NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
145059 | 2kee | 16145 | 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 -20.487 -7.874 0.758 2 HA LYS 1 HA LYS 1 -18.258 -6.947 0.857 3 HB2 LYS 1 HB2 LYS 1 -18.330 -9.964 1.088 4 HB3 LYS 1 HB3 LYS 1 -17.040 -8.954 1.703 5 HG2 LYS 1 HG2 LYS 1 -18.654 -7.894 3.244 6 HG3 LYS 1 HG3 LYS 1 -19.902 -8.990 2.639 7 HD2 LYS 1 HD2 LYS 1 -18.624 -10.913 3.388 8 HD3 LYS 1 HD3 LYS 1 -17.307 -9.866 3.908 9 HE2 LYS 1 HE2 LYS 1 -18.786 -8.837 5.566 10 HE3 LYS 1 HE3 LYS 1 -20.106 -9.877 5.041 11 HZ1 LYS 1 HZ1 LYS 1 -19.032 -10.756 7.032 12 HZ2 LYS 1 HZ2 LYS 1 -17.549 -10.802 6.246 13 HZ3 LYS 1 HZ3 LYS 1 -18.798 -11.806 5.759 14 HA PRO 2 HA PRO 2 -16.009 -7.646 -3.015 15 HB2 PRO 2 HB2 PRO 2 -14.020 -5.893 -1.706 16 HB3 PRO 2 HB3 PRO 2 -14.851 -5.657 -3.246 17 HG2 PRO 2 HG2 PRO 2 -15.423 -4.150 -1.097 18 HG3 PRO 2 HG3 PRO 2 -16.669 -4.632 -2.259 19 HD2 PRO 2 HD2 PRO 2 -16.054 -5.769 0.439 20 HD3 PRO 2 HD3 PRO 2 -17.629 -5.436 -0.318 21 H VAL 3 H VAL 3 -14.989 -9.565 -3.029 22 HA VAL 3 HA VAL 3 -13.675 -10.500 -0.661 23 HB VAL 3 HB VAL 3 -13.340 -12.618 -1.855 24 HG11 VAL 3 HG11 VAL 3 -16.117 -11.499 -2.149 25 HG12 VAL 3 HG12 VAL 3 -15.441 -12.258 -0.707 26 HG13 VAL 3 HG13 VAL 3 -15.696 -13.209 -2.169 27 HG21 VAL 3 HG21 VAL 3 -14.599 -11.211 -4.208 28 HG22 VAL 3 HG22 VAL 3 -14.243 -12.936 -4.115 29 HG23 VAL 3 HG23 VAL 3 -12.927 -11.759 -4.101 30 H SER 4 H SER 4 -11.609 -10.940 -0.330 31 HA SER 4 HA SER 4 -9.672 -10.322 -2.442 32 HB2 SER 4 HB2 SER 4 -8.251 -9.180 -0.746 33 HB3 SER 4 HB3 SER 4 -9.781 -8.345 -1.009 34 HG SER 4 HG SER 4 -8.782 -9.557 1.226 35 H LEU 5 H LEU 5 -10.838 -12.336 -0.013 36 HA LEU 5 HA LEU 5 -10.311 -14.263 0.909 37 HB2 LEU 5 HB2 LEU 5 -9.592 -14.816 -1.477 38 HB3 LEU 5 HB3 LEU 5 -7.962 -14.415 -1.012 39 HG LEU 5 HG LEU 5 -8.345 -16.846 -1.134 40 HD11 LEU 5 HD11 LEU 5 -7.442 -17.520 1.022 41 HD12 LEU 5 HD12 LEU 5 -7.834 -15.933 1.681 42 HD13 LEU 5 HD13 LEU 5 -6.638 -16.080 0.399 43 HD21 LEU 5 HD21 LEU 5 -10.332 -16.393 1.085 44 HD22 LEU 5 HD22 LEU 5 -9.779 -17.963 0.508 45 HD23 LEU 5 HD23 LEU 5 -10.693 -16.906 -0.563 46 H SER 6 H SER 6 -7.110 -12.989 0.180 47 HA SER 6 HA SER 6 -6.323 -13.317 2.957 48 HB2 SER 6 HB2 SER 6 -4.744 -12.337 0.565 49 HB3 SER 6 HB3 SER 6 -4.096 -12.851 2.123 50 HG SER 6 HG SER 6 -4.841 -14.933 1.702 51 H TYR 7 H TYR 7 -4.874 -11.310 3.697 52 HA TYR 7 HA TYR 7 -6.573 -9.025 3.736 53 HB2 TYR 7 HB2 TYR 7 -5.108 -9.706 5.649 54 HB3 TYR 7 HB3 TYR 7 -3.701 -9.320 4.671 55 HD1 TYR 7 HD1 TYR 7 -6.695 -7.893 6.233 56 HD2 TYR 7 HD2 TYR 7 -2.882 -7.113 4.544 57 HE1 TYR 7 HE1 TYR 7 -6.829 -5.600 7.027 58 HE2 TYR 7 HE2 TYR 7 -3.002 -4.794 5.334 59 HH TYR 7 HH TYR 7 -5.375 -3.810 7.565 60 H ARG 8 H ARG 8 -3.623 -9.968 2.206 61 HA ARG 8 HA ARG 8 -2.573 -9.408 0.352 62 HB2 ARG 8 HB2 ARG 8 -5.019 -7.786 -0.322 63 HB3 ARG 8 HB3 ARG 8 -3.685 -8.094 -1.423 64 HG2 ARG 8 HG2 ARG 8 -4.183 -10.522 -1.258 65 HG3 ARG 8 HG3 ARG 8 -5.575 -10.121 -0.248 66 HD2 ARG 8 HD2 ARG 8 -6.254 -10.432 -2.568 67 HD3 ARG 8 HD3 ARG 8 -6.500 -8.761 -2.051 68 HE ARG 8 HE ARG 8 -4.013 -9.396 -3.393 69 HH11 ARG 8 HH11 ARG 8 -7.281 -7.967 -3.691 70 HH12 ARG 8 HH12 ARG 8 -6.898 -7.096 -5.083 71 HH21 ARG 8 HH21 ARG 8 -3.562 -8.173 -5.331 72 HH22 ARG 8 HH22 ARG 8 -4.783 -7.211 -6.049 73 H CYS 9 H CYS 9 -4.136 -6.240 0.653 74 HA CYS 9 HA CYS 9 -1.413 -5.143 0.988 75 HB2 CYS 9 HB2 CYS 9 -3.574 -3.725 -0.596 76 HB3 CYS 9 HB3 CYS 9 -1.863 -3.443 -0.567 77 HA PRO 10 HA PRO 10 -3.508 -2.978 4.421 78 HB2 PRO 10 HB2 PRO 10 -1.259 -1.060 4.040 79 HB3 PRO 10 HB3 PRO 10 -1.772 -1.892 5.512 80 HG2 PRO 10 HG2 PRO 10 0.454 -2.615 4.216 81 HG3 PRO 10 HG3 PRO 10 -0.592 -3.820 4.991 82 HD2 PRO 10 HD2 PRO 10 -0.310 -3.114 2.103 83 HD3 PRO 10 HD3 PRO 10 -0.569 -4.698 2.860 84 H CYS 11 H CYS 11 -1.867 -1.057 1.927 85 HA CYS 11 HA CYS 11 -4.175 0.689 1.718 86 HB2 CYS 11 HB2 CYS 11 -1.454 0.763 0.416 87 HB3 CYS 11 HB3 CYS 11 -2.737 1.925 0.098 88 H ARG 12 H ARG 12 -5.705 0.256 0.324 89 HA ARG 12 HA ARG 12 -5.155 -1.615 -1.869 90 HB2 ARG 12 HB2 ARG 12 -7.780 -0.539 -0.813 91 HB3 ARG 12 HB3 ARG 12 -7.656 -1.514 -2.256 92 HG2 ARG 12 HG2 ARG 12 -8.414 -2.894 -0.481 93 HG3 ARG 12 HG3 ARG 12 -6.763 -3.368 -0.847 94 HD2 ARG 12 HD2 ARG 12 -5.971 -2.172 1.120 95 HD3 ARG 12 HD3 ARG 12 -7.599 -1.572 1.442 96 HE ARG 12 HE ARG 12 -7.544 -4.396 1.256 97 HH11 ARG 12 HH11 ARG 12 -6.660 -1.823 3.534 98 HH12 ARG 12 HH12 ARG 12 -7.033 -2.758 4.914 99 HH21 ARG 12 HH21 ARG 12 -8.004 -5.640 3.109 100 HH22 ARG 12 HH22 ARG 12 -7.824 -4.987 4.676 101 H PHE 13 H PHE 13 -6.724 1.494 -1.320 102 HA PHE 13 HA PHE 13 -6.483 2.126 -4.161 103 HB2 PHE 13 HB2 PHE 13 -8.080 3.498 -1.980 104 HB3 PHE 13 HB3 PHE 13 -8.118 3.884 -3.694 105 HD1 PHE 13 HD1 PHE 13 -9.141 2.287 -5.280 106 HD2 PHE 13 HD2 PHE 13 -9.338 1.702 -1.077 107 HE1 PHE 13 HE1 PHE 13 -10.986 0.681 -5.596 108 HE2 PHE 13 HE2 PHE 13 -11.176 0.098 -1.378 109 HZ PHE 13 HZ PHE 13 -12.004 -0.415 -3.642 110 H PHE 14 H PHE 14 -5.539 4.111 -4.771 111 HA PHE 14 HA PHE 14 -3.948 5.423 -2.674 112 HB2 PHE 14 HB2 PHE 14 -3.297 5.196 -5.615 113 HB3 PHE 14 HB3 PHE 14 -2.337 6.034 -4.412 114 HD1 PHE 14 HD1 PHE 14 -2.003 4.246 -2.250 115 HD2 PHE 14 HD2 PHE 14 -2.278 3.365 -6.388 116 HE1 PHE 14 HE1 PHE 14 -0.723 2.185 -1.889 117 HE2 PHE 14 HE2 PHE 14 -1.004 1.325 -6.062 118 HZ PHE 14 HZ PHE 14 -0.209 0.706 -3.792 119 H GLU 15 H GLU 15 -4.004 7.616 -2.625 120 HA GLU 15 HA GLU 15 -6.149 8.906 -3.857 121 HB2 GLU 15 HB2 GLU 15 -3.841 9.926 -2.330 122 HB3 GLU 15 HB3 GLU 15 -4.935 11.045 -3.136 123 HG2 GLU 15 HG2 GLU 15 -5.720 8.947 -1.164 124 HG3 GLU 15 HG3 GLU 15 -5.513 10.670 -0.852 125 H SER 16 H SER 16 -2.672 9.027 -4.336 126 HA SER 16 HA SER 16 -1.279 9.593 -5.983 127 HB2 SER 16 HB2 SER 16 -2.550 8.086 -7.433 128 HB3 SER 16 HB3 SER 16 -3.722 9.361 -7.788 129 HG SER 16 HG SER 16 -1.402 8.805 -9.011 130 H HIS 17 H HIS 17 -4.253 11.429 -6.075 131 HA HIS 17 HA HIS 17 -3.038 13.949 -6.963 132 HB2 HIS 17 HB2 HIS 17 -5.484 13.118 -7.295 133 HB3 HIS 17 HB3 HIS 17 -5.695 13.580 -5.605 134 HD1 HIS 17 HD1 HIS 17 -5.083 16.133 -5.081 135 HD2 HIS 17 HD2 HIS 17 -5.642 15.162 -9.058 136 HE1 HIS 17 HE1 HIS 17 -5.295 18.274 -6.252 137 HE2 HIS 17 HE2 HIS 17 -6.100 17.609 -8.550 138 H VAL 18 H VAL 18 -1.423 13.226 -5.112 139 HA VAL 18 HA VAL 18 -2.078 14.925 -2.807 140 HB VAL 18 HB VAL 18 -0.329 12.444 -2.762 141 HG11 VAL 18 HG11 VAL 18 -0.300 12.768 -0.334 142 HG12 VAL 18 HG12 VAL 18 -1.220 14.257 -0.532 143 HG13 VAL 18 HG13 VAL 18 0.410 14.135 -1.194 144 HG21 VAL 18 HG21 VAL 18 -2.679 11.822 -2.960 145 HG22 VAL 18 HG22 VAL 18 -3.079 12.845 -1.585 146 HG23 VAL 18 HG23 VAL 18 -2.065 11.421 -1.364 147 H ALA 19 H ALA 19 -0.740 16.637 -2.799 148 HA ALA 19 HA ALA 19 1.787 16.482 -4.268 149 HB1 ALA 19 HB1 ALA 19 0.272 18.325 -4.842 150 HB2 ALA 19 HB2 ALA 19 1.777 18.933 -4.150 151 HB3 ALA 19 HB3 ALA 19 0.313 18.877 -3.170 152 H ARG 20 H ARG 20 3.727 17.385 -3.288 153 HA ARG 20 HA ARG 20 4.378 16.243 -0.843 154 HB2 ARG 20 HB2 ARG 20 6.035 16.855 -2.541 155 HB3 ARG 20 HB3 ARG 20 5.722 18.558 -2.250 156 HG2 ARG 20 HG2 ARG 20 7.775 17.930 -1.170 157 HG3 ARG 20 HG3 ARG 20 6.563 18.259 0.081 158 HD2 ARG 20 HD2 ARG 20 6.159 15.811 0.189 159 HD3 ARG 20 HD3 ARG 20 7.487 15.595 -0.947 160 HE ARG 20 HE ARG 20 7.797 16.801 1.726 161 HH11 ARG 20 HH11 ARG 20 9.166 14.831 -0.907 162 HH12 ARG 20 HH12 ARG 20 10.465 14.284 0.031 163 HH21 ARG 20 HH21 ARG 20 9.605 15.974 2.988 164 HH22 ARG 20 HH22 ARG 20 10.721 14.928 2.255 165 H ALA 21 H ALA 21 3.291 19.497 -1.535 166 HA ALA 21 HA ALA 21 3.933 20.558 1.049 167 HB1 ALA 21 HB1 ALA 21 2.126 21.652 -1.049 168 HB2 ALA 21 HB2 ALA 21 3.876 21.941 -0.945 169 HB3 ALA 21 HB3 ALA 21 2.788 22.537 0.326 170 H ASN 22 H ASN 22 1.367 18.643 -0.038 171 HA ASN 22 HA ASN 22 -0.444 19.664 2.042 172 HB2 ASN 22 HB2 ASN 22 -1.350 19.462 -0.273 173 HB3 ASN 22 HB3 ASN 22 -0.988 17.745 -0.260 174 HD21 ASN 22 HD21 ASN 22 -3.162 17.274 -0.681 175 HD22 ASN 22 HD22 ASN 22 -4.395 17.407 0.509 176 H VAL 23 H VAL 23 2.016 17.763 1.941 177 HA VAL 23 HA VAL 23 0.771 15.535 3.389 178 HB VAL 23 HB VAL 23 3.583 15.652 2.274 179 HG11 VAL 23 HG11 VAL 23 2.142 13.476 3.699 180 HG12 VAL 23 HG12 VAL 23 3.626 14.300 4.185 181 HG13 VAL 23 HG13 VAL 23 3.610 13.259 2.761 182 HG21 VAL 23 HG21 VAL 23 1.162 14.127 1.309 183 HG22 VAL 23 HG22 VAL 23 2.786 13.986 0.647 184 HG23 VAL 23 HG23 VAL 23 1.910 15.491 0.490 185 H LYS 24 H LYS 24 0.805 15.472 5.434 186 HA LYS 24 HA LYS 24 2.312 17.230 7.157 187 HB2 LYS 24 HB2 LYS 24 -0.151 16.499 7.350 188 HB3 LYS 24 HB3 LYS 24 0.481 14.953 7.881 189 HG2 LYS 24 HG2 LYS 24 0.107 15.985 9.875 190 HG3 LYS 24 HG3 LYS 24 1.806 16.407 9.586 191 HD2 LYS 24 HD2 LYS 24 0.984 18.542 10.009 192 HD3 LYS 24 HD3 LYS 24 0.697 18.311 8.261 193 HE2 LYS 24 HE2 LYS 24 -1.352 19.210 9.227 194 HE3 LYS 24 HE3 LYS 24 -1.543 17.541 8.677 195 HZ1 LYS 24 HZ1 LYS 24 -1.173 18.371 11.498 196 HZ2 LYS 24 HZ2 LYS 24 -1.367 16.775 10.978 197 HZ3 LYS 24 HZ3 LYS 24 -2.613 17.886 10.794 198 H HIS 25 H HIS 25 2.216 13.886 6.134 199 HA HIS 25 HA HIS 25 4.430 13.043 7.865 200 HB2 HIS 25 HB2 HIS 25 2.602 12.719 9.353 201 HB3 HIS 25 HB3 HIS 25 1.568 12.107 8.083 202 HD1 HIS 25 HD1 HIS 25 3.603 11.022 10.865 203 HD2 HIS 25 HD2 HIS 25 2.420 9.411 7.228 204 HE1 HIS 25 HE1 HIS 25 3.822 8.550 11.143 205 HE2 HIS 25 HE2 HIS 25 2.725 7.627 9.091 206 H LEU 26 H LEU 26 5.630 11.483 6.807 207 HA LEU 26 HA LEU 26 4.351 10.015 4.626 208 HB2 LEU 26 HB2 LEU 26 7.105 11.245 4.696 209 HB3 LEU 26 HB3 LEU 26 6.668 9.974 3.579 210 HG LEU 26 HG LEU 26 5.187 12.585 3.689 211 HD11 LEU 26 HD11 LEU 26 7.447 11.739 1.869 212 HD12 LEU 26 HD12 LEU 26 7.540 13.002 3.101 213 HD13 LEU 26 HD13 LEU 26 6.469 13.197 1.707 214 HD21 LEU 26 HD21 LEU 26 5.370 10.384 1.639 215 HD22 LEU 26 HD22 LEU 26 4.460 11.880 1.456 216 HD23 LEU 26 HD23 LEU 26 3.989 10.712 2.688 217 H LYS 27 H LYS 27 4.360 7.935 4.817 218 HA LYS 27 HA LYS 27 6.460 6.571 6.357 219 HB2 LYS 27 HB2 LYS 27 4.314 6.573 7.676 220 HB3 LYS 27 HB3 LYS 27 3.506 5.946 6.275 221 HG2 LYS 27 HG2 LYS 27 3.921 4.169 7.888 222 HG3 LYS 27 HG3 LYS 27 4.755 3.878 6.362 223 HD2 LYS 27 HD2 LYS 27 6.285 3.333 8.107 224 HD3 LYS 27 HD3 LYS 27 6.789 4.869 7.403 225 HE2 LYS 27 HE2 LYS 27 6.953 5.000 9.800 226 HE3 LYS 27 HE3 LYS 27 5.677 6.064 9.227 227 HZ1 LYS 27 HZ1 LYS 27 5.274 3.366 10.390 228 HZ2 LYS 27 HZ2 LYS 27 4.033 4.376 9.873 229 HZ3 LYS 27 HZ3 LYS 27 4.974 4.829 11.183 230 H ILE 28 H ILE 28 7.275 4.740 5.213 231 HA ILE 28 HA ILE 28 5.892 4.269 2.673 232 HB ILE 28 HB ILE 28 8.815 3.648 3.224 233 HG12 ILE 28 HG12 ILE 28 7.537 6.070 1.990 234 HG13 ILE 28 HG13 ILE 28 8.536 6.027 3.448 235 HG21 ILE 28 HG21 ILE 28 7.547 2.502 1.264 236 HG22 ILE 28 HG22 ILE 28 8.978 3.473 0.871 237 HG23 ILE 28 HG23 ILE 28 7.395 4.185 0.666 238 HD11 ILE 28 HD11 ILE 28 10.411 5.219 1.945 239 HD12 ILE 28 HD12 ILE 28 9.818 6.886 1.658 240 HD13 ILE 28 HD13 ILE 28 9.254 5.592 0.629 241 H LEU 29 H LEU 29 4.804 2.408 2.607 242 HA LEU 29 HA LEU 29 5.509 0.326 4.522 243 HB2 LEU 29 HB2 LEU 29 3.025 0.705 2.862 244 HB3 LEU 29 HB3 LEU 29 3.295 -0.620 3.963 245 HG LEU 29 HG LEU 29 2.993 2.289 4.716 246 HD11 LEU 29 HD11 LEU 29 0.907 1.230 4.054 247 HD12 LEU 29 HD12 LEU 29 0.935 1.533 5.792 248 HD13 LEU 29 HD13 LEU 29 1.205 -0.095 5.180 249 HD21 LEU 29 HD21 LEU 29 3.043 1.495 7.036 250 HD22 LEU 29 HD22 LEU 29 4.570 1.180 6.218 251 HD23 LEU 29 HD23 LEU 29 3.422 -0.132 6.474 252 H ASN 30 H ASN 30 6.235 -1.561 3.926 253 HA ASN 30 HA ASN 30 6.411 -2.075 1.072 254 HB2 ASN 30 HB2 ASN 30 8.366 -3.568 1.577 255 HB3 ASN 30 HB3 ASN 30 8.650 -1.884 1.972 256 HD21 ASN 30 HD21 ASN 30 8.804 -1.290 4.155 257 HD22 ASN 30 HD22 ASN 30 9.104 -2.458 5.390 258 H THR 31 H THR 31 4.843 -3.313 0.428 259 HA THR 31 HA THR 31 4.018 -5.485 2.184 260 HB THR 31 HB THR 31 2.637 -4.334 -0.186 261 HG1 THR 31 HG1 THR 31 2.859 -3.461 2.416 262 HG21 THR 31 HG21 THR 31 1.662 -6.130 2.028 263 HG22 THR 31 HG22 THR 31 1.946 -6.604 0.352 264 HG23 THR 31 HG23 THR 31 0.649 -5.472 0.741 265 HA PRO 32 HA PRO 32 6.387 -7.950 -0.827 266 HB2 PRO 32 HB2 PRO 32 5.419 -10.077 0.994 267 HB3 PRO 32 HB3 PRO 32 7.066 -9.716 0.475 268 HG2 PRO 32 HG2 PRO 32 6.270 -9.134 2.945 269 HG3 PRO 32 HG3 PRO 32 7.345 -8.045 2.050 270 HD2 PRO 32 HD2 PRO 32 4.386 -7.768 2.535 271 HD3 PRO 32 HD3 PRO 32 5.649 -6.533 2.546 272 H ASN 33 H ASN 33 3.116 -8.503 0.350 273 HA ASN 33 HA ASN 33 2.522 -10.415 -1.739 274 HB2 ASN 33 HB2 ASN 33 0.748 -9.177 0.372 275 HB3 ASN 33 HB3 ASN 33 0.193 -10.344 -0.815 276 HD21 ASN 33 HD21 ASN 33 2.698 -11.930 -0.686 277 HD22 ASN 33 HD22 ASN 33 2.606 -12.744 0.821 278 H CYS 34 H CYS 34 2.910 -7.194 -1.990 279 HA CYS 34 HA CYS 34 0.914 -7.097 -4.109 280 HB2 CYS 34 HB2 CYS 34 1.088 -4.930 -2.010 281 HB3 CYS 34 HB3 CYS 34 0.062 -4.907 -3.442 282 H ALA 35 H ALA 35 2.911 -4.552 -2.582 283 HA ALA 35 HA ALA 35 4.927 -4.272 -4.403 284 HB1 ALA 35 HB1 ALA 35 4.074 -2.357 -5.749 285 HB2 ALA 35 HB2 ALA 35 2.474 -2.596 -5.050 286 HB3 ALA 35 HB3 ALA 35 3.170 -3.835 -6.095 287 H LEU 36 H LEU 36 5.214 -1.544 -4.378 288 HA LEU 36 HA LEU 36 5.248 -1.027 -1.539 289 HB2 LEU 36 HB2 LEU 36 6.631 0.350 -3.820 290 HB3 LEU 36 HB3 LEU 36 6.536 1.072 -2.233 291 HG LEU 36 HG LEU 36 8.666 -0.030 -2.572 292 HD11 LEU 36 HD11 LEU 36 6.882 -1.446 -0.638 293 HD12 LEU 36 HD12 LEU 36 7.679 0.091 -0.335 294 HD13 LEU 36 HD13 LEU 36 8.641 -1.388 -0.524 295 HD21 LEU 36 HD21 LEU 36 6.996 -2.469 -2.781 296 HD22 LEU 36 HD22 LEU 36 8.766 -2.495 -2.745 297 HD23 LEU 36 HD23 LEU 36 7.901 -1.761 -4.123 298 H GLN 37 H GLN 37 4.636 0.783 -0.642 299 HA GLN 37 HA GLN 37 2.786 2.478 -2.051 300 HB2 GLN 37 HB2 GLN 37 0.891 1.967 -0.651 301 HB3 GLN 37 HB3 GLN 37 1.441 0.536 -1.503 302 HG2 GLN 37 HG2 GLN 37 2.709 0.060 0.727 303 HG3 GLN 37 HG3 GLN 37 1.516 1.181 1.398 304 HE21 GLN 37 HE21 GLN 37 1.133 -1.066 -1.244 305 HE22 GLN 37 HE22 GLN 37 -0.088 -2.026 -0.511 306 H ILE 38 H ILE 38 2.534 4.450 -1.017 307 HA ILE 38 HA ILE 38 4.139 4.706 1.418 308 HB ILE 38 HB ILE 38 3.794 6.815 -0.757 309 HG12 ILE 38 HG12 ILE 38 5.972 4.847 -0.149 310 HG13 ILE 38 HG13 ILE 38 5.045 4.974 -1.621 311 HG21 ILE 38 HG21 ILE 38 5.596 7.982 0.434 312 HG22 ILE 38 HG22 ILE 38 5.667 6.659 1.595 313 HG23 ILE 38 HG23 ILE 38 4.235 7.699 1.540 314 HD11 ILE 38 HD11 ILE 38 6.114 7.189 -2.022 315 HD12 ILE 38 HD12 ILE 38 7.225 5.812 -2.025 316 HD13 ILE 38 HD13 ILE 38 7.161 6.841 -0.618 317 H VAL 39 H VAL 39 3.304 6.004 3.009 318 HA VAL 39 HA VAL 39 0.452 6.687 2.672 319 HB VAL 39 HB VAL 39 1.899 6.011 5.248 320 HG11 VAL 39 HG11 VAL 39 0.063 7.537 5.628 321 HG12 VAL 39 HG12 VAL 39 -0.320 5.947 6.264 322 HG13 VAL 39 HG13 VAL 39 -1.034 6.482 4.739 323 HG21 VAL 39 HG21 VAL 39 0.621 3.938 5.250 324 HG22 VAL 39 HG22 VAL 39 1.683 4.042 3.848 325 HG23 VAL 39 HG23 VAL 39 -0.050 4.340 3.667 326 H ALA 40 H ALA 40 -0.155 8.729 3.031 327 HA ALA 40 HA ALA 40 1.768 10.526 4.280 328 HB1 ALA 40 HB1 ALA 40 1.238 12.201 2.618 329 HB2 ALA 40 HB2 ALA 40 0.210 11.010 1.782 330 HB3 ALA 40 HB3 ALA 40 1.964 10.756 1.914 331 H ARG 41 H ARG 41 0.839 12.016 5.474 332 HA ARG 41 HA ARG 41 -2.069 11.811 5.691 333 HB2 ARG 41 HB2 ARG 41 -0.653 11.385 7.739 334 HB3 ARG 41 HB3 ARG 41 -0.214 13.082 7.653 335 HG2 ARG 41 HG2 ARG 41 -2.384 13.804 8.134 336 HG3 ARG 41 HG3 ARG 41 -3.072 12.199 7.846 337 HD2 ARG 41 HD2 ARG 41 -1.812 11.308 9.570 338 HD3 ARG 41 HD3 ARG 41 -1.084 12.891 9.930 339 HE ARG 41 HE ARG 41 -3.961 12.853 10.094 340 HH11 ARG 41 HH11 ARG 41 -0.961 12.301 11.956 341 HH12 ARG 41 HH12 ARG 41 -1.750 12.343 13.460 342 HH21 ARG 41 HH21 ARG 41 -4.997 12.930 12.234 343 HH22 ARG 41 HH22 ARG 41 -4.028 12.687 13.616 344 H LEU 42 H LEU 42 -3.247 13.408 5.334 345 HA LEU 42 HA LEU 42 -2.079 15.526 3.767 346 HB2 LEU 42 HB2 LEU 42 -4.940 14.948 4.507 347 HB3 LEU 42 HB3 LEU 42 -4.456 16.222 3.387 348 HG LEU 42 HG LEU 42 -4.143 13.245 3.043 349 HD11 LEU 42 HD11 LEU 42 -6.374 14.037 2.657 350 HD12 LEU 42 HD12 LEU 42 -5.605 13.589 1.130 351 HD13 LEU 42 HD13 LEU 42 -5.760 15.291 1.581 352 HD21 LEU 42 HD21 LEU 42 -3.239 13.759 0.822 353 HD22 LEU 42 HD22 LEU 42 -2.192 14.335 2.119 354 HD23 LEU 42 HD23 LEU 42 -3.214 15.475 1.244 355 H LYS 43 H LYS 43 -1.905 17.638 4.243 356 HA LYS 43 HA LYS 43 -1.983 18.310 7.004 357 HB2 LYS 43 HB2 LYS 43 -1.451 20.114 4.649 358 HB3 LYS 43 HB3 LYS 43 -1.150 20.511 6.331 359 HG2 LYS 43 HG2 LYS 43 0.418 18.539 6.400 360 HG3 LYS 43 HG3 LYS 43 0.212 18.421 4.664 361 HD2 LYS 43 HD2 LYS 43 2.238 19.632 5.127 362 HD3 LYS 43 HD3 LYS 43 1.049 20.741 4.443 363 HE2 LYS 43 HE2 LYS 43 0.516 21.566 6.679 364 HE3 LYS 43 HE3 LYS 43 1.656 20.424 7.380 365 HZ1 LYS 43 HZ1 LYS 43 3.438 21.554 6.217 366 HZ2 LYS 43 HZ2 LYS 43 2.596 22.623 7.209 367 HZ3 LYS 43 HZ3 LYS 43 2.346 22.655 5.549 368 H ASN 44 H ASN 44 -3.953 19.135 4.223 369 HA ASN 44 HA ASN 44 -5.560 20.936 5.808 370 HB2 ASN 44 HB2 ASN 44 -5.265 21.430 3.437 371 HB3 ASN 44 HB3 ASN 44 -6.035 19.904 3.003 372 HD21 ASN 44 HD21 ASN 44 -6.526 23.119 4.231 373 HD22 ASN 44 HD22 ASN 44 -8.233 23.150 4.028 374 H ASN 45 H ASN 45 -5.940 17.704 4.518 375 HA ASN 45 HA ASN 45 -8.641 17.473 5.607 376 HB2 ASN 45 HB2 ASN 45 -6.931 15.384 4.238 377 HB3 ASN 45 HB3 ASN 45 -8.608 15.171 4.694 378 HD21 ASN 45 HD21 ASN 45 -9.192 14.733 2.582 379 HD22 ASN 45 HD22 ASN 45 -9.249 15.934 1.354 380 H ASN 46 H ASN 46 -5.423 16.713 6.448 381 HA ASN 46 HA ASN 46 -4.403 15.765 8.136 382 HB2 ASN 46 HB2 ASN 46 -7.015 16.219 9.587 383 HB3 ASN 46 HB3 ASN 46 -5.541 15.649 10.364 384 HD21 ASN 46 HD21 ASN 46 -7.161 18.363 8.929 385 HD22 ASN 46 HD22 ASN 46 -5.998 19.542 9.401 386 H ARG 47 H ARG 47 -6.171 14.042 6.287 387 HA ARG 47 HA ARG 47 -6.264 11.702 8.042 388 HB2 ARG 47 HB2 ARG 47 -7.815 10.734 6.573 389 HB3 ARG 47 HB3 ARG 47 -8.254 12.440 6.652 390 HG2 ARG 47 HG2 ARG 47 -7.318 12.877 4.543 391 HG3 ARG 47 HG3 ARG 47 -6.597 11.256 4.492 392 HD2 ARG 47 HD2 ARG 47 -8.896 10.292 4.575 393 HD3 ARG 47 HD3 ARG 47 -9.550 11.923 4.436 394 HE ARG 47 HE ARG 47 -8.119 11.840 2.222 395 HH11 ARG 47 HH11 ARG 47 -10.177 9.291 3.588 396 HH12 ARG 47 HH12 ARG 47 -10.509 8.570 2.093 397 HH21 ARG 47 HH21 ARG 47 -8.589 10.817 0.144 398 HH22 ARG 47 HH22 ARG 47 -9.595 9.458 0.092 399 H GLN 48 H GLN 48 -5.302 9.755 7.321 400 HA GLN 48 HA GLN 48 -3.036 10.207 5.595 401 HB2 GLN 48 HB2 GLN 48 -3.725 7.982 7.469 402 HB3 GLN 48 HB3 GLN 48 -2.543 7.734 6.192 403 HG2 GLN 48 HG2 GLN 48 -1.178 9.359 6.951 404 HG3 GLN 48 HG3 GLN 48 -2.329 10.007 8.083 405 HE21 GLN 48 HE21 GLN 48 -1.028 9.691 9.893 406 HE22 GLN 48 HE22 GLN 48 -0.541 8.132 10.455 407 H VAL 49 H VAL 49 -2.814 9.712 3.724 408 HA VAL 49 HA VAL 49 -4.758 7.947 2.459 409 HB VAL 49 HB VAL 49 -4.322 9.156 0.380 410 HG11 VAL 49 HG11 VAL 49 -6.330 9.647 1.561 411 HG12 VAL 49 HG12 VAL 49 -5.704 11.160 0.933 412 HG13 VAL 49 HG13 VAL 49 -5.507 10.766 2.654 413 HG21 VAL 49 HG21 VAL 49 -2.227 10.177 0.851 414 HG22 VAL 49 HG22 VAL 49 -2.950 11.220 2.095 415 HG23 VAL 49 HG23 VAL 49 -3.422 11.370 0.382 416 H CYS 50 H CYS 50 -4.009 6.631 0.866 417 HA CYS 50 HA CYS 50 -1.203 6.083 1.129 418 HB2 CYS 50 HB2 CYS 50 -3.414 4.506 -0.185 419 HB3 CYS 50 HB3 CYS 50 -1.741 3.971 -0.005 420 H ILE 51 H ILE 51 0.186 6.408 -0.358 421 HA ILE 51 HA ILE 51 -0.625 7.905 -2.706 422 HB ILE 51 HB ILE 51 1.916 7.735 -1.119 423 HG12 ILE 51 HG12 ILE 51 0.033 10.011 -1.704 424 HG13 ILE 51 HG13 ILE 51 0.272 9.201 -0.154 425 HG21 ILE 51 HG21 ILE 51 2.605 7.809 -3.383 426 HG22 ILE 51 HG22 ILE 51 2.848 9.396 -2.613 427 HG23 ILE 51 HG23 ILE 51 1.465 9.129 -3.694 428 HD11 ILE 51 HD11 ILE 51 2.303 10.841 -1.642 429 HD12 ILE 51 HD12 ILE 51 2.567 10.034 -0.100 430 HD13 ILE 51 HD13 ILE 51 1.396 11.351 -0.222 431 H ASP 52 H ASP 52 0.079 7.388 -4.704 432 HA ASP 52 HA ASP 52 0.842 4.679 -5.204 433 HB2 ASP 52 HB2 ASP 52 -0.848 5.804 -6.574 434 HB3 ASP 52 HB3 ASP 52 0.332 7.001 -7.055 435 HA PRO 53 HA PRO 53 5.192 5.723 -5.174 436 HB2 PRO 53 HB2 PRO 53 6.116 3.472 -6.378 437 HB3 PRO 53 HB3 PRO 53 5.576 3.519 -4.695 438 HG2 PRO 53 HG2 PRO 53 4.050 2.684 -7.138 439 HG3 PRO 53 HG3 PRO 53 4.189 1.844 -5.585 440 HD2 PRO 53 HD2 PRO 53 2.048 3.299 -6.149 441 HD3 PRO 53 HD3 PRO 53 2.750 3.338 -4.514 442 H LYS 54 H LYS 54 3.319 5.509 -7.995 443 HA LYS 54 HA LYS 54 5.534 5.881 -9.768 444 HB2 LYS 54 HB2 LYS 54 2.589 5.915 -10.287 445 HB3 LYS 54 HB3 LYS 54 3.814 6.176 -11.527 446 HG2 LYS 54 HG2 LYS 54 4.739 3.994 -11.147 447 HG3 LYS 54 HG3 LYS 54 3.639 3.726 -9.794 448 HD2 LYS 54 HD2 LYS 54 2.879 2.586 -11.783 449 HD3 LYS 54 HD3 LYS 54 1.766 3.873 -11.276 450 HE2 LYS 54 HE2 LYS 54 2.640 5.338 -13.007 451 HE3 LYS 54 HE3 LYS 54 3.814 4.106 -13.493 452 HZ1 LYS 54 HZ1 LYS 54 0.872 3.844 -13.633 453 HZ2 LYS 54 HZ2 LYS 54 1.979 2.701 -14.175 454 HZ3 LYS 54 HZ3 LYS 54 1.843 4.206 -14.938 455 H LEU 55 H LEU 55 3.734 7.940 -7.761 456 HA LEU 55 HA LEU 55 3.630 10.346 -9.255 457 HB2 LEU 55 HB2 LEU 55 4.067 9.831 -6.344 458 HB3 LEU 55 HB3 LEU 55 3.852 11.441 -6.960 459 HG LEU 55 HG LEU 55 1.808 9.188 -6.892 460 HD11 LEU 55 HD11 LEU 55 0.619 10.666 -5.412 461 HD12 LEU 55 HD12 LEU 55 1.811 11.931 -5.675 462 HD13 LEU 55 HD13 LEU 55 2.273 10.474 -4.805 463 HD21 LEU 55 HD21 LEU 55 1.590 10.440 -8.988 464 HD22 LEU 55 HD22 LEU 55 1.571 11.949 -8.062 465 HD23 LEU 55 HD23 LEU 55 0.261 10.780 -7.873 466 H LYS 56 H LYS 56 5.041 11.809 -9.846 467 HA LYS 56 HA LYS 56 7.731 11.056 -10.072 468 HB2 LYS 56 HB2 LYS 56 6.696 12.521 -11.702 469 HB3 LYS 56 HB3 LYS 56 6.488 13.768 -10.478 470 HG2 LYS 56 HG2 LYS 56 8.924 13.944 -10.255 471 HG3 LYS 56 HG3 LYS 56 9.115 12.717 -11.507 472 HD2 LYS 56 HD2 LYS 56 8.017 14.158 -13.114 473 HD3 LYS 56 HD3 LYS 56 7.742 15.382 -11.870 474 HE2 LYS 56 HE2 LYS 56 10.162 15.599 -11.580 475 HE3 LYS 56 HE3 LYS 56 10.415 14.393 -12.841 476 HZ1 LYS 56 HZ1 LYS 56 9.358 15.863 -14.420 477 HZ2 LYS 56 HZ2 LYS 56 10.647 16.647 -13.672 478 HZ3 LYS 56 HZ3 LYS 56 9.073 17.013 -13.212 479 H TRP 57 H TRP 57 6.171 13.403 -7.901 480 HA TRP 57 HA TRP 57 8.644 14.224 -6.775 481 HB2 TRP 57 HB2 TRP 57 7.387 15.351 -5.039 482 HB3 TRP 57 HB3 TRP 57 6.569 15.626 -6.557 483 HD1 TRP 57 HD1 TRP 57 4.095 14.443 -6.819 484 HE1 TRP 57 HE1 TRP 57 2.444 13.633 -4.940 485 HE3 TRP 57 HE3 TRP 57 7.276 14.197 -2.833 486 HZ2 TRP 57 HZ2 TRP 57 2.482 12.971 -2.336 487 HZ3 TRP 57 HZ3 TRP 57 6.410 13.448 -0.692 488 HH2 TRP 57 HH2 TRP 57 4.045 12.841 -0.417 489 H ILE 58 H ILE 58 6.626 11.544 -6.304 490 HA ILE 58 HA ILE 58 7.618 10.742 -3.795 491 HB ILE 58 HB ILE 58 6.018 9.445 -5.960 492 HG12 ILE 58 HG12 ILE 58 4.895 10.986 -4.469 493 HG13 ILE 58 HG13 ILE 58 4.289 9.343 -4.271 494 HG21 ILE 58 HG21 ILE 58 7.055 8.005 -3.557 495 HG22 ILE 58 HG22 ILE 58 7.315 7.613 -5.274 496 HG23 ILE 58 HG23 ILE 58 5.697 7.490 -4.558 497 HD11 ILE 58 HD11 ILE 58 4.516 10.472 -2.150 498 HD12 ILE 58 HD12 ILE 58 6.236 10.731 -2.437 499 HD13 ILE 58 HD13 ILE 58 5.600 9.089 -2.260 500 H GLN 59 H GLN 59 8.351 10.014 -7.154 501 HA GLN 59 HA GLN 59 10.349 8.087 -6.717 502 HB2 GLN 59 HB2 GLN 59 10.195 10.137 -8.937 503 HB3 GLN 59 HB3 GLN 59 11.182 8.688 -8.951 504 HG2 GLN 59 HG2 GLN 59 9.158 7.316 -8.891 505 HG3 GLN 59 HG3 GLN 59 8.176 8.779 -8.898 506 HE21 GLN 59 HE21 GLN 59 7.179 8.274 -10.836 507 HE22 GLN 59 HE22 GLN 59 8.012 8.321 -12.338 508 H GLU 60 H GLU 60 10.446 11.590 -6.911 509 HA GLU 60 HA GLU 60 13.193 12.008 -6.495 510 HB2 GLU 60 HB2 GLU 60 10.849 13.685 -5.577 511 HB3 GLU 60 HB3 GLU 60 12.511 14.239 -5.711 512 HG2 GLU 60 HG2 GLU 60 10.813 13.290 -8.002 513 HG3 GLU 60 HG3 GLU 60 11.082 14.973 -7.582 514 H TYR 61 H TYR 61 10.483 11.839 -4.262 515 HA TYR 61 HA TYR 61 11.788 12.127 -1.831 516 HB2 TYR 61 HB2 TYR 61 9.410 12.266 -1.869 517 HB3 TYR 61 HB3 TYR 61 9.272 10.690 -2.631 518 HD1 TYR 61 HD1 TYR 61 10.551 12.204 0.552 519 HD2 TYR 61 HD2 TYR 61 8.575 8.942 -1.335 520 HE1 TYR 61 HE1 TYR 61 10.157 11.165 2.750 521 HE2 TYR 61 HE2 TYR 61 8.187 7.889 0.829 522 HH TYR 61 HH TYR 61 9.079 7.937 3.064 523 H LEU 62 H LEU 62 11.243 9.229 -3.724 524 HA LEU 62 HA LEU 62 12.230 7.375 -1.864 525 HB2 LEU 62 HB2 LEU 62 12.152 7.223 -4.864 526 HB3 LEU 62 HB3 LEU 62 12.526 5.876 -3.808 527 HG LEU 62 HG LEU 62 9.910 7.360 -3.882 528 HD11 LEU 62 HD11 LEU 62 10.644 4.611 -4.858 529 HD12 LEU 62 HD12 LEU 62 10.263 6.019 -5.859 530 HD13 LEU 62 HD13 LEU 62 9.020 5.310 -4.822 531 HD21 LEU 62 HD21 LEU 62 9.149 5.546 -2.392 532 HD22 LEU 62 HD22 LEU 62 10.409 6.557 -1.673 533 HD23 LEU 62 HD23 LEU 62 10.818 4.967 -2.311 534 H GLU 63 H GLU 63 13.868 8.838 -4.619 535 HA GLU 63 HA GLU 63 16.332 7.633 -3.972 536 HB2 GLU 63 HB2 GLU 63 17.395 9.295 -5.530 537 HB3 GLU 63 HB3 GLU 63 16.105 8.339 -6.227 538 HG2 GLU 63 HG2 GLU 63 14.578 10.235 -5.962 539 HG3 GLU 63 HG3 GLU 63 15.901 11.192 -5.289 540 H LYS 64 H LYS 64 14.881 10.525 -2.779 541 HA LYS 64 HA LYS 64 17.306 11.429 -1.528 542 HB2 LYS 64 HB2 LYS 64 14.445 12.202 -0.949 543 HB3 LYS 64 HB3 LYS 64 15.862 13.001 -0.292 544 HG2 LYS 64 HG2 LYS 64 15.063 12.884 -3.192 545 HG3 LYS 64 HG3 LYS 64 14.911 14.267 -2.118 546 HD2 LYS 64 HD2 LYS 64 17.372 14.314 -1.869 547 HD3 LYS 64 HD3 LYS 64 17.483 12.953 -2.986 548 HE2 LYS 64 HE2 LYS 64 16.425 14.271 -4.722 549 HE3 LYS 64 HE3 LYS 64 16.278 15.636 -3.618 550 HZ1 LYS 64 HZ1 LYS 64 18.716 15.717 -3.494 551 HZ2 LYS 64 HZ2 LYS 64 18.169 15.879 -5.077 552 HZ3 LYS 64 HZ3 LYS 64 18.815 14.420 -4.561 553 H ALA 65 H ALA 65 14.354 9.796 -0.359 554 HA ALA 65 HA ALA 65 15.284 9.741 2.325 555 HB1 ALA 65 HB1 ALA 65 12.901 9.820 1.762 556 HB2 ALA 65 HB2 ALA 65 13.289 8.463 2.818 557 HB3 ALA 65 HB3 ALA 65 13.018 8.192 1.096 558 H LEU 66 H LEU 66 15.272 7.315 -0.274 559 HA LEU 66 HA LEU 66 16.198 5.332 1.554 560 HB2 LEU 66 HB2 LEU 66 15.685 5.282 -1.379 561 HB3 LEU 66 HB3 LEU 66 16.463 3.948 -0.556 562 HG LEU 66 HG LEU 66 14.205 3.455 -0.849 563 HD11 LEU 66 HD11 LEU 66 13.438 3.014 1.439 564 HD12 LEU 66 HD12 LEU 66 14.668 4.110 2.048 565 HD13 LEU 66 HD13 LEU 66 15.144 2.634 1.202 566 HD21 LEU 66 HD21 LEU 66 13.486 5.994 0.608 567 HD22 LEU 66 HD22 LEU 66 12.333 4.740 0.151 568 HD23 LEU 66 HD23 LEU 66 13.197 5.636 -1.095 569 H ASN 67 H ASN 67 17.738 7.543 -0.654 570 HA ASN 67 HA ASN 67 20.192 5.991 -0.452 571 HB2 ASN 67 HB2 ASN 67 19.696 6.870 -2.672 572 HB3 ASN 67 HB3 ASN 67 19.650 8.510 -2.037 573 HD21 ASN 67 HD21 ASN 67 21.594 9.585 -1.657 574 HD22 ASN 67 HD22 ASN 67 23.113 8.946 -2.144 575 H LYS 68 H LYS 68 18.917 9.074 0.717 576 HA LYS 68 HA LYS 68 21.474 9.510 2.077 577 HB2 LYS 68 HB2 LYS 68 19.144 11.423 1.664 578 HB3 LYS 68 HB3 LYS 68 20.680 11.782 2.453 579 HG2 LYS 68 HG2 LYS 68 20.432 10.971 -0.425 580 HG3 LYS 68 HG3 LYS 68 20.490 12.643 0.135 581 HD2 LYS 68 HD2 LYS 68 22.568 10.593 0.762 582 HD3 LYS 68 HD3 LYS 68 22.705 11.696 -0.626 583 HE2 LYS 68 HE2 LYS 68 22.630 13.589 0.977 584 HE3 LYS 68 HE3 LYS 68 22.550 12.441 2.310 585 HZ1 LYS 68 HZ1 LYS 68 24.802 13.252 1.949 586 HZ2 LYS 68 HZ2 LYS 68 24.791 12.657 0.377 587 HZ3 LYS 68 HZ3 LYS 68 24.715 11.595 1.670 Start of MODEL 2 1 H LYS 1 H LYS 1 -17.991 -1.156 0.758 2 HA LYS 1 HA LYS 1 -18.753 -2.731 3.123 3 HB2 LYS 1 HB2 LYS 1 -19.478 -3.802 1.038 4 HB3 LYS 1 HB3 LYS 1 -17.866 -3.606 0.370 5 HG2 LYS 1 HG2 LYS 1 -16.959 -5.127 2.050 6 HG3 LYS 1 HG3 LYS 1 -18.563 -5.308 2.755 7 HD2 LYS 1 HD2 LYS 1 -17.834 -6.054 -0.082 8 HD3 LYS 1 HD3 LYS 1 -17.929 -7.195 1.259 9 HE2 LYS 1 HE2 LYS 1 -20.298 -6.667 1.544 10 HE3 LYS 1 HE3 LYS 1 -20.200 -5.485 0.246 11 HZ1 LYS 1 HZ1 LYS 1 -21.126 -7.598 -0.487 12 HZ2 LYS 1 HZ2 LYS 1 -19.726 -8.398 -0.058 13 HZ3 LYS 1 HZ3 LYS 1 -19.682 -7.257 -1.296 14 HA PRO 2 HA PRO 2 -14.411 -2.009 3.922 15 HB2 PRO 2 HB2 PRO 2 -14.316 -3.444 6.263 16 HB3 PRO 2 HB3 PRO 2 -14.892 -1.775 6.182 17 HG2 PRO 2 HG2 PRO 2 -16.433 -4.309 6.387 18 HG3 PRO 2 HG3 PRO 2 -16.796 -2.715 7.060 19 HD2 PRO 2 HD2 PRO 2 -17.979 -3.781 4.810 20 HD3 PRO 2 HD3 PRO 2 -17.890 -2.047 5.171 21 H VAL 3 H VAL 3 -13.250 -3.189 2.498 22 HA VAL 3 HA VAL 3 -13.685 -6.028 2.387 23 HB VAL 3 HB VAL 3 -12.230 -5.994 0.329 24 HG11 VAL 3 HG11 VAL 3 -13.906 -4.885 -1.081 25 HG12 VAL 3 HG12 VAL 3 -14.602 -4.127 0.352 26 HG13 VAL 3 HG13 VAL 3 -14.655 -5.878 0.171 27 HG21 VAL 3 HG21 VAL 3 -12.357 -2.990 0.714 28 HG22 VAL 3 HG22 VAL 3 -11.727 -3.813 -0.712 29 HG23 VAL 3 HG23 VAL 3 -10.904 -3.981 0.836 30 H SER 4 H SER 4 -12.736 -7.099 3.900 31 HA SER 4 HA SER 4 -9.933 -6.607 4.485 32 HB2 SER 4 HB2 SER 4 -11.547 -7.033 6.353 33 HB3 SER 4 HB3 SER 4 -11.836 -8.644 5.698 34 HG SER 4 HG SER 4 -9.949 -9.295 6.383 35 H LEU 5 H LEU 5 -12.076 -8.860 2.933 36 HA LEU 5 HA LEU 5 -9.911 -10.656 2.215 37 HB2 LEU 5 HB2 LEU 5 -12.830 -10.642 1.424 38 HB3 LEU 5 HB3 LEU 5 -11.676 -11.884 0.984 39 HG LEU 5 HG LEU 5 -12.594 -11.257 3.797 40 HD11 LEU 5 HD11 LEU 5 -14.325 -12.317 2.462 41 HD12 LEU 5 HD12 LEU 5 -13.700 -13.427 3.678 42 HD13 LEU 5 HD13 LEU 5 -13.201 -13.592 1.995 43 HD21 LEU 5 HD21 LEU 5 -11.370 -13.287 4.406 44 HD22 LEU 5 HD22 LEU 5 -10.291 -12.056 3.754 45 HD23 LEU 5 HD23 LEU 5 -10.776 -13.424 2.754 46 H SER 6 H SER 6 -9.206 -10.961 0.079 47 HA SER 6 HA SER 6 -8.528 -10.352 -1.962 48 HB2 SER 6 HB2 SER 6 -11.140 -8.812 -2.044 49 HB3 SER 6 HB3 SER 6 -10.104 -9.105 -3.441 50 HG SER 6 HG SER 6 -10.928 -10.944 -3.626 51 H TYR 7 H TYR 7 -8.100 -8.662 0.494 52 HA TYR 7 HA TYR 7 -7.542 -6.041 -0.625 53 HB2 TYR 7 HB2 TYR 7 -8.333 -6.483 1.781 54 HB3 TYR 7 HB3 TYR 7 -6.733 -7.141 2.089 55 HD1 TYR 7 HD1 TYR 7 -8.564 -4.091 1.120 56 HD2 TYR 7 HD2 TYR 7 -4.925 -5.683 2.615 57 HE1 TYR 7 HE1 TYR 7 -7.815 -1.830 1.668 58 HE2 TYR 7 HE2 TYR 7 -4.149 -3.415 3.168 59 HH TYR 7 HH TYR 7 -6.301 -0.787 3.175 60 H ARG 8 H ARG 8 -5.837 -8.801 0.726 61 HA ARG 8 HA ARG 8 -3.981 -9.929 0.183 62 HB2 ARG 8 HB2 ARG 8 -4.730 -9.710 -2.137 63 HB3 ARG 8 HB3 ARG 8 -3.890 -8.177 -2.269 64 HG2 ARG 8 HG2 ARG 8 -1.760 -9.320 -1.900 65 HG3 ARG 8 HG3 ARG 8 -2.610 -10.863 -1.822 66 HD2 ARG 8 HD2 ARG 8 -3.452 -10.452 -4.124 67 HD3 ARG 8 HD3 ARG 8 -2.488 -8.978 -4.170 68 HE ARG 8 HE ARG 8 -1.099 -11.454 -3.591 69 HH11 ARG 8 HH11 ARG 8 -1.902 -8.976 -6.002 70 HH12 ARG 8 HH12 ARG 8 -0.688 -9.424 -7.089 71 HH21 ARG 8 HH21 ARG 8 0.586 -12.095 -5.102 72 HH22 ARG 8 HH22 ARG 8 0.747 -11.254 -6.571 73 H CYS 9 H CYS 9 -3.120 -6.721 -0.971 74 HA CYS 9 HA CYS 9 -0.463 -6.907 0.213 75 HB2 CYS 9 HB2 CYS 9 -1.690 -4.571 -1.308 76 HB3 CYS 9 HB3 CYS 9 -0.018 -5.006 -1.138 77 HA PRO 10 HA PRO 10 -1.430 -4.350 3.810 78 HB2 PRO 10 HB2 PRO 10 0.350 -2.313 3.818 79 HB3 PRO 10 HB3 PRO 10 0.836 -3.978 4.166 80 HG2 PRO 10 HG2 PRO 10 0.847 -2.535 1.559 81 HG3 PRO 10 HG3 PRO 10 2.241 -3.353 2.333 82 HD2 PRO 10 HD2 PRO 10 0.934 -4.581 0.446 83 HD3 PRO 10 HD3 PRO 10 1.278 -5.483 1.937 84 H CYS 11 H CYS 11 -1.583 -3.025 0.691 85 HA CYS 11 HA CYS 11 -3.875 -1.531 1.392 86 HB2 CYS 11 HB2 CYS 11 -1.976 0.131 1.810 87 HB3 CYS 11 HB3 CYS 11 -1.624 0.015 0.083 88 H ARG 12 H ARG 12 -5.180 -1.328 -0.398 89 HA ARG 12 HA ARG 12 -4.161 -2.719 -2.761 90 HB2 ARG 12 HB2 ARG 12 -6.023 -3.856 -1.720 91 HB3 ARG 12 HB3 ARG 12 -6.983 -2.388 -1.742 92 HG2 ARG 12 HG2 ARG 12 -7.051 -2.444 -4.168 93 HG3 ARG 12 HG3 ARG 12 -6.042 -3.891 -4.181 94 HD2 ARG 12 HD2 ARG 12 -7.767 -5.123 -2.996 95 HD3 ARG 12 HD3 ARG 12 -8.752 -3.665 -2.883 96 HE ARG 12 HE ARG 12 -8.221 -4.060 -5.557 97 HH11 ARG 12 HH11 ARG 12 -9.845 -5.880 -3.011 98 HH12 ARG 12 HH12 ARG 12 -11.022 -6.573 -4.019 99 HH21 ARG 12 HH21 ARG 12 -9.817 -5.026 -6.988 100 HH22 ARG 12 HH22 ARG 12 -10.985 -6.093 -6.358 101 H PHE 13 H PHE 13 -6.299 -0.002 -1.853 102 HA PHE 13 HA PHE 13 -6.091 0.985 -4.593 103 HB2 PHE 13 HB2 PHE 13 -7.854 1.932 -2.338 104 HB3 PHE 13 HB3 PHE 13 -7.901 2.509 -3.988 105 HD1 PHE 13 HD1 PHE 13 -8.669 1.007 -5.806 106 HD2 PHE 13 HD2 PHE 13 -8.971 -0.074 -1.705 107 HE1 PHE 13 HE1 PHE 13 -10.303 -0.736 -6.390 108 HE2 PHE 13 HE2 PHE 13 -10.609 -1.818 -2.279 109 HZ PHE 13 HZ PHE 13 -11.277 -2.149 -4.627 110 H PHE 14 H PHE 14 -5.028 2.783 -5.097 111 HA PHE 14 HA PHE 14 -3.718 4.278 -2.925 112 HB2 PHE 14 HB2 PHE 14 -3.034 4.306 -5.875 113 HB3 PHE 14 HB3 PHE 14 -2.128 5.064 -4.583 114 HD1 PHE 14 HD1 PHE 14 -1.931 2.831 -2.586 115 HD2 PHE 14 HD2 PHE 14 -1.627 2.824 -6.845 116 HE1 PHE 14 HE1 PHE 14 -0.537 0.845 -2.487 117 HE2 PHE 14 HE2 PHE 14 -0.232 0.844 -6.745 118 HZ PHE 14 HZ PHE 14 0.330 -0.173 -4.558 119 H GLU 15 H GLU 15 -3.904 6.557 -2.904 120 HA GLU 15 HA GLU 15 -6.302 7.608 -4.009 121 HB2 GLU 15 HB2 GLU 15 -4.972 8.110 -1.852 122 HB3 GLU 15 HB3 GLU 15 -3.991 9.145 -2.871 123 HG2 GLU 15 HG2 GLU 15 -6.905 9.389 -2.225 124 HG3 GLU 15 HG3 GLU 15 -5.569 10.405 -1.705 125 H SER 16 H SER 16 -2.829 7.982 -4.460 126 HA SER 16 HA SER 16 -1.470 8.405 -6.187 127 HB2 SER 16 HB2 SER 16 -2.796 6.829 -7.469 128 HB3 SER 16 HB3 SER 16 -3.951 8.094 -7.891 129 HG SER 16 HG SER 16 -2.343 7.543 -9.485 130 H HIS 17 H HIS 17 -4.277 10.466 -5.941 131 HA HIS 17 HA HIS 17 -2.989 12.565 -7.497 132 HB2 HIS 17 HB2 HIS 17 -5.689 12.424 -6.152 133 HB3 HIS 17 HB3 HIS 17 -5.102 13.817 -7.063 134 HD1 HIS 17 HD1 HIS 17 -4.809 13.508 -9.630 135 HD2 HIS 17 HD2 HIS 17 -6.570 10.282 -7.698 136 HE1 HIS 17 HE1 HIS 17 -5.715 12.088 -11.432 137 HE2 HIS 17 HE2 HIS 17 -6.954 10.237 -10.263 138 H VAL 18 H VAL 18 -1.776 11.729 -5.165 139 HA VAL 18 HA VAL 18 -2.296 13.689 -3.077 140 HB VAL 18 HB VAL 18 -0.371 11.354 -3.137 141 HG11 VAL 18 HG11 VAL 18 -0.305 11.614 -0.705 142 HG12 VAL 18 HG12 VAL 18 -1.310 13.056 -0.845 143 HG13 VAL 18 HG13 VAL 18 0.304 13.042 -1.551 144 HG21 VAL 18 HG21 VAL 18 -2.660 10.587 -3.315 145 HG22 VAL 18 HG22 VAL 18 -3.131 11.539 -1.914 146 HG23 VAL 18 HG23 VAL 18 -2.013 10.187 -1.728 147 H ALA 19 H ALA 19 -0.924 15.315 -2.638 148 HA ALA 19 HA ALA 19 1.544 15.529 -4.207 149 HB1 ALA 19 HB1 ALA 19 -0.160 17.173 -4.877 150 HB2 ALA 19 HB2 ALA 19 1.239 17.952 -4.140 151 HB3 ALA 19 HB3 ALA 19 -0.245 17.741 -3.212 152 H ARG 20 H ARG 20 3.294 16.677 -3.118 153 HA ARG 20 HA ARG 20 3.893 15.508 -0.692 154 HB2 ARG 20 HB2 ARG 20 5.629 16.217 -2.203 155 HB3 ARG 20 HB3 ARG 20 5.186 17.903 -2.002 156 HG2 ARG 20 HG2 ARG 20 7.221 17.295 -0.758 157 HG3 ARG 20 HG3 ARG 20 5.934 17.858 0.316 158 HD2 ARG 20 HD2 ARG 20 5.358 15.501 0.763 159 HD3 ARG 20 HD3 ARG 20 6.703 15.012 -0.257 160 HE ARG 20 HE ARG 20 8.192 16.046 1.347 161 HH11 ARG 20 HH11 ARG 20 4.860 15.478 2.470 162 HH12 ARG 20 HH12 ARG 20 5.289 15.286 4.100 163 HH21 ARG 20 HH21 ARG 20 8.769 15.812 3.635 164 HH22 ARG 20 HH22 ARG 20 7.561 15.510 4.783 165 H ALA 21 H ALA 21 2.757 18.819 -1.218 166 HA ALA 21 HA ALA 21 3.162 19.535 1.521 167 HB1 ALA 21 HB1 ALA 21 1.590 20.988 -0.561 168 HB2 ALA 21 HB2 ALA 21 3.328 21.152 -0.288 169 HB3 ALA 21 HB3 ALA 21 2.176 21.631 0.976 170 H ASN 22 H ASN 22 0.735 17.771 0.032 171 HA ASN 22 HA ASN 22 -1.226 18.613 2.037 172 HB2 ASN 22 HB2 ASN 22 -2.007 18.446 -0.351 173 HB3 ASN 22 HB3 ASN 22 -1.623 16.733 -0.329 174 HD21 ASN 22 HD21 ASN 22 -3.801 16.196 -0.808 175 HD22 ASN 22 HD22 ASN 22 -5.053 16.319 0.360 176 H VAL 23 H VAL 23 1.299 16.798 2.060 177 HA VAL 23 HA VAL 23 0.021 14.514 3.407 178 HB VAL 23 HB VAL 23 2.862 14.695 2.355 179 HG11 VAL 23 HG11 VAL 23 1.419 12.489 3.754 180 HG12 VAL 23 HG12 VAL 23 2.823 13.377 4.324 181 HG13 VAL 23 HG13 VAL 23 2.954 12.316 2.911 182 HG21 VAL 23 HG21 VAL 23 0.491 13.097 1.402 183 HG22 VAL 23 HG22 VAL 23 2.125 12.997 0.751 184 HG23 VAL 23 HG23 VAL 23 1.201 14.480 0.575 185 H LYS 24 H LYS 24 0.176 14.319 5.518 186 HA LYS 24 HA LYS 24 2.062 16.038 7.032 187 HB2 LYS 24 HB2 LYS 24 0.612 15.786 8.847 188 HB3 LYS 24 HB3 LYS 24 -0.300 16.384 7.456 189 HG2 LYS 24 HG2 LYS 24 -1.155 14.081 7.147 190 HG3 LYS 24 HG3 LYS 24 -0.331 13.622 8.642 191 HD2 LYS 24 HD2 LYS 24 -2.529 15.648 8.304 192 HD3 LYS 24 HD3 LYS 24 -2.629 14.106 9.160 193 HE2 LYS 24 HE2 LYS 24 -0.823 14.979 10.706 194 HE3 LYS 24 HE3 LYS 24 -0.980 16.504 9.895 195 HZ1 LYS 24 HZ1 LYS 24 -2.314 16.540 11.891 196 HZ2 LYS 24 HZ2 LYS 24 -3.231 15.224 11.355 197 HZ3 LYS 24 HZ3 LYS 24 -3.270 16.685 10.521 198 H HIS 25 H HIS 25 1.328 12.916 6.238 199 HA HIS 25 HA HIS 25 3.293 11.843 8.166 200 HB2 HIS 25 HB2 HIS 25 1.142 11.443 9.225 201 HB3 HIS 25 HB3 HIS 25 0.505 10.777 7.729 202 HD1 HIS 25 HD1 HIS 25 2.292 9.858 10.804 203 HD2 HIS 25 HD2 HIS 25 1.504 8.166 7.097 204 HE1 HIS 25 HE1 HIS 25 2.732 7.418 11.091 205 HE2 HIS 25 HE2 HIS 25 1.849 6.404 8.981 206 H LEU 26 H LEU 26 4.719 10.568 7.160 207 HA LEU 26 HA LEU 26 3.863 9.116 4.771 208 HB2 LEU 26 HB2 LEU 26 6.427 10.634 5.214 209 HB3 LEU 26 HB3 LEU 26 6.276 9.378 4.008 210 HG LEU 26 HG LEU 26 4.477 11.784 4.030 211 HD11 LEU 26 HD11 LEU 26 7.026 11.318 2.492 212 HD12 LEU 26 HD12 LEU 26 6.808 12.511 3.782 213 HD13 LEU 26 HD13 LEU 26 5.904 12.664 2.273 214 HD21 LEU 26 HD21 LEU 26 5.208 9.753 1.931 215 HD22 LEU 26 HD22 LEU 26 4.139 11.127 1.698 216 HD23 LEU 26 HD23 LEU 26 3.675 9.827 2.802 217 H LYS 27 H LYS 27 3.883 7.071 5.131 218 HA LYS 27 HA LYS 27 5.944 5.843 6.839 219 HB2 LYS 27 HB2 LYS 27 3.613 5.563 7.714 220 HB3 LYS 27 HB3 LYS 27 3.141 4.933 6.163 221 HG2 LYS 27 HG2 LYS 27 3.412 3.089 7.679 222 HG3 LYS 27 HG3 LYS 27 4.675 3.024 6.450 223 HD2 LYS 27 HD2 LYS 27 5.718 2.532 8.528 224 HD3 LYS 27 HD3 LYS 27 6.162 4.183 8.088 225 HE2 LYS 27 HE2 LYS 27 5.592 4.041 10.467 226 HE3 LYS 27 HE3 LYS 27 4.451 5.066 9.602 227 HZ1 LYS 27 HZ1 LYS 27 3.995 2.231 10.374 228 HZ2 LYS 27 HZ2 LYS 27 2.889 3.172 9.550 229 HZ3 LYS 27 HZ3 LYS 27 3.314 3.570 11.129 230 H ILE 28 H ILE 28 7.349 4.659 5.589 231 HA ILE 28 HA ILE 28 6.355 3.919 2.943 232 HB ILE 28 HB ILE 28 9.252 3.910 3.858 233 HG12 ILE 28 HG12 ILE 28 7.611 5.972 2.442 234 HG13 ILE 28 HG13 ILE 28 8.494 6.175 3.961 235 HG21 ILE 28 HG21 ILE 28 8.498 2.519 1.846 236 HG22 ILE 28 HG22 ILE 28 9.744 3.775 1.525 237 HG23 ILE 28 HG23 ILE 28 8.100 4.152 1.163 238 HD11 ILE 28 HD11 ILE 28 10.597 5.769 2.605 239 HD12 ILE 28 HD12 ILE 28 9.684 7.251 2.264 240 HD13 ILE 28 HD13 ILE 28 9.499 5.854 1.198 241 H LEU 29 H LEU 29 5.467 1.913 2.889 242 HA LEU 29 HA LEU 29 6.674 -0.142 4.550 243 HB2 LEU 29 HB2 LEU 29 4.301 0.756 4.939 244 HB3 LEU 29 HB3 LEU 29 3.887 0.017 3.415 245 HG LEU 29 HG LEU 29 4.912 -1.405 5.817 246 HD11 LEU 29 HD11 LEU 29 2.089 -1.138 4.753 247 HD12 LEU 29 HD12 LEU 29 2.713 -0.470 6.264 248 HD13 LEU 29 HD13 LEU 29 2.549 -2.214 6.071 249 HD21 LEU 29 HD21 LEU 29 4.057 -3.475 4.688 250 HD22 LEU 29 HD22 LEU 29 5.379 -2.682 3.834 251 HD23 LEU 29 HD23 LEU 29 3.726 -2.482 3.264 252 H ASN 30 H ASN 30 7.799 -1.583 3.349 253 HA ASN 30 HA ASN 30 7.430 -1.702 0.484 254 HB2 ASN 30 HB2 ASN 30 9.415 -3.170 0.477 255 HB3 ASN 30 HB3 ASN 30 9.733 -1.660 1.313 256 HD21 ASN 30 HD21 ASN 30 11.021 -4.293 1.464 257 HD22 ASN 30 HD22 ASN 30 10.987 -4.738 3.133 258 H THR 31 H THR 31 6.839 -3.576 -0.686 259 HA THR 31 HA THR 31 5.923 -5.810 0.942 260 HB THR 31 HB THR 31 4.224 -4.612 -1.274 261 HG1 THR 31 HG1 THR 31 4.533 -4.003 1.371 262 HG21 THR 31 HG21 THR 31 3.665 -6.715 0.828 263 HG22 THR 31 HG22 THR 31 3.922 -7.027 -0.888 264 HG23 THR 31 HG23 THR 31 