYR 7 HH TYR 7 5.839 -14.513 4.826 60 H ARG 8 H ARG 8 13.008 -9.517 2.398 61 HA ARG 8 HA ARG 8 14.363 -7.939 4.447 62 HB2 ARG 8 HB2 ARG 8 16.001 -7.392 2.772 63 HB3 ARG 8 HB3 ARG 8 15.713 -9.120 2.667 64 HG2 ARG 8 HG2 ARG 8 14.275 -8.790 0.742 65 HG3 ARG 8 HG3 ARG 8 14.494 -7.044 0.862 66 HD2 ARG 8 HD2 ARG 8 16.946 -7.431 0.536 67 HD3 ARG 8 HD3 ARG 8 16.549 -9.128 0.237 68 HE ARG 8 HE ARG 8 15.036 -7.335 -1.353 69 HH11 ARG 8 HH11 ARG 8 18.103 -9.111 -1.188 70 HH12 ARG 8 HH12 ARG 8 18.440 -8.979 -2.847 71 HH21 ARG 8 HH21 ARG 8 15.509 -7.166 -3.682 72 HH22 ARG 8 HH22 ARG 8 16.915 -7.876 -4.290 73 H CYS 9 H CYS 9 11.887 -7.869 2.321 74 HA CYS 9 HA CYS 9 11.803 -4.937 2.245 75 HB2 CYS 9 HB2 CYS 9 10.291 -6.819 0.388 76 HB3 CYS 9 HB3 CYS 9 10.457 -5.092 0.265 77 HA PRO 10 HA PRO 10 8.304 -5.116 5.072 78 HB2 PRO 10 HB2 PRO 10 7.341 -2.825 3.394 79 HB3 PRO 10 HB3 PRO 10 7.509 -2.948 5.153 80 HG2 PRO 10 HG2 PRO 10 9.284 -1.586 3.772 81 HG3 PRO 10 HG3 PRO 10 9.818 -2.674 5.069 82 HD2 PRO 10 HD2 PRO 10 9.868 -3.083 2.107 83 HD3 PRO 10 HD3 PRO 10 11.101 -3.455 3.338 84 H CYS 11 H CYS 11 7.772 -5.021 1.597 85 HA CYS 11 HA CYS 11 5.222 -6.419 2.038 86 HB2 CYS 11 HB2 CYS 11 5.986 -4.596 -0.240 87 HB3 CYS 11 HB3 CYS 11 4.515 -5.549 -0.195 88 H ARG 12 H ARG 12 4.753 -8.183 0.769 89 HA ARG 12 HA ARG 12 7.081 -9.321 -0.591 90 HB2 ARG 12 HB2 ARG 12 5.967 -10.593 1.290 91 HB3 ARG 12 HB3 ARG 12 4.547 -10.733 0.274 92 HG2 ARG 12 HG2 ARG 12 5.862 -12.779 0.189 93 HG3 ARG 12 HG3 ARG 12 5.868 -11.980 -1.389 94 HD2 ARG 12 HD2 ARG 12 8.044 -11.049 -0.961 95 HD3 ARG 12 HD3 ARG 12 8.048 -11.701 0.677 96 HE ARG 12 HE ARG 12 7.719 -13.803 -1.085 97 HH11 ARG 12 HH11 ARG 12 10.165 -11.349 -0.353 98 HH12 ARG 12 HH12 ARG 12 11.497 -12.331 -0.778 99 HH21 ARG 12 HH21 ARG 12 9.596 -15.163 -1.694 100 HH22 ARG 12 HH22 ARG 12 11.160 -14.515 -1.566 101 H PHE 13 H PHE 13 3.719 -8.449 -0.913 102 HA PHE 13 HA PHE 13 3.930 -8.652 -3.818 103 HB2 PHE 13 HB2 PHE 13 1.508 -9.456 -2.176 104 HB3 PHE 13 HB3 PHE 13 1.619 -9.461 -3.927 105 HD1 PHE 13 HD1 PHE 13 3.283 -11.077 -5.003 106 HD2 PHE 13 HD2 PHE 13 2.105 -11.313 -0.919 107 HE1 PHE 13 HE1 PHE 13 4.031 -13.416 -4.917 108 HE2 PHE 13 HE2 PHE 13 2.855 -13.648 -0.827 109 HZ PHE 13 HZ PHE 13 3.822 -14.702 -2.831 110 H PHE 14 H PHE 14 2.184 -7.299 -4.817 111 HA PHE 14 HA PHE 14 1.145 -5.072 -3.153 112 HB2 PHE 14 HB2 PHE 14 2.323 -4.904 -5.906 113 HB3 PHE 14 HB3 PHE 14 1.627 -3.565 -5.014 114 HD1 PHE 14 HD1 PHE 14 2.887 -3.064 -2.757 115 HD2 PHE 14 HD2 PHE 14 4.556 -5.153 -6.039 116 HE1 PHE 14 HE1 PHE 14 5.116 -2.491 -1.965 117 HE2 PHE 14 HE2 PHE 14 6.799 -4.593 -5.281 118 HZ PHE 14 HZ PHE 14 7.109 -3.251 -3.223 119 H GLU 15 H GLU 15 -0.842 -4.376 -3.873 120 HA GLU 15 HA GLU 15 -2.045 -6.210 -5.763 121 HB2 GLU 15 HB2 GLU 15 -3.345 -4.322 -3.829 122 HB3 GLU 15 HB3 GLU 15 -4.245 -5.183 -5.067 123 HG2 GLU 15 HG2 GLU 15 -3.366 -7.258 -4.130 124 HG3 GLU 15 HG3 GLU 15 -2.715 -6.337 -2.761 125 H SER 16 H SER 16 -2.965 -5.710 -7.582 126 HA SER 16 HA SER 16 -2.731 -2.949 -8.518 127 HB2 SER 16 HB2 SER 16 -2.671 -5.545 -10.081 128 HB3 SER 16 HB3 SER 16 -2.594 -3.931 -10.792 129 HG SER 16 HG SER 16 -0.668 -3.598 -9.924 130 H HIS 17 H HIS 17 -4.815 -4.741 -7.128 131 HA HIS 17 HA HIS 17 -7.157 -4.236 -8.890 132 HB2 HIS 17 HB2 HIS 17 -6.696 -6.596 -8.164 133 HB3 HIS 17 HB3 HIS 17 -6.842 -6.077 -6.495 134 HD1 HIS 17 HD1 HIS 17 -9.120 -6.028 -5.541 135 HD2 HIS 17 HD2 HIS 17 -9.155 -6.481 -9.652 136 HE1 HIS 17 HE1 HIS 17 -11.512 -6.434 -6.151 137 HE2 HIS 17 HE2 HIS 17 -11.429 -7.024 -8.586 138 H VAL 18 H VAL 18 -5.520 -2.525 -6.911 139 HA VAL 18 HA VAL 18 -7.342 -2.063 -4.750 140 HB VAL 18 HB VAL 18 -4.970 -0.371 -5.493 141 HG11 VAL 18 HG11 VAL 18 -6.354 -0.853 -2.850 142 HG12 VAL 18 HG12 VAL 18 -6.473 0.606 -3.826 143 HG13 VAL 18 HG13 VAL 18 -4.933 0.165 -3.083 144 HG21 VAL 18 HG21 VAL 18 -3.646 -1.763 -3.942 145 HG22 VAL 18 HG22 VAL 18 -4.233 -2.688 -5.313 146 HG23 VAL 18 HG23 VAL 18 -5.018 -2.848 -3.760 147 H ALA 19 H ALA 19 -8.603 -0.218 -4.389 148 HA ALA 19 HA ALA 19 -9.175 1.454 -6.724 149 HB1 ALA 19 HB1 ALA 19 -10.833 0.489 -4.401 150 HB2 ALA 19 HB2 ALA 19 -10.998 -0.032 -6.075 151 HB3 ALA 19 HB3 ALA 19 -11.419 1.632 -5.616 152 H ARG 20 H ARG 20 -9.011 3.647 -6.379 153 HA ARG 20 HA ARG 20 -7.713 4.864 -4.229 154 HB2 ARG 20 HB2 ARG 20 -8.030 5.992 -6.393 155 HB3 ARG 20 HB3 ARG 20 -9.760 6.055 -6.134 156 HG2 ARG 20 HG2 ARG 20 -8.891 8.236 -5.720 157 HG3 ARG 20 HG3 ARG 20 -9.331 7.543 -4.161 158 HD2 ARG 20 HD2 ARG 20 -6.946 6.910 -3.847 159 HD3 ARG 20 HD3 ARG 20 -6.574 7.747 -5.349 160 HE ARG 20 HE ARG 20 -7.673 9.060 -2.959 161 HH11 ARG 20 HH11 ARG 20 -5.678 9.291 -5.914 162 HH12 ARG 20 HH12 ARG 20 -4.892 10.715 -5.396 163 HH21 ARG 20 HH21 ARG 20 -6.559 11.023 -2.313 164 HH22 ARG 20 HH22 ARG 20 -5.394 11.707 -3.354 165 H ALA 21 H ALA 21 -11.116 4.306 -4.793 166 HA ALA 21 HA ALA 21 -11.987 5.761 -2.487 167 HB1 ALA 21 HB1 ALA 21 -13.570 3.944 -4.291 168 HB2 ALA 21 HB2 ALA 21 -13.322 5.670 -4.544 169 HB3 ALA 21 HB3 ALA 21 -14.220 5.109 -3.135 170 H ASN 22 H ASN 22 -10.652 2.674 -2.784 171 HA ASN 22 HA ASN 22 -12.284 1.775 -0.504 172 HB2 ASN 22 HB2 ASN 22 -12.154 -0.423 -1.199 173 HB3 ASN 22 HB3 ASN 22 -11.981 0.341 -2.761 174 HD21 ASN 22 HD21 ASN 22 -10.639 -1.451 -0.392 175 HD22 ASN 22 HD22 ASN 22 -9.141 -1.960 -1.092 176 H VAL 23 H VAL 23 -9.586 3.352 -1.042 177 HA VAL 23 HA VAL 23 -8.012 2.091 1.102 178 HB VAL 23 HB VAL 23 -7.290 4.317 -0.819 179 HG11 VAL 23 HG11 VAL 23 -4.995 3.942 -0.014 180 HG12 VAL 23 HG12 VAL 23 -5.635 2.854 1.219 181 HG13 VAL 23 HG13 VAL 23 -6.080 4.564 1.228 182 HG21 VAL 23 HG21 VAL 23 -5.802 2.666 -1.847 183 HG22 VAL 23 HG22 VAL 23 -7.497 2.219 -1.995 184 HG23 VAL 23 HG23 VAL 23 -6.472 1.416 -0.800 185 H LYS 24 H LYS 24 -7.837 3.066 3.050 186 HA LYS 24 HA LYS 24 -9.173 5.641 3.327 187 HB2 LYS 24 HB2 LYS 24 -9.209 5.262 5.722 188 HB3 LYS 24 HB3 LYS 24 -10.033 3.977 4.860 189 HG2 LYS 24 HG2 LYS 24 -7.985 2.604 5.186 190 HG3 LYS 24 HG3 LYS 24 -7.359 3.905 6.203 191 HD2 LYS 24 HD2 LYS 24 -9.887 2.308 6.648 192 HD3 LYS 24 HD3 LYS 24 -8.413 2.239 7.612 193 HE2 LYS 24 HE2 LYS 24 -8.763 4.632 8.219 194 HE3 LYS 24 HE3 LYS 24 -10.247 4.609 7.304 195 HZ1 LYS 24 HZ1 LYS 24 -10.656 4.272 9.674 196 HZ2 LYS 24 HZ2 LYS 24 -9.757 2.853 9.640 197 HZ3 LYS 24 HZ3 LYS 24 -11.175 2.960 8.728 198 H HIS 25 H HIS 25 -6.008 4.167 3.850 199 HA HIS 25 HA HIS 25 -5.028 6.882 3.863 200 HB2 HIS 25 HB2 HIS 25 -3.507 6.698 5.744 201 HB3 HIS 25 HB3 HIS 25 -5.122 6.322 6.345 202 HD1 HIS 25 HD1 HIS 25 -2.961 5.752 8.150 203 HD2 HIS 25 HD2 HIS 25 -3.799 3.068 5.118 204 HE1 HIS 25 HE1 HIS 25 -1.921 3.582 8.867 205 HE2 HIS 25 HE2 HIS 25 -2.359 1.993 7.017 206 H LEU 26 H LEU 26 -3.212 7.245 2.827 207 HA LEU 26 HA LEU 26 -1.882 4.942 1.625 208 HB2 LEU 26 HB2 LEU 26 -1.964 7.854 0.808 209 HB3 LEU 26 HB3 LEU 26 -0.884 6.690 0.088 210 HG LEU 26 HG LEU 26 -2.673 7.083 -1.403 211 HD11 LEU 26 HD11 LEU 26 -3.646 4.859 -1.684 212 HD12 LEU 26 HD12 LEU 26 -2.997 4.412 -0.105 213 HD13 LEU 26 HD13 LEU 26 -1.902 4.856 -1.408 214 HD21 LEU 26 HD21 LEU 26 -4.365 7.968 0.099 215 HD22 LEU 26 HD22 LEU 26 -4.579 6.377 0.829 216 HD23 LEU 26 HD23 LEU 26 -5.043 6.645 -0.852 217 H LYS 27 H LYS 27 0.144 4.516 2.129 218 HA LYS 27 HA LYS 27 1.816 6.593 3.289 219 HB2 LYS 27 HB2 LYS 27 0.879 5.320 5.168 220 HB3 LYS 27 HB3 LYS 27 1.310 3.821 4.394 221 HG2 LYS 27 HG2 LYS 27 3.659 4.310 4.675 222 HG3 LYS 27 HG3 LYS 27 3.264 5.884 5.362 223 HD2 LYS 27 HD2 LYS 27 3.792 4.218 7.102 224 HD3 LYS 27 HD3 LYS 27 2.141 4.835 7.222 225 HE2 LYS 27 HE2 LYS 27 1.256 2.828 6.244 226 HE3 LYS 27 HE3 LYS 27 2.875 2.220 5.890 227 HZ1 LYS 27 HZ1 LYS 27 3.293 2.106 8.262 228 HZ2 LYS 27 HZ2 LYS 27 1.943 1.192 7.891 229 HZ3 LYS 27 HZ3 LYS 27 1.766 2.699 8.619 230 H ILE 28 H ILE 28 3.707 6.557 2.123 231 HA ILE 28 HA ILE 28 4.203 4.083 0.677 232 HB ILE 28 HB ILE 28 4.921 6.897 -0.249 233 HG12 ILE 28 HG12 ILE 28 2.868 4.897 -1.216 234 HG13 ILE 28 HG13 ILE 28 2.525 6.423 -0.414 235 HG21 ILE 28 HG21 ILE 28 6.572 5.174 -0.960 236 HG22 ILE 28 HG22 ILE 28 5.633 5.807 -2.316 237 HG23 ILE 28 HG23 ILE 28 5.232 4.231 -1.633 238 HD11 ILE 28 HD11 ILE 28 3.764 6.072 -3.141 239 HD12 ILE 28 HD12 ILE 28 3.425 7.624 -2.368 240 HD13 ILE 28 HD13 ILE 28 2.104 6.534 -2.811 241 H LEU 29 H LEU 29 6.047 3.097 0.869 242 HA LEU 29 HA LEU 29 8.005 4.292 2.675 243 HB2 LEU 29 HB2 LEU 29 6.724 2.456 3.677 244 HB3 LEU 29 HB3 LEU 29 7.191 1.429 2.337 245 HG LEU 29 HG LEU 29 9.463 1.346 3.071 246 HD11 LEU 29 HD11 LEU 29 10.206 2.524 5.103 247 HD12 LEU 29 HD12 LEU 29 8.621 3.297 5.235 248 HD13 LEU 29 HD13 LEU 29 9.673 3.662 3.870 249 HD21 LEU 29 HD21 LEU 29 9.174 0.281 5.233 250 HD22 LEU 29 HD22 LEU 29 7.856 -0.153 4.131 251 HD23 LEU 29 HD23 LEU 29 7.593 1.036 5.401 252 H ASN 30 H ASN 30 9.874 4.650 1.794 253 HA ASN 30 HA ASN 30 10.588 3.427 -0.748 254 HB2 ASN 30 HB2 ASN 30 12.080 5.531 0.867 255 HB3 ASN 30 HB3 ASN 30 12.369 5.076 -0.806 256 HD21 ASN 30 HD21 ASN 30 10.348 6.858 1.363 257 HD22 ASN 30 HD22 ASN 30 9.470 7.731 0.170 258 H THR 31 H THR 31 11.931 1.599 -0.722 259 HA THR 31 HA THR 31 13.478 1.292 1.718 260 HB THR 31 HB THR 31 11.990 -0.844 0.151 261 HG1 THR 31 HG1 THR 31 10.988 0.794 1.704 262 HG21 THR 31 HG21 THR 31 12.617 -2.330 1.953 263 HG22 THR 31 HG22 THR 31 13.552 -1.039 2.732 264 HG23 THR 31 HG23 THR 31 14.059 -1.684 1.163 265 HA PRO 32 HA PRO 32 16.730 1.901 -1.136 266 HB2 PRO 32 HB2 PRO 32 18.763 0.639 0.285 267 HB3 PRO 32 HB3 PRO 32 18.248 2.317 0.466 268 HG2 PRO 32 HG2 PRO 32 17.556 -0.068 2.105 269 HG3 PRO 32 HG3 PRO 32 17.797 1.606 2.604 270 HD2 PRO 32 HD2 PRO 32 15.343 0.532 2.409 271 HD3 PRO 32 HD3 PRO 32 15.663 2.236 2.027 272 H ASN 33 H ASN 33 16.712 -1.422 0.100 273 HA ASN 33 HA ASN 33 18.035 -2.255 -2.403 274 HB2 ASN 33 HB2 ASN 33 17.612 -3.820 0.157 275 HB3 ASN 33 HB3 ASN 33 18.516 -4.383 -1.242 276 HD21 ASN 33 HD21 ASN 33 18.482 -2.242 1.465 277 HD22 ASN 33 HD22 ASN 33 20.141 -1.797 1.405 278 H CYS 34 H CYS 34 15.093 -1.697 -1.599 279 HA CYS 34 HA CYS 34 13.966 -3.994 -2.904 280 HB2 CYS 34 HB2 CYS 34 12.944 -2.366 -0.613 281 HB3 CYS 34 HB3 CYS 34 11.982 -3.542 -1.498 282 H ALA 35 H ALA 35 11.654 -3.195 -3.574 283 HA ALA 35 HA ALA 35 12.127 -0.950 -5.315 284 HB1 ALA 35 HB1 ALA 35 10.001 -1.609 -6.310 285 HB2 ALA 35 HB2 ALA 35 9.718 -2.750 -4.996 286 HB3 ALA 35 HB3 ALA 35 11.043 -3.014 -6.129 287 H LEU 36 H LEU 36 9.491 -0.004 -5.464 288 HA LEU 36 HA LEU 36 9.542 1.681 -3.108 289 HB2 LEU 36 HB2 LEU 36 9.574 2.644 -5.413 290 HB3 LEU 36 HB3 LEU 36 8.045 1.880 -5.738 291 HG LEU 36 HG LEU 36 7.941 4.343 -5.371 292 HD11 LEU 36 HD11 LEU 36 5.952 3.006 -5.067 293 HD12 LEU 36 HD12 LEU 36 6.000 4.345 -3.921 294 HD13 LEU 36 HD13 LEU 36 6.394 2.713 -3.383 295 HD21 LEU 36 HD21 LEU 36 8.116 5.212 -3.100 296 HD22 LEU 36 HD22 LEU 36 9.647 4.535 -3.657 297 HD23 LEU 36 HD23 LEU 36 8.636 3.628 -2.531 298 H GLN 37 H GLN 37 8.294 1.009 -1.387 299 HA GLN 37 HA GLN 37 6.009 -0.691 -1.997 300 HB2 GLN 37 HB2 GLN 37 7.426 -0.139 0.607 301 HB3 GLN 37 HB3 GLN 37 5.793 -0.754 0.613 302 HG2 GLN 37 HG2 GLN 37 7.133 -2.636 0.948 303 HG3 GLN 37 HG3 GLN 37 6.705 -2.715 -0.742 304 HE21 GLN 37 HE21 GLN 37 8.699 -0.739 -1.445 305 HE22 GLN 37 HE22 GLN 37 10.222 -1.540 -1.326 306 H ILE 38 H ILE 38 4.050 0.036 -2.075 307 HA ILE 38 HA ILE 38 3.425 2.549 -0.706 308 HB ILE 38 HB ILE 38 1.955 1.062 -2.875 309 HG12 ILE 38 HG12 ILE 38 3.480 3.658 -3.043 310 HG13 ILE 38 HG13 ILE 38 4.003 2.110 -3.687 311 HG21 ILE 38 HG21 ILE 38 0.388 2.266 -1.439 312 HG22 ILE 38 HG22 ILE 38 0.482 3.075 -3.003 313 HG23 ILE 38 HG23 ILE 38 1.319 3.753 -1.610 314 HD11 ILE 38 HD11 ILE 38 1.604 3.682 -4.567 315 HD12 ILE 38 HD12 ILE 38 2.107 2.114 -5.226 316 HD13 ILE 38 HD13 ILE 38 3.134 3.540 -5.426 317 H VAL 39 H VAL 39 2.188 2.325 1.077 318 HA VAL 39 HA VAL 39 0.937 -0.278 1.558 319 HB VAL 39 HB VAL 39 1.857 1.800 3.560 320 HG11 VAL 39 HG11 VAL 39 0.877 -1.012 3.986 321 HG12 VAL 39 HG12 VAL 39 0.011 0.466 4.380 322 HG13 VAL 39 HG13 VAL 39 1.496 0.064 5.235 323 HG21 VAL 39 HG21 VAL 39 3.789 0.804 2.465 324 HG22 VAL 39 HG22 VAL 39 3.168 -0.813 2.812 325 HG23 VAL 39 HG23 VAL 39 3.670 0.243 4.131 326 H ALA 40 H ALA 40 -1.197 -0.290 1.925 327 HA ALA 40 HA ALA 40 -2.622 2.250 2.361 328 HB1 ALA 40 HB1 ALA 40 -2.621 1.841 -0.015 329 HB2 ALA 40 HB2 ALA 40 -4.240 1.607 0.663 330 HB3 ALA 40 HB3 ALA 40 -3.245 0.217 0.250 331 H ARG 41 H ARG 41 -4.262 2.046 3.685 332 HA ARG 41 HA ARG 41 -5.018 -0.690 4.447 333 HB2 ARG 41 HB2 ARG 41 -4.227 1.074 6.342 334 HB3 ARG 41 HB3 ARG 41 -5.749 1.738 5.985 335 HG2 ARG 41 HG2 ARG 41 -6.993 0.166 6.958 336 HG3 ARG 41 HG3 ARG 41 -5.853 -1.115 6.525 337 HD2 ARG 41 HD2 ARG 41 -6.009 -0.667 8.977 338 HD3 ARG 41 HD3 ARG 41 -4.391 -0.548 8.304 339 HE ARG 41 HE ARG 41 -5.705 1.981 8.428 340 HH11 ARG 41 HH11 ARG 41 -3.959 -0.392 10.376 341 HH12 ARG 41 HH12 ARG 41 -3.414 0.724 11.535 342 HH21 ARG 41 HH21 ARG 41 -4.921 3.543 10.013 343 HH22 ARG 41 HH22 ARG 41 -3.985 3.014 11.318 344 H LEU 42 H LEU 42 -6.951 -1.342 4.064 345 HA LEU 42 HA LEU 42 -8.550 0.255 2.262 346 HB2 LEU 42 HB2 LEU 42 -8.977 -2.487 3.384 347 HB3 LEU 42 HB3 LEU 42 -9.800 -1.845 1.999 348 HG LEU 42 HG LEU 42 -6.939 -2.657 2.276 349 HD11 LEU 42 HD11 LEU 42 -7.410 -4.079 0.374 350 HD12 LEU 42 HD12 LEU 42 -9.104 -3.559 0.442 351 HD13 LEU 42 HD13 LEU 42 -8.367 -4.401 1.814 352 HD21 LEU 42 HD21 LEU 42 -6.532 -1.876 -0.031 353 HD22 LEU 42 HD22 LEU 42 -6.846 -0.566 1.108 354 HD23 LEU 42 HD23 LEU 42 -8.111 -1.076 -0.004 355 H LYS 43 H LYS 43 -10.670 0.743 2.443 356 HA LYS 43 HA LYS 43 -11.397 1.739 5.001 357 HB2 LYS 43 HB2 LYS 43 -12.844 1.657 2.363 358 HB3 LYS 43 HB3 LYS 43 -13.483 2.483 3.771 359 HG2 LYS 43 HG2 LYS 43 -11.542 3.932 3.782 360 HG3 LYS 43 HG3 LYS 43 -10.891 3.097 2.360 361 HD2 LYS 43 HD2 LYS 43 -11.952 5.206 1.769 362 HD3 LYS 43 HD3 LYS 43 -12.866 3.855 1.102 363 HE2 LYS 43 HE2 LYS 43 -14.524 4.041 2.801 364 HE3 LYS 43 HE3 LYS 43 -13.530 5.180 3.706 365 HZ1 LYS 43 HZ1 LYS 43 -15.336 6.299 2.447 366 HZ2 LYS 43 HZ2 LYS 43 -14.687 5.720 1.008 367 HZ3 LYS 43 HZ3 LYS 43 -13.816 6.782 1.953 368 H ASN 44 H ASN 44 -13.118 -0.434 2.821 369 HA ASN 44 HA ASN 44 -14.861 -1.253 4.988 370 HB2 ASN 44 HB2 ASN 44 -15.770 -0.956 2.708 371 HB3 ASN 44 HB3 ASN 44 -14.762 -2.283 2.145 372 HD21 ASN 44 HD21 ASN 44 -17.547 -1.388 3.994 373 HD22 ASN 44 HD22 ASN 44 -18.229 -2.959 4.124 374 H ASN 45 H ASN 45 -12.259 -2.663 3.136 375 HA ASN 45 HA ASN 45 -12.560 -5.215 4.444 376 HB2 ASN 45 HB2 ASN 45 -11.754 -5.043 2.080 377 HB3 ASN 45 HB3 ASN 45 -10.311 -4.228 2.657 378 HD21 ASN 45 HD21 ASN 45 -9.023 -5.884 1.676 379 HD22 ASN 45 HD22 ASN 45 -8.875 -7.431 2.379 380 H ASN 46 H ASN 46 -10.675 -2.334 4.842 381 HA ASN 46 HA ASN 46 -9.303 -1.488 6.527 382 HB2 ASN 46 HB2 ASN 46 -11.297 -2.095 7.929 383 HB3 ASN 46 HB3 ASN 46 -10.596 -3.679 8.204 384 HD21 ASN 46 HD21 ASN 46 -8.995 -3.886 9.759 385 HD22 ASN 46 HD22 ASN 46 -8.489 -2.613 10.796 386 H ARG 47 H ARG 47 -8.609 -4.399 5.175 387 HA ARG 47 HA ARG 47 -6.406 -4.938 6.831 388 HB2 ARG 47 HB2 ARG 47 -7.316 -5.870 4.150 389 HB3 ARG 47 HB3 ARG 47 -5.886 -6.486 4.982 390 HG2 ARG 47 HG2 ARG 47 -7.240 -7.243 6.827 391 HG3 ARG 47 HG3 ARG 47 -8.681 -6.558 6.069 392 HD2 ARG 47 HD2 ARG 47 -8.510 -8.028 4.248 393 HD3 ARG 47 HD3 ARG 47 -6.898 -8.499 4.843 394 HE ARG 47 HE ARG 47 -8.359 -9.234 6.887 395 HH11 ARG 47 HH11 ARG 47 -9.112 -9.797 3.473 396 HH12 ARG 47 HH12 ARG 47 -10.029 -11.196 3.758 397 HH21 ARG 47 HH21 ARG 47 -9.616 -11.179 7.276 398 HH22 ARG 47 HH22 ARG 47 -10.336 -11.991 5.966 399 H GLN 48 H GLN 48 -4.288 -4.508 6.374 400 HA GLN 48 HA GLN 48 -4.003 -2.299 4.568 401 HB2 GLN 48 HB2 GLN 48 -3.395 -1.925 6.916 402 HB3 GLN 48 HB3 GLN 48 -2.185 -3.207 6.794 403 HG2 GLN 48 HG2 GLN 48 -1.034 -1.968 5.178 404 HG3 GLN 48 HG3 GLN 48 -2.381 -0.817 5.143 405 HE21 GLN 48 HE21 GLN 48 0.339 -1.964 7.006 406 HE22 GLN 48 HE22 GLN 48 0.388 -0.632 8.097 407 H VAL 49 H VAL 49 -3.117 -2.567 2.779 408 HA VAL 49 HA VAL 49 -1.572 -5.003 2.268 409 HB VAL 49 HB VAL 49 -2.580 -5.117 0.068 410 HG11 VAL 49 HG11 VAL 49 -4.884 -5.665 0.681 411 HG12 VAL 49 HG12 VAL 49 -4.660 -4.844 2.226 412 HG13 VAL 49 HG13 VAL 49 -3.720 -6.289 1.851 413 HG21 VAL 49 HG21 VAL 49 -2.937 -2.727 -0.334 414 HG22 VAL 49 HG22 VAL 49 -4.228 -2.705 0.873 415 HG23 VAL 49 HG23 VAL 49 -4.412 -3.640 -0.619 416 H CYS 50 H CYS 50 -0.542 -4.634 -0.042 417 HA CYS 50 HA CYS 50 0.764 -2.034 0.077 418 HB2 CYS 50 HB2 CYS 50 1.890 -4.564 -1.153 419 HB3 CYS 50 HB3 CYS 50 2.680 -3.048 -0.823 420 H ILE 51 H ILE 51 1.091 -1.000 -1.890 421 HA ILE 51 HA ILE 51 -0.673 -1.959 -4.028 422 HB ILE 51 HB ILE 51 -0.024 0.925 -3.384 423 HG12 ILE 51 HG12 ILE 51 -2.417 -0.779 -2.782 424 HG13 ILE 51 HG13 ILE 51 -1.362 0.011 -1.645 425 HG21 ILE 51 HG21 ILE 51 -0.507 0.523 -5.736 426 HG22 ILE 51 HG22 ILE 51 -1.834 1.401 -4.965 427 HG23 ILE 51 HG23 ILE 51 -1.987 -0.326 -5.280 428 HD11 ILE 51 HD11 ILE 51 -2.054 2.216 -2.377 429 HD12 ILE 51 HD12 ILE 51 -3.460 1.271 -1.876 430 HD13 ILE 51 HD13 ILE 51 -3.109 1.498 -3.591 431 H ASP 52 H ASP 52 -0.020 -1.835 -6.055 432 HA ASP 52 HA ASP 52 2.790 -1.783 -6.576 433 HB2 ASP 52 HB2 ASP 52 1.438 -3.412 -7.512 434 HB3 ASP 52 HB3 ASP 52 0.361 -2.242 -8.297 435 HA PRO 53 HA PRO 53 2.861 2.558 -7.503 436 HB2 PRO 53 HB2 PRO 53 5.296 2.634 -8.713 437 HB3 PRO 53 HB3 PRO 53 5.066 2.524 -6.963 438 HG2 PRO 53 HG2 PRO 53 5.644 0.342 -8.932 439 HG3 PRO 53 HG3 PRO 53 6.360 0.625 -7.337 440 HD2 PRO 53 HD2 PRO 53 4.444 -1.207 -7.717 441 HD3 PRO 53 HD3 PRO 53 4.538 -0.249 -6.222 442 H LYS 54 H LYS 54 2.550 0.163 -9.858 443 HA LYS 54 HA LYS 54 2.772 2.083 -12.042 444 HB2 LYS 54 HB2 LYS 54 2.475 -0.905 -12.115 445 HB3 LYS 54 HB3 LYS 54 2.663 0.143 -13.512 446 HG2 LYS 54 HG2 LYS 54 4.853 0.811 -12.838 447 HG3 LYS 54 HG3 LYS 54 4.688 -0.034 -11.305 448 HD2 LYS 54 HD2 LYS 54 4.651 -1.406 -13.992 449 HD3 LYS 54 HD3 LYS 54 6.107 -1.160 -13.040 450 HE2 LYS 54 HE2 LYS 54 5.348 -3.419 -12.559 451 HE3 LYS 54 HE3 LYS 54 4.996 -2.365 -11.190 452 HZ1 LYS 54 HZ1 LYS 54 3.232 -3.985 -11.856 453 HZ2 LYS 54 HZ2 LYS 54 2.916 -2.995 -13.181 454 HZ3 LYS 54 HZ3 LYS 54 2.743 -2.405 -11.601 455 H LEU 55 H LEU 55 0.426 1.111 -9.955 456 HA LEU 55 HA LEU 55 -1.780 0.883 -11.692 457 HB2 LEU 55 HB2 LEU 55 -1.413 1.759 -8.902 458 HB3 LEU 55 HB3 LEU 55 -2.967 1.963 -9.619 459 HG LEU 55 HG LEU 55 -1.547 -0.700 -9.235 460 HD11 LEU 55 HD11 LEU 55 -3.951 0.497 -7.869 461 HD12 LEU 55 HD12 LEU 55 -2.345 0.339 -7.161 462 HD13 LEU 55 HD13 LEU 55 -3.275 -1.105 -7.567 463 HD21 LEU 55 HD21 LEU 55 -3.717 -1.654 -9.866 464 HD22 LEU 55 HD22 LEU 55 -3.004 -0.744 -11.210 465 HD23 LEU 55 HD23 LEU 55 -4.314 -0.056 -10.237 466 H LYS 56 H LYS 56 -3.166 2.388 -12.446 467 HA LYS 56 HA LYS 56 -1.843 4.793 -13.183 468 HB2 LYS 56 HB2 LYS 56 -4.605 3.834 -13.894 469 HB3 LYS 56 HB3 LYS 56 -3.882 5.308 -14.524 470 HG2 LYS 56 HG2 LYS 56 -2.051 3.997 -15.474 471 HG3 LYS 56 HG3 LYS 56 -2.811 2.523 -14.881 472 HD2 LYS 56 HD2 LYS 56 -4.756 2.959 -16.286 473 HD3 LYS 56 HD3 LYS 56 -4.025 4.468 -16.846 474 HE2 LYS 56 HE2 LYS 56 -2.131 3.193 -17.744 475 HE3 LYS 56 HE3 LYS 56 -2.908 1.699 -17.229 476 HZ1 LYS 56 HZ1 LYS 56 -3.980 3.616 -19.228 477 HZ2 LYS 56 HZ2 LYS 56 -4.745 2.194 -18.753 478 HZ3 LYS 56 HZ3 LYS 56 -3.272 2.130 -19.564 479 H TRP 57 H TRP 57 -4.486 4.090 -10.960 480 HA TRP 57 HA TRP 57 -4.953 6.867 -10.529 481 HB2 TRP 57 HB2 TRP 57 -6.330 6.261 -8.609 482 HB3 TRP 57 HB3 TRP 57 -6.662 5.144 -9.914 483 HD1 TRP 57 HD1 TRP 57 -6.045 2.518 -9.441 484 HE1 TRP 57 HE1 TRP 57 -5.594 1.278 -7.301 485 HE3 TRP 57 HE3 TRP 57 -5.179 6.504 -6.356 486 HZ2 TRP 57 HZ2 TRP 57 -4.945 1.848 -4.632 487 HZ3 TRP 57 HZ3 TRP 57 -4.660 6.052 -4.001 488 HH2 TRP 57 HH2 TRP 57 -4.543 3.760 -3.157 489 H ILE 58 H ILE 58 -2.720 4.597 -9.385 490 HA ILE 58 HA ILE 58 -1.626 6.100 -7.245 491 HB ILE 58 HB ILE 58 -0.584 3.831 -8.933 492 HG12 ILE 58 HG12 ILE 58 -2.320 3.247 -7.348 493 HG13 ILE 58 HG13 ILE 58 -0.786 2.532 -6.877 494 HG21 ILE 58 HG21 ILE 58 1.267 3.586 -7.410 495 HG22 ILE 58 HG22 ILE 58 0.889 5.139 -6.669 496 HG23 ILE 58 HG23 ILE 58 1.373 5.065 -8.373 497 HD11 ILE 58 HD11 ILE 58 -0.466 4.293 -5.224 498 HD12 ILE 58 HD12 ILE 58 -1.953 3.389 -4.938 499 HD13 ILE 58 HD13 ILE 58 -2.024 4.995 -5.661 500 H GLN 59 H GLN 59 -0.833 5.781 -10.670 501 HA GLN 59 HA GLN 59 1.340 7.512 -10.765 502 HB2 GLN 59 HB2 GLN 59 -0.815 7.015 -12.794 503 HB3 GLN 59 HB3 GLN 59 0.622 7.988 -13.105 504 HG2 GLN 59 HG2 GLN 59 0.648 5.084 -12.301 505 HG3 GLN 59 HG3 GLN 59 0.808 5.667 -13.960 506 HE21 GLN 59 HE21 GLN 59 2.370 5.360 -10.858 507 HE22 GLN 59 HE22 GLN 59 3.934 5.834 -11.413 508 H GLU 60 H GLU 60 -2.115 8.213 -10.880 509 HA GLU 60 HA GLU 60 -1.914 10.995 -11.268 510 HB2 GLU 60 HB2 GLU 60 -4.055 9.526 -9.725 511 HB3 GLU 60 HB3 GLU 60 -4.200 11.123 -10.438 512 HG2 GLU 60 HG2 GLU 60 -3.932 10.094 -12.660 513 HG3 GLU 60 HG3 GLU 60 -3.914 8.510 -11.890 514 H TYR 61 H TYR 61 -2.160 8.992 -8.369 515 HA TYR 61 HA TYR 61 -2.187 11.009 -6.442 516 HB2 TYR 61 HB2 TYR 61 -2.744 8.625 -5.987 517 HB3 TYR 61 HB3 TYR 61 -1.053 8.202 -6.189 518 HD1 TYR 61 HD1 TYR 61 -3.409 10.118 -4.081 519 HD2 TYR 61 HD2 TYR 61 0.469 8.374 -4.323 520 HE1 TYR 61 HE1 TYR 61 -3.080 10.532 -1.687 521 HE2 TYR 61 HE2 TYR 61 0.807 8.793 -1.936 522 HH TYR 61 HH TYR 61 -1.739 9.739 0.159 523 H LEU 62 H LEU 62 0.583 9.234 -7.811 524 HA LEU 62 HA LEU 62 2.520 10.616 -6.267 525 HB2 LEU 62 HB2 LEU 62 2.703 8.855 -8.666 526 HB3 LEU 62 HB3 LEU 62 4.105 9.766 -8.167 527 HG LEU 62 HG LEU 62 4.028 8.625 -5.957 528 HD11 LEU 62 HD11 LEU 62 1.847 6.991 -7.165 529 HD12 LEU 62 HD12 LEU 62 1.691 8.137 -5.833 530 HD13 LEU 62 HD13 LEU 62 2.655 6.671 -5.625 531 HD21 LEU 62 HD21 LEU 62 5.440 7.811 -7.704 532 HD22 LEU 62 HD22 LEU 62 4.127 6.811 -8.341 533 HD23 LEU 62 HD23 LEU 62 4.810 6.471 -6.741 534 H GLU 63 H GLU 63 1.124 11.240 -9.413 535 HA GLU 63 HA GLU 63 2.954 13.188 -10.280 536 HB2 GLU 63 HB2 GLU 63 1.353 12.009 -11.738 537 HB3 GLU 63 HB3 GLU 63 0.028 12.793 -10.903 538 HG2 GLU 63 HG2 GLU 63 0.869 14.943 -11.645 539 HG3 GLU 63 HG3 GLU 63 2.144 14.100 -12.539 540 H LYS 64 H LYS 64 -0.189 13.307 -8.755 541 HA LYS 64 HA LYS 64 -0.635 15.992 -8.330 542 HB2 LYS 64 HB2 LYS 64 -2.219 14.248 -7.877 543 HB3 LYS 64 HB3 LYS 64 -1.186 13.587 -6.633 544 HG2 LYS 64 HG2 LYS 64 -2.666 14.667 -5.410 545 HG3 LYS 64 HG3 LYS 64 -1.393 15.814 -5.522 546 HD2 LYS 64 HD2 LYS 64 -3.540 16.997 -5.881 547 HD3 LYS 64 HD3 LYS 64 -2.471 17.104 -7.284 548 HE2 LYS 64 HE2 LYS 64 -3.738 15.412 -8.440 549 HE3 LYS 64 HE3 LYS 64 -4.708 15.090 -7.001 550 HZ1 LYS 64 HZ1 LYS 64 -5.893 16.417 -8.606 551 HZ2 LYS 64 HZ2 LYS 64 -4.714 17.631 -8.572 552 HZ3 LYS 64 HZ3 LYS 64 -5.647 17.290 -7.201 553 H ALA 65 H ALA 65 0.530 13.706 -6.003 554 HA ALA 65 HA ALA 65 1.432 15.417 -3.998 555 HB1 ALA 65 HB1 ALA 65 2.694 13.561 -3.095 556 HB2 ALA 65 HB2 ALA 65 2.594 12.720 -4.640 557 HB3 ALA 65 HB3 ALA 65 1.130 13.004 -3.697 558 H LEU 66 H LEU 66 3.252 14.445 -6.896 559 HA LEU 66 HA LEU 66 5.687 15.573 -5.921 560 HB2 LEU 66 HB2 LEU 66 5.645 13.704 -7.478 561 HB3 LEU 66 HB3 LEU 66 4.814 14.686 -8.665 562 HG LEU 66 HG LEU 66 6.743 16.131 -8.791 563 HD11 LEU 66 HD11 LEU 66 8.914 15.332 -7.853 564 HD12 LEU 66 HD12 LEU 66 8.036 14.067 -7.003 565 HD13 LEU 66 HD13 LEU 66 7.747 15.763 -6.602 566 HD21 LEU 66 HD21 LEU 66 7.308 13.219 -9.342 567 HD22 LEU 66 HD22 LEU 66 8.189 14.570 -10.052 568 HD23 LEU 66 HD23 LEU 66 6.478 14.351 -10.407 569 H ASN 67 H ASN 67 3.067 16.526 -8.047 570 HA ASN 67 HA ASN 67 4.255 18.921 -9.018 571 HB2 ASN 67 HB2 ASN 67 2.518 17.766 -10.285 572 HB3 ASN 67 HB3 ASN 67 1.373 18.008 -8.972 573 HD21 ASN 67 HD21 ASN 67 3.048 19.456 -11.606 574 HD22 ASN 67 HD22 ASN 67 2.153 20.929 -11.659 575 H LYS 68 H LYS 68 1.788 18.254 -6.557 576 HA LYS 68 HA LYS 68 2.178 20.978 -5.589 577 HB2 LYS 68 HB2 LYS 68 -0.003 20.653 -6.696 578 HB3 LYS 68 HB3 LYS 68 -0.371 19.364 -5.561 579 HG2 LYS 68 HG2 LYS 68 -0.282 20.976 -3.724 580 HG3 LYS 68 HG3 LYS 68 0.085 22.253 -4.879 581 HD2 LYS 68 HD2 LYS 68 -2.025 21.815 -6.029 582 HD3 LYS 68 HD3 LYS 68 -2.411 20.576 -4.841 583 HE2 LYS 68 HE2 LYS 68 -3.539 22.668 -4.311 584 HE3 LYS 68 HE3 LYS 68 -2.363 22.257 -3.066 585 HZ1 LYS 68 HZ1 LYS 68 -2.303 24.593 -3.674 586 HZ2 LYS 68 HZ2 LYS 68 -1.928 24.217 -5.261 587 HZ3 LYS 68 HZ3 LYS 68 -0.829 23.872 -4.036 Start of MODEL 14 1 H LYS 1 H LYS 1 13.261 -23.271 15.246 2 HA LYS 1 HA LYS 1 13.186 -22.616 12.999 3 HB2 LYS 1 HB2 LYS 1 11.050 -21.383 13.075 4 HB3 LYS 1 HB3 LYS 1 11.793 -20.134 14.065 5 HG2 LYS 1 HG2 LYS 1 13.308 -19.593 12.202 6 HG3 LYS 1 HG3 LYS 1 12.498 -20.800 11.210 7 HD2 LYS 1 HD2 LYS 1 11.180 -18.365 12.427 8 HD3 LYS 1 HD3 LYS 1 11.740 -18.485 10.766 9 HE2 LYS 1 HE2 LYS 1 10.157 -20.326 10.376 10 HE3 LYS 1 HE3 LYS 1 9.595 -20.189 12.039 11 HZ1 LYS 1 HZ1 LYS 1 8.144 -19.023 10.462 12 HZ2 LYS 1 HZ2 LYS 1 9.419 -18.047 9.995 13 HZ3 LYS 1 HZ3 LYS 1 8.806 -17.945 11.561 14 HA PRO 2 HA PRO 2 17.074 -20.910 14.467 15 HB2 PRO 2 HB2 PRO 2 18.383 -20.965 12.067 16 HB3 PRO 2 HB3 PRO 2 18.162 -22.404 13.067 17 HG2 PRO 2 HG2 PRO 2 16.608 -21.500 10.675 18 HG3 PRO 2 HG3 PRO 2 17.161 -23.131 11.099 19 HD2 PRO 2 HD2 PRO 2 14.621 -22.307 11.485 20 HD3 PRO 2 HD3 PRO 2 15.410 -23.479 12.562 21 H VAL 3 H VAL 3 15.070 -19.753 11.972 22 HA VAL 3 HA VAL 3 14.430 -17.742 11.293 23 HB VAL 3 HB VAL 3 16.283 -16.583 13.406 24 HG11 VAL 3 HG11 VAL 3 14.068 -15.228 11.856 25 HG12 VAL 3 HG12 VAL 3 15.797 -14.946 11.640 26 HG13 VAL 3 HG13 VAL 3 15.005 -14.507 13.156 27 HG21 VAL 3 HG21 VAL 3 14.506 -17.965 14.355 28 HG22 VAL 3 HG22 VAL 3 13.300 -17.057 13.450 29 HG23 VAL 3 HG23 VAL 3 14.231 -16.262 14.719 30 H SER 4 H SER 4 15.008 -17.635 9.337 31 HA SER 4 HA SER 4 17.692 -17.453 8.470 32 HB2 SER 4 HB2 SER 4 15.995 -18.615 7.137 33 HB3 SER 4 HB3 SER 4 15.076 -17.119 6.973 34 HG SER 4 HG SER 4 17.753 -17.174 6.159 35 H LEU 5 H LEU 5 18.794 -15.613 8.695 36 HA LEU 5 HA LEU 5 17.321 -13.151 8.754 37 HB2 LEU 5 HB2 LEU 5 19.364 -11.977 9.431 38 HB3 LEU 5 HB3 LEU 5 19.022 -13.321 10.482 39 HG LEU 5 HG LEU 5 21.182 -13.269 8.351 40 HD11 LEU 5 HD11 LEU 5 22.729 -13.132 10.237 41 HD12 LEU 5 HD12 LEU 5 21.363 -12.989 11.340 42 HD13 LEU 5 HD13 LEU 5 21.664 -11.728 10.145 43 HD21 LEU 5 HD21 LEU 5 22.042 -15.271 9.502 44 HD22 LEU 5 HD22 LEU 5 20.473 -15.565 8.776 45 HD23 LEU 5 HD23 LEU 5 20.608 -15.308 10.523 46 H SER 6 H SER 6 16.579 -13.170 6.723 47 HA SER 6 HA SER 6 18.522 -12.501 4.674 48 HB2 SER 6 HB2 SER 6 16.571 -13.004 3.122 49 HB3 SER 6 HB3 SER 6 17.206 -14.382 4.020 50 HG SER 6 HG SER 6 15.384 -14.602 