2.505 -6.117 -0.355 265 HA PRO 32 HA PRO 32 8.525 -8.186 -1.792 266 HB2 PRO 32 HB2 PRO 32 6.275 -10.080 -1.259 267 HB3 PRO 32 HB3 PRO 32 8.004 -10.417 -1.279 268 HG2 PRO 32 HG2 PRO 32 6.808 -10.087 1.036 269 HG3 PRO 32 HG3 PRO 32 8.361 -9.282 0.750 270 HD2 PRO 32 HD2 PRO 32 5.619 -8.112 0.828 271 HD3 PRO 32 HD3 PRO 32 7.173 -7.405 1.315 272 H ASN 33 H ASN 33 5.016 -8.694 -2.375 273 HA ASN 33 HA ASN 33 5.665 -8.764 -5.235 274 HB2 ASN 33 HB2 ASN 33 3.783 -10.383 -5.504 275 HB3 ASN 33 HB3 ASN 33 5.180 -10.980 -4.621 276 HD21 ASN 33 HD21 ASN 33 4.042 -12.540 -3.617 277 HD22 ASN 33 HD22 ASN 33 2.900 -12.229 -2.366 278 H CYS 34 H CYS 34 4.548 -6.527 -3.506 279 HA CYS 34 HA CYS 34 2.244 -5.983 -5.260 280 HB2 CYS 34 HB2 CYS 34 2.375 -5.403 -2.313 281 HB3 CYS 34 HB3 CYS 34 1.139 -4.787 -3.389 282 H ALA 35 H ALA 35 5.108 -5.143 -5.228 283 HA ALA 35 HA ALA 35 6.371 -3.319 -5.588 284 HB1 ALA 35 HB1 ALA 35 5.299 -1.265 -6.443 285 HB2 ALA 35 HB2 ALA 35 3.730 -1.865 -5.897 286 HB3 ALA 35 HB3 ALA 35 4.585 -2.689 -7.203 287 H LEU 36 H LEU 36 6.022 -0.627 -4.785 288 HA LEU 36 HA LEU 36 6.447 -1.071 -1.942 289 HB2 LEU 36 HB2 LEU 36 7.990 0.147 -3.707 290 HB3 LEU 36 HB3 LEU 36 6.928 1.501 -3.389 291 HG LEU 36 HG LEU 36 8.855 1.798 -2.076 292 HD11 LEU 36 HD11 LEU 36 6.725 0.781 -0.271 293 HD12 LEU 36 HD12 LEU 36 6.900 2.416 -0.912 294 HD13 LEU 36 HD13 LEU 36 8.115 1.769 0.183 295 HD21 LEU 36 HD21 LEU 36 8.526 -1.024 -1.094 296 HD22 LEU 36 HD22 LEU 36 9.709 0.129 -0.484 297 HD23 LEU 36 HD23 LEU 36 9.787 -0.420 -2.156 298 H GLN 37 H GLN 37 5.065 -0.215 -0.441 299 HA GLN 37 HA GLN 37 2.843 1.441 -1.390 300 HB2 GLN 37 HB2 GLN 37 2.931 -0.711 0.674 301 HB3 GLN 37 HB3 GLN 37 1.903 0.661 1.006 302 HG2 GLN 37 HG2 GLN 37 0.594 -1.089 0.020 303 HG3 GLN 37 HG3 GLN 37 0.709 0.262 -1.084 304 HE21 GLN 37 HE21 GLN 37 3.182 -2.213 -0.592 305 HE22 GLN 37 HE22 GLN 37 3.037 -2.826 -2.199 306 H ILE 38 H ILE 38 3.437 3.479 -1.073 307 HA ILE 38 HA ILE 38 4.569 4.137 1.528 308 HB ILE 38 HB ILE 38 4.222 5.963 -0.892 309 HG12 ILE 38 HG12 ILE 38 6.570 4.426 0.174 310 HG13 ILE 38 HG13 ILE 38 5.765 4.156 -1.363 311 HG21 ILE 38 HG21 ILE 38 5.742 7.458 0.336 312 HG22 ILE 38 HG22 ILE 38 5.835 6.281 1.638 313 HG23 ILE 38 HG23 ILE 38 4.311 7.123 1.326 314 HD11 ILE 38 HD11 ILE 38 6.530 6.415 -2.063 315 HD12 ILE 38 HD12 ILE 38 7.813 5.236 -1.769 316 HD13 ILE 38 HD13 ILE 38 7.483 6.483 -0.560 317 H VAL 39 H VAL 39 3.369 4.987 3.010 318 HA VAL 39 HA VAL 39 0.566 5.547 2.295 319 HB VAL 39 HB VAL 39 1.704 4.614 4.947 320 HG11 VAL 39 HG11 VAL 39 -0.212 6.063 5.315 321 HG12 VAL 39 HG12 VAL 39 -0.614 4.390 5.693 322 HG13 VAL 39 HG13 VAL 39 -1.174 5.114 4.181 323 HG21 VAL 39 HG21 VAL 39 0.467 2.547 4.488 324 HG22 VAL 39 HG22 VAL 39 1.693 2.873 3.261 325 HG23 VAL 39 HG23 VAL 39 -0.007 3.188 2.915 326 H ALA 40 H ALA 40 -0.260 7.479 2.631 327 HA ALA 40 HA ALA 40 1.292 9.396 4.226 328 HB1 ALA 40 HB1 ALA 40 0.795 11.093 2.581 329 HB2 ALA 40 HB2 ALA 40 -0.072 9.886 1.621 330 HB3 ALA 40 HB3 ALA 40 1.683 9.749 1.888 331 H ARG 41 H ARG 41 0.095 10.900 5.301 332 HA ARG 41 HA ARG 41 -2.772 10.543 5.052 333 HB2 ARG 41 HB2 ARG 41 -1.795 9.921 7.255 334 HB3 ARG 41 HB3 ARG 41 -1.333 11.609 7.446 335 HG2 ARG 41 HG2 ARG 41 -3.587 12.315 7.408 336 HG3 ARG 41 HG3 ARG 41 -4.147 10.687 7.017 337 HD2 ARG 41 HD2 ARG 41 -3.163 9.882 8.981 338 HD3 ARG 41 HD3 ARG 41 -2.680 11.547 9.430 339 HE ARG 41 HE ARG 41 -5.509 10.941 8.942 340 HH11 ARG 41 HH11 ARG 41 -3.010 11.836 11.317 341 HH12 ARG 41 HH12 ARG 41 -4.145 12.139 12.544 342 HH21 ARG 41 HH21 ARG 41 -7.001 11.374 10.616 343 HH22 ARG 41 HH22 ARG 41 -6.445 11.903 12.136 344 H LEU 42 H LEU 42 -3.985 12.218 4.696 345 HA LEU 42 HA LEU 42 -2.592 14.441 3.480 346 HB2 LEU 42 HB2 LEU 42 -5.496 13.704 3.512 347 HB3 LEU 42 HB3 LEU 42 -4.831 14.991 2.524 348 HG LEU 42 HG LEU 42 -4.272 12.037 2.306 349 HD11 LEU 42 HD11 LEU 42 -6.382 12.679 1.395 350 HD12 LEU 42 HD12 LEU 42 -5.255 12.254 0.102 351 HD13 LEU 42 HD13 LEU 42 -5.620 13.949 0.440 352 HD21 LEU 42 HD21 LEU 42 -2.919 12.595 0.373 353 HD22 LEU 42 HD22 LEU 42 -2.252 13.238 1.881 354 HD23 LEU 42 HD23 LEU 42 -3.104 14.316 0.766 355 H LYS 43 H LYS 43 -2.840 16.546 3.891 356 HA LYS 43 HA LYS 43 -3.378 17.263 6.661 357 HB2 LYS 43 HB2 LYS 43 -2.313 18.831 4.329 358 HB3 LYS 43 HB3 LYS 43 -2.520 19.484 5.949 359 HG2 LYS 43 HG2 LYS 43 -0.948 18.022 6.846 360 HG3 LYS 43 HG3 LYS 43 -0.825 17.066 5.355 361 HD2 LYS 43 HD2 LYS 43 1.106 18.528 5.634 362 HD3 LYS 43 HD3 LYS 43 0.146 19.043 4.249 363 HE2 LYS 43 HE2 LYS 43 -0.886 20.769 5.613 364 HE3 LYS 43 HE3 LYS 43 0.070 20.261 7.003 365 HZ1 LYS 43 HZ1 LYS 43 2.077 20.829 5.748 366 HZ2 LYS 43 HZ2 LYS 43 1.063 22.166 5.890 367 HZ3 LYS 43 HZ3 LYS 43 1.132 21.340 4.445 368 H ASN 44 H ASN 44 -4.661 18.114 3.478 369 HA ASN 44 HA ASN 44 -6.539 20.002 4.612 370 HB2 ASN 44 HB2 ASN 44 -5.608 20.402 2.380 371 HB3 ASN 44 HB3 ASN 44 -6.296 18.888 1.804 372 HD21 ASN 44 HD21 ASN 44 -8.504 18.810 1.304 373 HD22 ASN 44 HD22 ASN 44 -9.481 20.216 1.225 374 H ASN 45 H ASN 45 -6.506 16.786 3.523 375 HA ASN 45 HA ASN 45 -9.400 16.420 3.617 376 HB2 ASN 45 HB2 ASN 45 -7.184 14.456 3.137 377 HB3 ASN 45 HB3 ASN 45 -8.906 14.204 2.862 378 HD21 ASN 45 HD21 ASN 45 -9.761 14.904 1.088 379 HD22 ASN 45 HD22 ASN 45 -8.893 15.654 -0.217 380 H ASN 46 H ASN 46 -6.505 15.717 5.452 381 HA ASN 46 HA ASN 46 -6.028 14.759 7.374 382 HB2 ASN 46 HB2 ASN 46 -8.962 15.190 7.954 383 HB3 ASN 46 HB3 ASN 46 -7.838 14.541 9.142 384 HD21 ASN 46 HD21 ASN 46 -8.810 17.345 7.348 385 HD22 ASN 46 HD22 ASN 46 -7.895 18.485 8.263 386 H ARG 47 H ARG 47 -7.224 13.161 5.011 387 HA ARG 47 HA ARG 47 -7.932 10.744 6.489 388 HB2 ARG 47 HB2 ARG 47 -8.589 9.822 4.312 389 HB3 ARG 47 HB3 ARG 47 -9.419 11.327 4.695 390 HG2 ARG 47 HG2 ARG 47 -7.920 12.533 3.288 391 HG3 ARG 47 HG3 ARG 47 -7.050 11.046 2.917 392 HD2 ARG 47 HD2 ARG 47 -9.019 10.107 1.863 393 HD3 ARG 47 HD3 ARG 47 -9.973 11.533 2.284 394 HE ARG 47 HE ARG 47 -8.010 12.615 0.837 395 HH11 ARG 47 HH11 ARG 47 -10.035 9.790 0.154 396 HH12 ARG 47 HH12 ARG 47 -9.965 10.019 -1.529 397 HH21 ARG 47 HH21 ARG 47 -7.920 12.888 -1.502 398 HH22 ARG 47 HH22 ARG 47 -8.758 11.770 -2.470 399 H GLN 48 H GLN 48 -6.780 8.789 6.255 400 HA GLN 48 HA GLN 48 -4.067 9.157 5.414 401 HB2 GLN 48 HB2 GLN 48 -4.641 8.174 7.609 402 HB3 GLN 48 HB3 GLN 48 -5.433 6.834 6.782 403 HG2 GLN 48 HG2 GLN 48 -3.300 6.337 5.697 404 HG3 GLN 48 HG3 GLN 48 -2.596 7.646 6.641 405 HE21 GLN 48 HE21 GLN 48 -1.136 6.186 7.651 406 HE22 GLN 48 HE22 GLN 48 -1.656 5.105 8.890 407 H VAL 49 H VAL 49 -3.391 8.445 3.532 408 HA VAL 49 HA VAL 49 -5.046 6.569 2.020 409 HB VAL 49 HB VAL 49 -4.383 7.821 -0.023 410 HG11 VAL 49 HG11 VAL 49 -6.653 8.025 0.928 411 HG12 VAL 49 HG12 VAL 49 -6.143 9.566 0.249 412 HG13 VAL 49 HG13 VAL 49 -6.097 9.312 1.998 413 HG21 VAL 49 HG21 VAL 49 -2.546 9.113 0.831 414 HG22 VAL 49 HG22 VAL 49 -3.612 9.956 1.958 415 HG23 VAL 49 HG23 VAL 49 -3.786 10.204 0.218 416 H CYS 50 H CYS 50 -3.864 5.763 0.105 417 HA CYS 50 HA CYS 50 -1.090 5.218 0.821 418 HB2 CYS 50 HB2 CYS 50 -2.972 3.675 -0.943 419 HB3 CYS 50 HB3 CYS 50 -1.325 3.203 -0.511 420 H ILE 51 H ILE 51 0.462 5.570 -0.644 421 HA ILE 51 HA ILE 51 -0.281 7.214 -2.913 422 HB ILE 51 HB ILE 51 2.228 6.926 -1.290 423 HG12 ILE 51 HG12 ILE 51 0.329 9.228 -1.696 424 HG13 ILE 51 HG13 ILE 51 0.534 8.273 -0.232 425 HG21 ILE 51 HG21 ILE 51 2.934 7.195 -3.534 426 HG22 ILE 51 HG22 ILE 51 3.138 8.739 -2.675 427 HG23 ILE 51 HG23 ILE 51 1.762 8.489 -3.768 428 HD11 ILE 51 HD11 ILE 51 2.612 10.040 -1.483 429 HD12 ILE 51 HD12 ILE 51 2.806 9.112 0.007 430 HD13 ILE 51 HD13 ILE 51 1.634 10.433 -0.073 431 H ASP 52 H ASP 52 0.276 6.675 -4.925 432 HA ASP 52 HA ASP 52 1.294 4.067 -5.514 433 HB2 ASP 52 HB2 ASP 52 -0.368 5.287 -6.955 434 HB3 ASP 52 HB3 ASP 52 0.901 6.426 -7.372 435 HA PRO 53 HA PRO 53 5.548 5.360 -5.004 436 HB2 PRO 53 HB2 PRO 53 6.728 3.335 -6.400 437 HB3 PRO 53 HB3 PRO 53 6.102 3.165 -4.753 438 HG2 PRO 53 HG2 PRO 53 4.781 2.467 -7.357 439 HG3 PRO 53 HG3 PRO 53 4.891 1.498 -5.878 440 HD2 PRO 53 HD2 PRO 53 2.674 2.828 -6.430 441 HD3 PRO 53 HD3 PRO 53 3.312 2.800 -4.765 442 H LYS 54 H LYS 54 4.058 5.203 -8.202 443 HA LYS 54 HA LYS 54 6.406 5.882 -9.578 444 HB2 LYS 54 HB2 LYS 54 4.401 4.540 -10.381 445 HB3 LYS 54 HB3 LYS 54 3.545 6.070 -10.429 446 HG2 LYS 54 HG2 LYS 54 6.053 5.704 -11.873 447 HG3 LYS 54 HG3 LYS 54 4.534 5.051 -12.522 448 HD2 LYS 54 HD2 LYS 54 4.932 7.904 -11.696 449 HD3 LYS 54 HD3 LYS 54 5.195 7.399 -13.384 450 HE2 LYS 54 HE2 LYS 54 2.625 7.235 -11.774 451 HE3 LYS 54 HE3 LYS 54 2.986 8.391 -13.048 452 HZ1 LYS 54 HZ1 LYS 54 1.617 6.553 -13.835 453 HZ2 LYS 54 HZ2 LYS 54 2.816 5.449 -13.439 454 HZ3 LYS 54 HZ3 LYS 54 3.084 6.583 -14.642 455 H LEU 55 H LEU 55 4.166 7.699 -7.667 456 HA LEU 55 HA LEU 55 3.887 10.160 -8.974 457 HB2 LEU 55 HB2 LEU 55 4.337 9.562 -6.105 458 HB3 LEU 55 HB3 LEU 55 3.926 11.166 -6.615 459 HG LEU 55 HG LEU 55 2.244 8.654 -6.616 460 HD11 LEU 55 HD11 LEU 55 0.718 9.988 -5.321 461 HD12 LEU 55 HD12 LEU 55 1.703 11.416 -5.599 462 HD13 LEU 55 HD13 LEU 55 2.336 10.112 -4.608 463 HD21 LEU 55 HD21 LEU 55 1.914 9.638 -8.803 464 HD22 LEU 55 HD22 LEU 55 1.633 11.221 -8.055 465 HD23 LEU 55 HD23 LEU 55 0.502 9.896 -7.786 466 H LYS 56 H LYS 56 4.970 11.914 -9.394 467 HA LYS 56 HA LYS 56 7.742 11.618 -9.768 468 HB2 LYS 56 HB2 LYS 56 6.050 14.110 -9.980 469 HB3 LYS 56 HB3 LYS 56 7.753 14.066 -10.362 470 HG2 LYS 56 HG2 LYS 56 6.564 13.968 -12.414 471 HG3 LYS 56 HG3 LYS 56 7.233 12.371 -12.123 472 HD2 LYS 56 HD2 LYS 56 5.060 11.564 -11.410 473 HD3 LYS 56 HD3 LYS 56 4.372 13.179 -11.573 474 HE2 LYS 56 HE2 LYS 56 4.946 13.145 -13.986 475 HE3 LYS 56 HE3 LYS 56 5.550 11.503 -13.791 476 HZ1 LYS 56 HZ1 LYS 56 3.294 10.825 -13.147 477 HZ2 LYS 56 HZ2 LYS 56 3.336 11.484 -14.679 478 HZ3 LYS 56 HZ3 LYS 56 2.727 12.390 -13.404 479 H TRP 57 H TRP 57 5.946 13.455 -7.358 480 HA TRP 57 HA TRP 57 8.315 14.553 -6.221 481 HB2 TRP 57 HB2 TRP 57 6.919 15.322 -4.373 482 HB3 TRP 57 HB3 TRP 57 6.127 15.664 -5.891 483 HD1 TRP 57 HD1 TRP 57 3.862 14.219 -6.418 484 HE1 TRP 57 HE1 TRP 57 2.242 13.052 -4.791 485 HE3 TRP 57 HE3 TRP 57 6.840 13.952 -2.280 486 HZ2 TRP 57 HZ2 TRP 57 2.217 12.127 -2.206 487 HZ3 TRP 57 HZ3 TRP 57 5.945 12.899 -0.262 488 HH2 TRP 57 HH2 TRP 57 3.672 11.997 -0.214 489 H ILE 58 H ILE 58 6.650 11.600 -5.897 490 HA ILE 58 HA ILE 58 7.745 10.743 -3.453 491 HB ILE 58 HB ILE 58 6.399 9.380 -5.755 492 HG12 ILE 58 HG12 ILE 58 5.018 10.588 -4.161 493 HG13 ILE 58 HG13 ILE 58 4.689 8.862 -4.129 494 HG21 ILE 58 HG21 ILE 58 7.550 7.902 -3.415 495 HG22 ILE 58 HG22 ILE 58 8.022 7.767 -5.124 496 HG23 ILE 58 HG23 ILE 58 6.399 7.280 -4.607 497 HD11 ILE 58 HD11 ILE 58 4.709 9.779 -1.901 498 HD12 ILE 58 HD12 ILE 58 6.355 10.366 -2.120 499 HD13 ILE 58 HD13 ILE 58 6.028 8.630 -2.125 500 H GLN 59 H GLN 59 8.674 10.388 -6.803 501 HA GLN 59 HA GLN 59 10.922 8.764 -6.459 502 HB2 GLN 59 HB2 GLN 59 10.510 10.994 -8.458 503 HB3 GLN 59 HB3 GLN 59 11.689 9.698 -8.600 504 HG2 GLN 59 HG2 GLN 59 9.896 8.049 -8.759 505 HG3 GLN 59 HG3 GLN 59 8.694 9.319 -8.554 506 HE21 GLN 59 HE21 GLN 59 7.712 8.871 -10.538 507 HE22 GLN 59 HE22 GLN 59 8.490 9.265 -12.034 508 H GLU 60 H GLU 60 10.564 12.274 -6.292 509 HA GLU 60 HA GLU 60 13.257 13.011 -5.753 510 HB2 GLU 60 HB2 GLU 60 10.722 14.359 -4.776 511 HB3 GLU 60 HB3 GLU 60 12.312 15.094 -4.864 512 HG2 GLU 60 HG2 GLU 60 10.665 14.176 -7.207 513 HG3 GLU 60 HG3 GLU 60 10.839 15.840 -6.657 514 H TYR 61 H TYR 61 10.549 12.143 -3.764 515 HA TYR 61 HA TYR 61 11.608 12.615 -1.207 516 HB2 TYR 61 HB2 TYR 61 9.239 12.483 -1.481 517 HB3 TYR 61 HB3 TYR 61 9.363 10.901 -2.232 518 HD1 TYR 61 HD1 TYR 61 10.231 12.530 1.034 519 HD2 TYR 61 HD2 TYR 61 8.696 9.099 -0.973 520 HE1 TYR 61 HE1 TYR 61 9.789 11.457 3.202 521 HE2 TYR 61 HE2 TYR 61 8.257 8.010 1.160 522 HH TYR 61 HH TYR 61 9.037 8.163 3.522 523 H LEU 62 H LEU 62 11.485 9.717 -3.210 524 HA LEU 62 HA LEU 62 12.544 7.963 -1.292 525 HB2 LEU 62 HB2 LEU 62 12.685 7.811 -4.290 526 HB3 LEU 62 HB3 LEU 62 13.040 6.492 -3.190 527 HG LEU 62 HG LEU 62 10.373 7.825 -3.576 528 HD11 LEU 62 HD11 LEU 62 11.346 5.077 -4.284 529 HD12 LEU 62 HD12 LEU 62 10.989 6.396 -5.399 530 HD13 LEU 62 HD13 LEU 62 9.686 5.665 -4.455 531 HD21 LEU 62 HD21 LEU 62 9.518 6.132 -2.053 532 HD22 LEU 62 HD22 LEU 62 10.689 7.191 -1.265 533 HD23 LEU 62 HD23 LEU 62 11.166 5.562 -1.756 534 H GLU 63 H GLU 63 14.095 9.752 -3.881 535 HA GLU 63 HA GLU 63 16.658 8.763 -3.323 536 HB2 GLU 63 HB2 GLU 63 15.933 11.376 -4.647 537 HB3 GLU 63 HB3 GLU 63 17.531 10.642 -4.650 538 HG2 GLU 63 HG2 GLU 63 16.520 8.645 -5.776 539 HG3 GLU 63 HG3 GLU 63 15.030 9.588 -5.894 540 H LYS 64 H LYS 64 14.992 11.571 -2.011 541 HA LYS 64 HA LYS 64 17.407 12.320 -0.629 542 HB2 LYS 64 HB2 LYS 64 14.664 13.499 -0.467 543 HB3 LYS 64 HB3 LYS 64 16.069 14.162 0.351 544 HG2 LYS 64 HG2 LYS 64 15.657 13.934 -2.638 545 HG3 LYS 64 HG3 LYS 64 15.639 15.417 -1.691 546 HD2 LYS 64 HD2 LYS 64 18.043 13.598 -2.074 547 HD3 LYS 64 HD3 LYS 64 17.764 15.107 -2.919 548 HE2 LYS 64 HE2 LYS 64 18.081 14.844 0.077 549 HE3 LYS 64 HE3 LYS 64 19.357 15.323 -1.039 550 HZ1 LYS 64 HZ1 LYS 64 18.258 17.240 0.049 551 HZ2 LYS 64 HZ2 LYS 64 16.810 16.805 -0.692 552 HZ3 LYS 64 HZ3 LYS 64 18.112 17.267 -1.630 553 H ALA 65 H ALA 65 14.606 10.436 0.196 554 HA ALA 65 HA ALA 65 15.312 10.636 3.027 555 HB1 ALA 65 HB1 ALA 65 12.941 10.864 2.413 556 HB2 ALA 65 HB2 ALA 65 13.234 9.493 3.490 557 HB3 ALA 65 HB3 ALA 65 12.972 9.218 1.775 558 H LEU 66 H LEU 66 15.258 8.251 0.437 559 HA LEU 66 HA LEU 66 15.989 6.195 2.379 560 HB2 LEU 66 HB2 LEU 66 15.309 5.907 -0.536 561 HB3 LEU 66 HB3 LEU 66 15.663 4.580 0.550 562 HG LEU 66 HG LEU 66 13.289 6.431 0.691 563 HD11 LEU 66 HD11 LEU 66 13.134 4.791 -1.079 564 HD12 LEU 66 HD12 LEU 66 12.006 4.409 0.222 565 HD13 LEU 66 HD13 LEU 66 13.507 3.496 0.059 566 HD21 LEU 66 HD21 LEU 66 13.961 5.880 2.930 567 HD22 LEU 66 HD22 LEU 66 14.094 4.164 2.520 568 HD23 LEU 66 HD23 LEU 66 12.519 4.966 2.528 569 H ASN 67 H ASN 67 17.461 8.098 -0.048 570 HA ASN 67 HA ASN 67 19.838 6.404 -0.126 571 HB2 ASN 67 HB2 ASN 67 19.166 7.595 -2.180 572 HB3 ASN 67 HB3 ASN 67 19.305 9.131 -1.337 573 HD21 ASN 67 HD21 ASN 67 20.819 9.981 -2.691 574 HD22 ASN 67 HD22 ASN 67 22.433 9.391 -2.797 575 H LYS 68 H LYS 68 18.723 9.426 1.240 576 HA LYS 68 HA LYS 68 21.259 9.768 2.655 577 HB2 LYS 68 HB2 LYS 68 20.118 11.750 1.352 578 HB3 LYS 68 HB3 LYS 68 18.886 11.628 2.588 579 HG2 LYS 68 HG2 LYS 68 21.755 12.211 3.240 580 HG3 LYS 68 HG3 LYS 68 20.597 13.466 2.844 581 HD2 LYS 68 HD2 LYS 68 20.165 11.477 5.025 582 HD3 LYS 68 HD3 LYS 68 21.026 12.992 5.335 583 HE2 LYS 68 HE2 LYS 68 18.724 13.284 6.029 584 HE3 LYS 68 HE3 LYS 68 18.952 14.165 4.525 585 HZ1 LYS 68 HZ1 LYS 68 17.857 11.432 4.575 586 HZ2 LYS 68 HZ2 LYS 68 17.718 12.537 3.335 587 HZ3 LYS 68 HZ3 LYS 68 16.826 12.755 4.745 Start of MODEL 3 1 H LYS 1 H LYS 1 -20.094 -7.483 6.630 2 HA LYS 1 HA LYS 1 -19.630 -9.411 5.236 3 HB2 LYS 1 HB2 LYS 1 -19.227 -6.799 3.739 4 HB3 LYS 1 HB3 LYS 1 -19.762 -8.318 3.052 5 HG2 LYS 1 HG2 LYS 1 -21.813 -8.199 4.340 6 HG3 LYS 1 HG3 LYS 1 -21.274 -6.678 5.063 7 HD2 LYS 1 HD2 LYS 1 -21.174 -5.660 2.849 8 HD3 LYS 1 HD3 LYS 1 -21.709 -7.169 2.121 9 HE2 LYS 1 HE2 LYS 1 -23.800 -7.017 3.417 10 HE3 LYS 1 HE3 LYS 1 -23.248 -5.477 4.073 11 HZ1 LYS 1 HZ1 LYS 1 -24.779 -5.221 2.218 12 HZ2 LYS 1 HZ2 LYS 1 -23.715 -6.015 1.189 13 HZ3 LYS 1 HZ3 LYS 1 -23.288 -4.525 1.867 14 HA PRO 2 HA PRO 2 -15.299 -9.839 4.188 15 HB2 PRO 2 HB2 PRO 2 -15.970 -11.583 1.955 16 HB3 PRO 2 HB3 PRO 2 -15.238 -12.036 3.501 17 HG2 PRO 2 HG2 PRO 2 -17.762 -12.754 2.761 18 HG3 PRO 2 HG3 PRO 2 -17.285 -12.520 4.447 19 HD2 PRO 2 HD2 PRO 2 -18.757 -10.678 2.615 20 HD3 PRO 2 HD3 PRO 2 -19.034 -11.034 4.338 21 H VAL 3 H VAL 3 -14.804 -7.839 3.331 22 HA VAL 3 HA VAL 3 -15.514 -7.326 0.528 23 HB VAL 3 HB VAL 3 -14.637 -5.341 2.657 24 HG11 VAL 3 HG11 VAL 3 -13.982 -4.613 0.431 25 HG12 VAL 3 HG12 VAL 3 -15.300 -3.616 1.050 26 HG13 VAL 3 HG13 VAL 3 -15.628 -4.868 -0.147 27 HG21 VAL 3 HG21 VAL 3 -16.956 -4.542 2.594 28 HG22 VAL 3 HG22 VAL 3 -16.861 -6.223 3.118 29 HG23 VAL 3 HG23 VAL 3 -17.368 -5.837 1.471 30 H SER 4 H SER 4 -14.008 -7.168 -0.964 31 HA SER 4 HA SER 4 -12.060 -7.299 -2.052 32 HB2 SER 4 HB2 SER 4 -10.888 -5.885 0.372 33 HB3 SER 4 HB3 SER 4 -10.159 -5.982 -1.231 34 HG SER 4 HG SER 4 -12.461 -5.051 -1.747 35 H LEU 5 H LEU 5 -12.014 -9.503 -2.019 36 HA LEU 5 HA LEU 5 -10.753 -10.873 0.183 37 HB2 LEU 5 HB2 LEU 5 -11.909 -11.955 -2.373 38 HB3 LEU 5 HB3 LEU 5 -11.385 -12.910 -0.998 39 HG LEU 5 HG LEU 5 -13.686 -10.963 -1.037 40 HD11 LEU 5 HD11 LEU 5 -14.154 -13.051 -2.192 41 HD12 LEU 5 HD12 LEU 5 -15.064 -12.901 -0.695 42 HD13 LEU 5 HD13 LEU 5 -13.648 -13.952 -0.759 43 HD21 LEU 5 HD21 LEU 5 -12.604 -10.902 1.116 44 HD22 LEU 5 HD22 LEU 5 -12.617 -12.668 1.198 45 HD23 LEU 5 HD23 LEU 5 -14.130 -11.762 1.239 46 H SER 6 H SER 6 -9.403 -12.908 -0.731 47 HA SER 6 HA SER 6 -7.365 -13.622 -1.351 48 HB2 SER 6 HB2 SER 6 -7.407 -11.348 -3.374 49 HB3 SER 6 HB3 SER 6 -6.345 -12.761 -3.422 50 HG SER 6 HG SER 6 -8.734 -13.708 -3.194 51 H TYR 7 H TYR 7 -4.913 -12.423 -1.785 52 HA TYR 7 HA TYR 7 -4.666 -10.996 0.689 53 HB2 TYR 7 HB2 TYR 7 -2.857 -12.582 -0.079 54 HB3 TYR 7 HB3 TYR 7 -2.473 -11.438 -1.360 55 HD1 TYR 7 HD1 TYR 7 -1.503 -9.191 -0.781 56 HD2 TYR 7 HD2 TYR 7 -2.157 -12.160 2.195 57 HE1 TYR 7 HE1 TYR 7 -0.050 -7.949 0.778 58 HE2 TYR 7 HE2 TYR 7 -0.710 -10.928 3.746 59 HH TYR 7 HH TYR 7 0.239 -7.746 3.229 60 H ARG 8 H ARG 8 -5.433 -9.096 0.707 61 HA ARG 8 HA ARG 8 -4.854 -7.299 -1.488 62 HB2 ARG 8 HB2 ARG 8 -6.734 -7.042 0.860 63 HB3 ARG 8 HB3 ARG 8 -6.482 -5.777 -0.333 64 HG2 ARG 8 HG2 ARG 8 -7.498 -8.547 -0.921 65 HG3 ARG 8 HG3 ARG 8 -8.495 -7.095 -0.794 66 HD2 ARG 8 HD2 ARG 8 -7.401 -6.107 -2.698 67 HD3 ARG 8 HD3 ARG 8 -6.226 -7.413 -2.778 68 HE ARG 8 HE ARG 8 -8.568 -8.677 -3.003 69 HH11 ARG 8 HH11 ARG 8 -7.173 -5.902 -4.744 70 HH12 ARG 8 HH12 ARG 8 -7.884 -6.301 -6.229 71 HH21 ARG 8 HH21 ARG 8 -9.528 -9.212 -5.084 72 HH22 ARG 8 HH22 ARG 8 -9.246 -8.211 -6.424 73 H CYS 9 H CYS 9 -3.113 -6.317 -1.419 74 HA CYS 9 HA CYS 9 -1.426 -6.067 0.783 75 HB2 CYS 9 HB2 CYS 9 -1.468 -4.465 -1.789 76 HB3 CYS 9 HB3 CYS 9 -0.064 -4.764 -0.765 77 HA PRO 10 HA PRO 10 -2.373 -2.754 3.524 78 HB2 PRO 10 HB2 PRO 10 -0.457 -1.098 1.961 79 HB3 PRO 10 HB3 PRO 10 -0.631 -1.278 3.706 80 HG2 PRO 10 HG2 PRO 10 1.198 -2.673 2.147 81 HG3 PRO 10 HG3 PRO 10 0.667 -3.146 3.761 82 HD2 PRO 10 HD2 PRO 10 0.200 -4.536 1.317 83 HD3 PRO 10 HD3 PRO 10 -0.481 -4.921 2.907 84 H CYS 11 H CYS 11 -1.913 -1.235 0.301 85 HA CYS 11 HA CYS 11 -4.324 0.312 0.887 86 HB2 CYS 11 HB2 CYS 11 -1.969 1.025 -0.840 87 HB3 CYS 11 HB3 CYS 11 -3.434 1.994 -0.683 88 H ARG 12 H ARG 12 -6.022 -0.008 -0.287 89 HA ARG 12 HA ARG 12 -5.933 -1.823 -2.550 90 HB2 ARG 12 HB2 ARG 12 -8.294 -0.372 -1.336 91 HB3 ARG 12 HB3 ARG 12 -8.359 -1.730 -2.449 92 HG2 ARG 12 HG2 ARG 12 -7.363 -3.175 -0.764 93 HG3 ARG 12 HG3 ARG 12 -7.254 -1.809 0.350 94 HD2 ARG 12 HD2 ARG 12 -9.743 -1.595 0.186 95 HD3 ARG 12 HD3 ARG 12 -9.747 -3.078 -0.764 96 HE ARG 12 HE ARG 12 -8.352 -3.718 1.459 97 HH11 ARG 12 HH11 ARG 12 -11.619 -2.500 0.849 98 HH12 ARG 12 HH12 ARG 12 -12.299 -3.103 2.282 99 HH21 ARG 12 HH21 ARG 12 -9.271 -4.581 3.454 100 HH22 ARG 12 HH22 ARG 12 -10.912 -4.344 3.803 101 H PHE 13 H PHE 13 -6.632 1.546 -1.839 102 HA PHE 13 HA PHE 13 -6.655 2.088 -4.723 103 HB2 PHE 13 HB2 PHE 13 -8.173 3.590 -2.568 104 HB3 PHE 13 HB3 PHE 13 -8.175 3.958 -4.283 105 HD1 PHE 13 HD1 PHE 13 -9.231 2.325 -5.869 106 HD2 PHE 13 HD2 PHE 13 -9.634 2.006 -1.645 107 HE1 PHE 13 HE1 PHE 13 -11.187 0.863 -6.166 108 HE2 PHE 13 HE2 PHE 13 -11.585 0.544 -1.934 109 HZ PHE 13 HZ PHE 13 -12.366 -0.025 -4.200 110 H PHE 14 H PHE 14 -5.613 4.003 -5.340 111 HA PHE 14 HA PHE 14 -3.967 5.284 -3.274 112 HB2 PHE 14 HB2 PHE 14 -3.262 4.830 -6.183 113 HB3 PHE 14 HB3 PHE 14 -2.302 5.712 -4.998 114 HD1 PHE 14 HD1 PHE 14 -1.424 4.450 -3.005 115 HD2 PHE 14 HD2 PHE 14 -3.020 2.529 -6.440 116 HE1 PHE 14 HE1 PHE 14 -0.269 2.399 -2.376 117 HE2 PHE 14 HE2 PHE 14 -1.870 0.458 -5.827 118 HZ PHE 14 HZ PHE 14 -0.484 0.376 -3.785 119 H GLU 15 H GLU 15 -3.800 7.509 -3.430 120 HA GLU 15 HA GLU 15 -6.005 8.800 -4.591 121 HB2 GLU 15 HB2 GLU 15 -3.516 9.874 -3.369 122 HB3 GLU 15 HB3 GLU 15 -4.803 10.920 -3.964 123 HG2 GLU 15 HG2 GLU 15 -5.040 8.812 -1.856 124 HG3 GLU 15 HG3 GLU 15 -4.966 10.555 -1.593 125 H SER 16 H SER 16 -2.541 8.705 -5.444 126 HA SER 16 HA SER 16 -1.347 9.402 -7.073 127 HB2 SER 16 HB2 SER 16 -2.186 8.847 -9.411 128 HB3 SER 16 HB3 SER 16 -2.255 7.563 -8.204 129 HG SER 16 HG SER 16 -4.529 8.990 -8.201 130 H HIS 17 H HIS 17 -3.036 11.367 -5.832 131 HA HIS 17 HA HIS 17 -2.428 13.600 -7.639 132 HB2 HIS 17 HB2 HIS 17 -4.866 12.973 -7.965 133 HB3 HIS 17 HB3 HIS 17 -5.128 13.295 -6.255 134 HD1 HIS 17 HD1 HIS 17 -4.076 15.111 -9.425 135 HD2 HIS 17 HD2 HIS 17 -5.673 15.948 -5.680 136 HE1 HIS 17 HE1 HIS 17 -4.573 17.517 -9.456 137 HE2 HIS 17 HE2 HIS 17 -5.012 18.020 -7.055 138 H VAL 18 H VAL 18 -1.191 12.462 -5.264 139 HA VAL 18 HA VAL 18 -1.930 14.325 -3.142 140 HB VAL 18 HB VAL 18 0.147 12.116 -3.074 141 HG11 VAL 18 HG11 VAL 18 -0.009 12.347 -0.632 142 HG12 VAL 18 HG12 VAL 18 -1.123 13.696 -0.847 143 HG13 VAL 18 HG13 VAL 18 0.541 13.833 -1.408 144 HG21 VAL 18 HG21 VAL 18 -2.037 11.185 -3.455 145 HG22 VAL 18 HG22 VAL 18 -2.697 12.088 -2.092 146 HG23 VAL 18 HG23 VAL 18 -1.506 10.820 -1.808 147 H ALA 19 H ALA 19 -0.787 16.084 -2.773 148 HA ALA 19 HA ALA 19 1.638 16.547 -4.327 149 HB1 ALA 19 HB1 ALA 19 -0.139 18.225 -4.431 150 HB2 ALA 19 HB2 ALA 19 1.327 18.887 -3.705 151 HB3 ALA 19 HB3 ALA 19 -0.037 18.437 -2.684 152 H ARG 20 H ARG 20 3.596 17.010 -3.393 153 HA ARG 20 HA ARG 20 4.389 15.840 -1.012 154 HB2 ARG 20 HB2 ARG 20 5.942 16.445 -2.787 155 HB3 ARG 20 HB3 ARG 20 5.626 18.151 -2.515 156 HG2 ARG 20 HG2 ARG 20 7.746 17.555 -1.573 157 HG3 ARG 20 HG3 ARG 20 6.632 17.927 -0.245 158 HD2 ARG 20 HD2 ARG 20 6.271 15.491 -0.024 159 HD3 ARG 20 HD3 ARG 20 7.506 15.237 -1.251 160 HE ARG 20 HE ARG 20 8.021 16.553 1.332 161 HH11 ARG 20 HH11 ARG 20 9.229 14.470 -1.308 162 HH12 ARG 20 HH12 ARG 20 10.587 13.958 -0.406 163 HH21 ARG 20 HH21 ARG 20 9.906 15.812 2.486 164 HH22 ARG 20 HH22 ARG 20 10.987 14.720 1.749 165 H ALA 21 H ALA 21 3.346 19.125 -1.641 166 HA ALA 21 HA ALA 21 4.082 20.129 0.934 167 HB1 ALA 21 HB1 ALA 21 2.287 21.330 -1.131 168 HB2 ALA 21 HB2 ALA 21 4.040 21.552 -1.049 169 HB3 ALA 21 HB3 ALA 21 3.004 22.164 0.252 170 H ASN 22 H ASN 22 1.367 18.407 -0.226 171 HA ASN 22 HA ASN 22 -0.381 19.483 1.861 172 HB2 ASN 22 HB2 ASN 22 -1.316 19.127 -0.432 173 HB3 ASN 22 HB3 ASN 22 -0.969 17.410 -0.281 174 HD21 ASN 22 HD21 ASN 22 -3.138 16.842 -0.520 175 HD22 ASN 22 HD22 ASN 22 -4.301 17.125 0.734 176 H VAL 23 H VAL 23 2.008 17.398 1.723 177 HA VAL 23 HA VAL 23 0.690 15.356 3.309 178 HB VAL 23 HB VAL 23 3.533 15.336 2.272 179 HG11 VAL 23 HG11 VAL 23 1.981 13.432 3.888 180 HG12 VAL 23 HG12 VAL 23 3.526 14.153 4.245 181 HG13 VAL 23 HG13 VAL 23 3.393 12.930 2.956 182 HG21 VAL 23 HG21 VAL 23 1.109 13.773 1.374 183 HG22 VAL 23 HG22 VAL 23 2.742 13.590 0.750 184 HG23 VAL 23 HG23 VAL 23 1.862 15.087 0.479 185 H LYS 24 H LYS 24 0.643 15.397 5.325 186 HA LYS 24 HA LYS 24 2.048 17.271 6.974 187 HB2 LYS 24 HB2 LYS 24 -0.341 16.385 7.185 188 HB3 LYS 24 HB3 LYS 24 0.381 14.906 7.806 189 HG2 LYS 24 HG2 LYS 24 -0.062 16.006 9.731 190 HG3 LYS 24 HG3 LYS 24 1.588 16.573 9.418 191 HD2 LYS 24 HD2 LYS 24 0.533 18.630 9.743 192 HD3 LYS 24 HD3 LYS 24 0.348 18.303 8.002 193 HE2 LYS 24 HE2 LYS 24 -1.790 19.064 8.949 194 HE3 LYS 24 HE3 LYS 24 -1.861 17.433 8.279 195 HZ1 LYS 24 HZ1 LYS 24 -1.686 18.165 11.151 196 HZ2 LYS 24 HZ2 LYS 24 -1.604 16.583 10.611 197 HZ3 LYS 24 HZ3 LYS 24 -3.012 17.493 10.411 198 H HIS 25 H HIS 25 2.091 13.852 6.212 199 HA HIS 25 HA HIS 25 4.510 13.292 7.761 200 HB2 HIS 25 HB2 HIS 25 2.813 13.007 9.479 201 HB3 HIS 25 HB3 HIS 25 1.788 12.147 8.366 202 HD1 HIS 25 HD1 HIS 25 4.478 11.613 10.839 203 HD2 HIS 25 HD2 HIS 25 2.597 9.482 7.812 204 HE1 HIS 25 HE1 HIS 25 4.959 9.199 11.338 205 HE2 HIS 25 HE2 HIS 25 3.496 7.952 9.731 206 H LEU 26 H LEU 26 5.675 11.674 6.746 207 HA LEU 26 HA LEU 26 4.272 10.035 4.755 208 HB2 LEU 26 HB2 LEU 26 7.069 11.154 4.717 209 HB3 LEU 26 HB3 LEU 26 6.572 9.834 3.677 210 HG LEU 26 HG LEU 26 5.193 12.513 3.669 211 HD11 LEU 26 HD11 LEU 26 7.333 11.474 1.821 212 HD12 LEU 26 HD12 LEU 26 7.539 12.787 2.990 213 HD13 LEU 26 HD13 LEU 26 6.414 12.968 1.637 214 HD21 LEU 26 HD21 LEU 26 5.213 10.192 1.758 215 HD22 LEU 26 HD22 LEU 26 4.356 11.711 1.521 216 HD23 LEU 26 HD23 LEU 26 3.891 10.636 2.839 217 H LYS 27 H LYS 27 4.209 7.905 5.068 218 HA LYS 27 HA LYS 27 6.173 6.618 6.783 219 HB2 LYS 27 HB2 LYS 27 3.955 6.924 7.917 220 HB3 LYS 27 HB3 LYS 27 3.189 6.187 6.532 221 HG2 LYS 27 HG2 LYS 27 3.351 4.629 8.333 222 HG3 LYS 27 HG3 LYS 27 4.359 4.113 6.977 223 HD2 LYS 27 HD2 LYS 27 6.307 5.104 8.092 224 HD3 LYS 27 HD3 LYS 27 5.283 5.497 9.481 225 HE2 LYS 27 HE2 LYS 27 4.708 3.152 9.635 226 HE3 LYS 27 HE3 LYS 27 5.833 2.866 8.293 227 HZ1 LYS 27 HZ1 LYS 27 7.662 3.704 9.664 228 HZ2 LYS 27 HZ2 LYS 27 6.944 2.408 10.443 229 HZ3 LYS 27 HZ3 LYS 27 6.633 3.988 10.950 230 H ILE 28 H ILE 28 7.011 4.747 5.674 231 HA ILE 28 HA ILE 28 5.595 4.121 3.175 232 HB ILE 28 HB ILE 28 8.511 3.444 3.730 233 HG12 ILE 28 HG12 ILE 28 7.302 5.765 2.275 234 HG13 ILE 28 HG13 ILE 28 8.242 5.872 3.776 235 HG21 ILE 28 HG21 ILE 28 7.176 2.215 1.874 236 HG22 ILE 28 HG22 ILE 28 8.634 3.107 1.393 237 HG23 ILE 28 HG23 ILE 28 7.067 3.854 1.159 238 HD11 ILE 28 HD11 ILE 28 10.167 4.889 2.419 239 HD12 ILE 28 HD12 ILE 28 9.614 6.526 1.953 240 HD13 ILE 28 HD13 ILE 28 9.070 5.149 1.031 241 H LEU 29 H LEU 29 4.842 2.116 2.817 242 HA LEU 29 HA LEU 29 5.370 0.049 4.839 243 HB2 LEU 29 HB2 LEU 29 3.093 0.302 2.872 244 HB3 LEU 29 HB3 LEU 29 3.247 -0.913 4.120 245 HG LEU 29 HG LEU 29 2.764 2.035 4.546 246 HD11 LEU 29 HD11 LEU 29 0.842 0.861 3.652 247 HD12 LEU 29 HD12 LEU 29 0.577 1.322 5.334 248 HD13 LEU 29 HD13 LEU 29 0.974 -0.348 4.930 249 HD21 LEU 29 HD21 LEU 29 2.436 1.436 6.907 250 HD22 LEU 29 HD22 LEU 29 4.079 1.129 6.365 251 HD23 LEU 29 HD23 LEU 29 2.949 -0.216 6.554 252 H ASN 30 H ASN 30 6.595 -1.609 4.101 253 HA ASN 30 HA ASN 30 6.845 -1.828 1.198 254 HB2 ASN 30 HB2 ASN 30 9.060 -2.854 1.503 255 HB3 ASN 30 HB3 ASN 30 8.989 -1.256 2.227 256 HD21 ASN 30 HD21 ASN 30 9.188 -1.062 4.465 257 HD22 ASN 30 HD22 ASN 30 9.681 -2.379 5.459 258 H THR 31 H THR 31 6.303 -3.565 0.156 259 HA THR 31 HA THR 31 5.968 -6.031 1.625 260 HB THR 31 HB THR 31 3.848 -6.461 0.241 261 HG1 THR 31 HG1 THR 31 4.412 -3.938 -0.513 262 HG21 THR 31 HG21 THR 31 3.791 -4.392 2.434 263 HG22 THR 31 HG22 THR 31 3.876 -6.145 2.643 264 HG23 THR 31 HG23 THR 31 2.421 -5.406 1.951 265 HA PRO 32 HA PRO 32 8.633 -7.078 -1.797 266 HB2 PRO 32 HB2 PRO 32 8.233 -9.761 -0.599 267 HB3 PRO 32 HB3 PRO 32 9.736 -8.923 -1.006 268 HG2 PRO 32 HG2 PRO 32 8.992 -9.127 1.512 269 HG3 PRO 32 HG3 PRO 32 9.668 -7.605 0.904 270 HD2 PRO 32 HD2 PRO 32 6.796 -8.301 1.447 271 HD3 PRO 32 HD3 PRO 32 7.679 -6.804 1.791 272 H ASN 33 H ASN 33 5.631 -8.717 -1.036 273 HA ASN 33 HA ASN 33 5.607 -10.021 -3.657 274 HB2 ASN 33 HB2 ASN 33 3.714 -10.294 -1.323 275 HB3 ASN 33 HB3 ASN 33 3.557 -11.163 -2.837 276 HD21 ASN 33 HD21 ASN 33 5.327 -10.864 0.120 277 HD22 ASN 33 HD22 ASN 33 6.216 -12.330 -0.010 278 H CYS 34 H CYS 34 4.848 -7.045 -2.700 279 HA CYS 34 HA CYS 34 2.534 -6.992 -4.503 280 HB2 CYS 34 HB2 CYS 34 2.842 -5.272 -2.033 281 HB3 CYS 34 HB3 CYS 34 1.511 -5.212 -3.176 282 H ALA 35 H ALA 35 4.328 -4.431 -2.800 283 HA ALA 35 HA ALA 35 5.891 -3.365 -4.744 284 HB1 ALA 35 HB1 ALA 35 4.449 -1.506 -5.582 285 HB2 ALA 35 HB2 ALA 35 3.075 -2.258 -4.769 286 HB3 ALA 35 HB3 ALA 35 3.852 -3.079 -6.124 287 H LEU 36 H LEU 36 5.626 -0.712 -4.266 288 HA LEU 36 HA LEU 36 5.677 -0.563 -1.381 289 HB2 LEU 36 HB2 LEU 36 6.820 1.222 -3.461 290 HB3 LEU 36 HB3 LEU 36 6.506 1.834 -1.852 291 HG LEU 36 HG LEU 36 8.776 1.231 -2.065 292 HD11 LEU 36 HD11 LEU 36 7.329 -0.730 -0.336 293 HD12 LEU 36 HD12 LEU 36 7.763 0.925 0.085 294 HD13 LEU 36 HD13 LEU 36 9.023 -0.276 -0.173 295 HD21 LEU 36 HD21 LEU 36 7.780 -1.499 -2.705 296 HD22 LEU 36 HD22 LEU 36 9.486 -1.124 -2.417 297 HD23 LEU 36 HD23 LEU 36 8.642 -0.437 -3.824 298 H GLN 37 H GLN 37 4.515 0.431 -0.293 299 HA GLN 37 HA GLN 37 2.296 2.052 -1.424 300 HB2 GLN 37 HB2 GLN 37 2.181 0.156 0.938 301 HB3 GLN 37 HB3 GLN 37 0.982 1.396 0.688 302 HG2 GLN 37 HG2 GLN 37 0.127 -0.745 -0.016 303 HG3 GLN 37 HG3 GLN 37 0.319 0.297 -1.409 304 HE21 GLN 37 HE21 GLN 37 1.551 -2.441 0.283 305 HE22 GLN 37 HE22 GLN 37 2.437 -3.127 -1.011 306 H ILE 38 H ILE 38 2.421 4.114 -0.778 307 HA ILE 38 HA ILE 38 3.939 4.512 1.672 308 HB ILE 38 HB ILE 38 3.658 6.513 -0.607 309 HG12 ILE 38 HG12 ILE 38 5.801 4.502 0.075 310 HG13 ILE 38 HG13 ILE 38 4.904 4.648 -1.413 311 HG21 ILE 38 HG21 ILE 38 5.481 7.693 0.568 312 HG22 ILE 38 HG22 ILE 38 5.457 6.444 1.814 313 HG23 ILE 38 HG23 ILE 38 4.070 7.525 1.619 314 HD11 ILE 38 HD11 ILE 38 6.089 6.824 -1.808 315 HD12 ILE 38 HD12 ILE 38 7.068 5.362 -1.793 316 HD13 ILE 38 HD13 ILE 38 7.089 6.413 -0.384 317 H VAL 39 H VAL 39 3.075 5.628 3.246 318 HA VAL 39 HA VAL 39 0.273 6.448 2.883 319 HB VAL 39 HB VAL 39 1.678 5.461 5.393 320 HG11 VAL 39 HG11 VAL 39 0.042 7.175 5.989 321 HG12 VAL 39 HG12 VAL 39 -0.519 5.588 6.491 322 HG13 VAL 39 HG13 VAL 39 -1.198 6.343 5.048 323 HG21 VAL 39 HG21 VAL 39 0.117 3.579 5.242 324 HG22 VAL 39 HG22 VAL 39 1.157 3.694 3.816 325 HG23 VAL 39 HG23 VAL 39 -0.519 4.239 3.733 326 H ALA 40 H ALA 40 -0.300 8.446 3.400 327 HA ALA 40 HA ALA 40 1.653 10.148 4.736 328 HB1 ALA 40 HB1 ALA 40 1.292 11.874 3.141 329 HB2 ALA 40 HB2 ALA 40 0.170 10.840 2.260 330 HB3 ALA 40 HB3 ALA 40 1.908 10.424 2.341 331 H ARG 41 H ARG 41 0.698 11.846 5.760 332 HA ARG 41 HA ARG 41 -2.189 11.624 5.850 333 HB2 ARG 41 HB2 ARG 41 -0.944 11.305 7.999 334 HB3 ARG 41 HB3 ARG 41 -0.396 12.956 7.839 335 HG2 ARG 41 HG2 ARG 41 -2.509 13.853 8.133 336 HG3 ARG 41 HG3 ARG 41 -3.307 12.314 7.804 337 HD2 ARG 41 HD2 ARG 41 -2.400 11.377 9.674 338 HD3 ARG 41 HD3 ARG 41 -1.509 12.869 10.108 339 HE ARG 41 HE ARG 41 -4.375 13.228 9.815 340 HH11 ARG 41 HH11 ARG 41 -1.944 12.362 12.238 341 HH12 ARG 41 HH12 ARG 41 -2.959 12.775 13.547 342 HH21 ARG 41 HH21 ARG 41 -5.703 13.775 11.575 343 HH22 ARG 41 HH22 ARG 41 -5.119 13.588 13.175 344 H LEU 42 H LEU 42 -3.393 13.130 5.317 345 HA LEU 42 HA LEU 42 -2.273 15.197 3.645 346 HB2 LEU 42 HB2 LEU 42 -5.134 14.453 4.304 347 HB3 LEU 42 HB3 LEU 42 -4.694 15.679 3.134 348 HG LEU 42 HG LEU 42 -4.117 12.731 2.986 349 HD11 LEU 42 HD11 LEU 42 -6.414 13.312 2.535 350 HD12 LEU 42 HD12 LEU 42 -5.587 12.836 1.047 351 HD13 LEU 42 HD13 LEU 42 -5.885 14.545 1.388 352 HD21 LEU 42 HD21 LEU 42 -3.226 13.212 0.745 353 HD22 LEU 42 HD22 LEU 42 -2.262 13.957 2.023 354 HD23 LEU 42 HD23 LEU 42 -3.379 14.939 1.076 355 H LYS 43 H LYS 43 -2.288 17.359 3.989 356 HA LYS 43 HA LYS 43 -2.829 18.287 6.647 357 HB2 LYS 43 HB2 LYS 43 -2.082 19.836 4.175 358 HB3 LYS 43 HB3 LYS 43 -2.085 20.445 5.824 359 HG2 LYS 43 HG2 LYS 43 -0.394 18.742 6.390 360 HG3 LYS 43 HG3 LYS 43 -0.316 18.302 4.689 361 HD2 LYS 43 HD2 LYS 43 1.497 19.828 5.243 362 HD3 LYS 43 HD3 LYS 43 0.357 20.618 4.152 363 HE2 LYS 43 HE2 LYS 43 -0.657 21.802 6.003 364 HE3 LYS 43 HE3 LYS 43 0.354 20.924 7.146 365 HZ1 LYS 43 HZ1 LYS 43 2.276 21.978 6.203 366 HZ2 LYS 43 HZ2 LYS 43 1.187 23.147 6.713 367 HZ3 LYS 43 HZ3 LYS 43 1.364 22.801 5.067 368 H ASN 44 H ASN 44 -4.311 18.605 3.463 369 HA ASN 44 HA ASN 44 -6.219 20.543 4.304 370 HB2 ASN 44 HB2 ASN 44 -7.310 20.214 2.132 371 HB3 ASN 44 HB3 ASN 44 -5.576 20.349 1.930 372 HD21 ASN 44 HD21 ASN 44 -7.567 19.190 0.166 373 HD22 ASN 44 HD22 ASN 44 -7.122 17.558 -0.109 374 H ASN 45 H ASN 45 -6.363 17.079 3.918 375 HA ASN 45 HA ASN 45 -9.110 16.980 4.956 376 HB2 ASN 45 HB2 ASN 45 -7.258 14.770 4.056 377 HB3 ASN 45 HB3 ASN 45 -8.878 14.509 4.676 378 HD21 ASN 45 HD21 ASN 45 -9.429 13.517 2.774 379 HD22 ASN 45 HD22 ASN 45 -9.718 14.390 1.313 380 H ASN 46 H ASN 46 -5.892 16.619 5.993 381 HA ASN 46 HA ASN 46 -4.847 16.113 7.890 382 HB2 ASN 46 HB2 ASN 46 -6.527 17.756 8.799 383 HB3 ASN 46 HB3 ASN 46 -7.531 16.397 9.284 384 HD21 ASN 46 HD21 ASN 46 -7.383 16.938 11.474 385 HD22 ASN 46 HD22 ASN 46 -5.943 16.721 12.399 386 H ARG 47 H ARG 47 -6.162 13.988 6.263 387 HA ARG 47 HA ARG 47 -6.283 11.891 8.324 388 HB2 ARG 47 HB2 ARG 47 -7.875 10.736 7.033 389 HB3 ARG 47 HB3 ARG 47 -8.392 12.422 7.119 390 HG2 ARG 47 HG2 ARG 47 -7.578 12.820 4.912 391 HG3 ARG 47 HG3 ARG 47 -6.989 11.153 4.823 392 HD2 ARG 47 HD2 ARG 47 -9.308 10.337 5.115 393 HD3 ARG 47 HD3 ARG 47 -9.883 12.002 5.122 394 HE ARG 47 HE ARG 47 -8.449 11.517 2.737 395 HH11 ARG 47 HH11 ARG 47 -11.521 10.647 4.279 396 HH12 ARG 47 HH12 ARG 47 -12.333 10.347 2.826 397 HH21 ARG 47 HH21 ARG 47 -9.599 11.107 0.710 398 HH22 ARG 47 HH22 ARG 47 -11.212 10.624 0.755 399 H GLN 48 H GLN 48 -5.258 9.876 7.789 400 HA GLN 48 HA GLN 48 -3.145 10.095 5.872 401 HB2 GLN 48 HB2 GLN 48 -3.977 7.858 7.702 402 HB3 GLN 48 HB3 GLN 48 -2.855 7.604 6.381 403 HG2 GLN 48 HG2 GLN 48 -1.338 9.095 7.209 404 HG3 GLN 48 HG3 GLN 48 -2.399 9.673 8.464 405 HE21 GLN 48 HE21 GLN 48 0.215 8.563 8.770 406 HE22 GLN 48 HE22 GLN 48 0.102 7.102 9.675 407 H VAL 49 H VAL 49 -2.801 9.028 4.102 408 HA VAL 49 HA VAL 49 -5.044 7.609 2.915 409 HB VAL 49 HB VAL 49 -4.925 10.184 2.440 410 HG11 VAL 49 HG11 VAL 49 -3.812 10.831 0.392 411 HG12 VAL 49 HG12 VAL 49 -2.928 9.319 0.447 412 HG13 VAL 49 HG13 VAL 49 -2.735 10.488 1.758 413 HG21 VAL 49 HG21 VAL 49 -5.494 8.174 0.264 414 HG22 VAL 49 HG22 VAL 49 -6.016 9.845 0.238 415 HG23 VAL 49 HG23 VAL 49 -6.628 8.753 1.481 416 H CYS 50 H CYS 50 -4.254 6.986 0.631 417 HA CYS 50 HA CYS 50 -1.592 5.883 1.006 418 HB2 CYS 50 HB2 CYS 50 -3.907 4.779 -0.548 419 HB3 CYS 50 HB3 CYS 50 -2.280 4.113 -0.588 420 H ILE 51 H ILE 51 -0.055 6.415 -0.155 421 HA ILE 51 HA ILE 51 -0.407 8.040 -2.512 422 HB ILE 51 HB ILE 51 1.851 7.489 -0.615 423 HG12 ILE 51 HG12 ILE 51 0.359 9.982 -1.368 424 HG13 ILE 51 HG13 ILE 51 0.345 9.151 0.187 425 HG21 ILE 51 HG21 ILE 51 2.781 7.520 -2.882 426 HG22 ILE 51 HG22 ILE 51 3.299 8.832 -1.822 427 HG23 ILE 51 HG23 ILE 51 2.090 9.158 -3.066 428 HD11 ILE 51 HD11 ILE 51 2.686 10.572 -1.062 429 HD12 ILE 51 HD12 ILE 51 2.712 9.729 0.488 430 HD13 ILE 51 HD13 ILE 51 1.698 11.160 0.273 431 H ASP 52 H ASP 52 0.249 7.366 -4.486 432 HA ASP 52 HA ASP 52 0.903 4.625 -4.845 433 HB2 ASP 52 HB2 ASP 52 0.647 5.233 -7.259 434 HB3 ASP 52 HB3 ASP 52 -0.761 5.599 -6.237 435 HA PRO 53 HA PRO 53 5.257 5.523 -5.349 436 HB2 PRO 53 HB2 PRO 53 6.026 3.255 -6.589 437 HB3 PRO 53 HB3 PRO 53 5.558 3.274 -4.882 438 HG2 PRO 53 HG2 PRO 53 3.909 2.563 -7.279 439 HG3 PRO 53 HG3 PRO 53 4.096 1.652 -5.768 440 HD2 PRO 53 HD2 PRO 53 1.970 3.221 -6.198 441 HD3 PRO 53 HD3 PRO 53 2.716 3.095 -4.590 442 H LYS 54 H LYS 54 2.978 5.508 -7.696 443 HA LYS 54 HA LYS 54 4.618 5.524 -10.072 444 HB2 LYS 54 HB2 LYS 54 1.756 6.349 -9.692 445 HB3 LYS 54 HB3 LYS 54 2.559 6.112 -11.239 446 HG2 LYS 54 HG2 LYS 54 2.879 3.740 -10.683 447 HG3 LYS 54 HG3 LYS 54 2.012 4.000 -9.169 448 HD2 LYS 54 HD2 LYS 54 0.912 4.454 -11.928 449 HD3 LYS 54 HD3 LYS 54 0.570 3.048 -10.919 450 HE2 LYS 54 HE2 LYS 54 -0.457 4.541 -9.235 451 HE3 LYS 54 HE3 LYS 54 -0.135 5.923 -10.276 452 HZ1 LYS 54 HZ1 LYS 54 -2.398 5.151 -10.488 453 HZ2 LYS 54 HZ2 LYS 54 -1.868 3.623 -10.937 454 HZ3 LYS 54 HZ3 LYS 54 -1.591 4.950 -11.947 455 H LEU 55 H LEU 55 3.446 7.747 -7.744 456 HA LEU 55 HA LEU 55 3.443 10.153 -9.111 457 HB2 LEU 55 HB2 LEU 55 3.945 9.307 -6.339 458 HB3 LEU 55 HB3 LEU 55 3.975 11.010 -6.678 459 HG LEU 55 HG LEU 55 1.614 9.108 -7.076 460 HD11 LEU 55 HD11 LEU 55 0.611 10.340 -5.258 461 HD12 LEU 55 HD12 LEU 55 2.182 11.137 -4.933 462 HD13 LEU 55 HD13 LEU 55 2.004 9.360 -4.887 463 HD21 LEU 55 HD21 LEU 55 1.586 10.961 -8.692 464 HD22 LEU 55 HD22 LEU 55 1.718 12.113 -7.355 465 HD23 LEU 55 HD23 LEU 55 0.298 11.070 -7.497 466 H LYS 56 H LYS 56 4.948 11.358 -9.919 467 HA LYS 56 HA LYS 56 7.588 10.522 -10.220 468 HB2 LYS 56 HB2 LYS 56 6.451 11.996 -11.812 469 HB3 LYS 56 HB3 LYS 56 6.441 13.283 -10.615 470 HG2 LYS 56 HG2 LYS 56 8.889 13.336 -10.648 471 HG3 LYS 56 HG3 LYS 56 8.891 12.038 -11.840 472 HD2 LYS 56 HD2 LYS 56 9.231 14.183 -12.931 473 HD3 LYS 56 HD3 LYS 56 7.677 13.501 -13.407 474 HE2 LYS 56 HE2 LYS 56 6.529 14.950 -11.854 475 HE3 LYS 56 HE3 LYS 56 8.065 15.599 -11.267 476 HZ1 LYS 56 HZ1 LYS 56 6.948 15.892 -14.008 477 HZ2 LYS 56 HZ2 LYS 56 8.448 16.481 -13.483 478 HZ3 LYS 56 HZ3 LYS 56 7.028 17.087 -12.817 479 H TRP 57 H TRP 57 6.163 12.813 -7.915 480 HA TRP 57 HA TRP 57 8.737 13.670 -6.992 481 HB2 TRP 57 HB2 TRP 57 7.613 14.917 -5.248 482 HB3 TRP 57 HB3 TRP 57 6.720 15.122 -6.740 483 HD1 TRP 57 HD1 TRP 57 4.197 14.166 -6.775 484 HE1 TRP 57 HE1 TRP 57 2.604 13.445 -4.850 485 HE3 TRP 57 HE3 TRP 57 7.574 13.698 -2.980 486 HZ2 TRP 57 HZ2 TRP 57 2.752 12.762 -2.175 487 HZ3 TRP 57 HZ3 TRP 57 6.783 13.016 -0.788 488 HH2 TRP 57 HH2 TRP 57 4.409 12.546 -0.374 489 H ILE 58 H ILE 58 6.950 10.894 -6.504 490 HA ILE 58 HA ILE 58 7.856 10.309 -3.896 491 HB ILE 58 HB ILE 58 6.382 8.769 -6.009 492 HG12 ILE 58 HG12 ILE 58 5.131 10.417 -4.772 493 HG13 ILE 58 HG13 ILE 58 4.583 8.790 -4.374 494 HG21 ILE 58 HG21 ILE 58 7.309 7.672 -3.385 495 HG22 ILE 58 HG22 ILE 58 7.715 7.084 -5.017 496 HG23 ILE 58 HG23 ILE 58 6.046 6.993 -4.442 497 HD11 ILE 58 HD11 ILE 58 4.670 10.171 -2.428 498 HD12 ILE 58 HD12 ILE 58 6.368 10.532 -2.678 499 HD13 ILE 58 HD13 ILE 58 5.863 8.876 -2.304 500 H GLN 59 H GLN 59 8.949 9.627 -7.148 501 HA GLN 59 HA GLN 59 10.973 7.825 -6.408 502 HB2 GLN 59 HB2 GLN 59 10.634 9.637 -8.759 503 HB3 GLN 59 HB3 GLN 59 12.161 8.798 -8.517 504 HG2 GLN 59 HG2 GLN 59 10.634 7.619 -10.043 505 HG3 GLN 59 HG3 GLN 59 11.084 6.659 -8.646 506 HE21 GLN 59 HE21 GLN 59 8.540 8.342 -10.264 507 HE22 GLN 59 HE22 GLN 59 7.253 7.677 -9.307 508 H GLU 60 H GLU 60 10.904 11.302 -6.650 509 HA GLU 60 HA GLU 60 13.490 11.951 -5.815 510 HB2 GLU 60 HB2 GLU 60 10.834 13.273 -5.339 511 HB3 GLU 60 HB3 GLU 60 12.345 13.960 -4.769 512 HG2 GLU 60 HG2 GLU 60 11.776 13.310 -7.638 513 HG3 GLU 60 HG3 GLU 60 11.520 14.903 -6.909 514 H TYR 61 H TYR 61 10.586 11.379 -3.980 515 HA TYR 61 HA TYR 61 11.639 11.746 -1.423 516 HB2 TYR 61 HB2 TYR 61 9.267 11.812 -1.684 517 HB3 TYR 61 HB3 TYR 61 9.243 10.207 -2.397 518 HD1 TYR 61 HD1 TYR 61 10.419 11.780 0.798 519 HD2 TYR 61 HD2 TYR 61 8.403 8.545 -1.083 520 HE1 TYR 61 HE1 TYR 61 9.987 10.777 3.002 521 HE2 TYR 61 HE2 TYR 61 7.968 7.524 1.102 522 HH TYR 61 HH TYR 61 8.873 7.577 3.318 523 H LEU 62 H LEU 62 11.238 8.773 -3.296 524 HA LEU 62 HA LEU 62 12.183 7.038 -1.290 525 HB2 LEU 62 HB2 LEU 62 12.207 6.722 -4.279 526 HB3 LEU 62 HB3 