4.948 51 H TYR 7 H TYR 7 18.368 -10.560 3.607 52 HA TYR 7 HA TYR 7 16.776 -8.589 4.973 53 HB2 TYR 7 HB2 TYR 7 18.835 -8.260 2.778 54 HB3 TYR 7 HB3 TYR 7 18.029 -6.932 3.618 55 HD1 TYR 7 HD1 TYR 7 18.423 -6.604 6.047 56 HD2 TYR 7 HD2 TYR 7 20.672 -9.399 3.765 57 HE1 TYR 7 HE1 TYR 7 20.098 -6.707 7.834 58 HE2 TYR 7 HE2 TYR 7 22.345 -9.518 5.546 59 HH TYR 7 HH TYR 7 21.733 -8.345 8.616 60 H ARG 8 H ARG 8 14.817 -9.067 4.437 61 HA ARG 8 HA ARG 8 13.917 -9.377 1.718 62 HB2 ARG 8 HB2 ARG 8 11.689 -9.608 2.755 63 HB3 ARG 8 HB3 ARG 8 12.883 -10.695 3.454 64 HG2 ARG 8 HG2 ARG 8 13.097 -9.302 5.402 65 HG3 ARG 8 HG3 ARG 8 12.047 -8.078 4.685 66 HD2 ARG 8 HD2 ARG 8 11.214 -10.904 5.328 67 HD3 ARG 8 HD3 ARG 8 10.912 -9.503 6.358 68 HE ARG 8 HE ARG 8 9.879 -8.801 3.949 69 HH11 ARG 8 HH11 ARG 8 9.358 -11.565 6.117 70 HH12 ARG 8 HH12 ARG 8 7.717 -11.733 5.734 71 HH21 ARG 8 HH21 ARG 8 7.564 -9.064 3.408 72 HH22 ARG 8 HH22 ARG 8 6.701 -10.313 4.167 73 H CYS 9 H CYS 9 11.636 -8.162 1.505 74 HA CYS 9 HA CYS 9 12.194 -5.301 1.775 75 HB2 CYS 9 HB2 CYS 9 10.334 -6.742 -0.148 76 HB3 CYS 9 HB3 CYS 9 10.707 -5.025 -0.146 77 HA PRO 10 HA PRO 10 8.757 -4.908 4.635 78 HB2 PRO 10 HB2 PRO 10 7.887 -2.741 2.740 79 HB3 PRO 10 HB3 PRO 10 8.009 -2.712 4.502 80 HG2 PRO 10 HG2 PRO 10 9.887 -1.563 3.041 81 HG3 PRO 10 HG3 PRO 10 10.319 -2.502 4.481 82 HD2 PRO 10 HD2 PRO 10 10.589 -3.227 1.598 83 HD3 PRO 10 HD3 PRO 10 11.635 -3.635 2.975 84 H CYS 11 H CYS 11 8.037 -4.805 1.149 85 HA CYS 11 HA CYS 11 5.813 -6.602 1.706 86 HB2 CYS 11 HB2 CYS 11 5.794 -4.323 -0.279 87 HB3 CYS 11 HB3 CYS 11 4.557 -5.558 -0.193 88 H ARG 12 H ARG 12 5.586 -8.254 0.253 89 HA ARG 12 HA ARG 12 7.453 -8.354 -2.034 90 HB2 ARG 12 HB2 ARG 12 6.349 -10.676 -0.433 91 HB3 ARG 12 HB3 ARG 12 7.431 -10.798 -1.805 92 HG2 ARG 12 HG2 ARG 12 9.193 -9.700 -0.513 93 HG3 ARG 12 HG3 ARG 12 8.093 -9.554 0.860 94 HD2 ARG 12 HD2 ARG 12 9.041 -12.130 -0.407 95 HD3 ARG 12 HD3 ARG 12 9.554 -11.478 1.151 96 HE ARG 12 HE ARG 12 6.796 -11.699 1.251 97 HH11 ARG 12 HH11 ARG 12 9.512 -13.931 0.914 98 HH12 ARG 12 HH12 ARG 12 8.700 -15.239 1.625 99 HH21 ARG 12 HH21 ARG 12 5.693 -13.466 2.221 100 HH22 ARG 12 HH22 ARG 12 6.472 -14.966 2.404 101 H PHE 13 H PHE 13 4.354 -7.933 -1.076 102 HA PHE 13 HA PHE 13 3.288 -8.946 -3.578 103 HB2 PHE 13 HB2 PHE 13 1.225 -9.642 -2.464 104 HB3 PHE 13 HB3 PHE 13 2.582 -10.490 -1.738 105 HD1 PHE 13 HD1 PHE 13 3.330 -9.830 0.550 106 HD2 PHE 13 HD2 PHE 13 -0.172 -8.191 -1.223 107 HE1 PHE 13 HE1 PHE 13 2.551 -9.091 2.767 108 HE2 PHE 13 HE2 PHE 13 -0.951 -7.445 0.987 109 HZ PHE 13 HZ PHE 13 0.413 -7.896 2.987 110 H PHE 14 H PHE 14 1.899 -7.515 -4.525 111 HA PHE 14 HA PHE 14 1.104 -5.115 -3.028 112 HB2 PHE 14 HB2 PHE 14 2.301 -5.210 -5.761 113 HB3 PHE 14 HB3 PHE 14 1.638 -3.760 -5.007 114 HD1 PHE 14 HD1 PHE 14 2.848 -2.965 -2.873 115 HD2 PHE 14 HD2 PHE 14 4.521 -5.754 -5.609 116 HE1 PHE 14 HE1 PHE 14 5.058 -2.441 -2.030 117 HE2 PHE 14 HE2 PHE 14 6.762 -5.247 -4.760 118 HZ PHE 14 HZ PHE 14 7.050 -3.583 -2.963 119 H GLU 15 H GLU 15 -0.859 -4.385 -3.584 120 HA GLU 15 HA GLU 15 -2.451 -6.181 -5.111 121 HB2 GLU 15 HB2 GLU 15 -3.085 -3.613 -3.722 122 HB3 GLU 15 HB3 GLU 15 -4.265 -4.447 -4.725 123 HG2 GLU 15 HG2 GLU 15 -2.825 -5.685 -2.440 124 HG3 GLU 15 HG3 GLU 15 -4.447 -4.944 -2.318 125 H SER 16 H SER 16 -3.299 -5.981 -6.926 126 HA SER 16 HA SER 16 -2.009 -4.076 -8.770 127 HB2 SER 16 HB2 SER 16 -3.360 -6.704 -9.383 128 HB3 SER 16 HB3 SER 16 -2.416 -5.720 -10.509 129 HG SER 16 HG SER 16 -1.106 -6.226 -8.194 130 H HIS 17 H HIS 17 -4.891 -4.581 -7.238 131 HA HIS 17 HA HIS 17 -6.219 -2.691 -8.989 132 HB2 HIS 17 HB2 HIS 17 -6.967 -4.923 -9.787 133 HB3 HIS 17 HB3 HIS 17 -7.485 -5.323 -8.154 134 HD1 HIS 17 HD1 HIS 17 -8.554 -3.603 -11.245 135 HD2 HIS 17 HD2 HIS 17 -9.857 -3.912 -7.316 136 HE1 HIS 17 HE1 HIS 17 -10.912 -2.793 -11.257 137 HE2 HIS 17 HE2 HIS 17 -11.742 -3.222 -8.933 138 H VAL 18 H VAL 18 -6.211 -1.133 -7.453 139 HA VAL 18 HA VAL 18 -7.528 -1.807 -4.914 140 HB VAL 18 HB VAL 18 -5.437 0.350 -5.306 141 HG11 VAL 18 HG11 VAL 18 -6.718 -0.727 -2.784 142 HG12 VAL 18 HG12 VAL 18 -6.994 0.852 -3.504 143 HG13 VAL 18 HG13 VAL 18 -5.414 0.459 -2.830 144 HG21 VAL 18 HG21 VAL 18 -3.909 -1.056 -4.043 145 HG22 VAL 18 HG22 VAL 18 -4.414 -1.843 -5.533 146 HG23 VAL 18 HG23 VAL 18 -5.115 -2.342 -3.990 147 H ALA 19 H ALA 19 -9.043 -0.256 -4.179 148 HA ALA 19 HA ALA 19 -9.781 1.680 -6.215 149 HB1 ALA 19 HB1 ALA 19 -11.379 0.502 -3.947 150 HB2 ALA 19 HB2 ALA 19 -11.503 0.065 -5.652 151 HB3 ALA 19 HB3 ALA 19 -11.972 1.682 -5.116 152 H ARG 20 H ARG 20 -9.558 3.729 -5.783 153 HA ARG 20 HA ARG 20 -8.352 4.654 -3.395 154 HB2 ARG 20 HB2 ARG 20 -7.939 5.679 -5.568 155 HB3 ARG 20 HB3 ARG 20 -9.630 6.112 -5.701 156 HG2 ARG 20 HG2 ARG 20 -9.412 7.688 -3.888 157 HG3 ARG 20 HG3 ARG 20 -7.734 7.188 -3.623 158 HD2 ARG 20 HD2 ARG 20 -7.886 9.253 -4.938 159 HD3 ARG 20 HD3 ARG 20 -7.125 7.911 -5.807 160 HE ARG 20 HE ARG 20 -9.944 8.095 -6.281 161 HH11 ARG 20 HH11 ARG 20 -6.854 9.441 -7.370 162 HH12 ARG 20 HH12 ARG 20 -7.410 9.745 -8.951 163 HH21 ARG 20 HH21 ARG 20 -10.679 8.536 -8.398 164 HH22 ARG 20 HH22 ARG 20 -9.646 9.263 -9.541 165 H ALA 21 H ALA 21 -11.533 4.131 -4.460 166 HA ALA 21 HA ALA 21 -12.806 5.798 -2.504 167 HB1 ALA 21 HB1 ALA 21 -13.933 3.548 -4.173 168 HB2 ALA 21 HB2 ALA 21 -13.919 5.253 -4.621 169 HB3 ALA 21 HB3 ALA 21 -14.872 4.713 -3.238 170 H ASN 22 H ASN 22 -11.117 2.879 -2.360 171 HA ASN 22 HA ASN 22 -12.595 2.004 0.044 172 HB2 ASN 22 HB2 ASN 22 -12.428 0.396 -1.875 173 HB3 ASN 22 HB3 ASN 22 -10.682 0.412 -1.647 174 HD21 ASN 22 HD21 ASN 22 -10.415 -1.583 -1.004 175 HD22 ASN 22 HD22 ASN 22 -11.069 -2.324 0.400 176 H VAL 23 H VAL 23 -9.858 3.682 -0.916 177 HA VAL 23 HA VAL 23 -8.087 2.470 0.993 178 HB VAL 23 HB VAL 23 -7.124 3.491 -1.033 179 HG11 VAL 23 HG11 VAL 23 -6.923 5.904 -1.279 180 HG12 VAL 23 HG12 VAL 23 -7.980 6.134 0.116 181 HG13 VAL 23 HG13 VAL 23 -8.601 5.373 -1.351 182 HG21 VAL 23 HG21 VAL 23 -5.292 4.669 0.030 183 HG22 VAL 23 HG22 VAL 23 -5.755 3.225 0.930 184 HG23 VAL 23 HG23 VAL 23 -6.243 4.815 1.510 185 H LYS 24 H LYS 24 -8.005 2.725 2.966 186 HA LYS 24 HA LYS 24 -9.609 4.691 4.383 187 HB2 LYS 24 HB2 LYS 24 -9.075 2.102 4.849 188 HB3 LYS 24 HB3 LYS 24 -7.711 2.801 5.692 189 HG2 LYS 24 HG2 LYS 24 -10.627 3.288 6.302 190 HG3 LYS 24 HG3 LYS 24 -9.516 2.283 7.218 191 HD2 LYS 24 HD2 LYS 24 -8.169 4.292 7.675 192 HD3 LYS 24 HD3 LYS 24 -9.393 5.245 6.827 193 HE2 LYS 24 HE2 LYS 24 -11.083 4.505 8.423 194 HE3 LYS 24 HE3 LYS 24 -9.859 3.536 9.241 195 HZ1 LYS 24 HZ1 LYS 24 -9.872 6.499 9.025 196 HZ2 LYS 24 HZ2 LYS 24 -8.662 5.612 9.763 197 HZ3 LYS 24 HZ3 LYS 24 -10.215 5.615 10.408 198 H HIS 25 H HIS 25 -6.163 3.940 3.778 199 HA HIS 25 HA HIS 25 -5.469 6.661 4.228 200 HB2 HIS 25 HB2 HIS 25 -3.883 6.464 6.060 201 HB3 HIS 25 HB3 HIS 25 -5.426 5.840 6.633 202 HD1 HIS 25 HD1 HIS 25 -2.973 5.361 8.211 203 HD2 HIS 25 HD2 HIS 25 -4.066 2.797 5.146 204 HE1 HIS 25 HE1 HIS 25 -1.819 3.209 8.705 205 HE2 HIS 25 HE2 HIS 25 -2.631 1.620 7.010 206 H LEU 26 H LEU 26 -3.549 7.270 3.305 207 HA LEU 26 HA LEU 26 -2.213 5.208 1.713 208 HB2 LEU 26 HB2 LEU 26 -2.186 8.232 1.469 209 HB3 LEU 26 HB3 LEU 26 -1.164 7.181 0.533 210 HG LEU 26 HG LEU 26 -2.942 7.943 -0.832 211 HD11 LEU 26 HD11 LEU 26 -3.985 5.857 -1.557 212 HD12 LEU 26 HD12 LEU 26 -3.344 5.068 -0.118 213 HD13 LEU 26 HD13 LEU 26 -2.243 5.745 -1.316 214 HD21 LEU 26 HD21 LEU 26 -4.599 8.548 0.834 215 HD22 LEU 26 HD22 LEU 26 -4.867 6.850 1.224 216 HD23 LEU 26 HD23 LEU 26 -5.321 7.476 -0.362 217 H LYS 27 H LYS 27 -0.117 4.721 1.998 218 HA LYS 27 HA LYS 27 1.606 6.471 3.519 219 HB2 LYS 27 HB2 LYS 27 0.583 4.955 5.174 220 HB3 LYS 27 HB3 LYS 27 1.084 3.571 4.224 221 HG2 LYS 27 HG2 LYS 27 3.433 4.159 4.615 222 HG3 LYS 27 HG3 LYS 27 2.922 5.545 5.577 223 HD2 LYS 27 HD2 LYS 27 2.331 2.647 6.192 224 HD3 LYS 27 HD3 LYS 27 3.546 3.643 6.985 225 HE2 LYS 27 HE2 LYS 27 0.551 4.094 7.040 226 HE3 LYS 27 HE3 LYS 27 1.535 3.462 8.347 227 HZ1 LYS 27 HZ1 LYS 27 2.725 5.589 8.420 228 HZ2 LYS 27 HZ2 LYS 27 1.071 5.806 8.673 229 HZ3 LYS 27 HZ3 LYS 27 1.741 6.196 7.191 230 H ILE 28 H ILE 28 3.636 6.376 2.568 231 HA ILE 28 HA ILE 28 4.110 4.060 0.861 232 HB ILE 28 HB ILE 28 4.786 6.910 0.051 233 HG12 ILE 28 HG12 ILE 28 2.734 4.982 -1.051 234 HG13 ILE 28 HG13 ILE 28 2.379 6.451 -0.154 235 HG21 ILE 28 HG21 ILE 28 6.434 5.264 -0.741 236 HG22 ILE 28 HG22 ILE 28 5.466 5.896 -2.083 237 HG23 ILE 28 HG23 ILE 28 5.118 4.299 -1.427 238 HD11 ILE 28 HD11 ILE 28 3.637 6.271 -2.891 239 HD12 ILE 28 HD12 ILE 28 3.336 7.774 -2.012 240 HD13 ILE 28 HD13 ILE 28 1.990 6.749 -2.530 241 H LEU 29 H LEU 29 5.952 3.084 1.141 242 HA LEU 29 HA LEU 29 7.998 4.350 2.825 243 HB2 LEU 29 HB2 LEU 29 6.776 2.481 3.901 244 HB3 LEU 29 HB3 LEU 29 7.240 1.452 2.557 245 HG LEU 29 HG LEU 29 9.582 1.591 3.209 246 HD11 LEU 29 HD11 LEU 29 10.230 2.640 5.324 247 HD12 LEU 29 HD12 LEU 29 8.587 3.250 5.531 248 HD13 LEU 29 HD13 LEU 29 9.580 3.827 4.194 249 HD21 LEU 29 HD21 LEU 29 9.422 0.317 5.287 250 HD22 LEU 29 HD22 LEU 29 8.196 -0.185 4.124 251 HD23 LEU 29 HD23 LEU 29 7.755 0.850 5.485 252 H ASN 30 H ASN 30 9.748 4.822 1.621 253 HA ASN 30 HA ASN 30 10.307 3.252 -0.754 254 HB2 ASN 30 HB2 ASN 30 12.135 4.916 -1.183 255 HB3 ASN 30 HB3 ASN 30 10.549 5.657 -1.065 256 HD21 ASN 30 HD21 ASN 30 10.091 6.995 0.697 257 HD22 ASN 30 HD22 ASN 30 11.316 7.601 1.723 258 H THR 31 H THR 31 11.764 1.667 -0.897 259 HA THR 31 HA THR 31 13.367 1.201 1.490 260 HB THR 31 HB THR 31 12.400 -0.739 -0.622 261 HG1 THR 31 HG1 THR 31 11.057 0.509 1.288 262 HG21 THR 31 HG21 THR 31 12.885 -2.438 1.088 263 HG22 THR 31 HG22 THR 31 13.474 -1.174 2.170 264 HG23 THR 31 HG23 THR 31 14.340 -1.525 0.672 265 HA PRO 32 HA PRO 32 16.997 2.009 -1.034 266 HB2 PRO 32 HB2 PRO 32 18.211 -0.238 0.456 267 HB3 PRO 32 HB3 PRO 32 18.838 1.401 0.261 268 HG2 PRO 32 HG2 PRO 32 17.793 0.701 2.559 269 HG3 PRO 32 HG3 PRO 32 17.321 2.261 1.853 270 HD2 PRO 32 HD2 PRO 32 15.828 -0.334 1.854 271 HD3 PRO 32 HD3 PRO 32 15.233 1.301 2.203 272 H ASN 33 H ASN 33 17.004 -1.480 -0.388 273 HA ASN 33 HA ASN 33 17.917 -1.945 -3.131 274 HB2 ASN 33 HB2 ASN 33 18.506 -4.228 -2.328 275 HB3 ASN 33 HB3 ASN 33 19.272 -2.951 -1.391 276 HD21 ASN 33 HD21 ASN 33 18.578 -2.574 0.714 277 HD22 ASN 33 HD22 ASN 33 17.652 -3.712 1.594 278 H CYS 34 H CYS 34 14.993 -1.623 -1.956 279 HA CYS 34 HA CYS 34 13.880 -3.714 -3.612 280 HB2 CYS 34 HB2 CYS 34 12.845 -2.555 -1.035 281 HB3 CYS 34 HB3 CYS 34 11.973 -3.683 -2.053 282 H ALA 35 H ALA 35 11.471 -2.895 -4.083 283 HA ALA 35 HA ALA 35 11.809 -0.449 -5.532 284 HB1 ALA 35 HB1 ALA 35 9.546 -0.930 -6.359 285 HB2 ALA 35 HB2 ALA 35 9.379 -2.212 -5.162 286 HB3 ALA 35 HB3 ALA 35 10.563 -2.367 -6.455 287 H LEU 36 H LEU 36 9.292 0.677 -5.370 288 HA LEU 36 HA LEU 36 9.387 1.992 -2.794 289 HB2 LEU 36 HB2 LEU 36 9.162 3.230 -4.945 290 HB3 LEU 36 HB3 LEU 36 7.630 2.430 -5.212 291 HG LEU 36 HG LEU 36 6.774 3.525 -3.146 292 HD11 LEU 36 HD11 LEU 36 8.008 5.460 -2.291 293 HD12 LEU 36 HD12 LEU 36 9.382 5.020 -3.307 294 HD13 LEU 36 HD13 LEU 36 8.851 3.941 -2.015 295 HD21 LEU 36 HD21 LEU 36 6.288 4.403 -5.342 296 HD22 LEU 36 HD22 LEU 36 7.794 5.332 -5.323 297 HD23 LEU 36 HD23 LEU 36 6.502 5.713 -4.178 298 H GLN 37 H GLN 37 8.138 1.183 -1.146 299 HA GLN 37 HA GLN 37 5.920 -0.552 -1.911 300 HB2 GLN 37 HB2 GLN 37 7.353 -0.267 0.727 301 HB3 GLN 37 HB3 GLN 37 5.728 -0.901 0.688 302 HG2 GLN 37 HG2 GLN 37 7.068 -2.809 0.755 303 HG3 GLN 37 HG3 GLN 37 6.660 -2.655 -0.935 304 HE21 GLN 37 HE21 GLN 37 8.612 -0.585 -1.334 305 HE22 GLN 37 HE22 GLN 37 10.144 -1.361 -1.315 306 H ILE 38 H ILE 38 3.955 0.110 -1.882 307 HA ILE 38 HA ILE 38 3.339 2.528 -0.370 308 HB ILE 38 HB ILE 38 1.865 1.120 -2.589 309 HG12 ILE 38 HG12 ILE 38 3.369 3.738 -2.662 310 HG13 ILE 38 HG13 ILE 38 3.908 2.216 -3.363 311 HG21 ILE 38 HG21 ILE 38 0.290 2.258 -1.099 312 HG22 ILE 38 HG22 ILE 38 0.379 3.137 -2.625 313 HG23 ILE 38 HG23 ILE 38 1.217 3.752 -1.203 314 HD11 ILE 38 HD11 ILE 38 1.478 3.781 -4.183 315 HD12 ILE 38 HD12 ILE 38 2.023 2.253 -4.897 316 HD13 ILE 38 HD13 ILE 38 3.019 3.715 -5.031 317 H VAL 39 H VAL 39 1.898 2.333 1.277 318 HA VAL 39 HA VAL 39 0.702 -0.324 1.711 319 HB VAL 39 HB VAL 39 1.654 1.599 3.848 320 HG11 VAL 39 HG11 VAL 39 0.616 -1.219 4.086 321 HG12 VAL 39 HG12 VAL 39 -0.228 0.242 4.583 322 HG13 VAL 39 HG13 VAL 39 1.242 -0.248 5.413 323 HG21 VAL 39 HG21 VAL 39 3.577 0.635 2.702 324 HG22 VAL 39 HG22 VAL 39 2.926 -0.989 2.943 325 HG23 VAL 39 HG23 VAL 39 3.439 -0.028 4.330 326 H ALA 40 H ALA 40 -1.417 -0.286 1.958 327 HA ALA 40 HA ALA 40 -2.790 2.223 2.672 328 HB1 ALA 40 HB1 ALA 40 -2.774 2.106 0.249 329 HB2 ALA 40 HB2 ALA 40 -4.399 1.829 0.900 330 HB3 ALA 40 HB3 ALA 40 -3.428 0.473 0.335 331 H ARG 41 H ARG 41 -4.672 1.928 3.662 332 HA ARG 41 HA ARG 41 -5.255 -0.857 4.329 333 HB2 ARG 41 HB2 ARG 41 -4.726 0.863 6.322 334 HB3 ARG 41 HB3 ARG 41 -6.257 1.496 5.892 335 HG2 ARG 41 HG2 ARG 41 -7.490 -0.297 6.549 336 HG3 ARG 41 HG3 ARG 41 -6.138 -1.411 6.380 337 HD2 ARG 41 HD2 ARG 41 -6.674 -1.126 8.703 338 HD3 ARG 41 HD3 ARG 41 -5.098 -0.437 8.351 339 HE ARG 41 HE ARG 41 -6.559 1.756 8.272 340 HH11 ARG 41 HH11 ARG 41 -6.781 -0.962 10.524 341 HH12 ARG 41 HH12 ARG 41 -7.298 -0.005 11.841 342 HH21 ARG 41 HH21 ARG 41 -7.242 3.080 10.149 343 HH22 ARG 41 HH22 ARG 41 -7.536 2.286 11.621 344 H LEU 42 H LEU 42 -7.314 -1.557 4.144 345 HA LEU 42 HA LEU 42 -8.893 -0.112 2.183 346 HB2 LEU 42 HB2 LEU 42 -9.329 -2.810 3.467 347 HB3 LEU 42 HB3 LEU 42 -10.163 -2.227 2.072 348 HG LEU 42 HG LEU 42 -7.238 -2.907 2.248 349 HD11 LEU 42 HD11 LEU 42 -7.770 -4.689 0.684 350 HD12 LEU 42 HD12 LEU 42 -9.476 -4.246 0.769 351 HD13 LEU 42 HD13 LEU 42 -8.647 -4.864 2.200 352 HD21 LEU 42 HD21 LEU 42 -7.146 -2.509 -0.162 353 HD22 LEU 42 HD22 LEU 42 -7.530 -1.042 0.744 354 HD23 LEU 42 HD23 LEU 42 -8.809 -1.913 -0.112 355 H LYS 43 H LYS 43 -11.095 0.504 2.576 356 HA LYS 43 HA LYS 43 -11.670 1.119 5.308 357 HB2 LYS 43 HB2 LYS 43 -13.227 1.589 2.775 358 HB3 LYS 43 HB3 LYS 43 -13.692 2.171 4.367 359 HG2 LYS 43 HG2 LYS 43 -11.634 3.490 4.476 360 HG3 LYS 43 HG3 LYS 43 -11.190 2.917 2.869 361 HD2 LYS 43 HD2 LYS 43 -12.191 5.162 2.816 362 HD3 LYS 43 HD3 LYS 43 -13.165 3.990 1.925 363 HE2 LYS 43 HE2 LYS 43 -14.687 3.787 3.763 364 HE3 LYS 43 HE3 LYS 43 -13.651 4.802 4.767 365 HZ1 LYS 43 HZ1 LYS 43 -15.580 6.013 3.874 366 HZ2 LYS 43 HZ2 LYS 43 -15.103 5.660 2.305 367 HZ3 LYS 43 HZ3 LYS 43 -14.160 6.661 3.269 368 H ASN 44 H ASN 44 -13.125 -0.882 2.750 369 HA ASN 44 HA ASN 44 -15.320 -1.674 4.433 370 HB2 ASN 44 HB2 ASN 44 -15.562 -1.484 1.988 371 HB3 ASN 44 HB3 ASN 44 -14.422 -2.799 1.785 372 HD21 ASN 44 HD21 ASN 44 -17.631 -1.921 2.716 373 HD22 ASN 44 HD22 ASN 44 -18.289 -3.519 2.721 374 H ASN 45 H ASN 45 -12.357 -3.240 3.338 375 HA ASN 45 HA ASN 45 -13.020 -5.559 4.989 376 HB2 ASN 45 HB2 ASN 45 -12.200 -6.018 2.717 377 HB3 ASN 45 HB3 ASN 45 -10.716 -5.145 3.059 378 HD21 ASN 45 HD21 ASN 45 -9.577 -6.985 2.443 379 HD22 ASN 45 HD22 ASN 45 -9.403 -8.362 3.458 380 H ASN 46 H ASN 46 -11.045 -2.783 4.999 381 HA ASN 46 HA ASN 46 -9.689 -1.779 6.547 382 HB2 ASN 46 HB2 ASN 46 -11.676 -2.390 8.042 383 HB3 ASN 46 HB3 ASN 46 -10.781 -3.817 8.529 384 HD21 ASN 46 HD21 ASN 46 -9.117 -3.577 10.034 385 HD22 ASN 46 HD22 ASN 46 -8.829 -2.092 10.871 386 H ARG 47 H ARG 47 -8.936 -4.717 5.273 387 HA ARG 47 HA ARG 47 -6.667 -5.329 6.713 388 HB2 ARG 47 HB2 ARG 47 -7.892 -5.964 4.187 389 HB3 ARG 47 HB3 ARG 47 -6.142 -5.923 4.128 390 HG2 ARG 47 HG2 ARG 47 -6.906 -8.092 4.539 391 HG3 ARG 47 HG3 ARG 47 -6.054 -7.452 5.957 392 HD2 ARG 47 HD2 ARG 47 -9.067 -7.674 5.668 393 HD3 ARG 47 HD3 ARG 47 -7.924 -8.804 6.399 394 HE ARG 47 HE ARG 47 -7.471 -6.542 7.783 395 HH11 ARG 47 HH11 ARG 47 -10.399 -8.368 7.042 396 HH12 ARG 47 HH12 ARG 47 -11.168 -8.069 8.524 397 HH21 ARG 47 HH21 ARG 47 -8.532 -6.126 9.870 398 HH22 ARG 47 HH22 ARG 47 -10.083 -6.764 10.156 399 H GLN 48 H GLN 48 -4.598 -4.880 6.212 400 HA GLN 48 HA GLN 48 -4.266 -2.456 4.671 401 HB2 GLN 48 HB2 GLN 48 -3.667 -2.208 7.044 402 HB3 GLN 48 HB3 GLN 48 -2.491 -3.524 6.875 403 HG2 GLN 48 HG2 GLN 48 -1.262 -2.246 5.376 404 HG3 GLN 48 HG3 GLN 48 -2.607 -1.087 5.319 405 HE21 GLN 48 HE21 GLN 48 0.043 -2.298 7.272 406 HE22 GLN 48 HE22 GLN 48 0.083 -0.955 8.365 407 H VAL 49 H VAL 49 -3.337 -2.663 2.833 408 HA VAL 49 HA VAL 49 -1.772 -5.081 2.304 409 HB VAL 49 HB VAL 49 -2.673 -5.033 -0.009 410 HG11 VAL 49 HG11 VAL 49 -4.912 -5.920 0.528 411 HG12 VAL 49 HG12 VAL 49 -4.771 -5.253 2.154 412 HG13 VAL 49 HG13 VAL 49 -3.678 -6.533 1.629 413 HG21 VAL 49 HG21 VAL 49 -3.304 -2.677 -0.142 414 HG22 VAL 49 HG22 VAL 49 -4.551 -2.927 1.079 415 HG23 VAL 49 HG23 VAL 49 -4.700 -3.698 -0.496 416 H CYS 50 H CYS 50 -0.445 -4.799 0.291 417 HA CYS 50 HA CYS 50 0.821 -2.179 0.387 418 HB2 CYS 50 HB2 CYS 50 1.867 -4.662 -1.006 419 HB3 CYS 50 HB3 CYS 50 2.717 -3.214 -0.555 420 H ILE 51 H ILE 51 1.067 -1.044 -1.502 421 HA ILE 51 HA ILE 51 -0.598 -1.953 -3.729 422 HB ILE 51 HB ILE 51 -0.043 0.878 -2.812 423 HG12 ILE 51 HG12 ILE 51 -2.482 -0.865 -2.744 424 HG13 ILE 51 HG13 ILE 51 -1.627 -0.153 -1.406 425 HG21 ILE 51 HG21 ILE 51 -0.117 0.812 -5.221 426 HG22 ILE 51 HG22 ILE 51 -1.566 1.592 -4.578 427 HG23 ILE 51 HG23 ILE 51 -1.636 -0.076 -5.153 428 HD11 ILE 51 HD11 ILE 51 -2.257 2.096 -2.092 429 HD12 ILE 51 HD12 ILE 51 -3.680 1.093 -1.817 430 HD13 ILE 51 HD13 ILE 51 -3.147 1.436 -3.462 431 H ASP 52 H ASP 52 0.176 -1.840 -5.734 432 HA ASP 52 HA ASP 52 3.004 -1.779 -6.070 433 HB2 ASP 52 HB2 ASP 52 1.506 -3.312 -7.174 434 HB3 ASP 52 HB3 ASP 52 0.753 -2.005 -8.070 435 HA PRO 53 HA PRO 53 3.090 2.617 -6.851 436 HB2 PRO 53 HB2 PRO 53 5.660 2.817 -7.626 437 HB3 PRO 53 HB3 PRO 53 5.203 2.504 -5.944 438 HG2 PRO 53 HG2 PRO 53 6.069 0.554 -8.052 439 HG3 PRO 53 HG3 PRO 53 6.615 0.687 -6.370 440 HD2 PRO 53 HD2 PRO 53 4.777 -1.119 -7.135 441 HD3 PRO 53 HD3 PRO 53 4.718 -0.337 -5.540 442 H LYS 54 H LYS 54 2.694 0.423 -9.154 443 HA LYS 54 HA LYS 54 3.170 2.354 -11.285 444 HB2 LYS 54 HB2 LYS 54 3.314 -0.642 -11.381 445 HB3 LYS 54 HB3 LYS 54 3.332 0.374 -12.819 446 HG2 LYS 54 HG2 LYS 54 5.396 1.397 -12.182 447 HG3 LYS 54 HG3 LYS 54 5.333 0.667 -10.586 448 HD2 LYS 54 HD2 LYS 54 5.581 -0.892 -13.161 449 HD3 LYS 54 HD3 LYS 54 6.945 -0.435 -12.136 450 HE2 LYS 54 HE2 LYS 54 5.931 -1.663 -10.264 451 HE3 LYS 54 HE3 LYS 54 4.601 -2.138 -11.306 452 HZ1 LYS 54 HZ1 LYS 54 7.448 -2.895 -11.698 453 HZ2 LYS 54 HZ2 LYS 54 6.158 -3.345 -12.691 454 HZ3 LYS 54 HZ3 LYS 54 6.211 -3.884 -11.106 455 H LEU 55 H LEU 55 0.670 1.306 -9.455 456 HA LEU 55 HA LEU 55 -1.330 0.733 -11.332 457 HB2 LEU 55 HB2 LEU 55 -1.309 2.006 -8.648 458 HB3 LEU 55 HB3 LEU 55 -2.798 1.873 -9.519 459 HG LEU 55 HG LEU 55 -1.057 -0.405 -8.529 460 HD11 LEU 55 HD11 LEU 55 -3.800 0.544 -7.719 461 HD12 LEU 55 HD12 LEU 55 -2.321 0.840 -6.807 462 HD13 LEU 55 HD13 LEU 55 -2.913 -0.813 -7.016 463 HD21 LEU 55 HD21 LEU 55 -2.920 -1.817 -9.196 464 HD22 LEU 55 HD22 LEU 55 -2.210 -1.012 -10.612 465 HD23 LEU 55 HD23 LEU 55 -3.720 -0.422 -9.894 466 H LYS 56 H LYS 56 -2.891 2.125 -12.272 467 HA LYS 56 HA LYS 56 -1.704 4.427 -13.390 468 HB2 LYS 56 HB2 LYS 56 -3.333 3.107 -14.650 469 HB3 LYS 56 HB3 LYS 56 -4.606 3.593 -13.544 470 HG2 LYS 56 HG2 LYS 56 -4.272 5.933 -14.202 471 HG3 LYS 56 HG3 LYS 56 -3.049 5.413 -15.359 472 HD2 LYS 56 HD2 LYS 56 -4.744 4.053 -16.506 473 HD3 LYS 56 HD3 LYS 56 -5.944 4.617 -15.340 474 HE2 LYS 56 HE2 LYS 56 -5.547 6.924 -16.051 475 HE3 LYS 56 HE3 LYS 56 -4.380 6.354 -17.235 476 HZ1 LYS 56 HZ1 LYS 56 -7.252 5.610 -17.204 477 HZ2 LYS 56 HZ2 LYS 56 -6.122 5.155 -18.357 478 HZ3 LYS 56 HZ3 LYS 56 -6.571 6.770 -18.223 479 H TRP 57 H TRP 57 -4.388 4.174 -11.008 480 HA TRP 57 HA TRP 57 -4.548 7.008 -10.831 481 HB2 TRP 57 HB2 TRP 57 -6.024 6.752 -8.902 482 HB3 TRP 57 HB3 TRP 57 -6.469 5.583 -10.124 483 HD1 TRP 57 HD1 TRP 57 -6.026 2.950 -9.483 484 HE1 TRP 57 HE1 TRP 57 -5.813 1.811 -7.232 485 HE3 TRP 57 HE3 TRP 57 -5.144 7.062 -6.579 486 HZ2 TRP 57 HZ2 TRP 57 -5.343 2.491 -4.603 487 HZ3 TRP 57 HZ3 TRP 57 -4.837 6.728 -4.163 488 HH2 TRP 57 HH2 TRP 57 -4.938 4.531 -3.179 489 H ILE 58 H ILE 58 -2.592 4.671 -9.369 490 HA ILE 58 HA ILE 58 -1.484 6.285 -7.326 491 HB ILE 58 HB ILE 58 -0.504 3.808 -8.722 492 HG12 ILE 58 HG12 ILE 58 -2.355 3.453 -7.203 493 HG13 ILE 58 HG13 ILE 58 -0.894 2.725 -6.559 494 HG21 ILE 58 HG21 ILE 58 1.272 3.593 -7.083 495 HG22 ILE 58 HG22 ILE 58 0.944 5.226 -6.499 496 HG23 ILE 58 HG23 ILE 58 1.495 4.979 -8.157 497 HD11 ILE 58 HD11 ILE 58 -0.619 4.632 -5.034 498 HD12 ILE 58 HD12 ILE 58 -2.152 3.799 -4.800 499 HD13 ILE 58 HD13 ILE 58 -2.116 5.335 -5.657 500 H GLN 59 H GLN 59 -0.693 5.757 -10.727 501 HA GLN 59 HA GLN 59 1.728 7.185 -10.738 502 HB2 GLN 59 HB2 GLN 59 -0.294 7.058 -12.977 503 HB3 GLN 59 HB3 GLN 59 1.384 7.564 -13.111 504 HG2 GLN 59 HG2 GLN 59 0.357 4.802 -12.501 505 HG3 GLN 59 HG3 GLN 59 1.177 5.336 -13.968 506 HE21 GLN 59 HE21 GLN 59 1.487 4.483 -10.699 507 HE22 GLN 59 HE22 GLN 59 3.205 4.320 -10.628 508 H GLU 60 H GLU 60 -1.583 8.177 -11.356 509 HA GLU 60 HA GLU 60 -1.070 10.903 -11.749 510 HB2 GLU 60 HB2 GLU 60 -3.551 9.648 -10.566 511 HB3 GLU 60 HB3 GLU 60 -3.438 11.252 -11.272 512 HG2 GLU 60 HG2 GLU 60 -2.879 10.212 -13.448 513 HG3 GLU 60 HG3 GLU 60 -3.126 8.626 -12.717 514 H TYR 61 H TYR 61 -1.663 9.025 -8.831 515 HA TYR 61 HA TYR 61 -1.825 11.108 -6.969 516 HB2 TYR 61 HB2 TYR 61 -2.410 8.710 -6.530 517 HB3 TYR 61 HB3 TYR 61 -0.702 8.321 -6.551 518 HD1 TYR 61 HD1 TYR 61 -3.326 10.165 -4.720 519 HD2 TYR 61 HD2 TYR 61 0.636 8.608 -4.555 520 HE1 TYR 61 HE1 TYR 61 -3.256 10.590 -2.300 521 HE2 TYR 61 HE2 TYR 61 0.708 9.031 -2.143 522 HH TYR 61 HH TYR 61 -2.061 9.725 -0.343 523 H LEU 62 H LEU 62 1.020 9.161 -7.949 524 HA LEU 62 HA LEU 62 2.845 10.712 -6.436 525 HB2 LEU 62 HB2 LEU 62 3.253 8.728 -8.649 526 HB3 LEU 62 HB3 LEU 62 4.595 9.661 -8.036 527 HG LEU 62 HG LEU 62 4.171 8.664 -5.760 528 HD11 LEU 62 HD11 LEU 62 2.258 6.892 -7.177 529 HD12 LEU 62 HD12 LEU 62 1.850 8.136 -5.999 530 HD13 LEU 62 HD13 LEU 62 2.808 6.736 -5.508 531 HD21 LEU 62 HD21 LEU 62 5.859 7.796 -7.221 532 HD22 LEU 62 HD22 LEU 62 4.674 6.732 -7.992 533 HD23 LEU 62 HD23 LEU 62 5.104 6.498 -6.289 534 H GLU 63 H GLU 63 1.728 10.926 -9.742 535 HA GLU 63 HA GLU 63 3.538 12.857 -10.626 536 HB2 GLU 63 HB2 GLU 63 0.742 12.240 -11.505 537 HB3 GLU 63 HB3 GLU 63 1.712 13.491 -12.260 538 HG2 GLU 63 HG2 GLU 63 2.399 10.574 -12.092 539 HG3 GLU 63 HG3 GLU 63 1.811 11.430 -13.520 540 H LYS 64 H LYS 64 0.315 13.280 -9.197 541 HA LYS 64 HA LYS 64 0.539 16.085 -9.396 542 HB2 LYS 64 HB2 LYS 64 -1.512 16.238 -8.167 543 HB3 LYS 64 HB3 LYS 64 -1.614 14.967 -9.360 544 HG2 LYS 64 HG2 LYS 64 -1.270 13.306 -7.626 545 HG3 LYS 64 HG3 LYS 64 -1.183 14.598 -6.420 546 HD2 LYS 64 HD2 LYS 64 -3.401 15.345 -7.097 547 HD3 LYS 64 HD3 LYS 64 -3.477 13.995 -8.233 548 HE2 LYS 64 HE2 LYS 64 -4.666 13.416 -6.221 549 HE3 LYS 64 HE3 LYS 64 -3.192 12.449 -6.395 550 HZ1 LYS 64 HZ1 LYS 64 -3.455 14.845 -4.672 551 HZ2 LYS 64 HZ2 LYS 64 -2.095 13.864 -4.767 552 HZ3 LYS 64 HZ3 LYS 64 -3.533 13.283 -4.100 553 H ALA 65 H ALA 65 1.323 13.775 -6.891 554 HA ALA 65 HA ALA 65 1.720 15.613 -4.807 555 HB1 ALA 65 HB1 ALA 65 3.054 13.870 -3.740 556 HB2 ALA 65 HB2 ALA 65 3.144 12.991 -5.267 557 HB3 ALA 65 HB3 ALA 65 1.593 13.179 -4.451 558 H LEU 66 H LEU 66 3.904 14.422 -7.354 559 HA LEU 66 HA LEU 66 6.159 15.814 -6.358 560 HB2 LEU 66 HB2 LEU 66 6.304 13.740 -7.638 561 HB3 LEU 66 HB3 LEU 66 5.581 14.532 -9.017 562 HG LEU 66 HG LEU 66 7.484 16.008 -9.155 563 HD11 LEU 66 HD11 LEU 66 9.570 15.438 -7.907 564 HD12 LEU 66 HD12 LEU 66 8.655 14.245 -6.987 565 HD13 LEU 66 HD13 LEU 66 8.266 15.959 -6.842 566 HD21 LEU 66 HD21 LEU 66 8.137 13.067 -9.248 567 HD22 LEU 66 HD22 LEU 66 9.082 14.327 -10.034 568 HD23 LEU 66 HD23 LEU 66 7.419 14.029 -10.538 569 H ASN 67 H ASN 67 3.609 16.445 -8.668 570 HA ASN 67 HA ASN 67 4.878 18.641 -9.960 571 HB2 ASN 67 HB2 ASN 67 3.163 17.329 -11.102 572 HB3 ASN 67 HB3 ASN 67 1.964 17.832 -9.918 573 HD21 ASN 67 HD21 ASN 67 0.647 18.744 -11.464 574 HD22 ASN 67 HD22 ASN 67 1.030 20.207 -12.289 575 H LYS 68 H LYS 68 2.178 18.479 -7.588 576 HA LYS 68 HA LYS 68 2.994 21.044 -6.592 577 HB2 LYS 68 HB2 LYS 68 1.504 21.649 -8.437 578 HB3 LYS 68 HB3 LYS 68 0.250 20.606 -7.782 579 HG2 LYS 68 HG2 LYS 68 0.113 22.009 -5.799 580 HG3 LYS 68 HG3 LYS 68 1.379 23.055 -6.447 581 HD2 LYS 68 HD2 LYS 68 -0.038 23.632 -8.328 582 HD3 LYS 68 HD3 LYS 68 -1.286 22.527 -7.750 583 HE2 LYS 68 HE2 LYS 68 -0.268 24.970 -6.296 584 HE3 LYS 68 HE3 LYS 68 -1.797 24.855 -7.161 585 HZ1 LYS 68 HZ1 LYS 68 -1.036 23.294 -4.736 586 HZ2 LYS 68 HZ2 LYS 68 -2.476 23.109 -5.606 587 HZ3 LYS 68 HZ3 LYS 68 -2.161 24.551 -4.827 Start of MODEL 15 1 H LYS 1 H LYS 1 1.722 -25.469 9.035 2 HA LYS 1 HA LYS 1 2.373 -23.855 10.731 3 HB2 LYS 1 HB2 LYS 1 3.742 -23.331 8.069 4 HB3 LYS 1 HB3 LYS 1 4.404 -23.004 9.661 5 HG2 LYS 1 HG2 LYS 1 4.482 -25.392 10.149 6 HG3 LYS 1 HG3 LYS 1 3.733 -25.742 8.594 7 HD2 LYS 1 HD2 LYS 1 6.135 -26.116 8.465 8 HD3 LYS 1 HD3 LYS 1 5.662 -24.758 7.445 9 HE2 LYS 1 HE2 LYS 1 6.410 -23.203 9.215 10 HE3 LYS 1 HE3 LYS 1 6.897 -24.582 10.194 11 HZ1 LYS 1 HZ1 LYS 1 8.525 -25.158 8.487 12 HZ2 LYS 1 HZ2 LYS 1 8.778 -23.597 9.037 13 HZ3 LYS 1 HZ3 LYS 1 8.045 -23.842 7.550 14 HA PRO 2 HA PRO 2 0.396 -19.816 10.178 15 HB2 PRO 2 HB2 PRO 2 2.357 -18.908 12.209 16 HB3 PRO 2 HB3 PRO 2 0.593 -18.839 12.260 17 HG2 PRO 2 HG2 PRO 2 1.952 -20.573 13.775 18 HG3 PRO 2 HG3 PRO 2 0.396 -21.006 13.047 19 HD2 PRO 2 HD2 PRO 2 3.160 -21.772 12.190 20 HD3 PRO 2 HD3 PRO 2 1.666 -22.736 12.224 21 H VAL 3 H VAL 3 3.832 -19.590 11.029 22 HA VAL 3 HA VAL 3 5.535 -18.423 10.333 23 HB VAL 3 HB VAL 3 6.366 -18.847 8.046 24 HG11 VAL 3 HG11 VAL 3 6.540 -21.271 8.307 25 HG12 VAL 3 HG12 VAL 3 5.292 -21.194 9.561 26 HG13 VAL 3 HG13 VAL 3 6.838 -20.385 9.801 27 HG21 VAL 3 HG21 VAL 3 5.131 -20.388 6.580 28 HG22 VAL 3 HG22 VAL 3 4.270 -18.862 6.791 29 HG23 VAL 3 HG23 VAL 3 3.740 -20.302 7.664 30 H SER 4 H SER 4 6.035 -16.480 10.338 31 HA SER 4 HA SER 4 4.624 -14.577 8.680 32 HB2 SER 4 HB2 SER 4 5.213 -14.023 11.060 33 HB3 SER 4 HB3 SER 4 6.918 -14.181 10.644 34 HG SER 4 HG SER 4 6.667 -12.116 10.335 35 H LEU 5 H LEU 5 5.269 -14.689 6.608 36 HA LEU 5 HA LEU 5 7.793 -15.669 5.840 37 HB2 LEU 5 HB2 LEU 5 5.716 -14.185 4.222 38 HB3 LEU 5 HB3 LEU 5 7.191 -14.813 3.534 39 HG LEU 5 HG LEU 5 5.440 -16.306 2.971 40 HD11 LEU 5 HD11 LEU 5 6.149 -18.415 3.932 41 HD12 LEU 5 HD12 LEU 5 7.054 -17.548 5.168 42 HD13 LEU 5 HD13 LEU 5 7.504 -17.390 3.470 43 HD21 LEU 5 HD21 LEU 5 4.742 -16.480 5.902 44 HD22 LEU 5 HD22 