LEU 62 12.557 5.440 -3.134 527 HG LEU 62 HG LEU 62 9.932 6.893 -3.395 528 HD11 LEU 62 HD11 LEU 62 10.751 4.107 -4.189 529 HD12 LEU 62 HD12 LEU 62 10.374 5.448 -5.269 530 HD13 LEU 62 HD13 LEU 62 9.106 4.763 -4.255 531 HD21 LEU 62 HD21 LEU 62 9.121 5.181 -1.821 532 HD22 LEU 62 HD22 LEU 62 10.366 6.223 -1.122 533 HD23 LEU 62 HD23 LEU 62 10.784 4.597 -1.647 534 H GLU 63 H GLU 63 13.877 8.380 -4.081 535 HA GLU 63 HA GLU 63 16.391 7.177 -3.390 536 HB2 GLU 63 HB2 GLU 63 16.023 9.699 -4.999 537 HB3 GLU 63 HB3 GLU 63 17.390 8.600 -5.024 538 HG2 GLU 63 HG2 GLU 63 15.842 6.852 -5.936 539 HG3 GLU 63 HG3 GLU 63 14.629 8.131 -6.057 540 H LYS 64 H LYS 64 14.976 10.220 -2.511 541 HA LYS 64 HA LYS 64 17.443 10.961 -1.320 542 HB2 LYS 64 HB2 LYS 64 14.841 12.375 -1.527 543 HB3 LYS 64 HB3 LYS 64 16.281 13.048 -0.739 544 HG2 LYS 64 HG2 LYS 64 17.580 12.769 -2.754 545 HG3 LYS 64 HG3 LYS 64 16.204 12.025 -3.557 546 HD2 LYS 64 HD2 LYS 64 14.969 14.054 -3.310 547 HD3 LYS 64 HD3 LYS 64 16.383 14.719 -2.443 548 HE2 LYS 64 HE2 LYS 64 17.766 14.592 -4.389 549 HE3 LYS 64 HE3 LYS 64 16.540 13.700 -5.286 550 HZ1 LYS 64 HZ1 LYS 64 16.236 16.513 -4.391 551 HZ2 LYS 64 HZ2 LYS 64 15.240 15.661 -5.501 552 HZ3 LYS 64 HZ3 LYS 64 16.815 16.042 -5.894 553 H ALA 65 H ALA 65 14.440 9.522 -0.165 554 HA ALA 65 HA ALA 65 15.006 10.069 2.590 555 HB1 ALA 65 HB1 ALA 65 12.704 9.593 1.835 556 HB2 ALA 65 HB2 ALA 65 13.221 8.462 3.085 557 HB3 ALA 65 HB3 ALA 65 13.198 7.960 1.394 558 H LEU 66 H LEU 66 15.626 7.422 0.351 559 HA LEU 66 HA LEU 66 16.927 5.915 2.374 560 HB2 LEU 66 HB2 LEU 66 16.598 5.535 -0.562 561 HB3 LEU 66 HB3 LEU 66 17.704 4.535 0.356 562 HG LEU 66 HG LEU 66 15.677 3.396 0.049 563 HD11 LEU 66 HD11 LEU 66 15.036 2.849 2.348 564 HD12 LEU 66 HD12 LEU 66 15.895 4.272 2.914 565 HD13 LEU 66 HD13 LEU 66 16.780 2.960 2.131 566 HD21 LEU 66 HD21 LEU 66 14.245 5.673 1.406 567 HD22 LEU 66 HD22 LEU 66 13.504 4.128 0.984 568 HD23 LEU 66 HD23 LEU 66 14.094 5.203 -0.286 569 H ASN 67 H ASN 67 17.907 8.241 -0.043 570 HA ASN 67 HA ASN 67 20.693 7.828 0.019 571 HB2 ASN 67 HB2 ASN 67 19.488 9.483 -1.492 572 HB3 ASN 67 HB3 ASN 67 19.347 10.528 -0.090 573 HD21 ASN 67 HD21 ASN 67 21.522 9.134 -2.386 574 HD22 ASN 67 HD22 ASN 67 22.858 10.167 -2.077 575 H LYS 68 H LYS 68 18.663 9.911 2.083 576 HA LYS 68 HA LYS 68 20.816 9.864 4.037 577 HB2 LYS 68 HB2 LYS 68 20.751 12.040 2.935 578 HB3 LYS 68 HB3 LYS 68 19.060 12.217 3.367 579 HG2 LYS 68 HG2 LYS 68 19.612 12.249 5.728 580 HG3 LYS 68 HG3 LYS 68 21.312 11.968 5.355 581 HD2 LYS 68 HD2 LYS 68 19.706 14.366 4.493 582 HD3 LYS 68 HD3 LYS 68 20.826 14.326 5.860 583 HE2 LYS 68 HE2 LYS 68 22.664 13.790 4.327 584 HE3 LYS 68 HE3 LYS 68 21.543 13.828 2.970 585 HZ1 LYS 68 HZ1 LYS 68 22.249 16.102 4.723 586 HZ2 LYS 68 HZ2 LYS 68 21.130 16.159 3.454 587 HZ3 LYS 68 HZ3 LYS 68 22.759 15.867 3.130 Start of MODEL 4 1 H LYS 1 H LYS 1 -24.191 -7.375 -0.723 2 HA LYS 1 HA LYS 1 -23.053 -6.608 1.156 3 HB2 LYS 1 HB2 LYS 1 -24.089 -7.923 2.888 4 HB3 LYS 1 HB3 LYS 1 -23.506 -9.413 2.186 5 HG2 LYS 1 HG2 LYS 1 -22.204 -9.062 4.133 6 HG3 LYS 1 HG3 LYS 1 -21.160 -8.645 2.791 7 HD2 LYS 1 HD2 LYS 1 -22.650 -6.631 4.516 8 HD3 LYS 1 HD3 LYS 1 -20.997 -7.134 4.780 9 HE2 LYS 1 HE2 LYS 1 -20.353 -6.189 2.595 10 HE3 LYS 1 HE3 LYS 1 -22.017 -5.712 2.314 11 HZ1 LYS 1 HZ1 LYS 1 -21.919 -4.226 4.164 12 HZ2 LYS 1 HZ2 LYS 1 -20.658 -3.904 3.092 13 HZ3 LYS 1 HZ3 LYS 1 -20.344 -4.718 4.532 14 HA PRO 2 HA PRO 2 -19.855 -8.487 -1.542 15 HB2 PRO 2 HB2 PRO 2 -18.605 -5.852 -1.115 16 HB3 PRO 2 HB3 PRO 2 -19.000 -6.639 -2.642 17 HG2 PRO 2 HG2 PRO 2 -20.366 -4.508 -1.817 18 HG3 PRO 2 HG3 PRO 2 -21.179 -5.855 -2.630 19 HD2 PRO 2 HD2 PRO 2 -21.027 -5.250 0.304 20 HD3 PRO 2 HD3 PRO 2 -22.433 -5.710 -0.686 21 H VAL 3 H VAL 3 -17.926 -9.364 -0.794 22 HA VAL 3 HA VAL 3 -17.245 -8.663 1.960 23 HB VAL 3 HB VAL 3 -16.088 -10.833 2.121 24 HG11 VAL 3 HG11 VAL 3 -18.908 -11.085 1.095 25 HG12 VAL 3 HG12 VAL 3 -18.430 -10.738 2.755 26 HG13 VAL 3 HG13 VAL 3 -18.047 -12.303 2.034 27 HG21 VAL 3 HG21 VAL 3 -17.093 -11.311 -0.684 28 HG22 VAL 3 HG22 VAL 3 -16.292 -12.504 0.340 29 HG23 VAL 3 HG23 VAL 3 -15.408 -11.082 -0.214 30 H SER 4 H SER 4 -14.971 -8.563 2.537 31 HA SER 4 HA SER 4 -13.447 -7.387 0.343 32 HB2 SER 4 HB2 SER 4 -13.068 -7.143 3.339 33 HB3 SER 4 HB3 SER 4 -12.185 -6.244 2.104 34 HG SER 4 HG SER 4 -14.206 -5.376 1.439 35 H LEU 5 H LEU 5 -12.111 -8.849 -0.570 36 HA LEU 5 HA LEU 5 -10.921 -10.903 1.143 37 HB2 LEU 5 HB2 LEU 5 -11.132 -10.767 -1.862 38 HB3 LEU 5 HB3 LEU 5 -10.466 -12.092 -0.941 39 HG LEU 5 HG LEU 5 -13.352 -11.216 -0.923 40 HD11 LEU 5 HD11 LEU 5 -13.753 -13.324 -2.079 41 HD12 LEU 5 HD12 LEU 5 -12.013 -13.622 -2.141 42 HD13 LEU 5 HD13 LEU 5 -12.708 -12.256 -3.015 43 HD21 LEU 5 HD21 LEU 5 -12.692 -12.148 1.230 44 HD22 LEU 5 HD22 LEU 5 -11.995 -13.557 0.422 45 HD23 LEU 5 HD23 LEU 5 -13.735 -13.272 0.364 46 H SER 6 H SER 6 -8.748 -11.227 1.127 47 HA SER 6 HA SER 6 -6.561 -10.962 0.843 48 HB2 SER 6 HB2 SER 6 -7.288 -9.493 -1.684 49 HB3 SER 6 HB3 SER 6 -5.690 -10.115 -1.272 50 HG SER 6 HG SER 6 -7.856 -11.392 -2.270 51 H TYR 7 H TYR 7 -5.880 -9.801 2.519 52 HA TYR 7 HA TYR 7 -5.098 -7.106 1.820 53 HB2 TYR 7 HB2 TYR 7 -6.952 -6.866 3.495 54 HB3 TYR 7 HB3 TYR 7 -6.026 -7.859 4.616 55 HD1 TYR 7 HD1 TYR 7 -6.240 -4.567 2.998 56 HD2 TYR 7 HD2 TYR 7 -4.041 -6.942 5.761 57 HE1 TYR 7 HE1 TYR 7 -5.055 -2.555 3.798 58 HE2 TYR 7 HE2 TYR 7 -2.852 -4.922 6.546 59 HH TYR 7 HH TYR 7 -3.878 -1.796 5.732 60 H ARG 8 H ARG 8 -3.225 -7.845 1.257 61 HA ARG 8 HA ARG 8 -1.499 -8.959 3.375 62 HB2 ARG 8 HB2 ARG 8 -1.247 -9.225 0.374 63 HB3 ARG 8 HB3 ARG 8 -0.098 -9.847 1.545 64 HG2 ARG 8 HG2 ARG 8 -1.793 -11.370 2.412 65 HG3 ARG 8 HG3 ARG 8 -2.969 -10.710 1.276 66 HD2 ARG 8 HD2 ARG 8 -1.601 -11.445 -0.593 67 HD3 ARG 8 HD3 ARG 8 -0.390 -12.067 0.525 68 HE ARG 8 HE ARG 8 -2.552 -13.369 1.306 69 HH11 ARG 8 HH11 ARG 8 -1.212 -12.838 -1.936 70 HH12 ARG 8 HH12 ARG 8 -1.745 -14.312 -2.568 71 HH21 ARG 8 HH21 ARG 8 -3.276 -15.459 0.427 72 HH22 ARG 8 HH22 ARG 8 -2.964 -15.840 -1.201 73 H CYS 9 H CYS 9 -1.855 -6.794 0.665 74 HA CYS 9 HA CYS 9 0.632 -5.458 1.191 75 HB2 CYS 9 HB2 CYS 9 -1.495 -4.400 -0.653 76 HB3 CYS 9 HB3 CYS 9 0.233 -4.388 -0.804 77 HA PRO 10 HA PRO 10 -1.183 -2.654 4.215 78 HB2 PRO 10 HB2 PRO 10 0.392 -0.563 2.801 79 HB3 PRO 10 HB3 PRO 10 0.344 -0.966 4.523 80 HG2 PRO 10 HG2 PRO 10 2.410 -1.724 3.092 81 HG3 PRO 10 HG3 PRO 10 1.639 -2.852 4.253 82 HD2 PRO 10 HD2 PRO 10 1.396 -2.756 1.268 83 HD3 PRO 10 HD3 PRO 10 1.627 -4.149 2.347 84 H CYS 11 H CYS 11 -1.300 -1.899 0.819 85 HA CYS 11 HA CYS 11 -3.962 -0.928 1.122 86 HB2 CYS 11 HB2 CYS 11 -2.413 1.019 1.740 87 HB3 CYS 11 HB3 CYS 11 -1.989 1.054 0.034 88 H ARG 12 H ARG 12 -4.999 -0.705 -0.889 89 HA ARG 12 HA ARG 12 -3.497 -1.796 -3.160 90 HB2 ARG 12 HB2 ARG 12 -5.200 -3.361 -2.367 91 HB3 ARG 12 HB3 ARG 12 -6.431 -2.114 -2.473 92 HG2 ARG 12 HG2 ARG 12 -6.609 -3.661 -4.335 93 HG3 ARG 12 HG3 ARG 12 -6.157 -2.057 -4.908 94 HD2 ARG 12 HD2 ARG 12 -4.865 -3.747 -6.063 95 HD3 ARG 12 HD3 ARG 12 -3.802 -2.792 -5.036 96 HE ARG 12 HE ARG 12 -4.767 -5.155 -3.748 97 HH11 ARG 12 HH11 ARG 12 -2.248 -3.901 -5.900 98 HH12 ARG 12 HH12 ARG 12 -1.197 -5.200 -5.660 99 HH21 ARG 12 HH21 ARG 12 -3.299 -6.951 -3.405 100 HH22 ARG 12 HH22 ARG 12 -1.787 -6.971 -4.195 101 H PHE 13 H PHE 13 -6.181 0.382 -2.257 102 HA PHE 13 HA PHE 13 -6.044 1.636 -4.884 103 HB2 PHE 13 HB2 PHE 13 -7.816 2.271 -2.538 104 HB3 PHE 13 HB3 PHE 13 -7.964 2.963 -4.135 105 HD1 PHE 13 HD1 PHE 13 -8.755 1.600 -6.031 106 HD2 PHE 13 HD2 PHE 13 -8.701 0.067 -2.061 107 HE1 PHE 13 HE1 PHE 13 -10.283 -0.210 -6.707 108 HE2 PHE 13 HE2 PHE 13 -10.222 -1.740 -2.731 109 HZ PHE 13 HZ PHE 13 -11.017 -1.882 -5.056 110 H PHE 14 H PHE 14 -4.962 3.391 -5.230 111 HA PHE 14 HA PHE 14 -3.870 4.857 -2.930 112 HB2 PHE 14 HB2 PHE 14 -2.826 4.807 -5.762 113 HB3 PHE 14 HB3 PHE 14 -2.095 5.639 -4.402 114 HD1 PHE 14 HD1 PHE 14 -1.552 4.048 -2.339 115 HD2 PHE 14 HD2 PHE 14 -1.993 2.784 -6.362 116 HE1 PHE 14 HE1 PHE 14 -0.217 2.049 -1.849 117 HE2 PHE 14 HE2 PHE 14 -0.676 0.805 -5.909 118 HZ PHE 14 HZ PHE 14 0.233 0.408 -3.630 119 H GLU 15 H GLU 15 -3.969 7.098 -2.871 120 HA GLU 15 HA GLU 15 -6.216 8.307 -4.097 121 HB2 GLU 15 HB2 GLU 15 -4.937 8.683 -1.845 122 HB3 GLU 15 HB3 GLU 15 -3.881 9.688 -2.809 123 HG2 GLU 15 HG2 GLU 15 -6.819 10.084 -2.347 124 HG3 GLU 15 HG3 GLU 15 -5.488 10.961 -1.601 125 H SER 16 H SER 16 -2.737 8.935 -4.205 126 HA SER 16 HA SER 16 -1.218 9.384 -5.781 127 HB2 SER 16 HB2 SER 16 -2.126 7.432 -6.955 128 HB3 SER 16 HB3 SER 16 -3.319 8.456 -7.748 129 HG SER 16 HG SER 16 -1.500 9.621 -8.603 130 H HIS 17 H HIS 17 -3.691 11.434 -5.260 131 HA HIS 17 HA HIS 17 -2.685 13.379 -7.267 132 HB2 HIS 17 HB2 HIS 17 -5.181 12.536 -7.333 133 HB3 HIS 17 HB3 HIS 17 -5.347 13.502 -5.867 134 HD1 HIS 17 HD1 HIS 17 -4.589 16.074 -6.177 135 HD2 HIS 17 HD2 HIS 17 -5.359 13.945 -9.636 136 HE1 HIS 17 HE1 HIS 17 -4.757 17.774 -7.951 137 HE2 HIS 17 HE2 HIS 17 -5.051 16.450 -10.094 138 H VAL 18 H VAL 18 -1.698 12.444 -4.713 139 HA VAL 18 HA VAL 18 -2.196 14.647 -2.884 140 HB VAL 18 HB VAL 18 -0.419 12.216 -2.531 141 HG11 VAL 18 HG11 VAL 18 -0.543 12.734 -0.147 142 HG12 VAL 18 HG12 VAL 18 -1.479 14.180 -0.518 143 HG13 VAL 18 HG13 VAL 18 0.189 14.041 -1.073 144 HG21 VAL 18 HG21 VAL 18 -2.732 11.520 -2.818 145 HG22 VAL 18 HG22 VAL 18 -3.246 12.646 -1.566 146 HG23 VAL 18 HG23 VAL 18 -2.215 11.278 -1.151 147 H ALA 19 H ALA 19 -0.737 16.231 -2.573 148 HA ALA 19 HA ALA 19 1.760 16.141 -4.113 149 HB1 ALA 19 HB1 ALA 19 0.238 17.976 -4.673 150 HB2 ALA 19 HB2 ALA 19 1.739 18.579 -3.967 151 HB3 ALA 19 HB3 ALA 19 0.269 18.509 -2.994 152 H ARG 20 H ARG 20 3.650 17.038 -3.160 153 HA ARG 20 HA ARG 20 4.482 15.969 -0.774 154 HB2 ARG 20 HB2 ARG 20 5.952 16.744 -2.546 155 HB3 ARG 20 HB3 ARG 20 5.491 18.401 -2.239 156 HG2 ARG 20 HG2 ARG 20 7.716 17.908 -1.392 157 HG3 ARG 20 HG3 ARG 20 6.624 18.308 -0.061 158 HD2 ARG 20 HD2 ARG 20 6.456 15.988 0.524 159 HD3 ARG 20 HD3 ARG 20 7.335 15.538 -0.938 160 HE ARG 20 HE ARG 20 9.220 16.910 0.080 161 HH11 ARG 20 HH11 ARG 20 6.964 15.140 2.177 162 HH12 ARG 20 HH12 ARG 20 8.162 14.764 3.332 163 HH21 ARG 20 HH21 ARG 20 10.824 16.371 1.713 164 HH22 ARG 20 HH22 ARG 20 10.351 15.463 3.075 165 H ALA 21 H ALA 21 3.093 19.188 -1.285 166 HA ALA 21 HA ALA 21 3.741 20.080 1.360 167 HB1 ALA 21 HB1 ALA 21 1.894 21.288 -0.638 168 HB2 ALA 21 HB2 ALA 21 3.640 21.590 -0.553 169 HB3 ALA 21 HB3 ALA 21 2.581 22.081 0.784 170 H ASN 22 H ASN 22 1.146 18.235 0.092 171 HA ASN 22 HA ASN 22 -0.658 19.129 2.224 172 HB2 ASN 22 HB2 ASN 22 -1.607 18.995 -0.061 173 HB3 ASN 22 HB3 ASN 22 -1.164 17.299 -0.153 174 HD21 ASN 22 HD21 ASN 22 -3.300 16.789 -0.594 175 HD22 ASN 22 HD22 ASN 22 -4.554 16.762 0.579 176 H VAL 23 H VAL 23 1.786 17.213 2.078 177 HA VAL 23 HA VAL 23 0.473 14.999 3.468 178 HB VAL 23 HB VAL 23 3.326 15.019 2.469 179 HG11 VAL 23 HG11 VAL 23 1.695 12.946 3.803 180 HG12 VAL 23 HG12 VAL 23 3.236 13.637 4.326 181 HG13 VAL 23 HG13 VAL 23 3.150 12.613 2.885 182 HG21 VAL 23 HG21 VAL 23 0.887 13.637 1.383 183 HG22 VAL 23 HG22 VAL 23 2.534 13.432 0.796 184 HG23 VAL 23 HG23 VAL 23 1.730 14.987 0.624 185 H LYS 24 H LYS 24 0.374 14.989 5.469 186 HA LYS 24 HA LYS 24 1.819 16.647 7.305 187 HB2 LYS 24 HB2 LYS 24 -0.620 15.761 7.383 188 HB3 LYS 24 HB3 LYS 24 0.096 14.253 7.916 189 HG2 LYS 24 HG2 LYS 24 -0.418 15.224 9.913 190 HG3 LYS 24 HG3 LYS 24 1.253 15.782 9.694 191 HD2 LYS 24 HD2 LYS 24 0.182 17.822 10.172 192 HD3 LYS 24 HD3 LYS 24 0.102 17.656 8.397 193 HE2 LYS 24 HE2 LYS 24 -2.087 18.353 9.196 194 HE3 LYS 24 HE3 LYS 24 -2.109 16.724 8.518 195 HZ1 LYS 24 HZ1 LYS 24 -2.085 17.365 11.428 196 HZ2 LYS 24 HZ2 LYS 24 -2.122 15.815 10.799 197 HZ3 LYS 24 HZ3 LYS 24 -3.407 16.855 10.575 198 H HIS 25 H HIS 25 1.568 13.236 6.470 199 HA HIS 25 HA HIS 25 3.957 12.479 8.036 200 HB2 HIS 25 HB2 HIS 25 2.186 11.974 9.536 201 HB3 HIS 25 HB3 HIS 25 1.146 11.408 8.248 202 HD1 HIS 25 HD1 HIS 25 3.662 10.255 10.711 203 HD2 HIS 25 HD2 HIS 25 1.717 8.779 7.356 204 HE1 HIS 25 HE1 HIS 25 3.965 7.785 10.810 205 HE2 HIS 25 HE2 HIS 25 2.389 6.943 9.047 206 H LEU 26 H LEU 26 5.211 10.955 7.036 207 HA LEU 26 HA LEU 26 4.110 9.511 4.741 208 HB2 LEU 26 HB2 LEU 26 6.730 10.967 4.927 209 HB3 LEU 26 HB3 LEU 26 6.496 9.652 3.796 210 HG LEU 26 HG LEU 26 4.761 12.111 3.816 211 HD11 LEU 26 HD11 LEU 26 7.164 11.457 2.121 212 HD12 LEU 26 HD12 LEU 26 7.093 12.725 3.351 213 HD13 LEU 26 HD13 LEU 26 6.084 12.838 1.904 214 HD21 LEU 26 HD21 LEU 26 5.257 9.955 1.776 215 HD22 LEU 26 HD22 LEU 26 4.207 11.343 1.559 216 HD23 LEU 26 HD23 LEU 26 3.801 10.116 2.763 217 H LYS 27 H LYS 27 4.038 7.480 5.200 218 HA LYS 27 HA LYS 27 6.221 6.243 6.683 219 HB2 LYS 27 HB2 LYS 27 3.988 6.251 7.829 220 HB3 LYS 27 HB3 LYS 27 3.327 5.442 6.450 221 HG2 LYS 27 HG2 LYS 27 3.640 3.889 8.289 222 HG3 LYS 27 HG3 LYS 27 4.654 3.446 6.922 223 HD2 LYS 27 HD2 LYS 27 5.747 5.202 9.018 224 HD3 LYS 27 HD3 LYS 27 5.588 3.470 9.407 225 HE2 LYS 27 HE2 LYS 27 7.016 2.961 7.481 226 HE3 LYS 27 HE3 LYS 27 7.123 4.655 7.058 227 HZ1 LYS 27 HZ1 LYS 27 9.087 3.973 8.220 228 HZ2 LYS 27 HZ2 LYS 27 8.204 3.370 9.517 229 HZ3 LYS 27 HZ3 LYS 27 8.239 5.037 9.200 230 H ILE 28 H ILE 28 7.435 5.077 5.174 231 HA ILE 28 HA ILE 28 6.096 4.216 2.728 232 HB ILE 28 HB ILE 28 9.051 4.015 3.384 233 HG12 ILE 28 HG12 ILE 28 7.508 6.194 2.041 234 HG13 ILE 28 HG13 ILE 28 8.427 6.343 3.550 235 HG21 ILE 28 HG21 ILE 28 7.989 2.702 1.388 236 HG22 ILE 28 HG22 ILE 28 9.358 3.787 1.099 237 HG23 ILE 28 HG23 ILE 28 7.748 4.363 0.743 238 HD11 ILE 28 HD11 ILE 28 10.454 5.706 2.137 239 HD12 ILE 28 HD12 ILE 28 9.693 7.297 1.793 240 HD13 ILE 28 HD13 ILE 28 9.296 5.925 0.787 241 H LEU 29 H LEU 29 5.385 2.142 2.587 242 HA LEU 29 HA LEU 29 6.749 0.185 4.278 243 HB2 LEU 29 HB2 LEU 29 3.880 0.215 3.339 244 HB3 LEU 29 HB3 LEU 29 4.626 -1.063 4.277 245 HG LEU 29 HG LEU 29 4.184 1.776 5.221 246 HD11 LEU 29 HD11 LEU 29 2.108 0.552 5.041 247 HD12 LEU 29 HD12 LEU 29 2.541 0.787 6.734 248 HD13 LEU 29 HD13 LEU 29 2.792 -0.784 5.965 249 HD21 LEU 29 HD21 LEU 29 4.874 0.924 7.415 250 HD22 LEU 29 HD22 LEU 29 6.174 0.805 6.232 251 HD23 LEU 29 HD23 LEU 29 5.262 -0.636 6.684 252 H ASN 30 H ASN 30 8.004 -1.076 3.120 253 HA ASN 30 HA ASN 30 7.305 -1.636 0.351 254 HB2 ASN 30 HB2 ASN 30 9.618 -0.972 0.642 255 HB3 ASN 30 HB3 ASN 30 9.862 -2.179 1.895 256 HD21 ASN 30 HD21 ASN 30 10.220 -4.321 1.306 257 HD22 ASN 30 HD22 ASN 30 10.502 -4.780 -0.331 258 H THR 31 H THR 31 6.227 -3.317 -0.120 259 HA THR 31 HA THR 31 6.245 -5.545 1.762 260 HB THR 31 HB THR 31 4.274 -4.849 -0.359 261 HG1 THR 31 HG1 THR 31 4.742 -3.793 2.112 262 HG21 THR 31 HG21 THR 31 4.085 -6.640 2.065 263 HG22 THR 31 HG22 THR 31 4.173 -7.157 0.380 264 HG23 THR 31 HG23 THR 31 2.748 -6.299 0.963 265 HA PRO 32 HA PRO 32 8.911 -7.316 -1.468 266 HB2 PRO 32 HB2 PRO 32 7.993 -9.762 -0.016 267 HB3 PRO 32 HB3 PRO 32 9.625 -9.299 -0.515 268 HG2 PRO 32 HG2 PRO 32 8.881 -9.021 2.017 269 HG3 PRO 32 HG3 PRO 32 9.873 -7.783 1.231 270 HD2 PRO 32 HD2 PRO 32 6.954 -7.702 1.904 271 HD3 PRO 32 HD3 PRO 32 8.136 -6.390 1.885 272 H ASN 33 H ASN 33 5.722 -8.636 -0.703 273 HA ASN 33 HA ASN 33 5.586 -9.811 -3.378 274 HB2 ASN 33 HB2 ASN 33 3.847 -10.210 -0.952 275 HB3 ASN 33 HB3 ASN 33 3.488 -10.901 -2.526 276 HD21 ASN 33 HD21 ASN 33 5.569 -11.023 0.249 277 HD22 ASN 33 HD22 ASN 33 6.333 -12.511 -0.125 278 H CYS 34 H CYS 34 4.976 -6.826 -2.330 279 HA CYS 34 HA CYS 34 2.682 -6.529 -4.152 280 HB2 CYS 34 HB2 CYS 34 2.725 -5.338 -1.377 281 HB3 CYS 34 HB3 CYS 34 1.516 -5.053 -2.611 282 H ALA 35 H ALA 35 5.744 -5.605 -3.675 283 HA ALA 35 HA ALA 35 7.029 -3.847 -4.280 284 HB1 ALA 35 HB1 ALA 35 6.106 -2.173 -5.839 285 HB2 ALA 35 HB2 ALA 35 4.490 -2.755 -5.434 286 HB3 ALA 35 HB3 ALA 35 5.608 -3.811 -6.318 287 H LEU 36 H LEU 36 6.162 -1.046 -4.434 288 HA LEU 36 HA LEU 36 6.213 -0.535 -1.611 289 HB2 LEU 36 HB2 LEU 36 6.733 1.155 -3.986 290 HB3 LEU 36 HB3 LEU 36 6.322 1.923 -2.473 291 HG LEU 36 HG LEU 36 8.694 1.881 -2.820 292 HD11 LEU 36 HD11 LEU 36 7.864 0.054 -0.591 293 HD12 LEU 36 HD12 LEU 36 7.890 1.819 -0.564 294 HD13 LEU 36 HD13 LEU 36 9.396 0.915 -0.714 295 HD21 LEU 36 HD21 LEU 36 8.437 -1.096 -2.766 296 HD22 LEU 36 HD22 LEU 36 9.961 -0.219 -2.771 297 HD23 LEU 36 HD23 LEU 36 8.894 -0.139 -4.188 298 H GLN 37 H GLN 37 4.962 0.485 -0.477 299 HA GLN 37 HA GLN 37 2.490 1.688 -1.464 300 HB2 GLN 37 HB2 GLN 37 2.704 -0.319 0.799 301 HB3 GLN 37 HB3 GLN 37 1.435 0.880 0.782 302 HG2 GLN 37 HG2 GLN 37 0.525 -1.166 -0.018 303 HG3 GLN 37 HG3 GLN 37 0.654 -0.056 -1.366 304 HE21 GLN 37 HE21 GLN 37 3.357 -1.920 -0.109 305 HE22 GLN 37 HE22 GLN 37 3.516 -2.901 -1.504 306 H ILE 38 H ILE 38 2.976 3.787 -1.051 307 HA ILE 38 HA ILE 38 4.323 4.340 1.472 308 HB ILE 38 HB ILE 38 3.796 6.246 -0.846 309 HG12 ILE 38 HG12 ILE 38 6.168 4.606 -0.042 310 HG13 ILE 38 HG13 ILE 38 5.273 4.490 -1.543 311 HG21 ILE 38 HG21 ILE 38 5.455 7.675 0.303 312 HG22 ILE 38 HG22 ILE 38 5.575 6.475 1.587 313 HG23 ILE 38 HG23 ILE 38 4.068 7.368 1.354 314 HD11 ILE 38 HD11 ILE 38 6.069 6.808 -2.081 315 HD12 ILE 38 HD12 ILE 38 7.323 5.570 -2.025 316 HD13 ILE 38 HD13 ILE 38 7.132 6.693 -0.674 317 H VAL 39 H VAL 39 3.326 5.398 3.057 318 HA VAL 39 HA VAL 39 0.466 5.966 2.630 319 HB VAL 39 HB VAL 39 1.893 5.167 5.184 320 HG11 VAL 39 HG11 VAL 39 0.014 6.592 5.665 321 HG12 VAL 39 HG12 VAL 39 -0.327 4.940 6.168 322 HG13 VAL 39 HG13 VAL 39 -1.046 5.572 4.684 323 HG21 VAL 39 HG21 VAL 39 0.665 3.047 5.006 324 HG22 VAL 39 HG22 VAL 39 1.762 3.298 3.644 325 HG23 VAL 39 HG23 VAL 39 0.027 3.560 3.442 326 H ALA 40 H ALA 40 -0.216 7.963 2.958 327 HA ALA 40 HA ALA 40 1.569 9.837 4.358 328 HB1 ALA 40 HB1 ALA 40 1.030 11.531 2.756 329 HB2 ALA 40 HB2 ALA 40 -0.053 10.398 1.933 330 HB3 ALA 40 HB3 ALA 40 1.710 10.120 1.957 331 H ARG 41 H ARG 41 0.528 11.403 5.519 332 HA ARG 41 HA ARG 41 -2.352 11.108 5.554 333 HB2 ARG 41 HB2 ARG 41 -1.221 10.597 7.704 334 HB3 ARG 41 HB3 ARG 41 -0.625 12.258 7.706 335 HG2 ARG 41 HG2 ARG 41 -2.770 13.147 7.917 336 HG3 ARG 41 HG3 ARG 41 -3.524 11.585 7.593 337 HD2 ARG 41 HD2 ARG 41 -2.558 10.690 9.502 338 HD3 ARG 41 HD3 ARG 41 -1.759 12.234 9.887 339 HE ARG 41 HE ARG 41 -4.577 12.564 9.552 340 HH11 ARG 41 HH11 ARG 41 -2.288 11.440 11.993 341 HH12 ARG 41 HH12 ARG 41 -3.328 11.809 13.287 342 HH21 ARG 41 HH21 ARG 41 -5.938 13.056 11.261 343 HH22 ARG 41 HH22 ARG 41 -5.443 12.769 12.867 344 H LEU 42 H LEU 42 -3.603 12.714 5.203 345 HA LEU 42 HA LEU 42 -2.427 14.886 3.716 346 HB2 LEU 42 HB2 LEU 42 -5.305 14.192 4.320 347 HB3 LEU 42 HB3 LEU 42 -4.809 15.472 3.226 348 HG LEU 42 HG LEU 42 -4.355 12.514 2.898 349 HD11 LEU 42 HD11 LEU 42 -6.608 13.201 2.446 350 HD12 LEU 42 HD12 LEU 42 -5.779 12.796 0.940 351 HD13 LEU 42 HD13 LEU 42 -6.019 14.490 1.392 352 HD21 LEU 42 HD21 LEU 42 -3.420 13.093 0.714 353 HD22 LEU 42 HD22 LEU 42 -2.436 13.708 2.044 354 HD23 LEU 42 HD23 LEU 42 -3.495 14.802 1.148 355 H LYS 43 H LYS 43 -2.369 17.013 4.232 356 HA LYS 43 HA LYS 43 -2.856 17.764 6.980 357 HB2 LYS 43 HB2 LYS 43 -2.040 19.495 4.651 358 HB3 LYS 43 HB3 LYS 43 -1.992 19.922 6.354 359 HG2 LYS 43 HG2 LYS 43 -0.326 18.089 6.672 360 HG3 LYS 43 HG3 LYS 43 -0.309 17.880 4.930 361 HD2 LYS 43 HD2 LYS 43 1.558 19.285 5.624 362 HD3 LYS 43 HD3 LYS 43 0.416 20.219 4.656 363 HE2 LYS 43 HE2 LYS 43 -0.542 21.187 6.676 364 HE3 LYS 43 HE3 LYS 43 0.525 20.197 7.672 365 HZ1 LYS 43 HZ1 LYS 43 2.403 21.377 6.715 366 HZ2 LYS 43 HZ2 LYS 43 1.338 22.420 7.485 367 HZ3 LYS 43 HZ3 LYS 43 1.360 22.347 5.802 368 H ASN 44 H ASN 44 -4.211 18.448 3.802 369 HA ASN 44 HA ASN 44 -6.052 20.398 4.788 370 HB2 ASN 44 HB2 ASN 44 -5.893 19.010 2.098 371 HB3 ASN 44 HB3 ASN 44 -7.032 20.296 2.475 372 HD21 ASN 44 HD21 ASN 44 -6.151 21.618 0.846 373 HD22 ASN 44 HD22 ASN 44 -4.625 22.392 1.033 374 H ASN 45 H ASN 45 -6.197 17.017 4.150 375 HA ASN 45 HA ASN 45 -9.082 16.990 4.785 376 HB2 ASN 45 HB2 ASN 45 -7.313 14.729 3.825 377 HB3 ASN 45 HB3 ASN 45 -9.034 14.588 4.158 378 HD21 ASN 45 HD21 ASN 45 -9.446 13.924 2.082 379 HD22 ASN 45 HD22 ASN 45 -9.395 14.993 0.730 380 H ASN 46 H ASN 46 -6.019 16.322 6.051 381 HA ASN 46 HA ASN 46 -5.166 15.604 7.959 382 HB2 ASN 46 HB2 ASN 46 -6.937 17.133 8.959 383 HB3 ASN 46 HB3 ASN 46 -7.945 15.705 9.171 384 HD21 ASN 46 HD21 ASN 46 -7.958 15.797 11.409 385 HD22 ASN 46 HD22 ASN 46 -6.551 15.484 12.364 386 H ARG 47 H ARG 47 -6.698 13.691 6.024 387 HA ARG 47 HA ARG 47 -6.914 11.465 7.892 388 HB2 ARG 47 HB2 ARG 47 -8.284 10.338 6.275 389 HB3 ARG 47 HB3 ARG 47 -8.894 11.966 6.601 390 HG2 ARG 47 HG2 ARG 47 -7.917 12.728 4.558 391 HG3 ARG 47 HG3 ARG 47 -7.340 11.089 4.219 392 HD2 ARG 47 HD2 ARG 47 -9.673 10.261 4.275 393 HD3 ARG 47 HD3 ARG 47 -10.224 11.907 4.582 394 HE ARG 47 HE ARG 47 -8.714 11.538 2.146 395 HH11 ARG 47 HH11 ARG 47 -11.960 11.623 3.613 396 HH12 ARG 47 HH12 ARG 47 -12.762 11.862 2.137 397 HH21 ARG 47 HH21 ARG 47 -9.851 11.877 0.118 398 HH22 ARG 47 HH22 ARG 47 -11.551 12.031 0.119 399 H GLN 48 H GLN 48 -5.935 9.442 7.420 400 HA GLN 48 HA GLN 48 -3.488 9.818 6.011 401 HB2 GLN 48 HB2 GLN 48 -3.612 8.935 8.327 402 HB3 GLN 48 HB3 GLN 48 -4.440 7.509 7.707 403 HG2 GLN 48 HG2 GLN 48 -2.555 6.970 6.394 404 HG3 GLN 48 HG3 GLN 48 -1.751 8.457 6.896 405 HE21 GLN 48 HE21 GLN 48 -2.710 5.257 7.890 406 HE22 GLN 48 HE22 GLN 48 -1.738 5.198 9.314 407 H VAL 49 H VAL 49 -3.062 8.998 4.095 408 HA VAL 49 HA VAL 49 -5.063 7.242 2.849 409 HB VAL 49 HB VAL 49 -5.114 9.760 2.328 410 HG11 VAL 49 HG11 VAL 49 -3.725 10.583 0.537 411 HG12 VAL 49 HG12 VAL 49 -2.717 9.150 0.709 412 HG13 VAL 49 HG13 VAL 49 -2.872 10.283 2.055 413 HG21 VAL 49 HG21 VAL 49 -5.017 7.827 0.012 414 HG22 VAL 49 HG22 VAL 49 -5.810 9.403 0.016 415 HG23 VAL 49 HG23 VAL 49 -6.394 8.115 1.064 416 H CYS 50 H CYS 50 -4.083 6.626 0.615 417 HA CYS 50 HA CYS 50 -1.392 5.533 1.093 418 HB2 CYS 50 HB2 CYS 50 -3.478 4.579 -0.844 419 HB3 CYS 50 HB3 CYS 50 -2.004 3.753 -0.353 420 H ILE 51 H ILE 51 0.204 5.933 -0.365 421 HA ILE 51 HA ILE 51 -0.423 7.581 -2.685 422 HB ILE 51 HB ILE 51 2.037 7.398 -0.964 423 HG12 ILE 51 HG12 ILE 51 0.086 9.623 -1.528 424 HG13 ILE 51 HG13 ILE 51 0.420 8.830 -0.002 425 HG21 ILE 51 HG21 ILE 51 2.817 7.509 -3.201 426 HG22 ILE 51 HG22 ILE 51 3.022 9.102 -2.437 427 HG23 ILE 51 HG23 ILE 51 1.676 8.806 -3.553 428 HD11 ILE 51 HD11 ILE 51 2.366 10.550 -1.509 429 HD12 ILE 51 HD12 ILE 51 2.654 9.763 0.041 430 HD13 ILE 51 HD13 ILE 51 1.436 11.038 -0.091 431 H ASP 52 H ASP 52 0.297 6.979 -4.651 432 HA ASP 52 HA ASP 52 1.240 4.273 -5.029 433 HB2 ASP 52 HB2 ASP 52 -0.509 5.368 -6.477 434 HB3 ASP 52 HB3 ASP 52 0.739 6.434 -7.075 435 HA PRO 53 HA PRO 53 5.499 5.559 -5.113 436 HB2 PRO 53 HB2 PRO 53 6.532 3.471 -6.539 437 HB3 PRO 53 HB3 PRO 53 6.098 3.375 -4.828 438 HG2 PRO 53 HG2 PRO 53 4.508 2.532 -7.224 439 HG3 PRO 53 HG3 PRO 53 4.779 1.655 -5.707 440 HD2 PRO 53 HD2 PRO 53 2.509 2.975 -6.146 441 HD3 PRO 53 HD3 PRO 53 3.262 2.973 -4.535 442 H LYS 54 H LYS 54 3.601 5.252 -8.022 443 HA LYS 54 HA LYS 54 5.781 5.962 -9.751 444 HB2 LYS 54 HB2 LYS 54 2.837 5.846 -10.340 445 HB3 LYS 54 HB3 LYS 54 4.081 6.164 -11.541 446 HG2 LYS 54 HG2 LYS 54 5.069 3.945 -11.023 447 HG3 LYS 54 HG3 LYS 54 3.715 3.648 -9.935 448 HD2 LYS 54 HD2 LYS 54 3.524 4.179 -12.899 449 HD3 LYS 54 HD3 LYS 54 3.368 2.605 -12.132 450 HE2 LYS 54 HE2 LYS 54 1.523 4.972 -11.734 451 HE3 LYS 54 HE3 LYS 54 1.181 3.531 -12.685 452 HZ1 LYS 54 HZ1 LYS 54 1.577 3.668 -9.744 453 HZ2 LYS 54 HZ2 LYS 54 1.393 2.225 -10.623 454 HZ3 LYS 54 HZ3 LYS 54 0.149 3.360 -10.547 455 H LEU 55 H LEU 55 3.928 7.793 -7.646 456 HA LEU 55 HA LEU 55 3.666 10.205 -9.085 457 HB2 LEU 55 HB2 LEU 55 4.156 9.624 -6.204 458 HB3 LEU 55 HB3 LEU 55 3.901 11.258 -6.736 459 HG LEU 55 HG LEU 55 1.905 8.949 -6.763 460 HD11 LEU 55 HD11 LEU 55 0.691 10.305 -5.202 461 HD12 LEU 55 HD12 LEU 55 1.830 11.641 -5.429 462 HD13 LEU 55 HD13 LEU 55 2.374 10.178 -4.650 463 HD21 LEU 55 HD21 LEU 55 1.658 10.285 -8.810 464 HD22 LEU 55 HD22 LEU 55 1.594 11.747 -7.814 465 HD23 LEU 55 HD23 LEU 55 0.322 10.538 -7.686 466 H LYS 56 H LYS 56 5.050 11.667 -9.769 467 HA LYS 56 HA LYS 56 7.776 10.948 -9.759 468 HB2 LYS 56 HB2 LYS 56 8.215 12.982 -11.042 469 HB3 LYS 56 HB3 LYS 56 6.945 11.978 -11.718 470 HG2 LYS 56 HG2 LYS 56 5.283 13.518 -10.836 471 HG3 LYS 56 HG3 LYS 56 6.572 14.519 -10.150 472 HD2 LYS 56 HD2 LYS 56 7.491 14.855 -12.346 473 HD3 LYS 56 HD3 LYS 56 6.251 13.802 -13.033 474 HE2 LYS 56 HE2 LYS 56 4.519 15.354 -12.289 475 HE3 LYS 56 HE3 LYS 56 5.756 16.417 -11.610 476 HZ1 LYS 56 HZ1 LYS 56 5.508 15.679 -14.464 477 HZ2 LYS 56 HZ2 LYS 56 6.637 16.748 -13.832 478 HZ3 LYS 56 HZ3 LYS 56 5.000 17.144 -13.824 479 H TRP 57 H TRP 57 5.998 13.191 -7.754 480 HA TRP 57 HA TRP 57 8.442 14.335 -6.775 481 HB2 TRP 57 HB2 TRP 57 7.169 15.381 -4.987 482 HB3 TRP 57 HB3 TRP 57 6.276 15.586 -6.470 483 HD1 TRP 57 HD1 TRP 57 3.907 14.254 -6.626 484 HE1 TRP 57 HE1 TRP 57 2.380 13.322 -4.747 485 HE3 TRP 57 HE3 TRP 57 7.220 14.230 -2.758 486 HZ2 TRP 57 HZ2 TRP 57 2.544 12.663 -2.096 487 HZ3 TRP 57 HZ3 TRP 57 6.478 13.440 -0.578 488 HH2 TRP 57 HH2 TRP 57 4.178 12.663 -0.226 489 H ILE 58 H ILE 58 6.610 11.533 -6.154 490 HA ILE 58 HA ILE 58 7.732 10.813 -3.694 491 HB ILE 58 HB ILE 58 6.237 9.364 -5.849 492 HG12 ILE 58 HG12 ILE 58 4.972 10.801 -4.353 493 HG13 ILE 58 HG13 ILE 58 4.524 9.114 -4.160 494 HG21 ILE 58 HG21 ILE 58 7.355 8.022 -3.416 495 HG22 ILE 58 HG22 ILE 58 7.734 7.683 -5.119 496 HG23 ILE 58 HG23 ILE 58 6.106 7.381 -4.488 497 HD11 ILE 58 HD11 ILE 58 4.648 10.238 -2.034 498 HD12 ILE 58 HD12 ILE 58 6.336 10.664 -2.321 499 HD13 ILE 58 HD13 ILE 58 5.866 8.966 -2.157 500 H GLN 59 H GLN 59 8.590 10.321 -7.040 501 HA GLN 59 HA GLN 59 10.665 8.475 -6.616 502 HB2 GLN 59 HB2 GLN 59 10.346 10.521 -8.810 503 HB3 GLN 59 HB3 GLN 59 11.493 9.181 -8.829 504 HG2 GLN 59 HG2 GLN 59 9.677 7.586 -8.761 505 HG3 GLN 59 HG3 GLN 59 8.499 8.893 -8.687 506 HE21 GLN 59 HE21 GLN 59 8.802 6.754 -10.619 507 HE22 GLN 59 HE22 GLN 59 8.990 7.526 -12.159 508 H GLU 60 H GLU 60 10.647 11.998 -6.688 509 HA GLU 60 HA GLU 60 13.417 12.397 -6.186 510 HB2 GLU 60 HB2 GLU 60 11.040 14.142 -5.505 511 HB3 GLU 60 HB3 GLU 60 12.715 14.661 -5.420 512 HG2 GLU 60 HG2 GLU 60 11.305 13.756 -7.915 513 HG3 GLU 60 HG3 GLU 60 11.566 15.435 -7.447 514 H TYR 61 H TYR 61 10.704 11.826 -4.250 515 HA TYR 61 HA TYR 61 11.816 12.354 -1.686 516 HB2 TYR 61 HB2 TYR 61 9.435 12.464 -1.879 517 HB3 TYR 61 HB3 TYR 61 9.367 10.861 -2.592 518 HD1 TYR 61 HD1 TYR 61 10.538 12.445 0.600 519 HD2 TYR 61 HD2 TYR 61 8.549 9.178 -1.274 520 HE1 TYR 61 HE1 TYR 61 10.090 11.447 2.804 521 HE2 TYR 61 HE2 TYR 61 8.109 8.167 0.894 522 HH TYR 61 HH TYR 61 9.015 8.247 3.146 523 H LEU 62 H LEU 62 11.262 9.346 -3.486 524 HA LEU 62 HA LEU 62 12.421 7.603 -1.570 525 HB2 LEU 62 HB2 LEU 62 12.170 7.298 -4.557 526 HB3 LEU 62 HB3 LEU 62 12.580 6.008 -3.441 527 HG LEU 62 HG LEU 62 9.976 7.508 -3.507 528 HD11 LEU 62 HD11 LEU 62 10.665 4.699 -4.340 529 HD12 LEU 62 HD12 LEU 62 10.253 6.050 -5.395 530 HD13 LEU 62 HD13 LEU 62 9.039 5.407 -4.290 531 HD21 LEU 62 HD21 LEU 62 9.259 5.837 -1.852 532 HD22 LEU 62 HD22 LEU 62 10.579 6.859 -1.277 533 HD23 LEU 62 HD23 LEU 62 10.914 5.211 -1.805 534 H GLU 63 H GLU 63 13.644 9.355 -4.280 535 HA GLU 63 HA GLU 63 16.254 8.541 -4.321 536 HB2 GLU 63 HB2 GLU 63 15.344 9.870 -6.033 537 HB3 GLU 63 HB3 GLU 63 14.766 11.068 -4.901 538 HG2 GLU 63 HG2 GLU 63 16.470 11.865 -6.209 539 HG3 GLU 63 HG3 GLU 63 16.965 11.812 -4.519 540 H LYS 64 H LYS 64 14.901 11.390 -2.644 541 HA LYS 64 HA LYS 64 17.321 11.916 -1.384 542 HB2 LYS 64 HB2 LYS 64 14.607 12.955 -0.761 543 HB3 LYS 64 HB3 LYS 64 16.100 13.550 -0.037 544 HG2 LYS 64 HG2 LYS 64 16.943 13.961 -2.361 545 HG3 LYS 64 HG3 LYS 64 15.307 13.630 -2.926 546 HD2 LYS 64 HD2 LYS 64 16.117 15.609 -0.923 547 HD3 LYS 64 HD3 LYS 64 15.785 16.025 -2.618 548 HE2 LYS 64 HE2 LYS 64 13.444 15.184 -2.265 549 HE3 LYS 64 HE3 LYS 64 13.827 14.928 -0.565 550 HZ1 LYS 64 HZ1 LYS 64 14.283 17.318 -0.388 551 HZ2 LYS 64 HZ2 LYS 64 12.689 17.008 -0.839 552 HZ3 LYS 64 HZ3 LYS 64 13.813 17.540 -1.977 553 H ALA 65 H ALA 65 14.396 10.311 -0.129 554 HA ALA 65 HA ALA 65 15.430 10.269 2.538 555 HB1 ALA 65 HB1 ALA 65 13.023 10.390 2.068 556 HB2 ALA 65 HB2 ALA 65 13.438 9.029 3.113 557 HB3 ALA 65 HB3 ALA 65 13.092 8.756 1.408 558 H LEU 66 H LEU 66 15.704 8.104 -0.147 559 HA LEU 66 HA LEU 66 16.577 6.019 1.726 560 HB2 LEU 66 HB2 LEU 66 15.645 5.727 -1.108 561 HB3 LEU 66 HB3 LEU 66 16.163 4.395 -0.084 562 HG LEU 66 HG LEU 66 13.728 6.145 0.320 563 HD11 LEU 66 HD11 LEU 66 13.435 4.548 -1.455 564 HD12 LEU 66 HD12 LEU 66 12.467 4.094 -0.054 565 HD13 LEU 66 HD13 LEU 66 13.972 3.238 -0.398 566 HD21 LEU 66 HD21 LEU 66 14.653 5.553 2.483 567 HD22 LEU 66 HD22 LEU 66 14.735 3.851 2.006 568 HD23 LEU 66 HD23 LEU 66 13.173 4.650 2.194 569 H ASN 67 H ASN 67 17.580 7.748 -1.204 570 HA ASN 67 HA ASN 67 19.954 6.143 -1.475 571 HB2 ASN 67 HB2 ASN 67 18.844 7.156 -3.465 572 HB3 ASN 67 HB3 ASN 67 19.185 8.735 -2.817 573 HD21 ASN 67 HD21 ASN 67 20.266 9.268 -4.675 574 HD22 ASN 67 HD22 ASN 67 21.891 8.746 -4.996 575 H LYS 68 H LYS 68 19.114 9.152 0.070 576 HA LYS 68 HA LYS 68 21.930 9.546 0.724 577 HB2 LYS 68 HB2 LYS 68 19.588 11.474 0.920 578 HB3 LYS 68 HB3 LYS 68 21.140 11.851 1.614 579 HG2 LYS 68 HG2 LYS 68 20.963 12.973 -0.360 580 HG3 LYS 68 HG3 LYS 68 22.089 11.650 -0.631 581 HD2 LYS 68 HD2 LYS 68 20.406 10.390 -1.770 582 HD3 LYS 68 HD3 LYS 68 19.185 11.614 -1.389 583 HE2 LYS 68 HE2 LYS 68 19.890 12.076 -3.598 584 HE3 LYS 68 HE3 LYS 68 20.600 13.199 -2.395 585 HZ1 LYS 68 HZ1 LYS 68 22.687 12.097 -2.499 586 HZ2 LYS 68 HZ2 LYS 68 22.239 12.470 -4.078 587 HZ3 LYS 68 HZ3 LYS 68 22.100 10.893 -3.510 Start of MODEL 5 1 H LYS 1 H LYS 1 -15.914 -3.732 -5.962 2 HA LYS 1 HA LYS 1 -14.134 -4.867 -4.966 3 HB2 LYS 1 HB2 LYS 1 -15.219 -5.229 -2.657 4 HB3 LYS 1 HB3 LYS 1 -15.312 -3.640 -3.406 5 HG2 LYS 1 HG2 LYS 1 -17.499 -4.200 -4.252 6 HG3 LYS 1 HG3 LYS 1 -17.416 -5.745 -3.407 7 HD2 LYS 1 HD2 LYS 1 -17.410 -4.684 -1.309 8 HD3 LYS 1 HD3 LYS 1 -17.140 -3.095 -2.041 9 HE2 LYS 1 HE2 LYS 1 -19.464 -3.262 -1.515 10 HE3 LYS 1 HE3 LYS 1 -19.093 -3.344 -3.263 11 HZ1 LYS 1 HZ1 LYS 1 -20.831 -4.992 -2.589 12 HZ2 LYS 1 HZ2 LYS 1 -19.700 -5.766 -1.643 13 HZ3 LYS 1 HZ3 LYS 1 -19.487 -5.678 -3.299 14 HA PRO 2 HA PRO 2 -14.268 -9.289 -5.576 15 HB2 PRO 2 HB2 PRO 2 -11.860 -9.878 -4.446 16 HB3 PRO 2 HB3 PRO 2 -12.021 -9.175 -6.060 17 HG2 PRO 2 HG2 PRO 2 -11.390 -7.827 -3.464 18 HG3 PRO 2 HG3 PRO 2 -10.658 -7.573 -5.059 19 HD2 PRO 2 HD2 PRO 2 -12.523 -5.919 -4.035 20 HD3 PRO 2 HD3 PRO 2 -12.390 -6.237 -5.779 21 H VAL 3 H VAL 3 -15.440 -10.623 -4.372 22 HA VAL 3 HA VAL 3 -15.496 -10.296 -1.522 23 HB VAL 3 HB VAL 3 -16.983 -12.292 -3.256 24 HG11 VAL 3 HG11 VAL 3 -18.404 -12.655 -1.283 25 HG12 VAL 3 HG12 VAL 3 -17.356 -11.597 -0.333 26 HG13 VAL 3 HG13 VAL 3 -16.732 -13.120 -0.962 27 HG21 VAL 3 HG21 VAL 3 -17.880 -9.716 -1.975 28 HG22 VAL 3 HG22 VAL 3 -18.920 -10.842 -2.849 29 HG23 VAL 3 HG23 VAL 3 -17.629 -9.988 -3.696 30 H SER 4 H SER 4 -13.745 -10.947 -0.631 31 HA SER 4 HA SER 4 -13.249 -13.817 -0.583 32 HB2 SER 4 HB2 SER 4 -11.067 -11.743 -0.934 33 HB3 SER 4 HB3 SER 4 -10.812 -13.472 -0.688 34 HG SER 4 HG SER 4 -12.537 -13.152 -2.662 35 H LEU 5 H LEU 5 -12.983 -10.631 0.795 36 HA LEU 5 HA LEU 5 -12.843 -9.807 2.787 37 HB2 LEU 5 HB2 LEU 5 -13.842 -12.495 3.734 38 HB3 LEU 5 HB3 LEU 5 -13.731 -11.068 4.738 39 HG LEU 5 HG LEU 5 -15.511 -11.394 2.324 40 HD11 LEU 5 HD11 LEU 5 -16.267 -12.675 4.240 41 HD12 LEU 5 HD12 LEU 5 -17.330 -11.300 3.945 42 HD13 LEU 5 HD13 LEU 5 -16.157 -11.241 5.260 43 HD21 LEU 5 HD21 LEU 5 -15.223 -9.072 4.238 44 HD22 LEU 5 HD22 LEU 5 -16.440 -9.225 2.974 45 HD23 LEU 5 HD23 LEU 5 -14.746 -9.091 2.538 46 H SER 6 H SER 6 -10.688 -9.803 2.135 47 HA SER 6 HA SER 6 -9.016 -10.596 4.309 48 HB2 SER 6 HB2 SER 6 -8.446 -11.543 1.472 49 HB3 SER 6 HB3 SER 6 -7.351 -11.708 2.846 50 HG SER 6 HG SER 6 -9.808 -12.654 3.395 51 H TYR 7 H TYR 7 -7.061 -9.312 4.233 52 HA TYR 7 HA TYR 7 -6.996 -7.229 2.200 53 HB2 TYR 7 HB2 TYR 7 -8.368 -6.491 4.204 54 HB3 TYR 7 HB3 TYR 7 -6.923 -6.675 5.178 55 HD1 TYR 7 HD1 TYR 7 -8.173 -4.882 2.156 56 HD2 TYR 7 HD2 TYR 7 -5.580 -4.797 5.524 57 HE1 TYR 7 HE1 TYR 7 -7.627 -2.536 1.667 58 HE2 TYR 7 HE2 TYR 7 -5.036 -2.454 5.048 59 HH TYR 7 HH TYR 7 -5.053 -0.907 3.231 60 H ARG 8 H ARG 8 -5.105 -7.859 1.392 61 HA ARG 8 HA ARG 8 -3.048 -8.948 3.119 62 HB2 ARG 8 HB2 ARG 8 -3.085 -8.637 0.124 63 HB3 ARG 8 HB3 ARG 8 -1.917 -9.539 1.076 64 HG2 ARG 8 HG2 ARG 8 -3.653 -11.073 1.789 65 HG3 ARG 8 HG3 ARG 8 -4.847 -10.166 0.860 66 HD2 ARG 8 HD2 ARG 8 -3.554 -10.636 -1.196 67 HD3 ARG 8 HD3 ARG 8 -2.434 -11.596 -0.230 68 HE ARG 8 HE ARG 8 -4.926 -12.589 0.274 69 HH11 ARG 8 HH11 ARG 8 -2.775 -12.297 -2.500 70 HH12 ARG 8 HH12 ARG 8 -3.432 -13.603 -3.370 71 HH21 ARG 8 HH21 ARG 8 -5.858 -14.409 -0.902 72 HH22 ARG 8 HH22 ARG 8 -5.245 -14.844 -2.422 73 H CYS 9 H CYS 9 -3.430 -6.271 0.848 74 HA CYS 9 HA CYS 9 -0.804 -5.291 1.624 75 HB2 CYS 9 HB2 CYS 9 -2.595 -4.060 -0.489 76 HB3 CYS 9 HB3 CYS 9 -0.874 -3.978 -0.295 77 HA PRO 10 HA PRO 10 -2.846 -2.612 4.643 78 HB2 PRO 10 HB2 PRO 10 -0.302 -1.105 4.221 79 HB3 PRO 10 HB3 PRO 10 -1.079 -1.580 5.734 80 HG2 PRO 10 HG2 PRO 10 1.035 -2.918 4.880 81 HG3 PRO 10 HG3 PRO 10 -0.344 -3.785 5.574 82 HD2 PRO 10 HD2 PRO 10 0.463 -3.493 2.712 83 HD3 PRO 10 HD3 PRO 10 -0.215 -4.897 3.569 84 H CYS 11 H CYS 11 -1.293 -1.451 1.706 85 HA CYS 11 HA CYS 11 -3.398 0.537 1.512 86 HB2 CYS 11 HB2 CYS 11 -0.503 0.897 0.768 87 HB3 CYS 11 HB3 CYS 11 -1.795 2.010 0.336 88 H ARG 12 H ARG 12 -4.597 -0.704 0.191 89 HA ARG 12 HA ARG 12 -3.367 -1.611 -2.305 90 HB2 ARG 12 HB2 ARG 12 -4.716 -3.256 -1.003 91 HB3 ARG 12 HB3 ARG 12 -6.120 -2.224 -1.189 92 HG2 ARG 12 HG2 ARG 12 -6.083 -2.554 -3.595 93 HG3 ARG 12 HG3 ARG 12 -4.621 -3.526 -3.454 94 HD2 ARG 12 HD2 ARG 12 -5.847 -5.148 -2.084 95 HD3 ARG 12 HD3 ARG 12 -7.313 -4.182 -2.258 96 HE ARG 12 HE ARG 12 -6.462 -4.668 -4.806 97 HH11 ARG 12 HH11 ARG 12 -7.416 -6.778 -2.074 98 HH12 ARG 12 HH12 ARG 12 -7.968 -8.005 -3.101 99 HH21 ARG 12 HH21 ARG 12 -7.226 -6.399 -6.140 100 HH22 ARG 12 HH22 ARG 12 -7.847 -7.819 -5.422 101 H PHE 13 H PHE 13 -5.645 0.600 -0.941 102 HA PHE 13 HA PHE 13 -6.337 1.675 -3.577 103 HB2 PHE 13 HB2 PHE 13 -7.700 2.085 -0.904 104 HB3 PHE 13 HB3 PHE 13 -8.257 2.692 -2.453 105 HD1 PHE 13 HD1 PHE 13 -9.127 1.102 -4.156 106 HD2 PHE 13 HD2 PHE 13 -8.164 -0.155 -0.206 107 HE1 PHE 13 HE1 PHE 13 -10.443 -0.949 -4.491 108 HE2 PHE 13 HE2 PHE 13 -9.474 -2.205 -0.533 109 HZ PHE 13 HZ PHE 13 -10.618 -2.606 -2.677 110 H PHE 14 H PHE 14 -5.729 3.766 -3.983 111 HA PHE 14 HA PHE 14 -4.148 5.042 -1.867 112 HB2 PHE 14 HB2 PHE 14 -3.667 5.166 -4.836 113 HB3 PHE 14 HB3 PHE 14 -2.699 5.944 -3.593 114 HD1 PHE 14 HD1 PHE 14 -1.793 4.239 -1.745 115 HD2 PHE 14 HD2 PHE 14 -2.917 3.210 -5.710 116 HE1 PHE 14 HE1 PHE 14 -0.375 2.236 -1.624 117 HE2 PHE 14 HE2 PHE 14 -1.513 1.220 -5.606 118 HZ PHE 14 HZ PHE 14 -0.227 0.716 -3.555 119 H GLU 15 H GLU 15 -4.264 7.258 -1.611 120 HA GLU 15 HA GLU 15 -6.599 8.629 -2.389 121 HB2 GLU 15 HB2 GLU 15 -4.813 8.955 -0.475 122 HB3 GLU 15 HB3 GLU 15 -3.967 9.898 -1.681 123 HG2 GLU 15 HG2 GLU 15 -6.671 10.427 -0.488 124 HG3 GLU 15 HG3 GLU 15 -5.164 11.298 -0.235 125 H SER 16 H SER 16 -3.216 8.723 -3.288 126 HA SER 16 HA SER 16 -1.984 9.326 -5.012 127 HB2 SER 16 HB2 SER 16 -2.777 8.608 -7.310 128 HB3 SER 16 HB3 SER 16 -2.740 7.375 -6.059 129 HG SER 16 HG SER 16 -4.677 7.041 -6.619 130 H HIS 17 H HIS 17 -4.439 11.315 -4.395 131 HA HIS 17 HA HIS 17 -3.750 13.091 -6.610 132 HB2 HIS 17 HB2 HIS 17 -6.112 13.061 -4.730 133 HB3 HIS 17 HB3 HIS 17 -5.778 14.396 -5.831 134 HD1 HIS 17 HD1 HIS 17 -6.118 13.950 -8.335 135 HD2 HIS 17 HD2 HIS 17 -7.133 10.763 -5.910 136 HE1 HIS 17 HE1 HIS 17 -7.303 12.382 -9.815 137 HE2 HIS 17 HE2 HIS 17 -7.518 10.311 -8.390 138 H VAL 18 H VAL 18 -2.168 12.473 -4.248 139 HA VAL 18 HA VAL 18 -2.363 14.828 -2.564 140 HB VAL 18 HB VAL 18 -0.496 12.426 -2.273 141 HG11 VAL 18 HG11 VAL 18 -0.175 13.212 0.011 142 HG12 VAL 18 HG12 VAL 18 -1.176 14.623 -0.329 143 HG13 VAL 18 HG13 VAL 18 0.361 14.413 -1.165 144 HG21 VAL 18 HG21 VAL 18 -2.816 11.738 -2.075 145 HG22 VAL 18 HG22 VAL 18 -3.126 13.039 -0.931 146 HG23 VAL 18 HG23 VAL 18 -2.039 11.724 -0.492 147 H ALA 19 H ALA 19 -0.865 16.388 -2.514 148 HA ALA 19 HA ALA 19 1.252 16.311 -4.539 149 HB1 ALA 19 HB1 ALA 19 -0.359 18.147 -4.766 150 HB2 ALA 19 HB2 ALA 19 1.250 18.757 -4.372 151 HB3 ALA 19 HB3 ALA 19 0.009 18.669 -3.122 152 H ARG 20 H ARG 20 3.312 17.250 -3.961 153 HA ARG 20 HA ARG 20 4.452 16.150 -1.679 154 HB2 ARG 20 HB2 ARG 20 5.598 16.524 -3.772 155 HB3 ARG 20 HB3 ARG 20 5.429 18.249 -3.607 156 HG2 ARG 20 HG2 ARG 20 7.703 17.437 -3.210 157 HG3 ARG 20 HG3 ARG 20 7.034 18.242 -1.773 158 HD2 ARG 20 HD2 ARG 20 6.870 16.248 -0.644 159 HD3 ARG 20 HD3 ARG 20 6.845 15.302 -2.120 160 HE ARG 20 HE ARG 20 9.267 16.151 -2.339 161 HH11 ARG 20 HH11 ARG 20 7.827 15.432 0.813 162 HH12 ARG 20 HH12 ARG 20 9.248 14.762 1.465 163 HH21 ARG 20 HH21 ARG 20 11.129 15.267 -1.523 164 HH22 ARG 20 HH22 ARG 20 11.235 14.644 0.085 165 H ALA 21 H ALA 21 2.851 19.154 -2.086 166 HA ALA 21 HA ALA 21 4.123 20.485 0.158 167 HB1 ALA 21 HB1 ALA 21 1.736 21.310 -1.462 168 HB2 ALA 21 HB2 ALA 21 3.405 21.782 -1.793 169 HB3 ALA 21 HB3 ALA 21 2.613 22.317 -0.308 170 H ASN 22 H ASN 22 1.005 18.953 -0.528 171 HA ASN 22 HA ASN 22 -0.125 19.711 2.048 172 HB2 ASN 22 HB2 ASN 22 -1.531 19.723 0.026 173 HB3 ASN 22 HB3 ASN 22 -1.231 18.013 -0.213 174 HD21 ASN 22 HD21 ASN 22 -3.384 17.552 -0.186 175 HD22 ASN 22 HD22 ASN 22 -4.398 17.578 1.198 176 H VAL 23 H VAL 23 1.961 17.400 1.115 177 HA VAL 23 HA VAL 23 0.785 15.427 2.824 178 HB VAL 23 HB VAL 23 1.692 14.465 0.843 179 HG11 VAL 23 HG11 VAL 23 4.025 14.512 0.235 180 HG12 VAL 23 HG12 VAL 23 4.395 15.563 1.611 181 HG13 VAL 23 HG13 VAL 23 3.359 16.127 0.288 182 HG21 VAL 23 HG21 VAL 23 1.830 13.206 2.908 183 HG22 VAL 23 HG22 VAL 23 3.485 13.775 3.143 184 HG23 VAL 23 HG23 VAL 23 3.088 12.752 1.761 185 H LYS 24 H LYS 24 0.974 15.393 4.840 186 HA LYS 24 HA LYS 24 2.613 16.956 6.444 187 HB2 LYS 24 HB2 LYS 24 0.299 16.201 6.763 188 HB3 LYS 24 HB3 LYS 24 0.884 14.565 6.896 189 HG2 LYS 24 HG2 LYS 24 0.407 15.371 9.044 190 HG3 LYS 24 HG3 LYS 24 2.166 15.287 8.888 191 HD2 LYS 24 HD2 LYS 24 2.284 17.639 8.439 192 HD3 LYS 24 HD3 LYS 24 0.514 17.698 8.399 193 HE2 LYS 24 HE2 LYS 24 1.206 18.515 10.447 194 HE3 LYS 24 HE3 LYS 24 0.411 16.908 10.523 195 HZ1 LYS 24 HZ1 LYS 24 3.377 17.218 10.667 196 HZ2 LYS 24 HZ2 LYS 24 2.485 15.829 10.913 197 HZ3 LYS 24 HZ3 LYS 24 2.408 17.072 12.039 198 H HIS 25 H HIS 25 2.322 13.528 5.743 199 HA HIS 25 HA HIS 25 4.889 12.954 7.028 200 HB2 HIS 25 HB2 HIS 25 3.227 12.594 8.709 201 HB3 HIS 25 HB3 HIS 25 2.203 11.697 7.604 202 HD1 HIS 25 HD1 HIS 25 4.924 11.332 10.041 203 HD2 HIS 25 HD2 HIS 25 3.167 9.057 7.053 204 HE1 HIS 25 HE1 HIS 25 5.616 8.969 10.535 205 HE2 HIS 25 HE2 HIS 25 4.180 7.626 8.993 206 H LEU 26 H LEU 26 5.965 11.266 6.082 207 HA LEU 26 HA LEU 26 4.608 9.661 4.069 208 HB2 LEU 26 HB2 LEU 26 7.149 11.223 3.694 209 HB3 LEU 26 HB3 LEU 26 6.752 9.831 2.714 210 HG LEU 26 HG LEU 26 4.960 12.238 2.881 211 HD11 LEU 26 HD11 LEU 26 7.061 11.508 0.839 212 HD12 LEU 26 HD12 LEU 26 7.180 12.846 1.985 213 HD13 LEU 26 HD13 LEU 26 5.933 12.866 0.737 214 HD21 LEU 26 HD21 LEU 26 5.181 9.919 0.968 215 HD22 LEU 26 HD22 LEU 26 4.047 11.252 0.825 216 HD23 LEU 26 HD23 LEU 26 3.925 10.133 2.179 217 H LYS 27 H LYS 27 4.782 7.657 4.735 218 HA LYS 27 HA LYS 27 7.299 6.801 5.901 219 HB2 LYS 27 HB2 LYS 27 5.272 6.834 7.495 220 HB3 LYS 27 HB3 LYS 27 4.564 5.648 6.416 221 HG2 LYS 27 HG2 LYS 27 5.527 4.605 8.317 222 HG3 LYS 27 HG3 LYS 27 6.380 4.147 6.833 223 HD2 LYS 27 HD2 LYS 27 8.063 5.919 7.337 224 HD3 LYS 27 HD3 LYS 27 7.236 6.167 8.880 225 HE2 LYS 27 HE2 LYS 27 8.215 3.671 7.833 226 HE3 LYS 27 HE3 LYS 27 9.236 4.712 8.873 227 HZ1 LYS 27 HZ1 LYS 27 8.214 2.948 10.191 228 HZ2 LYS 27 HZ2 LYS 27 6.682 3.300 9.598 229 HZ3 LYS 27 HZ3 LYS 27 7.472 4.386 10.631 230 H ILE 28 H ILE 28 8.168 5.040 4.757 231 HA ILE 28 HA ILE 28 6.484 4.158 2.540 232 HB ILE 28 HB ILE 28 9.470 3.655 2.788 233 HG12 ILE 28 HG12 ILE 28 7.931 5.891 1.533 234 HG13 ILE 28 HG13 ILE 28 9.136 6.030 2.817 235 HG21 ILE 28 HG21 ILE 28 7.926 2.334 1.166 236 HG22 ILE 28 HG22 ILE 28 9.304 3.207 0.427 237 HG23 ILE 28 HG23 ILE 28 7.707 3.949 0.446 238 HD11 ILE 28 HD11 ILE 28 10.794 5.123 1.119 239 HD12 ILE 28 HD12 ILE 28 10.097 6.745 0.786 240 HD13 ILE 28 HD13 ILE 28 9.425 5.350 -0.020 241 H LEU 29 H LEU 29 5.452 2.305 2.758 242 HA LEU 29 HA LEU 29 6.477 0.319 4.574 243 HB2 LEU 29 HB2 LEU 29 4.238 1.374 4.926 244 HB3 LEU 29 HB3 LEU 29 3.754 0.823 3.348 245 HG LEU 29 HG LEU 29 4.507 -1.004 5.581 246 HD11 LEU 29 HD11 LEU 29 1.767 -0.011 4.740 247 HD12 LEU 29 HD12 LEU 29 2.591 0.404 6.245 248 HD13 LEU 29 HD13 LEU 29 2.055 -1.252 5.957 249 HD21 LEU 29 HD21 LEU 29 3.193 -2.673 4.330 250 HD22 LEU 29 HD22 LEU 29 4.528 -2.038 3.368 251 HD23 LEU 29 HD23 LEU 29 2.885 -1.471 3.076 252 H ASN 30 H ASN 30 7.063 -1.631 3.709 253 HA ASN 30 HA ASN 30 6.651 -1.981 0.828 254 HB2 ASN 30 HB2 ASN 30 8.980 -1.508 1.228 255 HB3 ASN 30 HB3 ASN 30 9.080 -2.730 2.473 256 HD21 ASN 30 HD21 ASN 30 10.710 -3.771 1.461 257 HD22 ASN 30 HD22 ASN 30 10.526 -4.702 0.022 258 H THR 31 H THR 31 5.836 -3.805 0.147 259 HA THR 31 HA THR 31 5.749 -6.085 1.930 260 HB THR 31 HB THR 31 3.388 -5.032 0.424 261 HG1 THR 31 HG1 THR 31 4.383 -4.413 2.799 262 HG21 THR 31 HG21 THR 31 3.668 -7.357 2.309 263 HG22 THR 31 HG22 THR 31 3.379 -7.448 0.572 264 HG23 THR 31 HG23 THR 31 2.128 -6.793 1.650 265 HA PRO 32 HA PRO 32 7.635 -7.565 -1.899 266 HB2 PRO 32 HB2 PRO 32 7.143 -10.082 -0.377 267 HB3 PRO 32 HB3 PRO 32 8.602 -9.540 -1.219 268 HG2 PRO 32 HG2 PRO 32 8.436 -9.375 1.430 269 HG3 PRO 32 HG3 PRO 32 9.209 -8.084 0.483 270 HD2 PRO 32 HD2 PRO 32 6.518 -8.096 1.807 271 HD3 PRO 32 HD3 PRO 32 7.621 -6.756 1.558 272 H ASN 33 H ASN 33 4.821 -9.235 -0.454 273 HA ASN 33 HA ASN 33 4.171 -10.469 -2.958 274 HB2 ASN 33 HB2 ASN 33 2.608 -10.375 -0.378 275 HB3 ASN 33 HB3 ASN 33 2.036 -11.198 -1.824 276 HD21 ASN 33 HD21 ASN 33 4.257 -11.248 0.802 277 HD22 ASN 33 HD22 ASN 33 4.853 -12.845 0.538 278 H CYS 34 H CYS 34 3.706 -7.379 -1.919 279 HA CYS 34 HA CYS 34 1.367 -7.120 -3.666 280 HB2 CYS 34 HB2 CYS 34 2.189 -5.307 -1.397 281 HB3 CYS 34 HB3 CYS 34 0.836 -5.030 -2.484 282 H ALA 35 H ALA 35 3.709 -4.754 -2.421 283 HA ALA 35 HA ALA 35 5.293 -4.143 -4.505 284 HB1 ALA 35 HB1 ALA 35 4.107 -2.208 -5.546 285 HB2 ALA 35 HB2 ALA 35 2.655 -2.656 -4.650 286 HB3 ALA 35 HB3 ALA 35 3.278 -3.731 -5.897 287 H LEU 36 H LEU 36 5.728 -1.586 -4.291 288 HA LEU 36 HA LEU 36 5.912 -1.042 -1.518 289 HB2 LEU 36 HB2 LEU 36 6.768 0.388 -3.963 290 HB3 LEU 36 HB3 LEU 36 6.519 1.354 -2.526 291 HG LEU 36 HG LEU 36 8.856 0.732 -2.821 292 HD11 LEU 36 HD11 LEU 36 7.576 -0.535 -0.422 293 HD12 LEU 36 HD12 LEU 36 8.041 1.155 -0.609 294 HD13 LEU 36 HD13 LEU 36 9.277 -0.099 -0.581 295 HD21 LEU 36 HD21 LEU 36 7.908 -2.095 -2.412 296 HD22 LEU 36 HD22 LEU 36 9.582 -1.586 -2.440 297 HD23 LEU 36 HD23 LEU 36 8.608 -1.454 -3.911 298 H GLN 37 H GLN 37 4.994 0.434 -0.344 299 HA GLN 37 HA GLN 37 2.513 1.586 -1.308 300 HB2 GLN 37 HB2 GLN 37 2.886 -0.302 0.969 301 HB3 GLN 37 HB3 GLN 37 1.518 0.802 0.924 302 HG2 GLN 37 HG2 GLN 37 0.601 -0.209 -0.951 303 HG3 GLN 37 HG3 GLN 37 2.134 -0.944 -1.415 304 HE21 GLN 37 HE21 GLN 37 2.734 -2.762 -0.533 305 HE22 GLN 37 HE22 GLN 37 1.718 -3.733 0.476 306 H ILE 38 H ILE 38 2.924 3.757 -0.891 307 HA ILE 38 HA ILE 38 4.527 4.337 1.467 308 HB ILE 38 HB ILE 38 3.818 6.242 -0.803 309 HG12 ILE 38 HG12 ILE 38 6.171 4.450 -0.298 310 HG13 ILE 38 HG13 ILE 38 5.095 4.417 -1.673 311 HG21 ILE 38 HG21 ILE 38 5.663 7.584 0.117 312 HG22 ILE 38 HG22 ILE 38 5.922 6.365 1.363 313 HG23 ILE 38 HG23 ILE 38 4.439 7.329 1.365 314 HD11 ILE 38 HD11 ILE 38 5.980 6.615 -2.386 315 HD12 ILE 38 HD12 ILE 38 7.205 5.334 -2.305 316 HD13 ILE 38 HD13 ILE 38 7.117 6.540 -1.027 317 H VAL 39 H VAL 39 3.779 5.531 3.083 318 HA VAL 39 HA VAL 39 0.865 6.002 3.062 319 HB VAL 39 HB VAL 39 2.679 5.601 5.461 320 HG11 VAL 39 HG11 VAL 39 0.838 7.030 6.036 321 HG12 VAL 39 HG12 VAL 39 0.606 5.450 6.779 322 HG13 VAL 39 HG13 VAL 39 -0.323 5.899 5.342 323 HG21 VAL 39 HG21 VAL 39 1.533 3.452 5.742 324 HG22 VAL 39 HG22 VAL 39 2.406 3.541 4.211 325 HG23 VAL 39 HG23 VAL 39 0.651 3.730 4.236 326 H ALA 40 H ALA 40 0.101 8.011 3.319 327 HA ALA 40 HA ALA 40 1.973 10.082 4.206 328 HB1 ALA 40 HB1 ALA 40 1.150 11.520 2.519 329 HB2 ALA 40 HB2 ALA 40 0.116 10.226 1.904 330 HB3 ALA 40 HB3 ALA 40 1.890 10.059 1.846 331 H ARG 41 H ARG 41 1.044 11.831 5.204 332 HA ARG 41 HA ARG 41 -1.783 11.549 5.663 333 HB2 ARG 41 HB2 ARG 41 -0.303 11.240 7.695 334 HB3 ARG 41 HB3 ARG 41 0.089 12.946 7.568 335 HG2 ARG 41 HG2 ARG 41 -2.095 13.610 7.944 336 HG3 ARG 41 HG3 ARG 41 -2.713 11.971 7.749 337 HD2 ARG 41 HD2 ARG 41 -1.367 11.272 9.540 338 HD3 ARG 41 HD3 ARG 41 -0.856 12.961 9.817 339 HE ARG 41 HE ARG 41 -3.636 12.940 9.794 340 HH11 ARG 41 HH11 ARG 41 -1.174 11.528 11.886 341 HH12 ARG 41 HH12 ARG 41 -2.203 11.487 13.248 342 HH21 ARG 41 HH21 ARG 41 -5.010 12.874 11.619 343 HH22 ARG 41 HH22 ARG 41 -4.413 12.291 13.095 344 H LEU 42 H LEU 42 -3.078 13.224 5.339 345 HA LEU 42 HA LEU 42 -2.001 15.364 3.698 346 HB2 LEU 42 HB2 LEU 42 -4.844 14.910 4.682 347 HB3 LEU 42 HB3 LEU 42 -4.364 16.119 3.513 348 HG LEU 42 HG LEU 42 -4.216 13.136 3.158 349 HD11 LEU 42 HD11 LEU 42 -6.461 14.005 3.054 350 HD12 LEU 42 HD12 LEU 42 -5.907 13.543 1.440 351 HD13 LEU 42 HD13 LEU 42 -5.941 15.245 1.918 352 HD21 LEU 42 HD21 LEU 42 -3.589 13.651 0.876 353 HD22 LEU 42 HD22 LEU 42 -2.375 14.213 2.030 354 HD23 LEU 42 HD23 LEU 42 -3.489 15.367 1.288 355 H LYS 43 H LYS 43 -1.814 17.523 4.231 356 HA LYS 43 HA LYS 43 -1.679 18.064 7.089 357 HB2 LYS 43 HB2 LYS 43 -0.976 19.811 4.731 358 HB3 LYS 43 HB3 LYS 43 -0.784 20.310 6.398 359 HG2 LYS 43 HG2 LYS 43 0.773 18.463 6.753 360 HG3 LYS 43 HG3 LYS 43 0.621 18.008 5.050 361 HD2 LYS 43 HD2 LYS 43 2.637 19.291 5.362 362 HD3 LYS 43 HD3 LYS 43 1.482 20.272 4.463 363 HE2 LYS 43 HE2 LYS 43 0.892 21.495 6.477 364 HE3 LYS 43 HE3 LYS 43 1.930 20.453 7.443 365 HZ1 LYS 43 HZ1 LYS 43 3.825 21.279 6.251 366 HZ2 LYS 43 HZ2 LYS 43 2.983 22.560 6.951 367 HZ3 LYS 43 HZ3 LYS 43 2.850 22.273 5.294 368 H ASN 44 H ASN 44 -3.498 19.197 4.322 369 HA ASN 44 HA ASN 44 -4.954 21.138 5.829 370 HB2 ASN 44 HB2 ASN 44 -4.675 21.470 3.455 371 HB3 ASN 44 HB3 ASN 44 -5.464 19.940 3.103 372 HD21 ASN 44 HD21 ASN 44 -7.698 19.827 3.143 373 HD22 ASN 44 HD22 ASN 44 -8.703 21.214 3.280 374 H ASN 45 H ASN 45 -5.613 17.910 4.722 375 HA ASN 45 HA ASN 45 -8.299 17.935 5.884 376 HB2 ASN 45 HB2 ASN 45 -6.835 15.718 4.451 377 HB3 ASN 45 HB3 ASN 45 -8.515 15.667 4.943 378 HD21 ASN 45 HD21 ASN 45 -9.224 15.352 2.890 379 HD22 ASN 45 HD22 ASN 45 -9.175 16.577 1.670 380 H ASN 46 H ASN 46 -5.144 16.987 6.726 381 HA ASN 46 HA ASN 46 -4.179 15.924 8.410 382 HB2 ASN 46 HB2 ASN 46 -6.817 16.393 9.795 383 HB3 ASN 46 HB3 ASN 46 -5.425 15.685 10.608 384 HD21 ASN 46 HD21 ASN 46 -6.850 18.523 9.318 385 HD22 ASN 46 HD22 ASN 46 -5.703 19.659 9.917 386 H ARG 47 H ARG 47 -6.184 14.328 6.515 387 HA ARG 47 HA ARG 47 -6.465 12.037 8.250 388 HB2 ARG 47 HB2 ARG 47 -7.662 10.939 6.443 389 HB3 ARG 47 HB3 ARG 47 -8.335 12.521 6.820 390 HG2 ARG 47 HG2 ARG 47 -7.361 13.463 4.918 391 HG3 ARG 47 HG3 ARG 47 -6.458 11.975 4.587 392 HD2 ARG 47 HD2 ARG 47 -8.547 10.761 4.248 393 HD3 ARG 47 HD3 ARG 47 -9.470 12.214 4.615 394 HE ARG 47 HE ARG 47 -8.030 13.025 2.535 395 HH11 ARG 47 HH11 ARG 47 -9.847 10.006 2.972 396 HH12 ARG 47 HH12 ARG 47 -10.270 9.856 1.335 397 HH21 ARG 47 HH21 ARG 47 -8.621 12.825 0.253 398 HH22 ARG 47 HH22 ARG 47 -9.534 11.491 -0.240 399 H GLN 48 H GLN 48 -5.542 10.038 7.954 400 HA GLN 48 HA GLN 48 -2.981 10.109 6.671 401 HB2 GLN 48 HB2 GLN 48 -3.362 9.334 8.973 402 HB3 GLN 48 HB3 GLN 48 -4.377 8.034 8.351 403 HG2 GLN 48 HG2 GLN 48 -2.387 7.292 7.057 404 HG3 GLN 48 HG3 GLN 48 -1.480 8.507 7.956 405 HE21 GLN 48 HE21 GLN 48 -0.168 6.943 8.960 406 HE22 GLN 48 HE22 GLN 48 -0.766 5.938 10.223 407 H VAL 49 H VAL 49 -2.708 9.216 4.739 408 HA VAL 49 HA VAL 49 -4.662 7.308 3.718 409 HB VAL 49 HB VAL 49 -4.519 8.420 1.478 410 HG11 VAL 49 HG11 VAL 49 -6.490 8.762 2.895 411 HG12 VAL 49 HG12 VAL 49 -6.119 10.229 1.989 412 HG13 VAL 49 HG13 VAL 49 -5.689 10.116 3.695 413 HG21 VAL 49 HG21 VAL 49 -2.488 9.705 1.814 414 HG22 VAL 49 HG22 VAL 49 -3.285 10.686 3.044 415 HG23 VAL 49 HG23 VAL 49 -3.813 10.778 1.362 416 H CYS 50 H CYS 50 -3.771 6.698 1.366 417 HA CYS 50 HA CYS 50 -0.980 5.986 1.781 418 HB2 CYS 50 HB2 CYS 50 -3.132 4.413 0.363 419 HB3 CYS 50 HB3 CYS 50 -1.434 3.960 0.514 420 H ILE 51 H ILE 51 0.391 6.317 0.172 421 HA ILE 51 HA ILE 51 -0.483 7.915 -2.079 422 HB ILE 51 HB ILE 51 2.172 7.408 -0.768 423 HG12 ILE 51 HG12 ILE 51 0.772 9.061 0.337 424 HG13 ILE 51 HG13 ILE 51 2.198 9.785 -0.417 425 HG21 ILE 51 HG21 ILE 51 2.515 7.480 -3.161 426 HG22 ILE 51 HG22 ILE 51 3.168 8.890 -2.299 427 HG23 ILE 51 HG23 ILE 51 1.621 9.022 -3.172 428 HD11 ILE 51 HD11 ILE 51 0.891 10.533 -2.231 429 HD12 ILE 51 HD12 ILE 51 0.302 11.146 -0.688 430 HD13 ILE 51 HD13 ILE 51 -0.569 9.829 -1.501 431 H ASP 52 H ASP 52 -0.364 7.217 -4.075 432 HA ASP 52 HA ASP 52 0.326 4.527 -4.750 433 HB2 ASP 52 HB2 ASP 52 -1.447 5.765 -5.870 434 HB3 ASP 52 HB3 ASP 52 -0.299 6.973 -6.446 435 HA PRO 53 HA PRO 53 4.629 5.708 -4.852 436 HB2 PRO 53 HB2 PRO 53 5.661 3.409 -5.846 437 HB3 PRO 53 HB3 PRO 53 5.108 3.574 -4.171 438 HG2 PRO 53 HG2 PRO 53 3.668 2.425 -6.530 439 HG3 PRO 53 HG3 PRO 53 3.810 1.779 -4.886 440 HD2 PRO 53 HD2 PRO 53 1.613 3.087 -5.700 441 HD3 PRO 53 HD3 PRO 53 2.223 3.241 -4.038 442 H LYS 54 H LYS 54 2.726 5.132 -7.596 443 HA LYS 54 HA LYS 54 4.906 5.420 -9.457 444 HB2 LYS 54 HB2 LYS 54 1.942 5.243 -9.915 445 HB3 LYS 54 HB3 LYS 54 3.155 5.273 -11.188 446 HG2 LYS 54 HG2 LYS 54 4.116 3.196 -10.362 447 HG3 LYS 54 HG3 LYS 54 2.950 3.164 -9.045 448 HD2 LYS 54 HD2 LYS 54 2.302 3.062 -11.974 449 HD3 LYS 54 HD3 LYS 54 2.321 1.662 -10.892 450 HE2 LYS 54 HE2 LYS 54 0.556 2.788 -9.530 451 HE3 LYS 54 HE3 LYS 54 0.505 4.072 -10.727 452 HZ1 LYS 54 HZ1 LYS 54 -1.256 2.534 -11.128 453 HZ2 LYS 54 HZ2 LYS 54 -0.212 1.222 -11.193 454 HZ3 LYS 54 HZ3 LYS 54 -0.165 2.418 -12.390 455 H LEU 55 H LEU 55 3.124 7.495 -7.559 456 HA LEU 55 HA LEU 55 2.770 9.806 -9.154 457 HB2 LEU 55 HB2 LEU 55 3.520 9.350 -6.335 458 HB3 LEU 55 HB3 LEU 55 3.348 10.981 -6.870 459 HG LEU 55 HG LEU 55 1.238 8.813 -6.617 460 HD11 LEU 55 HD11 LEU 55 0.212 10.303 -5.030 461 HD12 LEU 55 HD12 LEU 55 1.387 11.568 -5.432 462 HD13 LEU 55 HD13 LEU 55 1.935 10.115 -4.640 463 HD21 LEU 55 HD21 LEU 55 0.796 10.002 -8.705 464 HD22 LEU 55 HD22 LEU 55 0.909 11.543 -7.836 465 HD23 LEU 55 HD23 LEU 55 -0.392 10.417 -7.471 466 H LYS 56 H LYS 56 4.084 11.306 -9.960 467 HA LYS 56 HA LYS 56 6.755 10.493 -10.322 468 HB2 LYS 56 HB2 LYS 56 5.356 13.004 -11.178 469 HB3 LYS 56 HB3 LYS 56 7.024 12.608 -11.580 470 HG2 LYS 56 HG2 LYS 56 6.254 10.565 -12.702 471 HG3 LYS 56 HG3 LYS 56 4.590 11.000 -12.315 472 HD2 LYS 56 HD2 LYS 56 5.150 11.597 -14.591 473 HD3 LYS 56 HD3 LYS 56 4.806 13.029 -13.614 474 HE2 LYS 56 HE2 LYS 56 7.211 13.450 -13.369 475 HE3 LYS 56 HE3 LYS 56 7.573 11.998 -14.310 476 HZ1 LYS 56 HZ1 LYS 56 6.465 13.048 -16.194 477 HZ2 LYS 56 HZ2 LYS 56 7.748 13.989 -15.640 478 HZ3 LYS 56 HZ3 LYS 56 6.178 14.429 -15.265 479 H TRP 57 H TRP 57 5.275 12.863 -8.231 480 HA TRP 57 HA TRP 57 7.755 14.062 -7.520 481 HB2 TRP 57 HB2 TRP 57 6.566 15.244 -5.783 482 HB3 TRP 57 HB3 TRP 57 5.562 15.210 -7.215 483 HD1 TRP 57 HD1 TRP 57 3.128 14.024 -6.950 484 HE1 TRP 57 HE1 TRP 57 1.841 13.223 -4.782 485 HE3 TRP 57 HE3 TRP 57 6.898 13.997 -3.543 486 HZ2 TRP 57 HZ2 TRP 57 2.306 12.664 -2.224 487 HZ3 TRP 57 HZ3 TRP 57 6.415 13.325 -1.258 488 HH2 TRP 57 HH2 TRP 57 4.106 12.636 -0.599 489 H ILE 58 H ILE 58 6.268 11.196 -6.770 490 HA ILE 58 HA ILE 58 7.425 10.741 -4.225 491 HB ILE 58 HB ILE 58 5.930 9.090 -6.214 492 HG12 ILE 58 HG12 ILE 58 4.684 10.538 -4.742 493 HG13 ILE 58 HG13 ILE 58 4.350 8.841 -4.387 494 HG21 ILE 58 HG21 ILE 58 7.223 7.926 -3.782 495 HG22 ILE 58 HG22 ILE 58 7.569 7.545 -5.488 496 HG23 ILE 58 HG23 ILE 58 5.976 7.192 -4.799 497 HD11 ILE 58 HD11 ILE 58 4.569 10.177 -2.350 498 HD12 ILE 58 HD12 ILE 58 6.192 10.636 -2.797 499 HD13 ILE 58 HD13 ILE 58 5.817 8.944 -2.455 500 H GLN 59 H GLN 59 8.538 10.285 -7.481 501 HA GLN 59 HA GLN 59 10.681 8.610 -6.742 502 HB2 GLN 59 HB2 GLN 59 10.314 10.403 -9.122 503 HB3 GLN 59 HB3 GLN 59 11.805 9.509 -8.862 504 HG2 GLN 59 HG2 GLN 59 10.453 8.293 -10.387 505 HG3 GLN 59 HG3 GLN 59 10.497 7.413 -8.877 506 HE21 GLN 59 HE21 GLN 59 8.606 7.201 -7.670 507 HE22 GLN 59 HE22 GLN 59 7.059 7.619 -8.321 508 H GLU 60 H GLU 60 10.340 12.207 -6.824 509 HA GLU 60 HA GLU 60 12.845 13.028 -6.256 510 HB2 GLU 60 HB2 GLU 60 10.680 14.163 -6.925 511 HB3 GLU 60 HB3 GLU 60 10.157 13.961 -5.279 512 HG2 GLU 60 HG2 GLU 60 12.514 15.453 -6.190 513 HG3 GLU 60 HG3 GLU 60 10.896 16.134 -5.928 514 H TYR 61 H TYR 61 10.131 12.068 -4.223 515 HA TYR 61 HA TYR 61 11.400 12.373 -1.742 516 HB2 TYR 61 HB2 TYR 61 9.049 12.397 -1.703 517 HB3 TYR 61 HB3 TYR 61 8.930 10.890 -2.602 518 HD1 TYR 61 HD1 TYR 61 10.264 12.187 0.655 519 HD2 TYR 61 HD2 TYR 61 8.455 8.974 -1.463 520 HE1 TYR 61 HE1 TYR 61 10.089 10.915 2.751 521 HE2 TYR 61 HE2 TYR 61 8.266 7.685 0.558 522 HH TYR 61 HH TYR 61 8.793 9.088 3.705 523 H LEU 62 H LEU 62 10.960 9.487 -3.759 524 HA LEU 62 HA LEU 62 11.937 7.575 -1.998 525 HB2 LEU 62 HB2 LEU 62 12.133 7.636 -4.996 526 HB3 LEU 62 HB3 LEU 62 12.543 6.246 -4.011 527 HG LEU 62 HG LEU 62 9.812 7.512 -4.190 528 HD11 LEU 62 HD11 LEU 62 10.867 4.923 -5.281 529 HD12 LEU 62 HD12 LEU 62 10.460 6.364 -6.230 530 HD13 LEU 62 HD13 LEU 62 9.192 5.492 -5.357 531 HD21 LEU 62 HD21 LEU 62 9.098 5.531 -2.940 532 HD22 LEU 62 HD22 LEU 62 10.209 6.556 -2.028 533 HD23 LEU 62 HD23 LEU 62 10.793 5.058 -2.752 534 H GLU 63 H GLU 63 13.777 9.304 -4.438 535 HA GLU 63 HA GLU 63 16.198 8.075 -3.673 536 HB2 GLU 63 HB2 GLU 63 17.373 9.845 -4.940 537 HB3 GLU 63 HB3 GLU 63 16.071 9.097 -5.846 538 HG2 GLU 63 HG2 GLU 63 14.656 11.038 -5.409 539 HG3 GLU 63 HG3 GLU 63 15.966 11.770 -4.481 540 H LYS 64 H LYS 64 14.499 10.715 -2.275 541 HA LYS 64 HA LYS 64 16.811 11.402 -0.661 542 HB2 LYS 64 HB2 LYS 64 14.109 12.626 -0.884 543 HB3 LYS 64 HB3 LYS 64 15.328 13.210 0.241 544 HG2 LYS 64 HG2 LYS 64 15.553 13.155 -2.777 545 HG3 LYS 64 HG3 LYS 64 15.296 14.595 -1.788 546 HD2 LYS 64 HD2 LYS 64 17.756 12.811 -1.688 547 HD3 LYS 64 HD3 LYS 64 17.651 14.355 -2.514 548 HE2 LYS 64 HE2 LYS 64 17.239 15.495 -0.416 549 HE3 LYS 64 HE3 LYS 64 17.238 13.962 0.446 550 HZ1 LYS 64 HZ1 LYS 64 19.361 15.200 0.602 551 HZ2 LYS 64 HZ2 LYS 64 19.574 15.017 -1.052 552 HZ3 LYS 64 HZ3 LYS 64 19.552 13.659 -0.057 553 H ALA 65 H ALA 65 14.563 9.146 -0.519 554 HA ALA 65 HA ALA 65 14.434 9.191 2.417 555 HB1 ALA 65 HB1 ALA 65 12.253 8.975 1.300 556 HB2 ALA 65 HB2 ALA 65 12.644 7.509 2.200 557 HB3 ALA 65 HB3 ALA 65 12.825 7.546 0.446 558 H LEU 66 H LEU 66 15.211 7.297 -0.382 559 HA LEU 66 HA LEU 66 16.347 5.158 1.177 560 HB2 LEU 66 HB2 LEU 66 16.215 5.609 -1.801 561 HB3 LEU 66 HB3 LEU 66 17.153 4.307 -1.115 562 HG LEU 66 HG LEU 66 15.087 3.323 -0.167 563 HD11 LEU 66 HD11 LEU 66 13.632 5.497 -1.650 564 HD12 LEU 66 HD12 LEU 66 13.723 5.304 0.102 565 HD13 LEU 66 HD13 LEU 66 12.889 4.096 -0.880 566 HD21 LEU 66 HD21 LEU 66 14.977 3.855 -3.126 567 HD22 LEU 66 HD22 LEU 66 14.125 2.565 -2.280 568 HD23 LEU 66 HD23 LEU 66 15.890 2.581 -2.321 569 H ASN 67 H ASN 67 17.802 7.305 -1.298 570 HA ASN 67 HA ASN 67 20.438 6.794 -0.306 571 HB2 ASN 67 HB2 ASN 67 20.012 7.524 -2.664 572 HB3 ASN 67 HB3 ASN 67 19.445 9.059 -2.051 573 HD21 ASN 67 HD21 ASN 67 22.218 7.387 -0.672 574 HD22 ASN 67 HD22 ASN 67 23.392 8.511 -1.212 575 H LYS 68 H LYS 68 18.200 9.487 -0.174 576 HA LYS 68 HA LYS 68 17.934 11.271 1.081 577 HB2 LYS 68 HB2 LYS 68 17.423 9.435 2.628 578 HB3 LYS 68 HB3 LYS 68 19.074 9.490 3.216 579 HG2 LYS 68 HG2 LYS 68 18.714 11.772 4.001 580 HG3 LYS 68 HG3 LYS 68 17.064 11.710 3.397 581 HD2 LYS 68 HD2 LYS 68 18.209 9.796 5.329 582 HD3 LYS 68 HD3 LYS 68 17.270 11.230 5.849 583 HE2 LYS 68 HE2 LYS 68 15.387 10.263 4.429 584 HE3 LYS 68 HE3 LYS 68 16.377 8.823 4.235 585 HZ1 LYS 68 HZ1 LYS 68 15.367 9.899 6.794 586 HZ2 LYS 68 HZ2 LYS 68 16.338 8.535 6.661 587 HZ3 LYS 68 HZ3 LYS 68 14.787 8.547 6.005 Start of MODEL 6 1 H LYS 1 H LYS 1 -18.311 -9.592 -6.549 2 HA LYS 1 HA LYS 1 -17.995 -7.626 -5.210 3 HB2 LYS 1 HB2 LYS 1 -17.035 -10.155 -3.825 4 HB3 LYS 1 HB3 LYS 1 -17.441 -8.683 -2.975 5 HG2 LYS 1 HG2 LYS 1 -19.262 -10.196 -2.721 6 HG3 LYS 1 HG3 LYS 1 -19.787 -8.943 -3.831 7 HD2 LYS 1 HD2 LYS 1 -19.428 -10.471 -5.728 8 HD3 LYS 1 HD3 LYS 1 -18.835 -11.707 -4.617 9 HE2 LYS 1 HE2 LYS 1 -21.009 -11.761 -3.514 10 HE3 LYS 1 HE3 LYS 1 -21.592 -10.492 -4.582 11 HZ1 LYS 1 HZ1 LYS 1 -22.295 -12.702 -5.250 12 HZ2 LYS 1 HZ2 LYS 1 -20.709 -13.183 -5.497 13 HZ3 LYS 1 HZ3 LYS 1 -21.392 -11.972 -6.456 14 HA PRO 2 HA PRO 2 -13.697 -6.338 -5.336 15 HB2 PRO 2 HB2 PRO 2 -14.106 -3.750 -4.919 16 HB3 PRO 2 HB3 PRO 2 -14.661 -4.498 -6.424 17 HG2 PRO 2 HG2 PRO 2 -16.234 -3.807 -3.971 18 HG3 PRO 2 HG3 PRO 2 -16.650 -3.550 -5.675 19 HD2 PRO 2 HD2 PRO 2 -17.549 -5.659 -4.153 20 HD3 PRO 2 HD3 PRO 2 -17.432 -5.683 -5.926 21 H VAL 3 H VAL 3 -15.256 -7.220 -2.879 22 HA VAL 3 HA VAL 3 -14.045 -5.624 -0.772 23 HB VAL 3 HB VAL 3 -15.936 -7.994 -0.601 24 HG11 VAL 3 HG11 VAL 3 -16.266 -7.332 1.721 25 HG12 VAL 3 HG12 VAL 3 -15.046 -6.070 1.539 26 HG13 VAL 3 HG13 VAL 3 -14.589 -7.768 1.403 27 HG21 VAL 3 HG21 VAL 3 -17.660 -6.339 -0.021 28 HG22 VAL 3 HG22 VAL 3 -17.026 -6.088 -1.648 29 HG23 VAL 3 HG23 VAL 3 -16.503 -5.043 -0.327 30 H SER 4 H SER 4 -12.226 -6.300 0.190 31 HA SER 4 HA SER 4 -11.166 -8.874 -0.570 32 HB2 SER 4 HB2 SER 4 -9.758 -6.799 -0.728 33 HB3 SER 4 HB3 SER 4 -9.895 -6.604 1.014 34 HG SER 4 HG SER 4 -8.981 -9.039 0.026 35 H LEU 5 H LEU 5 -12.279 -10.358 0.639 36 HA LEU 5 HA LEU 5 -12.999 -9.909 3.351 37 HB2 LEU 5 HB2 LEU 5 -14.180 -11.462 1.678 38 HB3 LEU 5 HB3 LEU 5 -12.843 -12.562 1.877 39 HG LEU 5 HG LEU 5 -14.745 -11.775 4.102 40 HD11 LEU 5 HD11 LEU 5 -15.916 -12.975 2.367 41 HD12 LEU 5 HD12 LEU 5 -15.708 -13.990 3.792 42 HD13 LEU 5 HD13 LEU 5 -14.685 -14.238 2.373 43 HD21 LEU 5 HD21 LEU 5 -12.564 -12.534 4.922 44 HD22 LEU 5 HD22 LEU 5 -12.685 -13.979 3.923 45 HD23 LEU 5 HD23 LEU 5 -13.814 -13.732 5.257 46 H SER 6 H SER 6 -10.690 -12.158 1.821 47 HA SER 6 HA SER 6 -9.064 -12.147 4.205 48 HB2 SER 6 HB2 SER 6 -8.512 -13.255 1.423 49 HB3 SER 6 HB3 SER 6 -7.556 -13.584 2.872 50 HG SER 6 HG SER 6 -9.959 -14.148 3.550 51 H TYR 7 H TYR 7 -8.278 -10.180 4.558 52 HA TYR 7 HA TYR 7 -8.186 -8.192 2.644 53 HB2 TYR 7 HB2 TYR 7 -8.360 -8.042 5.198 54 HB3 TYR 7 HB3 TYR 7 -6.601 -8.063 5.185 55 HD1 TYR 7 HD1 TYR 7 -9.419 -6.339 3.485 56 HD2 TYR 7 HD2 TYR 7 -5.540 -5.979 5.188 57 HE1 TYR 7 HE1 TYR 7 -9.486 -3.931 3.082 58 HE2 TYR 7 HE2 TYR 7 -5.599 -3.553 4.791 59 HH TYR 7 HH TYR 7 -6.706 -1.965 3.425 60 H ARG 8 H ARG 8 -7.009 -7.995 1.055 61 HA ARG 8 HA ARG 8 -4.749 -9.455 0.357 62 HB2 ARG 8 HB2 ARG 8 -6.389 -8.386 -1.178 63 HB3 ARG 8 HB3 ARG 8 -5.685 -6.831 -0.804 64 HG2 ARG 8 HG2 ARG 8 -4.840 -7.506 -2.919 65 HG3 ARG 8 HG3 ARG 8 -3.522 -7.675 -1.766 66 HD2 ARG 8 HD2 ARG 8 -5.303 -9.935 -2.684 67 HD3 ARG 8 HD3 ARG 8 -3.730 -9.571 -3.379 68 HE ARG 8 HE ARG 8 -2.797 -10.037 -1.153 69 HH11 ARG 8 HH11 ARG 8 -5.947 -11.460 -2.006 70 HH12 ARG 8 HH12 ARG 8 -5.770 -12.799 -0.983 71 HH21 ARG 8 HH21 ARG 8 -2.573 -11.900 0.226 72 HH22 ARG 8 HH22 ARG 8 -3.801 -13.072 0.317 73 H CYS 9 H CYS 9 -4.763 -5.896 0.710 74 HA CYS 9 HA CYS 9 -2.101 -5.995 1.897 75 HB2 CYS 9 HB2 CYS 9 -2.856 -4.300 -0.516 76 HB3 CYS 9 HB3 CYS 9 -1.287 -4.342 0.271 77 HA PRO 10 HA PRO 10 -3.427 -2.735 4.666 78 HB2 PRO 10 HB2 PRO 10 -1.527 -0.955 3.174 79 HB3 PRO 10 HB3 PRO 10 -1.782 -1.095 4.919 80 HG2 PRO 10 HG2 PRO 10 0.287 -2.303 3.791 81 HG3 PRO 10 HG3 PRO 10 -0.643 -3.117 5.062 82 HD2 PRO 10 HD2 PRO 10 -0.573 -3.647 2.140 83 HD3 PRO 10 HD3 PRO 10 -0.910 -4.761 3.480 84 H CYS 11 H CYS 11 -2.791 -1.245 1.474 85 HA CYS 11 HA CYS 11 -5.494 -0.146 1.634 86 HB2 CYS 11 HB2 CYS 11 -3.074 1.041 0.243 87 HB3 CYS 11 HB3 CYS 11 -4.706 1.687 0.138 88 H ARG 12 H ARG 12 -6.780 -0.296 -0.145 89 HA ARG 12 HA ARG 12 -6.087 -2.422 -2.005 90 HB2 ARG 12 HB2 ARG 12 -8.288 -2.372 -0.843 91 HB3 ARG 12 HB3 ARG 12 -8.640 -0.840 -1.614 92 HG2 ARG 12 HG2 ARG 12 -9.830 -2.581 -2.751 93 HG3 ARG 12 HG3 ARG 12 -8.565 -1.974 -3.812 94 HD2 ARG 12 HD2 ARG 12 -7.166 -3.890 -3.290 95 HD3 ARG 12 HD3 ARG 12 -8.355 -4.473 -2.124 96 HE ARG 12 HE ARG 12 -9.274 -4.106 -4.842 97 HH11 ARG 12 HH11 ARG 12 -8.120 -6.403 -2.424 98 HH12 ARG 12 HH12 ARG 12 -8.696 -7.783 -3.252 99 HH21 ARG 12 HH21 ARG 12 -10.070 -5.968 -5.952 100 HH22 ARG 12 HH22 ARG 12 -9.835 -7.530 -5.316 101 H PHE 13 H PHE 13 -6.720 1.011 -1.843 102 HA PHE 13 HA PHE 13 -5.822 1.313 -4.605 103 HB2 PHE 13 HB2 PHE 13 -8.102 2.817 -3.288 104 HB3 PHE 13 HB3 PHE 13 -7.456 3.163 -4.878 105 HD1 PHE 13 HD1 PHE 13 -7.557 1.207 -6.590 106 HD2 PHE 13 HD2 PHE 13 -9.915 1.418 -3.055 107 HE1 PHE 13 HE1 PHE 13 -9.180 -0.348 -7.585 108 HE2 PHE 13 HE2 PHE 13 -11.538 -0.139 -4.038 109 HZ PHE 13 HZ PHE 13 -11.176 -1.024 -6.305 110 H PHE 14 H PHE 14 -4.831 3.363 -4.959 111 HA PHE 14 HA PHE 14 -3.705 4.507 -2.528 112 HB2 PHE 14 HB2 PHE 14 -2.897 4.903 -5.415 113 HB3 PHE 14 HB3 PHE 14 -2.082 5.594 -4.022 114 HD1 PHE 14 HD1 PHE 14 -1.553 3.607 -2.184 115 HD2 PHE 14 HD2 PHE 14 -1.792 3.206 -6.397 116 HE1 PHE 14 HE1 PHE 14 -0.069 1.648 -2.072 117 HE2 PHE 14 HE2 PHE 14 -0.328 1.271 -6.318 118 HZ PHE 14 HZ PHE 14 0.549 0.462 -4.145 119 H GLU 15 H GLU 15 -3.854 6.714 -2.127 120 HA GLU 15 HA GLU 15 -6.226 8.014 -2.827 121 HB2 GLU 15 HB2 GLU 15 -4.495 8.285 -0.919 122 HB3 GLU 15 HB3 GLU 15 -3.675 9.369 -2.019 123 HG2 GLU 15 HG2 GLU 15 -6.418 9.676 -0.833 124 HG3 GLU 15 HG3 GLU 15 -4.949 10.586 -0.483 125 H SER 16 H SER 16 -2.862 8.558 -3.784 126 HA SER 16 HA SER 16 -1.824 9.004 -5.724 127 HB2 SER 16 HB2 SER 16 -3.241 7.356 -6.761 128 HB3 SER 16 HB3 SER 16 -4.538 8.530 -6.969 129 HG SER 16 HG SER 16 -2.861 9.711 -8.255 130 H HIS 17 H HIS 17 -4.044 11.178 -4.426 131 HA HIS 17 HA HIS 17 -3.217 13.196 -6.389 132 HB2 HIS 17 HB2 HIS 17 -5.697 13.129 -4.650 133 HB3 HIS 17 HB3 HIS 17 -5.244 14.465 -5.707 134 HD1 HIS 17 HD1 HIS 17 -5.113 13.795 -8.326 135 HD2 HIS 17 HD2 HIS 17 -7.172 11.194 -5.842 136 HE1 HIS 17 HE1 HIS 17 -6.437 12.338 -9.845 137 HE2 HIS 17 HE2 HIS 17 -7.948 11.086 -8.308 138 H VAL 18 H VAL 18 -1.766 12.235 -4.160 139 HA VAL 18 HA VAL 18 -2.077 14.181 -2.010 140 HB VAL 18 HB VAL 18 -0.103 11.905 -2.248 141 HG11 VAL 18 HG11 VAL 18 0.037 12.073 0.187 142 HG12 VAL 18 HG12 VAL 18 -1.049 13.460 0.141 143 HG13 VAL 18 HG13 VAL 18 0.536 13.559 -0.622 144 HG21 VAL 18 HG21 VAL 18 -2.335 10.999 -2.379 145 HG22 VAL 18 HG22 VAL 18 -2.815 11.890 -0.938 146 HG23 VAL 18 HG23 VAL 18 -1.613 10.603 -0.818 147 H ALA 19 H ALA 19 -0.753 15.865 -1.830 148 HA ALA 19 HA ALA 19 1.542 16.080 -3.639 149 HB1 ALA 19 HB1 ALA 19 -0.197 17.805 -3.863 150 HB2 ALA 19 HB2 ALA 19 1.327 18.491 -3.316 151 HB3 ALA 19 HB3 ALA 19 0.017 18.231 -2.165 152 H ARG 20 H ARG 20 3.523 16.883 -2.789 153 HA ARG 20 HA ARG 20 4.479 15.747 -0.465 154 HB2 ARG 20 HB2 ARG 20 5.894 16.452 -2.304 155 HB3 ARG 20 HB3 ARG 20 5.499 18.133 -2.007 156 HG2 ARG 20 HG2 ARG 20 7.737 17.573 -1.237 157 HG3 ARG 20 HG3 ARG 20 6.706 18.046 0.122 158 HD2 ARG 20 HD2 ARG 20 6.418 15.709 0.704 159 HD3 ARG 20 HD3 ARG 20 7.348 15.237 -0.717 160 HE ARG 20 HE ARG 20 9.075 16.841 0.564 161 HH11 ARG 20 HH11 ARG 20 7.220 14.114 1.850 162 HH12 ARG 20 HH12 ARG 20 8.444 13.668 2.964 163 HH21 ARG 20 HH21 ARG 20 10.689 16.209 2.069 164 HH22 ARG 20 HH22 ARG 20 10.437 14.861 3.093 165 H ALA 21 H ALA 21 3.255 19.004 -0.964 166 HA ALA 21 HA ALA 21 3.969 19.935 1.645 167 HB1 ALA 21 HB1 ALA 21 2.071 21.085 -0.360 168 HB2 ALA 21 HB2 ALA 21 3.797 21.437 -0.250 169 HB3 ALA 21 HB3 ALA 21 2.706 21.911 1.065 170 H ASN 22 H ASN 22 1.223 18.297 0.322 171 HA ASN 22 HA ASN 22 -0.501 19.076 2.537 172 HB2 ASN 22 HB2 ASN 22 -1.431 18.936 0.226 173 HB3 ASN 22 HB3 ASN 22 -1.051 17.228 0.192 174 HD21 ASN 22 HD21 ASN 22 -3.231 16.782 -0.231 175 HD22 ASN 22 HD22 ASN 22 -4.448 16.834 0.993 176 H VAL 23 H VAL 23 1.919 17.029 2.191 177 HA VAL 23 HA VAL 23 0.726 14.808 3.616 178 HB VAL 23 HB VAL 23 3.585 15.228 2.770 179 HG11 VAL 23 HG11 VAL 23 2.304 12.868 4.086 180 HG12 VAL 23 HG12 VAL 23 3.576 13.896 4.730 181 HG13 VAL 23 HG13 VAL 23 3.899 12.863 3.340 182 HG21 VAL 23 HG21 VAL 23 1.446 13.424 1.669 183 HG22 VAL 23 HG22 VAL 23 3.123 13.451 1.139 184 HG23 VAL 23 HG23 VAL 23 2.101 14.856 0.882 185 H LYS 24 H LYS 24 0.469 14.878 5.616 186 HA LYS 24 HA LYS 24 1.683 16.650 7.505 187 HB2 LYS 24 HB2 LYS 24 -0.651 15.521 7.516 188 HB3 LYS 24 HB3 LYS 24 0.194 14.087 8.059 189 HG2 LYS 24 HG2 LYS 24 -0.463 14.973 10.039 190 HG3 LYS 24 HG3 LYS 24 1.146 15.697 9.866 191 HD2 LYS 24 HD2 LYS 24 -0.149 17.609 10.346 192 HD3 LYS 24 HD3 LYS 24 -0.114 17.473 8.565 193 HE2 LYS 24 HE2 LYS 24 -2.400 17.953 9.319 194 HE3 LYS 24 HE3 LYS 24 -2.243 16.393 8.507 195 HZ1 LYS 24 HZ1 LYS 24 -2.420 16.824 11.436 196 HZ2 LYS 24 HZ2 LYS 24 -2.232 15.317 10.727 197 HZ3 LYS 24 HZ3 LYS 24 -3.633 16.226 10.476 198 H HIS 25 H HIS 25 1.573 13.209 6.929 199 HA HIS 25 HA HIS 25 4.056 12.640 8.426 200 HB2 HIS 25 HB2 HIS 25 2.176 11.964 9.748 201 HB3 HIS 25 HB3 HIS 25 1.363 11.283 8.356 202 HD1 HIS 25 HD1 HIS 25 3.535 10.429 11.154 203 HD2 HIS 25 HD2 HIS 25 2.526 8.799 7.473 204 HE1 HIS 25 HE1 HIS 25 4.134 8.001 11.324 205 HE2 HIS 25 HE2 HIS 25 3.165 7.002 9.245 206 H LEU 26 H LEU 26 5.527 11.522 7.152 207 HA LEU 26 HA LEU 26 4.554 10.131 4.711 208 HB2 LEU 26 HB2 LEU 26 5.884 12.345 4.472 209 HB3 LEU 26 HB3 LEU 26 7.248 11.407 5.028 210 HG LEU 26 HG LEU 26 7.351 11.586 2.716 211 HD11 LEU 26 HD11 LEU 26 6.452 8.815 3.355 212 HD12 LEU 26 HD12 LEU 26 8.107 9.455 3.421 213 HD13 LEU 26 HD13 LEU 26 7.259 9.308 1.873 214 HD21 LEU 26 HD21 LEU 26 5.680 10.708 1.157 215 HD22 LEU 26 HD22 LEU 26 5.179 12.136 2.042 216 HD23 LEU 26 HD23 LEU 26 4.548 10.539 2.505 217 H LYS 27 H LYS 27 4.745 7.989 5.144 218 HA LYS 27 HA LYS 27 7.106 6.988 6.625 219 HB2 LYS 27 HB2 LYS 27 4.690 7.144 7.707 220 HB3 LYS 27 HB3 LYS 27 4.369 5.778 6.682 221 HG2 LYS 27 HG2 LYS 27 6.276 5.926 9.023 222 HG3 LYS 27 HG3 LYS 27 4.768 5.044 8.888 223 HD2 LYS 27 HD2 LYS 27 6.305 3.327 8.632 224 HD3 LYS 27 HD3 LYS 27 6.018 3.833 6.961 225 HE2 LYS 27 HE2 LYS 27 8.016 5.074 6.875 226 HE3 LYS 27 HE3 LYS 27 8.298 4.920 8.608 227 HZ1 LYS 27 HZ1 LYS 27 9.720 3.420 7.400 228 HZ2 LYS 27 HZ2 LYS 27 8.401 2.740 6.584 229 HZ3 LYS 27 HZ3 LYS 27 8.581 2.517 8.249 230 H ILE 28 H ILE 28 8.143 5.578 5.140 231 HA ILE 28 HA ILE 28 6.589 4.659 2.846 232 HB ILE 28 HB ILE 28 9.522 4.079 3.419 233 HG12 ILE 28 HG12 ILE 28 8.221 6.330 1.927 234 HG13 ILE 28 HG13 ILE 28 9.259 6.474 3.353 235 HG21 ILE 28 HG21 ILE 28 8.070 2.807 1.552 236 HG22 ILE 28 HG22 ILE 28 9.685 3.506 1.134 237 HG23 ILE 28 HG23 ILE 28 8.297 4.439 0.817 238 HD11 ILE 28 HD11 ILE 28 11.038 5.358 1.831 239 HD12 ILE 28 HD12 ILE 28 10.598 7.060 1.493 240 HD13 ILE 28 HD13 ILE 28 9.859 5.783 0.565 241 H LEU 29 H LEU 29 5.719 2.624 2.664 242 HA LEU 29 HA LEU 29 6.548 0.657 4.647 243 HB2 LEU 29 HB2 LEU 29 3.905 0.974 3.249 244 HB3 LEU 29 HB3 LEU 29 4.325 -0.400 4.224 245 HG LEU 29 HG LEU 29 3.940 2.437 5.182 246 HD11 LEU 29 HD11 LEU 29 1.891 1.199 4.725 247 HD12 LEU 29 HD12 LEU 29 2.107 1.465 6.455 248 HD13 LEU 29 HD13 LEU 29 2.454 -0.116 5.748 249 HD21 LEU 29 HD21 LEU 29 4.347 1.559 7.437 250 HD22 LEU 29 HD22 LEU 29 5.784 1.418 6.423 251 HD23 LEU 29 HD23 LEU 29 4.790 -0.002 6.745 252 H ASN 30 H ASN 30 6.948 -1.345 4.062 253 HA ASN 30 HA ASN 30 6.593 -2.040 1.296 254 HB2 ASN 30 HB2 ASN 30 8.743 -3.392 1.361 255 HB3 ASN 30 HB3 ASN 30 8.969 -1.658 1.387 256 HD21 ASN 30 HD21 ASN 30 10.999 -1.783 2.269 257 HD22 ASN 30 HD22 ASN 30 11.301 -2.298 3.891 258 H THR 31 H THR 31 5.568 -3.857 0.956 259 HA THR 31 HA THR 31 5.099 -5.501 3.317 260 HB THR 31 HB THR 31 2.866 -6.079 2.198 261 HG1 THR 31 HG1 THR 31 3.871 -4.300 0.383 262 HG21 THR 31 HG21 THR 31 3.030 -4.680 4.192 263 HG22 THR 31 HG22 THR 31 1.783 -4.064 3.103 264 HG23 THR 31 HG23 THR 31 3.352 -3.266 3.181 265 HA PRO 32 HA PRO 32 7.349 -8.681 1.218 266 HB2 PRO 32 HB2 PRO 32 5.663 -10.391 2.985 267 HB3 PRO 32 HB3 PRO 32 7.414 -10.418 2.735 268 HG2 PRO 32 HG2 PRO 32 6.438 -9.335 4.927 269 HG3 PRO 32 HG3 PRO 32 7.767 -8.545 4.063 270 HD2 PRO 32 HD2 PRO 32 4.869 -7.820 4.134 271 HD3 PRO 32 HD3 PRO 32 6.306 -6.781 4.123 272 H ASN 33 H ASN 33 3.843 -9.138 1.628 273 HA ASN 33 HA ASN 33 3.873 -10.981 -0.661 274 HB2 ASN 33 HB2 ASN 33 1.626 -10.445 1.294 275 HB3 ASN 33 HB3 ASN 33 1.636 -11.646 0.012 276 HD21 ASN 33 HD21 ASN 33 2.764 -10.808 3.142 277 HD22 ASN 33 HD22 ASN 33 3.436 -12.348 3.546 278 H CYS 34 H CYS 34 3.727 -7.835 -0.408 279 HA CYS 34 HA CYS 34 1.805 -7.590 -2.584 280 HB2 CYS 34 HB2 CYS 34 1.950 -5.780 -0.156 281 HB3 CYS 34 HB3 CYS 34 1.011 -5.428 -1.592 282 H ALA 35 H ALA 35 2.111 -4.869 -3.008 283 HA ALA 35 HA ALA 35 4.893 -4.720 -3.859 284 HB1 ALA 35 HB1 ALA 35 4.074 -2.887 -5.272 285 HB2 ALA 35 HB2 ALA 35 2.491 -3.035 -4.515 286 HB3 ALA 35 HB3 ALA 35 3.122 -4.351 -5.512 287 H LEU 36 H LEU 36 5.114 -1.936 -4.015 288 HA LEU 36 HA LEU 36 5.537 -1.307 -1.234 289 HB2 LEU 36 HB2 LEU 36 6.388 0.057 -3.771 290 HB3 LEU 36 HB3 LEU 36 6.541 0.824 -2.211 291 HG LEU 36 HG LEU 36 8.632 -0.105 -2.947 292 HD11 LEU 36 HD11 LEU 36 7.478 -1.617 -0.626 293 HD12 LEU 36 HD12 LEU 36 8.197 -0.008 -0.575 294 HD13 LEU 36 HD13 LEU 36 9.191 -1.412 -0.977 295 HD21 LEU 36 HD21 LEU 36 7.160 -2.663 -2.869 296 HD22 LEU 36 HD22 LEU 36 8.927 -2.575 -3.053 297 HD23 LEU 36 HD23 LEU 36 7.843 -1.927 -4.320 298 H GLN 37 H GLN 37 4.915 0.420 -0.317 299 HA GLN 37 HA GLN 37 3.005 2.183 -1.515 300 HB2 GLN 37 HB2 GLN 37 1.193 1.924 0.144 301 HB3 GLN 37 HB3 GLN 37 1.469 0.497 -0.825 302 HG2 GLN 37 HG2 GLN 37 2.416 0.807 1.992 303 HG3 GLN 37 HG3 GLN 37 0.887 0.095 1.493 304 HE21 GLN 37 HE21 GLN 37 0.901 -1.867 0.371 305 HE22 GLN 37 HE22 GLN 37 2.273 -2.924 0.441 306 H ILE 38 H ILE 38 3.430 4.118 -0.989 307 HA ILE 38 HA ILE 38 4.928 4.554 1.463 308 HB ILE 38 HB ILE 38 4.430 6.442 -0.875 309 HG12 ILE 38 HG12 ILE 38 6.778 4.741 -0.081 310 HG13 ILE 38 HG13 ILE 38 5.799 4.565 -1.521 311 HG21 ILE 38 HG21 ILE 38 6.173 7.833 0.167 312 HG22 ILE 38 HG22 ILE 38 6.262 6.698 1.513 313 HG23 ILE 38 HG23 ILE 38 4.791 7.638 1.250 314 HD11 ILE 38 HD11 ILE 38 6.652 6.756 -2.301 315 HD12 ILE 38 HD12 ILE 38 7.904 5.521 -2.095 316 HD13 ILE 38 HD13 ILE 38 7.737 6.766 -0.877 317 H VAL 39 H VAL 39 4.021 5.567 3.126 318 HA VAL 39 HA VAL 39 1.183 6.161 2.757 319 HB VAL 39 HB VAL 39 2.644 5.298 5.281 320 HG11 VAL 39 HG11 VAL 39 0.860 6.884 5.839 321 HG12 VAL 39 HG12 VAL 39 0.441 5.245 6.348 322 HG13 VAL 39 HG13 VAL 39 -0.283 5.935 4.895 323 HG21 VAL 39 HG21 VAL 39 1.231 3.315 5.082 324 HG22 VAL 39 HG22 VAL 39 2.262 3.521 3.662 325 HG23 VAL 39 HG23 VAL 39 0.554 3.948 3.585 326 H ALA 40 H ALA 40 0.417 8.041 3.078 327 HA ALA 40 HA ALA 40 2.012 10.003 4.541 328 HB1 ALA 40 HB1 ALA 40 1.309 11.692 2.956 329 HB2 ALA 40 HB2 ALA 40 0.492 10.430 2.013 330 HB3 ALA 40 HB3 ALA 40 2.269 10.417 2.214 331 H ARG 41 H ARG 41 0.785 11.493 5.600 332 HA ARG 41 HA ARG 41 -2.052 10.900 5.588 333 HB2 ARG 41 HB2 ARG 41 -0.988 10.392 7.723 334 HB3 ARG 41 HB3 ARG 41 -0.421 12.055 7.813 335 HG2 ARG 41 HG2 ARG 41 -2.589 12.891 8.071 336 HG3 ARG 41 HG3 ARG 41 -3.317 11.325 7.678 337 HD2 ARG 41 HD2 ARG 41 -2.357 10.342 9.503 338 HD3 ARG 41 HD3 ARG 41 -1.472 11.818 9.945 339 HE ARG 41 HE ARG 41 -4.274 12.283 9.811 340 HH11 ARG 41 HH11 ARG 41 -1.882 10.746 11.950 341 HH12 ARG 41 HH12 ARG 41 -2.764 11.070 13.358 342 HH21 ARG 41 HH21 ARG 41 -5.433 12.736 11.765 343 HH22 ARG 41 HH22 ARG 41 -4.816 12.205 13.262 344 H LEU 42 H LEU 42 -3.422 12.438 5.241 345 HA LEU 42 HA LEU 42 -2.411 14.727 3.815 346 HB2 LEU 42 HB2 LEU 42 -5.159 13.811 4.535 347 HB3 LEU 42 HB3 LEU 42 -4.951 15.138 3.445 348 HG LEU 42 HG LEU 42 -4.122 12.274 3.031 349 HD11 LEU 42 HD11 LEU 42 -6.460 12.709 2.736 350 HD12 LEU 42 HD12 LEU 42 -5.687 12.425 1.160 351 HD13 LEU 42 HD13 LEU 42 -6.072 14.070 1.690 352 HD21 LEU 42 HD21 LEU 42 -3.388 12.969 0.795 353 HD22 LEU 42 HD22 LEU 42 -2.403 13.676 2.062 354 HD23 LEU 42 HD23 LEU 42 -3.630 14.658 1.246 355 H LYS 43 H LYS 43 -2.405 16.869 4.339 356 HA LYS 43 HA LYS 43 -2.661 17.668 7.076 357 HB2 LYS 43 HB2 LYS 43 -2.120 19.205 4.578 358 HB3 LYS 43 HB3 LYS 43 -2.313 19.974 6.144 359 HG2 LYS 43 HG2 LYS 43 -0.502 18.367 6.917 360 HG3 LYS 43 HG3 LYS 43 -0.180 18.129 5.193 361 HD2 LYS 43 HD2 LYS 43 0.234 20.442 4.866 362 HD3 LYS 43 HD3 LYS 43 -0.340 20.830 6.490 363 HE2 LYS 43 HE2 LYS 43 1.963 20.884 6.710 364 HE3 LYS 43 HE3 LYS 43 1.356 19.299 7.269 365 HZ1 LYS 43 HZ1 LYS 43 2.198 18.223 5.333 366 HZ2 LYS 43 HZ2 LYS 43 3.428 19.226 5.860 367 HZ3 LYS 43 HZ3 LYS 43 2.490 19.690 4.557 368 H ASN 44 H ASN 44 -4.438 18.220 4.085 369 HA ASN 44 HA ASN 44 -6.297 20.079 5.280 370 HB2 ASN 44 HB2 ASN 44 -5.638 20.271 2.915 371 HB3 ASN 44 HB3 ASN 44 -6.331 18.697 2.595 372 HD21 ASN 44 HD21 ASN 44 -7.855 21.124 4.665 373 HD22 ASN 44 HD22 ASN 44 -9.176 21.408 3.604 374 H ASN 45 H ASN 45 -6.408 16.785 4.139 375 HA ASN 45 HA ASN 45 -9.167 16.511 5.022 376 HB2 ASN 45 HB2 ASN 45 -8.564 15.715 2.800 377 HB3 ASN 45 HB3 ASN 45 -7.350 14.653 3.479 378 HD21 ASN 45 HD21 ASN 45 -8.290 12.951 2.403 379 HD22 ASN 45 HD22 ASN 45 -9.747 12.222 2.955 380 H ASN 46 H ASN 46 -6.060 15.917 6.194 381 HA ASN 46 HA ASN 46 -5.159 14.992 8.033 382 HB2 ASN 46 HB2 ASN 46 -7.007 16.343 9.112 383 HB3 ASN 46 HB3 ASN 46 -7.983 14.881 9.145 384 HD21 ASN 46 HD21 ASN 46 -8.124 14.891 11.380 385 HD22 ASN 46 HD22 ASN 46 -6.802 14.527 12.420 386 H ARG 47 H ARG 47 -6.578 13.182 5.917 387 HA ARG 47 HA ARG 47 -7.104 10.760 7.306 388 HB2 ARG 47 HB2 ARG 47 -8.578 11.294 5.587 389 HB3 ARG 47 HB3 ARG 47 -7.291 11.834 4.525 390 HG2 ARG 47 HG2 ARG 47 -6.464 9.757 4.405 391 HG3 ARG 47 HG3 ARG 47 -7.747 9.012 5.387 392 HD2 ARG 47 HD2 ARG 47 -9.395 9.913 3.661 393 HD3 ARG 47 HD3 ARG 47 -8.015 10.402 2.680 394 HE ARG 47 HE ARG 47 -8.127 7.608 3.406 395 HH11 ARG 47 HH11 ARG 47 -8.872 10.024 0.868 396 HH12 ARG 47 HH12 ARG 47 -8.986 8.856 -0.353 397 HH21 ARG 47 HH21 ARG 47 -8.311 6.026 1.638 398 HH22 ARG 47 HH22 ARG 47 -8.684 6.583 0.089 399 H GLN 48 H GLN 48 -5.690 8.998 7.310 400 HA GLN 48 HA GLN 48 -3.048 9.336 6.263 401 HB2 GLN 48 HB2 GLN 48 -3.605 8.293 8.445 402 HB3 GLN 48 HB3 GLN 48 -4.391 6.976 7.578 403 HG2 GLN 48 HG2 GLN 48 -2.225 6.601 6.439 404 HG3 GLN 48 HG3 GLN 48 -1.546 7.788 7.543 405 HE21 GLN 48 HE21 GLN 48 -0.148 6.263 8.522 406 HE22 GLN 48 HE22 GLN 48 -0.746 5.061 9.584 407 H VAL 49 H VAL 49 -2.406 8.489 4.334 408 HA VAL 49 HA VAL 49 -4.269 6.751 2.870 409 HB VAL 49 HB VAL 49 -3.781 8.027 0.828 410 HG11 VAL 49 HG11 VAL 49 -5.862 8.432 2.077 411 HG12 VAL 49 HG12 VAL 49 -5.285 9.923 1.335 412 HG13 VAL 49 HG13 VAL 49 -5.021 9.634 3.053 413 HG21 VAL 49 HG21 VAL 49 -1.725 9.126 1.443 414 HG22 VAL 49 HG22 VAL 49 -2.558 10.043 2.700 415 HG23 VAL 49 HG23 VAL 49 -2.931 10.332 1.000 416 H CYS 50 H CYS 50 -3.350 5.613 1.112 417 HA CYS 50 HA CYS 50 -0.475 5.249 1.314 418 HB2 CYS 50 HB2 CYS 50 -2.630 3.537 0.042 419 HB3 CYS 50 HB3 CYS 50 -0.909 3.193 -0.073 420 H ILE 51 H ILE 51 0.812 5.833 -0.274 421 HA ILE 51 HA ILE 51 -0.333 7.377 -2.448 422 HB ILE 51 HB ILE 51 2.433 7.249 -1.263 423 HG12 ILE 51 HG12 ILE 51 0.363 9.435 -1.255 424 HG13 ILE 51 HG13 ILE 51 0.803 8.426 0.127 425 HG21 ILE 51 HG21 ILE 51 2.651 7.673 -3.598 426 HG22 ILE 51 HG22 ILE 51 2.929 9.175 -2.682 427 HG23 ILE 51 HG23 ILE 51 1.376 8.894 -3.495 428 HD11 ILE 51 HD11 ILE 51 2.599 10.337 -1.331 429 HD12 ILE 51 HD12 ILE 51 3.057 9.366 0.072 430 HD13 ILE 51 HD13 ILE 51 1.830 10.629 0.222 431 H ASP 52 H ASP 52 0.082 6.994 -4.531 432 HA ASP 52 HA ASP 52 0.983 4.436 -5.430 433 HB2 ASP 52 HB2 ASP 52 -0.832 5.757 -6.512 434 HB3 ASP 52 HB3 ASP 52 0.352 6.958 -6.975 435 HA PRO 53 HA PRO 53 5.312 5.749 -5.299 436 HB2 PRO 53 HB2 PRO 53 6.338 3.676 -6.771 437 HB3 PRO 53 HB3 PRO 53 5.913 3.562 -5.058 438 HG2 PRO 53 HG2 PRO 53 4.300 2.787 -7.458 439 HG3 PRO 53 HG3 PRO 53 4.587 1.870 -5.967 440 HD2 PRO 53 HD2 PRO 53 2.309 3.176 -6.302 441 HD3 PRO 53 HD3 PRO 53 3.137 3.214 -4.723 442 H LYS 54 H LYS 54 3.437 5.577 -8.137 443 HA LYS 54 HA LYS 54 5.604 6.286 -9.857 444 HB2 LYS 54 HB2 LYS 54 2.686 5.990 -10.397 445 HB3 LYS 54 HB3 LYS 54 3.861 6.499 -11.614 446 HG2 LYS 54 HG2 LYS 54 5.079 4.435 -11.361 447 HG3 LYS 54 HG3 LYS 54 4.006 3.930 -10.056 448 HD2 LYS 54 HD2 LYS 54 3.452 2.850 -12.127 449 HD3 LYS 54 HD3 LYS 54 2.149 3.913 -11.576 450 HE2 LYS 54 HE2 LYS 54 2.872 5.624 -13.176 451 HE3 LYS 54 HE3 LYS 54 4.182 4.579 -13.721 452 HZ1 LYS 54 HZ1 LYS 54 1.289 3.950 -13.947 453 HZ2 LYS 54 HZ2 LYS 54 2.533 3.019 -14.574 454 HZ3 LYS 54 HZ3 LYS 54 2.226 4.572 -15.181 455 H LEU 55 H LEU 55 3.702 8.055 -7.708 456 HA LEU 55 HA LEU 55 3.412 10.531 -9.086 457 HB2 LEU 55 HB2 LEU 55 3.901 9.839 -6.225 458 HB3 LEU 55 HB3 LEU 55 3.697 11.497 -6.685 459 HG LEU 55 HG LEU 55 1.632 9.253 -6.841 460 HD11 LEU 55 HD11 LEU 55 0.442 10.547 -5.216 461 HD12 LEU 55 HD12 LEU 55 1.647 11.834 -5.294 462 HD13 LEU 55 HD13 LEU 55 2.084 10.259 -4.637 463 HD21 LEU 55 HD21 LEU 55 1.380 10.736 -8.783 464 HD22 LEU 55 HD22 LEU 55 1.383 12.128 -7.693 465 HD23 LEU 55 HD23 LEU 55 0.070 10.954 -7.619 466 H LYS 56 H LYS 