LEU 5 4.030 -17.470 4.628 45 HD23 LEU 5 HD23 LEU 5 3.771 -15.728 4.636 46 H SER 6 H SER 6 9.622 -14.743 5.954 47 HA SER 6 HA SER 6 9.767 -11.899 6.381 48 HB2 SER 6 HB2 SER 6 11.889 -14.041 6.465 49 HB3 SER 6 HB3 SER 6 12.097 -12.363 6.972 50 HG SER 6 HG SER 6 10.297 -14.256 8.045 51 H TYR 7 H TYR 7 10.881 -10.506 5.061 52 HA TYR 7 HA TYR 7 11.740 -11.536 2.425 53 HB2 TYR 7 HB2 TYR 7 10.326 -8.899 2.863 54 HB3 TYR 7 HB3 TYR 7 10.676 -9.682 1.338 55 HD1 TYR 7 HD1 TYR 7 9.372 -11.871 0.831 56 HD2 TYR 7 HD2 TYR 7 8.298 -9.137 3.902 57 HE1 TYR 7 HE1 TYR 7 7.086 -12.783 0.853 58 HE2 TYR 7 HE2 TYR 7 6.027 -10.036 3.931 59 HH TYR 7 HH TYR 7 5.204 -12.931 2.318 60 H ARG 8 H ARG 8 12.965 -9.548 1.361 61 HA ARG 8 HA ARG 8 14.667 -8.333 3.429 62 HB2 ARG 8 HB2 ARG 8 16.132 -7.653 1.647 63 HB3 ARG 8 HB3 ARG 8 15.780 -9.375 1.473 64 HG2 ARG 8 HG2 ARG 8 14.245 -8.898 -0.337 65 HG3 ARG 8 HG3 ARG 8 14.458 -7.165 -0.091 66 HD2 ARG 8 HD2 ARG 8 16.599 -9.115 -0.957 67 HD3 ARG 8 HD3 ARG 8 15.781 -7.950 -1.997 68 HE ARG 8 HE ARG 8 17.086 -6.808 0.300 69 HH11 ARG 8 HH11 ARG 8 17.523 -7.685 -3.107 70 HH12 ARG 8 HH12 ARG 8 18.847 -6.620 -3.317 71 HH21 ARG 8 HH21 ARG 8 18.886 -5.438 -0.007 72 HH22 ARG 8 HH22 ARG 8 19.635 -5.340 -1.554 73 H CYS 9 H CYS 9 11.946 -7.809 2.007 74 HA CYS 9 HA CYS 9 12.156 -4.865 1.921 75 HB2 CYS 9 HB2 CYS 9 10.285 -6.590 0.296 76 HB3 CYS 9 HB3 CYS 9 10.474 -4.856 0.213 77 HA PRO 10 HA PRO 10 8.713 -4.912 4.864 78 HB2 PRO 10 HB2 PRO 10 7.656 -2.645 3.206 79 HB3 PRO 10 HB3 PRO 10 7.975 -2.705 4.946 80 HG2 PRO 10 HG2 PRO 10 9.603 -1.378 3.323 81 HG3 PRO 10 HG3 PRO 10 10.256 -2.341 4.662 82 HD2 PRO 10 HD2 PRO 10 10.123 -2.975 1.739 83 HD3 PRO 10 HD3 PRO 10 11.444 -3.243 2.894 84 H CYS 11 H CYS 11 7.989 -4.381 1.434 85 HA CYS 11 HA CYS 11 5.947 -6.478 1.557 86 HB2 CYS 11 HB2 CYS 11 5.760 -3.851 0.093 87 HB3 CYS 11 HB3 CYS 11 4.701 -5.212 -0.236 88 H ARG 12 H ARG 12 5.867 -7.760 -0.284 89 HA ARG 12 HA ARG 12 8.014 -7.273 -2.229 90 HB2 ARG 12 HB2 ARG 12 8.432 -9.191 -0.653 91 HB3 ARG 12 HB3 ARG 12 6.996 -9.963 -1.296 92 HG2 ARG 12 HG2 ARG 12 8.012 -10.060 -3.503 93 HG3 ARG 12 HG3 ARG 12 9.452 -9.251 -2.882 94 HD2 ARG 12 HD2 ARG 12 9.699 -11.126 -1.252 95 HD3 ARG 12 HD3 ARG 12 8.385 -11.951 -2.086 96 HE ARG 12 HE ARG 12 10.271 -11.254 -3.986 97 HH11 ARG 12 HH11 ARG 12 9.945 -13.455 -1.239 98 HH12 ARG 12 HH12 ARG 12 11.192 -14.491 -1.732 99 HH21 ARG 12 HH21 ARG 12 12.005 -12.714 -4.679 100 HH22 ARG 12 HH22 ARG 12 12.378 -14.067 -3.708 101 H PHE 13 H PHE 13 4.892 -8.842 -1.617 102 HA PHE 13 HA PHE 13 4.211 -8.552 -4.426 103 HB2 PHE 13 HB2 PHE 13 2.327 -10.032 -3.948 104 HB3 PHE 13 HB3 PHE 13 3.794 -10.758 -3.329 105 HD1 PHE 13 HD1 PHE 13 4.245 -10.504 -0.790 106 HD2 PHE 13 HD2 PHE 13 0.457 -9.756 -2.581 107 HE1 PHE 13 HE1 PHE 13 3.167 -10.785 1.384 108 HE2 PHE 13 HE2 PHE 13 -0.631 -10.032 -0.396 109 HZ PHE 13 HZ PHE 13 0.727 -10.551 1.595 110 H PHE 14 H PHE 14 2.250 -7.454 -4.984 111 HA PHE 14 HA PHE 14 1.276 -5.462 -2.980 112 HB2 PHE 14 HB2 PHE 14 1.775 -4.966 -5.870 113 HB3 PHE 14 HB3 PHE 14 1.368 -3.784 -4.641 114 HD1 PHE 14 HD1 PHE 14 3.169 -3.517 -2.744 115 HD2 PHE 14 HD2 PHE 14 3.933 -5.193 -6.571 116 HE1 PHE 14 HE1 PHE 14 5.561 -3.037 -2.479 117 HE2 PHE 14 HE2 PHE 14 6.314 -4.721 -6.322 118 HZ PHE 14 HZ PHE 14 7.145 -3.634 -4.264 119 H GLU 15 H GLU 15 -0.851 -4.847 -3.229 120 HA GLU 15 HA GLU 15 -2.498 -6.699 -4.633 121 HB2 GLU 15 HB2 GLU 15 -2.638 -5.309 -2.328 122 HB3 GLU 15 HB3 GLU 15 -3.449 -4.182 -3.402 123 HG2 GLU 15 HG2 GLU 15 -4.211 -6.996 -2.757 124 HG3 GLU 15 HG3 GLU 15 -5.009 -5.474 -2.335 125 H SER 16 H SER 16 -3.709 -6.033 -6.494 126 HA SER 16 HA SER 16 -2.941 -3.441 -7.642 127 HB2 SER 16 HB2 SER 16 -2.952 -6.087 -9.097 128 HB3 SER 16 HB3 SER 16 -2.554 -4.516 -9.808 129 HG SER 16 HG SER 16 -1.141 -4.755 -7.640 130 H HIS 17 H HIS 17 -5.489 -4.776 -6.402 131 HA HIS 17 HA HIS 17 -7.319 -4.088 -8.595 132 HB2 HIS 17 HB2 HIS 17 -7.413 -6.473 -7.881 133 HB3 HIS 17 HB3 HIS 17 -7.642 -5.970 -6.215 134 HD1 HIS 17 HD1 HIS 17 -9.456 -6.099 -9.540 135 HD2 HIS 17 HD2 HIS 17 -10.281 -5.511 -5.511 136 HE1 HIS 17 HE1 HIS 17 -11.944 -6.186 -9.333 137 HE2 HIS 17 HE2 HIS 17 -12.422 -5.630 -6.959 138 H VAL 18 H VAL 18 -5.825 -2.568 -6.526 139 HA VAL 18 HA VAL 18 -7.658 -1.772 -4.510 140 HB VAL 18 HB VAL 18 -5.129 -0.360 -5.295 141 HG11 VAL 18 HG11 VAL 18 -6.683 -0.441 -2.710 142 HG12 VAL 18 HG12 VAL 18 -6.579 0.918 -3.826 143 HG13 VAL 18 HG13 VAL 18 -5.146 0.392 -2.943 144 HG21 VAL 18 HG21 VAL 18 -3.999 -1.709 -3.576 145 HG22 VAL 18 HG22 VAL 18 -4.636 -2.720 -4.870 146 HG23 VAL 18 HG23 VAL 18 -5.475 -2.633 -3.325 147 H ALA 19 H ALA 19 -8.926 -0.015 -4.414 148 HA ALA 19 HA ALA 19 -8.976 1.765 -6.742 149 HB1 ALA 19 HB1 ALA 19 -11.229 1.003 -4.901 150 HB2 ALA 19 HB2 ALA 19 -10.963 0.355 -6.518 151 HB3 ALA 19 HB3 ALA 19 -11.354 2.061 -6.308 152 H ARG 20 H ARG 20 -9.079 3.950 -6.409 153 HA ARG 20 HA ARG 20 -7.868 5.126 -4.170 154 HB2 ARG 20 HB2 ARG 20 -7.783 6.200 -6.285 155 HB3 ARG 20 HB3 ARG 20 -9.519 6.271 -6.419 156 HG2 ARG 20 HG2 ARG 20 -8.678 8.477 -5.955 157 HG3 ARG 20 HG3 ARG 20 -9.569 7.899 -4.555 158 HD2 ARG 20 HD2 ARG 20 -7.399 7.275 -3.510 159 HD3 ARG 20 HD3 ARG 20 -6.574 8.020 -4.883 160 HE ARG 20 HE ARG 20 -8.498 9.689 -3.586 161 HH11 ARG 20 HH11 ARG 20 -5.075 8.865 -3.786 162 HH12 ARG 20 HH12 ARG 20 -4.571 10.179 -2.803 163 HH21 ARG 20 HH21 ARG 20 -7.796 11.475 -2.323 164 HH22 ARG 20 HH22 ARG 20 -6.159 11.710 -1.958 165 H ALA 21 H ALA 21 -11.223 4.526 -4.800 166 HA ALA 21 HA ALA 21 -12.173 6.297 -2.738 167 HB1 ALA 21 HB1 ALA 21 -13.640 4.103 -4.173 168 HB2 ALA 21 HB2 ALA 21 -13.567 5.791 -4.688 169 HB3 ALA 21 HB3 ALA 21 -14.371 5.357 -3.176 170 H ASN 22 H ASN 22 -10.768 3.232 -2.665 171 HA ASN 22 HA ASN 22 -12.224 2.507 -0.206 172 HB2 ASN 22 HB2 ASN 22 -12.269 0.921 -2.140 173 HB3 ASN 22 HB3 ASN 22 -10.535 0.726 -1.936 174 HD21 ASN 22 HD21 ASN 22 -10.671 -1.331 -1.448 175 HD22 ASN 22 HD22 ASN 22 -11.337 -2.024 -0.010 176 H VAL 23 H VAL 23 -9.267 3.907 -1.167 177 HA VAL 23 HA VAL 23 -7.761 2.606 0.851 178 HB VAL 23 HB VAL 23 -6.038 4.235 0.294 179 HG11 VAL 23 HG11 VAL 23 -7.248 2.780 -2.047 180 HG12 VAL 23 HG12 VAL 23 -6.167 2.093 -0.834 181 HG13 VAL 23 HG13 VAL 23 -5.570 3.321 -1.939 182 HG21 VAL 23 HG21 VAL 23 -7.386 6.126 -0.410 183 HG22 VAL 23 HG22 VAL 23 -7.985 5.207 -1.792 184 HG23 VAL 23 HG23 VAL 23 -6.284 5.662 -1.706 185 H LYS 24 H LYS 24 -7.754 2.956 2.770 186 HA LYS 24 HA LYS 24 -9.258 5.068 4.033 187 HB2 LYS 24 HB2 LYS 24 -8.984 2.546 4.637 188 HB3 LYS 24 HB3 LYS 24 -7.462 3.024 5.317 189 HG2 LYS 24 HG2 LYS 24 -10.227 3.799 6.279 190 HG3 LYS 24 HG3 LYS 24 -9.060 2.691 6.995 191 HD2 LYS 24 HD2 LYS 24 -8.961 4.556 8.316 192 HD3 LYS 24 HD3 LYS 24 -7.551 4.723 7.260 193 HE2 LYS 24 HE2 LYS 24 -8.631 6.879 7.501 194 HE3 LYS 24 HE3 LYS 24 -8.894 6.295 5.860 195 HZ1 LYS 24 HZ1 LYS 24 -10.922 7.181 6.735 196 HZ2 LYS 24 HZ2 LYS 24 -10.844 6.186 8.098 197 HZ3 LYS 24 HZ3 LYS 24 -11.107 5.537 6.562 198 H HIS 25 H HIS 25 -5.934 3.803 4.471 199 HA HIS 25 HA HIS 25 -5.086 6.577 4.614 200 HB2 HIS 25 HB2 HIS 25 -3.458 6.160 6.401 201 HB3 HIS 25 HB3 HIS 25 -5.038 5.648 6.972 202 HD1 HIS 25 HD1 HIS 25 -3.103 4.685 8.721 203 HD2 HIS 25 HD2 HIS 25 -3.474 2.802 5.074 204 HE1 HIS 25 HE1 HIS 25 -1.887 2.495 8.970 205 HE2 HIS 25 HE2 HIS 25 -1.968 1.447 6.775 206 H LEU 26 H LEU 26 -3.207 7.127 3.662 207 HA LEU 26 HA LEU 26 -2.096 5.054 1.923 208 HB2 LEU 26 HB2 LEU 26 -2.022 8.072 1.691 209 HB3 LEU 26 HB3 LEU 26 -1.129 7.004 0.643 210 HG LEU 26 HG LEU 26 -3.018 7.778 -0.545 211 HD11 LEU 26 HD11 LEU 26 -4.208 5.742 -1.114 212 HD12 LEU 26 HD12 LEU 26 -3.531 4.954 0.309 213 HD13 LEU 26 HD13 LEU 26 -2.466 5.506 -0.989 214 HD21 LEU 26 HD21 LEU 26 -4.455 8.505 1.287 215 HD22 LEU 26 HD22 LEU 26 -4.761 6.826 1.736 216 HD23 LEU 26 HD23 LEU 26 -5.350 7.451 0.194 217 H LYS 27 H LYS 27 -0.051 4.388 2.224 218 HA LYS 27 HA LYS 27 1.769 6.109 3.686 219 HB2 LYS 27 HB2 LYS 27 0.556 4.507 5.243 220 HB3 LYS 27 HB3 LYS 27 1.255 3.175 4.406 221 HG2 LYS 27 HG2 LYS 27 2.520 3.589 6.377 222 HG3 LYS 27 HG3 LYS 27 3.514 4.047 4.990 223 HD2 LYS 27 HD2 LYS 27 3.641 5.706 6.815 224 HD3 LYS 27 HD3 LYS 27 2.977 6.398 5.339 225 HE2 LYS 27 HE2 LYS 27 0.683 6.133 6.264 226 HE3 LYS 27 HE3 LYS 27 1.364 5.428 7.708 227 HZ1 LYS 27 HZ1 LYS 27 2.495 7.498 8.179 228 HZ2 LYS 27 HZ2 LYS 27 0.850 7.780 8.009 229 HZ3 LYS 27 HZ3 LYS 27 1.909 8.191 6.769 230 H ILE 28 H ILE 28 3.682 6.090 2.490 231 HA ILE 28 HA ILE 28 4.119 3.720 0.827 232 HB ILE 28 HB ILE 28 4.724 6.581 0.001 233 HG12 ILE 28 HG12 ILE 28 2.711 4.593 -1.040 234 HG13 ILE 28 HG13 ILE 28 2.329 6.064 -0.154 235 HG21 ILE 28 HG21 ILE 28 6.405 4.975 -0.830 236 HG22 ILE 28 HG22 ILE 28 5.403 5.603 -2.139 237 HG23 ILE 28 HG23 ILE 28 5.100 3.988 -1.500 238 HD11 ILE 28 HD11 ILE 28 3.547 5.867 -2.905 239 HD12 ILE 28 HD12 ILE 28 3.231 7.378 -2.047 240 HD13 ILE 28 HD13 ILE 28 1.893 6.327 -2.523 241 H LEU 29 H LEU 29 6.075 2.799 0.971 242 HA LEU 29 HA LEU 29 8.018 4.260 2.561 243 HB2 LEU 29 HB2 LEU 29 6.991 2.342 3.741 244 HB3 LEU 29 HB3 LEU 29 7.515 1.298 2.440 245 HG LEU 29 HG LEU 29 9.818 1.519 3.066 246 HD11 LEU 29 HD11 LEU 29 10.504 2.903 4.984 247 HD12 LEU 29 HD12 LEU 29 8.850 3.498 5.147 248 HD13 LEU 29 HD13 LEU 29 9.794 3.897 3.713 249 HD21 LEU 29 HD21 LEU 29 9.764 0.575 5.294 250 HD22 LEU 29 HD22 LEU 29 8.442 -0.071 4.321 251 HD23 LEU 29 HD23 LEU 29 8.120 1.176 5.526 252 H ASN 30 H ASN 30 9.915 4.575 1.715 253 HA ASN 30 HA ASN 30 10.537 3.466 -0.928 254 HB2 ASN 30 HB2 ASN 30 11.821 5.773 0.591 255 HB3 ASN 30 HB3 ASN 30 12.228 5.246 -1.032 256 HD21 ASN 30 HD21 ASN 30 9.877 6.862 0.937 257 HD22 ASN 30 HD22 ASN 30 9.005 7.601 -0.352 258 H THR 31 H THR 31 11.884 1.648 -0.868 259 HA THR 31 HA THR 31 13.551 1.382 1.489 260 HB THR 31 HB THR 31 13.261 -0.586 -0.760 261 HG1 THR 31 HG1 THR 31 11.320 0.294 0.994 262 HG21 THR 31 HG21 THR 31 13.545 -2.175 1.020 263 HG22 THR 31 HG22 THR 31 13.644 -0.861 2.192 264 HG23 THR 31 HG23 THR 31 14.919 -1.038 0.968 265 HA PRO 32 HA PRO 32 17.078 2.669 -1.114 266 HB2 PRO 32 HB2 PRO 32 18.686 1.085 0.793 267 HB3 PRO 32 HB3 PRO 32 18.827 2.797 0.423 268 HG2 PRO 32 HG2 PRO 32 17.844 2.029 2.761 269 HG3 PRO 32 HG3 PRO 32 17.078 3.368 1.883 270 HD2 PRO 32 HD2 PRO 32 16.255 0.497 2.037 271 HD3 PRO 32 HD3 PRO 32 15.263 1.953 2.255 272 H ASN 33 H ASN 33 16.429 -0.502 -0.027 273 HA ASN 33 HA ASN 33 18.190 -1.734 -2.051 274 HB2 ASN 33 HB2 ASN 33 17.370 -2.644 0.684 275 HB3 ASN 33 HB3 ASN 33 18.231 -3.651 -0.476 276 HD21 ASN 33 HD21 ASN 33 18.782 -2.059 2.156 277 HD22 ASN 33 HD22 ASN 33 20.362 -1.429 1.849 278 H CYS 34 H CYS 34 15.076 -1.021 -1.747 279 HA CYS 34 HA CYS 34 14.326 -3.414 -3.173 280 HB2 CYS 34 HB2 CYS 34 13.575 -3.614 -0.675 281 HB3 CYS 34 HB3 CYS 34 12.419 -2.362 -1.057 282 H ALA 35 H ALA 35 12.011 -2.988 -3.995 283 HA ALA 35 HA ALA 35 12.128 -0.589 -5.513 284 HB1 ALA 35 HB1 ALA 35 10.030 -1.416 -6.498 285 HB2 ALA 35 HB2 ALA 35 9.964 -2.688 -5.279 286 HB3 ALA 35 HB3 ALA 35 11.263 -2.675 -6.469 287 H LEU 36 H LEU 36 9.726 0.402 -5.667 288 HA LEU 36 HA LEU 36 9.403 1.754 -3.149 289 HB2 LEU 36 HB2 LEU 36 9.457 2.918 -5.351 290 HB3 LEU 36 HB3 LEU 36 8.016 2.065 -5.827 291 HG LEU 36 HG LEU 36 7.684 4.474 -5.244 292 HD11 LEU 36 HD11 LEU 36 5.784 3.009 -5.178 293 HD12 LEU 36 HD12 LEU 36 5.691 4.199 -3.885 294 HD13 LEU 36 HD13 LEU 36 6.166 2.536 -3.521 295 HD21 LEU 36 HD21 LEU 36 7.673 5.118 -2.892 296 HD22 LEU 36 HD22 LEU 36 9.276 4.642 -3.444 297 HD23 LEU 36 HD23 LEU 36 8.314 3.535 -2.462 298 H GLN 37 H GLN 37 8.255 0.569 -1.597 299 HA GLN 37 HA GLN 37 5.845 -0.687 -2.639 300 HB2 GLN 37 HB2 GLN 37 5.629 -2.041 -0.644 301 HB3 GLN 37 HB3 GLN 37 7.191 -2.304 -1.398 302 HG2 GLN 37 HG2 GLN 37 6.691 -0.637 1.093 303 HG3 GLN 37 HG3 GLN 37 7.236 -2.313 1.040 304 HE21 GLN 37 HE21 GLN 37 8.976 -2.004 -1.166 305 HE22 GLN 37 HE22 GLN 37 10.323 -1.118 -0.558 306 H ILE 38 H ILE 38 3.945 -0.122 -2.217 307 HA ILE 38 HA ILE 38 3.454 2.190 -0.493 308 HB ILE 38 HB ILE 38 1.816 0.806 -2.592 309 HG12 ILE 38 HG12 ILE 38 3.246 3.457 -2.784 310 HG13 ILE 38 HG13 ILE 38 3.789 1.947 -3.506 311 HG21 ILE 38 HG21 ILE 38 0.339 1.897 -0.998 312 HG22 ILE 38 HG22 ILE 38 0.318 2.829 -2.495 313 HG23 ILE 38 HG23 ILE 38 1.244 3.399 -1.114 314 HD11 ILE 38 HD11 ILE 38 1.263 3.434 -4.174 315 HD12 ILE 38 HD12 ILE 38 1.792 1.909 -4.918 316 HD13 ILE 38 HD13 ILE 38 2.731 3.391 -5.142 317 H VAL 39 H VAL 39 1.999 1.949 1.256 318 HA VAL 39 HA VAL 39 0.685 -0.654 1.579 319 HB VAL 39 HB VAL 39 1.824 1.043 3.824 320 HG11 VAL 39 HG11 VAL 39 0.551 -1.695 3.900 321 HG12 VAL 39 HG12 VAL 39 -0.145 -0.210 4.518 322 HG13 VAL 39 HG13 VAL 39 1.294 -0.884 5.272 323 HG21 VAL 39 HG21 VAL 39 3.657 0.007 2.584 324 HG22 VAL 39 HG22 VAL 39 2.877 -1.570 2.724 325 HG23 VAL 39 HG23 VAL 39 3.483 -0.755 4.167 326 H ALA 40 H ALA 40 -1.419 -0.447 1.869 327 HA ALA 40 HA ALA 40 -2.576 2.096 2.836 328 HB1 ALA 40 HB1 ALA 40 -2.569 2.198 0.391 329 HB2 ALA 40 HB2 ALA 40 -4.208 2.076 1.050 330 HB3 ALA 40 HB3 ALA 40 -3.425 0.651 0.371 331 H ARG 41 H ARG 41 -4.494 1.872 3.791 332 HA ARG 41 HA ARG 41 -5.320 -0.913 4.218 333 HB2 ARG 41 HB2 ARG 41 -4.740 0.650 6.324 334 HB3 ARG 41 HB3 ARG 41 -6.214 1.403 5.878 335 HG2 ARG 41 HG2 ARG 41 -7.561 -0.392 6.402 336 HG3 ARG 41 HG3 ARG 41 -6.222 -1.544 6.338 337 HD2 ARG 41 HD2 ARG 41 -5.237 -0.558 8.230 338 HD3 ARG 41 HD3 ARG 41 -6.535 0.654 8.360 339 HE ARG 41 HE ARG 41 -7.496 -2.034 8.447 340 HH11 ARG 41 HH11 ARG 41 -6.007 0.511 10.448 341 HH12 ARG 41 HH12 ARG 41 -6.549 -0.108 11.917 342 HH21 ARG 41 HH21 ARG 41 -8.268 -2.888 10.492 343 HH22 ARG 41 HH22 ARG 41 -7.875 -2.091 11.952 344 H LEU 42 H LEU 42 -7.386 -1.413 3.888 345 HA LEU 42 HA LEU 42 -8.737 0.395 2.066 346 HB2 LEU 42 HB2 LEU 42 -9.331 -2.431 2.878 347 HB3 LEU 42 HB3 LEU 42 -10.145 -1.560 1.589 348 HG LEU 42 HG LEU 42 -7.238 -2.365 1.636 349 HD11 LEU 42 HD11 LEU 42 -7.833 -3.811 -0.222 350 HD12 LEU 42 HD12 LEU 42 -9.535 -3.387 0.012 351 HD13 LEU 42 HD13 LEU 42 -8.644 -4.236 1.280 352 HD21 LEU 42 HD21 LEU 42 -7.159 -1.546 -0.671 353 HD22 LEU 42 HD22 LEU 42 -7.499 -0.252 0.481 354 HD23 LEU 42 HD23 LEU 42 -8.806 -0.926 -0.492 355 H LYS 43 H LYS 43 -10.715 1.253 2.442 356 HA LYS 43 HA LYS 43 -11.499 1.718 5.124 357 HB2 LYS 43 HB2 LYS 43 -12.979 2.230 2.535 358 HB3 LYS 43 HB3 LYS 43 -13.402 2.908 4.095 359 HG2 LYS 43 HG2 LYS 43 -11.268 4.103 4.150 360 HG3 LYS 43 HG3 LYS 43 -10.843 3.404 2.590 361 HD2 LYS 43 HD2 LYS 43 -11.656 5.671 2.303 362 HD3 LYS 43 HD3 LYS 43 -12.789 4.528 1.581 363 HE2 LYS 43 HE2 LYS 43 -14.235 4.697 3.526 364 HE3 LYS 43 HE3 LYS 43 -13.064 5.754 4.315 365 HZ1 LYS 43 HZ1 LYS 43 -14.901 6.997 3.346 366 HZ2 LYS 43 HZ2 LYS 43 -14.591 6.372 1.832 367 HZ3 LYS 43 HZ3 LYS 43 -13.468 7.395 2.553 368 H ASN 44 H ASN 44 -13.136 0.137 2.389 369 HA ASN 44 HA ASN 44 -15.279 -0.872 3.971 370 HB2 ASN 44 HB2 ASN 44 -15.601 -0.271 1.623 371 HB3 ASN 44 HB3 ASN 44 -14.452 -1.509 1.134 372 HD21 ASN 44 HD21 ASN 44 -17.629 -0.879 2.349 373 HD22 ASN 44 HD22 ASN 44 -18.309 -2.426 2.026 374 H ASN 45 H ASN 45 -12.295 -2.189 2.818 375 HA ASN 45 HA ASN 45 -13.090 -4.854 3.729 376 HB2 ASN 45 HB2 ASN 45 -12.011 -4.597 1.500 377 HB3 ASN 45 HB3 ASN 45 -10.547 -4.049 2.294 378 HD21 ASN 45 HD21 ASN 45 -9.391 -5.790 1.296 379 HD22 ASN 45 HD22 ASN 45 -9.568 -7.389 1.858 380 H ASN 46 H ASN 46 -11.097 -2.181 4.735 381 HA ASN 46 HA ASN 46 -9.902 -1.701 6.629 382 HB2 ASN 46 HB2 ASN 46 -12.058 -2.415 7.696 383 HB3 ASN 46 HB3 ASN 46 -11.461 -4.064 7.760 384 HD21 ASN 46 HD21 ASN 46 -11.179 -0.850 9.080 385 HD22 ASN 46 HD22 ASN 46 -10.346 -1.289 10.511 386 H ARG 47 H ARG 47 -9.028 -3.957 4.763 387 HA ARG 47 HA ARG 47 -7.019 -5.112 6.530 388 HB2 ARG 47 HB2 ARG 47 -7.576 -5.594 3.628 389 HB3 ARG 47 HB3 ARG 47 -6.310 -6.395 4.539 390 HG2 ARG 47 HG2 ARG 47 -8.106 -7.350 5.998 391 HG3 ARG 47 HG3 ARG 47 -9.281 -6.668 4.864 392 HD2 ARG 47 HD2 ARG 47 -8.871 -8.918 4.113 393 HD3 ARG 47 HD3 ARG 47 -8.036 -7.728 3.089 394 HE ARG 47 HE ARG 47 -6.452 -8.811 5.206 395 HH11 ARG 47 HH11 ARG 47 -7.324 -9.031 1.762 396 HH12 ARG 47 HH12 ARG 47 -5.882 -9.795 1.309 397 HH21 ARG 47 HH21 ARG 47 -4.441 -9.863 4.539 398 HH22 ARG 47 HH22 ARG 47 -4.198 -10.266 2.908 399 H GLN 48 H GLN 48 -4.802 -4.978 5.894 400 HA GLN 48 HA GLN 48 -4.330 -2.473 4.560 401 HB2 GLN 48 HB2 GLN 48 -3.717 -2.566 6.988 402 HB3 GLN 48 HB3 GLN 48 -2.519 -3.806 6.578 403 HG2 GLN 48 HG2 GLN 48 -1.412 -2.274 5.205 404 HG3 GLN 48 HG3 GLN 48 -2.775 -1.156 5.412 405 HE21 GLN 48 HE21 GLN 48 -1.522 -2.986 8.104 406 HE22 GLN 48 HE22 GLN 48 -0.786 -1.652 8.904 407 H VAL 49 H VAL 49 -3.373 -2.664 2.687 408 HA VAL 49 HA VAL 49 -1.999 -5.169 2.039 409 HB VAL 49 HB VAL 49 -2.851 -4.903 -0.273 410 HG11 VAL 49 HG11 VAL 49 -5.160 -5.661 0.185 411 HG12 VAL 49 HG12 VAL 49 -5.004 -5.090 1.845 412 HG13 VAL 49 HG13 VAL 49 -4.002 -6.424 1.277 413 HG21 VAL 49 HG21 VAL 49 -3.311 -2.517 -0.281 414 HG22 VAL 49 HG22 VAL 49 -4.582 -2.729 0.918 415 HG23 VAL 49 HG23 VAL 49 -4.774 -3.410 -0.699 416 H CYS 50 H CYS 50 -0.443 -4.988 0.329 417 HA CYS 50 HA CYS 50 0.936 -2.440 0.363 418 HB2 CYS 50 HB2 CYS 50 1.764 -4.990 -1.070 419 HB3 CYS 50 HB3 CYS 50 2.744 -3.623 -0.621 420 H ILE 51 H ILE 51 1.311 -1.363 -1.629 421 HA ILE 51 HA ILE 51 -0.582 -2.187 -3.691 422 HB ILE 51 HB ILE 51 -0.052 0.657 -2.816 423 HG12 ILE 51 HG12 ILE 51 -2.369 -1.193 -2.699 424 HG13 ILE 51 HG13 ILE 51 -1.493 -0.513 -1.350 425 HG21 ILE 51 HG21 ILE 51 -0.285 0.588 -5.236 426 HG22 ILE 51 HG22 ILE 51 -1.711 1.314 -4.480 427 HG23 ILE 51 HG23 ILE 51 -1.769 -0.348 -5.060 428 HD11 ILE 51 HD11 ILE 51 -2.242 1.741 -1.899 429 HD12 ILE 51 HD12 ILE 51 -3.622 0.676 -1.635 430 HD13 ILE 51 HD13 ILE 51 -3.143 1.120 -3.277 431 H ASP 52 H ASP 52 -0.154 -2.072 -5.667 432 HA ASP 52 HA ASP 52 2.483 -2.207 -6.624 433 HB2 ASP 52 HB2 ASP 52 0.732 -3.497 -7.422 434 HB3 ASP 52 HB3 ASP 52 -0.227 -2.115 -7.927 435 HA PRO 53 HA PRO 53 2.835 2.199 -7.277 436 HB2 PRO 53 HB2 PRO 53 5.332 2.227 -8.241 437 HB3 PRO 53 HB3 PRO 53 4.983 1.863 -6.543 438 HG2 PRO 53 HG2 PRO 53 5.530 -0.025 -8.794 439 HG3 PRO 53 HG3 PRO 53 6.215 -0.030 -7.157 440 HD2 PRO 53 HD2 PRO 53 4.150 -1.624 -7.913 441 HD3 PRO 53 HD3 PRO 53 4.334 -1.009 -6.253 442 H LYS 54 H LYS 54 2.118 0.016 -9.619 443 HA LYS 54 HA LYS 54 2.693 1.886 -11.797 444 HB2 LYS 54 HB2 LYS 54 2.187 -1.076 -11.869 445 HB3 LYS 54 HB3 LYS 54 2.350 -0.044 -13.286 446 HG2 LYS 54 HG2 LYS 54 4.629 0.469 -12.699 447 HG3 LYS 54 HG3 LYS 54 4.476 -0.434 -11.191 448 HD2 LYS 54 HD2 LYS 54 5.643 -1.716 -12.943 449 HD3 LYS 54 HD3 LYS 54 4.145 -2.489 -12.419 450 HE2 LYS 54 HE2 LYS 54 2.991 -1.622 -14.349 451 HE3 LYS 54 HE3 LYS 54 4.447 -0.779 -14.882 452 HZ1 LYS 54 HZ1 LYS 54 5.540 -2.927 -15.131 453 HZ2 LYS 54 HZ2 LYS 54 4.142 -2.866 -16.069 454 HZ3 LYS 54 HZ3 LYS 54 4.154 -3.727 -14.621 455 H LEU 55 H LEU 55 0.200 0.879 -9.783 456 HA LEU 55 HA LEU 55 -1.982 0.676 -11.451 457 HB2 LEU 55 HB2 LEU 55 -1.613 1.783 -8.723 458 HB3 LEU 55 HB3 LEU 55 -3.190 1.752 -9.435 459 HG LEU 55 HG LEU 55 -1.461 -0.657 -8.775 460 HD11 LEU 55 HD11 LEU 55 -4.020 0.354 -7.541 461 HD12 LEU 55 HD12 LEU 55 -2.420 0.500 -6.829 462 HD13 LEU 55 HD13 LEU 55 -3.136 -1.096 -7.058 463 HD21 LEU 55 HD21 LEU 55 -3.425 -1.985 -9.318 464 HD22 LEU 55 HD22 LEU 55 -2.886 -1.083 -10.733 465 HD23 LEU 55 HD23 LEU 55 -4.287 -0.532 -9.796 466 H LYS 56 H LYS 56 -3.425 2.136 -12.225 467 HA LYS 56 HA LYS 56 -2.183 4.442 -13.279 468 HB2 LYS 56 HB2 LYS 56 -5.018 3.457 -13.584 469 HB3 LYS 56 HB3 LYS 56 -4.282 4.750 -14.534 470 HG2 LYS 56 HG2 LYS 56 -2.610 3.233 -15.376 471 HG3 LYS 56 HG3 LYS 56 -3.262 1.927 -14.399 472 HD2 LYS 56 HD2 LYS 56 -5.357 2.043 -15.689 473 HD3 LYS 56 HD3 LYS 56 -4.658 3.333 -16.681 474 HE2 LYS 56 HE2 LYS 56 -2.857 1.842 -17.376 475 HE3 LYS 56 HE3 LYS 56 -3.519 0.558 -16.375 476 HZ1 LYS 56 HZ1 LYS 56 -4.830 1.790 -18.736 477 HZ2 LYS 56 HZ2 LYS 56 -5.488 0.544 -17.809 478 HZ3 LYS 56 HZ3 LYS 56 -4.063 0.302 -18.687 479 H TRP 57 H TRP 57 -4.613 3.991 -10.766 480 HA TRP 57 HA TRP 57 -4.965 6.840 -10.540 481 HB2 TRP 57 HB2 TRP 57 -6.346 6.419 -8.574 482 HB3 TRP 57 HB3 TRP 57 -6.764 5.228 -9.788 483 HD1 TRP 57 HD1 TRP 57 -6.206 2.619 -9.161 484 HE1 TRP 57 HE1 TRP 57 -5.668 1.505 -6.980 485 HE3 TRP 57 HE3 TRP 57 -5.150 6.772 -6.408 486 HZ2 TRP 57 HZ2 TRP 57 -4.873 2.254 -4.357 487 HZ3 TRP 57 HZ3 TRP 57 -4.516 6.499 -4.062 488 HH2 TRP 57 HH2 TRP 57 -4.368 4.297 -3.048 489 H ILE 58 H ILE 58 -2.842 4.478 -9.306 490 HA ILE 58 HA ILE 58 -1.650 5.970 -7.211 491 HB ILE 58 HB ILE 58 -0.744 3.600 -8.834 492 HG12 ILE 58 HG12 ILE 58 -2.446 3.155 -7.164 493 HG13 ILE 58 HG13 ILE 58 -0.950 2.369 -6.702 494 HG21 ILE 58 HG21 ILE 58 1.171 3.300 -7.389 495 HG22 ILE 58 HG22 ILE 58 0.906 4.907 -6.685 496 HG23 ILE 58 HG23 ILE 58 1.295 4.735 -8.398 497 HD11 ILE 58 HD11 ILE 58 -0.476 4.196 -5.144 498 HD12 ILE 58 HD12 ILE 58 -1.989 3.363 -4.779 499 HD13 ILE 58 HD13 ILE 58 -2.028 4.936 -5.557 500 H GLN 59 H GLN 59 -1.024 5.667 -10.638 501 HA GLN 59 HA GLN 59 1.334 7.163 -10.797 502 HB2 GLN 59 HB2 GLN 59 -0.955 7.155 -12.751 503 HB3 GLN 59 HB3 GLN 59 0.683 7.710 -13.076 504 HG2 GLN 59 HG2 GLN 59 -0.162 4.886 -12.446 505 HG3 GLN 59 HG3 GLN 59 0.309 5.494 -14.031 506 HE21 GLN 59 HE21 GLN 59 1.367 4.454 -10.933 507 HE22 GLN 59 HE22 GLN 59 3.051 4.395 -11.263 508 H GLU 60 H GLU 60 -2.046 8.164 -10.948 509 HA GLU 60 HA GLU 60 -1.689 10.917 -11.172 510 HB2 GLU 60 HB2 GLU 60 -3.893 9.475 -9.686 511 HB3 GLU 60 HB3 GLU 60 -3.959 11.120 -10.302 512 HG2 GLU 60 HG2 GLU 60 -3.794 8.599 -11.942 513 HG3 GLU 60 HG3 GLU 60 -5.220 9.598 -11.708 514 H TYR 61 H TYR 61 -1.935 8.809 -8.337 515 HA TYR 61 HA TYR 61 -1.848 10.747 -6.327 516 HB2 TYR 61 HB2 TYR 61 -2.324 8.313 -5.890 517 HB3 TYR 61 HB3 TYR 61 -0.627 7.979 -6.176 518 HD1 TYR 61 HD1 TYR 61 -3.003 9.585 -3.869 519 HD2 TYR 61 HD2 TYR 61 1.048 8.427 -4.467 520 HE1 TYR 61 HE1 TYR 61 -2.520 10.028 -1.498 521 HE2 TYR 61 HE2 TYR 61 1.533 8.872 -2.118 522 HH TYR 61 HH TYR 61 -0.915 9.371 0.188 523 H LEU 62 H LEU 62 0.880 8.946 -7.759 524 HA LEU 62 HA LEU 62 2.801 10.316 -6.202 525 HB2 LEU 62 HB2 LEU 62 3.102 8.616 -8.652 526 HB3 LEU 62 HB3 LEU 62 4.466 9.494 -8.005 527 HG LEU 62 HG LEU 62 4.154 8.245 -5.833 528 HD11 LEU 62 HD11 LEU 62 2.224 6.594 -7.369 529 HD12 LEU 62 HD12 LEU 62 1.845 7.689 -6.049 530 HD13 LEU 62 HD13 LEU 62 2.845 6.263 -5.748 531 HD21 LEU 62 HD21 LEU 62 5.806 7.598 -7.449 532 HD22 LEU 62 HD22 LEU 62 4.628 6.584 -8.282 533 HD23 LEU 62 HD23 LEU 62 5.128 6.181 -6.633 534 H GLU 63 H GLU 63 1.622 10.900 -9.462 535 HA GLU 63 HA GLU 63 3.468 12.947 -9.970 536 HB2 GLU 63 HB2 GLU 63 0.792 12.382 -11.217 537 HB3 GLU 63 HB3 GLU 63 1.918 13.602 -11.798 538 HG2 GLU 63 HG2 GLU 63 3.591 11.907 -12.222 539 HG3 GLU 63 HG3 GLU 63 2.521 10.668 -11.573 540 H LYS 64 H LYS 64 0.168 13.072 -8.620 541 HA LYS 64 HA LYS 64 0.312 15.914 -8.497 542 HB2 LYS 64 HB2 LYS 64 -1.765 15.930 -7.345 543 HB3 LYS 64 HB3 LYS 64 -1.856 14.744 -8.632 544 HG2 LYS 64 HG2 LYS 64 -1.531 12.975 -6.980 545 HG3 LYS 64 HG3 LYS 64 -1.498 14.204 -5.706 546 HD2 LYS 64 HD2 LYS 64 -3.681 14.979 -6.423 547 HD3 LYS 64 HD3 LYS 64 -3.741 13.685 -7.620 548 HE2 LYS 64 HE2 LYS 64 -4.997 12.965 -5.712 549 HE3 LYS 64 HE3 LYS 64 -3.466 12.072 -5.797 550 HZ1 LYS 64 HZ1 LYS 64 -3.991 14.386 -3.996 551 HZ2 LYS 64 HZ2 LYS 64 -2.561 13.533 -4.085 552 HZ3 LYS 64 HZ3 LYS 64 -3.952 12.785 -3.518 553 H ALA 65 H ALA 65 1.401 13.372 -6.485 554 HA ALA 65 HA ALA 65 1.705 14.948 -4.132 555 HB1 ALA 65 HB1 ALA 65 3.157 13.147 -3.319 556 HB2 ALA 65 HB2 ALA 65 3.200 12.447 -4.938 557 HB3 ALA 65 HB3 ALA 65 1.689 12.482 -4.036 558 H LEU 66 H LEU 66 3.735 14.147 -6.879 559 HA LEU 66 HA LEU 66 6.029 15.562 -5.918 560 HB2 LEU 66 HB2 LEU 66 5.355 14.584 -8.684 561 HB3 LEU 66 HB3 LEU 66 6.914 15.221 -8.200 562 HG LEU 66 HG LEU 66 5.635 12.705 -7.132 563 HD11 LEU 66 HD11 LEU 66 6.384 12.471 -9.431 564 HD12 LEU 66 HD12 LEU 66 7.429 11.568 -8.330 565 HD13 LEU 66 HD13 LEU 66 7.965 13.115 -8.979 566 HD21 LEU 66 HD21 LEU 66 7.010 13.785 -5.445 567 HD22 LEU 66 HD22 LEU 66 8.344 13.920 -6.596 568 HD23 LEU 66 HD23 LEU 66 7.798 12.334 -6.050 569 H ASN 67 H ASN 67 3.236 16.398 -7.748 570 HA ASN 67 HA ASN 67 4.268 18.973 -8.538 571 HB2 ASN 67 HB2 ASN 67 2.455 17.888 -9.840 572 HB3 ASN 67 HB3 ASN 67 1.415 17.944 -8.428 573 HD21 ASN 67 HD21 ASN 67 3.545 20.609 -9.412 574 HD22 ASN 67 HD22 ASN 67 2.261 21.674 -9.824 575 H LYS 68 H LYS 68 2.126 17.672 -6.072 576 HA LYS 68 HA LYS 68 1.483 18.261 -4.084 577 HB2 LYS 68 HB2 LYS 68 3.887 18.463 -3.653 578 HB3 LYS 68 HB3 LYS 68 3.849 20.143 -4.151 579 HG2 LYS 68 HG2 LYS 68 2.361 20.643 -2.294 580 HG3 LYS 68 HG3 LYS 68 2.438 18.957 -1.779 581 HD2 LYS 68 HD2 LYS 68 4.841 19.162 -1.512 582 HD3 LYS 68 HD3 LYS 68 4.756 20.854 -2.015 583 HE2 LYS 68 HE2 LYS 68 3.248 21.306 -0.106 584 HE3 LYS 68 HE3 LYS 68 3.440 19.632 0.404 585 HZ1 LYS 68 HZ1 LYS 68 4.900 21.119 1.615 586 HZ2 LYS 68 HZ2 LYS 68 5.639 21.606 0.180 587 HZ3 LYS 68 HZ3 LYS 68 5.779 20.018 0.715 Start of MODEL 16 1 H LYS 1 H LYS 1 20.460 -20.407 13.288 2 HA LYS 1 HA LYS 1 18.502 -21.562 11.434 3 HB2 LYS 1 HB2 LYS 1 18.238 -19.248 13.370 4 HB3 LYS 1 HB3 LYS 1 17.011 -19.788 12.247 5 HG2 LYS 1 HG2 LYS 1 16.850 -21.921 13.456 6 HG3 LYS 1 HG3 LYS 1 18.060 -21.348 14.601 7 HD2 LYS 1 HD2 LYS 1 15.360 -20.072 14.106 8 HD3 LYS 1 HD3 LYS 1 15.784 -21.072 15.492 9 HE2 LYS 1 HE2 LYS 1 17.465 -19.416 16.176 10 HE3 LYS 1 HE3 LYS 1 17.073 -18.429 14.772 11 HZ1 LYS 1 HZ1 LYS 1 15.236 -19.061 17.022 12 HZ2 LYS 1 HZ2 LYS 1 14.831 -18.179 15.640 13 HZ3 LYS 1 HZ3 LYS 1 15.970 -17.570 16.689 14 HA PRO 2 HA PRO 2 20.106 -18.214 8.909 15 HB2 PRO 2 HB2 PRO 2 17.793 -18.037 7.266 16 HB3 PRO 2 HB3 PRO 2 19.245 -18.981 6.933 17 HG2 PRO 2 HG2 PRO 2 16.723 -20.044 7.456 18 HG3 PRO 2 HG3 PRO 2 18.252 -20.929 7.581 19 HD2 PRO 2 HD2 PRO 2 16.608 -19.664 9.734 20 HD3 PRO 2 HD3 PRO 2 17.552 -21.169 9.758 21 H VAL 3 H VAL 3 20.092 -16.434 10.252 22 HA VAL 3 HA VAL 3 17.678 -14.767 10.173 23 HB VAL 3 HB VAL 3 19.590 -14.971 12.526 24 HG11 VAL 3 HG11 VAL 3 17.028 -13.413 12.229 25 HG12 VAL 3 HG12 VAL 3 18.659 -12.751 12.317 26 HG13 VAL 3 HG13 VAL 3 17.956 -13.570 13.716 27 HG21 VAL 3 HG21 VAL 3 18.227 -16.982 12.409 28 HG22 VAL 3 HG22 VAL 3 16.764 -16.008 12.283 29 HG23 VAL 3 HG23 VAL 3 17.715 -15.985 13.769 30 H SER 4 H SER 4 18.412 -13.472 8.550 31 HA SER 4 HA SER 4 21.023 -12.234 8.929 32 HB2 SER 4 HB2 SER 4 19.283 -12.326 6.463 33 HB3 SER 4 HB3 SER 4 20.919 -11.669 6.563 34 HG SER 4 HG SER 4 21.423 -13.888 7.415 35 H LEU 5 H LEU 5 21.060 -10.277 9.738 36 HA LEU 5 HA LEU 5 18.688 -8.608 9.561 