56 4.792 12.093 -9.673 467 HA LYS 56 HA LYS 56 7.495 11.333 -9.862 468 HB2 LYS 56 HB2 LYS 56 6.410 12.768 -11.575 469 HB3 LYS 56 HB3 LYS 56 6.358 14.083 -10.413 470 HG2 LYS 56 HG2 LYS 56 8.812 14.073 -10.288 471 HG3 LYS 56 HG3 LYS 56 8.856 12.774 -11.477 472 HD2 LYS 56 HD2 LYS 56 7.715 14.276 -13.091 473 HD3 LYS 56 HD3 LYS 56 7.783 15.562 -11.887 474 HE2 LYS 56 HE2 LYS 56 10.176 14.160 -13.093 475 HE3 LYS 56 HE3 LYS 56 9.598 15.762 -13.541 476 HZ1 LYS 56 HZ1 LYS 56 11.443 15.898 -12.046 477 HZ2 LYS 56 HZ2 LYS 56 10.710 14.934 -10.905 478 HZ3 LYS 56 HZ3 LYS 56 10.084 16.468 -11.239 479 H TRP 57 H TRP 57 5.847 13.619 -7.705 480 HA TRP 57 HA TRP 57 8.262 14.596 -6.571 481 HB2 TRP 57 HB2 TRP 57 6.977 15.510 -4.741 482 HB3 TRP 57 HB3 TRP 57 6.055 15.769 -6.199 483 HD1 TRP 57 HD1 TRP 57 3.676 14.432 -6.363 484 HE1 TRP 57 HE1 TRP 57 2.235 13.344 -4.492 485 HE3 TRP 57 HE3 TRP 57 7.146 14.140 -2.619 486 HZ2 TRP 57 HZ2 TRP 57 2.513 12.469 -1.923 487 HZ3 TRP 57 HZ3 TRP 57 6.487 13.156 -0.477 488 HH2 TRP 57 HH2 TRP 57 4.240 12.321 -0.109 489 H ILE 58 H ILE 58 6.479 11.741 -6.126 490 HA ILE 58 HA ILE 58 7.653 10.859 -3.714 491 HB ILE 58 HB ILE 58 6.073 9.600 -5.914 492 HG12 ILE 58 HG12 ILE 58 4.909 10.903 -4.210 493 HG13 ILE 58 HG13 ILE 58 4.426 9.209 -4.203 494 HG21 ILE 58 HG21 ILE 58 7.316 8.063 -3.680 495 HG22 ILE 58 HG22 ILE 58 7.601 7.877 -5.422 496 HG23 ILE 58 HG23 ILE 58 6.006 7.497 -4.739 497 HD11 ILE 58 HD11 ILE 58 4.670 10.067 -1.954 498 HD12 ILE 58 HD12 ILE 58 6.349 10.497 -2.270 499 HD13 ILE 58 HD13 ILE 58 5.854 8.804 -2.291 500 H GLN 59 H GLN 59 8.298 10.438 -7.114 501 HA GLN 59 HA GLN 59 10.480 8.693 -6.667 502 HB2 GLN 59 HB2 GLN 59 9.788 10.309 -9.125 503 HB3 GLN 59 HB3 GLN 59 10.942 8.978 -9.063 504 HG2 GLN 59 HG2 GLN 59 9.160 7.445 -8.392 505 HG3 GLN 59 HG3 GLN 59 8.001 8.764 -8.453 506 HE21 GLN 59 HE21 GLN 59 7.997 6.292 -9.845 507 HE22 GLN 59 HE22 GLN 59 7.975 6.630 -11.534 508 H GLU 60 H GLU 60 10.141 12.172 -7.031 509 HA GLU 60 HA GLU 60 12.859 12.951 -7.005 510 HB2 GLU 60 HB2 GLU 60 10.600 14.316 -5.512 511 HB3 GLU 60 HB3 GLU 60 12.103 15.052 -6.028 512 HG2 GLU 60 HG2 GLU 60 9.858 14.106 -7.793 513 HG3 GLU 60 HG3 GLU 60 10.261 15.777 -7.398 514 H TYR 61 H TYR 61 10.513 12.383 -4.459 515 HA TYR 61 HA TYR 61 12.081 12.720 -2.214 516 HB2 TYR 61 HB2 TYR 61 9.711 12.630 -1.961 517 HB3 TYR 61 HB3 TYR 61 9.618 11.063 -2.739 518 HD1 TYR 61 HD1 TYR 61 11.275 12.606 0.249 519 HD2 TYR 61 HD2 TYR 61 9.203 9.265 -1.387 520 HE1 TYR 61 HE1 TYR 61 11.363 11.482 2.430 521 HE2 TYR 61 HE2 TYR 61 9.280 8.126 0.747 522 HH TYR 61 HH TYR 61 10.733 8.219 2.818 523 H LEU 62 H LEU 62 11.418 9.739 -4.022 524 HA LEU 62 HA LEU 62 12.972 8.002 -2.474 525 HB2 LEU 62 HB2 LEU 62 12.399 7.910 -5.424 526 HB3 LEU 62 HB3 LEU 62 13.065 6.579 -4.498 527 HG LEU 62 HG LEU 62 10.334 7.797 -4.133 528 HD11 LEU 62 HD11 LEU 62 11.182 5.154 -5.292 529 HD12 LEU 62 HD12 LEU 62 10.510 6.533 -6.173 530 HD13 LEU 62 HD13 LEU 62 9.517 5.673 -4.994 531 HD21 LEU 62 HD21 LEU 62 9.952 5.940 -2.589 532 HD22 LEU 62 HD22 LEU 62 11.248 7.005 -2.043 533 HD23 LEU 62 HD23 LEU 62 11.642 5.449 -2.774 534 H GLU 63 H GLU 63 13.846 9.774 -5.390 535 HA GLU 63 HA GLU 63 16.500 9.046 -5.644 536 HB2 GLU 63 HB2 GLU 63 15.204 11.712 -6.187 537 HB3 GLU 63 HB3 GLU 63 16.866 11.357 -6.618 538 HG2 GLU 63 HG2 GLU 63 14.455 9.861 -7.624 539 HG3 GLU 63 HG3 GLU 63 15.307 11.134 -8.498 540 H LYS 64 H LYS 64 15.161 11.574 -3.601 541 HA LYS 64 HA LYS 64 17.827 12.211 -2.645 542 HB2 LYS 64 HB2 LYS 64 15.204 13.511 -2.242 543 HB3 LYS 64 HB3 LYS 64 16.741 14.099 -1.588 544 HG2 LYS 64 HG2 LYS 64 17.662 14.203 -3.844 545 HG3 LYS 64 HG3 LYS 64 16.113 13.666 -4.493 546 HD2 LYS 64 HD2 LYS 64 15.070 15.592 -3.498 547 HD3 LYS 64 HD3 LYS 64 16.691 16.056 -2.912 548 HE2 LYS 64 HE2 LYS 64 17.518 16.299 -5.158 549 HE3 LYS 64 HE3 LYS 64 16.020 15.675 -5.829 550 HZ1 LYS 64 HZ1 LYS 64 16.302 18.268 -4.381 551 HZ2 LYS 64 HZ2 LYS 64 14.875 17.632 -5.059 552 HZ3 LYS 64 HZ3 LYS 64 16.145 18.041 -6.042 553 H ALA 65 H ALA 65 15.659 9.988 -1.768 554 HA ALA 65 HA ALA 65 16.254 10.226 1.106 555 HB1 ALA 65 HB1 ALA 65 13.882 9.810 0.542 556 HB2 ALA 65 HB2 ALA 65 14.588 8.445 1.418 557 HB3 ALA 65 HB3 ALA 65 14.364 8.348 -0.324 558 H LEU 66 H LEU 66 16.577 8.263 -1.713 559 HA LEU 66 HA LEU 66 18.109 6.245 -0.315 560 HB2 LEU 66 HB2 LEU 66 17.448 6.491 -3.250 561 HB3 LEU 66 HB3 LEU 66 18.147 5.086 -2.463 562 HG LEU 66 HG LEU 66 15.372 6.183 -2.011 563 HD11 LEU 66 HD11 LEU 66 15.549 5.088 -4.128 564 HD12 LEU 66 HD12 LEU 66 14.610 4.106 -3.012 565 HD13 LEU 66 HD13 LEU 66 16.279 3.669 -3.373 566 HD21 LEU 66 HD21 LEU 66 16.225 5.257 0.052 567 HD22 LEU 66 HD22 LEU 66 16.723 3.780 -0.774 568 HD23 LEU 66 HD23 LEU 66 15.008 4.178 -0.629 569 H ASN 67 H ASN 67 18.640 8.643 -2.921 570 HA ASN 67 HA ASN 67 21.488 8.290 -2.515 571 HB2 ASN 67 HB2 ASN 67 20.817 8.449 -4.857 572 HB3 ASN 67 HB3 ASN 67 19.981 9.964 -4.542 573 HD21 ASN 67 HD21 ASN 67 21.198 11.075 -6.056 574 HD22 ASN 67 HD22 ASN 67 22.860 11.492 -5.811 575 H LYS 68 H LYS 68 21.526 9.014 -0.474 576 HA LYS 68 HA LYS 68 22.232 11.709 -0.138 577 HB2 LYS 68 HB2 LYS 68 19.611 11.653 0.022 578 HB3 LYS 68 HB3 LYS 68 19.858 10.755 1.495 579 HG2 LYS 68 HG2 LYS 68 20.823 13.574 1.004 580 HG3 LYS 68 HG3 LYS 68 19.324 13.173 1.821 581 HD2 LYS 68 HD2 LYS 68 20.821 13.697 3.573 582 HD3 LYS 68 HD3 LYS 68 20.865 11.944 3.523 583 HE2 LYS 68 HE2 LYS 68 22.959 12.090 2.182 584 HE3 LYS 68 HE3 LYS 68 22.902 13.843 2.347 585 HZ1 LYS 68 HZ1 LYS 68 23.065 13.549 4.770 586 HZ2 LYS 68 HZ2 LYS 68 24.384 12.872 3.984 587 HZ3 LYS 68 HZ3 LYS 68 23.178 11.883 4.572 Start of MODEL 7 1 H LYS 1 H LYS 1 -21.502 -11.944 6.636 2 HA LYS 1 HA LYS 1 -19.291 -13.397 7.937 3 HB2 LYS 1 HB2 LYS 1 -20.759 -13.927 5.353 4 HB3 LYS 1 HB3 LYS 1 -19.344 -14.804 5.902 5 HG2 LYS 1 HG2 LYS 1 -20.586 -15.681 7.803 6 HG3 LYS 1 HG3 LYS 1 -22.009 -14.760 7.310 7 HD2 LYS 1 HD2 LYS 1 -20.672 -16.930 5.683 8 HD3 LYS 1 HD3 LYS 1 -22.156 -17.118 6.620 9 HE2 LYS 1 HE2 LYS 1 -23.229 -15.399 5.235 10 HE3 LYS 1 HE3 LYS 1 -21.753 -15.247 4.288 11 HZ1 LYS 1 HZ1 LYS 1 -23.411 -17.679 4.535 12 HZ2 LYS 1 HZ2 LYS 1 -22.010 -17.529 3.597 13 HZ3 LYS 1 HZ3 LYS 1 -23.390 -16.622 3.213 14 HA PRO 2 HA PRO 2 -16.865 -10.495 5.620 15 HB2 PRO 2 HB2 PRO 2 -14.451 -11.725 5.766 16 HB3 PRO 2 HB3 PRO 2 -15.172 -10.894 7.147 17 HG2 PRO 2 HG2 PRO 2 -15.060 -13.812 6.537 18 HG3 PRO 2 HG3 PRO 2 -14.903 -12.987 8.097 19 HD2 PRO 2 HD2 PRO 2 -17.195 -14.233 7.238 20 HD3 PRO 2 HD3 PRO 2 -17.167 -12.905 8.412 21 H VAL 3 H VAL 3 -17.303 -10.457 3.503 22 HA VAL 3 HA VAL 3 -16.810 -12.780 1.868 23 HB VAL 3 HB VAL 3 -17.710 -11.427 -0.023 24 HG11 VAL 3 HG11 VAL 3 -20.015 -11.246 0.808 25 HG12 VAL 3 HG12 VAL 3 -19.420 -11.397 2.461 26 HG13 VAL 3 HG13 VAL 3 -19.243 -12.740 1.333 27 HG21 VAL 3 HG21 VAL 3 -18.054 -9.272 2.066 28 HG22 VAL 3 HG22 VAL 3 -18.696 -9.224 0.425 29 HG23 VAL 3 HG23 VAL 3 -16.948 -9.216 0.691 30 H SER 4 H SER 4 -15.344 -12.944 0.237 31 HA SER 4 HA SER 4 -13.410 -12.735 -0.882 32 HB2 SER 4 HB2 SER 4 -13.418 -9.819 -0.030 33 HB3 SER 4 HB3 SER 4 -12.394 -10.531 -1.275 34 HG SER 4 HG SER 4 -15.055 -11.044 -1.596 35 H LEU 5 H LEU 5 -13.050 -10.658 1.957 36 HA LEU 5 HA LEU 5 -11.453 -10.391 3.492 37 HB2 LEU 5 HB2 LEU 5 -12.615 -12.341 4.408 38 HB3 LEU 5 HB3 LEU 5 -11.557 -13.408 3.515 39 HG LEU 5 HG LEU 5 -9.645 -12.612 4.871 40 HD11 LEU 5 HD11 LEU 5 -10.062 -11.323 6.903 41 HD12 LEU 5 HD12 LEU 5 -11.745 -11.114 6.424 42 HD13 LEU 5 HD13 LEU 5 -10.458 -10.400 5.455 43 HD21 LEU 5 HD21 LEU 5 -10.281 -13.765 6.938 44 HD22 LEU 5 HD22 LEU 5 -10.834 -14.639 5.509 45 HD23 LEU 5 HD23 LEU 5 -11.975 -13.684 6.458 46 H SER 6 H SER 6 -9.995 -9.451 2.081 47 HA SER 6 HA SER 6 -7.558 -11.009 1.832 48 HB2 SER 6 HB2 SER 6 -8.635 -11.170 -0.363 49 HB3 SER 6 HB3 SER 6 -8.801 -9.416 -0.425 50 HG SER 6 HG SER 6 -6.849 -10.748 -1.379 51 H TYR 7 H TYR 7 -5.999 -9.899 2.750 52 HA TYR 7 HA TYR 7 -5.891 -7.064 2.307 53 HB2 TYR 7 HB2 TYR 7 -7.038 -7.326 4.518 54 HB3 TYR 7 HB3 TYR 7 -5.645 -8.223 5.101 55 HD1 TYR 7 HD1 TYR 7 -6.678 -4.927 3.760 56 HD2 TYR 7 HD2 TYR 7 -3.804 -7.079 6.039 57 HE1 TYR 7 HE1 TYR 7 -5.630 -2.812 4.417 58 HE2 TYR 7 HE2 TYR 7 -2.742 -4.962 6.703 59 HH TYR 7 HH TYR 7 -2.577 -2.724 5.885 60 H ARG 8 H ARG 8 -4.333 -7.648 0.923 61 HA ARG 8 HA ARG 8 -1.835 -8.820 1.947 62 HB2 ARG 8 HB2 ARG 8 -2.718 -8.045 -0.843 63 HB3 ARG 8 HB3 ARG 8 -1.198 -8.821 -0.444 64 HG2 ARG 8 HG2 ARG 8 -2.312 -10.835 0.187 65 HG3 ARG 8 HG3 ARG 8 -3.890 -10.048 0.098 66 HD2 ARG 8 HD2 ARG 8 -2.010 -10.414 -2.228 67 HD3 ARG 8 HD3 ARG 8 -3.409 -11.439 -1.880 68 HE ARG 8 HE ARG 8 -4.584 -9.110 -1.949 69 HH11 ARG 8 HH11 ARG 8 -2.092 -10.286 -4.209 70 HH12 ARG 8 HH12 ARG 8 -2.715 -9.430 -5.529 71 HH21 ARG 8 HH21 ARG 8 -5.445 -7.959 -3.827 72 HH22 ARG 8 HH22 ARG 8 -4.639 -8.098 -5.321 73 H CYS 9 H CYS 9 -2.862 -6.233 -0.186 74 HA CYS 9 HA CYS 9 -0.971 -4.425 1.052 75 HB2 CYS 9 HB2 CYS 9 -0.784 -3.468 -1.315 76 HB3 CYS 9 HB3 CYS 9 0.083 -4.951 -0.973 77 HA PRO 10 HA PRO 10 -4.844 -2.287 1.571 78 HB2 PRO 10 HB2 PRO 10 -3.789 -0.001 2.650 79 HB3 PRO 10 HB3 PRO 10 -4.042 -1.485 3.572 80 HG2 PRO 10 HG2 PRO 10 -1.530 -0.442 2.319 81 HG3 PRO 10 HG3 PRO 10 -1.754 -1.200 3.906 82 HD2 PRO 10 HD2 PRO 10 -0.757 -2.520 1.789 83 HD3 PRO 10 HD3 PRO 10 -1.755 -3.334 3.014 84 H CYS 11 H CYS 11 -2.030 -0.672 0.209 85 HA CYS 11 HA CYS 11 -3.676 1.314 -1.057 86 HB2 CYS 11 HB2 CYS 11 -0.706 0.934 -1.051 87 HB3 CYS 11 HB3 CYS 11 -1.553 2.317 -1.751 88 H ARG 12 H ARG 12 -4.808 0.069 -2.545 89 HA ARG 12 HA ARG 12 -3.168 -0.648 -4.866 90 HB2 ARG 12 HB2 ARG 12 -5.959 -1.594 -4.208 91 HB3 ARG 12 HB3 ARG 12 -5.062 -2.014 -5.659 92 HG2 ARG 12 HG2 ARG 12 -3.310 -3.015 -4.149 93 HG3 ARG 12 HG3 ARG 12 -4.459 -2.801 -2.824 94 HD2 ARG 12 HD2 ARG 12 -4.644 -5.036 -3.697 95 HD3 ARG 12 HD3 ARG 12 -6.106 -4.106 -4.089 96 HE ARG 12 HE ARG 12 -4.073 -4.045 -6.107 97 HH11 ARG 12 HH11 ARG 12 -6.916 -5.827 -4.989 98 HH12 ARG 12 HH12 ARG 12 -7.253 -6.495 -6.514 99 HH21 ARG 12 HH21 ARG 12 -4.544 -4.965 -8.173 100 HH22 ARG 12 HH22 ARG 12 -5.878 -6.004 -8.364 101 H PHE 13 H PHE 13 -4.783 1.792 -3.654 102 HA PHE 13 HA PHE 13 -5.491 2.903 -6.244 103 HB2 PHE 13 HB2 PHE 13 -7.161 3.172 -3.721 104 HB3 PHE 13 HB3 PHE 13 -7.460 3.988 -5.243 105 HD1 PHE 13 HD1 PHE 13 -8.336 2.753 -7.163 106 HD2 PHE 13 HD2 PHE 13 -7.797 0.869 -3.385 107 HE1 PHE 13 HE1 PHE 13 -9.779 0.902 -7.880 108 HE2 PHE 13 HE2 PHE 13 -9.242 -0.991 -4.098 109 HZ PHE 13 HZ PHE 13 -10.235 -0.976 -6.348 110 H PHE 14 H PHE 14 -4.683 4.922 -6.380 111 HA PHE 14 HA PHE 14 -3.434 5.965 -3.941 112 HB2 PHE 14 HB2 PHE 14 -2.536 6.382 -6.792 113 HB3 PHE 14 HB3 PHE 14 -1.774 7.061 -5.361 114 HD1 PHE 14 HD1 PHE 14 -1.431 5.008 -3.502 115 HD2 PHE 14 HD2 PHE 14 -1.311 4.727 -7.739 116 HE1 PHE 14 HE1 PHE 14 -0.019 3.010 -3.323 117 HE2 PHE 14 HE2 PHE 14 0.091 2.741 -7.579 118 HZ PHE 14 HZ PHE 14 0.745 1.867 -5.353 119 H GLU 15 H GLU 15 -3.595 8.100 -3.448 120 HA GLU 15 HA GLU 15 -5.815 9.552 -4.389 121 HB2 GLU 15 HB2 GLU 15 -4.511 9.529 -2.161 122 HB3 GLU 15 HB3 GLU 15 -3.385 10.602 -2.961 123 HG2 GLU 15 HG2 GLU 15 -6.285 11.096 -2.380 124 HG3 GLU 15 HG3 GLU 15 -4.881 11.796 -1.583 125 H SER 16 H SER 16 -2.338 9.653 -4.730 126 HA SER 16 HA SER 16 -0.816 10.341 -6.200 127 HB2 SER 16 HB2 SER 16 -1.337 10.371 -8.622 128 HB3 SER 16 HB3 SER 16 -1.944 8.933 -7.813 129 HG SER 16 HG SER 16 -3.915 10.584 -7.666 130 H HIS 17 H HIS 17 -3.465 12.475 -5.775 131 HA HIS 17 HA HIS 17 -2.054 14.687 -7.075 132 HB2 HIS 17 HB2 HIS 17 -4.560 14.237 -7.378 133 HB3 HIS 17 HB3 HIS 17 -4.755 14.686 -5.689 134 HD1 HIS 17 HD1 HIS 17 -3.756 16.128 -9.018 135 HD2 HIS 17 HD2 HIS 17 -4.810 17.418 -5.214 136 HE1 HIS 17 HE1 HIS 17 -3.903 18.591 -9.177 137 HE2 HIS 17 HE2 HIS 17 -4.886 19.299 -6.969 138 H VAL 18 H VAL 18 -0.950 13.411 -4.832 139 HA VAL 18 HA VAL 18 -1.493 15.094 -2.523 140 HB VAL 18 HB VAL 18 0.422 12.762 -2.759 141 HG11 VAL 18 HG11 VAL 18 0.213 12.645 -0.333 142 HG12 VAL 18 HG12 VAL 18 -0.822 14.073 -0.363 143 HG13 VAL 18 HG13 VAL 18 0.862 14.192 -0.875 144 HG21 VAL 18 HG21 VAL 18 -1.804 11.984 -3.303 145 HG22 VAL 18 HG22 VAL 18 -2.454 12.722 -1.845 146 HG23 VAL 18 HG23 VAL 18 -1.326 11.377 -1.719 147 H ALA 19 H ALA 19 -0.096 16.613 -1.864 148 HA ALA 19 HA ALA 19 2.391 16.949 -3.382 149 HB1 ALA 19 HB1 ALA 19 0.716 18.720 -3.724 150 HB2 ALA 19 HB2 ALA 19 2.188 19.316 -2.969 151 HB3 ALA 19 HB3 ALA 19 0.740 19.056 -1.992 152 H ARG 20 H ARG 20 4.215 17.672 -2.227 153 HA ARG 20 HA ARG 20 4.835 16.311 0.065 154 HB2 ARG 20 HB2 ARG 20 6.504 17.208 -1.452 155 HB3 ARG 20 HB3 ARG 20 6.076 18.848 -0.999 156 HG2 ARG 20 HG2 ARG 20 8.120 18.237 0.090 157 HG3 ARG 20 HG3 ARG 20 6.841 18.349 1.314 158 HD2 ARG 20 HD2 ARG 20 6.624 15.863 1.107 159 HD3 ARG 20 HD3 ARG 20 8.069 15.900 0.096 160 HE ARG 20 HE ARG 20 8.096 17.033 2.798 161 HH11 ARG 20 HH11 ARG 20 9.568 14.773 0.453 162 HH12 ARG 20 HH12 ARG 20 10.730 14.210 1.568 163 HH21 ARG 20 HH21 ARG 20 9.716 16.196 4.288 164 HH22 ARG 20 HH22 ARG 20 10.805 14.996 3.748 165 H ALA 21 H ALA 21 3.728 19.688 -0.158 166 HA ALA 21 HA ALA 21 4.072 20.182 2.645 167 HB1 ALA 21 HB1 ALA 21 2.490 21.743 0.637 168 HB2 ALA 21 HB2 ALA 21 4.203 21.992 0.998 169 HB3 ALA 21 HB3 ALA 21 2.983 22.298 2.241 170 H ASN 22 H ASN 22 1.515 18.987 0.679 171 HA ASN 22 HA ASN 22 -0.524 19.464 2.672 172 HB2 ASN 22 HB2 ASN 22 -1.088 19.582 0.261 173 HB3 ASN 22 HB3 ASN 22 -0.637 17.898 0.071 174 HD21 ASN 22 HD21 ASN 22 -2.708 17.450 -0.755 175 HD22 ASN 22 HD22 ASN 22 -4.091 17.334 0.241 176 H VAL 23 H VAL 23 1.907 17.314 2.364 177 HA VAL 23 HA VAL 23 0.468 15.063 3.483 178 HB VAL 23 HB VAL 23 3.432 15.338 2.952 179 HG11 VAL 23 HG11 VAL 23 1.796 13.139 4.021 180 HG12 VAL 23 HG12 VAL 23 3.226 13.864 4.703 181 HG13 VAL 23 HG13 VAL 23 3.349 12.831 3.253 182 HG21 VAL 23 HG21 VAL 23 1.304 13.812 1.476 183 HG22 VAL 23 HG22 VAL 23 3.024 13.771 1.125 184 HG23 VAL 23 HG23 VAL 23 2.121 15.259 0.893 185 H LYS 24 H LYS 24 0.141 14.798 5.498 186 HA LYS 24 HA LYS 24 1.280 16.466 7.527 187 HB2 LYS 24 HB2 LYS 24 -1.122 15.561 7.343 188 HB3 LYS 24 HB3 LYS 24 -0.445 14.031 7.879 189 HG2 LYS 24 HG2 LYS 24 -1.216 15.009 9.827 190 HG3 LYS 24 HG3 LYS 24 0.523 15.364 9.817 191 HD2 LYS 24 HD2 LYS 24 -0.317 17.516 10.247 192 HD3 LYS 24 HD3 LYS 24 -0.239 17.391 8.468 193 HE2 LYS 24 HE2 LYS 24 -2.356 18.364 9.161 194 HE3 LYS 24 HE3 LYS 24 -2.532 16.834 8.293 195 HZ1 LYS 24 HZ1 LYS 24 -2.658 17.115 11.250 196 HZ2 LYS 24 HZ2 LYS 24 -2.977 15.710 10.374 197 HZ3 LYS 24 HZ3 LYS 24 -3.992 17.023 10.246 198 H HIS 25 H HIS 25 1.510 13.183 6.344 199 HA HIS 25 HA HIS 25 3.651 12.438 8.191 200 HB2 HIS 25 HB2 HIS 25 1.677 11.846 9.443 201 HB3 HIS 25 HB3 HIS 25 0.934 11.145 8.027 202 HD1 HIS 25 HD1 HIS 25 3.120 10.343 10.871 203 HD2 HIS 25 HD2 HIS 25 1.987 8.621 7.275 204 HE1 HIS 25 HE1 HIS 25 3.673 7.907 11.112 205 HE2 HIS 25 HE2 HIS 25 2.518 6.889 9.149 206 H LEU 26 H LEU 26 5.098 11.133 7.102 207 HA LEU 26 HA LEU 26 4.144 9.755 4.700 208 HB2 LEU 26 HB2 LEU 26 6.810 11.022 5.242 209 HB3 LEU 26 HB3 LEU 26 6.603 9.817 3.987 210 HG LEU 26 HG LEU 26 5.044 12.398 4.084 211 HD11 LEU 26 HD11 LEU 26 7.463 11.668 2.449 212 HD12 LEU 26 HD12 LEU 26 7.420 12.870 3.752 213 HD13 LEU 26 HD13 LEU 26 6.475 13.117 2.274 214 HD21 LEU 26 HD21 LEU 26 5.438 10.330 1.932 215 HD22 LEU 26 HD22 LEU 26 4.532 11.829 1.766 216 HD23 LEU 26 HD23 LEU 26 3.963 10.573 2.866 217 H LYS 27 H LYS 27 4.230 7.696 4.577 218 HA LYS 27 HA LYS 27 6.024 6.107 6.257 219 HB2 LYS 27 HB2 LYS 27 3.750 6.079 7.266 220 HB3 LYS 27 HB3 LYS 27 3.087 5.713 5.704 221 HG2 LYS 27 HG2 LYS 27 3.137 3.708 7.053 222 HG3 LYS 27 HG3 LYS 27 4.217 3.548 5.672 223 HD2 LYS 27 HD2 LYS 27 5.353 2.655 7.578 224 HD3 LYS 27 HD3 LYS 27 6.081 4.212 7.163 225 HE2 LYS 27 HE2 LYS 27 5.775 3.965 9.592 226 HE3 LYS 27 HE3 LYS 27 4.839 5.308 8.931 227 HZ1 LYS 27 HZ1 LYS 27 3.753 2.611 9.551 228 HZ2 LYS 27 HZ2 LYS 27 2.861 3.913 8.995 229 HZ3 LYS 27 HZ3 LYS 27 3.566 3.979 10.517 230 H ILE 28 H ILE 28 7.002 4.501 4.977 231 HA ILE 28 HA ILE 28 5.810 4.139 2.318 232 HB ILE 28 HB ILE 28 8.693 3.442 3.028 233 HG12 ILE 28 HG12 ILE 28 7.521 5.944 1.874 234 HG13 ILE 28 HG13 ILE 28 8.436 5.810 3.383 235 HG21 ILE 28 HG21 ILE 28 7.465 2.490 0.920 236 HG22 ILE 28 HG22 ILE 28 9.001 3.355 0.713 237 HG23 ILE 28 HG23 ILE 28 7.498 4.215 0.424 238 HD11 ILE 28 HD11 ILE 28 10.407 5.112 1.957 239 HD12 ILE 28 HD12 ILE 28 9.812 6.767 1.745 240 HD13 ILE 28 HD13 ILE 28 9.361 5.533 0.570 241 H LEU 29 H LEU 29 4.795 2.211 2.016 242 HA LEU 29 HA LEU 29 5.423 0.086 3.888 243 HB2 LEU 29 HB2 LEU 29 3.207 1.297 3.978 244 HB3 LEU 29 HB3 LEU 29 2.879 0.673 2.382 245 HG LEU 29 HG LEU 29 3.372 -1.009 4.784 246 HD11 LEU 29 HD11 LEU 29 0.748 -0.125 3.542 247 HD12 LEU 29 HD12 LEU 29 1.363 0.349 5.128 248 HD13 LEU 29 HD13 LEU 29 0.883 -1.322 4.830 249 HD21 LEU 29 HD21 LEU 29 2.237 -2.804 3.489 250 HD22 LEU 29 HD22 LEU 29 3.708 -2.228 2.707 251 HD23 LEU 29 HD23 LEU 29 2.130 -1.705 2.114 252 H ASN 30 H ASN 30 6.494 -1.519 2.936 253 HA ASN 30 HA ASN 30 6.268 -1.945 0.059 254 HB2 ASN 30 HB2 ASN 30 8.547 -1.864 0.805 255 HB3 ASN 30 HB3 ASN 30 8.250 -2.999 2.100 256 HD21 ASN 30 HD21 ASN 30 8.766 -2.618 -1.295 257 HD22 ASN 30 HD22 ASN 30 9.004 -4.285 -1.649 258 H THR 31 H THR 31 5.244 -3.617 -0.788 259 HA THR 31 HA THR 31 4.544 -5.815 1.006 260 HB THR 31 HB THR 31 3.010 -4.860 -1.401 261 HG1 THR 31 HG1 THR 31 2.882 -4.215 1.312 262 HG21 THR 31 HG21 THR 31 2.297 -6.822 0.794 263 HG22 THR 31 HG22 THR 31 2.734 -7.238 -0.858 264 HG23 THR 31 HG23 THR 31 1.225 -6.386 -0.527 265 HA PRO 32 HA PRO 32 7.405 -8.005 -1.658 266 HB2 PRO 32 HB2 PRO 32 5.520 -10.242 -1.094 267 HB3 PRO 32 HB3 PRO 32 7.281 -10.203 -0.984 268 HG2 PRO 32 HG2 PRO 32 5.773 -10.062 1.205 269 HG3 PRO 32 HG3 PRO 32 7.264 -9.120 1.059 270 HD2 PRO 32 HD2 PRO 32 4.436 -8.236 0.897 271 HD3 PRO 32 HD3 PRO 32 5.869 -7.354 1.469 272 H ASN 33 H ASN 33 3.940 -8.824 -2.048 273 HA ASN 33 HA ASN 33 4.505 -9.138 -4.903 274 HB2 ASN 33 HB2 ASN 33 2.256 -10.307 -3.259 275 HB3 ASN 33 HB3 ASN 33 2.399 -10.446 -5.006 276 HD21 ASN 33 HD21 ASN 33 3.671 -11.496 -1.940 277 HD22 ASN 33 HD22 ASN 33 4.644 -12.769 -2.590 278 H CYS 34 H CYS 34 3.751 -6.601 -3.322 279 HA CYS 34 HA CYS 34 1.837 -5.750 -5.366 280 HB2 CYS 34 HB2 CYS 34 1.530 -5.139 -2.434 281 HB3 CYS 34 HB3 CYS 34 0.701 -4.242 -3.681 282 H ALA 35 H ALA 35 4.826 -5.379 -4.480 283 HA ALA 35 HA ALA 35 6.417 -3.827 -4.912 284 HB1 ALA 35 HB1 ALA 35 5.877 -1.923 -6.319 285 HB2 ALA 35 HB2 ALA 35 4.173 -2.161 -5.947 286 HB3 ALA 35 HB3 ALA 35 5.026 -3.367 -6.931 287 H LEU 36 H LEU 36 6.452 -1.101 -4.788 288 HA LEU 36 HA LEU 36 6.063 -0.632 -1.989 289 HB2 LEU 36 HB2 LEU 36 7.444 0.892 -4.145 290 HB3 LEU 36 HB3 LEU 36 6.975 1.710 -2.674 291 HG LEU 36 HG LEU 36 9.294 1.040 -2.628 292 HD11 LEU 36 HD11 LEU 36 7.601 -0.490 -0.675 293 HD12 LEU 36 HD12 LEU 36 8.116 1.192 -0.542 294 HD13 LEU 36 HD13 LEU 36 9.307 -0.105 -0.475 295 HD21 LEU 36 HD21 LEU 36 8.197 -1.720 -2.799 296 HD22 LEU 36 HD22 LEU 36 9.878 -1.365 -2.425 297 HD23 LEU 36 HD23 LEU 36 9.216 -0.953 -4.029 298 H GLN 37 H GLN 37 4.955 0.840 -1.123 299 HA GLN 37 HA GLN 37 3.036 2.424 -2.630 300 HB2 GLN 37 HB2 GLN 37 2.248 0.460 -0.458 301 HB3 GLN 37 HB3 GLN 37 1.206 1.733 -1.066 302 HG2 GLN 37 HG2 GLN 37 0.505 0.404 -2.709 303 HG3 GLN 37 HG3 GLN 37 2.152 0.231 -3.284 304 HE21 GLN 37 HE21 GLN 37 3.096 -1.109 -0.912 305 HE22 GLN 37 HE22 GLN 37 2.436 -2.696 -0.948 306 H ILE 38 H ILE 38 2.996 4.407 -1.758 307 HA ILE 38 HA ILE 38 4.236 4.619 0.865 308 HB ILE 38 HB ILE 38 3.974 6.800 -1.246 309 HG12 ILE 38 HG12 ILE 38 6.171 4.910 -0.521 310 HG13 ILE 38 HG13 ILE 38 5.352 5.020 -2.066 311 HG21 ILE 38 HG21 ILE 38 5.628 7.983 0.135 312 HG22 ILE 38 HG22 ILE 38 5.671 6.617 1.244 313 HG23 ILE 38 HG23 ILE 38 4.207 7.604 1.124 314 HD11 ILE 38 HD11 ILE 38 6.366 7.346 -2.245 315 HD12 ILE 38 HD12 ILE 38 7.387 5.934 -2.397 316 HD13 ILE 38 HD13 ILE 38 7.415 6.837 -0.877 317 H VAL 39 H VAL 39 3.259 5.810 2.434 318 HA VAL 39 HA VAL 39 0.417 6.364 1.946 319 HB VAL 39 HB VAL 39 1.691 5.226 4.457 320 HG11 VAL 39 HG11 VAL 39 -0.137 6.656 5.046 321 HG12 VAL 39 HG12 VAL 39 -0.584 4.975 5.306 322 HG13 VAL 39 HG13 VAL 39 -1.200 5.845 3.895 323 HG21 VAL 39 HG21 VAL 39 0.400 3.205 3.981 324 HG22 VAL 39 HG22 VAL 39 1.547 3.569 2.691 325 HG23 VAL 39 HG23 VAL 39 -0.166 3.927 2.472 326 H ALA 40 H ALA 40 -0.250 8.328 2.506 327 HA ALA 40 HA ALA 40 1.353 9.933 4.371 328 HB1 ALA 40 HB1 ALA 40 1.060 11.855 2.911 329 HB2 ALA 40 HB2 ALA 40 0.294 10.784 1.719 330 HB3 ALA 40 HB3 ALA 40 2.001 10.559 2.181 331 H ARG 41 H ARG 41 0.107 11.618 5.377 332 HA ARG 41 HA ARG 41 -2.723 11.237 4.953 333 HB2 ARG 41 HB2 ARG 41 -1.870 10.598 7.223 334 HB3 ARG 41 HB3 ARG 41 -1.447 12.286 7.448 335 HG2 ARG 41 HG2 ARG 41 -3.650 12.996 7.431 336 HG3 ARG 41 HG3 ARG 41 -4.231 11.479 6.745 337 HD2 ARG 41 HD2 ARG 41 -3.438 10.349 8.683 338 HD3 ARG 41 HD3 ARG 41 -3.031 11.921 9.413 339 HE ARG 41 HE ARG 41 -5.605 12.259 8.768 340 HH11 ARG 41 HH11 ARG 41 -4.043 9.664 10.610 341 HH12 ARG 41 HH12 ARG 41 -5.434 9.265 11.490 342 HH21 ARG 41 HH21 ARG 41 -7.498 11.716 9.948 343 HH22 ARG 41 HH22 ARG 41 -7.488 10.473 11.101 344 H LEU 42 H LEU 42 -3.978 12.860 4.546 345 HA LEU 42 HA LEU 42 -2.653 15.164 3.420 346 HB2 LEU 42 HB2 LEU 42 -5.586 14.390 3.476 347 HB3 LEU 42 HB3 LEU 42 -4.952 15.770 2.611 348 HG LEU 42 HG LEU 42 -4.398 12.868 2.092 349 HD11 LEU 42 HD11 LEU 42 -6.535 13.649 1.319 350 HD12 LEU 42 HD12 LEU 42 -5.441 13.394 -0.056 351 HD13 LEU 42 HD13 LEU 42 -5.750 15.028 0.552 352 HD21 LEU 42 HD21 LEU 42 -3.084 13.651 0.183 353 HD22 LEU 42 HD22 LEU 42 -2.376 14.101 1.740 354 HD23 LEU 42 HD23 LEU 42 -3.252 15.309 0.792 355 H LYS 43 H LYS 43 -2.511 17.154 4.177 356 HA LYS 43 HA LYS 43 -3.453 17.861 6.761 357 HB2 LYS 43 HB2 LYS 43 -2.345 19.541 4.542 358 HB3 LYS 43 HB3 LYS 43 -2.806 20.181 6.110 359 HG2 LYS 43 HG2 LYS 43 -1.259 18.446 7.076 360 HG3 LYS 43 HG3 LYS 43 -0.631 18.265 5.434 361 HD2 LYS 43 HD2 LYS 43 -0.030 20.558 5.330 362 HD3 LYS 43 HD3 LYS 43 -0.853 20.903 6.854 363 HE2 LYS 43 HE2 LYS 43 1.392 20.714 7.506 364 HE3 LYS 43 HE3 LYS 43 0.552 19.167 7.791 365 HZ1 LYS 43 HZ1 LYS 43 1.620 18.176 5.903 366 HZ2 LYS 43 HZ2 LYS 43 2.810 18.959 6.796 367 HZ3 LYS 43 HZ3 LYS 43 2.216 19.667 5.405 368 H ASN 44 H ASN 44 -4.405 18.549 3.446 369 HA ASN 44 HA ASN 44 -6.410 20.485 4.010 370 HB2 ASN 44 HB2 ASN 44 -5.271 20.366 1.844 371 HB3 ASN 44 HB3 ASN 44 -5.969 18.781 1.557 372 HD21 ASN 44 HD21 ASN 44 -7.030 19.365 -0.286 373 HD22 ASN 44 HD22 ASN 44 -8.382 20.428 -0.314 374 H ASN 45 H ASN 45 -6.515 17.060 3.279 375 HA ASN 45 HA ASN 45 -9.434 17.058 3.578 376 HB2 ASN 45 HB2 ASN 45 -7.590 14.823 2.753 377 HB3 ASN 45 HB3 ASN 45 -9.340 14.737 2.811 378 HD21 ASN 45 HD21 ASN 45 -9.486 14.262 0.704 379 HD22 ASN 45 HD22 ASN 45 -9.185 15.393 -0.576 380 H ASN 46 H ASN 46 -6.616 16.313 5.305 381 HA ASN 46 HA ASN 46 -6.165 15.525 7.320 382 HB2 ASN 46 HB2 ASN 46 -8.014 16.924 8.088 383 HB3 ASN 46 HB3 ASN 46 -9.178 15.660 7.760 384 HD21 ASN 46 HD21 ASN 46 -9.381 13.972 9.257 385 HD22 ASN 46 HD22 ASN 46 -8.643 14.019 10.823 386 H ARG 47 H ARG 47 -7.298 13.683 4.963 387 HA ARG 47 HA ARG 47 -7.684 11.329 6.651 388 HB2 ARG 47 HB2 ARG 47 -8.804 10.268 4.890 389 HB3 ARG 47 HB3 ARG 47 -9.369 11.936 4.916 390 HG2 ARG 47 HG2 ARG 47 -8.132 12.494 3.022 391 HG3 ARG 47 HG3 ARG 47 -7.248 10.957 3.110 392 HD2 ARG 47 HD2 ARG 47 -9.345 9.732 2.725 393 HD3 ARG 47 HD3 ARG 47 -10.213 11.249 2.559 394 HE ARG 47 HE ARG 47 -8.543 11.589 0.615 395 HH11 ARG 47 HH11 ARG 47 -9.937 8.462 1.552 396 HH12 ARG 47 HH12 ARG 47 -9.935 7.823 -0.015 397 HH21 ARG 47 HH21 ARG 47 -8.521 10.697 -1.554 398 HH22 ARG 47 HH22 ARG 47 -9.105 9.113 -1.819 399 H GLN 48 H GLN 48 -6.549 9.379 6.219 400 HA GLN 48 HA GLN 48 -3.935 9.887 5.218 401 HB2 GLN 48 HB2 GLN 48 -4.353 8.727 7.371 402 HB3 GLN 48 HB3 GLN 48 -5.132 7.424 6.478 403 HG2 GLN 48 HG2 GLN 48 -3.112 6.939 5.347 404 HG3 GLN 48 HG3 GLN 48 -2.336 8.333 6.104 405 HE21 GLN 48 HE21 GLN 48 -4.503 6.247 7.879 406 HE22 GLN 48 HE22 GLN 48 -3.310 5.528 8.878 407 H VAL 49 H VAL 49 -3.245 9.289 3.310 408 HA VAL 49 HA VAL 49 -4.975 7.670 1.581 409 HB VAL 49 HB VAL 49 -4.094 9.079 -0.278 410 HG11 VAL 49 HG11 VAL 49 -6.385 9.375 0.628 411 HG12 VAL 49 HG12 VAL 49 -5.712 10.911 0.106 412 HG13 VAL 49 HG13 VAL 49 -5.749 10.505 1.826 413 HG21 VAL 49 HG21 VAL 49 -2.208 10.087 0.801 414 HG22 VAL 49 HG22 VAL 49 -3.256 10.908 1.960 415 HG23 VAL 49 HG23 VAL 49 -3.313 11.342 0.249 416 H CYS 50 H CYS 50 -3.798 6.988 -0.390 417 HA CYS 50 HA CYS 50 -1.094 6.167 0.287 418 HB2 CYS 50 HB2 CYS 50 -3.066 4.962 -1.664 419 HB3 CYS 50 HB3 CYS 50 -1.441 4.370 -1.336 420 H ILE 51 H ILE 51 0.512 6.640 -1.053 421 HA ILE 51 HA ILE 51 -0.039 8.608 -3.134 422 HB ILE 51 HB ILE 51 2.444 8.042 -1.519 423 HG12 ILE 51 HG12 ILE 51 0.648 10.450 -1.604 424 HG13 ILE 51 HG13 ILE 51 0.727 9.272 -0.281 425 HG21 ILE 51 HG21 ILE 51 3.059 8.678 -3.748 426 HG22 ILE 51 HG22 ILE 51 3.368 9.989 -2.579 427 HG23 ILE 51 HG23 ILE 51 1.950 10.061 -3.638 428 HD11 ILE 51 HD11 ILE 51 2.938 11.083 -1.221 429 HD12 ILE 51 HD12 ILE 51 3.057 9.931 0.105 430 HD13 ILE 51 HD13 ILE 51 1.964 11.318 0.222 431 H ASP 52 H ASP 52 0.692 8.361 -5.149 432 HA ASP 52 HA ASP 52 1.456 5.797 -6.150 433 HB2 ASP 52 HB2 ASP 52 0.012 7.220 -7.447 434 HB3 ASP 52 HB3 ASP 52 1.195 8.522 -7.448 435 HA PRO 53 HA PRO 53 5.818 6.433 -5.495 436 HB2 PRO 53 HB2 PRO 53 6.745 4.332 -6.903 437 HB3 PRO 53 HB3 PRO 53 5.917 4.142 -5.352 438 HG2 PRO 53 HG2 PRO 53 4.801 3.880 -8.125 439 HG3 PRO 53 HG3 PRO 53 4.603 2.785 -6.747 440 HD2 PRO 53 HD2 PRO 53 2.705 4.556 -7.402 441 HD3 PRO 53 HD3 PRO 53 3.072 4.168 -5.705 442 H LYS 54 H LYS 54 4.308 6.861 -8.519 443 HA LYS 54 HA LYS 54 6.814 7.261 -9.881 444 HB2 LYS 54 HB2 LYS 54 3.997 7.366 -10.881 445 HB3 LYS 54 HB3 LYS 54 5.416 7.690 -11.875 446 HG2 LYS 54 HG2 LYS 54 6.251 5.478 -11.496 447 HG3 LYS 54 HG3 LYS 54 4.945 5.142 -10.361 448 HD2 LYS 54 HD2 LYS 54 4.479 4.132 -12.474 449 HD3 LYS 54 HD3 LYS 54 3.353 5.453 -12.117 450 HE2 LYS 54 HE2 LYS 54 4.558 6.923 -13.637 451 HE3 LYS 54 HE3 LYS 54 5.752 5.662 -13.949 452 HZ1 LYS 54 HZ1 LYS 54 2.861 5.510 -14.638 453 HZ2 LYS 54 HZ2 LYS 54 4.031 4.324 -14.957 454 HZ3 LYS 54 HZ3 LYS 54 4.125 5.809 -15.716 455 H LEU 55 H LEU 55 4.835 9.095 -7.942 456 HA LEU 55 HA LEU 55 4.929 11.639 -9.172 457 HB2 LEU 55 HB2 LEU 55 4.943 10.754 -6.323 458 HB3 LEU 55 HB3 LEU 55 4.916 12.447 -6.713 459 HG LEU 55 HG LEU 55 2.791 10.386 -7.395 460 HD11 LEU 55 HD11 LEU 55 1.422 11.608 -5.802 461 HD12 LEU 55 HD12 LEU 55 2.752 12.728 -5.507 462 HD13 LEU 55 HD13 LEU 55 2.908 11.035 -5.034 463 HD21 LEU 55 HD21 LEU 55 2.934 12.122 -9.131 464 HD22 LEU 55 HD22 LEU 55 2.816 13.355 -7.865 465 HD23 LEU 55 HD23 LEU 55 1.461 12.279 -8.168 466 H LYS 56 H LYS 56 6.485 13.135 -9.411 467 HA LYS 56 HA LYS 56 9.132 12.178 -9.218 468 HB2 LYS 56 HB2 LYS 56 8.500 13.735 -11.014 469 HB3 LYS 56 HB3 LYS 56 8.252 15.010 -9.829 470 HG2 LYS 56 HG2 LYS 56 10.610 14.938 -9.218 471 HG3 LYS 56 HG3 LYS 56 10.875 13.620 -10.354 472 HD2 LYS 56 HD2 LYS 56 10.240 15.108 -12.203 473 HD3 LYS 56 HD3 LYS 56 10.004 16.428 -11.048 474 HE2 LYS 56 HE2 LYS 56 12.349 16.297 -10.397 475 HE3 LYS 56 HE3 LYS 56 12.596 14.947 -11.497 476 HZ1 LYS 56 HZ1 LYS 56 12.102 16.400 -13.343 477 HZ2 LYS 56 HZ2 LYS 56 13.373 17.008 -12.441 478 HZ3 LYS 56 HZ3 LYS 56 11.843 17.709 -12.290 479 H TRP 57 H TRP 57 7.293 14.438 -7.212 480 HA TRP 57 HA TRP 57 9.549 15.137 -5.641 481 HB2 TRP 57 HB2 TRP 57 8.051 16.060 -3.987 482 HB3 TRP 57 HB3 TRP 57 7.387 16.472 -5.545 483 HD1 TRP 57 HD1 TRP 57 4.960 15.294 -6.156 484 HE1 TRP 57 HE1 TRP 57 3.176 14.233 -4.547 485 HE3 TRP 57 HE3 TRP 57 7.784 14.665 -1.956 486 HZ2 TRP 57 HZ2 TRP 57 3.011 13.288 -2.017 487 HZ3 TRP 57 HZ3 TRP 57 6.770 13.678 0.004 488 HH2 TRP 57 HH2 TRP 57 4.412 12.984 0.004 489 H ILE 58 H ILE 58 7.531 12.410 -5.750 490 HA ILE 58 HA ILE 58 8.224 11.301 -3.260 491 HB ILE 58 HB ILE 58 6.898 10.279 -5.737 492 HG12 ILE 58 HG12 ILE 58 5.588 11.591 -4.185 493 HG13 ILE 58 HG13 ILE 58 5.007 9.930 -4.256 494 HG21 ILE 58 HG21 ILE 58 7.660 8.514 -3.441 495 HG22 ILE 58 HG22 ILE 58 8.183 8.390 -5.135 496 HG23 ILE 58 HG23 ILE 58 6.485 8.142 -4.705 497 HD11 ILE 58 HD11 ILE 58 5.026 10.786 -1.977 498 HD12 ILE 58 HD12 ILE 58 6.749 11.077 -2.070 499 HD13 ILE 58 HD13 ILE 58 6.140 9.427 -2.181 500 H GLN 59 H GLN 59 9.477 11.012 -6.538 501 HA GLN 59 HA GLN 59 11.414 9.080 -5.946 502 HB2 GLN 59 HB2 GLN 59 11.351 11.212 -8.066 503 HB3 GLN 59 HB3 GLN 59 12.635 10.008 -7.954 504 HG2 GLN 59 HG2 GLN 59 9.707 9.417 -8.278 505 HG3 GLN 59 HG3 GLN 59 10.937 9.358 -9.546 506 HE21 GLN 59 HE21 GLN 59 9.197 7.240 -8.381 507 HE22 GLN 59 HE22 GLN 59 10.286 6.003 -7.904 508 H GLU 60 H GLU 60 11.441 12.563 -5.734 509 HA GLU 60 HA GLU 60 14.098 12.937 -4.926 510 HB2 GLU 60 HB2 GLU 60 11.650 14.480 -4.039 511 HB3 GLU 60 HB3 GLU 60 13.311 15.041 -3.907 512 HG2 GLU 60 HG2 GLU 60 11.820 14.486 -6.466 513 HG3 GLU 60 HG3 GLU 60 12.178 16.073 -5.788 514 H TYR 61 H TYR 61 11.230 12.056 -3.211 515 HA TYR 61 HA TYR 61 12.271 12.125 -0.564 516 HB2 TYR 61 HB2 TYR 61 9.925 12.425 -0.866 517 HB3 TYR 61 HB3 TYR 61 9.797 10.978 -1.841 518 HD1 TYR 61 HD1 TYR 61 10.750 11.994 1.640 519 HD2 TYR 61 HD2 TYR 61 8.846 9.136 -0.871 520 HE1 TYR 61 HE1 TYR 61 10.020 10.726 3.624 521 HE2 TYR 61 HE2 TYR 61 8.117 7.867 1.084 522 HH TYR 61 HH TYR 61 8.783 7.592 3.434 523 H LEU 62 H LEU 62 11.663 9.521 -2.880 524 HA LEU 62 HA LEU 62 12.476 7.372 -1.235 525 HB2 LEU 62 HB2 LEU 62 12.420 7.589 -4.235 526 HB3 LEU 62 HB3 LEU 62 12.657 6.101 -3.340 527 HG LEU 62 HG LEU 62 10.180 7.804 -3.288 528 HD11 LEU 62 HD11 LEU 62 10.733 5.108 -4.515 529 HD12 LEU 62 HD12 LEU 62 10.483 6.624 -5.386 530 HD13 LEU 62 HD13 LEU 62 9.164 5.916 -4.454 531 HD21 LEU 62 HD21 LEU 62 9.245 5.953 -1.975 532 HD22 LEU 62 HD22 LEU 62 10.598 6.737 -1.162 533 HD23 LEU 62 HD23 LEU 62 10.829 5.185 -1.965 534 H GLU 63 H GLU 63 14.189 9.117 -3.766 535 HA GLU 63 HA GLU 63 16.554 7.629 -3.421 536 HB2 GLU 63 HB2 GLU 63 16.182 10.334 -4.712 537 HB3 GLU 63 HB3 GLU 63 17.617 9.329 -4.858 538 HG2 GLU 63 HG2 GLU 63 14.853 8.608 -5.808 539 HG3 GLU 63 HG3 GLU 63 16.168 9.177 -6.828 540 H LYS 64 H LYS 64 15.205 10.124 -1.572 541 HA LYS 64 HA LYS 64 17.754 10.882 -0.511 542 HB2 LYS 64 HB2 LYS 64 16.129 12.625 -0.879 543 HB3 LYS 64 HB3 LYS 64 14.974 11.797 0.143 544 HG2 LYS 64 HG2 LYS 64 15.778 13.607 1.321 545 HG3 LYS 64 HG3 LYS 64 16.517 12.206 2.082 546 HD2 LYS 64 HD2 LYS 64 17.908 14.074 0.112 547 HD3 LYS 64 HD3 LYS 64 18.028 14.221 1.855 548 HE2 LYS 64 HE2 LYS 64 19.099 11.952 1.902 549 HE3 LYS 64 HE3 LYS 64 19.034 11.939 0.146 550 HZ1 LYS 64 HZ1 LYS 64 20.490 13.955 1.747 551 HZ2 LYS 64 HZ2 LYS 64 20.427 13.872 0.076 552 HZ3 LYS 64 HZ3 LYS 64 21.197 12.664 0.924 553 H ALA 65 H ALA 65 14.684 9.480 0.690 554 HA ALA 65 HA ALA 65 15.799 9.027 3.293 555 HB1 ALA 65 HB1 ALA 65 13.446 9.636 2.984 556 HB2 ALA 65 HB2 ALA 65 13.635 8.116 3.864 557 HB3 ALA 65 HB3 ALA 65 13.172 8.096 2.166 558 H LEU 66 H LEU 66 15.139 6.987 0.497 559 HA LEU 66 HA LEU 66 15.774 4.624 2.110 560 HB2 LEU 66 HB2 LEU 66 14.763 4.826 -0.711 561 HB3 LEU 66 HB3 LEU 66 14.997 3.336 0.182 562 HG LEU 66 HG LEU 66 12.983 5.501 0.795 563 HD11 LEU 66 HD11 LEU 66 12.422 4.150 -1.137 564 HD12 LEU 66 HD12 LEU 66 11.335 3.811 0.211 565 HD13 LEU 66 HD13 LEU 66 12.622 2.676 -0.190 566 HD21 LEU 66 HD21 LEU 66 13.770 4.531 2.865 567 HD22 LEU 66 HD22 LEU 66 13.532 2.897 2.237 568 HD23 LEU 66 HD23 LEU 66 12.147 3.952 2.529 569 H ASN 67 H ASN 67 16.886 6.391 -0.669 570 HA ASN 67 HA ASN 67 18.891 4.487 -1.432 571 HB2 ASN 67 HB2 ASN 67 17.826 6.088 -2.999 572 HB3 ASN 67 HB3 ASN 67 18.623 7.395 -2.149 573 HD21 ASN 67 HD21 ASN 67 19.774 8.109 -3.860 574 HD22 ASN 67 HD22 ASN 67 21.050 7.218 -4.604 575 H LYS 68 H LYS 68 18.876 7.441 0.525 576 HA LYS 68 HA LYS 68 21.751 7.151 0.841 577 HB2 LYS 68 HB2 LYS 68 19.986 9.527 1.425 578 HB3 LYS 68 HB3 LYS 68 21.728 9.494 1.604 579 HG2 LYS 68 HG2 LYS 68 20.339 9.048 -1.030 580 HG3 LYS 68 HG3 LYS 68 20.761 10.639 -0.443 581 HD2 LYS 68 HD2 LYS 68 22.396 9.796 -2.100 582 HD3 LYS 68 HD3 LYS 68 23.132 10.077 -0.538 583 HE2 LYS 68 HE2 LYS 68 22.188 7.328 -1.223 584 HE3 LYS 68 HE3 LYS 68 23.664 7.916 -1.977 585 HZ1 LYS 68 HZ1 LYS 68 23.247 7.805 0.997 586 HZ2 LYS 68 HZ2 LYS 68 24.622 8.261 0.158 587 HZ3 LYS 68 HZ3 LYS 68 24.088 6.668 0.086 Start of MODEL 8 1 H LYS 1 H LYS 1 -19.593 -17.522 -3.666 2 HA LYS 1 HA LYS 1 -17.482 -17.347 -2.563 3 HB2 LYS 1 HB2 LYS 1 -15.985 -17.805 -4.533 4 HB3 LYS 1 HB3 LYS 1 -17.448 -18.756 -4.513 5 HG2 LYS 1 HG2 LYS 1 -17.096 -16.265 -6.165 6 HG3 LYS 1 HG3 LYS 1 -16.728 -17.886 -6.750 7 HD2 LYS 1 HD2 LYS 1 -19.015 -18.558 -6.492 8 HD3 LYS 1 HD3 LYS 1 -19.419 -17.047 -5.685 9 HE2 LYS 1 HE2 LYS 1 -20.160 -16.989 -7.953 10 HE3 LYS 1 HE3 LYS 1 -18.844 -15.841 -7.642 11 HZ1 LYS 1 HZ1 LYS 1 -18.509 -18.488 -8.977 12 HZ2 LYS 1 HZ2 LYS 1 -17.291 -17.347 -8.712 13 HZ3 LYS 1 HZ3 LYS 1 -18.538 -17.001 -9.767 14 HA PRO 2 HA PRO 2 -15.952 -13.152 -2.570 15 HB2 PRO 2 HB2 PRO 2 -14.825 -13.234 -0.139 16 HB3 PRO 2 HB3 PRO 2 -16.581 -13.140 -0.314 17 HG2 PRO 2 HG2 PRO 2 -14.867 -15.509 0.309 18 HG3 PRO 2 HG3 PRO 2 -16.434 -15.052 0.994 19 HD2 PRO 2 HD2 PRO 2 -16.075 -16.922 -1.008 20 HD3 PRO 2 HD3 PRO 2 -17.592 -16.056 -0.701 21 H VAL 3 H VAL 3 -13.635 -12.353 -2.100 22 HA VAL 3 HA VAL 3 -11.830 -14.225 -3.389 23 HB VAL 3 HB VAL 3 -11.304 -11.351 -2.552 24 HG11 VAL 3 HG11 VAL 3 -9.795 -13.150 -4.451 25 HG12 VAL 3 HG12 VAL 3 -9.265 -12.669 -2.841 26 HG13 VAL 3 HG13 VAL 3 -9.418 -11.458 -4.111 27 HG21 VAL 3 HG21 VAL 3 -13.119 -11.495 -4.193 28 HG22 VAL 3 HG22 VAL 3 -12.083 -12.447 -5.249 29 HG23 VAL 3 HG23 VAL 3 -11.673 -10.768 -4.907 30 H SER 4 H SER 4 -10.839 -15.630 -2.121 31 HA SER 4 HA SER 4 -10.563 -15.172 0.682 32 HB2 SER 4 HB2 SER 4 -11.092 -17.413 -0.305 33 HB3 SER 4 HB3 SER 4 -9.483 -17.438 -1.018 34 HG SER 4 HG SER 4 -10.197 -17.437 1.706 35 H LEU 5 H LEU 5 -9.115 -13.657 1.196 36 HA LEU 5 HA LEU 5 -6.412 -13.837 0.045 37 HB2 LEU 5 HB2 LEU 5 -7.814 -11.477 1.286 38 HB3 LEU 5 HB3 LEU 5 -6.158 -11.483 0.716 39 HG LEU 5 HG LEU 5 -8.603 -11.849 -1.014 40 HD11 LEU 5 HD11 LEU 5 -6.743 -9.501 -0.684 41 HD12 LEU 5 HD12 LEU 5 -8.420 -9.584 -0.148 42 HD13 LEU 5 HD13 LEU 5 -8.043 -9.627 -1.871 43 HD21 LEU 5 HD21 LEU 5 -6.662 -13.038 -1.906 44 HD22 LEU 5 HD22 LEU 5 -5.680 -11.588 -1.722 45 HD23 LEU 5 HD23 LEU 5 -7.009 -11.607 -2.880 46 H SER 6 H SER 6 -4.721 -14.083 1.387 47 HA SER 6 HA SER 6 -5.301 -14.527 4.186 48 HB2 SER 6 HB2 SER 6 -2.746 -14.887 2.608 49 HB3 SER 6 HB3 SER 6 -3.029 -15.411 4.268 50 HG SER 6 HG SER 6 -3.986 -17.097 3.560 51 H TYR 7 H TYR 7 -3.721 -12.276 2.046 52 HA TYR 7 HA TYR 7 -2.974 -10.657 4.368 53 HB2 TYR 7 HB2 TYR 7 -1.046 -11.657 3.074 54 HB3 TYR 7 HB3 TYR 7 -1.570 -10.713 1.689 55 HD1 TYR 7 HD1 TYR 7 -1.554 -8.149 1.914 56 HD2 TYR 7 HD2 TYR 7 0.309 -10.738 4.717 57 HE1 TYR 7 HE1 TYR 7 -0.194 -6.269 2.751 58 HE2 TYR 7 HE2 TYR 7 1.663 -8.884 5.550 59 HH TYR 7 HH TYR 7 1.029 -5.643 4.716 60 H ARG 8 H ARG 8 -4.234 -8.904 4.426 61 HA ARG 8 HA ARG 8 -5.239 -7.882 1.890 62 HB2 ARG 8 HB2 ARG 8 -6.970 -6.662 3.182 63 HB3 ARG 8 HB3 ARG 8 -7.058 -8.395 3.402 64 HG2 ARG 8 HG2 ARG 8 -5.948 -8.160 5.581 65 HG3 ARG 8 HG3 ARG 8 -5.894 -6.412 5.345 66 HD2 ARG 8 HD2 ARG 8 -8.321 -6.330 5.245 67 HD3 ARG 8 HD3 ARG 8 -8.400 -8.080 5.403 68 HE ARG 8 HE ARG 8 -6.963 -7.066 7.551 69 HH11 ARG 8 HH11 ARG 8 -10.285 -7.053 6.320 70 HH12 ARG 8 HH12 ARG 8 -11.017 -6.887 7.840 71 HH21 ARG 8 HH21 ARG 8 -7.972 -6.842 9.664 72 HH22 ARG 8 HH22 ARG 8 -9.665 -6.781 9.801 73 H CYS 9 H CYS 9 -4.418 -6.151 1.098 74 HA CYS 9 HA CYS 9 -2.455 -4.729 2.613 75 HB2 CYS 9 HB2 CYS 9 -3.374 -4.347 -0.242 76 HB3 CYS 9 HB3 CYS 9 -1.928 -3.656 0.493 77 HA PRO 10 HA PRO 10 -5.192 -1.784 4.339 78 HB2 PRO 10 HB2 PRO 10 -3.355 0.292 4.604 79 HB3 PRO 10 HB3 PRO 10 -3.597 -1.025 5.754 80 HG2 PRO 10 HG2 PRO 10 -1.548 -0.757 3.588 81 HG3 PRO 10 HG3 PRO 10 -1.364 -1.402 5.228 82 HD2 PRO 10 HD2 PRO 10 -1.523 -3.004 3.126 83 HD3 PRO 10 HD3 PRO 10 -2.316 -3.438 4.658 84 H CYS 11 H CYS 11 -3.043 -0.319 1.876 85 HA CYS 11 HA CYS 11 -4.998 1.718 1.430 86 HB2 CYS 11 HB2 CYS 11 -2.342 1.192 0.129 87 HB3 CYS 11 HB3 CYS 11 -3.390 2.550 -0.291 88 H ARG 12 H ARG 12 -6.599 1.673 0.152 89 HA ARG 12 HA ARG 12 -6.689 -0.331 -1.985 90 HB2 ARG 12 HB2 ARG 12 -8.937 1.220 -0.677 91 HB3 ARG 12 HB3 ARG 12 -9.135 0.011 -1.926 92 HG2 ARG 12 HG2 ARG 12 -8.044 -0.530 0.844 93 HG3 ARG 12 HG3 ARG 12 -9.705 -0.813 0.342 94 HD2 ARG 12 HD2 ARG 12 -8.457 -2.898 0.319 95 HD3 ARG 12 HD3 ARG 12 -8.881 -2.452 -1.330 96 HE ARG 12 HE ARG 12 -6.314 -1.492 -0.615 97 HH11 ARG 12 HH11 ARG 12 -7.945 -4.506 -1.547 98 HH12 ARG 12 HH12 ARG 12 -6.546 -5.157 -2.275 99 HH21 ARG 12 HH21 ARG 12 -4.450 -2.391 -1.635 100 HH22 ARG 12 HH22 ARG 12 -4.554 -3.959 -2.332 101 H PHE 13 H PHE 13 -7.703 3.018 -1.291 102 HA PHE 13 HA PHE 13 -7.280 3.601 -4.128 103 HB2 PHE 13 HB2 PHE 13 -9.223 4.911 -2.218 104 HB3 PHE 13 HB3 PHE 13 -8.961 5.397 -3.886 105 HD1 PHE 13 HD1 PHE 13 -9.654 3.906 -5.735 106 HD2 PHE 13 HD2 PHE 13 -10.586 3.029 -1.678 107 HE1 PHE 13 HE1 PHE 13 -11.355 2.296 -6.478 108 HE2 PHE 13 HE2 PHE 13 -12.291 1.416 -2.409 109 HZ PHE 13 HZ PHE 13 -12.678 1.047 -4.814 110 H PHE 14 H PHE 14 -6.059 5.303 -4.656 111 HA PHE 14 HA PHE 14 -4.607 6.616 -2.454 112 HB2 PHE 14 HB2 PHE 14 -3.804 6.299 -5.350 113 HB3 PHE 14 HB3 PHE 14 -2.820 6.983 -4.066 114 HD1 PHE 14 HD1 PHE 14 -2.316 5.375 -2.081 115 HD2 PHE 14 HD2 PHE 14 -3.562 4.111 -5.930 116 HE1 PHE 14 HE1 PHE 14 -1.353 3.156 -1.655 117 HE2 PHE 14 HE2 PHE 14 -2.611 1.902 -5.532 118 HZ PHE 14 HZ PHE 14 -1.496 1.405 -3.380 119 H GLU 15 H GLU 15 -4.424 8.904 -2.515 120 HA GLU 15 HA GLU 15 -6.478 10.216 -3.924 121 HB2 GLU 15 HB2 GLU 15 -5.758 10.936 -1.759 122 HB3 GLU 15 HB3 GLU 15 -4.152 11.339 -2.367 123 HG2 GLU 15 HG2 GLU 15 -5.127 12.953 -3.819 124 HG3 GLU 15 HG3 GLU 15 -6.728 12.487 -3.245 125 H SER 16 H SER 16 -2.982 10.209 -4.089 126 HA SER 16 HA SER 16 -1.436 10.831 -5.537 127 HB2 SER 16 HB2 SER 16 -1.829 10.376 -8.000 128 HB3 SER 16 HB3 SER 16 -2.186 9.025 -6.936 129 HG SER 16 HG SER 16 -4.415 10.313 -7.111 130 H HIS 17 H HIS 17 -3.695 12.868 -4.858 131 HA HIS 17 HA HIS 17 -2.822 15.047 -6.712 132 HB2 HIS 17 HB2 HIS 17 -5.356 14.485 -6.190 133 HB3 HIS 17 HB3 HIS 17 -5.006 15.176 -4.612 134 HD1 HIS 17 HD1 HIS 17 -3.667 17.676 -5.020 135 HD2 HIS 17 HD2 HIS 17 -6.405 16.354 -7.824 136 HE1 HIS 17 HE1 HIS 17 -4.290 19.684 -6.302 137 HE2 HIS 17 HE2 HIS 17 -5.647 18.794 -8.207 138 H VAL 18 H VAL 18 -1.526 13.580 -4.497 139 HA VAL 18 HA VAL 18 -1.228 15.553 -2.389 140 HB VAL 18 HB VAL 18 -0.156 12.736 -2.675 141 HG11 VAL 18 HG11 VAL 18 0.309 12.895 -0.275 142 HG12 VAL 18 HG12 VAL 18 -0.176 14.593 -0.319 143 HG13 VAL 18 HG13 VAL 18 1.235 14.062 -1.226 144 HG21 VAL 18 HG21 VAL 18 -2.626 12.792 -2.510 145 HG22 VAL 18 HG22 VAL 18 -2.494 13.756 -1.050 146 HG23 VAL 18 HG23 VAL 18 -1.903 12.098 -1.064 147 H ALA 19 H ALA 19 0.587 16.756 -2.209 148 HA ALA 19 HA ALA 19 2.857 16.176 -3.975 149 HB1 ALA 19 HB1 ALA 19 1.650 18.235 -4.555 150 HB2 ALA 19 HB2 ALA 19 3.300 18.566 -4.040 151 HB3 ALA 19 HB3 ALA 19 1.955 18.862 -2.936 152 H ARG 20 H ARG 20 4.979 16.895 -3.141 153 HA ARG 20 HA ARG 20 5.705 15.710 -0.755 154 HB2 ARG 20 HB2 ARG 20 7.236 16.105 -2.593 155 HB3 ARG 20 HB3 ARG 20 7.110 17.833 -2.365 156 HG2 ARG 20 HG2 ARG 20 9.230 16.910 -1.547 157 HG3 ARG 20 HG3 ARG 20 8.302 17.671 -0.251 158 HD2 ARG 20 HD2 ARG 20 7.634 15.534 0.577 159 HD3 ARG 20 HD3 ARG 20 8.315 14.729 -0.833 160 HE ARG 20 HE ARG 20 10.472 15.915 0.109 161 HH11 ARG 20 HH11 ARG 20 8.045 14.190 2.041 162 HH12 ARG 20 HH12 ARG 20 9.179 13.509 3.105 163 HH21 ARG 20 HH21 ARG 20 12.017 14.966 1.591 164 HH22 ARG 20 HH22 ARG 20 11.490 13.964 2.857 165 H ALA 21 H ALA 21 5.226 19.173 -1.387 166 HA ALA 21 HA ALA 21 6.005 19.923 1.254 167 HB1 ALA 21 HB1 ALA 21 4.568 21.490 -0.842 168 HB2 ALA 21 HB2 ALA 21 6.326 21.389 -0.661 169 HB3 ALA 21 HB3 ALA 21 5.341 22.145 0.610 170 H ASN 22 H ASN 22 3.097 18.817 -0.115 171 HA ASN 22 HA ASN 22 1.407 20.132 1.865 172 HB2 ASN 22 HB2 ASN 22 0.578 19.864 -0.470 173 HB3 ASN 22 HB3 ASN 22 0.684 18.120 -0.301 174 HD21 ASN 22 HD21 ASN 22 -1.534 17.988 -0.794 175 HD22 ASN 22 HD22 ASN 22 -2.772 18.366 0.335 176 H VAL 23 H VAL 23 3.414 17.583 1.871 177 HA VAL 23 HA VAL 23 1.665 16.021 3.620 178 HB VAL 23 HB VAL 23 4.378 15.150 2.515 179 HG11 VAL 23 HG11 VAL 23 2.414 13.720 4.210 180 HG12 VAL 23 HG12 VAL 23 4.038 14.221 4.662 181 HG13 VAL 23 HG13 VAL 23 3.808 12.979 3.420 182 HG21 VAL 23 HG21 VAL 23 1.585 14.249 1.847 183 HG22 VAL 23 HG22 VAL 23 3.081 13.585 1.195 184 HG23 VAL 23 HG23 VAL 23 2.610 15.234 0.809 185 H LYS 24 H LYS 24 1.789 16.033 5.659 186 HA LYS 24 HA LYS 24 3.926 17.527 7.021 187 HB2 LYS 24 HB2 LYS 24 2.438 17.450 8.946 188 HB3 LYS 24 HB3 LYS 24 1.621 18.181 7.544 189 HG2 LYS 24 HG2 LYS 24 0.510 16.039 7.260 190 HG3 LYS 24 HG3 LYS 24 1.294 15.481 8.745 191 HD2 LYS 24 HD2 LYS 24 -0.646 17.769 8.441 192 HD3 LYS 24 HD3 LYS 24 -0.907 16.254 9.306 193 HE2 LYS 24 HE2 LYS 24 1.041 16.912 10.787 194 HE3 LYS 24 HE3 LYS 24 1.005 18.444 9.964 195 HZ1 LYS 24 HZ1 LYS 24 -0.232 18.612 12.019 196 HZ2 LYS 24 HZ2 LYS 24 -1.301 17.403 11.528 197 HZ3 LYS 24 HZ3 LYS 24 -1.223 18.874 10.704 198 H HIS 25 H HIS 25 2.708 14.373 6.607 199 HA HIS 25 HA HIS 25 4.943 13.225 8.035 200 HB2 HIS 25 HB2 HIS 25 3.346 13.581 9.881 201 HB3 HIS 25 HB3 HIS 25 2.115 12.732 8.981 202 HD1 HIS 25 HD1 HIS 25 4.968 12.133 11.257 203 HD2 HIS 25 HD2 HIS 25 2.534 9.985 8.693 204 HE1 HIS 25 HE1 HIS 25 5.307 9.745 11.902 205 HE2 HIS 25 HE2 HIS 25 4.087 8.460 10.165 206 H LEU 26 H LEU 26 5.506 11.292 7.171 207 HA LEU 26 HA LEU 26 3.737 10.018 5.184 208 HB2 LEU 26 HB2 LEU 26 6.743 10.124 5.448 209 HB3 LEU 26 HB3 LEU 26 5.894 9.102 4.311 210 HG LEU 26 HG LEU 26 5.488 12.082 4.218 211 HD11 LEU 26 HD11 LEU 26 7.655 10.463 2.901 212 HD12 LEU 26 HD12 LEU 26 7.903 11.660 4.184 213 HD13 LEU 26 HD13 LEU 26 7.290 12.163 2.599 214 HD21 LEU 26 HD21 LEU 26 5.520 9.934 2.113 215 HD22 LEU 26 HD22 LEU 26 5.060 11.613 1.897 216 HD23 LEU 26 HD23 LEU 26 4.054 10.540 2.888 217 H LYS 27 H LYS 27 3.057 7.987 5.683 218 HA LYS 27 HA LYS 27 4.532 6.346 7.611 219 HB2 LYS 27 HB2 LYS 27 2.119 6.741 8.192 220 HB3 LYS 27 HB3 LYS 27 1.691 6.215 6.584 221 HG2 LYS 27 HG2 LYS 27 1.218 4.463 8.205 222 HG3 LYS 27 HG3 LYS 27 2.457 3.954 7.065 223 HD2 LYS 27 HD2 LYS 27 3.141 3.237 9.246 224 HD3 LYS 27 HD3 LYS 27 4.159 4.592 8.755 225 HE2 LYS 27 HE2 LYS 27 3.477 4.797 11.103 226 HE3 LYS 27 HE3 LYS 27 2.847 6.115 10.122 227 HZ1 LYS 27 HZ1 LYS 27 1.312 3.710 10.945 228 HZ2 LYS 27 HZ2 LYS 27 0.694 5.019 10.078 229 HZ3 LYS 27 HZ3 LYS 27 1.203 5.218 11.674 230 H ILE 28 H ILE 28 5.848 4.980 6.470 231 HA ILE 28 HA ILE 28 4.973 4.373 3.746 232 HB ILE 28 HB ILE 28 7.842 4.448 4.740 233 HG12 ILE 28 HG12 ILE 28 6.163 6.428 3.248 234 HG13 ILE 28 HG13 ILE 28 6.820 6.640 4.875 235 HG21 ILE 28 HG21 ILE 28 7.492 3.030 2.693 236 HG22 ILE 28 HG22 ILE 28 8.334 4.573 2.323 237 HG23 ILE 28 HG23 ILE 28 6.632 4.417 1.994 238 HD11 ILE 28 HD11 ILE 28 9.085 6.534 3.776 239 HD12 ILE 28 HD12 ILE 28 8.038 7.912 3.335 240 HD13 ILE 28 HD13 ILE 28 8.144 6.531 2.254 241 H LEU 29 H LEU 29 4.048 2.458 3.618 242 HA LEU 29 HA LEU 29 5.142 0.203 5.062 243 HB2 LEU 29 HB2 LEU 29 2.926 1.026 5.760 244 HB3 LEU 29 HB3 LEU 29 2.354 0.914 4.117 245 HG LEU 29 HG LEU 29 3.280 -1.464 5.632 246 HD11 LEU 29 HD11 LEU 29 0.491 -0.239 5.546 247 HD12 LEU 29 HD12 LEU 29 1.521 -0.347 6.975 248 HD13 LEU 29 HD13 LEU 29 0.858 -1.810 6.254 249 HD21 LEU 29 HD21 LEU 29 1.699 -2.669 4.133 250 HD22 LEU 29 HD22 LEU 29 2.935 -1.789 3.235 251 HD23 LEU 29 HD23 LEU 29 1.305 -1.133 3.359 252 H ASN 30 H ASN 30 5.356 -1.764 3.826 253 HA ASN 30 HA ASN 30 5.149 -1.354 0.918 254 HB2 ASN 30 HB2 ASN 30 7.180 -2.635 0.565 255 HB3 ASN 30 HB3 ASN 30 7.515 -1.291 1.642 256 HD21 ASN 30 HD21 ASN 30 8.071 -1.709 3.794 257 HD22 ASN 30 HD22 ASN 30 8.469 -3.282 4.339 258 H THR 31 H THR 31 4.442 -3.087 -0.314 259 HA THR 31 HA THR 31 4.236 -5.684 0.901 260 HB THR 31 HB THR 31 1.827 -4.381 -0.353 261 HG1 THR 31 HG1 THR 31 2.755 -4.398 2.212 262 HG21 THR 31 HG21 THR 31 2.175 -7.053 1.010 263 HG22 THR 31 HG22 THR 31 1.929 -6.777 -0.716 264 HG23 THR 31 HG23 THR 31 0.642 -6.401 0.429 265 HA PRO 32 HA PRO 32 5.909 -6.239 -3.260 266 HB2 PRO 32 HB2 PRO 32 5.332 -9.077 -2.601 267 HB3 PRO 32 HB3 PRO 32 6.837 -8.336 -3.156 268 HG2 PRO 32 HG2 PRO 32 6.532 -9.091 -0.615 269 HG3 PRO 32 HG3 PRO 32 7.425 -7.621 -1.040 270 HD2 PRO 32 HD2 PRO 32 4.655 -7.886 0.084 271 HD3 PRO 32 HD3 PRO 32 5.891 -6.647 0.384 272 H ASN 33 H ASN 33 2.943 -7.627 -2.107 273 HA ASN 33 HA ASN 33 2.105 -8.327 -4.815 274 HB2 ASN 33 HB2 ASN 33 0.716 -8.859 -2.182 275 HB3 ASN 33 HB3 ASN 33 0.141 -9.403 -3.750 276 HD21 ASN 33 HD21 ASN 33 2.377 -9.960 -1.157 277 HD22 ASN 33 HD22 ASN 33 3.041 -11.398 -1.797 278 H CYS 34 H CYS 34 1.915 -5.564 -2.960 279 HA CYS 34 HA CYS 34 -0.486 -4.701 -4.429 280 HB2 CYS 34 HB2 CYS 34 -0.092 -4.247 -1.478 281 HB3 CYS 34 HB3 CYS 34 -1.440 -3.685 -2.452 282 H ALA 35 H ALA 35 2.535 -4.217 -4.314 283 HA ALA 35 HA ALA 35 3.969 -2.527 -4.748 284 HB1 ALA 35 HB1 ALA 35 3.134 -0.352 -5.419 285 HB2 ALA 35 HB2 ALA 35 1.550 -0.780 -4.746 286 HB3 ALA 35 HB3 ALA 35 2.151 -1.628 -6.171 287 H LEU 36 H LEU 36 4.562 -0.258 -4.000 288 HA LEU 36 HA LEU 36 4.923 -0.405 -1.169 289 HB2 LEU 36 HB2 LEU 36 6.483 0.510 -3.096 290 HB3 LEU 36 HB3 LEU 36 5.533 1.963 -2.929 291 HG LEU 36 HG LEU 36 7.574 2.243 -1.734 292 HD11 LEU 36 HD11 LEU 36 5.397 1.785 0.236 293 HD12 LEU 36 HD12 LEU 36 5.696 3.262 -0.689 294 HD13 LEU 36 HD13 LEU 36 6.874 2.712 0.507 295 HD21 LEU 36 HD21 LEU 36 6.889 -0.281 -0.277 296 HD22 LEU 36 HD22 LEU 36 8.257 0.776 0.095 297 HD23 LEU 36 HD23 LEU 36 8.175 -0.065 -1.458 298 H GLN 37 H GLN 37 3.737 0.790 0.301 299 HA GLN 37 HA GLN 37 1.576 2.357 -0.827 300 HB2 GLN 37 HB2 GLN 37 1.422 0.192 1.212 301 HB3 GLN 37 HB3 GLN 37 0.146 1.397 1.039 302 HG2 GLN 37 HG2 GLN 37 -0.401 0.704 -1.097 303 HG3 GLN 37 HG3 GLN 37 1.152 -0.084 -1.338 304 HE21 GLN 37 HE21 GLN 37 1.493 -2.011 -0.577 305 HE22 GLN 37 HE22 GLN 37 0.260 -3.055 0.010 306 H ILE 38 H ILE 38 2.031 4.343 -0.225 307 HA ILE 38 HA ILE 38 3.135 4.803 2.437 308 HB ILE 38 HB ILE 38 2.940 6.738 0.110 309 HG12 ILE 38 HG12 ILE 38 5.193 4.901 0.947 310 HG13 ILE 38 HG13 ILE 38 4.325 4.914 -0.563 311 HG21 ILE 38 HG21 ILE 38 4.701 7.942 1.414 312 HG22 ILE 38 HG22 ILE 38 4.475 6.738 2.677 313 HG23 ILE 38 HG23 ILE 38 3.148 7.839 2.272 314 HD11 ILE 38 HD11 ILE 38 5.286 7.110 -1.083 315 HD12 ILE 38 HD12 ILE 38 6.480 5.829 -0.879 316 HD13 ILE 38 HD13 ILE 38 6.249 7.007 0.414 317 H VAL 39 H VAL 39 1.922 5.850 3.893 318 HA VAL 39 HA VAL 39 -0.662 6.997 2.995 319 HB VAL 39 HB VAL 39 -0.010 5.994 5.791 320 HG11 VAL 39 HG11 VAL 39 -1.728 7.633 5.756 321 HG12 VAL 39 HG12 VAL 39 -2.403 6.057 6.160 322 HG13 VAL 39 HG13 VAL 39 -2.632 6.722 4.538 323 HG21 VAL 39 HG21 VAL 39 -1.380 4.020 5.324 324 HG22 VAL 39 HG22 VAL 39 0.051 4.083 4.300 325 HG23 VAL 39 HG23 VAL 39 -1.526 4.521 3.637 326 H ALA 40 H ALA 40 -0.820 9.217 3.379 327 HA ALA 40 HA ALA 40 1.129 10.215 5.306 328 HB1 ALA 40 HB1 ALA 40 1.953 11.901 3.877 329 HB2 ALA 40 HB2 ALA 40 0.764 11.481 2.632 330 HB3 ALA 40 HB3 ALA 40 2.063 10.354 3.067 331 H ARG 41 H ARG 41 0.846 12.174 6.066 332 HA ARG 41 HA ARG 41 -1.910 13.047 6.318 333 HB2 ARG 41 HB2 ARG 41 0.509 13.136 7.928 334 HB3 ARG 41 HB3 ARG 41 -0.546 14.520 8.090 335 HG2 ARG 41 HG2 ARG 41 -1.483 11.701 8.366 336 HG3 ARG 41 HG3 ARG 41 -0.863 12.696 9.686 337 HD2 ARG 41 HD2 ARG 41 -2.496 14.364 9.232 338 HD3 ARG 41 HD3 ARG 41 -3.191 13.368 7.947 339 HE ARG 41 HE ARG 41 -3.029 11.845 10.300 340 HH11 ARG 41 HH11 ARG 41 -5.024 14.560 9.090 341 HH12 ARG 41 HH12 ARG 41 -6.366 14.061 9.976 342 HH21 ARG 41 HH21 ARG 41 -4.967 11.257 11.488 343 HH22 ARG 41 HH22 ARG 41 -6.365 12.208 11.320 344 H LEU 42 H LEU 42 -2.572 14.867 5.699 345 HA LEU 42 HA LEU 42 -0.764 16.441 3.987 346 HB2 LEU 42 HB2 LEU 42 -3.757 16.269 4.018 347 HB3 LEU 42 HB3 LEU 42 -2.801 17.167 2.836 348 HG LEU 42 HG LEU 42 -2.894 14.177 3.227 349 HD11 LEU 42 HD11 LEU 42 -4.815 15.043 2.062 350 HD12 LEU 42 HD12 LEU 42 -3.769 14.144 0.957 351 HD13 LEU 42 HD13 LEU 42 -3.760 15.909 0.947 352 HD21 LEU 42 HD21 LEU 42 -1.407 14.042 1.314 353 HD22 LEU 42 HD22 LEU 42 -0.653 14.839 2.695 354 HD23 LEU 42 HD23 LEU 42 -1.237 15.807 1.337 355 H LYS 43 H LYS 43 -0.560 18.584 4.148 356 HA LYS 43 HA LYS 43 -1.170 19.777 6.740 357 HB2 LYS 43 HB2 LYS 43 0.262 20.841 4.318 358 HB3 LYS 43 HB3 LYS 43 0.134 21.702 5.833 359 HG2 LYS 43 HG2 LYS 43 1.426 20.002 6.941 360 HG3 LYS 43 HG3 LYS 43 1.493 19.028 5.460 361 HD2 LYS 43 HD2 LYS 43 3.577 20.253 5.768 362 HD3 LYS 43 HD3 LYS 43 2.720 20.873 4.361 363 HE2 LYS 43 HE2 LYS 43 1.850 22.737 5.771 364 HE3 LYS 43 HE3 LYS 43 2.804 22.091 7.111 365 HZ1 LYS 43 HZ1 LYS 43 4.802 22.499 5.838 366 HZ2 LYS 43 HZ2 LYS 43 3.910 23.907 6.028 367 HZ3 LYS 43 HZ3 LYS 43 3.911 23.109 4.544 368 H ASN 44 H ASN 44 -1.916 20.374 3.334 369 HA ASN 44 HA ASN 44 -3.567 22.659 3.970 370 HB2 ASN 44 HB2 ASN 44 -3.004 21.317 1.317 371 HB3 ASN 44 HB3 ASN 44 -3.957 22.782 1.509 372 HD21 ASN 44 HD21 ASN 44 -0.788 21.401 1.601 373 HD22 ASN 44 HD22 ASN 44 0.100 22.881 1.655 374 H ASN 45 H ASN 45 -3.943 19.360 3.383 375 HA ASN 45 HA ASN 45 -6.836 19.623 2.994 376 HB2 ASN 45 HB2 ASN 45 -5.101 17.161 2.834 377 HB3 ASN 45 HB3 ASN 45 -6.822 17.228 2.500 378 HD21 ASN 45 HD21 ASN 45 -6.507 16.447 0.498 379 HD22 ASN 45 HD22 ASN 45 -5.839 17.345 -0.810 380 H ASN 46 H ASN 46 -4.488 18.912 5.368 381 HA ASN 46 HA ASN 46 -4.585 18.461 7.557 382 HB2 ASN 46 HB2 ASN 46 -6.485 20.028 7.644 383 HB3 ASN 46 HB3 ASN 46 -7.590 18.737 7.204 384 HD21 ASN 46 HD21 ASN 46 -5.712 20.176 9.710 385 HD22 ASN 46 HD22 ASN 46 -6.389 19.294 11.031 386 H ARG 47 H ARG 47 -5.711 16.351 5.264 387 HA ARG 47 HA ARG 47 -6.668 14.362 7.186 388 HB2 ARG 47 HB2 ARG 47 -7.745 13.286 5.291 389 HB3 ARG 47 HB3 ARG 47 -8.124 15.008 5.434 390 HG2 ARG 47 HG2 ARG 47 -6.576 15.521 3.728 391 HG3 ARG 47 HG3 ARG 47 -6.190 13.811 3.539 392 HD2 ARG 47 HD2 ARG 47 -8.558 13.339 2.997 393 HD3 ARG 47 HD3 ARG 47 -8.929 15.052 3.143 394 HE ARG 47 HE ARG 47 -7.063 14.024 1.095 395 HH11 ARG 47 HH11 ARG 47 -9.918 15.979 1.950 396 HH12 ARG 47 HH12 ARG 47 -10.144 16.514 0.366 397 HH21 ARG 47 HH21 ARG 47 -7.419 14.733 -0.982 398 HH22 ARG 47 HH22 ARG 47 -8.692 15.806 -1.390 399 H GLN 48 H GLN 48 -6.108 12.085 6.855 400 HA GLN 48 HA GLN 48 -3.402 11.805 5.913 401 HB2 GLN 48 HB2 GLN 48 -3.908 11.159 8.178 402 HB3 GLN 48 HB3 GLN 48 -5.134 10.016 7.612 403 HG2 GLN 48 HG2 GLN 48 -3.443 8.844 6.395 404 HG3 GLN 48 HG3 GLN 48 -2.250 10.012 6.984 405 HE21 GLN 48 HE21 GLN 48 -1.043 8.372 8.002 406 HE22 GLN 48 HE22 GLN 48 -1.577 7.625 9.446 407 H VAL 49 H VAL 49 -3.179 10.687 3.981 408 HA VAL 49 HA VAL 49 -5.362 8.915 3.064 409 HB VAL 49 HB VAL 49 -4.048 10.888 1.231 410 HG11 VAL 49 HG11 VAL 49 -4.937 9.086 0.027 411 HG12 VAL 49 HG12 VAL 49 -6.168 10.390 -0.121 412 HG13 VAL 49 HG13 VAL 49 -6.405 9.077 0.993 413 HG21 VAL 49 HG21 VAL 49 -5.246 12.202 2.788 414 HG22 VAL 49 HG22 VAL 49 -6.712 11.228 2.584 415 HG23 VAL 49 HG23 VAL 49 -6.106 12.213 1.239 416 H CYS 50 H CYS 50 -4.685 7.353 1.529 417 HA CYS 50 HA CYS 50 -1.940 6.655 1.563 418 HB2 CYS 50 HB2 CYS 50 -4.281 5.544 0.041 419 HB3 CYS 50 HB3 CYS 50 -2.659 4.876 -0.057 420 H ILE 51 H ILE 51 -0.430 6.947 0.172 421 HA ILE 51 HA ILE 51 -0.848 8.663 -2.140 422 HB ILE 51 HB ILE 51 1.568 7.974 -0.478 423 HG12 ILE 51 HG12 ILE 51 0.119 10.582 -0.898 424 HG13 ILE 51 HG13 ILE 51 0.145 9.616 0.578 425 HG21 ILE 51 HG21 ILE 51 2.311 8.122 -2.740 426 HG22 ILE 51 HG22 ILE 51 2.813 9.585 -1.863 427 HG23 ILE 51 HG23 ILE 51 1.401 9.617 -2.939 428 HD11 ILE 51 HD11 ILE 51 2.514 10.964 -0.691 429 HD12 ILE 51 HD12 ILE 51 2.537 10.020 0.794 430 HD13 ILE 51 HD13 ILE 51 1.643 11.539 0.731 431 H ASP 52 H ASP 52 -0.211 7.975 -4.131 432 HA ASP 52 HA ASP 52 0.194 5.151 -4.490 433 HB2 ASP 52 HB2 ASP 52 -1.379 6.356 -5.925 434 HB3 ASP 52 HB3 ASP 52 -0.083 7.399 -6.483 435 HA PRO 53 HA PRO 53 4.607 5.548 -4.552 436 HB2 PRO 53 HB2 PRO 53 5.184 3.231 -5.867 437 HB3 PRO 53 HB3 PRO 53 4.701 3.318 -4.166 438 HG2 PRO 53 HG2 PRO 53 2.996 2.800 -6.574 439 HG3 PRO 53 HG3 PRO 53 3.074 1.872 -5.061 440 HD2 PRO 53 HD2 PRO 53 1.129 3.617 -5.412 441 HD3 PRO 53 HD3 PRO 53 1.981 3.546 -3.847 442 H LYS 54 H LYS 54 2.672 5.609 -7.442 443 HA LYS 54 HA LYS 54 5.007 5.800 -9.170 444 HB2 LYS 54 HB2 LYS 54 2.075 5.972 -9.971 445 HB3 LYS 54 HB3 LYS 54 3.498 5.946 -11.013 446 HG2 LYS 54 HG2 LYS 54 2.767 3.689 -9.195 447 HG3 LYS 54 HG3 LYS 54 2.294 3.793 -10.893 448 HD2 LYS 54 HD2 LYS 54 5.088 3.998 -9.914 449 HD3 LYS 54 HD3 LYS 54 4.389 2.447 -10.462 450 HE2 LYS 54 HE2 LYS 54 4.031 3.566 -12.678 451 HE3 LYS 54 HE3 LYS 54 4.840 4.997 -12.053 452 HZ1 LYS 54 HZ1 LYS 54 6.045 2.310 -12.410 453 HZ2 LYS 54 HZ2 LYS 54 6.832 3.614 -11.696 454 HZ3 LYS 54 HZ3 LYS 54 6.391 3.688 -13.302 455 H LEU 55 H LEU 55 3.397 7.915 -7.211 456 HA LEU 55 HA LEU 55 3.324 10.302 -8.734 457 HB2 LEU 55 HB2 LEU 55 3.909 9.737 -5.886 458 HB3 LEU 55 HB3 LEU 55 3.898 11.379 -6.430 459 HG LEU 55 HG LEU 55 1.580 9.419 -6.293 460 HD11 LEU 55 HD11 LEU 55 0.658 10.983 -4.750 461 HD12 LEU 55 HD12 LEU 55 1.966 12.131 -5.054 462 HD13 LEU 55 HD13 LEU 55 2.306 10.598 -4.254 463 HD21 LEU 55 HD21 LEU 55 1.375 10.696 -8.376 464 HD22 LEU 55 HD22 LEU 55 1.603 12.196 -7.461 465 HD23 LEU 55 HD23 LEU 55 0.177 11.202 -7.189 466 H LYS 56 H LYS 56 4.703 11.741 -9.397 467 HA LYS 56 HA LYS 56 7.285 10.822 -10.009 468 HB2 LYS 56 HB2 LYS 56 5.980 12.374 -11.425 469 HB3 LYS 56 HB3 LYS 56 6.199 13.624 -10.213 470 HG2 LYS 56 HG2 LYS 56 8.582 13.630 -10.603 471 HG3 LYS 56 HG3 LYS 56 8.418 12.295 -11.748 472 HD2 LYS 56 HD2 LYS 56 6.974 13.709 -13.152 473 HD3 LYS 56 HD3 LYS 56 7.212 15.046 -12.027 474 HE2 LYS 56 HE2 LYS 56 9.601 15.017 -12.483 475 HE3 LYS 56 HE3 LYS 56 9.390 13.646 -13.570 476 HZ1 LYS 56 HZ1 LYS 56 7.982 15.051 -14.970 477 HZ2 LYS 56 HZ2 LYS 56 9.527 15.683 -14.811 478 HZ3 LYS 56 HZ3 LYS 56 8.261 16.366 -13.945 479 H TRP 57 H TRP 57 6.118 13.022 -7.521 480 HA TRP 57 HA TRP 57 8.798 13.696 -6.746 481 HB2 TRP 57 HB2 TRP 57 7.861 14.838 -4.822 482 HB3 TRP 57 HB3 TRP 57 6.934 15.251 -6.251 483 HD1 TRP 57 HD1 TRP 57 4.390 14.313 -6.333 484 HE1 TRP 57 HE1 TRP 57 2.805 13.624 -4.430 485 HE3 TRP 57 HE3 TRP 57 7.807 13.633 -2.623 486 HZ2 TRP 57 HZ2 TRP 57 2.963 12.871 -1.773 487 HZ3 TRP 57 HZ3 TRP 57 7.036 12.923 -0.428 488 HH2 TRP 57 HH2 TRP 57 4.641 12.539 0.015 489 H ILE 58 H ILE 58 6.577 11.205 -5.996 490 HA ILE 58 HA ILE 58 7.825 10.251 -3.670 491 HB ILE 58 HB ILE 58 5.905 9.063 -5.658 492 HG12 ILE 58 HG12 ILE 58 5.026 10.710 -4.091 493 HG13 ILE 58 HG13 ILE 58 4.332 9.114 -3.809 494 HG21 ILE 58 HG21 ILE 58 7.006 7.619 -3.270 495 HG22 ILE 58 HG22 ILE 58 7.185 7.184 -4.991 496 HG23 ILE 58 HG23 ILE 58 5.588 7.176 -4.224 497 HD11 ILE 58 HD11 ILE 58 4.834 10.186 -1.713 498 HD12 ILE 58 HD12 ILE 58 6.499 10.441 -2.197 499 HD13 ILE 58 HD13 ILE 58 5.901 8.800 -1.943 500 H GLN 59 H GLN 59 8.121 9.538 -7.107 501 HA GLN 59 HA GLN 59 9.939 7.429 -7.078 502 HB2 GLN 59 HB2 GLN 59 9.912 9.807 -8.915 503 HB3 GLN 59 HB3 GLN 59 10.755 8.293 -9.213 504 HG2 GLN 59 HG2 GLN 59 8.638 7.109 -9.306 505 HG3 GLN 59 HG3 GLN 59 7.773 8.601 -8.946 506 HE21 GLN 59 HE21 GLN 59 7.623 6.841 -11.261 507 HE22 GLN 59 HE22 GLN 59 7.970 7.820 -12.638 508 H GLU 60 H GLU 60 10.567 10.893 -7.106 509 HA GLU 60 HA GLU 60 13.360 10.791 -6.815 510 HB2 GLU 60 HB2 GLU 60 11.374 12.921 -6.062 511 HB3 GLU 60 HB3 GLU 60 13.115 13.136 -5.991 512 HG2 GLU 60 HG2 GLU 60 11.517 12.499 -8.452 513 HG3 GLU 60 HG3 GLU 60 12.175 14.080 -8.020 514 H TYR 61 H TYR 61 10.758 11.066 -4.482 515 HA TYR 61 HA TYR 61 12.293 11.432 -2.207 516 HB2 TYR 61 HB2 TYR 61 9.915 11.857 -2.147 517 HB3 TYR 61 HB3 TYR 61 9.565 10.177 -2.538 518 HD1 TYR 61 HD1 TYR 61 11.389 12.162 0.020 519 HD2 TYR 61 HD2 TYR 61 8.960 8.754 -0.782 520 HE1 TYR 61 HE1 TYR 61 11.381 11.605 2.388 521 HE2 TYR 61 HE2 TYR 61 8.964 8.174 1.548 522 HH TYR 61 HH TYR 61 10.061 10.390 3.928 523 H LEU 62 H LEU 62 11.242 8.453 -3.767 524 HA LEU 62 HA LEU 62 12.135 6.792 -1.666 525 HB2 LEU 62 HB2 LEU 62 11.636 6.107 -4.548 526 HB3 LEU 62 HB3 LEU 62 11.861 4.940 -3.255 527 HG LEU 62 HG LEU 62 9.594 6.901 -3.509 528 HD11 LEU 62 HD11 LEU 62 9.671 3.915 -3.771 529 HD12 LEU 62 HD12 LEU 62 9.440 5.097 -5.067 530 HD13 LEU 62 HD13 LEU 62 8.219 4.927 -3.804 531 HD21 LEU 62 HD21 LEU 62 8.666 5.800 -1.532 532 HD22 LEU 62 HD22 LEU 62 10.218 6.575 -1.194 533 HD23 LEU 62 HD23 LEU 62 10.140 4.824 -1.390 534 H GLU 63 H GLU 63 13.562 7.578 -4.764 535 HA GLU 63 HA GLU 63 15.916 6.039 -4.175 536 HB2 GLU 63 HB2 GLU 63 16.851 6.957 -6.263 537 HB3 GLU 63 HB3 GLU 63 15.275 6.216 -6.484 538 HG2 GLU 63 HG2 GLU 63 14.241 8.431 -6.517 539 HG3 GLU 63 HG3 GLU 63 15.823 9.169 -6.278 540 H LYS 64 H LYS 64 14.993 9.032 -3.108 541 HA LYS 64 HA LYS 64 17.781 9.691 -2.701 542 HB2 LYS 64 HB2 LYS 64 15.397 11.464 -2.689 543 HB3 LYS 64 HB3 LYS 64 16.976 11.972 -2.080 544 HG2 LYS 64 HG2 LYS 64 17.965 11.320 -4.272 545 HG3 LYS 64 HG3 LYS 64 16.330 11.027 -4.858 546 HD2 LYS 64 HD2 LYS 64 15.737 13.290 -4.474 547 HD3 LYS 64 HD3 LYS 64 17.309 13.510 -3.663 548 HE2 LYS 64 HE2 LYS 64 17.365 14.453 -5.982 549 HE3 LYS 64 HE3 LYS 64 18.502 13.131 -5.708 550 HZ1 LYS 64 HZ1 LYS 64 17.492 12.832 -7.810 551 HZ2 LYS 64 HZ2 LYS 64 15.911 12.927 -7.220 552 HZ3 LYS 64 HZ3 LYS 64 16.937 11.640 -6.811 553 H ALA 65 H ALA 65 14.740 9.317 -0.842 554 HA ALA 65 HA ALA 65 16.154 9.936 1.593 555 HB1 ALA 65 HB1 ALA 65 13.804 10.588 1.308 556 HB2 ALA 65 HB2 ALA 65 14.041 9.557 2.720 557 HB3 ALA 65 HB3 ALA 65 13.354 8.885 1.243 558 H LEU 66 H LEU 66 14.993 7.033 -0.018 559 HA LEU 66 HA LEU 66 15.783 5.414 2.227 560 HB2 LEU 66 HB2 LEU 66 14.691 4.671 -0.486 561 HB3 LEU 66 HB3 LEU 66 15.254 3.469 0.648 562 HG LEU 66 HG LEU 66 13.491 4.197 2.251 563 HD11 LEU 66 HD11 LEU 66 12.525 5.931 0.003 564 HD12 LEU 66 HD12 LEU 66 13.181 6.491 1.539 565 HD13 LEU 66 HD13 LEU 66 11.655 5.607 1.503 566 HD21 LEU 66 HD21 LEU 66 11.608 3.219 1.035 567 HD22 LEU 66 HD22 LEU 66 13.100 2.312 0.776 568 HD23 LEU 66 HD23 LEU 66 12.499 3.397 -0.475 569 H ASN 67 H ASN 67 17.166 6.528 -0.691 570 HA ASN 67 HA ASN 67 19.279 4.616 -0.803 571 HB2 ASN 67 HB2 ASN 67 18.631 6.048 -2.750 572 HB3 ASN 67 HB3 ASN 67 19.268 7.436 -1.890 573 HD21 ASN 67 HD21 ASN 67 21.476 7.757 -1.809 574 HD22 ASN 67 HD22 ASN 67 22.598 6.824 -2.706 575 H LYS 68 H LYS 68 18.946 7.879 0.497 576 HA LYS 68 HA LYS 68 20.123 9.130 1.841 577 HB2 LYS 68 HB2 LYS 68 20.608 8.174 4.069 578 HB3 LYS 68 HB3 LYS 68 18.971 7.936 3.494 579 HG2 LYS 68 HG2 LYS 68 19.587 5.609 2.885 580 HG3 LYS 68 HG3 LYS 68 21.179 5.894 3.592 581 HD2 LYS 68 HD2 LYS 68 18.595 6.249 4.970 582 HD3 LYS 68 HD3 LYS 68 19.568 4.764 5.122 583 HE2 LYS 68 HE2 LYS 68 21.410 6.229 6.020 584 HE3 LYS 68 HE3 LYS 68 20.283 7.579 5.973 585 HZ1 LYS 68 HZ1 LYS 68 18.876 6.452 7.553 586 HZ2 LYS 68 HZ2 LYS 68 20.442 6.612 8.152 587 HZ3 LYS 68 HZ3 LYS 68 19.912 5.115 7.579 Start of MODEL 9 1 H LYS 1 H LYS 1 -22.279 -5.937 2.905 2 HA LYS 1 HA LYS 1 -20.932 -7.870 4.676 3 HB2 LYS 1 HB2 LYS 1 -21.333 -7.860 1.663 4 HB3 LYS 1 HB3 LYS 1 -20.387 -9.026 2.559 5 HG2 LYS 1 HG2 LYS 1 -23.354 -8.629 2.905 6 HG3 LYS 1 HG3 LYS 1 -22.613 -9.852 1.878 7 HD2 LYS 1 HD2 LYS 1 -21.543 -10.868 3.806 8 HD3 LYS 1 HD3 LYS 1 -22.178 -9.607 4.857 9 HE2 LYS 1 HE2 LYS 1 -23.509 -11.660 5.022 10 HE3 LYS 1 HE3 LYS 1 -24.455 -10.324 4.368 11 HZ1 LYS 1 HZ1 LYS 1 -24.842 -12.391 3.151 12 HZ2 LYS 1 HZ2 LYS 1 -23.204 -12.475 2.717 13 HZ3 LYS 1 HZ3 LYS 1 -24.160 -11.226 2.165 14 HA PRO 2 HA PRO 2 -17.486 -5.245 3.676 15 HB2 PRO 2 HB2 PRO 2 -15.475 -6.755 4.669 16 HB3 PRO 2 HB3 PRO 2 -16.583 -5.876 5.722 17 HG2 PRO 2 HG2 PRO 2 -16.475 -8.774 5.102 18 HG3 PRO 2 HG3 PRO 2 -17.013 -7.957 6.576 19 HD2 PRO 2 HD2 PRO 2 -18.672 -9.011 4.557 20 HD3 PRO 2 HD3 PRO 2 -19.162 -7.905 5.852 21 H VAL 3 H VAL 3 -17.665 -5.458 1.412 22 HA VAL 3 HA VAL 3 -16.574 -7.780 0.152 23 HB VAL 3 HB VAL 3 -17.453 -5.174 -1.124 24 HG11 VAL 3 HG11 VAL 3 -17.584 -6.478 -3.209 25 HG12 VAL 3 HG12 VAL 3 -16.970 -7.893 -2.356 26 HG13 VAL 3 HG13 VAL 3 -15.949 -6.473 -2.555 27 HG21 VAL 3 HG21 VAL 3 -19.289 -6.246 0.069 28 HG22 VAL 3 HG22 VAL 3 -18.964 -7.764 -0.767 29 HG23 VAL 3 HG23 VAL 3 -19.530 -6.359 -1.675 30 H SER 4 H SER 4 -14.536 -8.021 0.393 31 HA SER 4 HA SER 4 -12.713 -6.027 -0.712 32 HB2 SER 4 HB2 SER 4 -12.386 -7.184 2.069 33 HB3 SER 4 HB3 SER 4 -11.211 -6.157 1.244 34 HG SER 4 HG SER 4 -13.600 -5.012 1.149 35 H LEU 5 H LEU 5 -13.551 -9.269 0.173 36 HA LEU 5 HA LEU 5 -12.917 -11.252 -0.427 37 HB2 LEU 5 HB2 LEU 5 -11.324 -9.821 -2.561 38 HB3 LEU 5 HB3 LEU 5 -11.381 -11.566 -2.436 39 HG LEU 5 HG LEU 5 -13.854 -11.446 -2.858 40 HD11 LEU 5 HD11 LEU 5 -14.300 -9.169 -2.137 41 HD12 LEU 5 HD12 LEU 5 -14.814 -9.423 -3.806 42 HD13 LEU 5 HD13 LEU 5 -13.320 -8.551 -3.465 43 HD21 LEU 5 HD21 LEU 5 -13.650 -10.984 -5.255 44 HD22 LEU 5 HD22 LEU 5 -12.309 -11.956 -4.654 45 HD23 LEU 5 HD23 LEU 5 -12.079 -10.241 -4.969 46 H SER 6 H SER 6 -9.829 -9.633 -1.012 47 HA SER 6 HA SER 6 -8.679 -10.452 1.431 48 HB2 SER 6 HB2 SER 6 -8.826 -12.686 0.304 49 HB3 SER 6 HB3 SER 6 -7.858 -12.047 -1.017 50 HG SER 6 HG SER 6 -7.131 -12.391 1.680 51 H TYR 7 H TYR 7 -7.026 -9.015 1.725 52 HA TYR 7 HA TYR 7 -5.810 -8.035 -0.703 53 HB2 TYR 7 HB2 TYR 7 -5.283 -5.894 0.368 54 HB3 TYR 7 HB3 TYR 7 -7.004 -6.212 0.323 55 HD1 TYR 7 HD1 TYR 7 -8.085 -6.921 2.347 56 HD2 TYR 7 HD2 TYR 7 -4.178 -5.529 2.290 57 HE1 TYR 7 HE1 TYR 7 -8.279 -6.414 4.830 58 HE2 TYR 7 HE2 TYR 7 -4.251 -5.003 4.734 59 HH TYR 7 HH TYR 7 -6.748 -6.118 6.749 60 H ARG 8 H ARG 8 -3.862 -8.671 -1.042 61 HA ARG 8 HA ARG 8 -2.262 -9.778 1.111 62 HB2 ARG 8 HB2 ARG 8 -1.719 -9.504 -1.846 63 HB3 ARG 8 HB3 ARG 8 -0.659 -10.323 -0.716 64 HG2 ARG 8 HG2 ARG 8 -2.370 -11.976 -0.265 65 HG3 ARG 8 HG3 ARG 8 -3.495 -11.128 -1.330 66 HD2 ARG 8 HD2 ARG 8 -2.025 -11.516 -3.216 67 HD3 ARG 8 HD3 ARG 8 -0.853 -12.313 -2.172 68 HE ARG 8 HE ARG 8 -3.156 -13.692 -1.790 69 HH11 ARG 8 HH11 ARG 8 -1.244 -12.840 -4.638 70 HH12 ARG 8 HH12 ARG 8 -1.642 -14.249 -5.518 71 HH21 ARG 8 HH21 ARG 8 -3.695 -15.647 -3.003 72 HH22 ARG 8 HH22 ARG 8 -3.062 -15.884 -4.564 73 H CYS 9 H CYS 9 -2.323 -7.084 -1.061 74 HA CYS 9 HA CYS 9 0.009 -5.891 0.194 75 HB2 CYS 9 HB2 CYS 9 -1.713 -4.842 -2.078 76 HB3 CYS 9 HB3 CYS 9 -0.144 -4.249 -1.571 77 HA PRO 10 HA PRO 10 -2.822 -3.878 3.123 78 HB2 PRO 10 HB2 PRO 10 -0.547 -1.944 3.109 79 HB3 PRO 10 HB3 PRO 10 -1.394 -2.660 4.485 80 HG2 PRO 10 HG2 PRO 10 1.028 -3.505 3.731 81 HG3 PRO 10 HG3 PRO 10 -0.183 -4.634 4.372 82 HD2 PRO 10 HD2 PRO 10 0.807 -4.256 1.604 83 HD3 PRO 10 HD3 PRO 10 0.136 -5.707 2.377 84 H CYS 11 H CYS 11 -0.916 -1.995 0.804 85 HA CYS 11 HA CYS 11 -3.225 -0.275 0.432 86 HB2 CYS 11 HB2 CYS 11 -0.328 0.218 -0.193 87 HB3 CYS 11 HB3 CYS 11 -1.640 1.321 -0.600 88 H ARG 12 H ARG 12 -4.413 -1.165 -1.104 89 HA ARG 12 HA ARG 12 -3.111 -1.847 -3.653 90 HB2 ARG 12 HB2 ARG 12 -5.918 -2.415 -2.689 91 HB3 ARG 12 HB3 ARG 12 -5.277 -2.864 -4.256 92 HG2 ARG 12 HG2 ARG 12 -3.714 -4.384 -3.213 93 HG3 ARG 12 HG3 ARG 12 -4.260 -3.885 -1.610 94 HD2 ARG 12 HD2 ARG 12 -5.945 -5.199 -3.736 95 HD3 ARG 12 HD3 ARG 12 -5.327 -5.982 -2.279 96 HE ARG 12 HE ARG 12 -6.649 -3.918 -1.269 97 HH11 ARG 12 HH11 ARG 12 -7.656 -6.380 -3.630 98 HH12 ARG 12 HH12 ARG 12 -9.301 -6.304 -3.258 99 HH21 ARG 12 HH21 ARG 12 -8.955 -3.836 -0.711 100 HH22 ARG 12 HH22 ARG 12 -10.056 -4.818 -1.570 101 H PHE 13 H PHE 13 -5.143 0.372 -1.988 102 HA PHE 13 HA PHE 13 -6.087 1.554 -4.476 103 HB2 PHE 13 HB2 PHE 13 -6.853 2.190 -1.658 104 HB3 PHE 13 HB3 PHE 13 -7.662 2.750 -3.096 105 HD1 PHE 13 HD1 PHE 13 -8.362 0.706 -4.721 106 HD2 PHE 13 HD2 PHE 13 -7.961 0.502 -0.500 107 HE1 PHE 13 HE1 PHE 13 -9.896 -1.207 -4.674 108 HE2 PHE 13 HE2 PHE 13 -9.489 -1.417 -0.441 109 HZ PHE 13 HZ PHE 13 -10.459 -2.276 -2.530 110 H PHE 14 H PHE 14 -4.989 3.186 -5.155 111 HA PHE 14 HA PHE 14 -3.384 4.706 -3.239 112 HB2 PHE 14 HB2 PHE 14 -2.973 4.516 -6.238 113 HB3 PHE 14 HB3 PHE 14 -1.997 5.436 -5.107 114 HD1 PHE 14 HD1 PHE 14 -0.980 4.037 -3.138 115 HD2 PHE 14 HD2 PHE 14 -2.300 2.418 -6.834 116 HE1 PHE 14 HE1 PHE 14 0.458 2.088 -2.789 117 HE2 PHE 14 HE2 PHE 14 -0.878 0.470 -6.498 118 HZ PHE 14 HZ PHE 14 0.518 0.285 -4.470 119 H GLU 15 H GLU 15 -3.860 6.722 -2.843 120 HA GLU 15 HA GLU 15 -6.172 7.926 -3.874 121 HB2 GLU 15 HB2 GLU 15 -4.832 8.176 -1.664 122 HB3 GLU 15 HB3 GLU 15 -3.866 9.329 -2.564 123 HG2 GLU 15 HG2 GLU 15 -6.788 9.481 -1.911 124 HG3 GLU 15 HG3 GLU 15 -5.465 10.448 -1.267 125 H SER 16 H SER 16 -2.729 8.580 -4.152 126 HA SER 16 HA SER 16 -1.332 9.420 -5.624 127 HB2 SER 16 HB2 SER 16 -1.700 8.999 -8.077 128 HB3 SER 16 HB3 SER 16 -1.832 7.584 -7.039 129 HG SER 16 HG SER 16 -4.250 8.624 -7.223 130 H HIS 17 H HIS 17 -4.114 11.151 -5.174 131 HA HIS 17 HA HIS 17 -3.227 13.309 -6.975 132 HB2 HIS 17 HB2 HIS 17 -5.661 12.524 -6.989 133 HB3 HIS 17 HB3 HIS 17 -5.770 13.072 -5.322 134 HD1 HIS 17 HD1 HIS 17 -5.139 14.411 -8.788 135 HD2 HIS 17 HD2 HIS 17 -6.362 15.763 -5.069 136 HE1 HIS 17 HE1 HIS 17 -5.780 16.768 -9.145 137 HE2 HIS 17 HE2 HIS 17 -6.686 17.548 -6.930 138 H VAL 18 H VAL 18 -1.978 12.288 -4.608 139 HA VAL 18 HA VAL 18 -2.356 14.273 -2.522 140 HB VAL 18 HB VAL 18 -0.530 11.856 -2.617 141 HG11 VAL 18 HG11 VAL 18 -0.455 12.114 -0.181 142 HG12 VAL 18 HG12 VAL 18 -1.389 13.600 -0.335 143 HG13 VAL 18 HG13 VAL 18 0.219 13.503 -1.041 144 HG21 VAL 18 HG21 VAL 18 -2.859 11.175 -2.760 145 HG22 VAL 18 HG22 VAL 18 -3.248 12.137 -1.340 146 HG23 VAL 18 HG23 VAL 18 -2.181 10.740 -1.194 147 H ALA 19 H ALA 19 -1.047 15.969 -2.418 148 HA ALA 19 HA ALA 19 1.402 15.970 -4.018 149 HB1 ALA 19 HB1 ALA 19 -0.292 17.629 -4.661 150 HB2 ALA 19 HB2 ALA 19 1.187 18.387 -4.093 151 HB3 ALA 19 HB3 ALA 19 -0.229 18.317 -3.040 152 H ARG 20 H ARG 20 3.248 16.931 -3.169 153 HA ARG 20 HA ARG 20 4.223 16.080 -0.757 154 HB2 ARG 20 HB2 ARG 20 5.561 16.839 -2.627 155 HB3 ARG 20 HB3 ARG 20 5.015 18.481 -2.388 156 HG2 ARG 20 HG2 ARG 20 7.277 18.199 -1.620 157 HG3 ARG 20 HG3 ARG 20 6.216 18.552 -0.254 158 HD2 ARG 20 HD2 ARG 20 6.283 16.279 0.446 159 HD3 ARG 20 HD3 ARG 20 7.074 15.795 -1.058 160 HE ARG 20 HE ARG 20 8.864 17.459 -0.202 161 HH11 ARG 20 HH11 ARG 20 7.093 15.237 1.918 162 HH12 ARG 20 HH12 ARG 20 8.468 14.917 2.892 163 HH21 ARG 20 HH21 ARG 20 10.661 17.023 1.152 164 HH22 ARG 20 HH22 ARG 20 10.511 15.941 2.459 165 H ALA 21 H ALA 21 2.831 19.264 -1.438 166 HA ALA 21 HA ALA 21 3.428 20.382 1.108 167 HB1 ALA 21 HB1 ALA 21 1.412 21.231 -0.916 168 HB2 ALA 21 HB2 ALA 21 3.108 21.726 -0.896 169 HB3 ALA 21 HB3 ALA 21 2.019 22.214 0.421 170 H ASN 22 H ASN 22 0.813 18.448 -0.058 171 HA ASN 22 HA ASN 22 -0.994 19.288 2.083 172 HB2 ASN 22 HB2 ASN 22 -1.883 19.016 -0.221 173 HB3 ASN 22 HB3 ASN 22 -1.397 17.332 -0.206 174 HD21 ASN 22 HD21 ASN 22 -3.508 16.726 -0.649 175 HD22 ASN 22 HD22 ASN 22 -4.775 16.756 0.514 176 H VAL 23 H VAL 23 1.506 17.274 1.838 177 HA VAL 23 HA VAL 23 0.243 15.113 3.325 178 HB VAL 23 HB VAL 23 3.113 15.170 2.357 179 HG11 VAL 23 HG11 VAL 23 1.529 13.076 3.716 180 HG12 VAL 23 HG12 VAL 23 3.035 13.830 4.251 181 HG13 VAL 23 HG13 VAL 23 3.013 12.778 2.830 182 HG21 VAL 23 HG21 VAL 23 0.712 13.717 1.283 183 HG22 VAL 23 HG22 VAL 23 2.365 13.529 0.710 184 HG23 VAL 23 HG23 VAL 23 1.538 15.060 0.497 185 H LYS 24 H LYS 24 0.152 15.047 5.326 186 HA LYS 24 HA LYS 24 1.508 16.761 7.143 187 HB2 LYS 24 HB2 LYS 24 -0.740 16.280 7.274 188 HB3 LYS 24 HB3 LYS 24 -0.445 14.578 7.193 189 HG2 LYS 24 HG2 LYS 24 0.353 14.447 9.376 190 HG3 LYS 24 HG3 LYS 24 0.531 16.211 9.506 191 HD2 LYS 24 HD2 LYS 24 -1.994 15.029 8.723 192 HD3 LYS 24 HD3 LYS 24 -1.618 15.090 10.486 193 HE2 LYS 24 HE2 LYS 24 -1.392 17.380 8.593 194 HE3 LYS 24 HE3 LYS 24 -2.906 17.091 9.373 195 HZ1 LYS 24 HZ1 LYS 24 -0.274 17.728 10.645 196 HZ2 LYS 24 HZ2 LYS 24 -1.652 17.325 11.529 197 HZ3 LYS 24 HZ3 LYS 24 -1.622 18.726 10.610 198 H HIS 25 H HIS 25 1.509 13.382 6.170 199 HA HIS 25 HA HIS 25 3.804 12.742 7.841 200 HB2 HIS 25 HB2 HIS 25 2.074 12.281 9.389 201 HB3 HIS 25 HB3 HIS 25 1.052 11.577 8.152 202 HD1 HIS 25 HD1 HIS 25 3.711 10.706 10.637 203 HD2 HIS 25 HD2 HIS 25 1.714 8.928 7.449 204 HE1 HIS 25 HE1 HIS 25 4.039 8.264 10.942 205 HE2 HIS 25 HE2 HIS 25 2.427 7.275 9.348 206 H LEU 26 H LEU 26 5.068 11.199 6.914 207 HA LEU 26 HA LEU 26 3.988 9.601 4.712 208 HB2 LEU 26 HB2 LEU 26 6.624 11.061 4.831 209 HB3 LEU 26 HB3 LEU 26 6.317 9.743 3.722 210 HG LEU 26 HG LEU 26 4.665 12.257 3.747 211 HD11 LEU 26 HD11 LEU 26 7.004 11.482 2.023 212 HD12 LEU 26 HD12 LEU 26 7.011 12.777 3.222 213 HD13 LEU 26 HD13 LEU 26 5.975 12.901 1.791 214 HD21 LEU 26 HD21 LEU 26 5.057 10.069 1.719 215 HD22 LEU 26 HD22 LEU 26 4.019 11.475 1.529 216 HD23 LEU 26 HD23 LEU 26 3.634 10.256 2.749 217 H LYS 27 H LYS 27 3.971 7.602 5.346 218 HA LYS 27 HA LYS 27 6.192 6.522 6.989 219 HB2 LYS 27 HB2 LYS 27 3.638 6.645 7.802 220 HB3 LYS 27 HB3 LYS 27 3.459 5.304 6.714 221 HG2 LYS 27 HG2 LYS 27 5.137 5.380 9.233 222 HG3 LYS 27 HG3 LYS 27 3.636 4.513 8.986 223 HD2 LYS 27 HD2 LYS 27 5.135 2.775 8.752 224 HD3 LYS 27 HD3 LYS 27 5.074 3.367 7.083 225 HE2 LYS 27 HE2 LYS 27 7.077 4.650 7.406 226 HE3 LYS 27 HE3 LYS 27 7.133 4.225 9.114 227 HZ1 LYS 27 HZ1 LYS 27 8.698 2.872 7.883 228 HZ2 LYS 27 HZ2 LYS 27 7.526 2.368 6.807 229 HZ3 LYS 27 HZ3 LYS 27 7.453 1.872 8.413 230 H ILE 28 H ILE 28 7.405 5.231 5.585 231 HA ILE 28 HA ILE 28 6.133 4.431 3.103 232 HB ILE 28 HB ILE 28 9.035 4.030 3.903 233 HG12 ILE 28 HG12 ILE 28 7.673 6.322 2.524 234 HG13 ILE 28 HG13 ILE 28 8.530 6.382 4.068 235 HG21 ILE 28 HG21 ILE 28 8.015 2.773 1.847 236 HG22 ILE 28 HG22 ILE 28 9.437 3.802 1.609 237 HG23 ILE 28 HG23 ILE 28 7.863 4.440 1.193 238 HD11 ILE 28 HD11 ILE 28 10.588 5.709 2.739 239 HD12 ILE 28 HD12 ILE 28 9.893 7.329 2.405 240 HD13 ILE 28 HD13 ILE 28 9.511 6.004 1.335 241 H LEU 29 H LEU 29 5.386 2.425 2.743 242 HA LEU 29 HA LEU 29 6.284 0.304 4.544 243 HB2 LEU 29 HB2 LEU 29 3.660 0.644 3.108 244 HB3 LEU 29 HB3 LEU 29 4.112 -0.776 4.012 245 HG LEU 29 HG LEU 29 3.657 1.983 5.165 246 HD11 LEU 29 HD11 LEU 29 1.607 0.876 4.461 247 HD12 LEU 29 HD12 LEU 29 1.712 0.955 6.220 248 HD13 LEU 29 HD13 LEU 29 2.050 -0.560 5.384 249 HD21 LEU 29 HD21 LEU 29 3.888 0.879 7.343 250 HD22 LEU 29 HD22 LEU 29 5.379 0.785 6.411 251 HD23 LEU 29 HD23 LEU 29 4.324 -0.625 6.535 252 H ASN 30 H ASN 30 6.986 -1.528 3.639 253 HA ASN 30 HA ASN 30 6.757 -1.822 0.734 254 HB2 ASN 30 HB2 ASN 30 9.071 -1.147 1.318 255 HB3 ASN 30 HB3 ASN 30 9.171 -2.512 2.421 256 HD21 ASN 30 HD21 ASN 30 10.876 -3.391 1.335 257 HD22 ASN 30 HD22 ASN 30 10.734 -4.155 -0.204 258 H THR 31 H THR 31 5.933 -3.723 0.177 259 HA THR 31 HA THR 31 5.833 -5.761 2.264 260 HB THR 31 HB THR 31 3.767 -5.187 0.126 261 HG1 THR 31 HG1 THR 31 3.128 -3.733 1.560 262 HG21 THR 31 HG21 THR 31 3.702 -7.098 2.463 263 HG22 THR 31 HG22 THR 31 3.826 -7.543 0.757 264 HG23 THR 31 HG23 THR 31 2.359 -6.773 1.363 265 HA PRO 32 HA PRO 32 8.641 -8.081 -0.302 266 HB2 PRO 32 HB2 PRO 32 6.994 -10.319 0.789 267 HB3 PRO 32 HB3 PRO 32 8.751 -10.171 0.670 268 HG2 PRO 32 HG2 PRO 32 7.518 -9.729 2.979 269 HG3 PRO 32 HG3 PRO 32 8.893 -8.731 2.471 270 HD2 PRO 32 HD2 PRO 32 5.995 -8.028 2.576 271 HD3 PRO 32 HD3 PRO 32 7.421 -6.991 2.732 272 H ASN 33 H ASN 33 5.280 -9.283 -0.397 273 HA ASN 33 HA ASN 33 5.746 -10.292 -3.096 274 HB2 ASN 33 HB2 ASN 33 3.339 -10.556 -1.280 275 HB3 ASN 33 HB3 ASN 33 3.405 -11.209 -2.912 276 HD21 ASN 33 HD21 ASN 33 4.574 -11.524 0.338 277 HD22 ASN 33 HD22 ASN 33 5.284 -13.078 0.162 278 H CYS 34 H CYS 34 5.306 -7.341 -2.214 279 HA CYS 34 HA CYS 34 3.514 -6.687 -4.439 280 HB2 CYS 34 HB2 CYS 34 3.574 -5.308 -1.751 281 HB3 CYS 34 HB3 CYS 34 2.531 -4.909 -3.101 282 H ALA 35 H ALA 35 3.778 -3.998 -4.359 283 HA ALA 35 HA ALA 35 6.635 -3.528 -4.694 284 HB1 ALA 35 HB1 ALA 35 5.874 -1.549 -5.965 285 HB2 ALA 35 HB2 ALA 35 4.210 -1.972 -5.560 286 HB3 ALA 35 HB3 ALA 35 5.161 -3.038 -6.599 287 H LEU 36 H LEU 36 6.657 -0.780 -4.364 288 HA LEU 36 HA LEU 36 6.454 -0.519 -1.542 289 HB2 LEU 36 HB2 LEU 36 7.458 1.231 -3.724 290 HB3 LEU 36 HB3 LEU 36 7.009 1.983 -2.210 291 HG LEU 36 HG LEU 36 9.423 1.513 -2.375 292 HD11 LEU 36 HD11 LEU 36 7.947 -0.045 -0.272 293 HD12 LEU 36 HD12 LEU 36 8.346 1.668 -0.216 294 HD13 LEU 36 HD13 LEU 36 9.637 0.468 -0.176 295 HD21 LEU 36 HD21 LEU 36 8.514 -1.351 -2.367 296 HD22 LEU 36 HD22 LEU 36 10.187 -0.830 -2.140 297 HD23 LEU 36 HD23 LEU 36 9.374 -0.535 -3.679 298 H GLN 37 H GLN 37 5.361 1.051 -0.427 299 HA GLN 37 HA GLN 37 3.123 2.319 -1.675 300 HB2 GLN 37 HB2 GLN 37 1.495 1.204 -0.169 301 HB3 GLN 37 HB3 GLN 37 2.222 0.113 -1.334 302 HG2 GLN 37 HG2 GLN 37 3.887 -0.289 0.724 303 HG3 GLN 37 HG3 GLN 37 2.435 0.193 1.602 304 HE21 GLN 37 HE21 GLN 37 2.517 -1.531 -1.423 305 HE22 GLN 37 HE22 GLN 37 1.848 -2.989 -0.879 306 H ILE 38 H ILE 38 3.357 4.278 -0.915 307 HA ILE 38 HA ILE 38 4.502 4.598 1.746 308 HB ILE 38 HB ILE 38 4.104 6.719 -0.389 309 HG12 ILE 38 HG12 ILE 38 6.422 4.936 0.271 310 HG13 ILE 38 HG13 ILE 38 5.544 4.989 -1.237 311 HG21 ILE 38 HG21 ILE 38 5.787 7.950 0.955 312 HG22 ILE 38 HG22 ILE 38 5.793 6.615 2.109 313 HG23 ILE 38 HG23 ILE 38 4.340 7.592 1.908 314 HD11 ILE 38 HD11 ILE 38 6.389 7.336 -1.524 315 HD12 ILE 38 HD12 ILE 38 7.537 6.023 -1.635 316 HD13 ILE 38 HD13 ILE 38 7.500 6.996 -0.162 317 H VAL 39 H VAL 39 3.380 5.558 3.322 318 HA VAL 39 HA VAL 39 0.564 6.060 2.650 319 HB VAL 39 HB VAL 39 1.733 5.330 5.355 320 HG11 VAL 39 HG11 VAL 39 -0.281 6.654 5.566 321 HG12 VAL 39 HG12 VAL 39 -0.598 4.983 6.032 322 HG13 VAL 39 HG13 VAL 39 -1.133 5.579 4.459 323 HG21 VAL 39 HG21 VAL 39 0.658 3.153 5.025 324 HG22 VAL 39 HG22 VAL 39 1.888 3.470 3.802 325 HG23 VAL 39 HG23 VAL 39 0.176 3.642 3.401 326 H ALA 40 H ALA 40 -0.243 8.011 2.903 327 HA ALA 40 HA ALA 40 1.320 9.979 4.420 328 HB1 ALA 40 HB1 ALA 40 0.808 11.630 2.752 329 HB2 ALA 40 HB2 ALA 40 -0.118 10.411 1.846 330 HB3 ALA 40 HB3 ALA 40 1.643 10.251 2.066 331 H ARG 41 H ARG 41 0.178 11.550 5.405 332 HA ARG 41 HA ARG 41 -2.706 11.145 5.469 333 HB2 ARG 41 HB2 ARG 41 -1.522 10.663 7.613 334 HB3 ARG 41 HB3 ARG 41 -0.986 12.337 7.603 335 HG2 ARG 41 HG2 ARG 41 -3.128 13.166 7.966 336 HG3 ARG 41 HG3 ARG 41 -3.881 11.609 7.578 337 HD2 ARG 41 HD2 ARG 41 -2.871 10.588 9.360 338 HD3 ARG 41 HD3 ARG 41 -1.949 12.044 9.778 339 HE ARG 41 HE ARG 41 -4.532 12.874 9.968 340 HH11 ARG 41 HH11 ARG 41 -2.965 10.006 11.333 341 HH12 ARG 41 HH12 ARG 41 -3.847 10.045 12.783 342 HH21 ARG 41 HH21 ARG 41 -5.721 12.940 11.906 343 HH22 ARG 41 HH22 ARG 41 -5.500 11.771 13.129 344 H LEU 42 H LEU 42 -3.960 12.776 5.116 345 HA LEU 42 HA LEU 42 -2.655 15.013 3.760 346 HB2 LEU 42 HB2 LEU 42 -5.584 14.397 3.945 347 HB3 LEU 42 HB3 LEU 42 -4.858 15.635 2.940 348 HG LEU 42 HG LEU 42 -4.649 12.657 2.644 349 HD11 LEU 42 HD11 LEU 42 -6.659 13.677 1.785 350 HD12 LEU 42 HD12 LEU 42 -5.631 13.088 0.483 351 HD13 LEU 42 HD13 LEU 42 -5.696 14.815 0.844 352 HD21 LEU 42 HD21 LEU 42 -3.210 13.073 0.729 353 HD22 LEU 42 HD22 LEU 42 -2.477 13.594 2.248 354 HD23 LEU 42 HD23 LEU 42 -3.163 14.795 1.144 355 H LYS 43 H LYS 43 -2.531 16.976 4.392 356 HA LYS 43 HA LYS 43 -3.056 17.810 6.975 357 HB2 LYS 43 HB2 LYS 43 -2.541 19.359 4.476 358 HB3 LYS 43 HB3 LYS 43 -2.616 20.094 6.078 359 HG2 LYS 43 HG2 LYS 43 -0.859 18.650 6.840 360 HG3 LYS 43 HG3 LYS 43 -0.801 17.871 5.261 361 HD2 LYS 43 HD2 LYS 43 -0.117 19.944 4.246 362 HD3 LYS 43 HD3 LYS 43 -0.242 20.767 5.812 363 HE2 LYS 43 HE2 LYS 43 1.331 19.311 6.754 364 HE3 LYS 43 HE3 LYS 43 1.427 18.375 5.282 365 HZ1 LYS 43 HZ1 LYS 43 3.319 19.907 5.435 366 HZ2 LYS 43 HZ2 LYS 43 2.283 21.234 5.535 367 HZ3 LYS 43 HZ3 LYS 43 2.351 20.311 4.123 368 H ASN 44 H ASN 44 -4.791 18.241 3.950 369 HA ASN 44 HA ASN 44 -6.753 20.034 5.071 370 HB2 ASN 44 HB2 ASN 44 -6.502 18.821 2.330 371 HB3 ASN 44 HB3 ASN 44 -7.851 19.858 2.779 372 HD21 ASN 44 HD21 ASN 44 -4.419 19.717 2.091 373 HD22 ASN 44 HD22 ASN 44 -4.173 21.410 1.979 374 H ASN 45 H ASN 45 -6.846 16.671 3.998 375 HA ASN 45 HA ASN 45 -9.659 16.497 4.827 376 HB2 ASN 45 HB2 ASN 45 -7.888 14.518 3.446 377 HB3 ASN 45 HB3 ASN 45 -9.445 14.043 4.107 378 HD21 ASN 45 HD21 ASN 45 -7.761 15.687 1.591 379 HD22 ASN 45 HD22 ASN 45 -9.143 15.995 0.632 380 H ASN 46 H ASN 46 -6.586 15.798 6.182 381 HA ASN 46 HA ASN 46 -5.890 14.814 8.070 382 HB2 ASN 46 HB2 ASN 46 -7.806 16.061 9.154 383 HB3 ASN 46 HB3 ASN 46 -8.835 14.672 8.857 384 HD21 ASN 46 HD21 ASN 46 -9.280 14.301 11.003 385 HD22 ASN 46 HD22 ASN 46 -8.114 13.725 12.133 386 H ARG 47 H ARG 47 -7.109 13.303 5.656 387 HA ARG 47 HA ARG 47 -7.705 10.732 6.883 388 HB2 ARG 47 HB2 ARG 47 -8.528 10.033 4.719 389 HB3 ARG 47 HB3 ARG 47 -9.127 11.656 5.028 390 HG2 ARG 47 HG2 ARG 47 -7.449 12.585 3.644 391 HG3 ARG 47 HG3 ARG 47 -6.793 10.973 3.345 392 HD2 ARG 47 HD2 ARG 47 -8.915 10.278 2.324 393 HD3 ARG 47 HD3 ARG 47 -9.596 11.868 2.649 394 HE ARG 47 HE ARG 47 -7.235 12.023 1.060 395 HH11 ARG 47 HH11 ARG 47 -10.669 11.272 0.886 396 HH12 ARG 47 HH12 ARG 47 -10.847 11.770 -0.734 397 HH21 ARG 47 HH21 ARG 47 -7.484 12.738 -1.211 398 HH22 ARG 47 HH22 ARG 47 -9.011 12.597 -1.925 399 H GLN 48 H GLN 48 -6.415 8.894 6.548 400 HA GLN 48 HA GLN 48 -3.786 9.548 5.601 401 HB2 GLN 48 HB2 GLN 48 -4.204 8.669 7.900 402 HB3 GLN 48 HB3 GLN 48 -4.722 7.150 7.161 403 HG2 GLN 48 HG2 GLN 48 -2.556 7.047 6.047 404 HG3 GLN 48 HG3 GLN 48 -2.108 8.500 6.931 405 HE21 GLN 48 