37 HB2 LEU 5 HB2 LEU 5 21.292 -8.127 11.033 38 HB3 LEU 5 HB3 LEU 5 19.866 -7.116 11.135 39 HG LEU 5 HG LEU 5 20.128 -9.947 12.151 40 HD11 LEU 5 HD11 LEU 5 21.298 -8.340 13.526 41 HD12 LEU 5 HD12 LEU 5 19.856 -8.928 14.351 42 HD13 LEU 5 HD13 LEU 5 19.856 -7.328 13.610 43 HD21 LEU 5 HD21 LEU 5 17.777 -8.058 12.276 44 HD22 LEU 5 HD22 LEU 5 17.885 -9.618 13.092 45 HD23 LEU 5 HD23 LEU 5 17.863 -9.543 11.330 46 H SER 6 H SER 6 18.744 -8.151 7.411 47 HA SER 6 HA SER 6 20.796 -6.298 6.536 48 HB2 SER 6 HB2 SER 6 20.945 -7.614 4.397 49 HB3 SER 6 HB3 SER 6 21.625 -8.439 5.802 50 HG SER 6 HG SER 6 20.035 -9.542 4.247 51 H TYR 7 H TYR 7 19.977 -5.934 3.976 52 HA TYR 7 HA TYR 7 17.392 -4.762 4.377 53 HB2 TYR 7 HB2 TYR 7 19.270 -4.596 2.019 54 HB3 TYR 7 HB3 TYR 7 17.728 -3.757 2.147 55 HD1 TYR 7 HD1 TYR 7 17.420 -2.077 3.982 56 HD2 TYR 7 HD2 TYR 7 21.220 -3.691 2.989 57 HE1 TYR 7 HE1 TYR 7 18.506 -0.208 5.133 58 HE2 TYR 7 HE2 TYR 7 22.320 -1.821 4.143 59 HH TYR 7 HH TYR 7 20.649 0.252 6.221 60 H ARG 8 H ARG 8 15.600 -5.254 3.374 61 HA ARG 8 HA ARG 8 15.382 -7.439 1.484 62 HB2 ARG 8 HB2 ARG 8 13.688 -8.533 3.013 63 HB3 ARG 8 HB3 ARG 8 15.343 -8.624 3.616 64 HG2 ARG 8 HG2 ARG 8 14.932 -6.738 5.074 65 HG3 ARG 8 HG3 ARG 8 13.278 -6.615 4.489 66 HD2 ARG 8 HD2 ARG 8 12.778 -8.801 5.429 67 HD3 ARG 8 HD3 ARG 8 14.462 -8.981 5.939 68 HE ARG 8 HE ARG 8 13.801 -6.685 7.085 69 HH11 ARG 8 HH11 ARG 8 12.171 -9.816 7.138 70 HH12 ARG 8 HH12 ARG 8 11.449 -9.568 8.671 71 HH21 ARG 8 HH21 ARG 8 12.843 -6.361 9.172 72 HH22 ARG 8 HH22 ARG 8 11.838 -7.579 9.836 73 H CYS 9 H CYS 9 12.607 -7.639 1.561 74 HA CYS 9 HA CYS 9 11.859 -4.847 1.155 75 HB2 CYS 9 HB2 CYS 9 10.731 -7.366 -0.076 76 HB3 CYS 9 HB3 CYS 9 10.104 -5.745 -0.346 77 HA PRO 10 HA PRO 10 8.957 -5.424 4.567 78 HB2 PRO 10 HB2 PRO 10 7.707 -2.999 3.298 79 HB3 PRO 10 HB3 PRO 10 8.256 -3.248 4.965 80 HG2 PRO 10 HG2 PRO 10 9.659 -1.743 3.323 81 HG3 PRO 10 HG3 PRO 10 10.481 -2.892 4.399 82 HD2 PRO 10 HD2 PRO 10 9.827 -3.179 1.485 83 HD3 PRO 10 HD3 PRO 10 11.354 -3.475 2.360 84 H CYS 11 H CYS 11 7.960 -4.864 1.216 85 HA CYS 11 HA CYS 11 5.629 -6.569 1.700 86 HB2 CYS 11 HB2 CYS 11 6.027 -4.368 -0.336 87 HB3 CYS 11 HB3 CYS 11 4.684 -5.496 -0.364 88 H ARG 12 H ARG 12 5.269 -8.184 0.255 89 HA ARG 12 HA ARG 12 7.423 -8.703 -1.684 90 HB2 ARG 12 HB2 ARG 12 5.766 -10.702 -0.125 91 HB3 ARG 12 HB3 ARG 12 6.966 -11.118 -1.338 92 HG2 ARG 12 HG2 ARG 12 8.731 -10.171 0.031 93 HG3 ARG 12 HG3 ARG 12 7.547 -9.648 1.229 94 HD2 ARG 12 HD2 ARG 12 8.110 -12.510 0.442 95 HD3 ARG 12 HD3 ARG 12 8.689 -11.720 1.907 96 HE ARG 12 HE ARG 12 5.989 -11.391 1.946 97 HH11 ARG 12 HH11 ARG 12 8.180 -14.183 1.857 98 HH12 ARG 12 HH12 ARG 12 7.104 -15.229 2.634 99 HH21 ARG 12 HH21 ARG 12 4.512 -12.853 3.051 100 HH22 ARG 12 HH22 ARG 12 4.987 -14.468 3.319 101 H PHE 13 H PHE 13 4.026 -8.852 -0.930 102 HA PHE 13 HA PHE 13 3.342 -9.291 -3.745 103 HB2 PHE 13 HB2 PHE 13 1.698 -9.665 -1.226 104 HB3 PHE 13 HB3 PHE 13 1.109 -9.935 -2.855 105 HD1 PHE 13 HD1 PHE 13 3.226 -11.215 -0.156 106 HD2 PHE 13 HD2 PHE 13 1.744 -11.925 -4.083 107 HE1 PHE 13 HE1 PHE 13 3.956 -13.561 -0.003 108 HE2 PHE 13 HE2 PHE 13 2.470 -14.266 -3.937 109 HZ PHE 13 HZ PHE 13 3.578 -15.090 -1.897 110 H PHE 14 H PHE 14 1.979 -7.765 -4.714 111 HA PHE 14 HA PHE 14 1.072 -5.451 -3.111 112 HB2 PHE 14 HB2 PHE 14 2.348 -5.389 -5.818 113 HB3 PHE 14 HB3 PHE 14 1.689 -3.991 -4.982 114 HD1 PHE 14 HD1 PHE 14 2.932 -3.105 -3.027 115 HD2 PHE 14 HD2 PHE 14 4.502 -6.196 -5.469 116 HE1 PHE 14 HE1 PHE 14 5.152 -2.653 -2.147 117 HE2 PHE 14 HE2 PHE 14 6.738 -5.760 -4.610 118 HZ PHE 14 HZ PHE 14 7.095 -3.981 -2.930 119 H GLU 15 H GLU 15 -0.825 -4.579 -3.863 120 HA GLU 15 HA GLU 15 -2.116 -6.260 -5.824 121 HB2 GLU 15 HB2 GLU 15 -3.315 -4.540 -3.690 122 HB3 GLU 15 HB3 GLU 15 -4.255 -5.296 -4.969 123 HG2 GLU 15 HG2 GLU 15 -3.421 -7.431 -4.298 124 HG3 GLU 15 HG3 GLU 15 -2.573 -6.703 -2.921 125 H SER 16 H SER 16 -2.894 -5.586 -7.633 126 HA SER 16 HA SER 16 -2.731 -2.762 -8.229 127 HB2 SER 16 HB2 SER 16 -2.436 -3.615 -10.630 128 HB3 SER 16 HB3 SER 16 -1.077 -3.830 -9.529 129 HG SER 16 HG SER 16 -1.225 -5.833 -9.789 130 H HIS 17 H HIS 17 -4.889 -4.684 -7.212 131 HA HIS 17 HA HIS 17 -6.996 -4.036 -9.183 132 HB2 HIS 17 HB2 HIS 17 -6.634 -6.483 -8.655 133 HB3 HIS 17 HB3 HIS 17 -6.977 -6.150 -6.976 134 HD1 HIS 17 HD1 HIS 17 -8.599 -6.754 -10.281 135 HD2 HIS 17 HD2 HIS 17 -9.788 -5.828 -6.406 136 HE1 HIS 17 HE1 HIS 17 -11.055 -7.210 -10.196 137 HE2 HIS 17 HE2 HIS 17 -11.771 -6.524 -7.889 138 H VAL 18 H VAL 18 -5.640 -2.499 -6.976 139 HA VAL 18 HA VAL 18 -7.621 -2.203 -4.925 140 HB VAL 18 HB VAL 18 -5.098 -0.608 -5.362 141 HG11 VAL 18 HG11 VAL 18 -6.827 -0.913 -2.888 142 HG12 VAL 18 HG12 VAL 18 -6.677 0.539 -3.875 143 HG13 VAL 18 HG13 VAL 18 -5.293 -0.048 -2.952 144 HG21 VAL 18 HG21 VAL 18 -4.094 -2.103 -3.638 145 HG22 VAL 18 HG22 VAL 18 -4.578 -2.989 -5.074 146 HG23 VAL 18 HG23 VAL 18 -5.568 -3.048 -3.629 147 H ALA 19 H ALA 19 -8.893 -0.328 -4.530 148 HA ALA 19 HA ALA 19 -9.174 1.423 -6.874 149 HB1 ALA 19 HB1 ALA 19 -11.197 0.697 -4.762 150 HB2 ALA 19 HB2 ALA 19 -11.117 0.026 -6.390 151 HB3 ALA 19 HB3 ALA 19 -11.487 1.733 -6.162 152 H ARG 20 H ARG 20 -9.273 3.610 -6.621 153 HA ARG 20 HA ARG 20 -7.977 4.853 -4.447 154 HB2 ARG 20 HB2 ARG 20 -7.899 5.871 -6.630 155 HB3 ARG 20 HB3 ARG 20 -9.643 5.966 -6.721 156 HG2 ARG 20 HG2 ARG 20 -8.684 8.159 -6.321 157 HG3 ARG 20 HG3 ARG 20 -9.649 7.650 -4.941 158 HD2 ARG 20 HD2 ARG 20 -7.573 6.958 -3.794 159 HD3 ARG 20 HD3 ARG 20 -6.643 7.570 -5.164 160 HE ARG 20 HE ARG 20 -8.276 9.629 -4.340 161 HH11 ARG 20 HH11 ARG 20 -5.620 7.774 -2.942 162 HH12 ARG 20 HH12 ARG 20 -5.159 9.043 -1.875 163 HH21 ARG 20 HH21 ARG 20 -7.598 11.328 -2.920 164 HH22 ARG 20 HH22 ARG 20 -6.286 11.078 -1.861 165 H ALA 21 H ALA 21 -11.307 4.218 -5.149 166 HA ALA 21 HA ALA 21 -12.341 5.969 -3.130 167 HB1 ALA 21 HB1 ALA 21 -13.725 3.763 -4.651 168 HB2 ALA 21 HB2 ALA 21 -13.623 5.449 -5.151 169 HB3 ALA 21 HB3 ALA 21 -14.510 5.016 -3.688 170 H ASN 22 H ASN 22 -10.819 2.967 -2.953 171 HA ASN 22 HA ASN 22 -12.325 2.244 -0.489 172 HB2 ASN 22 HB2 ASN 22 -12.265 0.586 -2.419 173 HB3 ASN 22 HB3 ASN 22 -10.541 0.422 -2.073 174 HD21 ASN 22 HD21 ASN 22 -10.534 -1.586 -1.290 175 HD22 ASN 22 HD22 ASN 22 -11.362 -2.131 0.106 176 H VAL 23 H VAL 23 -9.492 3.639 -1.511 177 HA VAL 23 HA VAL 23 -7.909 2.425 0.576 178 HB VAL 23 HB VAL 23 -6.757 2.973 -1.520 179 HG11 VAL 23 HG11 VAL 23 -8.013 4.933 -2.207 180 HG12 VAL 23 HG12 VAL 23 -6.284 5.268 -2.176 181 HG13 VAL 23 HG13 VAL 23 -7.321 5.852 -0.871 182 HG21 VAL 23 HG21 VAL 23 -4.814 4.063 -0.570 183 HG22 VAL 23 HG22 VAL 23 -5.536 2.933 0.583 184 HG23 VAL 23 HG23 VAL 23 -5.802 4.659 0.772 185 H LYS 24 H LYS 24 -7.839 2.988 2.521 186 HA LYS 24 HA LYS 24 -9.156 5.316 3.527 187 HB2 LYS 24 HB2 LYS 24 -9.238 3.231 4.771 188 HB3 LYS 24 HB3 LYS 24 -7.488 3.188 4.876 189 HG2 LYS 24 HG2 LYS 24 -8.516 3.903 6.994 190 HG3 LYS 24 HG3 LYS 24 -7.500 5.160 6.288 191 HD2 LYS 24 HD2 LYS 24 -9.353 6.268 5.411 192 HD3 LYS 24 HD3 LYS 24 -10.475 5.002 5.939 193 HE2 LYS 24 HE2 LYS 24 -9.851 5.531 8.292 194 HE3 LYS 24 HE3 LYS 24 -8.810 6.821 7.695 195 HZ1 LYS 24 HZ1 LYS 24 -10.745 7.922 6.787 196 HZ2 LYS 24 HZ2 LYS 24 -10.935 7.658 8.435 197 HZ3 LYS 24 HZ3 LYS 24 -11.751 6.676 7.340 198 H HIS 25 H HIS 25 -5.821 4.130 3.624 199 HA HIS 25 HA HIS 25 -4.980 6.876 3.494 200 HB2 HIS 25 HB2 HIS 25 -3.367 6.670 5.334 201 HB3 HIS 25 HB3 HIS 25 -5.017 6.528 5.985 202 HD1 HIS 25 HD1 HIS 25 -2.833 5.843 7.775 203 HD2 HIS 25 HD2 HIS 25 -4.136 3.177 4.933 204 HE1 HIS 25 HE1 HIS 25 -1.998 3.620 8.558 205 HE2 HIS 25 HE2 HIS 25 -2.370 2.197 6.585 206 H LEU 26 H LEU 26 -3.031 7.197 2.583 207 HA LEU 26 HA LEU 26 -1.791 4.836 1.393 208 HB2 LEU 26 HB2 LEU 26 -1.566 7.774 0.708 209 HB3 LEU 26 HB3 LEU 26 -0.537 6.549 0.015 210 HG LEU 26 HG LEU 26 -2.202 7.178 -1.566 211 HD11 LEU 26 HD11 LEU 26 -3.261 5.042 -2.055 212 HD12 LEU 26 HD12 LEU 26 -2.787 4.455 -0.460 213 HD13 LEU 26 HD13 LEU 26 -1.552 4.891 -1.642 214 HD21 LEU 26 HD21 LEU 26 -3.908 8.056 -0.083 215 HD22 LEU 26 HD22 LEU 26 -4.277 6.430 0.496 216 HD23 LEU 26 HD23 LEU 26 -4.612 6.867 -1.181 217 H LYS 27 H LYS 27 0.107 4.193 2.101 218 HA LYS 27 HA LYS 27 1.768 6.106 3.558 219 HB2 LYS 27 HB2 LYS 27 0.494 4.433 5.001 220 HB3 LYS 27 HB3 LYS 27 1.369 3.166 4.213 221 HG2 LYS 27 HG2 LYS 27 2.474 3.582 6.274 222 HG3 LYS 27 HG3 LYS 27 3.501 4.274 5.021 223 HD2 LYS 27 HD2 LYS 27 3.317 5.793 6.915 224 HD3 LYS 27 HD3 LYS 27 2.545 6.500 5.497 225 HE2 LYS 27 HE2 LYS 27 0.326 5.790 6.354 226 HE3 LYS 27 HE3 LYS 27 1.098 5.057 7.737 227 HZ1 LYS 27 HZ1 LYS 27 1.883 7.230 8.426 228 HZ2 LYS 27 HZ2 LYS 27 0.206 7.213 8.263 229 HZ3 LYS 27 HZ3 LYS 27 1.159 7.951 7.081 230 H ILE 28 H ILE 28 3.757 6.123 2.491 231 HA ILE 28 HA ILE 28 4.245 3.786 0.823 232 HB ILE 28 HB ILE 28 4.784 6.660 0.030 233 HG12 ILE 28 HG12 ILE 28 2.836 4.608 -1.031 234 HG13 ILE 28 HG13 ILE 28 2.417 6.062 -0.138 235 HG21 ILE 28 HG21 ILE 28 6.517 5.115 -0.787 236 HG22 ILE 28 HG22 ILE 28 5.508 5.727 -2.110 237 HG23 ILE 28 HG23 ILE 28 5.240 4.094 -1.486 238 HD11 ILE 28 HD11 ILE 28 3.604 5.907 -2.905 239 HD12 ILE 28 HD12 ILE 28 3.275 7.415 -2.036 240 HD13 ILE 28 HD13 ILE 28 1.954 6.335 -2.499 241 H LEU 29 H LEU 29 6.110 2.850 0.941 242 HA LEU 29 HA LEU 29 8.175 4.065 2.634 243 HB2 LEU 29 HB2 LEU 29 6.962 1.945 3.528 244 HB3 LEU 29 HB3 LEU 29 7.675 1.174 2.130 245 HG LEU 29 HG LEU 29 9.823 1.210 2.940 246 HD11 LEU 29 HD11 LEU 29 10.487 2.427 4.996 247 HD12 LEU 29 HD12 LEU 29 8.855 3.085 5.120 248 HD13 LEU 29 HD13 LEU 29 9.890 3.542 3.765 249 HD21 LEU 29 HD21 LEU 29 9.655 0.121 5.092 250 HD22 LEU 29 HD22 LEU 29 8.344 -0.397 4.031 251 HD23 LEU 29 HD23 LEU 29 8.029 0.774 5.312 252 H ASN 30 H ASN 30 9.681 4.779 1.257 253 HA ASN 30 HA ASN 30 10.352 3.118 -1.010 254 HB2 ASN 30 HB2 ASN 30 12.080 5.022 -1.502 255 HB3 ASN 30 HB3 ASN 30 10.379 5.358 -1.745 256 HD21 ASN 30 HD21 ASN 30 11.944 5.282 1.437 257 HD22 ASN 30 HD22 ASN 30 11.724 6.971 1.705 258 H THR 31 H THR 31 11.693 1.525 -0.885 259 HA THR 31 HA THR 31 13.237 1.361 1.559 260 HB THR 31 HB THR 31 12.429 -0.718 -0.445 261 HG1 THR 31 HG1 THR 31 10.946 0.611 1.190 262 HG21 THR 31 HG21 THR 31 12.905 -2.313 1.338 263 HG22 THR 31 HG22 THR 31 13.427 -0.994 2.392 264 HG23 THR 31 HG23 THR 31 14.357 -1.387 0.935 265 HA PRO 32 HA PRO 32 16.953 2.372 -0.706 266 HB2 PRO 32 HB2 PRO 32 18.685 0.804 0.826 267 HB3 PRO 32 HB3 PRO 32 18.201 2.468 1.170 268 HG2 PRO 32 HG2 PRO 32 17.087 -0.086 2.246 269 HG3 PRO 32 HG3 PRO 32 17.429 1.435 3.091 270 HD2 PRO 32 HD2 PRO 32 14.943 0.839 2.448 271 HD3 PRO 32 HD3 PRO 32 15.560 2.492 2.192 272 H ASN 33 H ASN 33 16.404 -1.046 0.046 273 HA ASN 33 HA ASN 33 17.960 -1.716 -2.377 274 HB2 ASN 33 HB2 ASN 33 17.458 -3.420 0.067 275 HB3 ASN 33 HB3 ASN 33 18.131 -4.041 -1.426 276 HD21 ASN 33 HD21 ASN 33 18.893 -0.894 -0.206 277 HD22 ASN 33 HD22 ASN 33 20.529 -1.211 0.210 278 H CYS 34 H CYS 34 14.943 -1.128 -1.934 279 HA CYS 34 HA CYS 34 14.094 -3.432 -3.485 280 HB2 CYS 34 HB2 CYS 34 13.464 -3.704 -0.956 281 HB3 CYS 34 HB3 CYS 34 12.389 -2.377 -1.249 282 H ALA 35 H ALA 35 11.763 -2.939 -4.183 283 HA ALA 35 HA ALA 35 11.820 -0.496 -5.620 284 HB1 ALA 35 HB1 ALA 35 9.635 -1.234 -6.486 285 HB2 ALA 35 HB2 ALA 35 9.606 -2.533 -5.295 286 HB3 ALA 35 HB3 ALA 35 10.828 -2.531 -6.562 287 H LEU 36 H LEU 36 9.232 0.395 -5.519 288 HA LEU 36 HA LEU 36 9.285 1.799 -3.024 289 HB2 LEU 36 HB2 LEU 36 8.903 2.898 -5.199 290 HB3 LEU 36 HB3 LEU 36 7.404 2.007 -5.356 291 HG LEU 36 HG LEU 36 6.545 3.130 -3.353 292 HD11 LEU 36 HD11 LEU 36 7.806 5.048 -2.465 293 HD12 LEU 36 HD12 LEU 36 9.168 4.590 -3.510 294 HD13 LEU 36 HD13 LEU 36 8.614 3.495 -2.243 295 HD21 LEU 36 HD21 LEU 36 6.093 4.030 -5.568 296 HD22 LEU 36 HD22 LEU 36 7.578 4.980 -5.497 297 HD23 LEU 36 HD23 LEU 36 6.255 5.326 -4.375 298 H GLN 37 H GLN 37 8.128 1.094 -1.234 299 HA GLN 37 HA GLN 37 6.063 -0.937 -1.655 300 HB2 GLN 37 HB2 GLN 37 6.561 0.307 1.011 301 HB3 GLN 37 HB3 GLN 37 6.004 -1.280 0.631 302 HG2 GLN 37 HG2 GLN 37 8.839 -0.309 0.482 303 HG3 GLN 37 HG3 GLN 37 8.159 -1.461 1.620 304 HE21 GLN 37 HE21 GLN 37 9.418 -0.929 -1.484 305 HE22 GLN 37 HE22 GLN 37 9.377 -2.544 -1.981 306 H ILE 38 H ILE 38 4.001 -0.267 -1.838 307 HA ILE 38 HA ILE 38 3.331 2.256 -0.517 308 HB ILE 38 HB ILE 38 1.965 0.844 -2.803 309 HG12 ILE 38 HG12 ILE 38 3.486 3.454 -2.816 310 HG13 ILE 38 HG13 ILE 38 4.068 1.922 -3.457 311 HG21 ILE 38 HG21 ILE 38 0.329 2.018 -1.400 312 HG22 ILE 38 HG22 ILE 38 0.506 2.858 -2.938 313 HG23 ILE 38 HG23 ILE 38 1.271 3.499 -1.488 314 HD11 ILE 38 HD11 ILE 38 1.694 3.465 -4.438 315 HD12 ILE 38 HD12 ILE 38 2.287 1.930 -5.108 316 HD13 ILE 38 HD13 ILE 38 3.281 3.392 -5.205 317 H VAL 39 H VAL 39 2.110 1.960 1.236 318 HA VAL 39 HA VAL 39 0.751 -0.629 1.466 319 HB VAL 39 HB VAL 39 1.731 1.066 3.764 320 HG11 VAL 39 HG11 VAL 39 0.759 -1.779 3.658 321 HG12 VAL 39 HG12 VAL 39 -0.114 -0.404 4.335 322 HG13 VAL 39 HG13 VAL 39 1.373 -0.963 5.093 323 HG21 VAL 39 HG21 VAL 39 3.677 0.286 2.518 324 HG22 VAL 39 HG22 VAL 39 3.063 -1.367 2.565 325 HG23 VAL 39 HG23 VAL 39 3.553 -0.567 4.058 326 H ALA 40 H ALA 40 -1.311 -0.501 1.567 327 HA ALA 40 HA ALA 40 -2.622 2.072 2.219 328 HB1 ALA 40 HB1 ALA 40 -2.683 1.689 -0.151 329 HB2 ALA 40 HB2 ALA 40 -4.283 1.474 0.563 330 HB3 ALA 40 HB3 ALA 40 -3.329 0.063 0.133 331 H ARG 41 H ARG 41 -4.612 1.899 3.127 332 HA ARG 41 HA ARG 41 -5.219 -0.776 4.144 333 HB2 ARG 41 HB2 ARG 41 -4.433 1.141 5.820 334 HB3 ARG 41 HB3 ARG 41 -6.021 1.727 5.592 335 HG2 ARG 41 HG2 ARG 41 -7.045 -0.301 6.346 336 HG3 ARG 41 HG3 ARG 41 -5.484 -1.110 6.431 337 HD2 ARG 41 HD2 ARG 41 -6.048 -0.544 8.606 338 HD3 ARG 41 HD3 ARG 41 -4.813 0.605 8.078 339 HE ARG 41 HE ARG 41 -7.582 1.413 7.767 340 HH11 ARG 41 HH11 ARG 41 -4.625 1.752 9.689 341 HH12 ARG 41 HH12 ARG 41 -5.181 3.044 10.608 342 HH21 ARG 41 HH21 ARG 41 -8.392 3.156 9.042 343 HH22 ARG 41 HH22 ARG 41 -7.409 3.888 10.235 344 H LEU 42 H LEU 42 -7.251 -1.434 3.861 345 HA LEU 42 HA LEU 42 -8.885 0.098 1.998 346 HB2 LEU 42 HB2 LEU 42 -9.558 -2.508 3.377 347 HB3 LEU 42 HB3 LEU 42 -10.361 -1.852 2.019 348 HG LEU 42 HG LEU 42 -7.587 -2.976 2.096 349 HD11 LEU 42 HD11 LEU 42 -8.517 -4.630 0.559 350 HD12 LEU 42 HD12 LEU 42 -10.104 -3.867 0.730 351 HD13 LEU 42 HD13 LEU 42 -9.328 -4.615 2.122 352 HD21 LEU 42 HD21 LEU 42 -7.499 -2.571 -0.328 353 HD22 LEU 42 HD22 LEU 42 -7.593 -1.065 0.586 354 HD23 LEU 42 HD23 LEU 42 -9.027 -1.692 -0.228 355 H LYS 43 H LYS 43 -10.728 1.117 2.351 356 HA LYS 43 HA LYS 43 -11.140 2.290 4.828 357 HB2 LYS 43 HB2 LYS 43 -12.974 2.086 2.460 358 HB3 LYS 43 HB3 LYS 43 -13.272 3.140 3.826 359 HG2 LYS 43 HG2 LYS 43 -11.142 4.292 3.368 360 HG3 LYS 43 HG3 LYS 43 -10.906 3.252 1.969 361 HD2 LYS 43 HD2 LYS 43 -11.789 5.398 1.275 362 HD3 LYS 43 HD3 LYS 43 -12.996 4.142 0.998 363 HE2 LYS 43 HE2 LYS 43 -14.144 4.761 3.030 364 HE3 LYS 43 HE3 LYS 43 -12.896 5.964 3.381 365 HZ1 LYS 43 HZ1 LYS 43 -14.857 6.983 2.428 366 HZ2 LYS 43 HZ2 LYS 43 -14.757 5.981 1.068 367 HZ3 LYS 43 HZ3 LYS 43 -13.560 7.129 1.364 368 H ASN 44 H ASN 44 -13.348 -0.006 3.261 369 HA ASN 44 HA ASN 44 -14.854 -0.234 5.728 370 HB2 ASN 44 HB2 ASN 44 -16.120 -0.237 3.690 371 HB3 ASN 44 HB3 ASN 44 -15.226 -1.616 3.066 372 HD21 ASN 44 HD21 ASN 44 -17.675 -0.559 5.273 373 HD22 ASN 44 HD22 ASN 44 -18.315 -2.123 5.642 374 H ASN 45 H ASN 45 -12.636 -2.200 3.955 375 HA ASN 45 HA ASN 45 -13.171 -4.508 5.611 376 HB2 ASN 45 HB2 ASN 45 -12.771 -4.684 3.165 377 HB3 ASN 45 HB3 ASN 45 -11.120 -4.155 3.424 378 HD21 ASN 45 HD21 ASN 45 -10.386 -6.069 2.484 379 HD22 ASN 45 HD22 ASN 45 -10.441 -7.565 3.327 380 H ASN 46 H ASN 46 -10.979 -1.881 5.550 381 HA ASN 46 HA ASN 46 -9.401 -1.113 6.974 382 HB2 ASN 46 HB2 ASN 46 -11.173 -1.717 8.651 383 HB3 ASN 46 HB3 ASN 46 -10.393 -3.277 8.861 384 HD21 ASN 46 HD21 ASN 46 -8.524 -3.383 10.117 385 HD22 ASN 46 HD22 ASN 46 -7.953 -2.045 11.051 386 H ARG 47 H ARG 47 -8.960 -4.023 5.428 387 HA ARG 47 HA ARG 47 -6.691 -4.819 6.854 388 HB2 ARG 47 HB2 ARG 47 -7.774 -5.510 4.170 389 HB3 ARG 47 HB3 ARG 47 -6.415 -6.318 4.939 390 HG2 ARG 47 HG2 ARG 47 -7.867 -6.925 6.814 391 HG3 ARG 47 HG3 ARG 47 -9.233 -6.188 5.965 392 HD2 ARG 47 HD2 ARG 47 -8.873 -7.633 4.106 393 HD3 ARG 47 HD3 ARG 47 -7.449 -8.240 4.968 394 HE ARG 47 HE ARG 47 -9.701 -8.599 6.583 395 HH11 ARG 47 HH11 ARG 47 -8.432 -9.927 3.560 396 HH12 ARG 47 HH12 ARG 47 -9.181 -11.446 3.752 397 HH21 ARG 47 HH21 ARG 47 -10.760 -10.715 6.819 398 HH22 ARG 47 HH22 ARG 47 -10.530 -11.896 5.622 399 H GLN 48 H GLN 48 -4.685 -4.390 6.505 400 HA GLN 48 HA GLN 48 -4.036 -2.208 4.752 401 HB2 GLN 48 HB2 GLN 48 -3.545 -2.089 7.147 402 HB3 GLN 48 HB3 GLN 48 -2.588 -3.559 7.029 403 HG2 GLN 48 HG2 GLN 48 -1.050 -2.402 5.633 404 HG3 GLN 48 HG3 GLN 48 -2.134 -1.001 5.679 405 HE21 GLN 48 HE21 GLN 48 0.702 -1.396 6.685 406 HE22 GLN 48 HE22 GLN 48 0.630 -0.873 8.328 407 H VAL 49 H VAL 49 -3.122 -2.666 2.868 408 HA VAL 49 HA VAL 49 -1.613 -5.164 2.513 409 HB VAL 49 HB VAL 49 -2.587 -5.460 0.281 410 HG11 VAL 49 HG11 VAL 49 -4.853 -6.188 0.942 411 HG12 VAL 49 HG12 VAL 49 -4.675 -5.296 2.450 412 HG13 VAL 49 HG13 VAL 49 -3.625 -6.670 2.111 413 HG21 VAL 49 HG21 VAL 49 -3.151 -3.148 -0.243 414 HG22 VAL 49 HG22 VAL 49 -4.417 -3.158 0.994 415 HG23 VAL 49 HG23 VAL 49 -4.560 -4.182 -0.438 416 H CYS 50 H CYS 50 -0.442 -5.036 0.270 417 HA CYS 50 HA CYS 50 0.816 -2.409 0.183 418 HB2 CYS 50 HB2 CYS 50 1.864 -4.966 -1.066 419 HB3 CYS 50 HB3 CYS 50 2.680 -3.458 -0.811 420 H ILE 51 H ILE 51 1.071 -1.339 -1.716 421 HA ILE 51 HA ILE 51 -0.601 -2.247 -3.932 422 HB ILE 51 HB ILE 51 -0.005 0.568 -3.023 423 HG12 ILE 51 HG12 ILE 51 -2.446 -1.138 -2.988 424 HG13 ILE 51 HG13 ILE 51 -1.617 -0.424 -1.626 425 HG21 ILE 51 HG21 ILE 51 -0.077 0.493 -5.435 426 HG22 ILE 51 HG22 ILE 51 -1.527 1.286 -4.801 427 HG23 ILE 51 HG23 ILE 51 -1.602 -0.390 -5.361 428 HD11 ILE 51 HD11 ILE 51 -2.218 1.833 -2.376 429 HD12 ILE 51 HD12 ILE 51 -3.644 0.847 -2.078 430 HD13 ILE 51 HD13 ILE 51 -3.100 1.138 -3.736 431 H ASP 52 H ASP 52 0.136 -2.077 -5.909 432 HA ASP 52 HA ASP 52 2.952 -2.112 -6.337 433 HB2 ASP 52 HB2 ASP 52 1.604 -3.606 -7.370 434 HB3 ASP 52 HB3 ASP 52 0.535 -2.387 -8.099 435 HA PRO 53 HA PRO 53 3.209 2.256 -7.107 436 HB2 PRO 53 HB2 PRO 53 5.757 2.352 -7.980 437 HB3 PRO 53 HB3 PRO 53 5.331 2.073 -6.284 438 HG2 PRO 53 HG2 PRO 53 6.094 0.088 -8.388 439 HG3 PRO 53 HG3 PRO 53 6.644 0.201 -6.705 440 HD2 PRO 53 HD2 PRO 53 4.718 -1.530 -7.495 441 HD3 PRO 53 HD3 PRO 53 4.733 -0.789 -5.879 442 H LYS 54 H LYS 54 2.814 0.021 -9.519 443 HA LYS 54 HA LYS 54 3.372 1.986 -11.603 444 HB2 LYS 54 HB2 LYS 54 2.989 -0.990 -11.780 445 HB3 LYS 54 HB3 LYS 54 3.226 0.063 -13.169 446 HG2 LYS 54 HG2 LYS 54 5.449 0.647 -12.380 447 HG3 LYS 54 HG3 LYS 54 5.208 -0.316 -10.921 448 HD2 LYS 54 HD2 LYS 54 5.193 -1.403 -13.741 449 HD3 LYS 54 HD3 LYS 54 6.571 -1.468 -12.644 450 HE2 LYS 54 HE2 LYS 54 5.276 -2.824 -11.076 451 HE3 LYS 54 HE3 LYS 54 3.871 -2.716 -12.129 452 HZ1 LYS 54 HZ1 LYS 54 6.448 -3.967 -12.871 453 HZ2 LYS 54 HZ2 LYS 54 5.049 -3.901 -13.814 454 HZ3 LYS 54 HZ3 LYS 54 5.079 -4.805 -12.369 455 H LEU 55 H LEU 55 0.806 1.029 -9.703 456 HA LEU 55 HA LEU 55 -1.271 0.745 -11.538 457 HB2 LEU 55 HB2 LEU 55 -1.070 1.731 -8.764 458 HB3 LEU 55 HB3 LEU 55 -2.568 1.940 -9.606 459 HG LEU 55 HG LEU 55 -1.268 -0.758 -9.118 460 HD11 LEU 55 HD11 LEU 55 -3.599 0.584 -7.749 461 HD12 LEU 55 HD12 LEU 55 -1.985 0.446 -7.078 462 HD13 LEU 55 HD13 LEU 55 -2.937 -1.012 -7.362 463 HD21 LEU 55 HD21 LEU 55 -3.513 -1.573 -9.704 464 HD22 LEU 55 HD22 LEU 55 -2.774 -0.706 -11.061 465 HD23 LEU 55 HD23 LEU 55 -4.008 0.059 -10.043 466 H LYS 56 H LYS 56 -2.682 2.168 -12.390 467 HA LYS 56 HA LYS 56 -1.430 4.578 -13.223 468 HB2 LYS 56 HB2 LYS 56 -4.135 3.446 -13.917 469 HB3 LYS 56 HB3 LYS 56 -3.415 4.863 -14.676 470 HG2 LYS 56 HG2 LYS 56 -1.577 3.552 -15.495 471 HG3 LYS 56 HG3 LYS 56 -2.175 2.123 -14.656 472 HD2 LYS 56 HD2 LYS 56 -4.183 2.168 -16.070 473 HD3 LYS 56 HD3 LYS 56 -3.547 3.586 -16.915 474 HE2 LYS 56 HE2 LYS 56 -1.611 2.316 -17.637 475 HE3 LYS 56 HE3 LYS 56 -2.178 0.900 -16.760 476 HZ1 LYS 56 HZ1 LYS 56 -3.544 2.183 -19.063 477 HZ2 LYS 56 HZ2 LYS 56 -4.085 0.811 -18.237 478 HZ3 LYS 56 HZ3 LYS 56 -2.642 0.763 -19.110 479 H TRP 57 H TRP 57 -4.086 3.850 -11.005 480 HA TRP 57 HA TRP 57 -4.646 6.638 -10.657 481 HB2 TRP 57 HB2 TRP 57 -6.135 6.048 -8.842 482 HB3 TRP 57 HB3 TRP 57 -6.353 4.859 -10.105 483 HD1 TRP 57 HD1 TRP 57 -5.634 2.255 -9.453 484 HE1 TRP 57 HE1 TRP 57 -5.283 1.153 -7.231 485 HE3 TRP 57 HE3 TRP 57 -5.182 6.431 -6.507 486 HZ2 TRP 57 HZ2 TRP 57 -4.857 1.868 -4.551 487 HZ3 TRP 57 HZ3 TRP 57 -4.799 6.106 -4.100 488 HH2 TRP 57 HH2 TRP 57 -4.641 3.861 -3.146 489 H ILE 58 H ILE 58 -2.367 4.461 -9.502 490 HA ILE 58 HA ILE 58 -1.493 5.984 -7.261 491 HB ILE 58 HB ILE 58 -0.281 3.702 -8.802 492 HG12 ILE 58 HG12 ILE 58 -2.105 3.146 -7.289 493 HG13 ILE 58 HG13 ILE 58 -0.591 2.456 -6.721 494 HG21 ILE 58 HG21 ILE 58 1.542 3.565 -7.195 495 HG22 ILE 58 HG22 ILE 58 1.032 5.091 -6.481 496 HG23 ILE 58 HG23 ILE 58 1.607 5.048 -8.148 497 HD11 ILE 58 HD11 ILE 58 -0.393 4.257 -5.086 498 HD12 ILE 58 HD12 ILE 58 -1.882 3.337 -4.883 499 HD13 ILE 58 HD13 ILE 58 -1.928 4.932 -5.634 500 H GLN 59 H GLN 59 -0.620 5.810 -10.665 501 HA GLN 59 HA GLN 59 1.603 7.565 -10.476 502 HB2 GLN 59 HB2 GLN 59 -0.294 7.286 -12.809 503 HB3 GLN 59 HB3 GLN 59 1.308 8.005 -12.851 504 HG2 GLN 59 HG2 GLN 59 0.593 5.111 -12.471 505 HG3 GLN 59 HG3 GLN 59 1.471 5.843 -13.816 506 HE21 GLN 59 HE21 GLN 59 1.615 4.668 -10.630 507 HE22 GLN 59 HE22 GLN 59 3.323 4.729 -10.411 508 H GLU 60 H GLU 60 -1.828 8.019 -11.008 509 HA GLU 60 HA GLU 60 -2.061 10.729 -11.369 510 HB2 GLU 60 HB2 GLU 60 -3.695 8.716 -11.475 511 HB3 GLU 60 HB3 GLU 60 -3.849 8.922 -9.754 512 HG2 GLU 60 HG2 GLU 60 -4.535 10.972 -11.809 513 HG3 GLU 60 HG3 GLU 60 -5.679 9.841 -11.098 514 H TYR 61 H TYR 61 -2.078 8.744 -8.428 515 HA TYR 61 HA TYR 61 -2.296 10.799 -6.541 516 HB2 TYR 61 HB2 TYR 61 -2.783 8.434 -6.002 517 HB3 TYR 61 HB3 TYR 61 -1.078 8.059 -6.175 518 HD1 TYR 61 HD1 TYR 61 -3.318 10.341 -4.273 519 HD2 TYR 61 HD2 TYR 61 0.257 8.024 -4.244 520 HE1 TYR 61 HE1 TYR 61 -2.986 10.877 -1.899 521 HE2 TYR 61 HE2 TYR 61 0.591 8.562 -1.885 522 HH TYR 61 HH TYR 61 -0.064 10.227 -0.262 523 H LEU 62 H LEU 62 0.655 9.066 -7.590 524 HA LEU 62 HA LEU 62 2.348 10.558 -5.921 525 HB2 LEU 62 HB2 LEU 62 2.906 8.871 -8.319 526 HB3 LEU 62 HB3 LEU 62 4.174 9.874 -7.652 527 HG LEU 62 HG LEU 62 3.967 8.681 -5.490 528 HD11 LEU 62 HD11 LEU 62 2.007 6.949 -6.912 529 HD12 LEU 62 HD12 LEU 62 1.670 8.061 -5.588 530 HD13 LEU 62 HD13 LEU 62 2.693 6.646 -5.308 531 HD21 LEU 62 HD21 LEU 62 5.576 7.975 -7.121 532 HD22 LEU 62 HD22 LEU 62 4.383 6.907 -7.868 533 HD23 LEU 62 HD23 LEU 62 4.942 6.590 -6.217 534 H GLU 63 H GLU 63 1.534 11.077 -9.328 535 HA GLU 63 HA GLU 63 3.304 13.225 -9.588 536 HB2 GLU 63 HB2 GLU 63 0.814 12.630 -11.186 537 HB3 GLU 63 HB3 GLU 63 2.033 13.818 -11.630 538 HG2 GLU 63 HG2 GLU 63 3.707 12.006 -11.741 539 HG3 GLU 63 HG3 GLU 63 2.433 10.843 -11.389 540 H LYS 64 H LYS 64 -0.164 13.192 -8.707 541 HA LYS 64 HA LYS 64 -0.173 16.043 -8.524 542 HB2 LYS 64 HB2 LYS 64 -2.352 15.904 -7.547 543 HB3 LYS 64 HB3 LYS 64 -2.261 14.791 -8.894 544 HG2 LYS 64 HG2 LYS 64 -1.959 12.945 -7.313 545 HG3 LYS 64 HG3 LYS 64 -2.121 14.090 -5.976 546 HD2 LYS 64 HD2 LYS 64 -4.300 14.732 -6.806 547 HD3 LYS 64 HD3 LYS 64 -4.138 13.568 -8.121 548 HE2 LYS 64 HE2 LYS 64 -3.958 11.749 -6.445 549 HE3 LYS 64 HE3 LYS 64 -4.243 12.933 -5.164 550 HZ1 LYS 64 HZ1 LYS 64 -6.391 13.403 -6.226 551 HZ2 LYS 64 HZ2 LYS 64 -6.270 11.778 -5.756 552 HZ3 LYS 64 HZ3 LYS 64 -6.049 12.189 -7.362 553 H ALA 65 H ALA 65 0.705 13.522 -6.324 554 HA ALA 65 HA ALA 65 0.452 15.049 -3.953 555 HB1 ALA 65 HB1 ALA 65 1.796 13.320 -2.886 556 HB2 ALA 65 HB2 ALA 65 2.243 12.675 -4.464 557 HB3 ALA 65 HB3 ALA 65 0.567 12.596 -3.925 558 H LEU 66 H LEU 66 3.168 14.429 -6.121 559 HA LEU 66 HA LEU 66 4.857 16.115 -4.504 560 HB2 LEU 66 HB2 LEU 66 5.400 14.599 -7.044 561 HB3 LEU 66 HB3 LEU 66 6.555 15.731 -6.388 562 HG LEU 66 HG LEU 66 6.710 14.340 -4.329 563 HD11 LEU 66 HD11 LEU 66 4.539 13.263 -4.358 564 HD12 LEU 66 HD12 LEU 66 5.835 12.068 -4.305 565 HD13 LEU 66 HD13 LEU 66 4.981 12.379 -5.818 566 HD21 LEU 66 HD21 LEU 66 7.989 12.517 -5.337 567 HD22 LEU 66 HD22 LEU 66 8.321 14.067 -6.108 568 HD23 LEU 66 HD23 LEU 66 7.273 12.893 -6.905 569 H ASN 67 H ASN 67 3.036 16.484 -7.462 570 HA ASN 67 HA ASN 67 4.395 18.980 -8.061 571 HB2 ASN 67 HB2 ASN 67 3.751 17.490 -9.895 572 HB3 ASN 67 HB3 ASN 67 2.063 17.651 -9.436 573 HD21 ASN 67 HD21 ASN 67 1.425 18.506 -11.352 574 HD22 ASN 67 HD22 ASN 67 1.854 20.078 -11.906 575 H LYS 68 H LYS 68 1.207 17.968 -6.858 576 HA LYS 68 HA LYS 68 0.393 20.790 -6.669 577 HB2 LYS 68 HB2 LYS 68 -0.975 19.265 -8.121 578 HB3 LYS 68 HB3 LYS 68 -1.285 18.289 -6.707 579 HG2 LYS 68 HG2 LYS 68 -2.412 20.186 -5.661 580 HG3 LYS 68 HG3 LYS 68 -2.133 21.141 -7.119 581 HD2 LYS 68 HD2 LYS 68 -3.550 18.536 -7.002 582 HD3 LYS 68 HD3 LYS 68 -4.390 20.108 -7.024 583 HE2 LYS 68 HE2 LYS 68 -2.616 18.915 -9.191 584 HE3 LYS 68 HE3 LYS 68 -4.364 19.023 -9.247 585 HZ1 LYS 68 HZ1 LYS 68 -4.192 21.428 -9.279 586 HZ2 LYS 68 HZ2 LYS 68 -3.309 20.755 -10.539 587 HZ3 LYS 68 HZ3 LYS 68 -2.505 21.346 -9.200 Start of MODEL 17 1 H LYS 1 H LYS 1 8.175 -17.925 5.626 2 HA LYS 1 HA LYS 1 6.864 -19.574 7.650 3 HB2 LYS 1 HB2 LYS 1 9.462 -19.818 6.175 4 HB3 LYS 1 HB3 LYS 1 9.433 -20.236 7.866 5 HG2 LYS 1 HG2 LYS 1 9.254 -22.199 6.388 6 HG3 LYS 1 HG3 LYS 1 7.880 -22.040 7.455 7 HD2 LYS 1 HD2 LYS 1 7.797 -21.068 4.605 8 HD3 LYS 1 HD3 LYS 1 7.488 -22.752 5.010 9 HE2 LYS 1 HE2 LYS 1 5.658 -21.989 6.524 10 HE3 LYS 1 HE3 LYS 1 5.944 -20.341 5.981 11 HZ1 LYS 1 HZ1 LYS 1 5.093 -22.610 4.273 12 HZ2 LYS 1 HZ2 LYS 1 5.367 -21.039 3.719 13 HZ3 LYS 1 HZ3 LYS 1 4.116 -21.339 4.800 14 HA PRO 2 HA PRO 2 8.416 -16.492 10.446 15 HB2 PRO 2 HB2 PRO 2 9.012 -18.544 12.446 16 HB3 PRO 2 HB3 PRO 2 7.745 -17.315 12.473 17 HG2 PRO 2 HG2 PRO 2 7.221 -19.957 12.193 18 HG3 PRO 2 HG3 PRO 2 6.206 -18.690 11.488 19 HD2 PRO 2 HD2 PRO 2 8.277 -20.405 10.190 20 HD3 PRO 2 HD3 PRO 2 6.692 -19.888 9.580 21 H VAL 3 H VAL 3 10.442 -15.672 11.100 22 HA VAL 3 HA VAL 3 12.744 -17.297 11.357 23 HB VAL 3 HB VAL 3 12.442 -17.390 8.884 24 HG11 VAL 3 HG11 VAL 3 12.823 -15.419 7.491 25 HG12 VAL 3 HG12 VAL 3 12.813 -14.413 8.939 26 HG13 VAL 3 HG13 VAL 3 11.360 -15.294 8.471 27 HG21 VAL 3 HG21 VAL 3 14.896 -15.850 9.749 28 HG22 VAL 3 HG22 VAL 3 14.734 -16.729 8.230 29 HG23 VAL 3 HG23 VAL 3 14.701 -17.602 9.760 