HE21 GLN 48 -0.412 7.468 7.987 406 HE22 GLN 48 HE22 GLN 48 -0.677 6.325 9.250 407 H VAL 49 H VAL 49 -3.242 8.833 3.725 408 HA VAL 49 HA VAL 49 -4.838 6.741 2.413 409 HB VAL 49 HB VAL 49 -4.285 7.983 0.272 410 HG11 VAL 49 HG11 VAL 49 -6.559 7.899 1.251 411 HG12 VAL 49 HG12 VAL 49 -6.260 9.473 0.532 412 HG13 VAL 49 HG13 VAL 49 -6.171 9.273 2.289 413 HG21 VAL 49 HG21 VAL 49 -2.634 9.513 1.137 414 HG22 VAL 49 HG22 VAL 49 -3.824 10.233 2.224 415 HG23 VAL 49 HG23 VAL 49 -3.997 10.418 0.476 416 H CYS 50 H CYS 50 -3.805 5.686 0.638 417 HA CYS 50 HA CYS 50 -0.960 5.356 1.088 418 HB2 CYS 50 HB2 CYS 50 -2.903 3.694 -0.531 419 HB3 CYS 50 HB3 CYS 50 -1.198 3.324 -0.275 420 H ILE 51 H ILE 51 0.489 5.971 -0.317 421 HA ILE 51 HA ILE 51 -0.376 7.425 -2.671 422 HB ILE 51 HB ILE 51 2.164 7.432 -1.059 423 HG12 ILE 51 HG12 ILE 51 0.104 9.565 -1.580 424 HG13 ILE 51 HG13 ILE 51 0.382 8.725 -0.054 425 HG21 ILE 51 HG21 ILE 51 2.810 7.628 -3.331 426 HG22 ILE 51 HG22 ILE 51 2.936 9.213 -2.530 427 HG23 ILE 51 HG23 ILE 51 1.556 8.846 -3.589 428 HD11 ILE 51 HD11 ILE 51 2.306 10.568 -1.454 429 HD12 ILE 51 HD12 ILE 51 2.616 9.723 0.063 430 HD13 ILE 51 HD13 ILE 51 1.350 10.949 -0.021 431 H ASP 52 H ASP 52 0.268 6.890 -4.654 432 HA ASP 52 HA ASP 52 1.320 4.314 -5.180 433 HB2 ASP 52 HB2 ASP 52 -0.352 5.283 -6.623 434 HB3 ASP 52 HB3 ASP 52 0.678 6.656 -6.972 435 HA PRO 53 HA PRO 53 5.584 5.689 -4.781 436 HB2 PRO 53 HB2 PRO 53 6.743 3.513 -5.971 437 HB3 PRO 53 HB3 PRO 53 6.173 3.541 -4.297 438 HG2 PRO 53 HG2 PRO 53 4.784 2.523 -6.747 439 HG3 PRO 53 HG3 PRO 53 4.937 1.753 -5.155 440 HD2 PRO 53 HD2 PRO 53 2.698 2.995 -5.824 441 HD3 PRO 53 HD3 PRO 53 3.373 3.176 -4.183 442 H LYS 54 H LYS 54 3.960 5.206 -7.724 443 HA LYS 54 HA LYS 54 6.235 5.801 -9.366 444 HB2 LYS 54 HB2 LYS 54 3.342 5.418 -10.058 445 HB3 LYS 54 HB3 LYS 54 4.610 5.712 -11.248 446 HG2 LYS 54 HG2 LYS 54 5.751 3.681 -10.578 447 HG3 LYS 54 HG3 LYS 54 4.549 3.397 -9.323 448 HD2 LYS 54 HD2 LYS 54 4.001 3.506 -12.277 449 HD3 LYS 54 HD3 LYS 54 4.195 2.017 -11.344 450 HE2 LYS 54 HE2 LYS 54 2.266 2.770 -9.920 451 HE3 LYS 54 HE3 LYS 54 2.050 4.119 -11.020 452 HZ1 LYS 54 HZ1 LYS 54 0.555 2.307 -11.518 453 HZ2 LYS 54 HZ2 LYS 54 1.841 1.252 -11.740 454 HZ3 LYS 54 HZ3 LYS 54 1.624 2.551 -12.806 455 H LEU 55 H LEU 55 4.134 7.709 -7.540 456 HA LEU 55 HA LEU 55 3.868 10.023 -9.150 457 HB2 LEU 55 HB2 LEU 55 4.194 9.642 -6.208 458 HB3 LEU 55 HB3 LEU 55 3.939 11.229 -6.860 459 HG LEU 55 HG LEU 55 1.991 8.881 -6.913 460 HD11 LEU 55 HD11 LEU 55 0.664 10.278 -5.462 461 HD12 LEU 55 HD12 LEU 55 1.806 11.597 -5.646 462 HD13 LEU 55 HD13 LEU 55 2.293 10.145 -4.777 463 HD21 LEU 55 HD21 LEU 55 1.840 10.218 -8.992 464 HD22 LEU 55 HD22 LEU 55 1.671 11.666 -7.982 465 HD23 LEU 55 HD23 LEU 55 0.427 10.424 -7.940 466 H LYS 56 H LYS 56 5.177 11.626 -9.749 467 HA LYS 56 HA LYS 56 7.913 10.990 -9.803 468 HB2 LYS 56 HB2 LYS 56 6.823 12.111 -11.673 469 HB3 LYS 56 HB3 LYS 56 6.498 13.513 -10.667 470 HG2 LYS 56 HG2 LYS 56 8.843 14.022 -10.540 471 HG3 LYS 56 HG3 LYS 56 9.249 12.525 -11.375 472 HD2 LYS 56 HD2 LYS 56 9.378 14.438 -12.891 473 HD3 LYS 56 HD3 LYS 56 8.113 13.324 -13.387 474 HE2 LYS 56 HE2 LYS 56 6.428 14.775 -12.362 475 HE3 LYS 56 HE3 LYS 56 7.694 15.880 -11.831 476 HZ1 LYS 56 HZ1 LYS 56 7.002 15.229 -14.645 477 HZ2 LYS 56 HZ2 LYS 56 8.227 16.281 -14.190 478 HZ3 LYS 56 HZ3 LYS 56 6.616 16.655 -13.841 479 H TRP 57 H TRP 57 6.070 13.210 -7.798 480 HA TRP 57 HA TRP 57 8.434 14.399 -6.701 481 HB2 TRP 57 HB2 TRP 57 7.030 15.479 -5.053 482 HB3 TRP 57 HB3 TRP 57 6.202 15.566 -6.586 483 HD1 TRP 57 HD1 TRP 57 3.850 14.143 -6.758 484 HE1 TRP 57 HE1 TRP 57 2.291 13.270 -4.868 485 HE3 TRP 57 HE3 TRP 57 7.041 14.413 -2.787 486 HZ2 TRP 57 HZ2 TRP 57 2.383 12.746 -2.232 487 HZ3 TRP 57 HZ3 TRP 57 6.248 13.703 -0.601 488 HH2 TRP 57 HH2 TRP 57 3.956 12.874 -0.287 489 H ILE 58 H ILE 58 6.676 11.554 -6.154 490 HA ILE 58 HA ILE 58 7.636 10.949 -3.569 491 HB ILE 58 HB ILE 58 6.221 9.414 -5.721 492 HG12 ILE 58 HG12 ILE 58 4.931 10.944 -4.349 493 HG13 ILE 58 HG13 ILE 58 4.432 9.273 -4.106 494 HG21 ILE 58 HG21 ILE 58 7.242 8.197 -3.187 495 HG22 ILE 58 HG22 ILE 58 7.660 7.754 -4.851 496 HG23 ILE 58 HG23 ILE 58 6.011 7.512 -4.273 497 HD11 ILE 58 HD11 ILE 58 4.490 10.471 -2.020 498 HD12 ILE 58 HD12 ILE 58 6.194 10.869 -2.254 499 HD13 ILE 58 HD13 ILE 58 5.693 9.185 -2.040 500 H GLN 59 H GLN 59 8.637 10.256 -6.848 501 HA GLN 59 HA GLN 59 10.716 8.519 -6.100 502 HB2 GLN 59 HB2 GLN 59 10.412 10.202 -8.588 503 HB3 GLN 59 HB3 GLN 59 11.656 8.974 -8.368 504 HG2 GLN 59 HG2 GLN 59 9.929 7.272 -8.081 505 HG3 GLN 59 HG3 GLN 59 8.686 8.495 -8.317 506 HE21 GLN 59 HE21 GLN 59 9.269 6.075 -9.790 507 HE22 GLN 59 HE22 GLN 59 9.523 6.536 -11.430 508 H GLU 60 H GLU 60 10.594 12.021 -6.490 509 HA GLU 60 HA GLU 60 13.312 12.527 -5.880 510 HB2 GLU 60 HB2 GLU 60 10.858 14.206 -5.336 511 HB3 GLU 60 HB3 GLU 60 12.498 14.771 -5.082 512 HG2 GLU 60 HG2 GLU 60 11.267 13.959 -7.699 513 HG3 GLU 60 HG3 GLU 60 11.620 15.603 -7.169 514 H TYR 61 H TYR 61 10.527 11.903 -3.931 515 HA TYR 61 HA TYR 61 11.706 12.433 -1.416 516 HB2 TYR 61 HB2 TYR 61 9.299 12.406 -1.600 517 HB3 TYR 61 HB3 TYR 61 9.324 10.776 -2.249 518 HD1 TYR 61 HD1 TYR 61 10.458 12.580 0.831 519 HD2 TYR 61 HD2 TYR 61 8.655 9.100 -0.825 520 HE1 TYR 61 HE1 TYR 61 10.098 11.685 3.096 521 HE2 TYR 61 HE2 TYR 61 8.297 8.190 1.408 522 HH TYR 61 HH TYR 61 9.265 8.475 3.709 523 H LEU 62 H LEU 62 11.285 9.484 -3.295 524 HA LEU 62 HA LEU 62 12.424 7.717 -1.418 525 HB2 LEU 62 HB2 LEU 62 12.109 7.482 -4.393 526 HB3 LEU 62 HB3 LEU 62 12.634 6.176 -3.352 527 HG LEU 62 HG LEU 62 9.960 7.557 -3.179 528 HD11 LEU 62 HD11 LEU 62 10.708 4.836 -4.246 529 HD12 LEU 62 HD12 LEU 62 10.186 6.228 -5.198 530 HD13 LEU 62 HD13 LEU 62 9.069 5.470 -4.064 531 HD21 LEU 62 HD21 LEU 62 9.439 5.698 -1.624 532 HD22 LEU 62 HD22 LEU 62 10.717 6.767 -1.046 533 HD23 LEU 62 HD23 LEU 62 11.133 5.200 -1.731 534 H GLU 63 H GLU 63 13.840 9.074 -4.366 535 HA GLU 63 HA GLU 63 16.351 7.845 -4.123 536 HB2 GLU 63 HB2 GLU 63 15.772 10.560 -5.273 537 HB3 GLU 63 HB3 GLU 63 17.251 9.644 -5.527 538 HG2 GLU 63 HG2 GLU 63 15.891 7.925 -6.656 539 HG3 GLU 63 HG3 GLU 63 14.478 8.973 -6.447 540 H LYS 64 H LYS 64 15.190 10.843 -2.729 541 HA LYS 64 HA LYS 64 17.807 11.359 -1.625 542 HB2 LYS 64 HB2 LYS 64 15.299 12.963 -1.653 543 HB3 LYS 64 HB3 LYS 64 16.722 13.452 -0.739 544 HG2 LYS 64 HG2 LYS 64 16.784 14.681 -2.816 545 HG3 LYS 64 HG3 LYS 64 18.010 13.414 -2.884 546 HD2 LYS 64 HD2 LYS 64 16.513 12.036 -4.250 547 HD3 LYS 64 HD3 LYS 64 15.282 13.300 -4.214 548 HE2 LYS 64 HE2 LYS 64 16.895 14.824 -5.339 549 HE3 LYS 64 HE3 LYS 64 18.042 13.496 -5.440 550 HZ1 LYS 64 HZ1 LYS 64 16.924 13.688 -7.523 551 HZ2 LYS 64 HZ2 LYS 64 15.433 13.777 -6.841 552 HZ3 LYS 64 HZ3 LYS 64 16.249 12.294 -6.853 553 H ALA 65 H ALA 65 15.291 9.577 -0.700 554 HA ALA 65 HA ALA 65 15.806 10.023 2.158 555 HB1 ALA 65 HB1 ALA 65 13.442 9.691 1.520 556 HB2 ALA 65 HB2 ALA 65 14.000 8.397 2.577 557 HB3 ALA 65 HB3 ALA 65 13.852 8.115 0.841 558 H LEU 66 H LEU 66 16.121 7.638 -0.368 559 HA LEU 66 HA LEU 66 17.408 5.753 1.352 560 HB2 LEU 66 HB2 LEU 66 16.803 5.763 -1.560 561 HB3 LEU 66 HB3 LEU 66 17.871 4.556 -0.873 562 HG LEU 66 HG LEU 66 15.700 3.689 -1.123 563 HD11 LEU 66 HD11 LEU 66 15.232 2.886 1.153 564 HD12 LEU 66 HD12 LEU 66 16.306 4.118 1.796 565 HD13 LEU 66 HD13 LEU 66 16.946 2.847 0.753 566 HD21 LEU 66 HD21 LEU 66 14.692 5.879 0.681 567 HD22 LEU 66 HD22 LEU 66 13.733 4.494 0.162 568 HD23 LEU 66 HD23 LEU 66 14.306 5.668 -1.025 569 H ASN 67 H ASN 67 18.502 7.787 -1.378 570 HA ASN 67 HA ASN 67 21.224 7.189 -0.525 571 HB2 ASN 67 HB2 ASN 67 20.251 8.553 -3.048 572 HB3 ASN 67 HB3 ASN 67 21.943 8.303 -2.643 573 HD21 ASN 67 HD21 ASN 67 22.819 6.227 -2.845 574 HD22 ASN 67 HD22 ASN 67 21.997 4.965 -3.647 575 H LYS 68 H LYS 68 21.082 8.389 1.338 576 HA LYS 68 HA LYS 68 21.855 11.104 1.016 577 HB2 LYS 68 HB2 LYS 68 19.277 11.171 1.019 578 HB3 LYS 68 HB3 LYS 68 19.386 10.480 2.630 579 HG2 LYS 68 HG2 LYS 68 20.626 13.128 1.960 580 HG3 LYS 68 HG3 LYS 68 18.948 12.968 2.459 581 HD2 LYS 68 HD2 LYS 68 21.307 11.980 3.996 582 HD3 LYS 68 HD3 LYS 68 20.517 13.543 4.331 583 HE2 LYS 68 HE2 LYS 68 18.412 12.194 4.731 584 HE3 LYS 68 HE3 LYS 68 19.394 10.744 4.594 585 HZ1 LYS 68 HZ1 LYS 68 19.755 12.881 6.605 586 HZ2 LYS 68 HZ2 LYS 68 20.701 11.487 6.480 587 HZ3 LYS 68 HZ3 LYS 68 19.074 11.366 6.874 Start of MODEL 10 1 H LYS 1 H LYS 1 -19.679 -8.643 5.248 2 HA LYS 1 HA LYS 1 -17.436 -9.250 5.932 3 HB2 LYS 1 HB2 LYS 1 -17.228 -11.325 4.593 4 HB3 LYS 1 HB3 LYS 1 -18.894 -11.028 5.060 5 HG2 LYS 1 HG2 LYS 1 -19.425 -10.239 2.844 6 HG3 LYS 1 HG3 LYS 1 -17.738 -10.363 2.355 7 HD2 LYS 1 HD2 LYS 1 -19.022 -12.236 1.501 8 HD3 LYS 1 HD3 LYS 1 -17.850 -12.801 2.682 9 HE2 LYS 1 HE2 LYS 1 -19.624 -12.907 4.378 10 HE3 LYS 1 HE3 LYS 1 -20.780 -12.315 3.182 11 HZ1 LYS 1 HZ1 LYS 1 -20.915 -14.714 3.388 12 HZ2 LYS 1 HZ2 LYS 1 -19.284 -14.880 3.006 13 HZ3 LYS 1 HZ3 LYS 1 -20.372 -14.301 1.864 14 HA PRO 2 HA PRO 2 -14.285 -7.499 3.368 15 HB2 PRO 2 HB2 PRO 2 -12.101 -8.463 4.651 16 HB3 PRO 2 HB3 PRO 2 -13.096 -7.170 5.332 17 HG2 PRO 2 HG2 PRO 2 -13.002 -10.058 6.041 18 HG3 PRO 2 HG3 PRO 2 -13.278 -8.656 7.085 19 HD2 PRO 2 HD2 PRO 2 -15.257 -10.351 6.099 20 HD3 PRO 2 HD3 PRO 2 -15.524 -8.716 6.734 21 H VAL 3 H VAL 3 -14.145 -8.367 1.389 22 HA VAL 3 HA VAL 3 -13.396 -11.168 1.139 23 HB VAL 3 HB VAL 3 -14.110 -11.036 -1.208 24 HG11 VAL 3 HG11 VAL 3 -16.508 -10.720 -0.838 25 HG12 VAL 3 HG12 VAL 3 -16.156 -9.947 0.704 26 HG13 VAL 3 HG13 VAL 3 -15.750 -11.646 0.459 27 HG21 VAL 3 HG21 VAL 3 -14.849 -8.169 -0.594 28 HG22 VAL 3 HG22 VAL 3 -15.244 -9.031 -2.080 29 HG23 VAL 3 HG23 VAL 3 -13.559 -8.695 -1.678 30 H SER 4 H SER 4 -11.666 -11.817 -0.073 31 HA SER 4 HA SER 4 -9.920 -9.846 -1.241 32 HB2 SER 4 HB2 SER 4 -9.021 -11.455 1.162 33 HB3 SER 4 HB3 SER 4 -7.962 -10.500 0.128 34 HG SER 4 HG SER 4 -10.067 -9.042 0.913 35 H LEU 5 H LEU 5 -10.161 -13.234 -0.135 36 HA LEU 5 HA LEU 5 -9.745 -15.208 -1.063 37 HB2 LEU 5 HB2 LEU 5 -11.061 -14.249 -3.013 38 HB3 LEU 5 HB3 LEU 5 -9.554 -13.747 -3.725 39 HG LEU 5 HG LEU 5 -10.353 -16.645 -3.277 40 HD11 LEU 5 HD11 LEU 5 -10.774 -16.696 -5.687 41 HD12 LEU 5 HD12 LEU 5 -10.470 -14.962 -5.771 42 HD13 LEU 5 HD13 LEU 5 -11.846 -15.571 -4.853 43 HD21 LEU 5 HD21 LEU 5 -7.914 -16.327 -3.440 44 HD22 LEU 5 HD22 LEU 5 -8.128 -15.445 -4.952 45 HD23 LEU 5 HD23 LEU 5 -8.546 -17.158 -4.861 46 H SER 6 H SER 6 -7.660 -12.949 -2.862 47 HA SER 6 HA SER 6 -5.379 -14.688 -2.439 48 HB2 SER 6 HB2 SER 6 -4.326 -13.097 -4.056 49 HB3 SER 6 HB3 SER 6 -5.758 -13.920 -4.681 50 HG SER 6 HG SER 6 -5.288 -11.293 -4.258 51 H TYR 7 H TYR 7 -6.789 -12.732 -0.487 52 HA TYR 7 HA TYR 7 -6.309 -11.354 1.245 53 HB2 TYR 7 HB2 TYR 7 -4.473 -12.895 1.811 54 HB3 TYR 7 HB3 TYR 7 -3.412 -12.083 0.668 55 HD1 TYR 7 HD1 TYR 7 -5.212 -11.690 3.875 56 HD2 TYR 7 HD2 TYR 7 -2.238 -10.093 1.287 57 HE1 TYR 7 HE1 TYR 7 -4.487 -10.157 5.645 58 HE2 TYR 7 HE2 TYR 7 -1.511 -8.562 3.060 59 HH TYR 7 HH TYR 7 -2.536 -7.515 5.067 60 H ARG 8 H ARG 8 -6.743 -9.270 1.041 61 HA ARG 8 HA ARG 8 -5.568 -7.867 -1.162 62 HB2 ARG 8 HB2 ARG 8 -7.968 -7.560 -0.701 63 HB3 ARG 8 HB3 ARG 8 -7.583 -6.891 0.877 64 HG2 ARG 8 HG2 ARG 8 -6.464 -5.014 -0.140 65 HG3 ARG 8 HG3 ARG 8 -6.702 -5.702 -1.737 66 HD2 ARG 8 HD2 ARG 8 -9.097 -5.502 -1.465 67 HD3 ARG 8 HD3 ARG 8 -8.871 -4.783 0.137 68 HE ARG 8 HE ARG 8 -7.506 -3.087 -1.113 69 HH11 ARG 8 HH11 ARG 8 -10.367 -4.671 -2.433 70 HH12 ARG 8 HH12 ARG 8 -10.706 -3.475 -3.591 71 HH21 ARG 8 HH21 ARG 8 -7.938 -1.398 -2.746 72 HH22 ARG 8 HH22 ARG 8 -9.274 -1.562 -3.767 73 H CYS 9 H CYS 9 -4.362 -6.036 -1.070 74 HA CYS 9 HA CYS 9 -2.354 -5.892 0.853 75 HB2 CYS 9 HB2 CYS 9 -3.125 -3.596 -0.979 76 HB3 CYS 9 HB3 CYS 9 -1.563 -4.076 -0.385 77 HA PRO 10 HA PRO 10 -3.993 -3.475 4.217 78 HB2 PRO 10 HB2 PRO 10 -1.685 -1.629 3.906 79 HB3 PRO 10 HB3 PRO 10 -2.229 -2.525 5.329 80 HG2 PRO 10 HG2 PRO 10 -0.086 -3.331 3.986 81 HG3 PRO 10 HG3 PRO 10 -1.245 -4.509 4.624 82 HD2 PRO 10 HD2 PRO 10 -0.871 -3.527 1.831 83 HD3 PRO 10 HD3 PRO 10 -1.240 -5.165 2.413 84 H CYS 11 H CYS 11 -2.984 -1.621 1.392 85 HA CYS 11 HA CYS 11 -4.780 0.519 2.236 86 HB2 CYS 11 HB2 CYS 11 -2.529 1.285 1.534 87 HB3 CYS 11 HB3 CYS 11 -2.771 0.567 -0.053 88 H ARG 12 H ARG 12 -6.343 1.384 0.829 89 HA ARG 12 HA ARG 12 -7.594 -0.662 -0.818 90 HB2 ARG 12 HB2 ARG 12 -8.660 1.923 0.326 91 HB3 ARG 12 HB3 ARG 12 -9.609 0.721 -0.541 92 HG2 ARG 12 HG2 ARG 12 -9.227 -0.909 1.141 93 HG3 ARG 12 HG3 ARG 12 -8.080 0.139 1.969 94 HD2 ARG 12 HD2 ARG 12 -9.877 1.697 2.460 95 HD3 ARG 12 HD3 ARG 12 -11.026 0.645 1.625 96 HE ARG 12 HE ARG 12 -9.959 -1.025 3.362 97 HH11 ARG 12 HH11 ARG 12 -11.193 2.255 3.889 98 HH12 ARG 12 HH12 ARG 12 -11.720 1.953 5.478 99 HH21 ARG 12 HH21 ARG 12 -10.695 -1.431 5.553 100 HH22 ARG 12 HH22 ARG 12 -11.440 -0.207 6.454 101 H PHE 13 H PHE 13 -7.266 2.902 -0.951 102 HA PHE 13 HA PHE 13 -6.552 2.671 -3.779 103 HB2 PHE 13 HB2 PHE 13 -8.593 4.588 -2.625 104 HB3 PHE 13 HB3 PHE 13 -7.885 4.752 -4.217 105 HD1 PHE 13 HD1 PHE 13 -8.470 3.186 -5.992 106 HD2 PHE 13 HD2 PHE 13 -10.307 2.997 -2.166 107 HE1 PHE 13 HE1 PHE 13 -10.273 1.808 -6.934 108 HE2 PHE 13 HE2 PHE 13 -12.118 1.605 -3.104 109 HZ PHE 13 HZ PHE 13 -12.097 1.014 -5.487 110 H PHE 14 H PHE 14 -5.207 4.269 -4.506 111 HA PHE 14 HA PHE 14 -3.810 5.825 -2.453 112 HB2 PHE 14 HB2 PHE 14 -3.184 5.672 -5.418 113 HB3 PHE 14 HB3 PHE 14 -2.122 6.206 -4.135 114 HD1 PHE 14 HD1 PHE 14 -2.178 3.988 -2.179 115 HD2 PHE 14 HD2 PHE 14 -2.247 3.872 -6.446 116 HE1 PHE 14 HE1 PHE 14 -1.167 1.781 -2.132 117 HE2 PHE 14 HE2 PHE 14 -1.233 1.628 -6.385 118 HZ PHE 14 HZ PHE 14 -0.693 0.587 -4.229 119 H GLU 15 H GLU 15 -3.767 8.220 -2.617 120 HA GLU 15 HA GLU 15 -6.140 9.228 -3.656 121 HB2 GLU 15 HB2 GLU 15 -4.998 10.284 -1.755 122 HB3 GLU 15 HB3 GLU 15 -3.642 10.699 -2.802 123 HG2 GLU 15 HG2 GLU 15 -5.101 12.015 -4.174 124 HG3 GLU 15 HG3 GLU 15 -6.440 11.587 -3.110 125 H SER 16 H SER 16 -2.871 8.975 -4.840 126 HA SER 16 HA SER 16 -1.832 9.342 -6.769 127 HB2 SER 16 HB2 SER 16 -3.107 8.719 -8.859 128 HB3 SER 16 HB3 SER 16 -3.212 7.543 -7.556 129 HG SER 16 HG SER 16 -5.214 9.245 -7.263 130 H HIS 17 H HIS 17 -3.015 11.663 -5.500 131 HA HIS 17 HA HIS 17 -2.515 13.705 -7.576 132 HB2 HIS 17 HB2 HIS 17 -5.063 12.998 -7.504 133 HB3 HIS 17 HB3 HIS 17 -5.045 13.823 -5.945 134 HD1 HIS 17 HD1 HIS 17 -4.354 16.384 -6.028 135 HD2 HIS 17 HD2 HIS 17 -5.134 14.636 -9.693 136 HE1 HIS 17 HE1 HIS 17 -4.513 18.241 -7.593 137 HE2 HIS 17 HE2 HIS 17 -4.695 17.155 -9.864 138 H VAL 18 H VAL 18 -1.118 12.631 -5.369 139 HA VAL 18 HA VAL 18 -1.617 14.479 -3.189 140 HB VAL 18 HB VAL 18 0.412 12.242 -3.350 141 HG11 VAL 18 HG11 VAL 18 0.393 12.362 -0.909 142 HG12 VAL 18 HG12 VAL 18 -0.737 13.713 -0.995 143 HG13 VAL 18 HG13 VAL 18 0.890 13.886 -1.639 144 HG21 VAL 18 HG21 VAL 18 -1.804 11.321 -3.659 145 HG22 VAL 18 HG22 VAL 18 -2.385 12.170 -2.232 146 HG23 VAL 18 HG23 VAL 18 -1.192 10.883 -2.062 147 H ALA 19 H ALA 19 -0.241 16.090 -2.698 148 HA ALA 19 HA ALA 19 2.161 16.434 -4.350 149 HB1 ALA 19 HB1 ALA 19 0.418 18.101 -4.817 150 HB2 ALA 19 HB2 ALA 19 1.824 18.855 -4.077 151 HB3 ALA 19 HB3 ALA 19 0.381 18.543 -3.111 152 H ARG 20 H ARG 20 4.041 17.197 -3.272 153 HA ARG 20 HA ARG 20 4.611 16.127 -0.770 154 HB2 ARG 20 HB2 ARG 20 6.337 16.709 -2.409 155 HB3 ARG 20 HB3 ARG 20 5.987 18.414 -2.189 156 HG2 ARG 20 HG2 ARG 20 8.002 17.845 -1.003 157 HG3 ARG 20 HG3 ARG 20 6.742 18.224 0.175 158 HD2 ARG 20 HD2 ARG 20 6.340 15.795 0.414 159 HD3 ARG 20 HD3 ARG 20 7.684 15.504 -0.682 160 HE ARG 20 HE ARG 20 8.071 16.985 1.826 161 HH11 ARG 20 HH11 ARG 20 9.056 14.288 -0.301 162 HH12 ARG 20 HH12 ARG 20 10.265 13.749 0.765 163 HH21 ARG 20 HH21 ARG 20 9.800 16.171 3.244 164 HH22 ARG 20 HH22 ARG 20 10.689 14.797 2.774 165 H ALA 21 H ALA 21 3.640 19.415 -1.594 166 HA ALA 21 HA ALA 21 4.164 20.594 0.918 167 HB1 ALA 21 HB1 ALA 21 2.257 21.450 -1.208 168 HB2 ALA 21 HB2 ALA 21 3.975 21.861 -1.153 169 HB3 ALA 21 HB3 ALA 21 2.879 22.462 0.105 170 H ASN 22 H ASN 22 1.543 18.690 -0.209 171 HA ASN 22 HA ASN 22 -0.206 19.635 1.922 172 HB2 ASN 22 HB2 ASN 22 -1.153 19.344 -0.370 173 HB3 ASN 22 HB3 ASN 22 -0.732 17.646 -0.306 174 HD21 ASN 22 HD21 ASN 22 -2.891 17.151 -0.690 175 HD22 ASN 22 HD22 ASN 22 -4.104 17.217 0.522 176 H VAL 23 H VAL 23 2.265 17.595 1.699 177 HA VAL 23 HA VAL 23 0.929 15.549 3.285 178 HB VAL 23 HB VAL 23 3.678 15.339 2.032 179 HG11 VAL 23 HG11 VAL 23 2.139 13.467 3.737 180 HG12 VAL 23 HG12 VAL 23 3.735 14.132 3.988 181 HG13 VAL 23 HG13 VAL 23 3.499 12.998 2.673 182 HG21 VAL 23 HG21 VAL 23 1.079 13.991 1.348 183 HG22 VAL 23 HG22 VAL 23 2.634 13.687 0.583 184 HG23 VAL 23 HG23 VAL 23 1.857 15.256 0.396 185 H LYS 24 H LYS 24 1.019 15.478 5.291 186 HA LYS 24 HA LYS 24 2.547 17.224 6.954 187 HB2 LYS 24 HB2 LYS 24 0.158 16.360 7.237 188 HB3 LYS 24 HB3 LYS 24 0.885 14.820 7.652 189 HG2 LYS 24 HG2 LYS 24 0.466 15.761 9.691 190 HG3 LYS 24 HG3 LYS 24 2.170 16.153 9.427 191 HD2 LYS 24 HD2 LYS 24 1.320 18.260 10.043 192 HD3 LYS 24 HD3 LYS 24 1.207 18.171 8.256 193 HE2 LYS 24 HE2 LYS 24 -0.892 19.065 9.230 194 HE3 LYS 24 HE3 LYS 24 -1.089 17.562 8.326 195 HZ1 LYS 24 HZ1 LYS 24 -0.940 17.771 11.285 196 HZ2 LYS 24 HZ2 LYS 24 -1.180 16.349 10.430 197 HZ3 LYS 24 HZ3 LYS 24 -2.337 17.551 10.398 198 H HIS 25 H HIS 25 2.355 13.800 6.175 199 HA HIS 25 HA HIS 25 4.900 13.129 7.425 200 HB2 HIS 25 HB2 HIS 25 3.444 13.005 9.328 201 HB3 HIS 25 HB3 HIS 25 2.186 12.255 8.381 202 HD1 HIS 25 HD1 HIS 25 5.148 11.488 10.413 203 HD2 HIS 25 HD2 HIS 25 2.591 9.540 7.810 204 HE1 HIS 25 HE1 HIS 25 5.478 9.035 10.888 205 HE2 HIS 25 HE2 HIS 25 3.552 7.999 9.673 206 H LEU 26 H LEU 26 5.727 11.179 6.525 207 HA LEU 26 HA LEU 26 3.905 9.726 4.771 208 HB2 LEU 26 HB2 LEU 26 6.848 10.181 4.259 209 HB3 LEU 26 HB3 LEU 26 5.794 9.193 3.267 210 HG LEU 26 HG LEU 26 4.522 11.435 2.967 211 HD11 LEU 26 HD11 LEU 26 7.269 12.440 3.699 212 HD12 LEU 26 HD12 LEU 26 5.761 12.756 4.560 213 HD13 LEU 26 HD13 LEU 26 6.001 13.401 2.935 214 HD21 LEU 26 HD21 LEU 26 7.133 10.847 1.586 215 HD22 LEU 26 HD22 LEU 26 5.889 11.946 0.990 216 HD23 LEU 26 HD23 LEU 26 5.540 10.227 1.151 217 H LYS 27 H LYS 27 4.023 7.555 4.849 218 HA LYS 27 HA LYS 27 6.006 6.272 6.560 219 HB2 LYS 27 HB2 LYS 27 3.828 6.523 7.861 220 HB3 LYS 27 HB3 LYS 27 3.028 5.713 6.552 221 HG2 LYS 27 HG2 LYS 27 3.427 4.180 8.423 222 HG3 LYS 27 HG3 LYS 27 4.231 3.654 6.944 223 HD2 LYS 27 HD2 LYS 27 5.779 3.330 8.741 224 HD3 LYS 27 HD3 LYS 27 6.318 4.726 7.809 225 HE2 LYS 27 HE2 LYS 27 6.543 5.210 10.172 226 HE3 LYS 27 HE3 LYS 27 5.270 6.213 9.486 227 HZ1 LYS 27 HZ1 LYS 27 4.874 3.726 11.065 228 HZ2 LYS 27 HZ2 LYS 27 3.624 4.642 10.416 229 HZ3 LYS 27 HZ3 LYS 27 4.586 5.285 11.615 230 H ILE 28 H ILE 28 7.000 4.815 5.251 231 HA ILE 28 HA ILE 28 5.628 4.005 2.806 232 HB ILE 28 HB ILE 28 8.467 3.312 3.618 233 HG12 ILE 28 HG12 ILE 28 7.406 5.674 2.099 234 HG13 ILE 28 HG13 ILE 28 8.292 5.713 3.626 235 HG21 ILE 28 HG21 ILE 28 7.230 2.094 1.669 236 HG22 ILE 28 HG22 ILE 28 8.793 2.897 1.293 237 HG23 ILE 28 HG23 ILE 28 7.331 3.733 0.942 238 HD11 ILE 28 HD11 ILE 28 10.220 4.662 2.323 239 HD12 ILE 28 HD12 ILE 28 9.779 6.343 1.889 240 HD13 ILE 28 HD13 ILE 28 9.199 5.023 0.903 241 H LEU 29 H LEU 29 4.555 2.096 2.695 242 HA LEU 29 HA LEU 29 5.398 -0.039 4.506 243 HB2 LEU 29 HB2 LEU 29 3.214 0.889 5.099 244 HB3 LEU 29 HB3 LEU 29 2.651 0.640 3.462 245 HG LEU 29 HG LEU 29 2.848 -1.782 3.774 246 HD11 LEU 29 HD11 LEU 29 3.174 -2.694 6.041 247 HD12 LEU 29 HD12 LEU 29 3.535 -1.072 6.630 248 HD13 LEU 29 HD13 LEU 29 4.604 -1.842 5.459 249 HD21 LEU 29 HD21 LEU 29 0.720 -0.697 4.169 250 HD22 LEU 29 HD22 LEU 29 1.183 -0.351 5.836 251 HD23 LEU 29 HD23 LEU 29 0.944 -2.016 5.319 252 H ASN 30 H ASN 30 6.365 -1.609 3.350 253 HA ASN 30 HA ASN 30 5.620 -1.872 0.533 254 HB2 ASN 30 HB2 ASN 30 7.983 -1.514 0.865 255 HB3 ASN 30 HB3 ASN 30 8.091 -2.823 2.023 256 HD21 ASN 30 HD21 ASN 30 9.659 -3.900 0.816 257 HD22 ASN 30 HD22 ASN 30 9.321 -4.704 -0.667 258 H THR 31 H THR 31 4.689 -3.666 -0.243 259 HA THR 31 HA THR 31 4.395 -5.900 1.615 260 HB THR 31 HB THR 31 2.340 -4.953 -0.349 261 HG1 THR 31 HG1 THR 31 2.826 -4.340 2.348 262 HG21 THR 31 HG21 THR 31 2.173 -6.936 1.929 263 HG22 THR 31 HG22 THR 31 2.182 -7.324 0.210 264 HG23 THR 31 HG23 THR 31 0.816 -6.454 0.909 265 HA PRO 32 HA PRO 32 6.761 -7.663 -1.818 266 HB2 PRO 32 HB2 PRO 32 5.960 -10.129 -0.347 267 HB3 PRO 32 HB3 PRO 32 7.558 -9.628 -0.909 268 HG2 PRO 32 HG2 PRO 32 6.925 -9.432 1.658 269 HG3 PRO 32 HG3 PRO 32 7.866 -8.159 0.861 270 HD2 PRO 32 HD2 PRO 32 4.956 -8.135 1.633 271 HD3 PRO 32 HD3 PRO 32 6.150 -6.825 1.654 272 H ASN 33 H ASN 33 3.590 -8.853 -0.836 273 HA ASN 33 HA ASN 33 3.296 -10.220 -3.393 274 HB2 ASN 33 HB2 ASN 33 1.466 -10.172 -0.988 275 HB3 ASN 33 HB3 ASN 33 1.122 -11.047 -2.475 276 HD21 ASN 33 HD21 ASN 33 3.033 -10.947 0.407 277 HD22 ASN 33 HD22 ASN 33 3.707 -12.520 0.262 278 H CYS 34 H CYS 34 3.093 -7.156 -2.694 279 HA CYS 34 HA CYS 34 0.779 -6.815 -4.441 280 HB2 CYS 34 HB2 CYS 34 1.453 -5.094 -2.069 281 HB3 CYS 34 HB3 CYS 34 0.231 -4.700 -3.256 282 H ALA 35 H ALA 35 3.107 -4.527 -2.978 283 HA ALA 35 HA ALA 35 4.643 -3.906 -5.175 284 HB1 ALA 35 HB1 ALA 35 3.539 -1.811 -5.891 285 HB2 ALA 35 HB2 ALA 35 2.163 -2.216 -4.864 286 HB3 ALA 35 HB3 ALA 35 2.533 -3.220 -6.272 287 H LEU 36 H LEU 36 5.214 -1.391 -4.849 288 HA LEU 36 HA LEU 36 5.805 -1.137 -2.023 289 HB2 LEU 36 HB2 LEU 36 7.336 -0.630 -4.139 290 HB3 LEU 36 HB3 LEU 36 6.498 0.909 -4.108 291 HG LEU 36 HG LEU 36 8.529 1.259 -2.980 292 HD11 LEU 36 HD11 LEU 36 6.532 0.777 -0.827 293 HD12 LEU 36 HD12 LEU 36 6.674 2.252 -1.793 294 HD13 LEU 36 HD13 LEU 36 7.978 1.767 -0.695 295 HD21 LEU 36 HD21 LEU 36 7.991 -1.258 -1.439 296 HD22 LEU 36 HD22 LEU 36 9.360 -0.172 -1.173 297 HD23 LEU 36 HD23 LEU 36 9.196 -1.041 -2.701 298 H GLN 37 H GLN 37 4.647 0.242 -0.793 299 HA GLN 37 HA GLN 37 2.676 1.932 -2.108 300 HB2 GLN 37 HB2 GLN 37 2.267 -0.051 0.087 301 HB3 GLN 37 HB3 GLN 37 1.099 1.214 -0.279 302 HG2 GLN 37 HG2 GLN 37 0.582 0.342 -2.380 303 HG3 GLN 37 HG3 GLN 37 2.068 -0.598 -2.455 304 HE21 GLN 37 HE21 GLN 37 1.874 -1.675 0.093 305 HE22 GLN 37 HE22 GLN 37 0.611 -2.832 0.096 306 H ILE 38 H ILE 38 2.610 3.990 -1.222 307 HA ILE 38 HA ILE 38 4.049 4.272 1.305 308 HB ILE 38 HB ILE 38 3.905 6.359 -0.912 309 HG12 ILE 38 HG12 ILE 38 6.021 4.371 -0.116 310 HG13 ILE 38 HG13 ILE 38 5.194 4.473 -1.649 311 HG21 ILE 38 HG21 ILE 38 5.654 7.498 0.420 312 HG22 ILE 38 HG22 ILE 38 5.545 6.216 1.624 313 HG23 ILE 38 HG23 ILE 38 4.173 7.299 1.370 314 HD11 ILE 38 HD11 ILE 38 6.336 6.668 -2.038 315 HD12 ILE 38 HD12 ILE 38 7.404 5.260 -1.901 316 HD13 ILE 38 HD13 ILE 38 7.254 6.330 -0.537 317 H VAL 39 H VAL 39 3.156 5.538 2.856 318 HA VAL 39 HA VAL 39 0.364 6.346 2.387 319 HB VAL 39 HB VAL 39 1.714 5.378 4.926 320 HG11 VAL 39 HG11 VAL 39 0.074 7.018 5.503 321 HG12 VAL 39 HG12 VAL 39 -0.517 5.424 5.949 322 HG13 VAL 39 HG13 VAL 39 -1.155 6.230 4.504 323 HG21 VAL 39 HG21 VAL 39 0.207 3.450 4.760 324 HG22 VAL 39 HG22 VAL 39 1.284 3.572 3.365 325 HG23 VAL 39 HG23 VAL 39 -0.403 4.070 3.225 326 H ALA 40 H ALA 40 -0.200 8.426 2.973 327 HA ALA 40 HA ALA 40 1.760 9.960 4.513 328 HB1 ALA 40 HB1 ALA 40 1.477 11.852 3.085 329 HB2 ALA 40 HB2 ALA 40 0.395 10.910 2.037 330 HB3 ALA 40 HB3 ALA 40 2.119 10.458 2.233 331 H ARG 41 H ARG 41 0.922 11.875 5.368 332 HA ARG 41 HA ARG 41 -1.959 11.766 5.919 333 HB2 ARG 41 HB2 ARG 41 -0.356 11.409 7.855 334 HB3 ARG 41 HB3 ARG 41 0.214 13.035 7.580 335 HG2 ARG 41 HG2 ARG 41 -1.361 12.886 9.391 336 HG3 ARG 41 HG3 ARG 41 -2.019 13.926 8.094 337 HD2 ARG 41 HD2 ARG 41 -3.291 12.018 7.380 338 HD3 ARG 41 HD3 ARG 41 -2.636 11.044 8.706 339 HE ARG 41 HE ARG 41 -4.121 13.520 9.225 340 HH11 ARG 41 HH11 ARG 41 -3.815 10.014 9.764 341 HH12 ARG 41 HH12 ARG 41 -5.195 9.913 10.741 342 HH21 ARG 41 HH21 ARG 41 -5.992 13.362 10.581 343 HH22 ARG 41 HH22 ARG 41 -6.467 11.879 11.245 344 H LEU 42 H LEU 42 -3.112 13.635 5.360 345 HA LEU 42 HA LEU 42 -1.585 15.604 3.856 346 HB2 LEU 42 HB2 LEU 42 -4.569 15.189 4.057 347 HB3 LEU 42 HB3 LEU 42 -3.769 16.335 3.004 348 HG LEU 42 HG LEU 42 -3.564 13.342 2.869 349 HD11 LEU 42 HD11 LEU 42 -5.678 14.172 2.094 350 HD12 LEU 42 HD12 LEU 42 -4.696 13.645 0.722 351 HD13 LEU 42 HD13 LEU 42 -4.861 15.363 1.087 352 HD21 LEU 42 HD21 LEU 42 -2.300 13.730 0.799 353 HD22 LEU 42 HD22 LEU 42 -1.460 14.337 2.233 354 HD23 LEU 42 HD23 LEU 42 -2.295 15.462 1.161 355 H LYS 43 H LYS 43 -1.439 17.716 4.246 356 HA LYS 43 HA LYS 43 -1.867 18.706 6.868 357 HB2 LYS 43 HB2 LYS 43 -0.976 20.021 4.340 358 HB3 LYS 43 HB3 LYS 43 -1.057 20.834 5.894 359 HG2 LYS 43 HG2 LYS 43 0.421 19.172 6.818 360 HG3 LYS 43 HG3 LYS 43 0.565 18.417 5.230 361 HD2 LYS 43 HD2 LYS 43 1.542 20.432 4.338 362 HD3 LYS 43 HD3 LYS 43 1.294 21.258 5.885 363 HE2 LYS 43 HE2 LYS 43 2.591 19.598 6.965 364 HE3 LYS 43 HE3 LYS 43 2.918 18.808 5.434 365 HZ1 LYS 43 HZ1 LYS 43 4.799 20.236 5.991 366 HZ2 LYS 43 HZ2 LYS 43 3.801 21.584 6.155 367 HZ3 LYS 43 HZ3 LYS 43 4.033 20.856 4.645 368 H ASN 44 H ASN 44 -3.262 19.314 3.649 369 HA ASN 44 HA ASN 44 -4.969 21.459 4.541 370 HB2 ASN 44 HB2 ASN 44 -3.922 21.465 2.295 371 HB3 ASN 44 HB3 ASN 44 -4.796 20.008 1.877 372 HD21 ASN 44 HD21 ASN 44 -4.722 22.624 0.604 373 HD22 ASN 44 HD22 ASN 44 -6.350 23.187 0.530 374 H ASN 45 H ASN 45 -5.318 18.136 3.587 375 HA ASN 45 HA ASN 45 -8.205 18.234 3.920 376 HB2 ASN 45 HB2 ASN 45 -6.397 15.933 3.210 377 HB3 ASN 45 HB3 ASN 45 -8.149 15.842 3.290 378 HD21 ASN 45 HD21 ASN 45 -8.270 15.242 1.182 379 HD22 ASN 45 HD22 ASN 45 -7.981 16.307 -0.140 380 H ASN 46 H ASN 46 -5.422 17.381 5.726 381 HA ASN 46 HA ASN 46 -5.054 16.657 7.812 382 HB2 ASN 46 HB2 ASN 46 -6.863 18.299 8.402 383 HB3 ASN 46 HB3 ASN 46 -8.047 17.012 8.249 384 HD21 ASN 46 HD21 ASN 46 -8.716 17.191 10.383 385 HD22 ASN 46 HD22 ASN 46 -7.741 16.694 11.710 386 H ARG 47 H ARG 47 -6.262 14.826 5.557 387 HA ARG 47 HA ARG 47 -7.084 12.582 7.262 388 HB2 ARG 47 HB2 ARG 47 -8.118 11.628 5.322 389 HB3 ARG 47 HB3 ARG 47 -8.631 13.310 5.488 390 HG2 ARG 47 HG2 ARG 47 -7.085 13.980 3.804 391 HG3 ARG 47 HG3 ARG 47 -6.500 12.319 3.657 392 HD2 ARG 47 HD2 ARG 47 -8.764 11.602 2.963 393 HD3 ARG 47 HD3 ARG 47 -9.303 13.276 3.049 394 HE ARG 47 HE ARG 47 -7.077 12.995 1.280 395 HH11 ARG 47 HH11 ARG 47 -10.583 12.451 1.451 396 HH12 ARG 47 HH12 ARG 47 -10.785 12.542 -0.244 397 HH21 ARG 47 HH21 ARG 47 -7.390 13.097 -1.029 398 HH22 ARG 47 HH22 ARG 47 -8.964 12.922 -1.659 399 H GLN 48 H GLN 48 -6.218 10.428 6.700 400 HA GLN 48 HA GLN 48 -3.530 10.665 5.856 401 HB2 GLN 48 HB2 GLN 48 -4.017 9.420 7.862 402 HB3 GLN 48 HB3 GLN 48 -5.118 8.365 6.985 403 HG2 GLN 48 HG2 GLN 48 -3.302 7.576 5.623 404 HG3 GLN 48 HG3 GLN 48 -2.220 8.675 6.493 405 HE21 GLN 48 HE21 GLN 48 -4.110 5.797 6.694 406 HE22 GLN 48 HE22 GLN 48 -3.386 5.175 8.138 407 H VAL 49 H VAL 49 -2.928 9.811 3.804 408 HA VAL 49 HA VAL 49 -4.896 8.254 2.286 409 HB VAL 49 HB VAL 49 -4.089 9.382 0.222 410 HG11 VAL 49 HG11 VAL 49 -6.246 9.997 1.199 411 HG12 VAL 49 HG12 VAL 49 -5.480 11.404 0.472 412 HG13 VAL 49 HG13 VAL 49 -5.448 11.195 2.225 413 HG21 VAL 49 HG21 VAL 49 -2.027 10.310 1.005 414 HG22 VAL 49 HG22 VAL 49 -2.883 11.364 2.136 415 HG23 VAL 49 HG23 VAL 49 -3.062 11.597 0.393 416 H CYS 50 H CYS 50 -3.931 7.153 0.469 417 HA CYS 50 HA CYS 50 -1.189 6.383 1.064 418 HB2 CYS 50 HB2 CYS 50 -3.183 5.109 -0.809 419 HB3 CYS 50 HB3 CYS 50 -1.556 4.528 -0.440 420 H ILE 51 H ILE 51 0.329 6.516 -0.536 421 HA ILE 51 HA ILE 51 -0.297 8.397 -2.673 422 HB ILE 51 HB ILE 51 2.298 7.771 -1.250 423 HG12 ILE 51 HG12 ILE 51 0.586 10.237 -1.229 424 HG13 ILE 51 HG13 ILE 51 0.804 9.120 0.128 425 HG21 ILE 51 HG21 ILE 51 2.613 8.323 -3.602 426 HG22 ILE 51 HG22 ILE 51 3.206 9.567 -2.472 427 HG23 ILE 51 HG23 ILE 51 1.661 9.800 -3.305 428 HD11 ILE 51 HD11 ILE 51 2.916 10.815 -1.170 429 HD12 ILE 51 HD12 ILE 51 3.178 9.729 0.197 430 HD13 ILE 51 HD13 ILE 51 2.136 11.147 0.371 431 H ASP 52 H ASP 52 0.324 7.820 -4.784 432 HA ASP 52 HA ASP 52 0.978 5.075 -5.178 433 HB2 ASP 52 HB2 ASP 52 0.749 5.588 -7.601 434 HB3 ASP 52 HB3 ASP 52 -0.630 6.202 -6.660 435 HA PRO 53 HA PRO 53 5.372 5.761 -5.236 436 HB2 PRO 53 HB2 PRO 53 6.157 3.475 -6.400 437 HB3 PRO 53 HB3 PRO 53 5.469 3.493 -4.771 438 HG2 PRO 53 HG2 PRO 53 4.095 2.919 -7.377 439 HG3 PRO 53 HG3 PRO 53 4.056 1.967 -5.880 440 HD2 PRO 53 HD2 PRO 53 2.068 3.635 -6.487 441 HD3 PRO 53 HD3 PRO 53 2.652 3.468 -4.814 442 H LYS 54 H LYS 54 3.456 5.900 -7.888 443 HA LYS 54 HA LYS 54 5.547 5.925 -9.878 444 HB2 LYS 54 HB2 LYS 54 2.586 6.332 -10.107 445 HB3 LYS 54 HB3 LYS 54 3.704 6.339 -11.468 446 HG2 LYS 54 HG2 LYS 54 4.358 4.071 -11.011 447 HG3 LYS 54 HG3 LYS 54 3.361 4.049 -9.558 448 HD2 LYS 54 HD2 LYS 54 2.263 2.899 -11.332 449 HD3 LYS 54 HD3 LYS 54 1.405 4.391 -10.908 450 HE2 LYS 54 HE2 LYS 54 2.317 5.505 -12.863 451 HE3 LYS 54 HE3 LYS 54 3.281 4.084 -13.264 452 HZ1 LYS 54 HZ1 LYS 54 0.306 4.178 -13.234 453 HZ2 LYS 54 HZ2 LYS 54 1.243 2.853 -13.632 454 HZ3 LYS 54 HZ3 LYS 54 1.267 4.208 -14.616 455 H LEU 55 H LEU 55 4.042 8.080 -7.765 456 HA LEU 55 HA LEU 55 3.994 10.461 -9.225 457 HB2 LEU 55 HB2 LEU 55 4.139 9.728 -6.380 458 HB3 LEU 55 HB3 LEU 55 4.200 11.436 -6.785 459 HG LEU 55 HG LEU 55 1.994 9.437 -7.375 460 HD11 LEU 55 HD11 LEU 55 0.683 10.657 -5.816 461 HD12 LEU 55 HD12 LEU 55 2.044 11.754 -5.457 462 HD13 LEU 55 HD13 LEU 55 2.147 10.011 -5.108 463 HD21 LEU 55 HD21 LEU 55 2.092 11.103 -9.146 464 HD22 LEU 55 HD22 LEU 55 2.045 12.393 -7.934 465 HD23 LEU 55 HD23 LEU 55 0.671 11.310 -8.128 466 H LYS 56 H LYS 56 5.314 11.948 -9.697 467 HA LYS 56 HA LYS 56 8.013 11.341 -10.105 468 HB2 LYS 56 HB2 LYS 56 6.710 12.806 -11.557 469 HB3 LYS 56 HB3 LYS 56 6.574 13.982 -10.262 470 HG2 LYS 56 HG2 LYS 56 8.990 14.347 -10.343 471 HG3 LYS 56 HG3 LYS 56 9.127 13.156 -11.639 472 HD2 LYS 56 HD2 LYS 56 7.663 14.513 -13.048 473 HD3 LYS 56 HD3 LYS 56 7.507 15.698 -11.751 474 HE2 LYS 56 HE2 LYS 56 9.908 16.117 -11.852 475 HE3 LYS 56 HE3 LYS 56 10.063 14.940 -13.152 476 HZ1 LYS 56 HZ1 LYS 56 8.646 16.326 -14.537 477 HZ2 LYS 56 HZ2 LYS 56 9.944 17.246 -13.966 478 HZ3 LYS 56 HZ3 LYS 56 8.426 17.407 -13.271 479 H TRP 57 H TRP 57 6.439 13.418 -7.692 480 HA TRP 57 HA TRP 57 8.940 14.305 -6.620 481 HB2 TRP 57 HB2 TRP 57 7.688 15.312 -4.794 482 HB3 TRP 57 HB3 TRP 57 6.881 15.671 -6.300 483 HD1 TRP 57 HD1 TRP 57 4.439 14.434 -6.662 484 HE1 TRP 57 HE1 TRP 57 2.758 13.554 -4.910 485 HE3 TRP 57 HE3 TRP 57 7.507 14.161 -2.644 486 HZ2 TRP 57 HZ2 TRP 57 2.742 12.832 -2.226 487 HZ3 TRP 57 HZ3 TRP 57 6.628 13.375 -0.525 488 HH2 TRP 57 HH2 TRP 57 4.266 12.709 -0.298 489 H ILE 58 H ILE 58 6.947 11.577 -6.159 490 HA ILE 58 HA ILE 58 7.935 10.749 -3.675 491 HB ILE 58 HB ILE 58 6.410 9.416 -5.885 492 HG12 ILE 58 HG12 ILE 58 5.255 10.956 -4.393 493 HG13 ILE 58 HG13 ILE 58 4.648 9.309 -4.237 494 HG21 ILE 58 HG21 ILE 58 7.368 8.006 -3.414 495 HG22 ILE 58 HG22 ILE 58 7.783 7.627 -5.098 496 HG23 ILE 58 HG23 ILE 58 6.120 7.434 -4.537 497 HD11 ILE 58 HD11 ILE 58 4.860 10.427 -2.087 498 HD12 ILE 58 HD12 ILE 58 6.587 10.632 -2.344 499 HD13 ILE 58 HD13 ILE 58 5.897 9.009 -2.203 500 H GLN 59 H GLN 59 8.882 10.230 -6.979 501 HA GLN 59 HA GLN 59 10.818 8.254 -6.571 502 HB2 GLN 59 HB2 GLN 59 10.845 10.506 -8.587 503 HB3 GLN 59 HB3 GLN 59 11.821 9.038 -8.674 504 HG2 GLN 59 HG2 GLN 59 9.786 7.690 -8.858 505 HG3 GLN 59 HG3 GLN 59 8.810 9.152 -8.761 506 HE21 GLN 59 HE21 GLN 59 7.874 8.749 -10.755 507 HE22 GLN 59 HE22 GLN 59 8.730 8.974 -12.234 508 H GLU 60 H GLU 60 10.955 11.751 -6.237 509 HA GLU 60 HA GLU 60 13.731 11.882 -5.566 510 HB2 GLU 60 HB2 GLU 60 11.499 13.841 -4.996 511 HB3 GLU 60 HB3 GLU 60 13.205 14.163 -4.744 512 HG2 GLU 60 HG2 GLU 60 11.834 13.633 -7.358 513 HG3 GLU 60 HG3 GLU 60 12.476 15.173 -6.793 514 H TYR 61 H TYR 61 10.736 11.651 -3.787 515 HA TYR 61 HA TYR 61 11.699 11.878 -1.195 516 HB2 TYR 61 HB2 TYR 61 9.320 11.911 -1.540 517 HB3 TYR 61 HB3 TYR 61 9.370 10.339 -2.329 518 HD1 TYR 61 HD1 TYR 61 10.106 11.925 0.956 519 HD2 TYR 61 HD2 TYR 61 8.818 8.473 -1.136 520 HE1 TYR 61 HE1 TYR 61 9.657 10.812 3.106 521 HE2 TYR 61 HE2 TYR 61 8.359 7.330 0.948 522 HH TYR 61 HH TYR 61 9.104 7.492 3.343 523 H LEU 62 H LEU 62 11.521 9.077 -3.310 524 HA LEU 62 HA LEU 62 12.434 7.130 -1.437 525 HB2 LEU 62 HB2 LEU 62 12.761 7.176 -4.431 526 HB3 LEU 62 HB3 LEU 62 12.909 5.768 -3.399 527 HG LEU 62 HG LEU 62 10.390 7.354 -3.846 528 HD11 LEU 62 HD11 LEU 62 11.167 4.622 -4.799 529 HD12 LEU 62 HD12 LEU 62 11.004 6.092 -5.780 530 HD13 LEU 62 HD13 LEU 62 9.584 5.396 -4.980 531 HD21 LEU 62 HD21 LEU 62 9.291 5.560 -2.612 532 HD22 LEU 62 HD22 LEU 62 10.450 6.456 -1.628 533 HD23 LEU 62 HD23 LEU 62 10.872 4.853 -2.242 534 H GLU 63 H GLU 63 14.119 9.118 -3.734 535 HA GLU 63 HA GLU 63 16.725 8.237 -3.170 536 HB2 GLU 63 HB2 GLU 63 15.801 11.018 -3.927 537 HB3 GLU 63 HB3 GLU 63 17.465 10.463 -3.992 538 HG2 GLU 63 HG2 GLU 63 15.175 9.370 -5.610 539 HG3 GLU 63 HG3 GLU 63 16.433 10.457 -6.195 540 H LYS 64 H LYS 64 14.738 10.706 -1.662 541 HA LYS 64 HA LYS 64 16.732 11.298 0.325 542 HB2 LYS 64 HB2 LYS 64 14.013 12.346 -0.247 543 HB3 LYS 64 HB3 LYS 64 14.884 12.825 1.200 544 HG2 LYS 64 HG2 LYS 64 15.868 13.209 -1.639 545 HG3 LYS 64 HG3 LYS 64 15.116 14.465 -0.651 546 HD2 LYS 64 HD2 LYS 64 17.704 13.017 0.030 547 HD3 LYS 64 HD3 LYS 64 17.577 14.641 -0.642 548 HE2 LYS 64 HE2 LYS 64 16.386 15.406 1.336 549 HE3 LYS 64 HE3 LYS 64 16.407 13.780 2.010 550 HZ1 LYS 64 HZ1 LYS 64 18.097 15.202 2.960 551 HZ2 LYS 64 HZ2 LYS 64 18.802 15.429 1.454 552 HZ3 LYS 64 HZ3 LYS 64 18.788 13.885 2.152 553 H ALA 65 H ALA 65 14.915 8.746 0.114 554 HA ALA 65 HA ALA 65 14.404 8.629 3.019 555 HB1 ALA 65 HB1 ALA 65 12.379 8.213 1.677 556 HB2 ALA 65 HB2 ALA 65 12.880 6.755 2.544 557 HB3 ALA 65 HB3 ALA 65 13.219 6.912 0.826 558 H LEU 66 H LEU 66 15.848 7.188 0.260 559 HA LEU 66 HA LEU 66 16.960 4.981 1.786 560 HB2 LEU 66 HB2 LEU 66 17.163 5.695 -1.126 561 HB3 LEU 66 HB3 LEU 66 17.771 4.196 -0.419 562 HG LEU 66 HG LEU 66 14.904 5.096 -0.671 563 HD11 LEU 66 HD11 LEU 66 14.668 3.186 -2.144 564 HD12 LEU 66 HD12 LEU 66 16.390 2.850 -1.982 565 HD13 LEU 66 HD13 LEU 66 15.853 4.347 -2.747 566 HD21 LEU 66 HD21 LEU 66 15.151 3.883 1.406 567 HD22 LEU 66 HD22 LEU 66 15.995 2.567 0.571 568 HD23 LEU 66 HD23 LEU 66 14.295 2.896 0.232 569 H ASN 67 H ASN 67 18.283 7.508 -0.403 570 HA ASN 67 HA ASN 67 20.923 7.254 0.734 571 HB2 ASN 67 HB2 ASN 67 20.566 8.033 -1.618 572 HB3 ASN 67 HB3 ASN 67 19.745 9.455 -1.001 573 HD21 ASN 67 HD21 ASN 67 22.810 7.885 -1.411 574 HD22 ASN 67 HD22 ASN 67 23.800 9.238 -1.044 575 H LYS 68 H LYS 68 18.183 9.405 0.934 576 HA LYS 68 HA LYS 68 17.436 10.888 2.351 577 HB2 LYS 68 HB2 LYS 68 17.287 8.616 3.371 578 HB3 LYS 68 HB3 LYS 68 18.677 9.040 4.347 579 HG2 LYS 68 HG2 LYS 68 17.455 10.791 5.397 580 HG3 LYS 68 HG3 LYS 68 16.087 10.535 4.305 581 HD2 LYS 68 HD2 LYS 68 15.984 8.186 5.158 582 HD3 LYS 68 HD3 LYS 68 17.157 8.664 6.390 583 HE2 LYS 68 HE2 LYS 68 15.667 10.437 7.081 584 HE3 LYS 68 HE3 LYS 68 14.533 9.886 5.833 585 HZ1 LYS 68 HZ1 LYS 68 13.939 8.992 8.058 586 HZ2 LYS 68 HZ2 LYS 68 15.435 8.233 8.140 587 HZ3 LYS 68 HZ3 LYS 68 14.333 7.755 6.980 Start of MODEL 11 1 H LYS 1 H LYS 1 -20.270 -9.270 6.459 2 HA LYS 1 HA LYS 1 -20.814 -11.071 4.200 3 HB2 LYS 1 HB2 LYS 1 -19.487 -8.333 4.257 4 HB3 LYS 1 HB3 LYS 1 -19.594 -9.388 2.867 5 HG2 LYS 1 HG2 LYS 1 -21.954 -8.139 4.267 6 HG3 LYS 1 HG3 LYS 1 -21.218 -7.555 2.773 7 HD2 LYS 1 HD2 LYS 1 -21.756 -9.674 1.684 8 HD3 LYS 1 HD3 LYS 1 -22.480 -10.268 3.172 9 HE2 LYS 1 HE2 LYS 1 -24.129 -8.435 3.074 10 HE3 LYS 1 HE3 LYS 1 -23.406 -7.894 1.559 11 HZ1 LYS 1 HZ1 LYS 1 -24.692 -10.527 2.021 12 HZ2 LYS 1 HZ2 LYS 1 -24.014 -10.021 0.562 13 HZ3 LYS 1 HZ3 LYS 1 -25.372 -9.243 1.181 14 HA PRO 2 HA PRO 2 -16.860 -12.709 5.382 15 HB2 PRO 2 HB2 PRO 2 -16.086 -13.759 2.983 16 HB3 PRO 2 HB3 PRO 2 -17.281 -14.537 4.022 17 HG2 PRO 2 HG2 PRO 2 -17.695 -12.827 1.607 18 HG3 PRO 2 HG3 PRO 2 -18.544 -14.306 2.086 19 HD2 PRO 2 HD2 PRO 2 -19.598 -11.837 2.451 20 HD3 PRO 2 HD3 PRO 2 -19.920 -13.187 3.555 21 H VAL 3 H VAL 3 -15.442 -11.054 5.789 22 HA VAL 3 HA VAL 3 -14.353 -9.683 3.440 23 HB VAL 3 HB VAL 3 -14.237 -8.748 6.314 24 HG11 VAL 3 HG11 VAL 3 -12.402 -7.921 4.954 25 HG12 VAL 3 HG12 VAL 3 -13.515 -6.614 5.349 26 HG13 VAL 3 HG13 VAL 3 -13.544 -7.338 3.743 27 HG21 VAL 3 HG21 VAL 3 -15.901 -7.063 5.682 28 HG22 VAL 3 HG22 VAL 3 -16.541 -8.699 5.510 29 HG23 VAL 3 HG23 VAL 3 -16.026 -7.797 4.083 30 H SER 4 H SER 4 -12.766 -10.889 2.861 31 HA SER 4 HA SER 4 -10.239 -10.853 4.023 32 HB2 SER 4 HB2 SER 4 -11.255 -12.425 5.706 33 HB3 SER 4 HB3 SER 4 -11.704 -13.513 4.402 34 HG SER 4 HG SER 4 -9.371 -13.466 3.896 35 H LEU 5 H LEU 5 -11.801 -10.569 1.566 36 HA LEU 5 HA LEU 5 -11.259 -12.896 -0.063 37 HB2 LEU 5 HB2 LEU 5 -12.406 -10.218 -0.838 38 HB3 LEU 5 HB3 LEU 5 -12.395 -11.658 -1.821 39 HG LEU 5 HG LEU 5 -13.948 -11.307 0.744 40 HD11 LEU 5 HD11 LEU 5 -14.815 -9.947 -1.075 41 HD12 LEU 5 HD12 LEU 5 -15.902 -11.285 -0.705 42 HD13 LEU 5 HD13 LEU 5 -14.858 -11.367 -2.124 43 HD21 LEU 5 HD21 LEU 5 -15.020 -13.418 0.122 44 HD22 LEU 5 HD22 LEU 5 -13.286 -13.620 0.376 45 HD23 LEU 5 HD23 LEU 5 -13.934 -13.558 -1.262 46 H SER 6 H SER 6 -10.554 -9.411 -0.321 47 HA SER 6 HA SER 6 -8.015 -10.133 -1.557 48 HB2 SER 6 HB2 SER 6 -9.899 -7.999 -2.539 49 HB3 SER 6 HB3 SER 6 -8.326 -8.404 -3.216 50 HG SER 6 HG SER 6 -9.187 -10.546 -3.559 51 H TYR 7 H TYR 7 -6.845 -9.567 0.246 52 HA TYR 7 HA TYR 7 -6.268 -6.777 0.334 53 HB2 TYR 7 HB2 TYR 7 -7.986 -6.980 2.140 54 HB3 TYR 7 HB3 TYR 7 -6.980 -8.188 2.931 55 HD1 TYR 7 HD1 TYR 7 -7.194 -4.620 1.972 56 HD2 TYR 7 HD2 TYR 7 -5.101 -7.513 4.292 57 HE1 TYR 7 HE1 TYR 7 -6.022 -2.810 3.164 58 HE2 TYR 7 HE2 TYR 7 -3.923 -5.703 5.483 59 HH TYR 7 HH TYR 7 -3.326 -3.369 5.155 60 H ARG 8 H ARG 8 -4.368 -7.123 -0.380 61 HA ARG 8 HA ARG 8 -2.552 -8.828 1.196 62 HB2 ARG 8 HB2 ARG 8 -3.087 -9.805 -1.018 63 HB3 ARG 8 HB3 ARG 8 -2.539 -8.331 -1.788 64 HG2 ARG 8 HG2 ARG 8 -0.281 -8.744 -0.867 65 HG3 ARG 8 HG3 ARG 8 -0.864 -10.287 -0.233 66 HD2 ARG 8 HD2 ARG 8 0.244 -10.638 -2.349 67 HD3 ARG 8 HD3 ARG 8 -1.487 -10.950 -2.517 68 HE ARG 8 HE ARG 8 -0.676 -8.275 -3.164 69 HH11 ARG 8 HH11 ARG 8 -1.243 -11.516 -4.439 70 HH12 ARG 8 HH12 ARG 8 -1.357 -11.051 -6.059 71 HH21 ARG 8 HH21 ARG 8 -0.828 -7.576 -5.414 72 HH22 ARG 8 HH22 ARG 8 -1.122 -8.749 -6.625 73 H CYS 9 H CYS 9 -2.896 -6.182 -1.091 74 HA CYS 9 HA CYS 9 -0.445 -4.946 -0.161 75 HB2 CYS 9 HB2 CYS 9 -2.283 -3.987 -2.351 76 HB3 CYS 9 HB3 CYS 9 -0.565 -3.724 -2.160 77 HA PRO 10 HA PRO 10 -2.725 -2.236 2.619 78 HB2 PRO 10 HB2 PRO 10 -0.945 -0.184 1.357 79 HB3 PRO 10 HB3 PRO 10 -1.327 -0.424 3.067 80 HG2 PRO 10 HG2 PRO 10 0.976 -1.309 2.174 81 HG3 PRO 10 HG3 PRO 10 -0.019 -2.352 3.220 