30 H SER 4 H SER 4 14.588 -16.024 11.999 31 HA SER 4 HA SER 4 14.024 -13.618 13.338 32 HB2 SER 4 HB2 SER 4 16.696 -14.690 12.406 33 HB3 SER 4 HB3 SER 4 16.450 -13.490 13.672 34 HG SER 4 HG SER 4 16.439 -16.139 13.838 35 H LEU 5 H LEU 5 13.785 -11.659 12.505 36 HA LEU 5 HA LEU 5 13.642 -9.922 11.098 37 HB2 LEU 5 HB2 LEU 5 15.972 -11.191 9.622 38 HB3 LEU 5 HB3 LEU 5 15.345 -9.588 9.298 39 HG LEU 5 HG LEU 5 16.688 -10.468 11.861 40 HD11 LEU 5 HD11 LEU 5 17.672 -8.711 9.622 41 HD12 LEU 5 HD12 LEU 5 18.237 -10.339 9.990 42 HD13 LEU 5 HD13 LEU 5 18.519 -9.027 11.138 43 HD21 LEU 5 HD21 LEU 5 16.656 -8.092 12.438 44 HD22 LEU 5 HD22 LEU 5 15.022 -8.722 12.244 45 HD23 LEU 5 HD23 LEU 5 15.746 -7.740 10.970 46 H SER 6 H SER 6 11.659 -10.329 10.360 47 HA SER 6 HA SER 6 11.174 -12.432 8.545 48 HB2 SER 6 HB2 SER 6 8.816 -11.520 8.634 49 HB3 SER 6 HB3 SER 6 9.509 -12.041 10.167 50 HG SER 6 HG SER 6 8.383 -9.879 9.957 51 H TYR 7 H TYR 7 12.233 -12.095 6.696 52 HA TYR 7 HA TYR 7 12.450 -11.615 4.558 53 HB2 TYR 7 HB2 TYR 7 9.834 -10.131 4.834 54 HB3 TYR 7 HB3 TYR 7 10.631 -10.505 3.308 55 HD1 TYR 7 HD1 TYR 7 10.738 -12.814 2.499 56 HD2 TYR 7 HD2 TYR 7 8.695 -11.861 6.103 57 HE1 TYR 7 HE1 TYR 7 9.658 -15.020 2.464 58 HE2 TYR 7 HE2 TYR 7 7.609 -14.062 6.080 59 HH TYR 7 HH TYR 7 8.645 -16.533 3.967 60 H ARG 8 H ARG 8 13.273 -10.120 3.053 61 HA ARG 8 HA ARG 8 14.697 -8.024 4.274 62 HB2 ARG 8 HB2 ARG 8 15.605 -9.611 2.675 63 HB3 ARG 8 HB3 ARG 8 14.448 -9.073 1.474 64 HG2 ARG 8 HG2 ARG 8 16.543 -8.168 0.983 65 HG3 ARG 8 HG3 ARG 8 15.431 -6.901 1.577 66 HD2 ARG 8 HD2 ARG 8 16.490 -6.829 3.700 67 HD3 ARG 8 HD3 ARG 8 17.438 -8.276 3.358 68 HE ARG 8 HE ARG 8 18.149 -6.492 1.442 69 HH11 ARG 8 HH11 ARG 8 18.130 -6.373 4.986 70 HH12 ARG 8 HH12 ARG 8 19.576 -5.489 5.088 71 HH21 ARG 8 HH21 ARG 8 20.185 -5.252 1.632 72 HH22 ARG 8 HH22 ARG 8 20.732 -4.845 3.180 73 H CYS 9 H CYS 9 11.771 -8.320 2.801 74 HA CYS 9 HA CYS 9 11.586 -5.443 2.303 75 HB2 CYS 9 HB2 CYS 9 10.524 -7.645 0.553 76 HB3 CYS 9 HB3 CYS 9 9.997 -5.971 0.430 77 HA PRO 10 HA PRO 10 7.914 -5.651 4.884 78 HB2 PRO 10 HB2 PRO 10 7.242 -3.302 3.110 79 HB3 PRO 10 HB3 PRO 10 7.153 -3.428 4.874 80 HG2 PRO 10 HG2 PRO 10 9.123 -2.091 3.763 81 HG3 PRO 10 HG3 PRO 10 9.454 -3.177 5.125 82 HD2 PRO 10 HD2 PRO 10 9.952 -3.619 2.199 83 HD3 PRO 10 HD3 PRO 10 10.971 -4.038 3.588 84 H CYS 11 H CYS 11 7.681 -4.897 1.389 85 HA CYS 11 HA CYS 11 5.869 -7.128 1.112 86 HB2 CYS 11 HB2 CYS 11 5.239 -4.331 0.244 87 HB3 CYS 11 HB3 CYS 11 4.532 -5.704 -0.591 88 H ARG 12 H ARG 12 5.879 -8.155 -0.737 89 HA ARG 12 HA ARG 12 7.640 -7.281 -2.930 90 HB2 ARG 12 HB2 ARG 12 7.157 -10.084 -1.892 91 HB3 ARG 12 HB3 ARG 12 7.964 -9.722 -3.405 92 HG2 ARG 12 HG2 ARG 12 9.738 -8.601 -2.220 93 HG3 ARG 12 HG3 ARG 12 8.920 -8.878 -0.686 94 HD2 ARG 12 HD2 ARG 12 9.098 -11.280 -0.990 95 HD3 ARG 12 HD3 ARG 12 9.841 -11.041 -2.569 96 HE ARG 12 HE ARG 12 11.540 -9.745 -1.166 97 HH11 ARG 12 HH11 ARG 12 9.931 -12.769 -0.178 98 HH12 ARG 12 HH12 ARG 12 11.286 -13.361 0.662 99 HH21 ARG 12 HH21 ARG 12 13.399 -10.611 0.035 100 HH22 ARG 12 HH22 ARG 12 13.258 -12.123 0.815 101 H PHE 13 H PHE 13 4.763 -8.926 -1.837 102 HA PHE 13 HA PHE 13 3.670 -8.949 -4.525 103 HB2 PHE 13 HB2 PHE 13 2.652 -10.131 -1.922 104 HB3 PHE 13 HB3 PHE 13 1.840 -10.274 -3.471 105 HD1 PHE 13 HD1 PHE 13 2.767 -11.687 -5.238 106 HD2 PHE 13 HD2 PHE 13 4.587 -11.458 -1.395 107 HE1 PHE 13 HE1 PHE 13 4.044 -13.731 -5.723 108 HE2 PHE 13 HE2 PHE 13 5.867 -13.498 -1.875 109 HZ PHE 13 HZ PHE 13 5.599 -14.641 -4.040 110 H PHE 14 H PHE 14 2.192 -7.492 -5.093 111 HA PHE 14 HA PHE 14 1.038 -5.666 -3.046 112 HB2 PHE 14 HB2 PHE 14 1.806 -4.825 -5.798 113 HB3 PHE 14 HB3 PHE 14 1.501 -3.833 -4.399 114 HD1 PHE 14 HD1 PHE 14 3.272 -4.105 -2.467 115 HD2 PHE 14 HD2 PHE 14 3.937 -5.140 -6.513 116 HE1 PHE 14 HE1 PHE 14 5.699 -3.902 -2.112 117 HE2 PHE 14 HE2 PHE 14 6.352 -4.951 -6.185 118 HZ PHE 14 HZ PHE 14 7.249 -4.327 -3.969 119 H GLU 15 H GLU 15 -0.974 -4.926 -3.602 120 HA GLU 15 HA GLU 15 -2.490 -6.715 -5.209 121 HB2 GLU 15 HB2 GLU 15 -3.145 -4.275 -3.626 122 HB3 GLU 15 HB3 GLU 15 -4.315 -4.893 -4.780 123 HG2 GLU 15 HG2 GLU 15 -4.666 -5.653 -2.465 124 HG3 GLU 15 HG3 GLU 15 -4.501 -6.944 -3.628 125 H SER 16 H SER 16 -3.269 -6.539 -7.114 126 HA SER 16 HA SER 16 -1.989 -4.600 -8.858 127 HB2 SER 16 HB2 SER 16 -2.760 -6.199 -10.656 128 HB3 SER 16 HB3 SER 16 -1.618 -6.860 -9.486 129 HG SER 16 HG SER 16 -3.766 -7.954 -10.136 130 H HIS 17 H HIS 17 -4.912 -4.833 -7.360 131 HA HIS 17 HA HIS 17 -6.071 -2.811 -9.085 132 HB2 HIS 17 HB2 HIS 17 -6.972 -4.948 -10.033 133 HB3 HIS 17 HB3 HIS 17 -7.580 -5.361 -8.432 134 HD1 HIS 17 HD1 HIS 17 -9.793 -4.280 -7.696 135 HD2 HIS 17 HD2 HIS 17 -8.353 -2.810 -11.310 136 HE1 HIS 17 HE1 HIS 17 -11.607 -2.866 -8.611 137 HE2 HIS 17 HE2 HIS 17 -10.608 -1.773 -10.625 138 H VAL 18 H VAL 18 -6.403 -1.268 -7.649 139 HA VAL 18 HA VAL 18 -7.539 -2.046 -5.077 140 HB VAL 18 HB VAL 18 -5.376 0.041 -5.457 141 HG11 VAL 18 HG11 VAL 18 -6.562 -1.088 -2.904 142 HG12 VAL 18 HG12 VAL 18 -6.837 0.524 -3.543 143 HG13 VAL 18 HG13 VAL 18 -5.233 0.063 -2.981 144 HG21 VAL 18 HG21 VAL 18 -3.867 -1.489 -4.263 145 HG22 VAL 18 HG22 VAL 18 -4.427 -2.163 -5.794 146 HG23 VAL 18 HG23 VAL 18 -5.128 -2.720 -4.273 147 H ALA 19 H ALA 19 -8.725 -0.136 -4.030 148 HA ALA 19 HA ALA 19 -9.745 1.614 -6.123 149 HB1 ALA 19 HB1 ALA 19 -11.035 0.661 -3.580 150 HB2 ALA 19 HB2 ALA 19 -11.387 0.071 -5.204 151 HB3 ALA 19 HB3 ALA 19 -11.772 1.735 -4.763 152 H ARG 20 H ARG 20 -9.357 3.670 -5.943 153 HA ARG 20 HA ARG 20 -7.807 4.950 -3.963 154 HB2 ARG 20 HB2 ARG 20 -7.948 5.793 -6.210 155 HB3 ARG 20 HB3 ARG 20 -9.680 5.944 -6.100 156 HG2 ARG 20 HG2 ARG 20 -8.626 8.128 -6.121 157 HG3 ARG 20 HG3 ARG 20 -9.410 7.856 -4.580 158 HD2 ARG 20 HD2 ARG 20 -6.465 7.309 -4.894 159 HD3 ARG 20 HD3 ARG 20 -7.039 8.956 -4.686 160 HE ARG 20 HE ARG 20 -7.957 7.048 -2.728 161 HH11 ARG 20 HH11 ARG 20 -5.497 9.450 -3.619 162 HH12 ARG 20 HH12 ARG 20 -5.026 9.760 -2.009 163 HH21 ARG 20 HH21 ARG 20 -7.283 7.531 -0.465 164 HH22 ARG 20 HH22 ARG 20 -6.056 8.663 -0.208 165 H ALA 21 H ALA 21 -11.234 4.483 -4.314 166 HA ALA 21 HA ALA 21 -11.929 6.292 -2.189 167 HB1 ALA 21 HB1 ALA 21 -13.606 4.254 -3.616 168 HB2 ALA 21 HB2 ALA 21 -13.414 5.942 -4.104 169 HB3 ALA 21 HB3 ALA 21 -14.197 5.546 -2.567 170 H ASN 22 H ASN 22 -10.719 3.099 -2.262 171 HA ASN 22 HA ASN 22 -12.097 2.438 0.259 172 HB2 ASN 22 HB2 ASN 22 -12.162 0.797 -1.617 173 HB3 ASN 22 HB3 ASN 22 -10.412 0.668 -1.486 174 HD21 ASN 22 HD21 ASN 22 -10.400 -1.364 -0.911 175 HD22 ASN 22 HD22 ASN 22 -10.984 -2.023 0.568 176 H VAL 23 H VAL 23 -9.046 3.483 -0.998 177 HA VAL 23 HA VAL 23 -7.670 2.461 1.238 178 HB VAL 23 HB VAL 23 -5.768 3.772 0.364 179 HG11 VAL 23 HG11 VAL 23 -5.467 2.427 -1.679 180 HG12 VAL 23 HG12 VAL 23 -7.185 2.034 -1.640 181 HG13 VAL 23 HG13 VAL 23 -6.127 1.474 -0.351 182 HG21 VAL 23 HG21 VAL 23 -6.941 5.619 -0.680 183 HG22 VAL 23 HG22 VAL 23 -7.663 4.518 -1.852 184 HG23 VAL 23 HG23 VAL 23 -5.925 4.803 -1.866 185 H LYS 24 H LYS 24 -7.819 3.243 3.172 186 HA LYS 24 HA LYS 24 -8.850 5.888 3.641 187 HB2 LYS 24 HB2 LYS 24 -8.742 5.373 6.017 188 HB3 LYS 24 HB3 LYS 24 -9.526 4.068 5.140 189 HG2 LYS 24 HG2 LYS 24 -7.419 2.789 5.286 190 HG3 LYS 24 HG3 LYS 24 -6.748 4.084 6.283 191 HD2 LYS 24 HD2 LYS 24 -9.152 2.360 6.913 192 HD3 LYS 24 HD3 LYS 24 -7.589 2.345 7.732 193 HE2 LYS 24 HE2 LYS 24 -7.983 4.706 8.404 194 HE3 LYS 24 HE3 LYS 24 -9.559 4.607 7.649 195 HZ1 LYS 24 HZ1 LYS 24 -9.718 4.285 10.001 196 HZ2 LYS 24 HZ2 LYS 24 -8.684 2.964 9.951 197 HZ3 LYS 24 HZ3 LYS 24 -10.197 2.879 9.209 198 H HIS 25 H HIS 25 -5.761 4.298 4.035 199 HA HIS 25 HA HIS 25 -4.646 6.952 3.833 200 HB2 HIS 25 HB2 HIS 25 -2.783 6.498 5.386 201 HB3 HIS 25 HB3 HIS 25 -4.297 6.332 6.284 202 HD1 HIS 25 HD1 HIS 25 -2.163 5.378 7.804 203 HD2 HIS 25 HD2 HIS 25 -3.456 3.057 4.650 204 HE1 HIS 25 HE1 HIS 25 -1.214 3.107 8.226 205 HE2 HIS 25 HE2 HIS 25 -1.812 1.766 6.286 206 H LEU 26 H LEU 26 -3.126 7.152 2.369 207 HA LEU 26 HA LEU 26 -2.235 4.658 1.116 208 HB2 LEU 26 HB2 LEU 26 -3.659 6.384 -0.195 209 HB3 LEU 26 HB3 LEU 26 -2.287 7.454 -0.074 210 HG LEU 26 HG LEU 26 -2.478 6.395 -2.291 211 HD11 LEU 26 HD11 LEU 26 -0.235 5.577 -2.552 212 HD12 LEU 26 HD12 LEU 26 -0.049 5.455 -0.795 213 HD13 LEU 26 HD13 LEU 26 -0.283 7.034 -1.560 214 HD21 LEU 26 HD21 LEU 26 -3.509 4.305 -1.555 215 HD22 LEU 26 HD22 LEU 26 -1.968 3.821 -0.845 216 HD23 LEU 26 HD23 LEU 26 -2.096 4.033 -2.587 217 H LYS 27 H LYS 27 -0.046 4.301 1.313 218 HA LYS 27 HA LYS 27 1.601 6.537 2.239 219 HB2 LYS 27 HB2 LYS 27 0.604 5.061 4.105 220 HB3 LYS 27 HB3 LYS 27 1.578 3.778 3.486 221 HG2 LYS 27 HG2 LYS 27 2.726 4.743 5.328 222 HG3 LYS 27 HG3 LYS 27 3.609 5.173 3.859 223 HD2 LYS 27 HD2 LYS 27 3.399 7.083 5.394 224 HD3 LYS 27 HD3 LYS 27 2.569 7.392 3.869 225 HE2 LYS 27 HE2 LYS 27 0.412 6.790 4.939 226 HE3 LYS 27 HE3 LYS 27 1.254 6.469 6.440 227 HZ1 LYS 27 HZ1 LYS 27 1.901 8.832 6.510 228 HZ2 LYS 27 HZ2 LYS 27 0.233 8.632 6.447 229 HZ3 LYS 27 HZ3 LYS 27 1.075 9.109 5.075 230 H ILE 28 H ILE 28 3.409 6.497 0.952 231 HA ILE 28 HA ILE 28 3.979 3.937 -0.316 232 HB ILE 28 HB ILE 28 4.931 6.688 -1.134 233 HG12 ILE 28 HG12 ILE 28 2.903 4.817 -2.349 234 HG13 ILE 28 HG13 ILE 28 2.551 6.353 -1.569 235 HG21 ILE 28 HG21 ILE 28 6.561 4.917 -1.689 236 HG22 ILE 28 HG22 ILE 28 5.791 5.539 -3.154 237 HG23 ILE 28 HG23 ILE 28 5.273 3.994 -2.471 238 HD11 ILE 28 HD11 ILE 28 4.074 5.944 -4.127 239 HD12 ILE 28 HD12 ILE 28 3.702 7.516 -3.395 240 HD13 ILE 28 HD13 ILE 28 2.403 6.464 -3.979 241 H LEU 29 H LEU 29 5.595 2.770 0.337 242 HA LEU 29 HA LEU 29 7.328 3.956 2.324 243 HB2 LEU 29 HB2 LEU 29 6.049 1.972 3.001 244 HB3 LEU 29 HB3 LEU 29 6.766 1.072 1.683 245 HG LEU 29 HG LEU 29 8.916 1.077 2.704 246 HD11 LEU 29 HD11 LEU 29 9.326 2.202 4.863 247 HD12 LEU 29 HD12 LEU 29 7.683 2.860 4.822 248 HD13 LEU 29 HD13 LEU 29 8.860 3.345 3.601 249 HD21 LEU 29 HD21 LEU 29 8.428 -0.113 4.778 250 HD22 LEU 29 HD22 LEU 29 7.338 -0.596 3.478 251 HD23 LEU 29 HD23 LEU 29 6.777 0.503 4.742 252 H ASN 30 H ASN 30 9.215 4.601 1.701 253 HA ASN 30 HA ASN 30 10.403 3.465 -0.712 254 HB2 ASN 30 HB2 ASN 30 11.335 5.803 1.007 255 HB3 ASN 30 HB3 ASN 30 12.053 5.309 -0.513 256 HD21 ASN 30 HD21 ASN 30 8.597 5.508 0.118 257 HD22 ASN 30 HD22 ASN 30 8.268 6.810 -0.941 258 H THR 31 H THR 31 11.670 1.623 -0.326 259 HA THR 31 HA THR 31 12.735 1.495 2.341 260 HB THR 31 HB THR 31 12.284 -0.611 0.261 261 HG1 THR 31 HG1 THR 31 10.468 0.782 1.394 262 HG21 THR 31 HG21 THR 31 12.264 -2.090 2.157 263 HG22 THR 31 HG22 THR 31 12.592 -0.732 3.247 264 HG23 THR 31 HG23 THR 31 13.812 -1.241 2.049 265 HA PRO 32 HA PRO 32 16.580 2.320 0.167 266 HB2 PRO 32 HB2 PRO 32 18.288 1.758 2.218 267 HB3 PRO 32 HB3 PRO 32 17.384 3.276 2.082 268 HG2 PRO 32 HG2 PRO 32 16.779 0.845 3.717 269 HG3 PRO 32 HG3 PRO 32 16.660 2.554 4.168 270 HD2 PRO 32 HD2 PRO 32 14.500 1.101 3.470 271 HD3 PRO 32 HD3 PRO 32 14.632 2.827 3.077 272 H ASN 33 H ASN 33 15.952 -0.679 1.838 273 HA ASN 33 HA ASN 33 18.040 -2.008 0.233 274 HB2 ASN 33 HB2 ASN 33 16.743 -2.939 2.804 275 HB3 ASN 33 HB3 ASN 33 17.921 -3.861 1.890 276 HD21 ASN 33 HD21 ASN 33 17.408 -1.183 3.986 277 HD22 ASN 33 HD22 ASN 33 19.059 -0.829 4.314 278 H CYS 34 H CYS 34 15.078 -1.320 -0.253 279 HA CYS 34 HA CYS 34 14.531 -3.809 -1.588 280 HB2 CYS 34 HB2 CYS 34 13.126 -3.695 0.644 281 HB3 CYS 34 HB3 CYS 34 12.263 -2.413 -0.131 282 H ALA 35 H ALA 35 12.469 -3.277 -2.995 283 HA ALA 35 HA ALA 35 13.236 -0.955 -4.526 284 HB1 ALA 35 HB1 ALA 35 11.520 -1.730 -6.110 285 HB2 ALA 35 HB2 ALA 35 11.045 -2.986 -4.969 286 HB3 ALA 35 HB3 ALA 35 12.649 -3.024 -5.700 287 H LEU 36 H LEU 36 11.078 0.189 -5.420 288 HA LEU 36 HA LEU 36 10.050 1.405 -3.066 289 HB2 LEU 36 HB2 LEU 36 10.711 2.731 -5.055 290 HB3 LEU 36 HB3 LEU 36 9.422 1.985 -5.972 291 HG LEU 36 HG LEU 36 8.995 4.358 -5.148 292 HD11 LEU 36 HD11 LEU 36 7.139 2.898 -5.854 293 HD12 LEU 36 HD12 LEU 36 6.667 3.937 -4.503 294 HD13 LEU 36 HD13 LEU 36 7.068 2.242 -4.217 295 HD21 LEU 36 HD21 LEU 36 8.351 4.605 -2.795 296 HD22 LEU 36 HD22 LEU 36 10.031 4.066 -2.956 297 HD23 LEU 36 HD23 LEU 36 8.783 2.916 -2.515 298 H GLN 37 H GLN 37 8.298 0.845 -2.028 299 HA GLN 37 HA GLN 37 6.224 -0.629 -3.478 300 HB2 GLN 37 HB2 GLN 37 5.912 -1.908 -1.382 301 HB3 GLN 37 HB3 GLN 37 7.453 -2.187 -2.190 302 HG2 GLN 37 HG2 GLN 37 8.201 -0.244 -0.546 303 HG3 GLN 37 HG3 GLN 37 6.899 -0.913 0.427 304 HE21 GLN 37 HE21 GLN 37 9.863 -1.436 -1.074 305 HE22 GLN 37 HE22 GLN 37 10.288 -2.860 -0.238 306 H ILE 38 H ILE 38 4.125 -0.291 -2.826 307 HA ILE 38 HA ILE 38 3.681 2.184 -1.312 308 HB ILE 38 HB ILE 38 1.989 0.797 -3.381 309 HG12 ILE 38 HG12 ILE 38 3.595 3.344 -3.651 310 HG13 ILE 38 HG13 ILE 38 4.034 1.778 -4.319 311 HG21 ILE 38 HG21 ILE 38 0.581 2.053 -1.825 312 HG22 ILE 38 HG22 ILE 38 0.630 2.894 -3.372 313 HG23 ILE 38 HG23 ILE 38 1.586 3.483 -2.018 314 HD11 ILE 38 HD11 ILE 38 1.613 3.392 -5.045 315 HD12 ILE 38 HD12 ILE 38 2.062 1.819 -5.734 316 HD13 ILE 38 HD13 ILE 38 3.086 3.236 -5.995 317 H VAL 39 H VAL 39 2.173 2.108 0.385 318 HA VAL 39 HA VAL 39 0.951 -0.505 0.996 319 HB VAL 39 HB VAL 39 2.118 1.472 2.992 320 HG11 VAL 39 HG11 VAL 39 0.894 -1.247 3.457 321 HG12 VAL 39 HG12 VAL 39 0.198 0.301 3.914 322 HG13 VAL 39 HG13 VAL 39 1.674 -0.258 4.684 323 HG21 VAL 39 HG21 VAL 39 3.899 0.311 1.806 324 HG22 VAL 39 HG22 VAL 39 3.153 -1.245 2.173 325 HG23 VAL 39 HG23 VAL 39 3.805 -0.250 3.477 326 H ALA 40 H ALA 40 -1.194 -0.380 1.625 327 HA ALA 40 HA ALA 40 -2.313 2.232 2.295 328 HB1 ALA 40 HB1 ALA 40 -2.585 1.997 -0.122 329 HB2 ALA 40 HB2 ALA 40 -4.136 2.001 0.726 330 HB3 ALA 40 HB3 ALA 40 -3.451 0.488 0.135 331 H ARG 41 H ARG 41 -4.309 2.093 3.390 332 HA ARG 41 HA ARG 41 -4.972 -0.641 4.231 333 HB2 ARG 41 HB2 ARG 41 -3.970 0.989 6.126 334 HB3 ARG 41 HB3 ARG 41 -5.502 1.727 5.977 335 HG2 ARG 41 HG2 ARG 41 -6.697 0.039 6.886 336 HG3 ARG 41 HG3 ARG 41 -5.536 -1.188 6.372 337 HD2 ARG 41 HD2 ARG 41 -5.487 -0.942 8.788 338 HD3 ARG 41 HD3 ARG 41 -3.967 -0.433 8.072 339 HE ARG 41 HE ARG 41 -5.841 1.689 8.593 340 HH11 ARG 41 HH11 ARG 41 -3.146 -0.213 9.844 341 HH12 ARG 41 HH12 ARG 41 -2.761 0.852 11.099 342 HH21 ARG 41 HH21 ARG 41 -5.363 3.163 10.338 343 HH22 ARG 41 HH22 ARG 41 -4.075 2.834 11.390 344 H LEU 42 H LEU 42 -7.008 -1.205 4.167 345 HA LEU 42 HA LEU 42 -8.644 0.441 2.462 346 HB2 LEU 42 HB2 LEU 42 -9.201 -2.289 3.607 347 HB3 LEU 42 HB3 LEU 42 -10.034 -1.552 2.279 348 HG LEU 42 HG LEU 42 -7.180 -2.491 2.321 349 HD11 LEU 42 HD11 LEU 42 -7.891 -4.021 0.597 350 HD12 LEU 42 HD12 LEU 42 -9.552 -3.459 0.772 351 HD13 LEU 42 HD13 LEU 42 -8.745 -4.279 2.115 352 HD21 LEU 42 HD21 LEU 42 -7.062 -1.845 -0.048 353 HD22 LEU 42 HD22 LEU 42 -7.284 -0.450 1.007 354 HD23 LEU 42 HD23 LEU 42 -8.650 -1.086 0.094 355 H LYS 43 H LYS 43 -10.575 1.340 2.953 356 HA LYS 43 HA LYS 43 -11.150 2.102 5.612 357 HB2 LYS 43 HB2 LYS 43 -12.759 2.297 3.073 358 HB3 LYS 43 HB3 LYS 43 -13.197 3.081 4.573 359 HG2 LYS 43 HG2 LYS 43 -11.223 4.430 4.483 360 HG3 LYS 43 HG3 LYS 43 -10.672 3.608 3.003 361 HD2 LYS 43 HD2 LYS 43 -11.660 5.764 2.500 362 HD3 LYS 43 HD3 LYS 43 -12.704 4.482 1.887 363 HE2 LYS 43 HE2 LYS 43 -14.161 4.708 3.801 364 HE3 LYS 43 HE3 LYS 43 -13.064 5.899 4.505 365 HZ1 LYS 43 HZ1 LYS 43 -14.978 6.900 3.457 366 HZ2 LYS 43 HZ2 LYS 43 -14.584 6.208 1.970 367 HZ3 LYS 43 HZ3 LYS 43 -13.561 7.370 2.667 368 H ASN 44 H ASN 44 -12.908 0.110 3.289 369 HA ASN 44 HA ASN 44 -14.857 -0.625 5.259 370 HB2 ASN 44 HB2 ASN 44 -15.591 -0.279 2.998 371 HB3 ASN 44 HB3 ASN 44 -14.459 -1.472 2.388 372 HD21 ASN 44 HD21 ASN 44 -14.968 -3.654 2.583 373 HD22 ASN 44 HD22 ASN 44 -16.535 -4.200 3.032 374 H ASN 45 H ASN 45 -12.125 -2.210 3.744 375 HA ASN 45 HA ASN 45 -12.821 -4.659 5.173 376 HB2 ASN 45 HB2 ASN 45 -12.264 -4.842 2.782 377 HB3 ASN 45 HB3 ASN 45 -10.650 -4.226 3.108 378 HD21 ASN 45 HD21 ASN 45 -9.811 -6.115 2.180 379 HD22 ASN 45 HD22 ASN 45 -9.824 -7.619 3.024 380 H ASN 46 H ASN 46 -10.643 -2.016 5.489 381 HA ASN 46 HA ASN 46 -9.057 -1.413 7.060 382 HB2 ASN 46 HB2 ASN 46 -10.907 -2.132 8.636 383 HB3 ASN 46 HB3 ASN 46 -10.205 -3.737 8.668 384 HD21 ASN 46 HD21 ASN 46 -8.327 -4.075 9.921 385 HD22 ASN 46 HD22 ASN 46 -7.739 -2.910 11.032 386 H ARG 47 H ARG 47 -8.701 -4.146 5.341 387 HA ARG 47 HA ARG 47 -6.288 -5.061 6.595 388 HB2 ARG 47 HB2 ARG 47 -7.254 -5.424 3.781 389 HB3 ARG 47 HB3 ARG 47 -5.714 -6.027 4.337 390 HG2 ARG 47 HG2 ARG 47 -6.889 -7.450 5.955 391 HG3 ARG 47 HG3 ARG 47 -8.431 -6.862 5.299 392 HD2 ARG 47 HD2 ARG 47 -7.945 -8.909 4.081 393 HD3 ARG 47 HD3 ARG 47 -7.639 -7.439 3.125 394 HE ARG 47 HE ARG 47 -5.301 -8.489 4.396 395 HH11 ARG 47 HH11 ARG 47 -7.255 -8.469 1.398 396 HH12 ARG 47 HH12 ARG 47 -5.986 -8.980 0.404 397 HH21 ARG 47 HH21 ARG 47 -3.546 -9.239 2.962 398 HH22 ARG 47 HH22 ARG 47 -3.859 -9.452 1.309 399 H GLN 48 H GLN 48 -4.222 -4.765 5.852 400 HA GLN 48 HA GLN 48 -3.914 -2.301 4.412 401 HB2 GLN 48 HB2 GLN 48 -3.107 -2.132 6.723 402 HB3 GLN 48 HB3 GLN 48 -2.039 -3.523 6.448 403 HG2 GLN 48 HG2 GLN 48 -0.840 -2.297 4.881 404 HG3 GLN 48 HG3 GLN 48 -2.106 -1.054 4.927 405 HE21 GLN 48 HE21 GLN 48 0.567 -2.468 6.652 406 HE22 GLN 48 HE22 GLN 48 0.774 -1.174 7.784 407 H VAL 49 H VAL 49 -3.160 -2.529 2.555 408 HA VAL 49 HA VAL 49 -1.904 -5.059 1.843 409 HB VAL 49 HB VAL 49 -2.931 -4.806 -0.381 410 HG11 VAL 49 HG11 VAL 49 -5.252 -5.321 0.238 411 HG12 VAL 49 HG12 VAL 49 -4.938 -4.727 1.869 412 HG13 VAL 49 HG13 VAL 49 -4.089 -6.151 1.273 413 HG21 VAL 49 HG21 VAL 49 -3.153 -2.371 -0.454 414 HG22 VAL 49 HG22 VAL 49 -4.376 -2.432 0.814 415 HG23 VAL 49 HG23 VAL 49 -4.709 -3.143 -0.764 416 H CYS 50 H CYS 50 -0.656 -4.759 -0.237 417 HA CYS 50 HA CYS 50 0.587 -2.152 -0.177 418 HB2 CYS 50 HB2 CYS 50 1.988 -4.749 -0.953 419 HB3 CYS 50 HB3 CYS 50 2.620 -3.132 -0.995 420 H ILE 51 H ILE 51 1.332 -1.393 -2.207 421 HA ILE 51 HA ILE 51 -0.565 -2.260 -4.252 422 HB ILE 51 HB ILE 51 0.055 0.594 -3.467 423 HG12 ILE 51 HG12 ILE 51 -2.322 -1.188 -3.140 424 HG13 ILE 51 HG13 ILE 51 -1.344 -0.483 -1.885 425 HG21 ILE 51 HG21 ILE 51 -0.288 0.405 -5.871 426 HG22 ILE 51 HG22 ILE 51 -1.655 1.215 -5.092 427 HG23 ILE 51 HG23 ILE 51 -1.789 -0.475 -5.576 428 HD11 ILE 51 HD11 ILE 51 -2.074 1.766 -2.475 429 HD12 ILE 51 HD12 ILE 51 -3.447 0.738 -2.066 430 HD13 ILE 51 HD13 ILE 51 -3.091 1.107 -3.756 431 H ASP 52 H ASP 52 -0.031 -2.148 -6.288 432 HA ASP 52 HA ASP 52 2.715 -2.225 -7.034 433 HB2 ASP 52 HB2 ASP 52 1.076 -3.696 -7.917 434 HB3 ASP 52 HB3 ASP 52 0.136 -2.374 -8.600 435 HA PRO 53 HA PRO 53 2.975 2.134 -7.850 436 HB2 PRO 53 HB2 PRO 53 5.309 2.100 -9.280 437 HB3 PRO 53 HB3 PRO 53 5.220 2.030 -7.518 438 HG2 PRO 53 HG2 PRO 53 5.646 -0.174 -9.480 439 HG3 PRO 53 HG3 PRO 53 6.355 0.056 -7.881 440 HD2 PRO 53 HD2 PRO 53 4.320 -1.678 -8.375 441 HD3 PRO 53 HD3 PRO 53 4.558 -0.883 -6.806 442 H LYS 54 H LYS 54 2.539 -0.210 -10.413 443 HA LYS 54 HA LYS 54 2.577 1.878 -12.388 444 HB2 LYS 54 HB2 LYS 54 2.262 -1.111 -12.666 445 HB3 LYS 54 HB3 LYS 54 2.049 -0.008 -14.007 446 HG2 LYS 54 HG2 LYS 54 4.259 -0.878 -14.183 447 HG3 LYS 54 HG3 LYS 54 4.378 0.786 -13.606 448 HD2 LYS 54 HD2 LYS 54 5.972 -0.624 -12.440 449 HD3 LYS 54 HD3 LYS 54 4.729 -0.048 -11.328 450 HE2 LYS 54 HE2 LYS 54 5.265 -2.412 -10.947 451 HE3 LYS 54 HE3 LYS 54 3.598 -2.210 -11.460 452 HZ1 LYS 54 HZ1 LYS 54 5.856 -3.095 -13.199 453 HZ2 LYS 54 HZ2 LYS 54 4.265 -2.870 -13.699 454 HZ3 LYS 54 HZ3 LYS 54 4.621 -4.065 -12.584 455 H LEU 55 H LEU 55 0.293 1.116 -10.176 456 HA LEU 55 HA LEU 55 -1.972 0.871 -11.794 457 HB2 LEU 55 HB2 LEU 55 -1.503 1.822 -9.031 458 HB3 LEU 55 HB3 LEU 55 -3.097 1.891 -9.696 459 HG LEU 55 HG LEU 55 -1.429 -0.576 -9.120 460 HD11 LEU 55 HD11 LEU 55 -4.066 0.370 -8.026 461 HD12 LEU 55 HD12 LEU 55 -2.513 0.500 -7.215 462 HD13 LEU 55 HD13 LEU 55 -3.201 -1.097 -7.551 463 HD21 LEU 55 HD21 LEU 55 -3.384 -1.873 -9.836 464 HD22 LEU 55 HD22 LEU 55 -2.694 -0.965 -11.189 465 HD23 LEU 55 HD23 LEU 55 -4.154 -0.392 -10.374 466 H LYS 56 H LYS 56 -3.458 2.345 -12.418 467 HA LYS 56 HA LYS 56 -2.257 4.699 -13.455 468 HB2 LYS 56 HB2 LYS 56 -5.135 3.800 -13.639 469 HB3 LYS 56 HB3 LYS 56 -4.381 5.070 -14.598 470 HG2 LYS 56 HG2 LYS 56 -2.826 3.415 -15.546 471 HG3 LYS 56 HG3 LYS 56 -3.634 2.150 -14.624 472 HD2 LYS 56 HD2 LYS 56 -4.433 2.132 -16.902 473 HD3 LYS 56 HD3 LYS 56 -5.729 2.659 -15.833 474 HE2 LYS 56 HE2 LYS 56 -5.317 4.977 -16.432 475 HE3 LYS 56 HE3 LYS 56 -3.951 4.499 -17.435 476 HZ1 LYS 56 HZ1 LYS 56 -6.786 3.756 -17.892 477 HZ2 LYS 56 HZ2 LYS 56 -5.489 3.266 -18.839 478 HZ3 LYS 56 HZ3 LYS 56 -5.906 4.901 -18.764 479 H TRP 57 H TRP 57 -4.737 4.113 -10.969 480 HA TRP 57 HA TRP 57 -5.035 6.929 -10.553 481 HB2 TRP 57 HB2 TRP 57 -6.393 6.422 -8.590 482 HB3 TRP 57 HB3 TRP 57 -6.858 5.350 -9.894 483 HD1 TRP 57 HD1 TRP 57 -6.412 2.722 -9.511 484 HE1 TRP 57 HE1 TRP 57 -5.942 1.374 -7.410 485 HE3 TRP 57 HE3 TRP 57 -5.159 6.544 -6.374 486 HZ2 TRP 57 HZ2 TRP 57 -5.129 1.852 -4.731 487 HZ3 TRP 57 HZ3 TRP 57 -4.556 6.011 -4.055 488 HH2 TRP 57 HH2 TRP 57 -4.540 3.703 -3.261 489 H ILE 58 H ILE 58 -2.817 4.602 -9.606 490 HA ILE 58 HA ILE 58 -1.684 6.036 -7.431 491 HB ILE 58 HB ILE 58 -0.703 3.760 -9.137 492 HG12 ILE 58 HG12 ILE 58 -2.372 3.202 -7.455 493 HG13 ILE 58 HG13 ILE 58 -0.840 2.462 -7.033 494 HG21 ILE 58 HG21 ILE 58 1.264 3.528 -7.727 495 HG22 ILE 58 HG22 ILE 58 0.905 5.075 -6.956 496 HG23 ILE 58 HG23 ILE 58 1.281 5.021 -8.675 497 HD11 ILE 58 HD11 ILE 58 -0.437 4.253 -5.415 498 HD12 ILE 58 HD12 ILE 58 -1.902 3.337 -5.076 499 HD13 ILE 58 HD13 ILE 58 -2.019 4.944 -5.790 500 H GLN 59 H GLN 59 -1.080 5.871 -10.902 501 HA GLN 59 HA GLN 59 1.123 7.603 -10.932 502 HB2 GLN 59 HB2 GLN 59 -1.051 7.281 -13.019 503 HB3 GLN 59 HB3 GLN 59 0.465 8.129 -13.280 504 HG2 GLN 59 HG2 GLN 59 0.149 5.192 -12.677 505 HG3 GLN 59 HG3 GLN 59 0.546 5.907 -14.239 506 HE21 GLN 59 HE21 GLN 59 1.721 5.083 -11.089 507 HE22 GLN 59 HE22 GLN 59 3.385 5.385 -11.398 508 H GLU 60 H GLU 60 -2.373 8.270 -11.034 509 HA GLU 60 HA GLU 60 -2.340 11.016 -11.168 510 HB2 GLU 60 HB2 GLU 60 -4.221 9.360 -11.446 511 HB3 GLU 60 HB3 GLU 60 -4.219 9.148 -9.714 512 HG2 GLU 60 HG2 GLU 60 -4.762 11.706 -11.131 513 HG3 GLU 60 HG3 GLU 60 -6.002 10.550 -10.639 514 H TYR 61 H TYR 61 -2.157 8.778 -8.403 515 HA TYR 61 HA TYR 61 -2.130 10.704 -6.370 516 HB2 TYR 61 HB2 TYR 61 -2.500 8.316 -5.846 517 HB3 TYR 61 HB3 TYR 61 -0.846 7.961 -6.338 518 HD1 TYR 61 HD1 TYR 61 -2.857 9.810 -3.827 519 HD2 TYR 61 HD2 TYR 61 0.950 8.211 -4.842 520 HE1 TYR 61 HE1 TYR 61 -2.042 10.301 -1.562 521 HE2 TYR 61 HE2 TYR 61 1.763 8.697 -2.591 522 HH TYR 61 HH TYR 61 -0.272 9.545 -0.023 523 H LEU 62 H LEU 62 0.581 9.120 -8.022 524 HA LEU 62 HA LEU 62 2.606 10.526 -6.698 525 HB2 LEU 62 HB2 LEU 62 2.533 9.124 -9.337 526 HB3 LEU 62 HB3 LEU 62 3.936 10.071 -8.895 527 HG LEU 62 HG LEU 62 4.308 8.600 -6.921 528 HD11 LEU 62 HD11 LEU 62 1.995 7.014 -7.907 529 HD12 LEU 62 HD12 LEU 62 2.060 7.983 -6.437 530 HD13 LEU 62 HD13 LEU 62 3.111 6.575 -6.610 531 HD21 LEU 62 HD21 LEU 62 5.358 8.114 -9.020 532 HD22 LEU 62 HD22 LEU 62 3.973 7.128 -9.493 533 HD23 LEU 62 HD23 LEU 62 4.984 6.635 -8.119 534 H GLU 63 H GLU 63 0.683 11.404 -9.476 535 HA GLU 63 HA GLU 63 2.080 13.708 -10.170 536 HB2 GLU 63 HB2 GLU 63 -0.834 13.022 -10.515 537 HB3 GLU 63 HB3 GLU 63 -0.102 14.479 -11.170 538 HG2 GLU 63 HG2 GLU 63 0.690 11.654 -11.827 539 HG3 GLU 63 HG3 GLU 63 -0.259 12.727 -12.855 540 H LYS 64 H LYS 64 -0.699 13.348 -7.963 541 HA LYS 64 HA LYS 64 -0.499 16.118 -7.216 542 HB2 LYS 64 HB2 LYS 64 -2.042 15.663 -5.394 543 HB3 LYS 64 HB3 LYS 64 -2.630 15.065 -6.930 544 HG2 LYS 64 HG2 LYS 64 -2.319 12.844 -6.309 545 HG3 LYS 64 HG3 LYS 64 -1.229 13.280 -4.992 546 HD2 LYS 64 HD2 LYS 64 -3.379 12.712 -4.028 547 HD3 LYS 64 HD3 LYS 64 -2.969 14.441 -3.926 548 HE2 LYS 64 HE2 LYS 64 -5.352 14.122 -4.466 549 HE3 LYS 64 HE3 LYS 64 -4.464 14.980 -5.718 550 HZ1 LYS 64 HZ1 LYS 64 -6.017 13.333 -6.541 551 HZ2 LYS 64 HZ2 LYS 64 -5.191 12.098 -5.802 552 HZ3 LYS 64 HZ3 LYS 64 -4.509 12.971 -7.098 553 H ALA 65 H ALA 65 0.777 13.182 -5.816 554 HA ALA 65 HA ALA 65 1.697 14.239 -3.405 555 HB1 ALA 65 HB1 ALA 65 3.220 12.346 -3.305 556 HB2 ALA 65 HB2 ALA 65 2.980 12.044 -5.027 557 HB3 ALA 65 HB3 ALA 65 1.641 11.835 -3.900 558 H LEU 66 H LEU 66 3.250 14.191 -6.580 559 HA LEU 66 HA LEU 66 5.492 15.628 -5.444 560 HB2 LEU 66 HB2 LEU 66 5.011 14.732 -8.276 561 HB3 LEU 66 HB3 LEU 66 6.468 15.513 -7.704 562 HG LEU 66 HG LEU 66 5.460 12.783 -6.903 563 HD11 LEU 66 HD11 LEU 66 6.438 12.883 -9.133 564 HD12 LEU 66 HD12 LEU 66 7.466 11.982 -8.017 565 HD13 LEU 66 HD13 LEU 66 7.886 13.632 -8.462 566 HD21 LEU 66 HD21 LEU 66 6.537 13.866 -5.001 567 HD22 LEU 66 HD22 LEU 66 7.935 14.259 -6.003 568 HD23 LEU 66 HD23 LEU 66 7.552 12.577 -5.640 569 H ASN 67 H ASN 67 2.759 16.292 -7.665 570 HA ASN 67 HA ASN 67 3.385 19.127 -7.355 571 HB2 ASN 67 HB2 ASN 67 2.996 17.787 -10.007 572 HB3 ASN 67 HB3 ASN 67 2.999 19.526 -9.759 573 HD21 ASN 67 HD21 ASN 67 4.904 16.671 -10.029 574 HD22 ASN 67 HD22 ASN 67 6.454 17.427 -10.011 575 H LYS 68 H LYS 68 1.329 18.143 -6.021 576 HA LYS 68 HA LYS 68 -1.184 18.172 -7.252 577 HB2 LYS 68 HB2 LYS 68 -0.824 17.562 -4.882 578 HB3 LYS 68 HB3 LYS 68 -0.458 19.238 -4.517 579 HG2 LYS 68 HG2 LYS 68 -2.743 19.868 -5.138 580 HG3 LYS 68 HG3 LYS 68 -3.107 18.173 -5.481 581 HD2 LYS 68 HD2 LYS 68 -2.605 17.601 -3.158 582 HD3 LYS 68 HD3 LYS 68 -2.231 19.293 -2.826 583 HE2 LYS 68 HE2 LYS 68 -4.528 19.901 -3.402 584 HE3 LYS 68 HE3 LYS 68 -4.896 18.205 -3.714 585 HZ1 LYS 68 HZ1 LYS 68 -4.322 17.742 -1.377 586 HZ2 LYS 68 HZ2 LYS 68 -5.625 18.789 -1.502 587 HZ3 LYS 68 HZ3 LYS 68 -4.097 19.379 -1.099 Start of MODEL 18 1 H LYS 1 H LYS 1 5.746 -26.231 5.599 2 HA LYS 1 HA LYS 1 4.678 -27.000 8.217 3 HB2 LYS 1 HB2 LYS 1 7.339 -27.876 7.012 4 HB3 LYS 1 HB3 LYS 1 6.834 -28.159 8.664 5 HG2 LYS 1 HG2 LYS 1 5.058 -29.540 7.863 6 HG3 LYS 1 HG3 LYS 1 5.555 -29.209 6.195 7 HD2 LYS 1 HD2 LYS 1 7.771 -30.099 6.673 8 HD3 LYS 1 HD3 LYS 1 7.270 -30.449 8.329 9 HE2 LYS 1 HE2 LYS 1 5.544 -31.902 7.468 10 HE3 LYS 1 HE3 LYS 1 6.108 -31.553 5.827 11 HZ1 LYS 1 HZ1 LYS 1 7.743 -32.828 7.951 12 HZ2 LYS 1 HZ2 LYS 1 8.243 -32.526 6.368 13 HZ3 LYS 1 HZ3 LYS 1 7.028 -33.664 6.682 14 HA PRO 2 HA PRO 2 7.966 -23.837 9.215 15 HB2 PRO 2 HB2 PRO 2 9.737 -22.938 7.473 16 HB3 PRO 2 HB3 PRO 2 9.865 -24.590 8.094 17 HG2 PRO 2 HG2 PRO 2 8.866 -23.644 5.448 18 HG3 PRO 2 HG3 PRO 2 9.809 -25.092 5.844 19 HD2 PRO 2 HD2 PRO 2 6.973 -24.975 5.530 20 HD3 PRO 2 HD3 PRO 2 7.906 -26.312 6.206 21 H VAL 3 H VAL 3 8.135 -21.543 9.203 22 HA VAL 3 HA VAL 3 6.268 -20.221 7.422 23 HB VAL 3 HB VAL 3 6.050 -19.678 9.824 24 HG11 VAL 3 HG11 VAL 3 7.786 -18.434 11.042 25 HG12 VAL 3 HG12 VAL 3 8.891 -18.707 9.689 26 HG13 VAL 3 HG13 VAL 3 8.272 -20.071 10.609 27 HG21 VAL 3 HG21 VAL 3 6.174 -17.216 9.727 28 HG22 VAL 3 HG22 VAL 3 5.452 -17.916 8.280 29 HG23 VAL 3 HG23 VAL 3 7.122 -17.343 8.243 30 H SER 4 H SER 4 6.944 -18.984 5.732 31 HA SER 4 HA SER 4 9.698 -19.273 5.086 32 HB2 SER 4 HB2 SER 4 9.057 -18.160 2.929 33 HB3 SER 4 HB3 SER 4 8.121 -19.609 3.300 34 HG SER 4 HG SER 4 7.036 -17.337 4.319 35 H LEU 5 H LEU 5 10.894 -18.061 6.450 36 HA LEU 5 HA LEU 5 10.305 -15.233 6.540 37 HB2 LEU 5 HB2 LEU 5 12.330 -16.805 8.120 38 HB3 LEU 5 HB3 LEU 5 12.043 -15.085 8.286 39 HG LEU 5 HG LEU 5 10.070 -17.272 8.906 40 HD11 LEU 5 HD11 LEU 5 11.885 -17.131 10.504 41 HD12 LEU 5 HD12 LEU 5 10.366 -16.597 11.212 42 HD13 LEU 5 HD13 LEU 5 11.578 -15.408 10.723 43 HD21 LEU 5 HD21 LEU 5 9.832 -14.276 9.211 44 HD22 LEU 5 HD22 LEU 5 8.682 -15.459 9.838 45 HD23 LEU 5 HD23 LEU 5 8.910 -15.297 8.101 46 H SER 6 H SER 6 10.768 -15.009 4.404 47 HA SER 6 HA SER 6 13.510 -14.180 4.068 48 HB2 SER 6 HB2 SER 6 11.994 -15.780 1.986 49 HB3 SER 6 HB3 SER 6 13.579 -15.038 1.752 50 HG SER 6 HG SER 6 13.858 -16.418 3.896 51 H TYR 7 H TYR 7 12.609 -12.188 4.565 52 HA TYR 7 HA TYR 7 11.292 -10.985 2.277 53 HB2 TYR 7 HB2 TYR 7 10.602 -10.418 5.178 54 HB3 TYR 7 HB3 TYR 7 9.968 -9.548 3.792 55 HD1 TYR 7 HD1 TYR 7 8.472 -10.814 2.164 56 HD2 TYR 7 HD2 TYR 7 9.596 -12.394 5.951 57 HE1 TYR 7 HE1 TYR 7 6.591 -12.408 2.061 58 HE2 TYR 7 HE2 TYR 7 7.729 -13.979 5.850 59 HH TYR 7 HH TYR 7 5.594 -14.170 4.770 60 H ARG 8 H ARG 8 13.124 -10.021 1.557 61 HA ARG 8 HA ARG 8 14.667 -8.359 3.363 62 HB2 ARG 8 HB2 ARG 8 16.000 -7.740 1.356 63 HB3 ARG 8 HB3 ARG 8 15.923 -9.476 1.595 64 HG2 ARG 8 HG2 ARG 8 14.276 -9.682 -0.166 65 HG3 ARG 8 HG3 ARG 8 14.218 -7.927 -0.342 66 HD2 ARG 8 HD2 ARG 8 16.678 -9.613 -0.783 67 HD3 ARG 8 HD3 ARG 8 15.617 -9.056 -2.071 68 HE ARG 8 HE ARG 8 16.457 -6.875 -0.513 69 HH11 ARG 8 HH11 ARG 8 17.800 -9.175 -2.890 70 HH12 ARG 8 HH12 ARG 8 18.953 -8.049 -3.474 71 HH21 ARG 8 HH21 ARG 8 18.039 -5.398 -1.388 72 HH22 ARG 8 HH22 ARG 8 19.091 -5.889 -2.617 73 H CYS 9 H CYS 9 12.022 -8.227 1.467 74 HA CYS 9 HA CYS 9 11.996 -5.303 1.429 75 HB2 CYS 9 HB2 CYS 9 10.348 -7.239 -0.227 76 HB3 CYS 9 HB3 CYS 9 10.326 -5.493 -0.348 77 HA PRO 10 HA PRO 10 8.959 -5.464 4.707 78 HB2 PRO 10 HB2 PRO 10 7.805 -3.161 3.215 79 HB3 PRO 10 HB3 PRO 10 8.218 -3.299 4.930 80 HG2 PRO 10 HG2 PRO 10 9.792 -1.936 3.303 81 HG3 PRO 10 HG3 PRO 10 10.486 -3.004 4.540 82 HD2 PRO 10 HD2 PRO 10 10.228 -3.429 1.596 83 HD3 PRO 10 HD3 PRO 10 11.543 -3.871 2.707 84 H CYS 11 H CYS 11 7.953 -5.337 1.345 85 HA CYS 11 HA CYS 11 5.490 -6.671 2.208 86 HB2 CYS 11 HB2 CYS 11 5.075 -4.293 1.445 87 HB3 CYS 11 HB3 CYS 11 5.639 -4.794 -0.135 88 H ARG 12 H ARG 12 4.659 -8.249 0.866 89 HA ARG 12 HA ARG 12 6.657 -9.484 -0.847 90 HB2 ARG 12 HB2 ARG 12 5.817 -10.856 0.960 91 HB3 ARG 12 HB3 ARG 12 4.167 -10.601 0.439 92 HG2 ARG 12 HG2 ARG 12 4.894 -12.827 -0.189 93 HG3 ARG 12 HG3 ARG 12 4.630 -11.862 -1.634 94 HD2 ARG 12 HD2 ARG 12 7.321 -12.377 -0.366 95 HD3 ARG 12 HD3 ARG 12 6.678 -13.294 -1.728 96 HE ARG 12 HE ARG 12 6.606 -10.662 -2.505 97 HH11 ARG 12 HH11 ARG 12 9.112 -12.900 -1.466 98 HH12 ARG 12 HH12 ARG 12 10.365 -12.133 -2.343 99 HH21 ARG 12 HH21 ARG 12 8.324 -9.552 -3.669 100 HH22 ARG 12 HH22 ARG 12 9.898 -10.194 -3.598 101 H PHE 13 H PHE 13 3.221 -8.490 -0.919 102 HA PHE 13 HA PHE 13 3.415 -8.697 -3.832 103 HB2 PHE 13 HB2 PHE 13 1.207 -9.698 -4.000 104 HB3 PHE 13 HB3 PHE 13 2.228 -10.708 -2.993 105 HD1 PHE 13 HD1 PHE 13 1.878 -10.703 -0.507 106 HD2 PHE 13 HD2 PHE 13 -0.789 -8.738 -3.176 107 HE1 PHE 13 HE1 PHE 13 0.159 -10.637 1.253 108 HE2 PHE 13 HE2 PHE 13 -2.498 -8.665 -1.429 109 HZ PHE 13 HZ PHE 13 -2.031 -9.614 0.793 110 H PHE 14 H PHE 14 2.177 -7.246 -4.962 111 HA PHE 14 HA PHE 14 0.950 -5.054 -3.361 112 HB2 PHE 14 HB2 PHE 14 2.006 -4.923 -6.167 113 HB3 PHE 14 HB3 PHE 14 1.545 -3.568 -5.148 114 HD1 PHE 14 HD1 PHE 14 3.015 -3.974 -2.706 115 HD2 PHE 14 HD2 PHE 14 4.224 -4.771 -6.694 116 HE1 PHE 14 HE1 PHE 14 5.307 -3.711 -2.040 117 HE2 PHE 14 HE2 PHE 14 6.575 -4.515 -6.032 118 HZ PHE 14 HZ PHE 14 7.135 -3.984 -3.706 119 H GLU 15 H GLU 15 -1.117 -4.441 -3.993 120 HA GLU 15 HA GLU 15 -2.343 -6.419 -5.634 121 HB2 GLU 15 HB2 GLU 15 -3.518 -4.205 -4.005 122 HB3 GLU 15 HB3 GLU 15 -4.515 -5.119 -5.136 123 HG2 GLU 15 HG2 GLU 15 -3.794 -7.156 -4.040 124 HG3 GLU 15 HG3 GLU 15 -2.969 -6.211 -2.789 125 H SER 16 H SER 16 -2.885 -6.378 -7.644 126 HA SER 16 HA SER 16 -2.036 -4.152 -9.247 127 HB2 SER 16 HB2 SER 16 -3.327 -6.764 -10.054 128 HB3 SER 16 HB3 SER 16 -2.550 -5.609 -11.136 129 HG SER 16 HG SER 16 -1.309 -7.470 -10.408 130 H HIS 17 H HIS 17 -4.850 -4.866 -7.652 131 HA HIS 17 HA HIS 17 -6.261 -2.892 -9.229 132 HB2 HIS 17 HB2 HIS 17 -6.946 -5.142 -10.143 133 HB3 HIS 17 HB3 HIS 17 -7.515 -5.568 -8.536 134 HD1 HIS 17 HD1 HIS 17 -8.707 -4.298 -11.658 135 HD2 HIS 17 HD2 HIS 17 -9.680 -3.636 -7.676 136 HE1 HIS 17 HE1 HIS 17 -10.991 -3.313 -11.686 137 HE2 HIS 17 HE2 HIS 17 -11.668 -3.339 -9.276 138 H VAL 18 H VAL 18 -6.348 -1.452 -7.630 139 HA VAL 18 HA VAL 18 -7.558 -2.308 -5.096 140 HB VAL 18 HB VAL 18 -5.515 -0.108 -5.498 141 HG11 VAL 18 HG11 VAL 18 -6.745 -1.200 -2.938 142 HG12 VAL 18 HG12 VAL 18 -7.049 0.382 -3.638 143 HG13 VAL 18 HG13 VAL 18 -5.450 -0.007 -3.004 144 HG21 VAL 18 HG21 VAL 18 -3.968 -1.567 -4.194 145 HG22 VAL 18 HG22 VAL 18 -4.455 -2.285 -5.727 146 HG23 VAL 18 HG23 VAL 18 -5.171 -2.841 -4.223 147 H ALA 19 H ALA 19 -9.162 -0.839 -4.255 148 HA ALA 19 HA ALA 19 -10.157 0.938 -6.294 149 HB1 ALA 19 HB1 ALA 19 -11.421 -0.163 -3.785 150 HB2 ALA 19 HB2 ALA 19 -11.697 -0.746 -5.429 151 HB3 ALA 19 HB3 ALA 19 -12.229 0.866 -4.967 152 H ARG 20 H ARG 20 -9.925 3.044 -6.061 153 HA ARG 20 HA ARG 20 -8.619 4.123 -3.788 154 HB2 ARG 20 HB2 ARG 20 -8.305 5.077 -6.004 155 HB3 ARG 20 HB3 ARG 20 -10.000 5.499 -6.089 156 HG2 ARG 20 HG2 ARG 20 -9.769 7.144 -4.373 157 HG3 ARG 20 HG3 ARG 20 -8.122 6.623 -4.024 158 HD2 ARG 20 HD2 ARG 20 -7.361 7.321 -6.074 159 HD3 ARG 20 HD3 ARG 20 -8.980 7.723 -6.699 160 HE ARG 20 HE ARG 20 -8.574 9.192 -4.388 161 HH11 ARG 20 HH11 ARG 20 -7.152 9.078 -7.624 162 HH12 ARG 20 HH12 ARG 20 -6.616 10.696 -7.597 163 HH21 ARG 20 HH21 ARG 20 -7.854 11.420 -4.374 164 HH22 ARG 20 HH22 ARG 20 -7.011 12.039 -5.712 165 H ALA 21 H ALA 21 -11.816 3.486 -4.600 166 HA ALA 21 HA ALA 21 -13.032 5.233 -2.681 167 HB1 ALA 21 HB1 ALA 21 -14.133 2.752 -4.005 168 HB2 ALA 21 HB2 ALA 21 -14.283 4.396 -4.622 169 HB3 ALA 21 HB3 ALA 21 -15.066 3.947 -3.106 170 H ASN 22 H ASN 22 -11.148 2.405 -2.416 171 HA ASN 22 HA ASN 22 -12.303 1.841 0.222 172 HB2 ASN 22 HB2 ASN 22 -12.484 0.025 -1.474 173 HB3 ASN 22 HB3 ASN 22 -10.732 0.009 -1.570 174 HD21 ASN 22 HD21 ASN 22 -10.550 -1.967 -0.880 175 HD22 ASN 22 HD22 ASN 22 -10.831 -2.562 0.698 176 H VAL 23 H VAL 23 -9.903 3.607 -1.042 177 HA VAL 23 HA VAL 23 -7.848 2.531 0.731 178 HB VAL 23 HB VAL 23 -7.102 3.226 -1.533 179 HG11 VAL 23 HG11 VAL 23 -6.920 5.585 -2.133 180 HG12 VAL 23 HG12 VAL 23 -7.794 6.025 -0.667 181 HG13 VAL 23 HG13 VAL 23 -8.603 5.099 -1.928 182 HG21 VAL 23 HG21 VAL 23 -5.137 4.476 -0.828 183 HG22 VAL 23 HG22 VAL 23 -5.563 3.215 0.337 184 HG23 VAL 23 HG23 VAL 23 -5.956 4.893 0.684 185 H LYS 24 H LYS 24 -7.576 3.108 2.630 186 HA LYS 24 HA LYS 24 -8.946 5.379 3.780 187 HB2 LYS 24 HB2 LYS 24 -8.883 3.265 5.007 188 HB3 LYS 24 HB3 LYS 24 -7.131 3.283 4.983 189 HG2 LYS 24 HG2 LYS 24 -7.972 3.922 7.176 190 HG3 LYS 24 HG3 LYS 24 -7.127 5.267 6.414 191 HD2 LYS 24 HD2 LYS 24 -9.219 6.238 5.737 192 HD3 LYS 24 HD3 LYS 24 -10.112 4.879 6.438 193 HE2 LYS 24 HE2 LYS 24 -9.229 5.485 8.658 194 HE3 LYS 24 HE3 LYS 24 -8.369 6.838 7.940 195 HZ1 LYS 24 HZ1 LYS 24 -10.477 7.787 7.277 196 HZ2 LYS 24 HZ2 LYS 24 -10.442 7.539 8.947 197 HZ3 LYS 24 HZ3 LYS 24 -11.314 6.489 7.952 198 H HIS 25 H HIS 25 -5.568 4.241 3.822 199 HA HIS 25 HA HIS 25 -4.800 6.999 3.497 200 HB2 HIS 25 HB2 HIS 25 -3.081 6.933 5.230 201 HB3 HIS 25 HB3 HIS 25 -4.678 6.725 5.972 202 HD1 HIS 25 HD1 HIS 25 -2.154 6.208 7.513 203 HD2 HIS 25 HD2 HIS 25 -3.931 3.325 5.162 204 HE1 HIS 25 HE1 HIS 25 -1.357 4.010 8.449 205 HE2 HIS 25 HE2 HIS 25 -2.546 2.263 7.120 206 H LEU 26 H LEU 26 -2.989 7.364 2.410 207 HA LEU 26 HA LEU 26 -1.779 5.044 1.131 208 HB2 LEU 26 HB2 LEU 26 -1.631 8.002 0.507 209 HB3 LEU 26 HB3 LEU 26 -0.661 6.799 -0.307 210 HG LEU 26 HG LEU 26 -2.423 7.458 -1.737 211 HD11 LEU 26 HD11 LEU 26 -3.543 5.362 -2.203 212 HD12 LEU 26 HD12 LEU 26 -3.003 4.732 -0.643 213 HD13 LEU 26 HD13 LEU 26 -1.824 5.162 -1.884 214 HD21 LEU 26 HD21 LEU 26 -4.016 8.355 -0.134 215 HD22 LEU 26 HD22 LEU 26 -4.368 6.731 0.460 216 HD23 LEU 26 HD23 LEU 26 -4.809 7.182 -1.186 217 H LYS 27 H LYS 27 0.198 4.442 1.637 218 HA LYS 27 HA LYS 27 1.914 6.303 3.100 219 HB2 LYS 27 HB2 LYS 27 0.679 4.667 4.574 220 HB3 LYS 27 HB3 LYS 27 1.410 3.359 3.713 221 HG2 LYS 27 HG2 LYS 27 2.627 3.636 5.725 222 HG3 LYS 27 HG3 LYS 27 3.652 4.274 4.440 223 HD2 LYS 27 HD2 LYS 27 3.663 5.755 6.386 224 HD3 LYS 27 HD3 LYS 27 2.934 6.555 4.996 225 HE2 LYS 27 HE2 LYS 27 0.678 6.075 5.899 226 HE3 LYS 27 HE3 LYS 27 1.400 5.226 7.247 227 HZ1 LYS 27 HZ1 LYS 27 2.397 7.273 7.989 228 HZ2 LYS 27 HZ2 LYS 27 0.733 7.501 7.785 229 HZ3 LYS 27 HZ3 LYS 27 1.815 8.096 6.642 230 H ILE 28 H ILE 28 3.796 6.356 1.853 231 HA ILE 28 HA ILE 28 4.273 3.960 0.239 232 HB ILE 28 HB ILE 28 5.109 6.793 -0.482 233 HG12 ILE 28 HG12 ILE 28 3.041 4.948 -1.682 234 HG13 ILE 28 HG13 ILE 28 2.692 6.412 -0.774 235 HG21 ILE 28 HG21 ILE 28 6.711 5.067 -1.234 236 HG22 ILE 28 HG22 ILE 28 5.850 5.784 -2.603 237 HG23 ILE 28 HG23 ILE 28 5.377 4.192 -2.000 238 HD11 ILE 28 HD11 ILE 28 4.024 6.206 -3.468 239 HD12 ILE 28 HD12 ILE 28 3.772 7.724 -2.587 240 HD13 ILE 28 HD13 ILE 28 2.396 6.766 -3.149 241 H LEU 29 H LEU 29 6.062 2.875 0.520 242 HA LEU 29 HA LEU 29 7.987 4.012 2.404 243 HB2 LEU 29 HB2 LEU 29 6.631 2.230 3.333 244 HB3 LEU 29 HB3 LEU 29 7.086 1.178 2.012 245 HG LEU 29 HG LEU 29 9.417 1.204 2.801 246 HD11 LEU 29 HD11 LEU 29 9.927 2.104 5.024 247 HD12 LEU 29 HD12 LEU 29 8.312 2.807 5.105 248 HD13 LEU 29 HD13 LEU 29 9.466 3.371 3.891 249 HD21 LEU 29 HD21 LEU 29 9.049 -0.165 4.772 250 HD22 LEU 29 HD22 LEU 29 7.892 -0.550 3.503 251 HD23 LEU 29 HD23 LEU 29 7.392 0.426 4.886 252 H ASN 30 H ASN 30 9.791 4.533 1.343 253 HA ASN 30 HA ASN 30 10.753 2.820 -0.788 254 HB2 ASN 30 HB2 ASN 30 12.656 4.432 -0.986 255 HB3 ASN 30 HB3 ASN 30 11.099 5.222 -1.148 256 HD21 ASN 30 HD21 ASN 30 10.446 6.643 0.408 257 HD22 ASN 30 HD22 ASN 30 11.476 7.287 1.608 258 H THR 31 H THR 31 12.428 1.436 -0.603 259 HA THR 31 HA THR 31 12.936 0.703 2.180 260 HB THR 31 HB THR 31 13.209 -0.954 -0.323 261 HG1 THR 31 HG1 THR 31 11.086 0.046 0.918 262 HG21 THR 31 HG21 THR 31 12.925 -2.828 1.250 263 HG22 THR 31 HG22 THR 31 12.864 -1.677 2.579 264 HG23 THR 31 HG23 THR 31 14.360 -1.870 1.661 265 HA PRO 32 HA PRO 32 17.396 1.592 1.978 266 HB2 PRO 32 HB2 PRO 32 17.383 -1.077 3.309 267 HB3 PRO 32 HB3 PRO 32 18.330 0.325 3.770 268 HG2 PRO 32 HG2 PRO 32 16.218 -0.199 5.171 269 HG3 PRO 32 HG3 PRO 32 16.396 1.464 4.572 270 HD2 PRO 32 HD2 PRO 32 14.657 -0.736 3.544 271 HD3 PRO 32 HD3 PRO 32 14.285 0.988 3.750 272 H ASN 33 H ASN 33 16.339 -1.739 1.412 273 HA ASN 33 HA ASN 33 18.530 -1.993 -0.543 274 HB2 ASN 33 HB2 ASN 33 18.704 -4.363 -0.006 275 HB3 ASN 33 HB3 ASN 33 18.911 -3.379 1.435 276 HD21 ASN 33 HD21 ASN 33 17.251 -3.369 3.046 277 HD22 ASN 33 HD22 ASN 33 16.069 -4.591 3.075 278 H CYS 34 H CYS 34 15.133 -1.999 -0.331 279 HA CYS 34 HA CYS 34 14.958 -3.438 -2.848 280 HB2 CYS 34 HB2 CYS 34 12.871 -2.928 -0.719 281 HB3 CYS 34 HB3 CYS 34 12.545 -3.697 -2.250 282 H ALA 35 H ALA 35 12.914 -2.433 -4.081 283 HA ALA 35 HA ALA 35 13.818 0.220 -4.526 284 HB1 ALA 35 HB1 ALA 35 12.387 0.248 -6.458 285 HB2 ALA 35 HB2 ALA 35 11.585 -1.225 -5.910 286 HB3 ALA 35 HB3 ALA 35 13.280 -1.274 -6.392 287 H LEU 36 H LEU 36 10.410 -0.645 -4.478 288 HA LEU 36 HA LEU 36 9.895 1.509 -2.600 289 HB2 LEU 36 HB2 LEU 36 10.343 2.581 -4.814 290 HB3 LEU 36 HB3 LEU 36 9.034 1.666 -5.501 291 HG LEU 36 HG LEU 36 8.488 4.038 -5.144 292 HD11 LEU 36 HD11 LEU 36 6.659 2.484 -5.154 293 HD12 LEU 36 HD12 LEU 36 6.351 3.803 -4.026 294 HD13 LEU 36 HD13 LEU 36 6.838 2.216 -3.421 295 HD21 LEU 36 HD21 LEU 36 8.196 4.932 -2.902 296 HD22 LEU 36 HD22 LEU 36 9.867 4.460 -3.196 297 HD23 LEU 36 HD23 LEU 36 8.819 3.435 -2.210 298 H GLN 37 H GLN 37 8.249 0.787 -1.358 299 HA GLN 37 HA GLN 37 6.190 -0.862 -2.648 300 HB2 GLN 37 HB2 GLN 37 7.097 -0.905 0.239 301 HB3 GLN 37 HB3 GLN 37 5.573 -1.579 -0.278 302 HG2 GLN 37 HG2 GLN 37 6.933 -3.438 -0.116 303 HG3 GLN 37 HG3 GLN 37 7.061 -3.046 -1.831 304 HE21 GLN 37 HE21 GLN 37 8.936 -0.926 -1.318 305 HE22 GLN 37 HE22 GLN 37 10.389 -1.753 -0.838 306 H ILE 38 H ILE 38 4.176 -0.061 -2.662 307 HA ILE 38 HA ILE 38 3.676 2.317 -1.048 308 HB ILE 38 HB ILE 38 2.063 1.081 -3.296 309 HG12 ILE 38 HG12 ILE 38 3.737 3.598 -3.307 310 HG13 ILE 38 HG13 ILE 38 4.171 2.077 -4.077 311 HG21 ILE 38 HG21 ILE 38 0.602 2.243 -1.743 312 HG22 ILE 38 HG22 ILE 38 0.718 3.155 -3.244 313 HG23 ILE 38 HG23 ILE 38 1.601 3.683 -1.813 314 HD11 ILE 38 HD11 ILE 38 1.823 3.814 -4.783 315 HD12 ILE 38 HD12 ILE 38 2.255 2.284 -5.564 316 HD13 ILE 38 HD13 ILE 38 3.338 3.681 -5.677 317 H VAL 39 H VAL 39 2.252 2.184 0.606 318 HA VAL 39 HA VAL 39 0.890 -0.373 1.003 319 HB VAL 39 HB VAL 39 1.984 1.516 3.119 320 HG11 VAL 39 HG11 VAL 39 0.678 -1.186 3.412 321 HG12 VAL 39 HG12 VAL 39 -0.019 0.355 3.878 322 HG13 VAL 39 HG13 VAL 39 1.402 -0.255 4.718 323 HG21 VAL 39 HG21 VAL 39 3.799 0.337 1.990 324 HG22 VAL 39 HG22 VAL 39 2.992 -1.203 2.277 325 HG23 VAL 39 HG23 VAL 39 3.601 -0.262 3.637 326 H ALA 40 H ALA 40 -1.238 -0.234 1.504 327 HA ALA 40 HA ALA 40 -2.443 2.399 1.991 328 HB1 ALA 40 HB1 ALA 40 -2.573 2.058 -0.411 329 HB2 ALA 40 HB2 ALA 40 -4.168 1.894 0.338 330 HB3 ALA 40 HB3 ALA 40 -3.270 0.465 -0.148 331 H ARG 41 H ARG 41 -4.129 2.264 3.297 332 HA ARG 41 HA ARG 41 -4.702 -0.440 4.179 333 HB2 ARG 41 HB2 ARG 41 -4.148 1.432 5.908 334 HB3 ARG 41 HB3 ARG 41 -5.731 2.019 5.581 335 HG2 ARG 41 HG2 ARG 41 -6.789 0.016 6.304 336 HG3 ARG 41 HG3 ARG 41 -5.249 -0.831 6.392 337 HD2 ARG 41 HD2 ARG 41 -5.815 -0.306 8.573 338 HD3 ARG 41 HD3 ARG 41 -4.558 0.823 8.063 339 HE ARG 41 HE ARG 41 -7.320 1.709 7.804 340 HH11 ARG 41 HH11 ARG 41 -4.316 1.930 9.680 341 HH12 ARG 41 HH12 ARG 41 -4.886 3.160 10.698 342 HH21 ARG 41 HH21 ARG 41 -8.099 3.367 9.208 343 HH22 ARG 41 HH22 ARG 41 -7.091 4.049 10.395 344 H LEU 42 H LEU 42 -6.834 -1.155 4.068 345 HA LEU 42 HA LEU 42 -8.483 0.323 2.230 346 HB2 LEU 42 HB2 LEU 42 -8.960 -2.339 3.557 347 HB3 LEU 42 HB3 LEU 42 -9.859 -1.678 2.212 348 HG LEU 42 HG LEU 42 -6.967 -2.512 2.168 349 HD11 LEU 42 HD11 LEU 42 -7.698 -4.198 0.600 350 HD12 LEU 42 HD12 LEU 42 -9.371 -3.709 0.871 351 HD13 LEU 42 HD13 LEU 42 -8.416 -4.385 2.198 352 HD21 LEU 42 HD21 LEU 42 -7.035 -2.046 -0.233 353 HD22 LEU 42 HD22 LEU 42 -7.280 -0.593 0.742 354 HD23 LEU 42 HD23 LEU 42 -8.659 -1.371 -0.038 355 H LYS 43 H LYS 43 -10.525 1.094 2.663 356 HA LYS 43 HA LYS 43 -10.962 2.068 5.319 357 HB2 LYS 43 HB2 LYS 43 -12.759 2.160 2.897 358 HB3 LYS 43 HB3 LYS 43 -12.991 3.060 4.388 359 HG2 LYS 43 HG2 LYS 43 -10.905 4.261 3.977 360 HG3 LYS 43 HG3 LYS 43 -10.684 3.360 2.479 361 HD2 LYS 43 HD2 LYS 43 -11.613 5.576 2.032 362 HD3 LYS 43 HD3 LYS 43 -12.773 4.322 1.601 363 HE2 LYS 43 HE2 LYS 43 -13.992 4.669 3.634 364 HE3 LYS 43 HE3 LYS 43 -12.754 5.791 4.212 365 HZ1 LYS 43 HZ1 LYS 43 -14.722 6.929 3.378 366 HZ2 LYS 43 HZ2 LYS 43 -14.554 6.217 1.863 367 HZ3 LYS 43 HZ3 LYS 43 -13.399 7.319 2.432 368 H ASN 44 H ASN 44 -12.874 0.026 3.153 369 HA ASN 44 HA ASN 44 -14.728 -0.632 5.239 370 HB2 ASN 44 HB2 ASN 44 -15.523 -0.378 2.985 371 HB3 ASN 44 HB3 ASN 44 -14.419 -1.617 2.413 372 HD21 ASN 44 HD21 ASN 44 -17.357 -0.985 4.173 373 HD22 ASN 44 HD22 ASN 44 -17.950 -2.609 4.113 374 H ASN 45 H ASN 45 -12.087 -2.233 3.647 375 HA ASN 45 HA ASN 45 -12.662 -4.697 5.088 376 HB2 ASN 45 HB2 ASN 45 -11.913 -4.756 2.694 377 HB3 ASN 45 HB3 ASN 45 -10.360 -4.112 3.200 378 HD21 ASN 45 HD21 ASN 45 -9.246 -5.962 2.422 379 HD22 ASN 45 HD22 ASN 45 -9.358 -7.462 3.228 380 H ASN 46 H ASN 46 -10.550 -1.964 5.292 381 HA ASN 46 HA ASN 46 -9.047 -1.182 6.788 382 HB2 ASN 46 HB2 ASN 46 -10.891 -1.743 8.414 383 HB3 ASN 46 HB3 ASN 46 -10.134 -3.302 8.690 384 HD21 ASN 46 HD21 ASN 46 -8.311 -3.392 10.036 385 HD22 ASN 46 HD22 ASN 46 -7.753 -2.040 10.943 386 H ARG 47 H ARG 47 -8.596 -4.096 5.375 387 HA ARG 47 HA ARG 47 -6.224 -4.811 6.684 388 HB2 ARG 47 HB2 ARG 47 -7.449 -5.495 4.067 389 HB3 ARG 47 HB3 ARG 47 -5.756 -5.851 4.338 390 HG2 ARG 47 HG2 ARG 47 -7.319 -7.707 4.755 391 HG3 ARG 47 HG3 ARG 47 -6.272 -7.302 6.130 392 HD2 ARG 47 HD2 ARG 47 -8.036 -6.210 7.189 393 HD3 ARG 47 HD3 ARG 47 -9.047 -6.319 5.765 394 HE ARG 47 HE ARG 47 -8.153 -8.865 6.740 395 HH11 ARG 47 HH11 ARG 47 -10.687 -6.425 7.228 396 HH12 ARG 47 HH12 ARG 47 -11.799 -7.536 7.892 397 HH21 ARG 47 HH21 ARG 47 -9.715 -10.365 7.635 398 HH22 ARG 47 HH22 ARG 47 -11.237 -9.769 8.150 399 H GLN 48 H GLN 48 -4.388 -4.233 6.418 400 HA GLN 48 HA GLN 48 -3.746 -1.884 4.815 401 HB2 GLN 48 HB2 GLN 48 -2.986 -2.084 7.141 402 HB3 GLN 48 HB3 GLN 48 -2.099 -3.558 6.732 403 HG2 GLN 48 HG2 GLN 48 -0.392 -2.137 6.532 404 HG3 GLN 48 HG3 GLN 48 -1.198 -1.811 4.990 405 HE21 GLN 48 HE21 GLN 48 0.514 -0.232 6.840 406 HE22 GLN 48 HE22 GLN 48 -0.304 1.252 7.081 407 H VAL 49 H VAL 49 -3.088 -2.277 2.761 408 HA VAL 49 HA VAL 49 -1.745 -4.826 2.216 409 HB VAL 49 HB VAL 49 -2.881 -5.005 0.074 410 HG11 VAL 49 HG11 VAL 49 -5.158 -5.498 0.818 411 HG12 VAL 49 HG12 VAL 49 -4.846 -4.624 2.320 412 HG13 VAL 49 HG13 VAL 49 -3.943 -6.093 1.951 413 HG21 VAL 49 HG21 VAL 49 -3.215 -2.648 -0.442 414 HG22 VAL 49 HG22 VAL 49 -4.415 -2.504 0.848 415 HG23 VAL 49 HG23 VAL 49 -4.732 -3.524 -0.564 416 H CYS 50 H CYS 50 -0.944 -4.523 -0.290 417 HA CYS 50 HA CYS 50 0.515 -1.997 -0.204 418 HB2 CYS 50 HB2 CYS 50 1.527 -4.557 -1.445 419 HB3 CYS 50 HB3 CYS 50 2.336 -3.016 -1.227 420 H ILE 51 H ILE 51 1.096 -1.125 -2.194 421 HA ILE 51 HA ILE 51 -0.697 -1.831 -4.380 422 HB ILE 51 HB ILE 51 0.027 0.951 -3.434 423 HG12 ILE 51 HG12 ILE 51 -2.475 -0.673 -3.343 424 HG13 ILE 51 HG13 ILE 51 -1.600 0.023 -2.010 425 HG21 ILE 51 HG21 ILE 51 -0.085 0.894 -5.835 426 HG22 ILE 51 HG22 ILE 51 -1.532 1.703 -5.192 427 HG23 ILE 51 HG23 ILE 51 -1.608 0.020 -5.735 428 HD11 ILE 51 HD11 ILE 51 -2.172 2.295 -2.724 429 HD12 ILE 51 HD12 ILE 51 -3.620 1.335 -2.431 430 HD13 ILE 51 HD13 ILE 51 -3.084 1.636 -4.084 431 H ASP 52 H ASP 52 0.103 -1.630 -6.407 432 HA ASP 52 HA ASP 52 2.986 -1.612 -6.678 433 HB2 ASP 52 HB2 ASP 52 1.368 -3.201 -7.780 434 HB3 ASP 52 HB3 ASP 52 0.884 -1.847 -8.807 435 HA PRO 53 HA PRO 53 2.932 2.729 -7.675 436 HB2 PRO 53 HB2 PRO 53 5.338 2.898 -8.960 437 HB3 PRO 53 HB3 PRO 53 5.153 2.818 -7.205 438 HG2 PRO 53 HG2 PRO 53 5.796 0.628 -9.139 439 HG3 PRO 53 HG3 PRO 53 6.515 0.964 -7.554 440 HD2 PRO 53 HD2 PRO 53 4.660 -0.958 -7.897 441 HD3 PRO 53 HD3 PRO 53 4.743 0.012 -6.410 442 H LYS 54 H LYS 54 2.667 0.345 -10.107 443 HA LYS 54 HA LYS 54 2.471 2.494 -12.055 444 HB2 LYS 54 HB2 LYS 54 2.430 0.689 -13.861 445 HB3 LYS 54 HB3 LYS 54 3.953 0.911 -12.994 446 HG2 LYS 54 HG2 LYS 54 3.585 -1.368 -13.417 447 HG3 LYS 54 HG3 LYS 54 3.331 -1.101 -11.697 448 HD2 LYS 54 HD2 LYS 54 0.906 -1.071 -12.090 449 HD3 LYS 54 HD3 LYS 54 1.196 -1.386 -13.805 450 HE2 LYS 54 HE2 LYS 54 2.074 -3.080 -11.533 451 HE3 LYS 54 HE3 LYS 54 0.656 -3.421 -12.546 452 HZ1 LYS 54 HZ1 LYS 54 3.517 -3.387 -13.390 453 HZ2 LYS 54 HZ2 LYS 54 2.246 -3.561 -14.455 454 HZ3 LYS 54 HZ3 LYS 54 2.528 -4.747 -13.274 455 H LEU 55 H LEU 55 0.302 1.407 -10.047 456 HA LEU 55 HA LEU 55 -1.888 0.832 -11.696 457 HB2 LEU 55 HB2 LEU 55 -1.579 1.968 -8.984 458 HB3 LEU 55 HB3 LEU 55 -3.155 1.911 -9.679 459 HG LEU 55 HG LEU 55 -1.372 -0.427 -8.950 460 HD11 LEU 55 HD11 LEU 55 -4.095 0.415 -8.005 461 HD12 LEU 55 HD12 LEU 55 -2.609 0.800 -7.149 462 HD13 LEU 55 HD13 LEU 55 -3.122 -0.889 -7.335 463 HD21 LEU 55 HD21 LEU 55 -3.247 -1.823 -9.600 464 HD22 LEU 55 HD22 LEU 55 -2.628 -0.941 -11.010 465 HD23 LEU 55 HD23 LEU 55 -4.097 -0.401 -10.178 466 H LYS 56 H LYS 56 -3.561 2.131 -12.402 467 HA LYS 56 HA LYS 56 -2.729 4.451 -13.747 468 HB2 LYS 56 HB2 LYS 56 -4.534 2.988 -14.561 469 HB3 LYS 56 HB3 LYS 56 -5.546 3.520 -13.227 470 HG2 LYS 56 HG2 LYS 56 -5.421 5.837 -14.102 471 HG3 LYS 56 HG3 LYS 56 -4.500 5.235 -15.476 472 HD2 LYS 56 HD2 LYS 56 -6.817 5.495 -16.118 473 HD3 LYS 56 HD3 LYS 56 -6.422 3.779 -16.067 474 HE2 LYS 56 HE2 LYS 56 -7.473 3.590 -13.864 475 HE3 LYS 56 HE3 LYS 56 -7.817 5.320 -13.879 476 HZ1 LYS 56 HZ1 LYS 56 -9.757 4.062 -14.507 477 HZ2 LYS 56 HZ2 LYS 56 -8.917 3.305 -15.763 478 HZ3 LYS 56 HZ3 LYS 56 -9.211 4.943 -15.837 479 H TRP 57 H TRP 57 -4.943 4.101 -10.958 480 HA TRP 57 HA TRP 57 -5.193 6.943 -10.770 481 HB2 TRP 57 HB2 TRP 57 -6.546 6.592 -8.782 482 HB3 TRP 57 HB3 TRP 57 -7.039 5.462 -10.028 483 HD1 TRP 57 HD1 TRP 57 -6.582 2.783 -9.470 484 HE1 TRP 57 HE1 TRP 57 -6.202 1.614 -7.272 485 HE3 TRP 57 HE3 TRP 57 -5.439 6.838 -6.579 486 HZ2 TRP 57 HZ2 TRP 57 -5.516 2.239 -4.688 487 HZ3 TRP 57 HZ3 TRP 57 -4.941 6.459 -4.210 488 HH2 TRP 57 HH2 TRP 57 -4.980 4.256 -3.268 489 H ILE 58 H ILE 58 -2.978 4.692 -9.659 490 HA ILE 58 HA ILE 58 -1.897 6.238 -7.533 491 HB ILE 58 HB ILE 58 -0.831 3.905 -9.110 492 HG12 ILE 58 HG12 ILE 58 -2.566 3.367 -7.531 493 HG13 ILE 58 HG13 ILE 58 -1.028 2.718 -6.984 494 HG21 ILE 58 HG21 ILE 58 1.048 3.734 -7.582 495 HG22 ILE 58 HG22 ILE 58 0.630 5.294 -6.874 496 HG23 ILE 58 HG23 ILE 58 1.126 5.203 -8.563 497 HD11 ILE 58 HD11 ILE 58 -0.802 4.577 -5.403 498 HD12 ILE 58 HD12 ILE 58 -2.275 3.649 -5.122 499 HD13 ILE 58 HD13 ILE 58 -2.369 5.205 -5.924 500 H GLN 59 H GLN 59 -1.388 6.067 -10.985 501 HA GLN 59 HA GLN 59 0.940 7.657 -11.101 502 HB2 GLN 59 HB2 GLN 59 -1.350 7.685 -13.094 503 HB3 GLN 59 HB3 GLN 59 0.290 8.225 -13.395 504 HG2 GLN 59 HG2 GLN 59 -0.665 5.403 -12.963 505 HG3 GLN 59 HG3 GLN 59 -0.022 6.108 -14.443 506 HE21 GLN 59 HE21 GLN 59 0.672 4.794 -11.390 507 HE22 GLN 59 HE22 GLN 59 2.383 4.657 -11.534 508 H GLU 60 H GLU 60 -2.454 8.358 -10.865 509 HA GLU 60 HA GLU 60 -2.323 11.162 -11.075 510 HB2 GLU 60 HB2 GLU 60 -4.378 9.449 -9.670 511 HB3 GLU 60 HB3 GLU 60 -4.600 11.124 -10.157 512 HG2 GLU 60 HG2 GLU 60 -4.322 10.449 -12.500 513 HG3 GLU 60 HG3 GLU 60 -4.183 8.769 -11.982 514 H TYR 61 H TYR 61 -2.332 8.953 -8.290 515 HA TYR 61 HA TYR 61 -2.187 10.929 -6.297 516 HB2 TYR 61 HB2 TYR 61 -2.707 8.582 -5.731 517 HB3 TYR 61 HB3 TYR 61 -1.076 8.108 -6.197 518 HD1 TYR 61 HD1 TYR 61 -2.947 10.220 -3.769 519 HD2 TYR 61 HD2 TYR 61 0.673 8.148 -4.609 520 HE1 TYR 61 HE1 TYR 61 -2.160 10.667 -1.478 521 HE2 TYR 61 HE2 TYR 61 1.463 8.597 -2.321 522 HH TYR 61 HH TYR 61 -0.605 9.760 0.115 523 H LEU 62 H LEU 62 0.373 9.341 -8.127 524 HA LEU 62 HA LEU 62 2.477 10.607 -6.744 525 HB2 LEU 62 HB2 LEU 62 2.327 9.132 -9.320 526 HB3 LEU 62 HB3 LEU 62 3.759 10.074 -8.968 527 HG LEU 62 HG LEU 62 4.189 8.712 -6.959 528 HD11 LEU 62 HD11 LEU 62 1.743 7.180 -7.702 529 HD12 LEU 62 HD12 LEU 62 1.950 8.212 -6.293 530 HD13 LEU 62 HD13 LEU 62 2.915 6.743 -6.449 531 HD21 LEU 62 HD21 LEU 62 5.091 8.031 -9.084 532 HD22 LEU 62 HD22 LEU 62 3.646 7.067 -9.393 533 HD23 LEU 62 HD23 LEU 62 4.720 6.635 -8.053 534 H GLU 63 H GLU 63 0.652 11.537 -9.562 535 HA GLU 63 HA GLU 63 2.183 13.796 -10.364 536 HB2 GLU 63 HB2 GLU 63 -0.824 13.425 -10.471 537 HB3 GLU 63 HB3 GLU 63 0.052 14.709 -11.282 538 HG2 GLU 63 HG2 GLU 63 1.174 13.076 -12.683 539 HG3 GLU 63 HG3 GLU 63 0.338 11.770 -11.832 540 H LYS 64 H LYS 64 -0.517 13.417 -8.270 541 HA LYS 64 HA LYS 64 -0.974 15.910 -7.177 542 HB2 LYS 64 HB2 LYS 64 -2.348 13.980 -6.866 543 HB3 LYS 64 HB3 LYS 64 -1.063 13.139 -6.031 544 HG2 LYS 64 HG2 LYS 64 -2.366 13.741 -4.376 545 HG3 LYS 64 HG3 LYS 64 -1.185 15.000 -4.365 546 HD2 LYS 64 HD2 LYS 64 -2.598 16.547 -5.600 547 HD3 LYS 64 HD3 LYS 64 -3.852 15.308 -5.729 548 HE2 LYS 64 HE2 LYS 64 -4.115 15.309 -3.312 549 HE3 LYS 64 HE3 LYS 64 -2.847 16.522 -3.169 550 HZ1 LYS 64 HZ1 LYS 64 -5.453 16.903 -4.547 551 HZ2 LYS 64 HZ2 LYS 64 -4.244 18.058 -4.431 552 HZ3 LYS 64 HZ3 LYS 64 -5.025 17.521 -3.046 553 H ALA 65 H ALA 65 0.721 13.290 -5.650 554 HA ALA 65 HA ALA 65 1.907 14.662 -3.531 555 HB1 ALA 65 HB1 ALA 65 3.282 12.720 -3.133 556 HB2 ALA 65 HB2 ALA 65 2.980 12.139 -4.771 557 HB3 ALA 65 HB3 ALA 65 1.656 12.223 -3.611 558 H LEU 66 H LEU 66 3.307 14.148 -6.754 559 HA LEU 66 HA LEU 66 5.834 15.228 -5.908 560 HB2 LEU 66 HB2 LEU 66 4.813 14.630 -8.685 561 HB3 LEU 66 HB3 LEU 66 6.447 15.129 -8.306 562 HG LEU 66 HG LEU 66 5.152 12.557 -7.395 563 HD11 LEU 66 HD11 LEU 66 5.604 12.561 -9.777 564 HD12 LEU 66 HD12 LEU 66 6.711 11.478 -8.931 565 HD13 LEU 66 HD13 LEU 66 7.272 13.059 -9.472 566 HD21 LEU 66 HD21 LEU 66 6.787 13.356 -5.772 567 HD22 LEU 66 HD22 LEU 66 7.982 13.563 -7.055 568 HD23 LEU 66 HD23 LEU 66 7.406 11.952 -6.632 569 H ASN 67 H ASN 67 2.996 16.443 -7.563 570 HA ASN 67 HA ASN 67 4.165 18.899 -8.324 571 HB2 ASN 67 HB2 ASN 67 2.189 18.143 -9.486 572 HB3 ASN 67 HB3 ASN 67 1.262 18.125 -7.994 573 HD21 ASN 67 HD21 ASN 67 0.399 20.026 -7.224 574 HD22 ASN 67 HD22 ASN 67 0.438 21.507 -8.081 575 H LYS 68 H LYS 68 2.384 17.927 -5.427 576 HA LYS 68 HA LYS 68 3.311 20.425 -4.252 577 HB2 LYS 68 HB2 LYS 68 1.016 20.793 -5.086 578 HB3 LYS 68 HB3 LYS 68 0.449 19.449 -4.121 579 HG2 LYS 68 HG2 LYS 68 0.976 20.664 -2.082 580 HG3 LYS 68 HG3 LYS 68 1.642 21.997 -3.035 581 HD2 LYS 68 HD2 LYS 68 -0.542 22.342 -4.087 582 HD3 LYS 68 HD3 LYS 68 -1.205 21.009 -3.145 583 HE2 LYS 68 HE2 LYS 68 -0.085 23.582 -2.029 584 HE3 LYS 68 HE3 LYS 68 -1.791 23.193 -2.194 585 HZ1 LYS 68 HZ1 LYS 68 0.156 21.746 -0.478 586 HZ2 LYS 68 HZ2 LYS 68 -1.484 21.358 -0.653 587 HZ3 LYS 68 HZ3 LYS 68 -1.046 22.805 0.049 Start of MODEL 19 1 H LYS 1 H LYS 1 21.446 -6.847 13.652 2 HA LYS 1 HA LYS 1 23.988 -8.165 14.310 3 HB2 LYS 1 HB2 LYS 1 21.531 -9.222 12.855 4 HB3 LYS 1 HB3 LYS 1 23.030 -10.087 13.153 5 HG2 LYS 1 HG2 LYS 1 22.589 -10.100 15.482 6 HG3 LYS 1 HG3 LYS 1 21.139 -9.116 15.232 7 HD2 LYS 1 HD2 LYS 1 20.222 -10.853 13.781 8 HD3 LYS 1 HD3 LYS 1 21.649 -11.841 14.078 9 HE2 LYS 1 HE2 LYS 1 21.164 -11.889 16.406 10 HE3 LYS 1 HE3 LYS 1 19.769 -10.830 16.143 11 HZ1 LYS 1 HZ1 LYS 1 20.056 -13.596 15.048 12 HZ2 LYS 1 HZ2 LYS 1 18.770 -12.545 14.762 13 HZ3 LYS 1 HZ3 LYS 1 19.035 -13.135 16.303 14 HA PRO 2 HA PRO 2 25.187 -6.311 10.393 15 HB2 PRO 2 HB2 PRO 2 27.192 -8.463 10.236 16 HB3 PRO 2 HB3 PRO 2 27.433 -6.718 10.316 17 HG2 PRO 2 HG2 PRO 2 28.018 -8.278 12.402 18 HG3 PRO 2 HG3 PRO 2 27.308 -6.670 12.623 19 HD2 PRO 2 HD2 PRO 2 25.989 -9.350 12.728 20 HD3 PRO 2 HD3 PRO 2 25.812 -7.946 13.812 21 H VAL 3 H VAL 3 24.182 -9.553 10.802 22 HA VAL 3 HA VAL 3 24.462 -10.380 8.118 23 HB VAL 3 HB VAL 3 22.971 -12.301 8.677 24 HG11 VAL 3 HG11 VAL 3 25.135 -11.739 10.686 25 HG12 VAL 3 HG12 VAL 3 25.354 -12.445 9.085 26 HG13 VAL 3 HG13 VAL 3 24.460 -13.326 10.325 27 HG21 VAL 3 HG21 VAL 3 22.823 -11.025 11.411 28 HG22 VAL 3 HG22 VAL 3 22.223 -12.632 11.001 29 HG23 VAL 3 HG23 VAL 3 21.477 -11.200 10.287 30 H SER 4 H SER 4 23.633 -9.303 6.594 31 HA SER 4 HA SER 4 22.236 -8.319 5.185 32 HB2 SER 4 HB2 SER 4 20.120 -9.996 6.551 33 HB3 SER 4 HB3 SER 4 19.974 -9.242 4.960 34 HG SER 4 HG SER 4 22.190 -10.562 4.858 35 H LEU 5 H LEU 5 22.611 -6.304 6.073 36 HA LEU 5 HA LEU 5 21.095 -5.231 8.197 37 HB2 LEU 5 HB2 LEU 5 22.749 -3.852 6.101 38 HB3 LEU 5 HB3 LEU 5 22.041 -3.047 7.481 39 HG LEU 5 HG LEU 5 24.121 -5.233 7.621 40 HD11 LEU 5 HD11 LEU 5 25.015 -3.159 6.729 41 HD12 LEU 5 HD12 LEU 5 25.610 -3.458 8.361 42 HD13 LEU 5 HD13 LEU 5 24.335 -2.270 8.096 43 HD21 LEU 5 HD21 LEU 5 24.250 -4.575 10.004 44 HD22 LEU 5 HD22 LEU 5 22.683 -5.266 9.579 45 HD23 LEU 5 HD23 LEU 5 22.864 -3.525 9.755 46 H SER 6 H SER 6 18.999 -5.333 7.957 47 HA SER 6 HA SER 6 16.920 -4.603 7.489 48 HB2 SER 6 HB2 SER 6 18.350 -2.369 6.034 49 HB3 SER 6 HB3 SER 6 16.650 -2.370 6.516 50 HG SER 6 HG SER 6 17.371 -2.642 8.674 51 H TYR 7 H TYR 7 18.398 -6.376 5.535 52 HA TYR 7 HA TYR 7 17.140 -5.681 3.046 53 HB2 TYR 7 HB2 TYR 7 18.851 -8.049 3.745 54 HB3 TYR 7 HB3 TYR 7 18.074 -7.867 2.181 55 HD1 TYR 7 HD1 TYR 7 18.691 -5.932 0.736 56 HD2 TYR 7 HD2 TYR 7 20.845 -6.888 4.263 57 HE1 TYR 7 HE1 TYR 7 20.577 -4.577 -0.060 58 HE2 TYR 7 HE2 TYR 7 22.736 -5.538 3.481 59 HH TYR 7 HH TYR 7 23.617 -4.783 1.318 60 H ARG 8 H ARG 8 14.993 -5.669 3.472 61 HA ARG 8 HA ARG 8 13.740 -8.008 2.673 62 HB2 ARG 8 HB2 ARG 8 12.169 -8.243 4.461 63 HB3 ARG 8 HB3 ARG 8 13.764 -8.480 5.155 64 HG2 ARG 8 HG2 ARG 8 12.140 -5.929 5.360 65 HG3 ARG 8 HG3 ARG 8 12.124 -7.201 6.573 66 HD2 ARG 8 HD2 ARG 8 14.544 -5.619 5.712 67 HD3 ARG 8 HD3 ARG 8 13.584 -5.306 7.157 68 HE ARG 8 HE ARG 8 14.731 -7.965 6.870 69 HH11 ARG 8 HH11 ARG 8 14.833 -4.812 8.529 70 HH12 ARG 8 HH12 ARG 8 16.003 -5.308 9.657 71 HH21 ARG 8 HH21 ARG 8 16.298 -8.617 8.456 72 HH22 ARG 8 HH22 ARG 8 16.838 -7.504 9.638 73 H CYS 9 H CYS 9 11.430 -7.421 2.264 74 HA CYS 9 HA CYS 9 11.241 -4.519 1.926 75 HB2 CYS 9 HB2 CYS 9 9.831 -6.696 0.354 76 HB3 CYS 9 HB3 CYS 9 9.640 -4.979 0.133 77 HA PRO 10 HA PRO 10 7.846 -4.704 4.886 78 HB2 PRO 10 HB2 PRO 10 6.992 -2.301 3.300 79 HB3 PRO 10 HB3 PRO 10 7.153 -2.488 5.052 80 HG2 PRO 10 HG2 PRO 10 9.005 -1.160 3.739 81 HG3 PRO 10 HG3 PRO 10 9.489 -2.342 4.971 82 HD2 PRO 10 HD2 PRO 10 9.455 -2.622 1.986 83 HD3 PRO 10 HD3 PRO 10 10.712 -3.078 3.164 84 H CYS 11 H CYS 11 7.489 -4.502 1.443 85 HA CYS 11 HA CYS 11 5.005 -6.047 1.640 86 HB2 CYS 11 HB2 CYS 11 5.561 -3.805 -0.272 87 HB3 CYS 11 HB3 CYS 11 4.207 -4.906 -0.408 88 H ARG 12 H ARG 12 4.840 -7.616 0.179 89 HA ARG 12 HA ARG 12 6.801 -7.767 -1.973 90 HB2 ARG 12 HB2 ARG 12 5.930 -10.041 -0.175 91 HB3 ARG 12 HB3 ARG 12 6.821 -10.267 -1.674 92 HG2 ARG 12 HG2 ARG 12 8.665 -8.923 -0.774 93 HG3 ARG 12 HG3 ARG 12 7.769 -8.712 0.724 94 HD2 ARG 12 HD2 ARG 12 8.610 -11.352 -0.423 95 HD3 ARG 12 HD3 ARG 12 9.512 -10.483 0.813 96 HE ARG 12 HE ARG 12 6.832 -10.866 1.627 97 HH11 ARG 12 HH11 ARG 12 9.834 -12.638 1.174 98 HH12 ARG 12 HH12 ARG 12 9.512 -13.818 2.352 99 HH21 ARG 12 HH21 ARG 12 6.361 -12.444 3.280 100 HH22 ARG 12 HH22 ARG 12 7.467 -13.699 3.606 101 H PHE 13 H PHE 13 3.564 -8.220 -0.832 102 HA PHE 13 HA PHE 13 2.753 -8.872 -3.555 103 HB2 PHE 13 HB2 PHE 13 0.568 -9.547 -2.588 104 HB3 PHE 13 HB3 PHE 13 1.882 -10.458 -1.867 105 HD1 PHE 13 HD1 PHE 13 -0.706 -7.923 -1.294 106 HD2 PHE 13 HD2 PHE 13 2.445 -10.166 0.486 107 HE1 PHE 13 HE1 PHE 13 -1.529 -7.298 0.933 108 HE2 PHE 13 HE2 PHE 13 1.627 -9.540 2.720 109 HZ PHE 13 HZ PHE 13 -0.361 -8.102 2.947 110 H PHE 14 H PHE 14 1.373 -7.484 -4.632 111 HA PHE 14 HA PHE 14 0.552 -4.969 -3.298 112 HB2 PHE 14 HB2 PHE 14 1.744 -5.269 -6.023 113 HB3 PHE 14 HB3 PHE 14 1.175 -3.761 -5.322 114 HD1 PHE 14 HD1 PHE 14 2.482 -2.948 -3.257 115 HD2 PHE 14 HD2 PHE 14 3.894 -5.912 -5.930 116 HE1 PHE 14 HE1 PHE 14 4.746 -2.531 -2.502 117 HE2 PHE 14 HE2 PHE 14 6.179 -5.514 -5.194 118 HZ PHE 14 HZ PHE 14 6.631 -3.811 -3.456 119 H GLU 15 H GLU 15 -1.329 -4.145 -4.140 120 HA GLU 15 HA GLU 15 -2.675 -6.022 -5.913 121 HB2 GLU 15 HB2 GLU 15 -3.844 -3.919 -4.136 122 HB3 GLU 15 HB3 GLU 15 -4.780 -4.865 -5.283 123 HG2 GLU 15 HG2 GLU 15 -4.064 -6.854 -4.119 124 HG3 GLU 15 HG3 GLU 15 -3.279 -5.844 -2.894 125 H SER 16 H SER 16 -3.365 -5.469 -7.800 126 HA SER 16 HA SER 16 -3.104 -2.686 -8.658 127 HB2 SER 16 HB2 SER 16 -3.313 -5.226 -10.320 128 HB3 SER 16 HB3 SER 16 -3.157 -3.600 -10.980 129 HG SER 16 HG SER 16 -1.310 -5.061 -9.434 130 H HIS 17 H HIS 17 -5.177 -4.587 -7.308 131 HA HIS 17 HA HIS 17 -7.626 -3.854 -8.795 132 HB2 HIS 17 HB2 HIS 17 -7.249 -6.254 -8.150 133 HB3 HIS 17 HB3 HIS 17 -7.192 -5.757 -6.465 134 HD1 HIS 17 HD1 HIS 17 -9.386 -5.508 -5.278 135 HD2 HIS 17 HD2 HIS 17 -9.850 -6.058 -9.363 136 HE1 HIS 17 HE1 HIS 17 -11.819 -5.782 -5.633 137 HE2 HIS 17 HE2 HIS 17 -11.989 -6.539 -8.024 138 H VAL 18 H VAL 18 -5.786 -2.182 -6.948 139 HA VAL 18 HA VAL 18 -7.468 -1.676 -4.693 140 HB VAL 18 HB VAL 18 -5.194 0.040 -5.654 141 HG11 VAL 18 HG11 VAL 18 -6.502 -0.274 -2.934 142 HG12 VAL 18 HG12 VAL 18 -6.658 1.111 -3.999 143 HG13 VAL 18 HG13 VAL 18 -5.094 0.742 -3.258 144 HG21 VAL 18 HG21 VAL 18 -3.776 -1.218 -4.061 145 HG22 VAL 18 HG22 VAL 18 -4.422 -2.260 -5.325 146 HG23 VAL 18 HG23 VAL 18 -5.133 -2.287 -3.723 147 H ALA 19 H ALA 19 -9.013 -0.199 -4.502 148 HA ALA 19 HA ALA 19 -9.488 1.609 -6.747 149 HB1 ALA 19 HB1 ALA 19 -11.242 0.578 -4.515 150 HB2 ALA 19 HB2 ALA 19 -11.342 0.124 -6.211 151 HB3 ALA 19 HB3 ALA 19 -11.765 1.768 -5.710 152 H ARG 20 H ARG 20 -9.476 3.839 -6.275 153 HA ARG 20 HA ARG 20 -8.138 4.530 -3.870 154 HB2 ARG 20 HB2 ARG 20 -7.845 5.808 -5.932 155 HB3 ARG 20 HB3 ARG 20 -9.510 6.344 -5.848 156 HG2 ARG 20 HG2 ARG 20 -9.073 7.600 -3.841 157 HG3 ARG 20 HG3 ARG 20 -7.431 6.960 -3.757 158 HD2 ARG 20 HD2 ARG 20 -7.427 9.190 -4.684 159 HD3 ARG 20 HD3 ARG 20 -6.901 7.961 -5.844 160 HE ARG 20 HE ARG 20 -9.703 8.593 -5.978 161 HH11 ARG 20 HH11 ARG 20 -6.506 9.430 -7.289 162 HH12 ARG 20 HH12 ARG 20 -7.156 10.109 -8.714 163 HH21 ARG 20 HH21 ARG 20 -10.536 9.530 -7.909 164 HH22 ARG 20 HH22 ARG 20 -9.468 10.181 -9.072 165 H ALA 21 H ALA 21 -11.320 4.071 -4.678 166 HA ALA 21 HA ALA 21 -12.448 5.581 -2.505 167 HB1 ALA 21 HB1 ALA 21 -13.769 3.525 -4.261 168 HB2 ALA 21 HB2 ALA 21 -13.695 5.257 -4.588 169 HB3 ALA 21 HB3 ALA 21 -14.585 4.663 -3.185 170 H ASN 22 H ASN 22 -10.877 2.528 -2.673 171 HA ASN 22 HA ASN 22 -12.326 1.581 -0.227 172 HB2 ASN 22 HB2 ASN 22 -11.998 -0.598 -0.790 173 HB3 ASN 22 HB3 ASN 22 -12.218 0.088 -2.388 174 HD21 ASN 22 HD21 ASN 22 -10.911 -2.258 -1.363 175 HD22 ASN 22 HD22 ASN 22 -9.279 -2.161 -1.922 176 H VAL 23 H VAL 23 -9.519 3.001 -1.198 177 HA VAL 23 HA VAL 23 -8.066 1.786 0.971 178 HB VAL 23 HB VAL 23 -6.789 2.177 -1.057 179 HG11 VAL 23 HG11 VAL 23 -8.050 4.074 -1.922 180 HG12 VAL 23 HG12 VAL 23 -6.317 4.418 -1.910 181 HG13 VAL 23 HG13 VAL 23 -7.373 5.109 -0.674 182 HG21 VAL 23 HG21 VAL 23 -5.921 4.088 1.098 183 HG22 VAL 23 HG22 VAL 23 -4.891 3.362 -0.131 184 HG23 VAL 23 HG23 VAL 23 -5.649 2.355 1.118 185 H LYS 24 H LYS 24 -7.872 2.541 2.886 186 HA LYS 24 HA LYS 24 -9.324 4.913 3.708 187 HB2 LYS 24 HB2 LYS 24 -9.186 2.572 4.829 188 HB3 LYS 24 HB3 LYS 24 -7.640 3.124 5.425 189 HG2 LYS 24 HG2 LYS 24 -10.289 4.460 5.984 190 HG3 LYS 24 HG3 LYS 24 -9.440 3.353 7.049 191 HD2 LYS 24 HD2 LYS 24 -7.619 4.895 7.263 192 HD3 LYS 24 HD3 LYS 24 -8.385 5.998 6.107 193 HE2 LYS 24 HE2 LYS 24 -10.270 6.280 7.593 194 HE3 LYS 24 HE3 LYS 24 -9.578 5.112 8.714 195 HZ1 LYS 24 HZ1 LYS 24 -8.408 7.756 8.008 196 HZ2 LYS 24 HZ2 LYS 24 -7.734 6.653 9.091 197 HZ3 LYS 24 HZ3 LYS 24 -9.219 7.377 9.434 198 H HIS 25 H HIS 25 -5.963 3.698 4.070 199 HA HIS 25 HA HIS 25 -5.232 6.520 4.073 200 HB2 HIS 25 HB2 HIS 25 -3.552 6.277 5.767 201 HB3 HIS 25 HB3 HIS 25 -5.072 5.683 6.455 202 HD1 HIS 25 HD1 HIS 25 -2.350 5.359 7.685 203 HD2 HIS 25 HD2 HIS 25 -3.921 2.576 5.062 204 HE1 HIS 25 HE1 HIS 25 -1.184 3.218 8.216 205 HE2 HIS 25 HE2 HIS 25 -1.942 1.641 6.481 206 H LEU 26 H LEU 26 -3.597 7.171 2.888 207 HA LEU 26 HA LEU 26 -2.261 5.142 1.260 208 HB2 LEU 26 HB2 LEU 26 -2.593 8.125 0.913 209 HB3 LEU 26 HB3 LEU 26 -1.555 7.160 -0.107 210 HG LEU 26 HG LEU 26 -3.571 7.639 -1.266 211 HD11 LEU 26 HD11 LEU 26 -4.425 5.417 -1.725 212 HD12 LEU 26 HD12 LEU 26 -3.485 4.798 -0.371 213 HD13 LEU 26 HD13 LEU 26 -2.653 5.525 -1.749 214 HD21 LEU 26 HD21 LEU 26 -5.092 8.091 0.582 215 HD22 LEU 26 HD22 LEU 26 -5.081 6.383 1.033 216 HD23 LEU 26 HD23 LEU 26 -5.792 6.893 -0.501 217 H LYS 27 H LYS 27 -0.162 4.694 1.559 218 HA LYS 27 HA LYS 27 1.608 6.703 2.635 219 HB2 LYS 27 HB2 LYS 27 0.746 5.486 4.616 220 HB3 LYS 27 HB3 LYS 27 1.157 3.988 3.834 221 HG2 LYS 27 HG2 LYS 27 3.473 4.398 3.970 222 HG3 LYS 27 HG3 LYS 27 3.210 6.058 4.496 223 HD2 LYS 27 HD2 LYS 27 3.829 4.618 6.354 224 HD3 LYS 27 HD3 LYS 27 2.206 5.302 6.510 225 HE2 LYS 27 HE2 LYS 27 1.194 3.189 5.881 226 HE3 LYS 27 HE3 LYS 27 2.782 2.492 5.538 227 HZ1 LYS 27 HZ1 LYS 27 3.346 2.693 7.836 228 HZ2 LYS 27 HZ2 LYS 27 1.922 1.817 7.743 229 HZ3 LYS 27 HZ3 LYS 27 1.898 3.436 8.222 230 H ILE 28 H ILE 28 3.446 6.607 1.394 231 HA ILE 28 HA ILE 28 3.983 4.036 0.082 232 HB ILE 28 HB ILE 28 4.869 6.792 -0.799 233 HG12 ILE 28 HG12 ILE 28 2.782 4.942 -1.956 234 HG13 ILE 28 HG13 ILE 28 2.467 6.473 -1.144 235 HG21 ILE 28 HG21 ILE 28 6.472 5.038 -1.417 236 HG22 ILE 28 HG22 ILE 28 5.634 5.632 -2.857 237 HG23 ILE 28 HG23 ILE 28 5.163 4.094 -2.132 238 HD11 ILE 28 HD11 ILE 28 3.887 6.070 -3.762 239 HD12 ILE 28 HD12 ILE 28 3.621 7.636 -2.977 240 HD13 ILE 28 HD13 ILE 28 2.248 6.671 -3.538 241 H LEU 29 H LEU 29 5.906 3.033 0.486 242 HA LEU 29 HA LEU 29 7.681 4.506 2.251 243 HB2 LEU 29 HB2 LEU 29 6.430 2.675 3.358 244 HB3 LEU 29 HB3 LEU 29 7.109 1.550 2.200 245 HG LEU 29 HG LEU 29 9.303 1.773 3.153 246 HD11 LEU 29 HD11 LEU 29 9.709 3.231 5.111 247 HD12 LEU 29 HD12 LEU 29 8.066 3.855 4.981 248 HD13 LEU 29 HD13 LEU 29 9.232 4.175 3.701 249 HD21 LEU 29 HD21 LEU 29 8.884 0.899 5.382 250 HD22 LEU 29 HD22 LEU 29 7.705 0.257 4.233 251 HD23 LEU 29 HD23 LEU 29 7.241 1.547 5.332 252 H ASN 30 H ASN 30 9.640 4.795 1.609 253 HA ASN 30 HA ASN 30 10.578 3.566 -0.884 254 HB2 ASN 30 HB2 ASN 30 11.629 5.961 0.665 255 HB3 ASN 30 HB3 ASN 30 12.197 5.430 -0.910 256 HD21 ASN 30 HD21 ASN 30 9.636 6.962 0.839 257 HD22 ASN 30 HD22 ASN 30 8.794 7.645 -0.497 258 H THR 31 H THR 31 12.117 1.937 -0.703 259 HA THR 31 HA THR 31 13.267 1.614 1.959 260 HB THR 31 HB THR 31 13.323 -0.439 -0.196 261 HG1 THR 31 HG1 THR 31 11.064 0.591 1.141 262 HG21 THR 31 HG21 THR 31 13.008 -1.921 1.699 263 HG22 THR 31 HG22 THR 31 12.878 -0.529 2.775 264 HG23 THR 31 HG23 THR 31 14.413 -0.873 1.947 265 HA PRO 32 HA PRO 32 17.336 2.416 -0.050 266 HB2 PRO 32 HB2 PRO 32 18.397 0.974 2.295 267 HB3 PRO 32 HB3 PRO 32 18.756 2.613 1.797 268 HG2 PRO 32 HG2 PRO 32 17.285 2.177 3.951 269 HG3 PRO 32 HG3 PRO 32 16.819 3.465 2.823 270 HD2 PRO 32 HD2 PRO 32 15.728 0.688 3.069 271 HD3 PRO 32 HD3 PRO 32 14.841 2.224 2.958 272 H ASN 33 H ASN 33 16.064 -0.548 1.063 273 HA ASN 33 HA ASN 33 18.081 -2.147 -0.395 274 HB2 ASN 33 HB2 ASN 33 16.713 -2.707 2.228 275 HB3 ASN 33 HB3 ASN 33 17.710 -3.865 1.364 276 HD21 ASN 33 HD21 ASN 33 17.883 -2.036 3.889 277 HD22 ASN 33 HD22 ASN 33 19.533 -1.533 3.861 278 H CYS 34 H CYS 34 15.094 -1.156 -0.763 279 HA CYS 34 HA CYS 34 14.358 -3.559 -2.196 280 HB2 CYS 34 HB2 CYS 34 13.033 -3.492 0.013 281 HB3 CYS 34 HB3 CYS 34 12.243 -2.047 -0.552 282 H ALA 35 H ALA 35 12.393 -2.779 -3.642 283 HA ALA 35 HA ALA 35 13.499 -0.504 -5.022 284 HB1 ALA 35 HB1 ALA 35 11.851 -0.935 -6.765 285 HB2 ALA 35 HB2 ALA 35 11.026 -2.085 -5.714 286 HB3 ALA 35 HB3 ALA 35 12.651 -2.436 -6.297 287 H LEU 36 H LEU 36 10.094 -1.071 -4.368 288 HA LEU 36 HA LEU 36 9.768 1.302 -2.829 289 HB2 LEU 36 HB2 LEU 36 10.128 2.249 -5.114 290 HB3 LEU 36 HB3 LEU 36 8.789 1.305 -5.706 291 HG LEU 36 HG LEU 36 8.271 3.723 -5.441 292 HD11 LEU 36 HD11 LEU 36 6.425 2.173 -5.366 293 HD12 LEU 36 HD12 LEU 36 6.150 3.545 -4.294 294 HD13 LEU 36 HD13 LEU 36 6.633 1.988 -3.625 295 HD21 LEU 36 HD21 LEU 36 8.014 4.681 -3.224 296 HD22 LEU 36 HD22 LEU 36 9.678 4.193 -3.529 297 HD23 LEU 36 HD23 LEU 36 8.639 3.201 -2.500 298 H GLN 37 H GLN 37 8.095 0.771 -1.509 299 HA GLN 37 HA GLN 37 5.952 -0.737 -2.771 300 HB2 GLN 37 HB2 GLN 37 5.462 -1.922 -0.710 301 HB3 GLN 37 HB3 GLN 37 7.068 -2.327 -1.303 302 HG2 GLN 37 HG2 GLN 37 6.433 -0.466 1.017 303 HG3 GLN 37 HG3 GLN 37 6.907 -2.161 1.115 304 HE21 GLN 37 HE21 GLN 37 8.882 -2.053 -0.929 305 HE22 GLN 37 HE22 GLN 37 10.195 -1.167 -0.217 306 H ILE 38 H ILE 38 3.926 -0.146 -2.421 307 HA ILE 38 HA ILE 38 3.533 2.309 -0.879 308 HB ILE 38 HB ILE 38 1.805 0.974 -2.960 309 HG12 ILE 38 HG12 ILE 38 3.494 3.470 -3.238 310 HG13 ILE 38 HG13 ILE 38 3.889 1.890 -3.910 311 HG21 ILE 38 HG21 ILE 38 0.421 2.238 -1.456 312 HG22 ILE 38 HG22 ILE 38 0.533 3.142 -2.959 313 HG23 ILE 38 HG23 ILE 38 1.474 3.639 -1.547 314 HD11 ILE 38 HD11 ILE 38 1.514 3.585 -4.641 315 HD12 ILE 38 HD12 ILE 38 1.917 2.006 -5.333 316 HD13 ILE 38 HD13 ILE 38 2.984 3.388 -5.590 317 H VAL 39 H VAL 39 2.225 2.207 0.900 318 HA VAL 39 HA VAL 39 0.981 -0.387 1.503 319 HB VAL 39 HB VAL 39 1.857 1.792 3.418 320 HG11 VAL 39 HG11 VAL 39 0.687 -0.944 4.016 321 HG12 VAL 39 HG12 VAL 39 -0.065 0.617 4.302 322 HG13 VAL 39 HG13 VAL 39 1.364 0.159 5.212 323 HG21 VAL 39 HG21 VAL 39 3.777 0.641 2.466 324 HG22 VAL 39 HG22 VAL 39 3.078 -0.920 2.902 325 HG23 VAL 39 HG23 VAL 39 3.579 0.206 4.165 326 H ALA 40 H ALA 40 -1.093 -0.485 1.824 327 HA ALA 40 HA ALA 40 -2.663 1.977 2.115 328 HB1 ALA 40 HB1 ALA 40 -2.644 1.367 -0.215 329 HB2 ALA 40 HB2 ALA 40 -4.242 1.093 0.484 330 HB3 ALA 40 HB3 ALA 40 -3.161 -0.267 0.188 331 H ARG 41 H ARG 41 -4.631 1.595 3.140 332 HA ARG 41 HA ARG 41 -4.954 -1.144 4.070 333 HB2 ARG 41 HB2 ARG 41 -4.145 0.604 5.953 334 HB3 ARG 41 HB3 ARG 41 -5.727 1.181 5.744 335 HG2 ARG 41 HG2 ARG 41 -6.875 -0.722 6.416 336 HG3 ARG 41 HG3 ARG 41 -5.463 -1.740 6.225 337 HD2 ARG 41 HD2 ARG 41 -6.105 -1.322 8.523 338 HD3 ARG 41 HD3 ARG 41 -4.428 -0.805 8.124 339 HE ARG 41 HE ARG 41 -6.695 1.064 8.192 340 HH11 ARG 41 HH11 ARG 41 -3.535 0.080 9.518 341 HH12 ARG 41 HH12 ARG 41 -3.407 1.413 10.561 342 HH21 ARG 41 HH21 ARG 41 -6.451 2.913 9.678 343 HH22 ARG 41 HH22 ARG 41 -5.044 3.030 10.638 344 H LEU 42 H LEU 42 -6.896 -1.966 3.594 345 HA LEU 42 HA LEU 42 -8.661 -0.457 2.114 346 HB2 LEU 42 HB2 LEU 42 -8.001 -3.001 2.306 347 HB3 LEU 42 HB3 LEU 42 -9.365 -3.016 3.418 348 HG LEU 42 HG LEU 42 -9.290 -2.052 0.694 349 HD11 LEU 42 HD11 LEU 42 -8.877 -4.468 0.689 350 HD12 LEU 42 HD12 LEU 42 -10.505 -4.220 0.065 351 HD13 LEU 42 HD13 LEU 42 -10.273 -4.769 1.720 352 HD21 LEU 42 HD21 LEU 42 -11.799 -2.259 0.739 353 HD22 LEU 42 HD22 LEU 42 -11.099 -1.066 1.834 354 HD23 LEU 42 HD23 LEU 42 -11.653 -2.622 2.466 355 H LYS 43 H LYS 43 -10.402 0.578 2.725 356 HA LYS 43 HA LYS 43 -10.891 1.595 5.216 357 HB2 LYS 43 HB2 LYS 43 -12.668 1.199 2.847 358 HB3 LYS 43 HB3 LYS 43 -13.165 2.181 4.201 359 HG2 LYS 43 HG2 LYS 43 -11.270 3.655 3.819 360 HG3 LYS 43 HG3 LYS 43 -10.730 2.626 2.498 361 HD2 LYS 43 HD2 LYS 43 -11.903 4.579 1.656 362 HD3 LYS 43 HD3 LYS 43 -12.796 3.110 1.282 363 HE2 LYS 43 HE2 LYS 43 -14.300 3.542 3.149 364 HE3 LYS 43 HE3 LYS 43 -13.372 4.983 3.565 365 HZ1 LYS 43 HZ1 LYS 43 -15.294 5.577 2.347 366 HZ2 LYS 43 HZ2 LYS 43 -14.910 4.527 1.070 367 HZ3 LYS 43 HZ3 LYS 43 -13.944 5.891 1.396 368 H ASN 44 H ASN 44 -12.903 -0.900 3.658 369 HA ASN 44 HA ASN 44 -14.390 -1.255 6.147 370 HB2 ASN 44 HB2 ASN 44 -15.601 -1.321 4.006 371 HB3 ASN 44 HB3 ASN 44 -14.687 -2.747 3.531 372 HD21 ASN 44 HD21 ASN 44 -16.519 -4.019 3.323 373 HD22 ASN 44 HD22 ASN 44 -17.460 -4.523 4.673 374 H ASN 45 H ASN 45 -12.077 -2.979 4.321 375 HA ASN 45 HA ASN 45 -12.387 -5.467 5.726 376 HB2 ASN 45 HB2 ASN 45 -11.937 -5.454 3.362 377 HB3 ASN 45 HB3 ASN 45 -10.518 -4.476 3.605 378 HD21 ASN 45 HD21 ASN 45 -10.938 -7.187 5.730 379 HD22 ASN 45 HD22 ASN 45 -9.869 -8.245 4.948 380 H ASN 46 H ASN 46 -10.306 -2.672 5.995 381 HA ASN 46 HA ASN 46 -8.625 -2.094 7.236 382 HB2 ASN 46 HB2 ASN 46 -9.877 -3.977 9.178 383 HB3 ASN 46 HB3 ASN 46 -8.356 -3.180 9.568 384 HD21 ASN 46 HD21 ASN 46 -10.847 -2.828 10.887 385 HD22 ASN 46 HD22 ASN 46 -11.229 -1.161 10.650 386 H ARG 47 H ARG 47 -8.472 -5.074 5.873 387 HA ARG 47 HA ARG 47 -6.029 -5.822 6.782 388 HB2 ARG 47 HB2 ARG 47 -7.843 -6.219 4.644 389 HB3 ARG 47 HB3 ARG 47 -6.301 -6.742 4.179 390 HG2 ARG 47 HG2 ARG 47 -6.340 -8.115 6.359 391 HG3 ARG 47 HG3 ARG 47 -8.065 -7.706 6.383 392 HD2 ARG 47 HD2 ARG 47 -8.416 -8.636 4.285 393 HD3 ARG 47 HD3 ARG 47 -6.691 -8.715 4.015 394 HE ARG 47 HE ARG 47 -7.585 -10.265 6.253 395 HH11 ARG 47 HH11 ARG 47 -7.059 -10.345 2.744 396 HH12 ARG 47 HH12 ARG 47 -7.037 -12.043 2.637 397 HH21 ARG 47 HH21 ARG 47 -7.538 -12.624 6.088 398 HH22 ARG 47 HH22 ARG 47 -7.332 -13.361 4.570 399 H GLN 48 H GLN 48 -4.186 -5.130 6.354 400 HA GLN 48 HA GLN 48 -3.792 -2.745 4.848 401 HB2 GLN 48 HB2 GLN 48 -2.787 -2.988 7.045 402 HB3 GLN 48 HB3 GLN 48 -1.941 -4.459 6.527 403 HG2 GLN 48 HG2 GLN 48 -0.841 -2.987 4.872 404 HG3 GLN 48 HG3 GLN 48 -1.689 -1.677 5.678 405 HE21 GLN 48 HE21 GLN 48 1.248 -2.337 5.503 406 HE22 GLN 48 HE22 GLN 48 1.795 -2.284 7.130 407 H VAL 49 H VAL 49 -3.104 -2.816 2.833 408 HA VAL 49 HA VAL 49 -1.814 -5.247 1.871 409 HB VAL 49 HB VAL 49 -2.942 -5.018 -0.287 410 HG11 VAL 49 HG11 VAL 49 -5.207 -5.702 0.340 411 HG12 VAL 49 HG12 VAL 49 -4.915 -5.147 1.987 412 HG13 VAL 49 HG13 VAL 49 -3.975 -6.488 1.326 413 HG21 VAL 49 HG21 VAL 49 -3.319 -2.614 -0.307 414 HG22 VAL 49 HG22 VAL 49 -4.533 -2.765 0.972 415 HG23 VAL 49 HG23 VAL 49 -4.810 -3.480 -0.629 416 H CYS 50 H CYS 50 -1.016 -4.525 -0.501 417 HA CYS 50 HA CYS 50 0.281 -1.964 -0.089 418 HB2 CYS 50 HB2 CYS 50 1.572 -4.406 -1.310 419 HB3 CYS 50 HB3 CYS 50 2.304 -2.862 -0.958 420 H ILE 51 H ILE 51 0.793 -0.909 -2.039 421 HA ILE 51 HA ILE 51 -1.034 -1.720 -4.178 422 HB ILE 51 HB ILE 51 -0.068 1.089 -3.596 423 HG12 ILE 51 HG12 ILE 51 -2.567 -0.370 -2.767 424 HG13 ILE 51 HG13 ILE 51 -1.392 0.422 -1.787 425 HG21 ILE 51 HG21 ILE 51 -0.684 0.693 -5.916 426 HG22 ILE 51 HG22 ILE 51 -1.866 1.736 -5.116 427 HG23 ILE 51 HG23 ILE 51 -2.229 0.029 -5.385 428 HD11 ILE 51 HD11 ILE 51 -1.986 2.620 -2.559 429 HD12 ILE 51 HD12 ILE 51 -3.438 1.803 -1.976 430 HD13 ILE 51 HD13 ILE 51 -3.136 1.944 -3.708 431 H ASP 52 H ASP 52 -0.361 -1.713 -6.217 432 HA ASP 52 HA ASP 52 2.458 -1.890 -6.667 433 HB2 ASP 52 HB2 ASP 52 0.935 -3.432 -7.608 434 HB3 ASP 52 HB3 ASP 52 0.085 -2.144 -8.510 435 HA PRO 53 HA PRO 53 2.787 2.398 -7.646 436 HB2 PRO 53 HB2 PRO 53 5.237 2.329 -8.852 437 HB3 PRO 53 HB3 PRO 53 4.987 2.284 -7.105 438 HG2 PRO 53 HG2 PRO 53 5.519 0.030 -8.998 439 HG3 PRO 53 HG3 PRO 53 6.166 0.307 -7.371 440 HD2 PRO 53 HD2 PRO 53 4.163 -1.431 -7.848 441 HD3 PRO 53 HD3 PRO 53 4.282 -0.510 -6.338 442 H LYS 54 H LYS 54 2.187 0.072 -10.023 443 HA LYS 54 HA LYS 54 2.494 2.072 -12.146 444 HB2 LYS 54 HB2 LYS 54 2.076 -0.898 -12.381 445 HB3 LYS 54 HB3 LYS 54 2.181 0.203 -13.734 446 HG2 LYS 54 HG2 LYS 54 4.426 -0.253 -11.764 447 HG3 LYS 54 HG3 LYS 54 4.244 -1.157 -13.256 448 HD2 LYS 54 HD2 LYS 54 5.877 0.533 -13.668 449 HD3 LYS 54 HD3 LYS 54 4.419 1.048 -14.484 450 HE2 LYS 54 HE2 LYS 54 3.998 2.725 -12.794 451 HE3 LYS 54 HE3 LYS 54 5.307 2.096 -11.770 452 HZ1 LYS 54 HZ1 LYS 54 5.908 4.086 -12.942 453 HZ2 LYS 54 HZ2 LYS 54 5.527 3.405 -14.425 454 HZ3 LYS 54 HZ3 LYS 54 6.828 2.823 -13.528 455 H LEU 55 H LEU 55 0.142 1.280 -10.055 456 HA LEU 55 HA LEU 55 -2.049 1.016 -11.757 457 HB2 LEU 55 HB2 LEU 55 -1.672 1.944 -8.986 458 HB3 LEU 55 HB3 LEU 55 -3.219 2.172 -9.717 459 HG LEU 55 HG LEU 55 -1.857 -0.504 -9.311 460 HD11 LEU 55 HD11 LEU 55 -4.251 0.749 -7.962 461 HD12 LEU 55 HD12 LEU 55 -2.648 0.607 -7.257 462 HD13 LEU 55 HD13 LEU 55 -3.577 -0.851 -7.623 463 HD21 LEU 55 HD21 LEU 55 -4.050 -1.405 -9.962 464 HD22 LEU 55 HD22 LEU 55 -3.307 -0.503 -11.291 465 HD23 LEU 55 HD23 LEU 55 -4.597 0.215 -10.314 466 H LYS 56 H LYS 56 -3.483 2.417 -12.516 467 HA LYS 56 HA LYS 56 -2.437 4.723 -13.701 468 HB2 LYS 56 HB2 LYS 56 -4.246 3.440 -14.714 469 HB3 LYS 56 HB3 LYS 56 -5.327 3.911 -13.415 470 HG2 LYS 56 HG2 LYS 56 -5.155 6.246 -14.110 471 HG3 LYS 56 HG3 LYS 56 -4.048 5.778 -15.396 472 HD2 LYS 56 HD2 LYS 56 -5.805 4.395 -16.398 473 HD3 LYS 56 HD3 LYS 56 -6.915 4.880 -15.110 474 HE2 LYS 56 HE2 LYS 56 -7.294 6.198 -17.129 475 HE3 LYS 56 HE3 LYS 56 -6.704 7.213 -15.813 476 HZ1 LYS 56 HZ1 LYS 56 -5.599 7.739 -17.883 477 HZ2 LYS 56 HZ2 LYS 56 -5.060 6.154 -18.049 478 HZ3 LYS 56 HZ3 LYS 56 -4.479 7.108 -16.797 479 H TRP 57 H TRP 57 -4.833 4.495 -11.037 480 HA TRP 57 HA TRP 57 -4.879 7.315 -10.750 481 HB2 TRP 57 HB2 TRP 57 -6.187 6.982 -8.731 482 HB3 TRP 57 HB3 TRP 57 -6.772 5.907 -9.976 483 HD1 TRP 57 HD1 TRP 57 -6.351 3.144 -9.492 484 HE1 TRP 57 HE1 TRP 57 -5.991 1.944 -7.331 485 HE3 TRP 57 HE3 TRP 57 -5.079 7.146 -6.544 486 HZ2 TRP 57 HZ2 TRP 57 -5.255 2.537 -4.691 487 HZ3 TRP 57 HZ3 TRP 57 -4.568 6.707 -4.189 488 HH2 TRP 57 HH2 TRP 57 -4.662 4.456 -3.293 489 H ILE 58 H ILE 58 -2.766 4.918 -9.705 490 HA ILE 58 HA ILE 58 -1.553 6.369 -7.583 491 HB ILE 58 HB ILE 58 -0.746 3.930 -9.158 492 HG12 ILE 58 HG12 ILE 58 -2.501 3.604 -7.517 493 HG13 ILE 58 HG13 ILE 58 -1.034 2.767 -7.025 494 HG21 ILE 58 HG21 ILE 58 1.140 3.580 -7.677 495 HG22 ILE 58 HG22 ILE 58 0.900 5.180 -6.972 496 HG23 ILE 58 HG23 ILE 58 1.335 5.022 -8.678 497 HD11 ILE 58 HD11 ILE 58 -0.534 4.573 -5.452 498 HD12 ILE 58 HD12 ILE 58 -2.100 3.836 -5.122 499 HD13 ILE 58 HD13 ILE 58 -2.026 5.394 -5.923 500 H GLN 59 H GLN 59 -1.067 6.124 -11.032 501 HA GLN 59 HA GLN 59 1.358 7.558 -11.146 502 HB2 GLN 59 HB2 GLN 59 -0.884 7.506 -13.165 503 HB3 GLN 59 HB3 GLN 59 0.756 8.084 -13.456 504 HG2 GLN 59 HG2 GLN 59 -0.009 5.249 -12.759 505 HG3 GLN 59 HG3 GLN 59 0.405 5.831 -14.369 506 HE21 GLN 59 HE21 GLN 59 1.606 5.039 -11.223 507 HE22 GLN 59 HE22 GLN 59 3.279 5.026 -11.622 508 H GLU 60 H GLU 60 -2.010 8.554 -11.190 509 HA GLU 60 HA GLU 60 -1.702 11.346 -11.354 510 HB2 GLU 60 HB2 GLU 60 -3.775 9.711 -9.879 511 HB3 GLU 60 HB3 GLU 60 -3.906 11.430 -10.198 512 HG2 GLU 60 HG2 GLU 60 -3.734 9.302 -12.313 513 HG3 GLU 60 HG3 GLU 60 -5.232 10.025 -11.726 514 H TYR 61 H TYR 61 -1.839 9.152 -8.596 515 HA TYR 61 HA TYR 61 -1.642 11.028 -6.541 516 HB2 TYR 61 HB2 TYR 61 -2.299 8.631 -6.246 517 HB3 TYR 61 HB3 TYR 61 -0.630 8.170 -6.531 518 HD1 TYR 61 HD1 TYR 61 -2.960 9.734 -4.167 519 HD2 TYR 61 HD2 TYR 61 1.050 8.451 -4.775 520 HE1 TYR 61 HE1 TYR 61 -2.525 9.954 -1.760 521 HE2 TYR 61 HE2 TYR 61 1.489 8.667 -2.378 522 HH TYR 61 HH TYR 61 0.632 9.861 -0.500 523 H LEU 62 H LEU 62 0.969 9.137 -8.120 524 HA LEU 62 HA LEU 62 3.012 10.418 -6.639 525 HB2 LEU 62 HB2 LEU 62 3.089 8.722 -9.100 526 HB3 LEU 62 HB3 LEU 62 4.522 9.578 -8.581 527 HG LEU 62 HG LEU 62 4.417 8.353 -6.406 528 HD11 LEU 62 HD11 LEU 62 2.235 6.785 -7.688 529 HD12 LEU 62 HD12 LEU 62 2.066 7.902 -6.347 530 HD13 LEU 62 HD13 LEU 62 3.023 6.425 -6.148 531 HD21 LEU 62 HD21 LEU 62 5.821 7.602 -8.207 532 HD22 LEU 62 HD22 LEU 62 4.502 6.631 -8.859 533 HD23 LEU 62 HD23 LEU 62 5.193 6.235 -7.277 534 H GLU 63 H GLU 63 1.467 11.195 -9.699 535 HA GLU 63 HA GLU 63 3.256 13.050 -10.643 536 HB2 GLU 63 HB2 GLU 63 1.366 12.103 -11.879 537 HB3 GLU 63 HB3 GLU 63 0.247 12.932 -10.814 538 HG2 GLU 63 HG2 GLU 63 0.405 14.062 -12.889 539 HG3 GLU 63 HG3 GLU 63 1.096 15.046 -11.587 540 H LYS 64 H LYS 64 0.389 13.475 -8.523 541 HA LYS 64 HA LYS 64 0.992 16.262 -8.223 542 HB2 LYS 64 HB2 LYS 64 -0.910 16.485 -6.852 543 HB3 LYS 64 HB3 LYS 64 -1.325 15.319 -8.094 544 HG2 LYS 64 HG2 LYS 64 -1.086 13.510 -6.524 545 HG3 LYS 64 HG3 LYS 64 -0.563 14.644 -5.268 546 HD2 LYS 64 HD2 LYS 64 -2.692 15.876 -5.647 547 HD3 LYS 64 HD3 LYS 64 -3.225 14.527 -6.645 548 HE2 LYS 64 HE2 LYS 64 -2.445 14.425 -3.746 549 HE3 LYS 64 HE3 LYS 64 -4.089 14.332 -4.378 550 HZ1 LYS 64 HZ1 LYS 64 -3.244 12.186 -3.783 551 HZ2 LYS 64 HZ2 LYS 64 -1.932 12.341 -4.840 552 HZ3 LYS 64 HZ3 LYS 64 -3.536 12.241 -5.428 553 H ALA 65 H ALA 65 1.820 13.397 -6.480 554 HA ALA 65 HA ALA 65 2.613 14.626 -4.055 555 HB1 ALA 65 HB1 ALA 65 3.786 12.536 -3.602 556 HB2 ALA 65 HB2 ALA 65 3.594 12.053 -5.285 557 HB3 ALA 65 HB3 ALA 65 2.177 12.213 -4.248 558 H LEU 66 H LEU 66 4.427 13.729 -7.011 559 HA LEU 66 HA LEU 66 6.863 14.753 -6.020 560 HB2 LEU 66 HB2 LEU 66 6.496 12.930 -7.753 561 HB3 LEU 66 HB3 LEU 66 6.016 14.175 -8.871 562 HG LEU 66 HG LEU 66 8.705 14.029 -7.584 563 HD11 LEU 66 HD11 LEU 66 7.816 13.011 -10.298 564 HD12 LEU 66 HD12 LEU 66 8.336 12.020 -8.936 565 HD13 LEU 66 HD13 LEU 66 9.490 13.072 -9.758 566 HD21 LEU 66 HD21 LEU 66 8.181 16.238 -8.490 567 HD22 LEU 66 HD22 LEU 66 7.783 15.523 -10.051 568 HD23 LEU 66 HD23 LEU 66 9.442 15.472 -9.457 569 H ASN 67 H ASN 67 4.124 16.001 -7.803 570 HA ASN 67 HA ASN 67 5.341 18.384 -8.715 571 HB2 ASN 67 HB2 ASN 67 3.221 17.495 -9.659 572 HB3 ASN 67 HB3 ASN 67 2.418 17.871 -8.142 573 HD21 ASN 67 HD21 ASN 67 3.830 19.168 -11.016 574 HD22 ASN 67 HD22 ASN 67 3.192 20.762 -10.857 575 H LYS 68 H LYS 68 3.147 17.859 -5.929 576 HA LYS 68 HA LYS 68 4.429 20.174 -4.683 577 HB2 LYS 68 HB2 LYS 68 1.497 19.446 -4.636 578 HB3 LYS 68 HB3 LYS 68 2.227 20.694 -3.640 579 HG2 LYS 68 HG2 LYS 68 2.806 21.949 -5.642 580 HG3 LYS 68 HG3 LYS 68 2.109 20.675 -6.643 581 HD2 LYS 68 HD2 LYS 68 -0.071 21.053 -5.612 582 HD3 LYS 68 HD3 LYS 68 0.619 22.325 -4.602 583 HE2 LYS 68 HE2 LYS 68 1.184 23.607 -6.611 584 HE3 LYS 68 HE3 LYS 68 0.508 22.334 -7.621 585 HZ1 LYS 68 HZ1 LYS 68 -0.987 23.967 -5.646 586 HZ2 LYS 68 HZ2 LYS 68 -1.663 22.758 -6.607 587 HZ3 LYS 68 HZ3 LYS 68 -1.042 24.155 -7.319 Start of MODEL 20 1 H LYS 1 H LYS 1 0.060 -21.248 7.699 2 HA LYS 1 HA LYS 1 -1.962 -20.434 9.617 3 HB2 LYS 1 HB2 LYS 1 0.084 -22.632 9.923 4 HB3 LYS 1 HB3 LYS 1 -0.749 -21.907 11.300 5 HG2 LYS 1 HG2 LYS 1 -2.853 -22.708 10.496 6 HG3 LYS 1 HG3 LYS 1 -2.132 -23.242 8.982 7 HD2 LYS 1 HD2 LYS 1 -2.505 -25.116 10.487 8 HD3 LYS 1 HD3 LYS 1 -0.784 -24.880 10.201 9 HE2 LYS 1 HE2 LYS 1 -0.633 -23.689 12.351 10 HE3 LYS 1 HE3 LYS 1 -2.348 -24.018 12.630 11 HZ1 LYS 1 HZ1 LYS 1 -0.199 -26.035 12.324 12 HZ2 LYS 1 HZ2 LYS 1 -1.834 -26.391 12.514 13 HZ3 LYS 1 HZ3 LYS 1 -0.980 -25.639 13.762 14 HA PRO 2 HA PRO 2 1.893 -18.276 11.190 15 HB2 PRO 2 HB2 PRO 2 4.330 -18.733 10.081 16 HB3 PRO 2 HB3 PRO 2 3.711 -19.706 11.422 17 HG2 PRO 2 HG2 PRO 2 3.816 -20.334 8.513 18 HG3 PRO 2 HG3 PRO 2 4.078 -21.404 9.899 19 HD2 PRO 2 HD2 PRO 2 1.681 -21.280 8.462 20 HD3 PRO 2 HD3 PRO 2 1.809 -21.811 10.138 21 H VAL 3 H VAL 3 2.022 -16.206 10.492 22 HA VAL 3 HA VAL 3 1.569 -15.696 7.716 23 HB VAL 3 HB VAL 3 1.983 -13.738 10.001 24 HG11 VAL 3 HG11 VAL 3 0.970 -13.271 7.189 25 HG12 VAL 3 HG12 VAL 3 2.511 -12.709 7.841 26 HG13 VAL 3 HG13 VAL 3 0.996 -12.065 8.476 27 HG21 VAL 3 HG21 VAL 3 -0.007 -15.116 10.287 28 HG22 VAL 3 HG22 VAL 3 -0.541 -14.707 8.654 29 HG23 VAL 3 HG23 VAL 3 -0.452 -13.454 9.891 30 H SER 4 H SER 4 3.030 -15.430 6.263 31 HA SER 4 HA SER 4 5.792 -15.453 6.893 32 HB2 SER 4 HB2 SER 4 4.340 -15.136 4.272 33 HB3 SER 4 HB3 SER 4 6.052 -15.509 4.453 34 HG SER 4 HG SER 4 4.763 -17.190 5.954 35 H LEU 5 H LEU 5 6.542 -13.585 7.767 36 HA LEU 5 HA LEU 5 6.133 -11.182 6.138 37 HB2 LEU 5 HB2 LEU 5 4.825 -11.089 8.265 38 HB3 LEU 5 HB3 LEU 5 6.317 -11.248 9.157 39 HG LEU 5 HG LEU 5 7.076 -9.072 8.238 40 HD11 LEU 5 HD11 LEU 5 4.301 -8.945 7.065 41 HD12 LEU 5 HD12 LEU 5 5.816 -9.049 6.168 42 HD13 LEU 5 HD13 LEU 5 5.454 -7.614 7.123 43 HD21 LEU 5 HD21 LEU 5 5.563 -7.679 9.565 44 HD22 LEU 5 HD22 LEU 5 5.984 -9.166 10.414 45 HD23 LEU 5 HD23 LEU 5 4.407 -9.007 9.640 46 H SER 6 H SER 6 8.255 -13.385 6.909 47 HA SER 6 HA SER 6 10.469 -11.714 7.646 48 HB2 SER 6 HB2 SER 6 11.785 -13.872 7.410 49 HB3 SER 6 HB3 SER 6 10.505 -13.882 8.620 50 HG SER 6 HG SER 6 10.093 -14.728 5.980 51 H TYR 7 H TYR 7 10.700 -10.288 6.056 52 HA TYR 7 HA TYR 7 11.971 -11.196 3.584 53 HB2 TYR 7 HB2 TYR 7 9.684 -9.206 3.744 54 HB3 TYR 7 HB3 TYR 7 10.662 -9.469 2.317 55 HD1 TYR 7 HD1 TYR 7 8.000 -10.802 4.444 56 HD2 TYR 7 HD2 TYR 7 10.334 -11.475 0.961 57 HE1 TYR 7 HE1 TYR 7 6.416 -12.530 3.724 58 HE2 TYR 7 HE2 TYR 7 8.745 -13.201 0.227 59 HH TYR 7 HH TYR 7 7.090 -14.697 1.225 60 H ARG 8 H ARG 8 13.086 -9.259 2.562 61 HA ARG 8 HA ARG 8 14.103 -7.533 4.697 62 HB2 ARG 8 HB2 ARG 8 15.858 -6.874 3.149 63 HB3 ARG 8 HB3 ARG 8 15.762 -8.626 3.233 64 HG2 ARG 8 HG2 ARG 8 14.648 -8.705 1.099 65 HG3 ARG 8 HG3 ARG 8 14.597 -6.939 1.024 66 HD2 ARG 8 HD2 ARG 8 17.050 -6.899 1.035 67 HD3 ARG 8 HD3 ARG 8 17.073 -8.660 1.084 68 HE ARG 8 HE ARG 8 15.550 -7.783 -1.112 69 HH11 ARG 8 HH11 ARG 8 18.942 -7.894 -0.049 70 HH12 ARG 8 HH12 ARG 8 19.555 -8.057 -1.615 71 HH21 ARG 8 HH21 ARG 8 16.417 -8.012 -3.252 72 HH22 ARG 8 HH22 ARG 8 18.098 -8.114 -3.500 73 H CYS 9 H CYS 9 11.796 -7.566 2.463 74 HA CYS 9 HA CYS 9 11.808 -4.662 2.114 75 HB2 CYS 9 HB2 CYS 9 10.298 -6.719 0.478 76 HB3 CYS 9 HB3 CYS 9 10.459 -5.006 0.135 77 HA PRO 10 HA PRO 10 8.344 -4.322 4.908 78 HB2 PRO 10 HB2 PRO 10 7.301 -2.333 2.944 79 HB3 PRO 10 HB3 PRO 10 7.590 -2.177 4.677 80 HG2 PRO 10 HG2 PRO 10 9.243 -1.073 2.938 81 HG3 PRO 10 HG3 PRO 10 9.870 -1.867 4.396 82 HD2 PRO 10 HD2 PRO 10 9.814 -2.841 1.574 83 HD3 PRO 10 HD3 PRO 10 11.081 -2.994 2.816 84 H CYS 11 H CYS 11 7.807 -4.962 1.578 85 HA CYS 11 HA CYS 11 5.130 -5.992 2.195 86 HB2 CYS 11 HB2 CYS 11 6.059 -4.483 -0.209 87 HB3 CYS 11 HB3 CYS 11 4.538 -5.380 -0.212 88 H ARG 12 H ARG 12 4.451 -7.816 1.185 89 HA ARG 12 HA ARG 12 6.512 -9.636 0.237 90 HB2 ARG 12 HB2 ARG 12 3.518 -10.063 0.458 91 HB3 ARG 12 HB3 ARG 12 4.742 -11.301 0.276 92 HG2 ARG 12 HG2 ARG 12 5.592 -10.777 2.510 93 HG3 ARG 12 HG3 ARG 12 4.342 -9.546 2.687 94 HD2 ARG 12 HD2 ARG 12 3.634 -11.589 3.788 95 HD3 ARG 12 HD3 ARG 12 2.622 -11.285 2.379 96 HE ARG 12 HE ARG 12 4.844 -13.007 1.803 97 HH11 ARG 12 HH11 ARG 12 1.554 -12.966 3.096 98 HH12 ARG 12 HH12 ARG 12 1.244 -14.605 2.785 99 HH21 ARG 12 HH21 ARG 12 4.428 -15.256 1.346 100 HH22 ARG 12 HH22 ARG 12 2.921 -15.934 1.756 101 H PHE 13 H PHE 13 3.350 -8.440 -0.780 102 HA PHE 13 HA PHE 13 4.199 -8.293 -3.552 103 HB2 PHE 13 HB2 PHE 13 1.634 -9.628 -2.605 104 HB3 PHE 13 HB3 PHE 13 2.053 -9.294 -4.276 105 HD1 PHE 13 HD1 PHE 13 3.921 -10.527 -5.347 106 HD2 PHE 13 HD2 PHE 13 2.474 -11.524 -1.475 107 HE1 PHE 13 HE1 PHE 13 5.032 -12.718 -5.499 108 HE2 PHE 13 HE2 PHE 13 3.578 -13.703 -1.611 109 HZ PHE 13 HZ PHE 13 4.865 -14.313 -3.632 110 H PHE 14 H PHE 14 2.186 -7.207 -4.722 111 HA PHE 14 HA PHE 14 1.089 -5.047 -2.999 112 HB2 PHE 14 HB2 PHE 14 2.118 -4.811 -5.805 113 HB3 PHE 14 HB3 PHE 14 1.481 -3.502 -4.819 114 HD1 PHE 14 HD1 PHE 14 2.817 -2.910 -2.733 115 HD2 PHE 14 HD2 PHE 14 4.341 -5.286 -5.871 116 HE1 PHE 14 HE1 PHE 14 5.068 -2.410 -1.982 117 HE2 PHE 14 HE2 PHE 14 6.622 -4.812 -5.151 118 HZ PHE 14 HZ PHE 14 7.014 -3.359 -3.184 119 H GLU 15 H GLU 15 -0.971 -4.356 -3.590 120 HA GLU 15 HA GLU 15 -2.489 -6.280 -4.919 121 HB2 GLU 15 HB2 GLU 15 -3.204 -5.094 -2.950 122 HB3 GLU 15 HB3 GLU 15 -3.022 -3.559 -3.782 123 HG2 GLU 15 HG2 GLU 15 -5.239 -4.235 -3.565 124 HG3 GLU 15 HG3 GLU 15 -4.768 -4.115 -5.269 125 H SER 16 H SER 16 -3.099 -6.249 -6.971 126 HA SER 16 HA SER 16 -2.034 -4.208 -8.708 127 HB2 SER 16 HB2 SER 16 -2.710 -5.818 -10.491 128 HB3 SER 16 HB3 SER 16 -1.575 -6.483 -9.316 129 HG SER 16 HG SER 16 -3.467 -7.779 -9.928 130 H HIS 17 H HIS 17 -4.939 -4.873 -7.133 131 HA HIS 17 HA HIS 17 -6.284 -3.017 -8.921 132 HB2 HIS 17 HB2 HIS 17 -7.490 -5.593 -7.912 133 HB3 HIS 17 HB3 HIS 17 -8.430 -4.297 -8.631 134 HD1 HIS 17 HD1 HIS 17 -6.497 -7.272 -9.486 135 HD2 HIS 17 HD2 HIS 17 -7.698 -3.787 -11.410 136 HE1 HIS 17 HE1 HIS 17 -6.203 -7.709 -11.906 137 HE2 HIS 17 HE2 HIS 17 -7.278 -5.757 -13.022 138 H VAL 18 H VAL 18 -6.444 -1.277 -7.582 139 HA VAL 18 HA VAL 18 -7.710 -1.719 -4.954 140 HB VAL 18 HB VAL 18 -5.659 0.435 -5.536 141 HG11 VAL 18 HG11 VAL 18 -6.943 -0.427 -2.943 142 HG12 VAL 18 HG12 VAL 18 -7.249 1.067 -3.822 143 HG13 VAL 18 HG13 VAL 18 -5.666 0.783 -3.092 144 HG21 VAL 18 HG21 VAL 18 -4.106 -0.792 -4.119 145 HG22 VAL 18 HG22 VAL 18 -4.559 -1.740 -5.533 146 HG23 VAL 18 HG23 VAL 18 -5.276 -2.106 -3.959 147 H ALA 19 H ALA 19 -9.453 -0.401 -4.573 148 HA ALA 19 HA ALA 19 -10.103 1.530 -6.641 149 HB1 ALA 19 HB1 ALA 19 -11.723 0.453 -4.322 150 HB2 ALA 19 HB2 ALA 19 -11.842 -0.088 -5.998 151 HB3 ALA 19 HB3 ALA 19 -12.322 1.551 -5.564 152 H ARG 20 H ARG 20 -10.004 3.684 -6.235 153 HA ARG 20 HA ARG 20 -8.608 4.542 -3.918 154 HB2 ARG 20 HB2 ARG 20 -8.374 5.600 -6.133 155 HB3 ARG 20 HB3 ARG 20 -10.015 6.193 -6.017 156 HG2 ARG 20 HG2 ARG 20 -9.442 7.671 -4.216 157 HG3 ARG 20 HG3 ARG 20 -7.831 6.959 -4.082 158 HD2 ARG 20 HD2 ARG 20 -7.267 7.693 -6.252 159 HD3 ARG 20 HD3 ARG 20 -8.869 8.393 -6.529 160 HE ARG 20 HE ARG 20 -7.528 9.453 -4.231 161 HH11 ARG 20 HH11 ARG 20 -7.724 9.763 -7.780 162 HH12 ARG 20 HH12 ARG 20 -7.169 11.370 -7.792 163 HH21 ARG 20 HH21 ARG 20 -6.783 11.646 -4.291 164 HH22 ARG 20 HH22 ARG 20 -6.658 12.477 -5.792 165 H ALA 21 H ALA 21 -11.842 4.048 -4.600 166 HA ALA 21 HA ALA 21 -12.911 5.765 -2.560 167 HB1 ALA 21 HB1 ALA 21 -14.174 3.396 -3.941 168 HB2 ALA 21 HB2 ALA 21 -14.266 5.068 -4.482 169 HB3 ALA 21 HB3 ALA 21 -15.016 4.594 -2.957 170 H ASN 22 H ASN 22 -11.248 2.770 -2.556 171 HA ASN 22 HA ASN 22 -12.422 2.008 0.041 172 HB2 ASN 22 HB2 ASN 22 -12.513 0.371 -1.874 173 HB3 ASN 22 HB3 ASN 22 -10.752 0.318 -1.801 174 HD21 ASN 22 HD21 ASN 22 -10.476 -1.662 -1.120 175 HD22 ASN 22 HD22 ASN 22 -11.050 -2.353 0.340 176 H VAL 23 H VAL 23 -9.882 3.732 -1.112 177 HA VAL 23 HA VAL 23 -7.898 2.484 0.619 178 HB VAL 23 HB VAL 23 -7.125 3.271 -1.598 179 HG11 VAL 23 HG11 VAL 23 -6.851 5.644 -2.088 180 HG12 VAL 23 HG12 VAL 23 -7.714 6.046 -0.605 181 HG13 VAL 23 HG13 VAL 23 -8.550 5.210 -1.908 182 HG21 VAL 23 HG21 VAL 23 -5.115 4.420 -0.839 183 HG22 VAL 23 HG22 VAL 23 -5.573 3.100 0.241 184 HG23 VAL 23 HG23 VAL 23 -5.904 4.764 0.708 185 H LYS 24 H LYS 24 -7.821 2.840 2.579 186 HA LYS 24 HA LYS 24 -9.068 5.097 3.800 187 HB2 LYS 24 HB2 LYS 24 -9.221 2.912 4.861 188 HB3 LYS 24 HB3 LYS 24 -7.476 2.801 4.939 189 HG2 LYS 24 HG2 LYS 24 -8.511 3.280 7.091 190 HG3 LYS 24 HG3 LYS 24 -7.407 4.573 6.583 191 HD2 LYS 24 HD2 LYS 24 -9.300 5.856 5.818 192 HD3 LYS 24 HD3 LYS 24 -10.411 4.577 6.334 193 HE2 LYS 24 HE2 LYS 24 -9.622 4.889 8.658 194 HE3 LYS 24 HE3 LYS 24 -8.554 6.169 8.112 195 HZ1 LYS 24 HZ1 LYS 24 -10.469 7.465 7.452 196 HZ2 LYS 24 HZ2 LYS 24 -10.593 7.022 9.067 197 HZ3 LYS 24 HZ3 LYS 24 -11.511 6.220 7.912 198 H HIS 25 H HIS 25 -5.724 3.862 4.209 199 HA HIS 25 HA HIS 25 -4.952 6.664 4.148 200 HB2 HIS 25 HB2 HIS 25 -3.271 6.355 5.897 201 HB3 HIS 25 HB3 HIS 25 -4.891 6.067 6.551 202 HD1 HIS 25 HD1 HIS 25 -2.420 5.342 8.065 203 HD2 HIS 25 HD2 HIS 25 -4.151 2.782 5.329 204 HE1 HIS 25 HE1 HIS 25 -1.659 3.053 8.738 205 HE2 HIS 25 HE2 HIS 25 -2.386 1.609 6.925 206 H LEU 26 H LEU 26 -3.120 7.256 3.228 207 HA LEU 26 HA LEU 26 -1.819 5.233 1.578 208 HB2 LEU 26 HB2 LEU 26 -1.890 8.250 1.373 209 HB3 LEU 26 HB3 LEU 26 -0.844 7.253 0.398 210 HG LEU 26 HG LEU 26 -2.701 7.958 -0.912 211 HD11 LEU 26 HD11 LEU 26 -3.620 5.857 -1.677 212 HD12 LEU 26 HD12 LEU 26 -2.999 5.057 -0.230 213 HD13 LEU 26 HD13 LEU 26 -1.884 5.774 -1.398 214 HD21 LEU 26 HD21 LEU 26 -4.333 8.432 0.837 215 HD22 LEU 26 HD22 LEU 26 -4.514 6.710 1.160 216 HD23 LEU 26 HD23 LEU 26 -5.035 7.372 -0.389 217 H LYS 27 H LYS 27 0.175 4.662 1.931 218 HA LYS 27 HA LYS 27 1.983 6.338 3.482 219 HB2 LYS 27 HB2 LYS 27 0.944 4.851 5.054 220 HB3 LYS 27 HB3 LYS 27 1.198 3.448 4.047 221 HG2 LYS 27 HG2 LYS 27 3.664 3.795 4.372 222 HG3 LYS 27 HG3 LYS 27 3.276 5.085 5.508 223 HD2 LYS 27 HD2 LYS 27 2.478 2.174 5.762 224 HD3 LYS 27 HD3 LYS 27 3.724 3.002 6.692 225 HE2 LYS 27 HE2 LYS 27 0.761 3.617 6.746 226 HE3 LYS 27 HE3 LYS 27 1.663 2.753 7.979 227 HZ1 LYS 27 HZ1 LYS 27 2.968 4.750 8.383 228 HZ2 LYS 27 HZ2 LYS 27 1.331 5.052 8.586 229 HZ3 LYS 27 HZ3 LYS 27 2.107 5.587 7.203 230 H ILE 28 H ILE 28 3.897 6.372 2.284 231 HA ILE 28 HA ILE 28 4.356 4.038 0.574 232 HB ILE 28 HB ILE 28 4.908 6.898 -0.280 233 HG12 ILE 28 HG12 ILE 28 2.876 4.898 -1.265 234 HG13 ILE 28 HG13 ILE 28 2.509 6.362 -0.362 235 HG21 ILE 28 HG21 ILE 28 6.561 5.278 -1.138 236 HG22 ILE 28 HG22 ILE 28 5.537 5.883 -2.449 237 HG23 ILE 28 HG23 ILE 28 5.241 4.285 -1.768 238 HD11 ILE 28 HD11 ILE 28 3.646 6.197 -3.147 239 HD12 ILE 28 HD12 ILE 28 3.326 7.700 -2.274 240 HD13 ILE 28 HD13 ILE 28 1.995 6.626 -2.717 241 H LEU 29 H LEU 29 6.143 3.067 0.977 242 HA LEU 29 HA LEU 29 8.239 4.529 2.396 243 HB2 LEU 29 HB2 LEU 29 7.139 2.913 3.828 244 HB3 LEU 29 HB3 LEU 29 7.382 1.656 2.637 245 HG LEU 29 HG LEU 29 9.769 1.655 3.042 246 HD11 LEU 29 HD11 LEU 29 10.759 3.042 4.816 247 HD12 LEU 29 HD12 LEU 29 9.210 3.842 5.051 248 HD13 LEU 29 HD13 LEU 29 10.082 4.048 3.532 249 HD21 LEU 29 HD21 LEU 29 9.775 0.865 5.341 250 HD22 LEU 29 HD22 LEU 29 8.358 0.279 4.473 251 HD23 LEU 29 HD23 LEU 29 8.202 1.615 5.615 252 H ASN 30 H ASN 30 9.883 4.893 1.141 253 HA ASN 30 HA ASN 30 10.525 3.110 -1.052 254 HB2 ASN 30 HB2 ASN 30 12.264 4.791 -1.644 255 HB3 ASN 30 HB3 ASN 30 10.667 5.520 -1.530 256 HD21 ASN 30 HD21 ASN 30 10.251 6.967 0.150 257 HD22 ASN 30 HD22 ASN 30 11.505 7.649 1.101 258 H THR 31 H THR 31 12.185 1.696 -1.069 259 HA THR 31 HA THR 31 13.786 1.625 1.365 260 HB THR 31 HB THR 31 12.698 -0.621 -0.341 261 HG1 THR 31 HG1 THR 31 11.472 0.888 1.311 262 HG21 THR 31 HG21 THR 31 13.327 -2.046 1.540 263 HG22 THR 31 HG22 THR 31 14.038 -0.655 2.362 264 HG23 THR 31 HG23 THR 31 14.746 -1.257 0.847 265 HA PRO 32 HA PRO 32 17.152 2.238 -1.519 266 HB2 PRO 32 HB2 PRO 32 19.248 1.340 -0.069 267 HB3 PRO 32 HB3 PRO 32 18.374 2.801 0.388 268 HG2 PRO 32 HG2 PRO 32 18.061 0.027 1.449 269 HG3 PRO 32 HG3 PRO 32 18.229 1.556 2.339 270 HD2 PRO 32 HD2 PRO 32 15.850 0.419 1.960 271 HD3 PRO 32 HD3 PRO 32 16.075 2.178 1.935 272 H ASN 33 H ASN 33 16.592 -0.888 -0.243 273 HA ASN 33 HA ASN 33 18.234 -2.147 -2.324 274 HB2 ASN 33 HB2 ASN 33 18.633 -3.915 -0.526 275 HB3 ASN 33 HB3 ASN 33 19.431 -2.358 -0.312 276 HD21 ASN 33 HD21 ASN 33 19.489 -1.978 1.773 277 HD22 ASN 33 HD22 ASN 33 18.180 -2.068 2.877 278 H CYS 34 H CYS 34 15.220 -1.528 -1.720 279 HA CYS 34 HA CYS 34 14.255 -3.973 -2.814 280 HB2 CYS 34 HB2 CYS 34 13.147 -2.463 -0.471 281 HB3 CYS 34 HB3 CYS 34 12.192 -3.566 -1.445 282 H ALA 35 H ALA 35 11.886 -3.369 -3.479 283 HA ALA 35 HA ALA 35 12.102 -1.204 -5.314 284 HB1 ALA 35 HB1 ALA 35 9.842 -1.915 -5.979 285 HB2 ALA 35 HB2 ALA 35 9.782 -2.977 -4.574 286 HB3 ALA 35 HB3 ALA 35 10.941 -3.293 -5.866 287 H LEU 36 H LEU 36 9.688 -0.048 -5.363 288 HA LEU 36 HA LEU 36 9.641 1.551 -2.956 289 HB2 LEU 36 HB2 LEU 36 9.596 2.635 -5.162 290 HB3 LEU 36 HB3 LEU 36 8.122 1.777 -5.553 291 HG LEU 36 HG LEU 36 6.982 2.980 -3.707 292 HD11 LEU 36 HD11 LEU 36 8.048 4.977 -2.777 293 HD12 LEU 36 HD12 LEU 36 9.554 4.530 -3.570 294 HD13 LEU 36 HD13 LEU 36 8.880 3.492 -2.316 295 HD21 LEU 36 HD21 LEU 36 6.812 3.736 -5.991 296 HD22 LEU 36 HD22 LEU 36 8.279 4.702 -5.798 297 HD23 LEU 36 HD23 LEU 36 6.828 5.103 -4.867 298 H GLN 37 H GLN 37 8.387 0.885 -1.350 299 HA GLN 37 HA GLN 37 6.078 -0.751 -2.001 300 HB2 GLN 37 HB2 GLN 37 7.487 -0.311 0.615 301 HB3 GLN 37 HB3 GLN 37 5.880 -1.006 0.554 302 HG2 GLN 37 HG2 GLN 37 7.446 -2.798 0.739 303 HG3 GLN 37 HG3 GLN 37 6.770 -2.796 -0.880 304 HE21 GLN 37 HE21 GLN 37 9.282 -0.617 0.169 305 HE22 GLN 37 HE22 GLN 37 10.469 -1.358 -0.848 306 H ILE 38 H ILE 38 4.130 -0.007 -2.033 307 HA ILE 38 HA ILE 38 3.521 2.481 -0.613 308 HB ILE 38 HB ILE 38 1.998 1.063 -2.825 309 HG12 ILE 38 HG12 ILE 38 3.589 3.637 -2.962 310 HG13 ILE 38 HG13 ILE 38 4.097 2.090 -3.633 311 HG21 ILE 38 HG21 ILE 38 0.470 2.245 -1.383 312 HG22 ILE 38 HG22 ILE 38 0.597 3.103 -2.912 313 HG23 ILE 38 HG23 ILE 38 1.420 3.716 -1.480 314 HD11 ILE 38 HD11 ILE 38 1.701 3.698 -4.474 315 HD12 ILE 38 HD12 ILE 38 2.194 2.148 -5.165 316 HD13 ILE 38 HD13 ILE 38 3.229 3.571 -5.342 317 H VAL 39 H VAL 39 2.156 2.282 1.078 318 HA VAL 39 HA VAL 39 0.847 -0.315 1.474 319 HB VAL 39 HB VAL 39 1.878 1.581 3.617 320 HG11 VAL 39 HG11 VAL 39 0.675 -1.173 3.864 321 HG12 VAL 39 HG12 VAL 39 -0.080 0.329 4.357 322 HG13 VAL 39 HG13 VAL 39 1.361 -0.240 5.187 323 HG21 VAL 39 HG21 VAL 39 3.738 0.495 2.472 324 HG22 VAL 39 HG22 VAL 39 2.989 -1.082 2.726 325 HG23 VAL 39 HG23 VAL 39 3.562 -0.144 4.104 326 H ALA 40 H ALA 40 -1.280 -0.266 1.912 327 HA ALA 40 HA ALA 40 -2.649 2.284 2.446 328 HB1 ALA 40 HB1 ALA 40 -2.618 2.068 0.035 329 HB2 ALA 40 HB2 ALA 40 -4.236 1.807 0.690 330 HB3 ALA 40 HB3 ALA 40 -3.261 0.429 0.178 331 H ARG 41 H ARG 41 -4.682 1.966 3.297 332 HA ARG 41 HA ARG 41 -5.144 -0.817 4.094 333 HB2 ARG 41 HB2 ARG 41 -4.618 0.867 6.032 334 HB3 ARG 41 HB3 ARG 41 -6.142 1.560 5.675 335 HG2 ARG 41 HG2 ARG 41 -7.344 -0.428 6.183 336 HG3 ARG 41 HG3 ARG 41 -5.861 -1.367 6.277 337 HD2 ARG 41 HD2 ARG 41 -6.541 -0.981 8.497 338 HD3 ARG 41 HD3 ARG 41 -5.186 0.096 8.171 339 HE ARG 41 HE ARG 41 -7.801 1.250 7.792 340 HH11 ARG 41 HH11 ARG 41 -5.046 0.853 9.959 341 HH12 ARG 41 HH12 ARG 41 -5.599 1.957 11.119 342 HH21 ARG 41 HH21 ARG 41 -8.607 2.771 9.414 343 HH22 ARG 41 HH22 ARG 41 -7.696 3.080 10.800 344 H LEU 42 H LEU 42 -7.012 -1.706 3.667 345 HA LEU 42 HA LEU 42 -8.768 -0.325 1.862 346 HB2 LEU 42 HB2 LEU 42 -9.141 -2.978 3.263 347 HB3 LEU 42 HB3 LEU 42 -10.052 -2.429 1.899 348 HG LEU 42 HG LEU 42 -7.131 -3.135 1.915 349 HD11 LEU 42 HD11 LEU 42 -7.808 -4.991 0.490 350 HD12 LEU 42 HD12 LEU 42 -9.494 -4.513 0.687 351 HD13 LEU 42 HD13 LEU 42 -8.552 -5.056 2.079 352 HD21 LEU 42 HD21 LEU 42 -7.214 -2.849 -0.514 353 HD22 LEU 42 HD22 LEU 42 -7.537 -1.334 0.330 354 HD23 LEU 42 HD23 LEU 42 -8.870 -2.249 -0.379 355 H LYS 43 H LYS 43 -10.855 0.423 2.334 356 HA LYS 43 HA LYS 43 -11.276 1.122 5.060 357 HB2 LYS 43 HB2 LYS 43 -13.012 1.540 2.637 358 HB3 LYS 43 HB3 LYS 43 -13.259 2.282 4.217 359 HG2 LYS 43 HG2 LYS 43 -11.127 3.445 4.008 360 HG3 LYS 43 HG3 LYS 43 -10.854 2.677 2.445 361 HD2 LYS 43 HD2 LYS 43 -11.659 4.942 2.129 362 HD3 LYS 43 HD3 LYS 43 -12.888 3.799 1.590 363 HE2 LYS 43 HE2 LYS 43 -14.067 4.056 3.693 364 HE3 LYS 43 HE3 LYS 43 -12.792 5.131 4.256 365 HZ1 LYS 43 HZ1 LYS 43 -14.698 6.388 3.490 366 HZ2 LYS 43 HZ2 LYS 43 -14.662 5.661 1.987 367 HZ3 LYS 43 HZ3 LYS 43 -13.402 6.687 2.464 368 H ASN 44 H ASN 44 -13.047 -0.887 2.702 369 HA ASN 44 HA ASN 44 -14.998 -1.692 4.680 370 HB2 ASN 44 HB2 ASN 44 -15.737 -1.465 2.399 371 HB3 ASN 44 HB3 ASN 44 -14.534 -2.622 1.849 372 HD21 ASN 44 HD21 ASN 44 -14.923 -4.830 2.132 373 HD22 ASN 44 HD22 ASN 44 -16.471 -5.437 2.601 374 H ASN 45 H ASN 45 -12.217 -3.261 3.176 375 HA ASN 45 HA ASN 45 -12.767 -5.654 4.765 376 HB2 ASN 45 HB2 ASN 45 -12.062 -5.889 2.370 377 HB3 ASN 45 HB3 ASN 45 -10.505 -5.194 2.794 378 HD21 ASN 45 HD21 ASN 45 -9.455 -7.087 2.060 379 HD22 ASN 45 HD22 ASN 45 -9.508 -8.548 2.968 380 H ASN 46 H ASN 46 -10.910 -2.860 4.875 381 HA ASN 46 HA ASN 46 -9.514 -1.888 6.388 382 HB2 ASN 46 HB2 ASN 46 -11.387 -2.608 7.926 383 HB3 ASN 46 HB3 ASN 46 -10.451 -4.042 8.307 384 HD21 ASN 46 HD21 ASN 46 -8.676 -3.848 9.696 385 HD22 ASN 46 HD22 ASN 46 -8.325 -2.402 10.568 386 H ARG 47 H ARG 47 -8.626 -4.811 5.078 387 HA ARG 47 HA ARG 47 -6.394 -5.219 6.658 388 HB2 ARG 47 HB2 ARG 47 -7.125 -5.988 3.885 389 HB3 ARG 47 HB3 ARG 47 -5.654 -6.512 4.690 390 HG2 ARG 47 HG2 ARG 47 -7.026 -7.509 6.463 391 HG3 ARG 47 HG3 ARG 47 -8.471 -7.094 5.534 392 HD2 ARG 47 HD2 ARG 47 -7.808 -8.408 3.724 393 HD3 ARG 47 HD3 ARG 47 -6.192 -8.519 4.443 394 HE ARG 47 HE ARG 47 -8.150 -9.637 6.156 395 HH11 ARG 47 HH11 ARG 47 -6.376 -10.452 3.185 396 HH12 ARG 47 HH12 ARG 47 -6.458 -12.127 3.447 397 HH21 ARG 47 HH21 ARG 47 -8.214 -11.938 6.521 398 HH22 ARG 47 HH22 ARG 47 -7.507 -12.999 5.395 399 H GLN 48 H GLN 48 -4.454 -4.349 6.544 400 HA GLN 48 HA GLN 48 -4.067 -2.213 4.677 401 HB2 GLN 48 HB2 GLN 48 -3.437 -2.020 7.124 402 HB3 GLN 48 HB3 GLN 48 -2.160 -3.204 6.801 403 HG2 GLN 48 HG2 GLN 48 -1.244 -1.701 5.195 404 HG3 GLN 48 HG3 GLN 48 -2.602 -0.613 5.497 405 HE21 GLN 48 HE21 GLN 48 -0.962 -2.373 8.043 406 HE22 GLN 48 HE22 GLN 48 -0.245 -0.990 8.774 407 H VAL 49 H VAL 49 -3.186 -2.573 2.847 408 HA VAL 49 HA VAL 49 -1.543 -4.965 2.457 409 HB VAL 49 HB VAL 49 -2.482 -5.094 0.153 410 HG11 VAL 49 HG11 VAL 49 -4.666 -6.047 0.773 411 HG12 VAL 49 HG12 VAL 49 -4.545 -5.273 2.355 412 HG13 VAL 49 HG13 VAL 49 -3.401 -6.533 1.900 413 HG21 VAL 49 HG21 VAL 49 -3.217 -2.780 -0.105 414 HG22 VAL 49 HG22 VAL 49 -4.443 -3.015 1.141 415 HG23 VAL 49 HG23 VAL 49 -4.563 -3.887 -0.386 416 H CYS 50 H CYS 50 -0.560 -4.608 0.087 417 HA CYS 50 HA CYS 50 0.642 -1.959 0.194 418 HB2 CYS 50 HB2 CYS 50 1.816 -4.455 -1.057 419 HB3 CYS 50 HB3 CYS 50 2.549 -2.885 -0.843 420 H ILE 51 H ILE 51 1.075 -0.955 -1.804 421 HA ILE 51 HA ILE 51 -0.738 -1.832 -3.921 422 HB ILE 51 HB ILE 51 -0.108 0.998 -3.077 423 HG12 ILE 51 HG12 ILE 51 -2.501 -0.760 -2.876 424 HG13 ILE 51 HG13 ILE 51 -1.641 0.045 -1.602 425 HG21 ILE 51 HG21 ILE 51 -0.286 0.891 -5.496 426 HG22 ILE 51 HG22 ILE 51 -1.701 1.698 -4.810 427 HG23 ILE 51 HG23 ILE 51 -1.817 0.022 -5.341 428 HD11 ILE 51 HD11 ILE 51 -2.368 2.249 -2.368 429 HD12 ILE 51 HD12 ILE 51 -3.755 1.220 -2.010 430 HD13 ILE 51 HD13 ILE 51 -3.277 1.501 -3.683 431 H ASP 52 H ASP 52 -0.101 -1.711 -5.951 432 HA ASP 52 HA ASP 52 2.707 -1.702 -6.472 433 HB2 ASP 52 HB2 ASP 52 1.261 -3.318 -7.381 434 HB3 ASP 52 HB3 ASP 52 0.277 -2.100 -8.199 435 HA PRO 53 HA PRO 53 2.763 2.637 -7.529 436 HB2 PRO 53 HB2 PRO 53 5.283 2.771 -8.459 437 HB3 PRO 53 HB3 PRO 53 4.922 2.541 -6.741 438 HG2 PRO 53 HG2 PRO 53 5.651 0.492 -8.803 439 HG3 PRO 53 HG3 PRO 53 6.288 0.695 -7.157 440 HD2 PRO 53 HD2 PRO 53 4.384 -1.121 -7.762 441 HD3 PRO 53 HD3 PRO 53 4.446 -0.298 -6.189 442 H LYS 54 H LYS 54 2.221 0.319 -9.704 443 HA LYS 54 HA LYS 54 2.592 2.148 -11.952 444 HB2 LYS 54 HB2 LYS 54 2.445 -0.860 -11.945 445 HB3 LYS 54 HB3 LYS 54 2.480 0.118 -13.406 446 HG2 LYS 54 HG2 LYS 54 4.666 0.994 -12.807 447 HG3 LYS 54 HG3 LYS 54 4.634 0.088 -11.300 448 HD2 LYS 54 HD2 LYS 54 4.554 -1.145 -14.054 449 HD3 LYS 54 HD3 LYS 54 6.010 -0.962 -13.080 450 HE2 LYS 54 HE2 LYS 54 4.992 -2.361 -11.332 451 HE3 LYS 54 HE3 LYS 54 3.561 -2.554 -12.346 452 HZ1 LYS 54 HZ1 LYS 54 6.297 -3.421 -13.110 453 HZ2 LYS 54 HZ2 LYS 54 4.880 -3.658 -13.991 454 HZ3 LYS 54 HZ3 LYS 54 5.088 -4.442 -12.517 455 H LEU 55 H LEU 55 0.249 1.401 -9.826 456 HA LEU 55 HA LEU 55 -1.908 0.877 -11.539 457 HB2 LEU 55 HB2 LEU 55 -1.657 2.086 -8.843 458 HB3 LEU 55 HB3 LEU 55 -3.204 1.966 -9.602 459 HG LEU 55 HG LEU 55 -1.413 -0.326 -8.765 460 HD11 LEU 55 HD11 LEU 55 -4.120 0.592 -7.815 461 HD12 LEU 55 HD12 LEU 55 -2.592 0.876 -6.982 462 HD13 LEU 55 HD13 LEU 55 -3.188 -0.780 -7.183 463 HD21 LEU 55 HD21 LEU 55 -3.251 -1.753 -9.426 464 HD22 LEU 55 HD22 LEU 55 -2.640 -0.851 -10.817 465 HD23 LEU 55 HD23 LEU 55 -4.135 -0.351 -10.008 466 H LYS 56 H LYS 56 -3.360 2.201 -12.423 467 HA LYS 56 HA LYS 56 -2.353 4.454 -13.729 468 HB2 LYS 56 HB2 LYS 56 -4.106 2.985 -14.617 469 HB3 LYS 56 HB3 LYS 56 -5.221 3.589 -13.405 470 HG2 LYS 56 HG2 LYS 56 -5.116 5.808 -14.396 471 HG3 LYS 56 HG3 LYS 56 -3.961 5.220 -15.596 472 HD2 LYS 56 HD2 LYS 56 -5.631 3.612 -16.404 473 HD3 LYS 56 HD3 LYS 56 -6.789 4.235 -15.225 474 HE2 LYS 56 HE2 LYS 56 -6.679 6.427 -16.285 475 HE3 LYS 56 HE3 LYS 56 -5.496 5.811 -17.439 476 HZ1 LYS 56 HZ1 LYS 56 -8.298 4.857 -17.172 477 HZ2 LYS 56 HZ2 LYS 56 -7.161 4.272 -18.250 478 HZ3 LYS 56 HZ3 LYS 56 -7.696 5.869 -18.385 479 H TRP 57 H TRP 57 -4.685 4.291 -11.044 480 HA TRP 57 HA TRP 57 -4.868 7.150 -10.961 481 HB2 TRP 57 HB2 TRP 57 -6.310 6.875 -9.030 482 HB3 TRP 57 HB3 TRP 57 -6.773 5.727 -10.269 483 HD1 TRP 57 HD1 TRP 57 -6.300 3.049 -9.686 484 HE1 TRP 57 HE1 TRP 57 -6.066 1.894 -7.428 485 HE3 TRP 57 HE3 TRP 57 -5.362 7.137 -6.758 486 HZ2 TRP 57 HZ2 TRP 57 -5.539 2.576 -4.776 487 HZ3 TRP 57 HZ3 TRP 57 -5.005 6.796 -4.357 488 HH2 TRP 57 HH2 TRP 57 -5.092 4.603 -3.378 489 H ILE 58 H ILE 58 -2.891 4.774 -9.537 490 HA ILE 58 HA ILE 58 -1.829 6.313 -7.416 491 HB ILE 58 HB ILE 58 -0.831 3.897 -8.914 492 HG12 ILE 58 HG12 ILE 58 -2.679 3.510 -7.402 493 HG13 ILE 58 HG13 ILE 58 -1.221 2.725 -6.813 494 HG21 ILE 58 HG21 ILE 58 0.948 3.600 -7.308 495 HG22 ILE 58 HG22 ILE 58 0.620 5.201 -6.633 496 HG23 ILE 58 HG23 ILE 58 1.180 5.038 -8.302 497 HD11 ILE 58 HD11 ILE 58 -0.888 4.542 -5.208 498 HD12 ILE 58 HD12 ILE 58 -2.442 3.740 -4.987 499 HD13 ILE 58 HD13 ILE 58 -2.366 5.317 -5.769 500 H GLN 59 H GLN 59 -1.125 6.041 -10.811 501 HA GLN 59 HA GLN 59 1.334 7.424 -10.832 502 HB2 GLN 59 HB2 GLN 59 -0.797 7.548 -12.953 503 HB3 GLN 59 HB3 GLN 59 0.918 7.908 -13.127 504 HG2 GLN 59 HG2 GLN 59 -0.326 5.207 -12.649 505 HG3 GLN 59 HG3 GLN 59 0.438 5.772 -14.132 506 HE21 GLN 59 HE21 GLN 59 0.883 4.624 -10.971 507 HE22 GLN 59 HE22 GLN 59 2.580 4.312 -11.026 508 H GLU 60 H GLU 60 -2.017 8.473 -10.947 509 HA GLU 60 HA GLU 60 -1.558 11.238 -11.272 510 HB2 GLU 60 HB2 GLU 60 -3.871 9.835 -9.936 511 HB3 GLU 60 HB3 GLU 60 -3.859 11.506 -10.467 512 HG2 GLU 60 HG2 GLU 60 -3.592 10.724 -12.792 513 HG3 GLU 60 HG3 GLU 60 -3.701 9.063 -12.209 514 H TYR 61 H TYR 61 -2.051 9.167 -8.455 515 HA TYR 61 HA TYR 61 -1.991 11.173 -6.518 516 HB2 TYR 61 HB2 TYR 61 -2.756 8.878 -6.008 517 HB3 TYR 61 HB3 TYR 61 -1.106 8.292 -6.207 518 HD1 TYR 61 HD1 TYR 61 -3.165 10.619 -4.161 519 HD2 TYR 61 HD2 TYR 61 0.358 8.244 -4.357 520 HE1 TYR 61 HE1 TYR 61 -2.716 11.093 -1.792 521 HE2 TYR 61 HE2 TYR 61 0.818 8.718 -1.991 522 HH TYR 61 HH TYR 61 0.287 10.358 -0.323 523 H LEU 62 H LEU 62 0.657 9.215 -7.831 524 HA LEU 62 HA LEU 62 2.619 10.474 -6.239 525 HB2 LEU 62 HB2 LEU 62 2.798 8.756 -8.673 526 HB3 LEU 62 HB3 LEU 62 4.214 9.611 -8.108 527 HG LEU 62 HG LEU 62 4.068 8.428 -5.943 528 HD11 LEU 62 HD11 LEU 62 1.794 6.947 -7.186 529 HD12 LEU 62 HD12 LEU 62 1.713 8.055 -5.822 530 HD13 LEU 62 HD13 LEU 62 2.593 6.531 -5.660 531 HD21 LEU 62 HD21 LEU 62 5.434 7.558 -7.706 532 HD22 LEU 62 HD22 LEU 62 4.058 6.641 -8.343 533 HD23 LEU 62 HD23 LEU 62 4.728 6.242 -6.754 534 H GLU 63 H GLU 63 1.457 11.124 -9.541 535 HA GLU 63 HA GLU 63 3.299 13.074 -10.161 536 HB2 GLU 63 HB2 GLU 63 1.818 12.135 -11.840 537 HB3 GLU 63 HB3 GLU 63 0.413 12.784 -11.000 538 HG2 GLU 63 HG2 GLU 63 1.230 15.025 -11.366 539 HG3 GLU 63 HG3 GLU 63 2.609 14.372 -12.248 540 H LYS 64 H LYS 64 0.143 13.374 -8.532 541 HA LYS 64 HA LYS 64 0.494 16.127 -8.408 542 HB2 LYS 64 HB2 LYS 64 -1.401 16.270 -6.918 543 HB3 LYS 64 HB3 LYS 64 -1.732 15.194 -8.260 544 HG2 LYS 64 HG2 LYS 64 -1.296 13.295 -6.749 545 HG3 LYS 64 HG3 LYS 64 -1.138 14.451 -5.419 546 HD2 LYS 64 HD2 LYS 64 -3.357 15.330 -5.980 547 HD3 LYS 64 HD3 LYS 64 -3.515 14.057 -7.192 548 HE2 LYS 64 HE2 LYS 64 -4.653 13.312 -5.235 549 HE3 LYS 64 HE3 LYS 64 -3.133 12.415 -5.400 550 HZ1 LYS 64 HZ1 LYS 64 -3.604 14.714 -3.601 551 HZ2 LYS 64 HZ2 LYS 64 -2.134 13.909 -3.728 552 HZ3 LYS 64 HZ3 LYS 64 -3.501 13.132 -3.104 553 H ALA 65 H ALA 65 1.316 13.556 -6.192 554 HA ALA 65 HA ALA 65 2.021 15.152 -4.014 555 HB1 ALA 65 HB1 ALA 65 3.298 13.232 -3.218 556 HB2 ALA 65 HB2 ALA 65 3.205 12.500 -4.819 557 HB3 ALA 65 HB3 ALA 65 1.739 12.720 -3.866 558 H LEU 66 H LEU 66 3.998 14.034 -6.762 559 HA LEU 66 HA LEU 66 6.244 15.523 -5.696 560 HB2 LEU 66 HB2 LEU 66 7.606 14.428 -7.476 561 HB3 LEU 66 HB3 LEU 66 6.864 13.342 -6.323 562 HG LEU 66 HG LEU 66 5.159 12.800 -8.085 563 HD11 LEU 66 HD11 LEU 66 5.348 14.745 -9.479 564 HD12 LEU 66 HD12 LEU 66 5.686 13.286 -10.418 565 HD13 LEU 66 HD13 LEU 66 7.008 14.332 -9.894 566 HD21 LEU 66 HD21 LEU 66 7.012 11.327 -7.624 567 HD22 LEU 66 HD22 LEU 66 8.041 12.241 -8.726 568 HD23 LEU 66 HD23 LEU 66 6.659 11.341 -9.351 569 H ASN 67 H ASN 67 3.885 16.101 -8.078 570 HA ASN 67 HA ASN 67 5.618 18.197 -9.229 571 HB2 ASN 67 HB2 ASN 67 5.331 16.412 -10.836 572 HB3 ASN 67 HB3 ASN 67 3.589 16.460 -10.639 573 HD21 ASN 67 HD21 ASN 67 3.298 16.762 -12.842 574 HD22 ASN 67 HD22 ASN 67 3.643 18.249 -13.635 575 H LYS 68 H LYS 68 2.382 17.492 -7.962 576 HA LYS 68 HA LYS 68 1.520 20.134 -8.902 577 HB2 LYS 68 HB2 LYS 68 0.220 18.067 -9.587 578 HB3 LYS 68 HB3 LYS 68 -0.118 17.831 -7.883 579 HG2 LYS 68 HG2 LYS 68 -1.439 19.825 -7.808 580 HG3 LYS 68 HG3 LYS 68 -1.014 20.210 -9.483 581 HD2 LYS 68 HD2 LYS 68 -2.043 18.076 -10.198 582 HD3 LYS 68 HD3 LYS 68 -2.536 17.786 -8.537 583 HE2 LYS 68 HE2 LYS 68 -3.957 19.727 -8.570 584 HE3 LYS 68 HE3 LYS 68 -3.380 20.170 -10.180 585 HZ1 LYS 68 HZ1 LYS 68 -5.526 19.071 -10.300 586 HZ2 LYS 68 HZ2 LYS 68 -4.936 17.719 -9.505 587 HZ3 LYS 68 HZ3 LYS 68 -4.373 18.121 -11.042
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