82 HD2 PRO 10 HD2 PRO 10 0.384 -2.497 0.258 83 HD3 PRO 10 HD3 PRO 10 0.259 -3.805 1.452 84 H CYS 11 H CYS 11 -1.946 -0.472 -0.412 85 HA CYS 11 HA CYS 11 -4.796 0.146 -0.602 86 HB2 CYS 11 HB2 CYS 11 -2.522 2.082 -0.928 87 HB3 CYS 11 HB3 CYS 11 -4.172 2.414 -1.434 88 H ARG 12 H ARG 12 -5.520 -0.757 -2.372 89 HA ARG 12 HA ARG 12 -3.971 -0.976 -4.783 90 HB2 ARG 12 HB2 ARG 12 -6.932 -1.295 -4.263 91 HB3 ARG 12 HB3 ARG 12 -6.179 -1.577 -5.819 92 HG2 ARG 12 HG2 ARG 12 -4.879 -3.403 -4.860 93 HG3 ARG 12 HG3 ARG 12 -5.628 -3.111 -3.286 94 HD2 ARG 12 HD2 ARG 12 -7.803 -3.621 -4.170 95 HD3 ARG 12 HD3 ARG 12 -7.159 -3.753 -5.801 96 HE ARG 12 HE ARG 12 -5.871 -5.543 -4.048 97 HH11 ARG 12 HH11 ARG 12 -8.945 -5.089 -5.774 98 HH12 ARG 12 HH12 ARG 12 -9.228 -6.747 -5.988 99 HH21 ARG 12 HH21 ARG 12 -6.304 -7.860 -4.371 100 HH22 ARG 12 HH22 ARG 12 -7.728 -8.319 -5.197 101 H PHE 13 H PHE 13 -6.081 1.277 -3.293 102 HA PHE 13 HA PHE 13 -6.228 2.934 -5.706 103 HB2 PHE 13 HB2 PHE 13 -7.778 3.156 -3.125 104 HB3 PHE 13 HB3 PHE 13 -8.003 4.144 -4.552 105 HD1 PHE 13 HD1 PHE 13 -8.966 3.159 -6.606 106 HD2 PHE 13 HD2 PHE 13 -8.731 0.998 -2.956 107 HE1 PHE 13 HE1 PHE 13 -10.638 1.565 -7.443 108 HE2 PHE 13 HE2 PHE 13 -10.401 -0.603 -3.789 109 HZ PHE 13 HZ PHE 13 -11.352 -0.322 -6.022 110 H PHE 14 H PHE 14 -5.187 4.776 -5.742 111 HA PHE 14 HA PHE 14 -3.931 5.764 -3.267 112 HB2 PHE 14 HB2 PHE 14 -2.891 6.113 -6.082 113 HB3 PHE 14 HB3 PHE 14 -2.118 6.652 -4.605 114 HD1 PHE 14 HD1 PHE 14 -1.689 4.642 -2.880 115 HD2 PHE 14 HD2 PHE 14 -2.074 4.288 -7.090 116 HE1 PHE 14 HE1 PHE 14 -0.373 2.559 -2.825 117 HE2 PHE 14 HE2 PHE 14 -0.790 2.239 -7.067 118 HZ PHE 14 HZ PHE 14 0.078 1.340 -4.919 119 H GLU 15 H GLU 15 -4.031 8.025 -2.948 120 HA GLU 15 HA GLU 15 -6.168 9.397 -4.120 121 HB2 GLU 15 HB2 GLU 15 -4.903 9.666 -1.871 122 HB3 GLU 15 HB3 GLU 15 -3.741 10.594 -2.798 123 HG2 GLU 15 HG2 GLU 15 -6.642 11.220 -2.386 124 HG3 GLU 15 HG3 GLU 15 -5.247 11.986 -1.629 125 H SER 16 H SER 16 -2.658 9.584 -4.396 126 HA SER 16 HA SER 16 -1.170 9.962 -6.038 127 HB2 SER 16 HB2 SER 16 -3.440 9.754 -8.041 128 HB3 SER 16 HB3 SER 16 -1.704 9.505 -8.296 129 HG SER 16 HG SER 16 -2.352 7.511 -8.032 130 H HIS 17 H HIS 17 -3.480 12.280 -5.307 131 HA HIS 17 HA HIS 17 -2.267 14.158 -7.198 132 HB2 HIS 17 HB2 HIS 17 -4.934 14.299 -5.777 133 HB3 HIS 17 HB3 HIS 17 -4.247 15.617 -6.716 134 HD1 HIS 17 HD1 HIS 17 -3.951 15.149 -9.317 135 HD2 HIS 17 HD2 HIS 17 -6.253 12.396 -7.227 136 HE1 HIS 17 HE1 HIS 17 -5.154 13.881 -11.043 137 HE2 HIS 17 HE2 HIS 17 -6.836 12.544 -9.723 138 H VAL 18 H VAL 18 -1.306 13.152 -4.610 139 HA VAL 18 HA VAL 18 -1.615 15.417 -2.807 140 HB VAL 18 HB VAL 18 -0.074 12.834 -2.336 141 HG11 VAL 18 HG11 VAL 18 -0.236 13.424 0.018 142 HG12 VAL 18 HG12 VAL 18 -1.013 14.943 -0.415 143 HG13 VAL 18 HG13 VAL 18 0.653 14.637 -0.909 144 HG21 VAL 18 HG21 VAL 18 -2.421 12.328 -2.732 145 HG22 VAL 18 HG22 VAL 18 -2.907 13.552 -1.578 146 HG23 VAL 18 HG23 VAL 18 -2.038 12.117 -1.025 147 H ALA 19 H ALA 19 -0.113 16.899 -2.581 148 HA ALA 19 HA ALA 19 2.451 16.548 -3.925 149 HB1 ALA 19 HB1 ALA 19 1.095 18.507 -4.541 150 HB2 ALA 19 HB2 ALA 19 2.619 18.978 -3.807 151 HB3 ALA 19 HB3 ALA 19 1.126 19.054 -2.865 152 H ARG 20 H ARG 20 4.387 17.265 -2.791 153 HA ARG 20 HA ARG 20 4.850 16.133 -0.364 154 HB2 ARG 20 HB2 ARG 20 6.530 16.658 -2.003 155 HB3 ARG 20 HB3 ARG 20 6.256 18.367 -1.800 156 HG2 ARG 20 HG2 ARG 20 8.340 17.584 -0.804 157 HG3 ARG 20 HG3 ARG 20 7.261 18.284 0.416 158 HD2 ARG 20 HD2 ARG 20 7.290 15.398 -0.152 159 HD3 ARG 20 HD3 ARG 20 8.605 16.079 0.832 160 HE ARG 20 HE ARG 20 5.907 16.700 1.687 161 HH11 ARG 20 HH11 ARG 20 8.596 14.439 1.969 162 HH12 ARG 20 HH12 ARG 20 8.194 13.878 3.519 163 HH21 ARG 20 HH21 ARG 20 5.304 15.949 3.851 164 HH22 ARG 20 HH22 ARG 20 6.271 14.789 4.618 165 H ALA 21 H ALA 21 3.703 19.370 -1.025 166 HA ALA 21 HA ALA 21 4.225 20.391 1.610 167 HB1 ALA 21 HB1 ALA 21 2.462 21.438 -0.528 168 HB2 ALA 21 HB2 ALA 21 4.197 21.801 -0.380 169 HB3 ALA 21 HB3 ALA 21 3.055 22.337 0.878 170 H ASN 22 H ASN 22 1.700 18.521 0.239 171 HA ASN 22 HA ASN 22 -0.232 19.436 2.260 172 HB2 ASN 22 HB2 ASN 22 -1.014 19.481 -0.080 173 HB3 ASN 22 HB3 ASN 22 -0.632 17.779 -0.252 174 HD21 ASN 22 HD21 ASN 22 -2.725 17.355 -0.882 175 HD22 ASN 22 HD22 ASN 22 -4.061 17.296 0.205 176 H VAL 23 H VAL 23 2.085 17.303 2.048 177 HA VAL 23 HA VAL 23 0.534 15.243 3.410 178 HB VAL 23 HB VAL 23 1.544 14.181 1.582 179 HG11 VAL 23 HG11 VAL 23 3.925 14.230 1.087 180 HG12 VAL 23 HG12 VAL 23 4.180 15.354 2.425 181 HG13 VAL 23 HG13 VAL 23 3.208 15.833 1.032 182 HG21 VAL 23 HG21 VAL 23 1.673 12.953 3.693 183 HG22 VAL 23 HG22 VAL 23 3.287 13.584 3.951 184 HG23 VAL 23 HG23 VAL 23 2.979 12.499 2.588 185 H LYS 24 H LYS 24 0.583 15.032 5.437 186 HA LYS 24 HA LYS 24 2.460 16.385 7.215 187 HB2 LYS 24 HB2 LYS 24 0.384 14.299 7.966 188 HB3 LYS 24 HB3 LYS 24 1.152 15.494 8.992 189 HG2 LYS 24 HG2 LYS 24 0.026 17.192 8.017 190 HG3 LYS 24 HG3 LYS 24 -0.719 16.130 6.751 191 HD2 LYS 24 HD2 LYS 24 -2.378 16.585 8.433 192 HD3 LYS 24 HD3 LYS 24 -1.780 14.959 8.762 193 HE2 LYS 24 HE2 LYS 24 -0.266 15.863 10.440 194 HE3 LYS 24 HE3 LYS 24 -0.870 17.485 10.057 195 HZ1 LYS 24 HZ1 LYS 24 -1.914 16.619 12.034 196 HZ2 LYS 24 HZ2 LYS 24 -2.464 15.259 11.248 197 HZ3 LYS 24 HZ3 LYS 24 -3.072 16.789 10.833 198 H HIS 25 H HIS 25 1.265 13.164 6.937 199 HA HIS 25 HA HIS 25 3.648 12.003 8.166 200 HB2 HIS 25 HB2 HIS 25 1.535 11.673 9.296 201 HB3 HIS 25 HB3 HIS 25 0.808 11.082 7.821 202 HD1 HIS 25 HD1 HIS 25 2.813 9.978 10.722 203 HD2 HIS 25 HD2 HIS 25 1.639 8.475 7.037 204 HE1 HIS 25 HE1 HIS 25 3.221 7.509 10.858 205 HE2 HIS 25 HE2 HIS 25 2.045 6.642 8.842 206 H LEU 26 H LEU 26 4.861 10.593 6.971 207 HA LEU 26 HA LEU 26 3.739 9.613 4.484 208 HB2 LEU 26 HB2 LEU 26 5.068 11.685 4.087 209 HB3 LEU 26 HB3 LEU 26 6.454 10.901 4.803 210 HG LEU 26 HG LEU 26 6.552 9.319 2.930 211 HD11 LEU 26 HD11 LEU 26 5.104 9.629 1.006 212 HD12 LEU 26 HD12 LEU 26 4.207 10.887 1.852 213 HD13 LEU 26 HD13 LEU 26 4.140 9.217 2.429 214 HD21 LEU 26 HD21 LEU 26 7.723 11.457 2.778 215 HD22 LEU 26 HD22 LEU 26 6.276 12.177 2.062 216 HD23 LEU 26 HD23 LEU 26 7.144 10.913 1.199 217 H LYS 27 H LYS 27 3.781 7.495 4.726 218 HA LYS 27 HA LYS 27 5.991 6.198 6.166 219 HB2 LYS 27 HB2 LYS 27 3.773 6.215 7.411 220 HB3 LYS 27 HB3 LYS 27 3.080 5.422 6.041 221 HG2 LYS 27 HG2 LYS 27 3.570 3.879 7.895 222 HG3 LYS 27 HG3 LYS 27 4.355 3.437 6.380 223 HD2 LYS 27 HD2 LYS 27 5.890 3.178 8.277 224 HD3 LYS 27 HD3 LYS 27 6.411 4.425 7.137 225 HE2 LYS 27 HE2 LYS 27 5.549 6.163 8.612 226 HE3 LYS 27 HE3 LYS 27 4.976 4.940 9.742 227 HZ1 LYS 27 HZ1 LYS 27 7.809 5.434 9.003 228 HZ2 LYS 27 HZ2 LYS 27 7.264 4.264 10.087 229 HZ3 LYS 27 HZ3 LYS 27 7.068 5.894 10.449 230 H ILE 28 H ILE 28 6.993 4.632 4.924 231 HA ILE 28 HA ILE 28 5.717 4.085 2.339 232 HB ILE 28 HB ILE 28 8.574 3.448 3.108 233 HG12 ILE 28 HG12 ILE 28 7.390 5.856 1.788 234 HG13 ILE 28 HG13 ILE 28 8.279 5.825 3.315 235 HG21 ILE 28 HG21 ILE 28 7.299 2.410 1.002 236 HG22 ILE 28 HG22 ILE 28 8.919 3.172 0.784 237 HG23 ILE 28 HG23 ILE 28 7.531 4.117 0.470 238 HD11 ILE 28 HD11 ILE 28 10.210 4.906 1.887 239 HD12 ILE 28 HD12 ILE 28 9.748 6.633 1.668 240 HD13 ILE 28 HD13 ILE 28 9.125 5.422 0.562 241 H LEU 29 H LEU 29 4.679 2.173 2.121 242 HA LEU 29 HA LEU 29 5.586 0.008 3.850 243 HB2 LEU 29 HB2 LEU 29 2.930 0.383 2.473 244 HB3 LEU 29 HB3 LEU 29 3.363 -0.979 3.482 245 HG LEU 29 HG LEU 29 3.054 1.881 4.388 246 HD11 LEU 29 HD11 LEU 29 0.947 0.802 3.919 247 HD12 LEU 29 HD12 LEU 29 1.157 1.021 5.655 248 HD13 LEU 29 HD13 LEU 29 1.401 -0.569 4.929 249 HD21 LEU 29 HD21 LEU 29 3.394 1.011 6.648 250 HD22 LEU 29 HD22 LEU 29 4.823 0.773 5.652 251 HD23 LEU 29 HD23 LEU 29 3.747 -0.586 5.989 252 H ASN 30 H ASN 30 6.788 -1.379 2.909 253 HA ASN 30 HA ASN 30 6.527 -1.821 0.040 254 HB2 ASN 30 HB2 ASN 30 8.816 -2.850 0.215 255 HB3 ASN 30 HB3 ASN 30 8.766 -1.150 0.645 256 HD21 ASN 30 HD21 ASN 30 9.211 -4.342 1.769 257 HD22 ASN 30 HD22 ASN 30 9.820 -3.940 3.341 258 H THR 31 H THR 31 6.254 -3.819 -0.783 259 HA THR 31 HA THR 31 5.723 -5.951 1.101 260 HB THR 31 HB THR 31 3.545 -6.398 -0.236 261 HG1 THR 31 HG1 THR 31 4.366 -3.998 -1.184 262 HG21 THR 31 HG21 THR 31 3.705 -4.042 1.636 263 HG22 THR 31 HG22 THR 31 3.665 -5.735 2.122 264 HG23 THR 31 HG23 THR 31 2.256 -5.010 1.328 265 HA PRO 32 HA PRO 32 8.092 -7.935 -2.177 266 HB2 PRO 32 HB2 PRO 32 7.452 -10.315 -0.532 267 HB3 PRO 32 HB3 PRO 32 9.025 -9.728 -1.081 268 HG2 PRO 32 HG2 PRO 32 8.297 -9.465 1.465 269 HG3 PRO 32 HG3 PRO 32 9.192 -8.176 0.638 270 HD2 PRO 32 HD2 PRO 32 6.276 -8.334 1.296 271 HD3 PRO 32 HD3 PRO 32 7.356 -6.939 1.379 272 H ASN 33 H ASN 33 4.956 -8.900 -0.986 273 HA ASN 33 HA ASN 33 4.543 -10.645 -3.279 274 HB2 ASN 33 HB2 ASN 33 2.648 -10.020 -0.989 275 HB3 ASN 33 HB3 ASN 33 2.355 -11.184 -2.267 276 HD21 ASN 33 HD21 ASN 33 4.094 -10.532 0.646 277 HD22 ASN 33 HD22 ASN 33 4.693 -12.122 0.906 278 H CYS 34 H CYS 34 4.375 -7.411 -2.797 279 HA CYS 34 HA CYS 34 2.291 -7.179 -4.832 280 HB2 CYS 34 HB2 CYS 34 2.605 -5.349 -2.458 281 HB3 CYS 34 HB3 CYS 34 1.547 -5.034 -3.817 282 H ALA 35 H ALA 35 4.117 -4.605 -3.232 283 HA ALA 35 HA ALA 35 6.065 -3.966 -5.047 284 HB1 ALA 35 HB1 ALA 35 4.924 -2.177 -6.353 285 HB2 ALA 35 HB2 ALA 35 3.392 -2.665 -5.629 286 HB3 ALA 35 HB3 ALA 35 4.239 -3.764 -6.716 287 H LEU 36 H LEU 36 5.744 -1.155 -4.988 288 HA LEU 36 HA LEU 36 5.719 -0.685 -2.144 289 HB2 LEU 36 HB2 LEU 36 6.750 0.875 -4.443 290 HB3 LEU 36 HB3 LEU 36 6.276 1.740 -3.002 291 HG LEU 36 HG LEU 36 8.626 1.358 -3.028 292 HD11 LEU 36 HD11 LEU 36 7.304 -0.310 -0.931 293 HD12 LEU 36 HD12 LEU 36 7.555 1.441 -0.894 294 HD13 LEU 36 HD13 LEU 36 8.930 0.339 -0.855 295 HD21 LEU 36 HD21 LEU 36 7.925 -1.537 -3.096 296 HD22 LEU 36 HD22 LEU 36 9.559 -0.933 -2.780 297 HD23 LEU 36 HD23 LEU 36 8.786 -0.652 -4.358 298 H GLN 37 H GLN 37 4.480 0.469 -1.120 299 HA GLN 37 HA GLN 37 2.412 2.093 -2.386 300 HB2 GLN 37 HB2 GLN 37 1.734 0.061 -0.213 301 HB3 GLN 37 HB3 GLN 37 0.668 1.344 -0.717 302 HG2 GLN 37 HG2 GLN 37 -0.164 -0.590 -1.753 303 HG3 GLN 37 HG3 GLN 37 0.687 0.267 -3.028 304 HE21 GLN 37 HE21 GLN 37 2.251 -1.600 -0.542 305 HE22 GLN 37 HE22 GLN 37 2.802 -2.873 -1.552 306 H ILE 38 H ILE 38 2.799 4.033 -1.619 307 HA ILE 38 HA ILE 38 4.012 4.215 1.013 308 HB ILE 38 HB ILE 38 3.752 6.355 -1.143 309 HG12 ILE 38 HG12 ILE 38 5.975 4.486 -0.381 310 HG13 ILE 38 HG13 ILE 38 5.137 4.540 -1.913 311 HG21 ILE 38 HG21 ILE 38 5.444 7.537 0.194 312 HG22 ILE 38 HG22 ILE 38 5.406 6.233 1.382 313 HG23 ILE 38 HG23 ILE 38 3.985 7.251 1.151 314 HD11 ILE 38 HD11 ILE 38 6.126 6.808 -2.301 315 HD12 ILE 38 HD12 ILE 38 7.310 5.500 -2.168 316 HD13 ILE 38 HD13 ILE 38 7.062 6.566 -0.809 317 H VAL 39 H VAL 39 3.061 5.483 2.598 318 HA VAL 39 HA VAL 39 0.195 6.080 2.176 319 HB VAL 39 HB VAL 39 1.595 5.230 4.729 320 HG11 VAL 39 HG11 VAL 39 -0.207 6.750 5.242 321 HG12 VAL 39 HG12 VAL 39 -0.645 5.115 5.724 322 HG13 VAL 39 HG13 VAL 39 -1.334 5.813 4.252 323 HG21 VAL 39 HG21 VAL 39 0.259 3.189 4.547 324 HG22 VAL 39 HG22 VAL 39 1.341 3.397 3.169 325 HG23 VAL 39 HG23 VAL 39 -0.379 3.752 2.997 326 H ALA 40 H ALA 40 -0.519 8.098 2.682 327 HA ALA 40 HA ALA 40 1.291 9.867 4.150 328 HB1 ALA 40 HB1 ALA 40 0.879 11.598 2.545 329 HB2 ALA 40 HB2 ALA 40 -0.020 10.447 1.552 330 HB3 ALA 40 HB3 ALA 40 1.726 10.205 1.851 331 H ARG 41 H ARG 41 0.256 11.527 5.206 332 HA ARG 41 HA ARG 41 -2.635 11.419 5.041 333 HB2 ARG 41 HB2 ARG 41 -1.826 10.666 7.195 334 HB3 ARG 41 HB3 ARG 41 -0.956 12.181 7.399 335 HG2 ARG 41 HG2 ARG 41 -2.943 13.413 7.592 336 HG3 ARG 41 HG3 ARG 41 -3.927 12.038 7.074 337 HD2 ARG 41 HD2 ARG 41 -3.298 10.808 8.890 338 HD3 ARG 41 HD3 ARG 41 -2.161 12.059 9.447 339 HE ARG 41 HE ARG 41 -4.753 13.153 9.230 340 HH11 ARG 41 HH11 ARG 41 -3.018 10.881 11.340 341 HH12 ARG 41 HH12 ARG 41 -3.960 11.223 12.709 342 HH21 ARG 41 HH21 ARG 41 -5.973 13.676 11.093 343 HH22 ARG 41 HH22 ARG 41 -5.717 12.885 12.570 344 H LEU 42 H LEU 42 -3.754 13.166 4.726 345 HA LEU 42 HA LEU 42 -2.357 15.321 3.406 346 HB2 LEU 42 HB2 LEU 42 -5.300 14.853 3.854 347 HB3 LEU 42 HB3 LEU 42 -4.626 16.056 2.773 348 HG LEU 42 HG LEU 42 -4.413 13.067 2.504 349 HD11 LEU 42 HD11 LEU 42 -6.582 13.930 1.896 350 HD12 LEU 42 HD12 LEU 42 -5.691 13.428 0.455 351 HD13 LEU 42 HD13 LEU 42 -5.822 15.143 0.871 352 HD21 LEU 42 HD21 LEU 42 -3.301 13.514 0.411 353 HD22 LEU 42 HD22 LEU 42 -2.375 14.113 1.787 354 HD23 LEU 42 HD23 LEU 42 -3.295 15.247 0.785 355 H LYS 43 H LYS 43 -2.213 17.392 3.981 356 HA LYS 43 HA LYS 43 -2.712 18.059 6.781 357 HB2 LYS 43 HB2 LYS 43 -1.613 19.852 4.594 358 HB3 LYS 43 HB3 LYS 43 -1.608 20.190 6.318 359 HG2 LYS 43 HG2 LYS 43 -0.172 18.283 6.663 360 HG3 LYS 43 HG3 LYS 43 -0.053 18.013 4.914 361 HD2 LYS 43 HD2 LYS 43 1.898 19.211 5.574 362 HD3 LYS 43 HD3 LYS 43 0.843 20.404 4.819 363 HE2 LYS 43 HE2 LYS 43 0.062 21.107 7.048 364 HE3 LYS 43 HE3 LYS 43 1.141 19.917 7.778 365 HZ1 LYS 43 HZ1 LYS 43 3.012 21.105 6.778 366 HZ2 LYS 43 HZ2 LYS 43 2.134 22.106 7.821 367 HZ3 LYS 43 HZ3 LYS 43 1.961 22.254 6.146 368 H ASN 44 H ASN 44 -3.806 18.980 3.604 369 HA ASN 44 HA ASN 44 -5.526 21.071 4.469 370 HB2 ASN 44 HB2 ASN 44 -4.590 20.906 2.173 371 HB3 ASN 44 HB3 ASN 44 -5.579 19.482 1.897 372 HD21 ASN 44 HD21 ASN 44 -5.536 22.903 2.183 373 HD22 ASN 44 HD22 ASN 44 -7.144 23.194 1.640 374 H ASN 45 H ASN 45 -5.980 17.709 3.598 375 HA ASN 45 HA ASN 45 -8.850 17.877 4.141 376 HB2 ASN 45 HB2 ASN 45 -7.231 15.489 3.248 377 HB3 ASN 45 HB3 ASN 45 -8.980 15.554 3.363 378 HD21 ASN 45 HD21 ASN 45 -9.285 15.054 1.225 379 HD22 ASN 45 HD22 ASN 45 -8.888 16.121 -0.063 380 H ASN 46 H ASN 46 -5.955 16.847 5.699 381 HA ASN 46 HA ASN 46 -5.453 15.969 7.710 382 HB2 ASN 46 HB2 ASN 46 -7.262 17.443 8.646 383 HB3 ASN 46 HB3 ASN 46 -8.423 16.160 8.361 384 HD21 ASN 46 HD21 ASN 46 -9.002 15.942 10.503 385 HD22 ASN 46 HD22 ASN 46 -7.945 15.326 11.721 386 H ARG 47 H ARG 47 -6.996 14.354 5.395 387 HA ARG 47 HA ARG 47 -7.582 12.006 7.002 388 HB2 ARG 47 HB2 ARG 47 -8.704 11.082 5.119 389 HB3 ARG 47 HB3 ARG 47 -9.226 12.748 5.363 390 HG2 ARG 47 HG2 ARG 47 -7.870 13.491 3.591 391 HG3 ARG 47 HG3 ARG 47 -7.189 11.869 3.391 392 HD2 ARG 47 HD2 ARG 47 -9.459 11.020 2.901 393 HD3 ARG 47 HD3 ARG 47 -10.067 12.675 2.973 394 HE ARG 47 HE ARG 47 -8.141 12.852 1.123 395 HH11 ARG 47 HH11 ARG 47 -10.892 10.640 1.494 396 HH12 ARG 47 HH12 ARG 47 -10.971 10.265 -0.158 397 HH21 ARG 47 HH21 ARG 47 -8.288 12.334 -1.174 398 HH22 ARG 47 HH22 ARG 47 -9.472 11.228 -1.680 399 H GLN 48 H GLN 48 -6.806 9.925 6.449 400 HA GLN 48 HA GLN 48 -4.057 9.977 5.646 401 HB2 GLN 48 HB2 GLN 48 -4.939 8.860 7.679 402 HB3 GLN 48 HB3 GLN 48 -5.847 7.767 6.638 403 HG2 GLN 48 HG2 GLN 48 -3.618 7.205 5.612 404 HG3 GLN 48 HG3 GLN 48 -2.929 8.078 6.962 405 HE21 GLN 48 HE21 GLN 48 -1.935 6.214 7.805 406 HE22 GLN 48 HE22 GLN 48 -2.855 5.012 8.633 407 H VAL 49 H VAL 49 -3.424 9.151 3.692 408 HA VAL 49 HA VAL 49 -5.261 7.547 2.090 409 HB VAL 49 HB VAL 49 -4.561 8.831 0.055 410 HG11 VAL 49 HG11 VAL 49 -6.801 9.176 1.018 411 HG12 VAL 49 HG12 VAL 49 -6.177 10.677 0.345 412 HG13 VAL 49 HG13 VAL 49 -6.152 10.416 2.093 413 HG21 VAL 49 HG21 VAL 49 -2.631 9.974 0.924 414 HG22 VAL 49 HG22 VAL 49 -3.633 10.881 2.058 415 HG23 VAL 49 HG23 VAL 49 -3.792 11.153 0.320 416 H CYS 50 H CYS 50 -4.039 6.854 0.053 417 HA CYS 50 HA CYS 50 -1.286 6.370 0.798 418 HB2 CYS 50 HB2 CYS 50 -3.144 4.615 -0.804 419 HB3 CYS 50 HB3 CYS 50 -1.399 4.374 -0.750 420 H ILE 51 H ILE 51 0.278 6.564 -0.611 421 HA ILE 51 HA ILE 51 -0.166 8.518 -2.711 422 HB ILE 51 HB ILE 51 2.217 7.623 -1.121 423 HG12 ILE 51 HG12 ILE 51 0.741 9.193 0.027 424 HG13 ILE 51 HG13 ILE 51 2.312 9.907 -0.352 425 HG21 ILE 51 HG21 ILE 51 2.981 8.004 -3.351 426 HG22 ILE 51 HG22 ILE 51 3.514 9.303 -2.259 427 HG23 ILE 51 HG23 ILE 51 2.128 9.561 -3.334 428 HD11 ILE 51 HD11 ILE 51 1.353 11.025 -2.214 429 HD12 ILE 51 HD12 ILE 51 0.590 11.455 -0.682 430 HD13 ILE 51 HD13 ILE 51 -0.243 10.366 -1.816 431 H ASP 52 H ASP 52 0.198 8.032 -4.780 432 HA ASP 52 HA ASP 52 0.802 5.411 -5.623 433 HB2 ASP 52 HB2 ASP 52 -0.596 6.784 -6.943 434 HB3 ASP 52 HB3 ASP 52 0.644 8.037 -7.135 435 HA PRO 53 HA PRO 53 5.195 5.902 -4.978 436 HB2 PRO 53 HB2 PRO 53 6.060 3.692 -6.279 437 HB3 PRO 53 HB3 PRO 53 5.242 3.621 -4.712 438 HG2 PRO 53 HG2 PRO 53 4.090 3.255 -7.456 439 HG3 PRO 53 HG3 PRO 53 3.874 2.227 -6.032 440 HD2 PRO 53 HD2 PRO 53 2.017 3.999 -6.736 441 HD3 PRO 53 HD3 PRO 53 2.409 3.732 -5.022 442 H LYS 54 H LYS 54 3.722 6.199 -8.097 443 HA LYS 54 HA LYS 54 6.258 6.595 -9.331 444 HB2 LYS 54 HB2 LYS 54 4.633 5.101 -10.363 445 HB3 LYS 54 HB3 LYS 54 3.449 6.392 -10.378 446 HG2 LYS 54 HG2 LYS 54 4.657 7.595 -11.898 447 HG3 LYS 54 HG3 LYS 54 6.050 6.493 -11.795 448 HD2 LYS 54 HD2 LYS 54 4.746 6.019 -13.855 449 HD3 LYS 54 HD3 LYS 54 4.653 4.674 -12.727 450 HE2 LYS 54 HE2 LYS 54 2.472 5.498 -11.949 451 HE3 LYS 54 HE3 LYS 54 2.558 6.811 -13.127 452 HZ1 LYS 54 HZ1 LYS 54 1.212 4.993 -13.935 453 HZ2 LYS 54 HZ2 LYS 54 2.474 3.908 -13.714 454 HZ3 LYS 54 HZ3 LYS 54 2.605 5.117 -14.884 455 H LEU 55 H LEU 55 4.268 8.418 -7.467 456 HA LEU 55 HA LEU 55 4.007 10.895 -8.829 457 HB2 LEU 55 HB2 LEU 55 4.499 10.249 -5.969 458 HB3 LEU 55 HB3 LEU 55 4.277 11.894 -6.460 459 HG LEU 55 HG LEU 55 2.289 9.616 -6.469 460 HD11 LEU 55 HD11 LEU 55 1.050 10.990 -4.982 461 HD12 LEU 55 HD12 LEU 55 2.126 12.360 -5.254 462 HD13 LEU 55 HD13 LEU 55 2.715 10.933 -4.401 463 HD21 LEU 55 HD21 LEU 55 1.995 10.834 -8.571 464 HD22 LEU 55 HD22 LEU 55 1.943 12.351 -7.650 465 HD23 LEU 55 HD23 LEU 55 0.672 11.152 -7.445 466 H LYS 56 H LYS 56 5.231 12.550 -9.228 467 HA LYS 56 HA LYS 56 7.919 12.069 -9.800 468 HB2 LYS 56 HB2 LYS 56 6.576 13.673 -11.026 469 HB3 LYS 56 HB3 LYS 56 6.451 14.692 -9.599 470 HG2 LYS 56 HG2 LYS 56 8.857 15.071 -9.665 471 HG3 LYS 56 HG3 LYS 56 8.983 14.038 -11.086 472 HD2 LYS 56 HD2 LYS 56 7.483 15.546 -12.296 473 HD3 LYS 56 HD3 LYS 56 7.396 16.586 -10.875 474 HE2 LYS 56 HE2 LYS 56 9.817 16.930 -11.002 475 HE3 LYS 56 HE3 LYS 56 9.876 15.919 -12.446 476 HZ1 LYS 56 HZ1 LYS 56 8.417 17.507 -13.549 477 HZ2 LYS 56 HZ2 LYS 56 9.845 18.253 -13.001 478 HZ3 LYS 56 HZ3 LYS 56 8.413 18.485 -12.169 479 H TRP 57 H TRP 57 6.465 13.976 -7.178 480 HA TRP 57 HA TRP 57 8.998 14.733 -6.121 481 HB2 TRP 57 HB2 TRP 57 7.807 15.556 -4.172 482 HB3 TRP 57 HB3 TRP 57 6.947 16.033 -5.623 483 HD1 TRP 57 HD1 TRP 57 4.536 14.771 -6.046 484 HE1 TRP 57 HE1 TRP 57 2.921 13.701 -4.303 485 HE3 TRP 57 HE3 TRP 57 7.711 14.212 -2.106 486 HZ2 TRP 57 HZ2 TRP 57 2.966 12.763 -1.789 487 HZ3 TRP 57 HZ3 TRP 57 6.886 13.217 -0.079 488 HH2 TRP 57 HH2 TRP 57 4.486 12.472 0.108 489 H ILE 58 H ILE 58 7.044 11.954 -5.843 490 HA ILE 58 HA ILE 58 8.171 10.930 -3.500 491 HB ILE 58 HB ILE 58 6.498 9.814 -5.706 492 HG12 ILE 58 HG12 ILE 58 5.431 11.122 -3.967 493 HG13 ILE 58 HG13 ILE 58 4.881 9.451 -3.939 494 HG21 ILE 58 HG21 ILE 58 7.646 8.091 -3.535 495 HG22 ILE 58 HG22 ILE 58 7.943 7.984 -5.286 496 HG23 ILE 58 HG23 ILE 58 6.325 7.682 -4.641 497 HD11 ILE 58 HD11 ILE 58 5.220 10.291 -1.691 498 HD12 ILE 58 HD12 ILE 58 6.897 10.673 -2.044 499 HD13 ILE 58 HD13 ILE 58 6.357 8.993 -2.054 500 H GLN 59 H GLN 59 8.881 10.703 -6.927 501 HA GLN 59 HA GLN 59 10.902 8.734 -6.829 502 HB2 GLN 59 HB2 GLN 59 10.696 11.111 -8.677 503 HB3 GLN 59 HB3 GLN 59 11.666 9.667 -8.950 504 HG2 GLN 59 HG2 GLN 59 9.653 8.315 -9.103 505 HG3 GLN 59 HG3 GLN 59 8.652 9.723 -8.765 506 HE21 GLN 59 HE21 GLN 59 8.637 7.931 -11.026 507 HE22 GLN 59 HE22 GLN 59 8.879 8.908 -12.430 508 H GLU 60 H GLU 60 10.904 12.198 -6.362 509 HA GLU 60 HA GLU 60 13.710 12.542 -6.029 510 HB2 GLU 60 HB2 GLU 60 11.440 14.222 -4.935 511 HB3 GLU 60 HB3 GLU 60 13.110 14.723 -5.132 512 HG2 GLU 60 HG2 GLU 60 12.882 14.549 -7.557 513 HG3 GLU 60 HG3 GLU 60 11.211 14.021 -7.359 514 H TYR 61 H TYR 61 10.992 11.985 -3.927 515 HA TYR 61 HA TYR 61 12.244 12.158 -1.442 516 HB2 TYR 61 HB2 TYR 61 9.877 12.309 -1.509 517 HB3 TYR 61 HB3 TYR 61 9.757 10.799 -2.401 518 HD1 TYR 61 HD1 TYR 61 11.141 11.941 0.881 519 HD2 TYR 61 HD2 TYR 61 8.891 9.019 -1.244 520 HE1 TYR 61 HE1 TYR 61 10.754 10.721 2.973 521 HE2 TYR 61 HE2 TYR 61 8.504 7.779 0.800 522 HH TYR 61 HH TYR 61 9.174 9.163 3.872 523 H LEU 62 H LEU 62 11.693 9.347 -3.530 524 HA LEU 62 HA LEU 62 12.465 7.379 -1.693 525 HB2 LEU 62 HB2 LEU 62 12.710 7.322 -4.687 526 HB3 LEU 62 HB3 LEU 62 12.867 5.928 -3.637 527 HG LEU 62 HG LEU 62 10.385 7.588 -4.023 528 HD11 LEU 62 HD11 LEU 62 11.047 4.786 -4.869 529 HD12 LEU 62 HD12 LEU 62 10.919 6.209 -5.908 530 HD13 LEU 62 HD13 LEU 62 9.488 5.600 -5.063 531 HD21 LEU 62 HD21 LEU 62 9.292 5.889 -2.647 532 HD22 LEU 62 HD22 LEU 62 10.528 6.780 -1.759 533 HD23 LEU 62 HD23 LEU 62 10.864 5.142 -2.331 534 H GLU 63 H GLU 63 14.398 9.021 -4.076 535 HA GLU 63 HA GLU 63 16.812 7.633 -3.362 536 HB2 GLU 63 HB2 GLU 63 18.011 9.230 -4.746 537 HB3 GLU 63 HB3 GLU 63 16.582 8.651 -5.585 538 HG2 GLU 63 HG2 GLU 63 15.426 10.683 -5.182 539 HG3 GLU 63 HG3 GLU 63 16.685 11.239 -4.081 540 H LYS 64 H LYS 64 15.153 9.935 -1.666 541 HA LYS 64 HA LYS 64 17.619 10.786 -0.339 542 HB2 LYS 64 HB2 LYS 64 16.242 12.601 -1.136 543 HB3 LYS 64 HB3 LYS 64 14.876 11.991 -0.208 544 HG2 LYS 64 HG2 LYS 64 15.873 12.515 1.839 545 HG3 LYS 64 HG3 LYS 64 17.469 12.692 1.101 546 HD2 LYS 64 HD2 LYS 64 16.588 14.864 1.606 547 HD3 LYS 64 HD3 LYS 64 16.688 14.524 -0.133 548 HE2 LYS 64 HE2 LYS 64 14.294 14.124 -0.252 549 HE3 LYS 64 HE3 LYS 64 14.142 14.341 1.493 550 HZ1 LYS 64 HZ1 LYS 64 14.830 16.652 1.211 551 HZ2 LYS 64 HZ2 LYS 64 13.477 16.350 0.254 552 HZ3 LYS 64 HZ3 LYS 64 14.988 16.432 -0.441 553 H ALA 65 H ALA 65 14.454 9.359 0.192 554 HA ALA 65 HA ALA 65 14.679 9.093 2.994 555 HB1 ALA 65 HB1 ALA 65 12.541 9.015 1.807 556 HB2 ALA 65 HB2 ALA 65 12.776 7.584 2.811 557 HB3 ALA 65 HB3 ALA 65 13.012 7.487 1.066 558 H LEU 66 H LEU 66 15.347 6.831 0.341 559 HA LEU 66 HA LEU 66 16.171 4.822 2.211 560 HB2 LEU 66 HB2 LEU 66 16.223 4.915 -0.793 561 HB3 LEU 66 HB3 LEU 66 16.920 3.577 0.090 562 HG LEU 66 HG LEU 66 14.642 3.128 1.058 563 HD11 LEU 66 HD11 LEU 66 13.705 5.154 -0.960 564 HD12 LEU 66 HD12 LEU 66 13.621 5.304 0.797 565 HD13 LEU 66 HD13 LEU 66 12.673 4.068 -0.031 566 HD21 LEU 66 HD21 LEU 66 14.860 3.053 -1.940 567 HD22 LEU 66 HD22 LEU 66 13.743 2.096 -0.968 568 HD23 LEU 66 HD23 LEU 66 15.484 1.844 -0.818 569 H ASN 67 H ASN 67 17.742 7.200 0.248 570 HA ASN 67 HA ASN 67 20.394 6.182 0.557 571 HB2 ASN 67 HB2 ASN 67 19.752 7.708 -1.256 572 HB3 ASN 67 HB3 ASN 67 19.462 8.979 -0.084 573 HD21 ASN 67 HD21 ASN 67 22.202 6.698 -0.077 574 HD22 ASN 67 HD22 ASN 67 23.384 7.914 -0.369 575 H LYS 68 H LYS 68 18.553 8.750 2.254 576 HA LYS 68 HA LYS 68 20.706 8.910 4.242 577 HB2 LYS 68 HB2 LYS 68 20.252 10.976 2.999 578 HB3 LYS 68 HB3 LYS 68 18.576 10.932 3.521 579 HG2 LYS 68 HG2 LYS 68 19.373 11.109 5.874 580 HG3 LYS 68 HG3 LYS 68 21.012 11.316 5.262 581 HD2 LYS 68 HD2 LYS 68 18.656 13.080 4.646 582 HD3 LYS 68 HD3 LYS 68 19.948 13.462 5.787 583 HE2 LYS 68 HE2 LYS 68 21.567 13.438 3.936 584 HE3 LYS 68 HE3 LYS 68 20.275 13.022 2.813 585 HZ1 LYS 68 HZ1 LYS 68 19.218 15.166 3.316 586 HZ2 LYS 68 HZ2 LYS 68 20.783 15.369 2.732 587 HZ3 LYS 68 HZ3 LYS 68 20.498 15.551 4.362 Start of MODEL 12 1 H LYS 1 H LYS 1 -21.040 -14.776 -1.803 2 HA LYS 1 HA LYS 1 -22.490 -12.223 -1.901 3 HB2 LYS 1 HB2 LYS 1 -23.087 -13.648 0.025 4 HB3 LYS 1 HB3 LYS 1 -21.379 -13.829 0.399 5 HG2 LYS 1 HG2 LYS 1 -21.210 -11.487 0.947 6 HG3 LYS 1 HG3 LYS 1 -22.875 -11.226 0.437 7 HD2 LYS 1 HD2 LYS 1 -22.741 -11.377 2.876 8 HD3 LYS 1 HD3 LYS 1 -23.665 -12.710 2.189 9 HE2 LYS 1 HE2 LYS 1 -21.706 -14.181 2.434 10 HE3 LYS 1 HE3 LYS 1 -20.796 -12.840 3.125 11 HZ1 LYS 1 HZ1 LYS 1 -22.401 -12.771 4.954 12 HZ2 LYS 1 HZ2 LYS 1 -21.689 -14.286 4.847 13 HZ3 LYS 1 HZ3 LYS 1 -23.249 -14.050 4.263 14 HA PRO 2 HA PRO 2 -18.279 -11.031 -2.802 15 HB2 PRO 2 HB2 PRO 2 -19.300 -8.292 -2.897 16 HB3 PRO 2 HB3 PRO 2 -18.586 -9.258 -4.191 17 HG2 PRO 2 HG2 PRO 2 -21.215 -8.624 -4.123 18 HG3 PRO 2 HG3 PRO 2 -20.617 -10.134 -4.829 19 HD2 PRO 2 HD2 PRO 2 -21.881 -9.662 -2.156 20 HD3 PRO 2 HD3 PRO 2 -22.089 -11.003 -3.315 21 H VAL 3 H VAL 3 -17.589 -11.493 -0.736 22 HA VAL 3 HA VAL 3 -17.326 -9.150 1.001 23 HB VAL 3 HB VAL 3 -16.626 -10.757 2.810 24 HG11 VAL 3 HG11 VAL 3 -18.921 -9.921 2.717 25 HG12 VAL 3 HG12 VAL 3 -18.887 -11.590 3.289 26 HG13 VAL 3 HG13 VAL 3 -19.354 -11.238 1.626 27 HG21 VAL 3 HG21 VAL 3 -17.608 -12.859 0.878 28 HG22 VAL 3 HG22 VAL 3 -17.106 -13.134 2.548 29 HG23 VAL 3 HG23 VAL 3 -15.928 -12.600 1.349 30 H SER 4 H SER 4 -15.186 -8.844 1.991 31 HA SER 4 HA SER 4 -13.169 -9.521 0.026 32 HB2 SER 4 HB2 SER 4 -13.099 -7.495 2.270 33 HB3 SER 4 HB3 SER 4 -11.856 -7.712 1.037 34 HG SER 4 HG SER 4 -14.209 -6.389 0.924 35 H LEU 5 H LEU 5 -12.638 -11.607 0.573 36 HA LEU 5 HA LEU 5 -11.680 -12.082 3.290 37 HB2 LEU 5 HB2 LEU 5 -11.981 -14.001 0.981 38 HB3 LEU 5 HB3 LEU 5 -11.482 -14.438 2.604 39 HG LEU 5 HG LEU 5 -14.178 -13.399 1.772 40 HD11 LEU 5 HD11 LEU 5 -13.827 -15.705 1.146 41 HD12 LEU 5 HD12 LEU 5 -14.972 -15.598 2.482 42 HD13 LEU 5 HD13 LEU 5 -13.308 -16.091 2.789 43 HD21 LEU 5 HD21 LEU 5 -13.592 -12.544 3.981 44 HD22 LEU 5 HD22 LEU 5 -13.193 -14.178 4.518 45 HD23 LEU 5 HD23 LEU 5 -14.853 -13.770 4.083 46 H SER 6 H SER 6 -10.604 -11.500 0.111 47 HA SER 6 HA SER 6 -7.896 -12.188 0.825 48 HB2 SER 6 HB2 SER 6 -7.420 -11.592 -1.584 49 HB3 SER 6 HB3 SER 6 -8.564 -12.916 -1.384 50 HG SER 6 HG SER 6 -10.195 -11.632 -1.996 51 H TYR 7 H TYR 7 -6.882 -10.717 1.977 52 HA TYR 7 HA TYR 7 -7.568 -7.914 1.713 53 HB2 TYR 7 HB2 TYR 7 -7.261 -8.932 3.963 54 HB3 TYR 7 HB3 TYR 7 -5.598 -9.310 3.546 55 HD1 TYR 7 HD1 TYR 7 -7.953 -6.662 4.477 56 HD2 TYR 7 HD2 TYR 7 -3.907 -7.542 3.518 57 HE1 TYR 7 HE1 TYR 7 -7.266 -4.479 5.377 58 HE2 TYR 7 HE2 TYR 7 -3.212 -5.373 4.419 59 HH TYR 7 HH TYR 7 -4.237 -3.164 4.794 60 H ARG 8 H ARG 8 -6.667 -6.974 0.034 61 HA ARG 8 HA ARG 8 -4.079 -7.922 -0.850 62 HB2 ARG 8 HB2 ARG 8 -6.051 -6.122 -2.250 63 HB3 ARG 8 HB3 ARG 8 -4.512 -6.647 -2.916 64 HG2 ARG 8 HG2 ARG 8 -6.834 -8.430 -2.200 65 HG3 ARG 8 HG3 ARG 8 -6.352 -7.943 -3.824 66 HD2 ARG 8 HD2 ARG 8 -4.199 -9.079 -3.518 67 HD3 ARG 8 HD3 ARG 8 -4.691 -9.561 -1.894 68 HE ARG 8 HE ARG 8 -6.571 -10.382 -3.824 69 HH11 ARG 8 HH11 ARG 8 -3.402 -11.238 -2.483 70 HH12 ARG 8 HH12 ARG 8 -3.520 -12.885 -2.920 71 HH21 ARG 8 HH21 ARG 8 -6.702 -12.676 -4.396 72 HH22 ARG 8 HH22 ARG 8 -5.397 -13.693 -3.999 73 H CYS 9 H CYS 9 -2.755 -7.026 0.584 74 HA CYS 9 HA CYS 9 -1.132 -5.566 1.180 75 HB2 CYS 9 HB2 CYS 9 -2.144 -3.647 -0.949 76 HB3 CYS 9 HB3 CYS 9 -0.545 -3.823 -0.293 77 HA PRO 10 HA PRO 10 -2.535 -2.597 4.271 78 HB2 PRO 10 HB2 PRO 10 -0.689 -0.686 2.879 79 HB3 PRO 10 HB3 PRO 10 -0.885 -0.979 4.612 80 HG2 PRO 10 HG2 PRO 10 1.158 -2.047 3.344 81 HG3 PRO 10 HG3 PRO 10 0.251 -3.008 4.527 82 HD2 PRO 10 HD2 PRO 10 0.223 -3.147 1.552 83 HD3 PRO 10 HD3 PRO 10 0.040 -4.453 2.743 84 H CYS 11 H CYS 11 -2.114 -1.201 1.000 85 HA CYS 11 HA CYS 11 -4.791 -0.116 1.265 86 HB2 CYS 11 HB2 CYS 11 -2.388 1.379 0.209 87 HB3 CYS 11 HB3 CYS 11 -4.051 1.917 0.010 88 H ARG 12 H ARG 12 -6.031 -0.715 -0.301 89 HA ARG 12 HA ARG 12 -4.947 -2.244 -2.495 90 HB2 ARG 12 HB2 ARG 12 -6.983 -2.843 -1.192 91 HB3 ARG 12 HB3 ARG 12 -7.792 -1.460 -1.915 92 HG2 ARG 12 HG2 ARG 12 -7.544 -2.439 -4.113 93 HG3 ARG 12 HG3 ARG 12 -6.660 -3.805 -3.424 94 HD2 ARG 12 HD2 ARG 12 -9.506 -3.022 -2.882 95 HD3 ARG 12 HD3 ARG 12 -8.943 -4.428 -3.808 96 HE ARG 12 HE ARG 12 -8.253 -4.115 -0.969 97 HH11 ARG 12 HH11 ARG 12 -9.948 -6.002 -3.451 98 HH12 ARG 12 HH12 ARG 12 -10.194 -7.365 -2.470 99 HH21 ARG 12 HH21 ARG 12 -8.584 -5.931 0.378 100 HH22 ARG 12 HH22 ARG 12 -9.347 -7.350 -0.204 101 H PHE 13 H PHE 13 -5.927 0.982 -1.880 102 HA PHE 13 HA PHE 13 -5.637 1.599 -4.715 103 HB2 PHE 13 HB2 PHE 13 -7.627 2.875 -2.807 104 HB3 PHE 13 HB3 PHE 13 -7.316 3.399 -4.455 105 HD1 PHE 13 HD1 PHE 13 -7.933 1.898 -6.347 106 HD2 PHE 13 HD2 PHE 13 -9.091 1.081 -2.333 107 HE1 PHE 13 HE1 PHE 13 -9.652 0.345 -7.164 108 HE2 PHE 13 HE2 PHE 13 -10.812 -0.478 -3.145 109 HZ PHE 13 HZ PHE 13 -11.097 -0.846 -5.564 110 H PHE 14 H PHE 14 -4.807 3.737 -5.085 111 HA PHE 14 HA PHE 14 -3.325 4.853 -2.784 112 HB2 PHE 14 HB2 PHE 14 -2.528 4.901 -5.689 113 HB3 PHE 14 HB3 PHE 14 -1.626 5.585 -4.351 114 HD1 PHE 14 HD1 PHE 14 -0.871 3.883 -2.534 115 HD2 PHE 14 HD2 PHE 14 -2.039 2.857 -6.480 116 HE1 PHE 14 HE1 PHE 14 0.388 1.796 -2.357 117 HE2 PHE 14 HE2 PHE 14 -0.795 0.782 -6.336 118 HZ PHE 14 HZ PHE 14 0.438 0.218 -4.259 119 H GLU 15 H GLU 15 -3.346 7.099 -2.638 120 HA GLU 15 HA GLU 15 -5.055 8.291 -4.596 121 HB2 GLU 15 HB2 GLU 15 -4.447 9.347 -1.847 122 HB3 GLU 15 HB3 GLU 15 -5.270 10.285 -3.100 123 HG2 GLU 15 HG2 GLU 15 -6.916 8.610 -3.336 124 HG3 GLU 15 HG3 GLU 15 -6.076 7.674 -2.059 125 H SER 16 H SER 16 -3.926 8.601 -6.303 126 HA SER 16 HA SER 16 -1.343 9.773 -6.205 127 HB2 SER 16 HB2 SER 16 -1.613 9.570 -8.722 128 HB3 SER 16 HB3 SER 16 -1.704 8.066 -7.800 129 HG SER 16 HG SER 16 -3.409 8.735 -9.484 130 H HIS 17 H HIS 17 -4.340 11.004 -5.936 131 HA HIS 17 HA HIS 17 -3.885 13.493 -7.421 132 HB2 HIS 17 HB2 HIS 17 -6.114 12.334 -7.468 133 HB3 HIS 17 HB3 HIS 17 -6.257 12.631 -5.736 134 HD1 HIS 17 HD1 HIS 17 -6.000 14.534 -9.015 135 HD2 HIS 17 HD2 HIS 17 -7.362 15.068 -5.130 136 HE1 HIS 17 HE1 HIS 17 -7.090 16.732 -9.019 137 HE2 HIS 17 HE2 HIS 17 -7.591 17.184 -6.593 138 H VAL 18 H VAL 18 -2.692 12.296 -4.719 139 HA VAL 18 HA VAL 18 -3.157 14.625 -3.055 140 HB VAL 18 HB VAL 18 -1.557 12.085 -2.384 141 HG11 VAL 18 HG11 VAL 18 -1.664 12.846 -0.114 142 HG12 VAL 18 HG12 VAL 18 -2.487 14.321 -0.627 143 HG13 VAL 18 HG13 VAL 18 -0.826 14.011 -1.140 144 HG21 VAL 18 HG21 VAL 18 -4.004 11.611 -2.725 145 HG22 VAL 18 HG22 VAL 18 -4.391 12.854 -1.555 146 HG23 VAL 18 HG23 VAL 18 -3.531 11.380 -1.095 147 H ALA 19 H ALA 19 -1.645 16.174 -2.756 148 HA ALA 19 HA ALA 19 0.778 16.036 -4.423 149 HB1 ALA 19 HB1 ALA 19 -0.760 17.880 -4.885 150 HB2 ALA 19 HB2 ALA 19 0.777 18.484 -4.259 151 HB3 ALA 19 HB3 ALA 19 -0.630 18.400 -3.202 152 H ARG 20 H ARG 20 2.807 16.818 -3.594 153 HA ARG 20 HA ARG 20 3.605 15.869 -1.134 154 HB2 ARG 20 HB2 ARG 20 5.172 16.295 -2.913 155 HB3 ARG 20 HB3 ARG 20 4.826 18.014 -2.861 156 HG2 ARG 20 HG2 ARG 20 6.952 17.566 -1.843 157 HG3 ARG 20 HG3 ARG 20 5.822 18.126 -0.605 158 HD2 ARG 20 HD2 ARG 20 5.436 15.784 0.017 159 HD3 ARG 20 HD3 ARG 20 6.632 15.286 -1.172 160 HE ARG 20 HE ARG 20 7.196 16.908 1.217 161 HH11 ARG 20 HH11 ARG 20 8.312 14.625 -1.265 162 HH12 ARG 20 HH12 ARG 20 9.790 14.297 -0.466 163 HH21 ARG 20 HH21 ARG 20 9.231 16.407 2.283 164 HH22 ARG 20 HH22 ARG 20 10.308 15.295 1.586 165 H ALA 21 H ALA 21 2.584 19.118 -2.039 166 HA ALA 21 HA ALA 21 3.304 20.533 0.264 167 HB1 ALA 21 HB1 ALA 21 0.993 20.991 -1.574 168 HB2 ALA 21 HB2 ALA 21 2.641 21.575 -1.835 169 HB3 ALA 21 HB3 ALA 21 1.688 22.178 -0.465 170 H ASN 22 H ASN 22 0.711 18.331 -0.286 171 HA ASN 22 HA ASN 22 -0.706 19.244 2.102 172 HB2 ASN 22 HB2 ASN 22 -2.009 18.954 0.025 173 HB3 ASN 22 HB3 ASN 22 -1.497 17.279 -0.064 174 HD21 ASN 22 HD21 ASN 22 -3.581 16.618 -0.096 175 HD22 ASN 22 HD22 ASN 22 -4.638 16.602 1.267 176 H VAL 23 H VAL 23 1.806 17.379 1.466 177 HA VAL 23 HA VAL 23 0.950 15.192 3.185 178 HB VAL 23 HB VAL 23 3.388 15.397 1.434 179 HG11 VAL 23 HG11 VAL 23 2.581 13.189 3.303 180 HG12 VAL 23 HG12 VAL 23 4.027 14.188 3.393 181 HG13 VAL 23 HG13 VAL 23 3.820 13.062 2.054 182 HG21 VAL 23 HG21 VAL 23 0.936 13.654 1.308 183 HG22 VAL 23 HG22 VAL 23 2.308 13.575 0.203 184 HG23 VAL 23 HG23 VAL 23 1.299 15.014 0.253 185 H LYS 24 H LYS 24 1.368 15.326 5.175 186 HA LYS 24 HA LYS 24 3.197 17.186 6.401 187 HB2 LYS 24 HB2 LYS 24 0.826 16.578 7.215 188 HB3 LYS 24 HB3 LYS 24 1.505 15.039 7.698 189 HG2 LYS 24 HG2 LYS 24 1.487 16.367 9.615 190 HG3 LYS 24 HG3 LYS 24 3.168 16.322 9.049 191 HD2 LYS 24 HD2 LYS 24 2.969 18.653 9.289 192 HD3 LYS 24 HD3 LYS 24 2.333 18.296 7.660 193 HE2 LYS 24 HE2 LYS 24 0.890 19.855 8.871 194 HE3 LYS 24 HE3 LYS 24 0.112 18.374 8.318 195 HZ1 LYS 24 HZ1 LYS 24 1.029 18.873 11.103 196 HZ2 LYS 24 HZ2 LYS 24 0.189 17.515 10.554 197 HZ3 LYS 24 HZ3 LYS 24 -0.546 19.019 10.565 198 H HIS 25 H HIS 25 2.507 13.788 6.688 199 HA HIS 25 HA HIS 25 5.261 13.122 7.453 200 HB2 HIS 25 HB2 HIS 25 3.705 12.566 9.229 201 HB3 HIS 25 HB3 HIS 25 2.582 11.904 8.084 202 HD1 HIS 25 HD1 HIS 25 5.585 10.948 10.071 203 HD2 HIS 25 HD2 HIS 25 3.091 9.348 7.161 204 HE1 HIS 25 HE1 HIS 25 6.028 8.498 10.101 205 HE2 HIS 25 HE2 HIS 25 4.127 7.592 8.749 206 H LEU 26 H LEU 26 6.299 11.558 6.209 207 HA LEU 26 HA LEU 26 4.702 10.141 4.248 208 HB2 LEU 26 HB2 LEU 26 5.674 12.242 3.291 209 HB3 LEU 26 HB3 LEU 26 7.262 11.620 3.650 210 HG LEU 26 HG LEU 26 6.959 9.839 2.000 211 HD11 LEU 26 HD11 LEU 26 5.004 9.829 0.568 212 HD12 LEU 26 HD12 LEU 26 4.268 11.128 1.505 213 HD13 LEU 26 HD13 LEU 26 4.521 9.537 2.237 214 HD21 LEU 26 HD21 LEU 26 7.867 11.958 1.297 215 HD22 LEU 26 HD22 LEU 26 6.242 12.584 1.021 216 HD23 LEU 26 HD23 LEU 26 6.866 11.274 0.017 217 H LYS 27 H LYS 27 5.028 8.103 4.784 218 HA LYS 27 HA LYS 27 7.635 7.149 5.805 219 HB2 LYS 27 HB2 LYS 27 5.706 6.963 7.442 220 HB3 LYS 27 HB3 LYS 27 4.848 6.093 6.228 221 HG2 LYS 27 HG2 LYS 27 5.731 4.573 7.884 222 HG3 LYS 27 HG3 LYS 27 6.397 4.245 6.283 223 HD2 LYS 27 HD2 LYS 27 8.223 4.065 7.788 224 HD3 LYS 27 HD3 LYS 27 8.377 5.636 6.999 225 HE2 LYS 27 HE2 LYS 27 8.826 5.840 9.381 226 HE3 LYS 27 HE3 LYS 27 7.357 6.714 8.946 227 HZ1 LYS 27 HZ1 LYS 27 7.447 4.012 10.195 228 HZ2 LYS 27 HZ2 LYS 27 6.043 4.854 9.799 229 HZ3 LYS 27 HZ3 LYS 27 7.075 5.437 10.988 230 H ILE 28 H ILE 28 8.414 5.150 4.825 231 HA ILE 28 HA ILE 28 6.818 4.369 2.505 232 HB ILE 28 HB ILE 28 9.765 3.739 2.916 233 HG12 ILE 28 HG12 ILE 28 8.385 5.985 1.512 234 HG13 ILE 28 HG13 ILE 28 9.539 6.129 2.838 235 HG21 ILE 28 HG21 ILE 28 8.286 2.405 1.280 236 HG22 ILE 28 HG22 ILE 28 9.692 3.246 0.555 237 HG23 ILE 28 HG23 ILE 28 8.104 3.995 0.493 238 HD11 ILE 28 HD11 ILE 28 11.232 5.099 1.237 239 HD12 ILE 28 HD12 ILE 28 10.621 6.732 0.828 240 HD13 ILE 28 HD13 ILE 28 9.932 5.330 0.034 241 H LEU 29 H LEU 29 5.676 2.505 2.748 242 HA LEU 29 HA LEU 29 6.714 0.534 4.610 243 HB2 LEU 29 HB2 LEU 29 4.534 1.815 5.075 244 HB3 LEU 29 HB3 LEU 29 3.872 0.994 3.687 245 HG LEU 29 HG LEU 29 4.919 -0.323 6.138 246 HD11 LEU 29 HD11 LEU 29 2.060 0.257 5.311 247 HD12 LEU 29 HD12 LEU 29 2.923 0.979 6.669 248 HD13 LEU 29 HD13 LEU 29 2.505 -0.733 6.699 249 HD21 LEU 29 HD21 LEU 29 3.690 -2.342 5.353 250 HD22 LEU 29 HD22 LEU 29 4.972 -1.843 4.250 251 HD23 LEU 29 HD23 LEU 29 3.290 -1.474 3.870 252 H ASN 30 H ASN 30 7.437 -1.254 3.554 253 HA ASN 30 HA ASN 30 6.346 -1.799 0.892 254 HB2 ASN 30 HB2 ASN 30 8.815 -1.449 0.954 255 HB3 ASN 30 HB3 ASN 30 8.959 -2.776 2.091 256 HD21 ASN 30 HD21 ASN 30 10.264 -3.951 0.699 257 HD22 ASN 30 HD22 ASN 30 9.659 -4.724 -0.713 258 H THR 31 H THR 31 5.462 -3.766 0.492 259 HA THR 31 HA THR 31 5.190 -5.497 2.837 260 HB THR 31 HB THR 31 3.112 -4.856 0.727 261 HG1 THR 31 HG1 THR 31 3.811 -3.710 3.063 262 HG21 THR 31 HG21 THR 31 2.873 -6.490 3.266 263 HG22 THR 31 HG22 THR 31 2.884 -7.138 1.626 264 HG23 THR 31 HG23 THR 31 1.557 -6.101 2.152 265 HA PRO 32 HA PRO 32 7.444 -8.640 0.635 266 HB2 PRO 32 HB2 PRO 32 5.146 -10.242 1.690 267 HB3 PRO 32 HB3 PRO 32 6.856 -10.675 1.637 268 HG2 PRO 32 HG2 PRO 32 5.810 -9.749 3.881 269 HG3 PRO 32 HG3 PRO 32 7.411 -9.199 3.358 270 HD2 PRO 32 HD2 PRO 32 4.833 -7.731 3.378 271 HD3 PRO 32 HD3 PRO 32 6.490 -7.104 3.470 272 H ASN 33 H ASN 33 3.954 -9.321 0.354 273 HA ASN 33 HA ASN 33 4.430 -10.304 -2.358 274 HB2 ASN 33 HB2 ASN 33 1.988 -10.520 -0.582 275 HB3 ASN 33 HB3 ASN 33 2.150 -11.242 -2.174 276 HD21 ASN 33 HD21 ASN 33 1.762 -12.465 0.478 277 HD22 ASN 33 HD22 ASN 33 3.056 -13.590 0.640 278 H CYS 34 H CYS 34 4.245 -7.396 -1.551 279 HA CYS 34 HA CYS 34 2.274 -6.663 -3.578 280 HB2 CYS 34 HB2 CYS 34 2.640 -5.348 -0.916 281 HB3 CYS 34 HB3 CYS 34 1.646 -4.708 -2.206 282 H ALA 35 H ALA 35 2.589 -4.052 -3.626 283 HA ALA 35 HA ALA 35 5.340 -3.641 -4.473 284 HB1 ALA 35 HB1 ALA 35 4.347 -1.651 -5.535 285 HB2 ALA 35 HB2 ALA 35 2.817 -2.101 -4.777 286 HB3 ALA 35 HB3 ALA 35 3.508 -3.149 -6.019 287 H LEU 36 H LEU 36 5.682 -1.045 -4.234 288 HA LEU 36 HA LEU 36 5.897 -0.599 -1.450 289 HB2 LEU 36 HB2 LEU 36 6.731 0.923 -3.860 290 HB3 LEU 36 HB3 LEU 36 6.607 1.768 -2.336 291 HG LEU 36 HG LEU 36 8.877 1.084 -2.814 292 HD11 LEU 36 HD11 LEU 36 7.677 -0.373 -0.478 293 HD12 LEU 36 HD12 LEU 36 8.190 1.316 -0.529 294 HD13 LEU 36 HD13 LEU 36 9.383 0.025 -0.686 295 HD21 LEU 36 HD21 LEU 36 7.836 -1.721 -2.605 296 HD22 LEU 36 HD22 LEU 36 9.536 -1.283 -2.729 297 HD23 LEU 36 HD23 LEU 36 8.445 -0.973 -4.090 298 H GLN 37 H GLN 37 5.024 0.806 -0.292 299 HA GLN 37 HA GLN 37 2.689 2.273 -1.226 300 HB2 GLN 37 HB2 GLN 37 2.790 0.154 0.864 301 HB3 GLN 37 HB3 GLN 37 1.716 1.522 1.110 302 HG2 GLN 37 HG2 GLN 37 0.272 0.854 -0.469 303 HG3 GLN 37 HG3 GLN 37 1.552 0.282 -1.542 304 HE21 GLN 37 HE21 GLN 37 2.747 -1.493 0.175 305 HE22 GLN 37 HE22 GLN 37 1.709 -2.835 0.428 306 H ILE 38 H ILE 38 3.339 4.235 -0.939 307 HA ILE 38 HA ILE 38 4.938 4.777 1.404 308 HB ILE 38 HB ILE 38 4.471 6.566 -1.016 309 HG12 ILE 38 HG12 ILE 38 6.604 4.572 -0.316 310 HG13 ILE 38 HG13 ILE 38 5.524 4.522 -1.686 311 HG21 ILE 38 HG21 ILE 38 6.447 7.751 -0.145 312 HG22 ILE 38 HG22 ILE 38 6.535 6.596 1.187 313 HG23 ILE 38 HG23 ILE 38 5.171 7.713 1.081 314 HD11 ILE 38 HD11 ILE 38 6.637 6.548 -2.570 315 HD12 ILE 38 HD12 ILE 38 7.670 5.129 -2.422 316 HD13 ILE 38 HD13 ILE 38 7.808 6.423 -1.239 317 H VAL 39 H VAL 39 4.201 5.898 2.955 318 HA VAL 39 HA VAL 39 1.307 6.394 2.875 319 HB VAL 39 HB VAL 39 3.099 5.881 5.247 320 HG11 VAL 39 HG11 VAL 39 1.271 7.235 5.916 321 HG12 VAL 39 HG12 VAL 39 1.059 5.598 6.526 322 HG13 VAL 39 HG13 VAL 39 0.108 6.142 5.137 323 HG21 VAL 39 HG21 VAL 39 1.992 3.707 5.382 324 HG22 VAL 39 HG22 VAL 39 2.870 3.909 3.867 325 HG23 VAL 39 HG23 VAL 39 1.110 4.064 3.895 326 H ALA 40 H ALA 40 0.492 8.345 3.189 327 HA ALA 40 HA ALA 40 2.299 10.434 4.178 328 HB1 ALA 40 HB1 ALA 40 1.268 11.977 2.680 329 HB2 ALA 40 HB2 ALA 40 0.192 10.701 2.087 330 HB3 ALA 40 HB3 ALA 40 1.954 10.608 1.812 331 H ARG 41 H ARG 41 1.396 12.110 5.203 332 HA ARG 41 HA ARG 41 -1.310 11.789 6.256 333 HB2 ARG 41 HB2 ARG 41 1.135 12.901 7.490 334 HB3 ARG 41 HB3 ARG 41 -0.410 13.493 8.018 335 HG2 ARG 41 HG2 ARG 41 0.291 10.594 7.976 336 HG3 ARG 41 HG3 ARG 41 0.504 11.686 9.366 337 HD2 ARG 41 HD2 ARG 41 -1.858 12.168 9.341 338 HD3 ARG 41 HD3 ARG 41 -2.082 11.065 7.987 339 HE ARG 41 HE ARG 41 -0.831 9.587 9.906 340 HH11 ARG 41 HH11 ARG 41 -3.875 11.441 9.858 341 HH12 ARG 41 HH12 ARG 41 -4.654 10.348 10.904 342 HH21 ARG 41 HH21 ARG 41 -1.924 8.186 11.349 343 HH22 ARG 41 HH22 ARG 41 -3.544 8.496 11.793 344 H LEU 42 H LEU 42 -2.614 13.324 6.064 345 HA LEU 42 HA LEU 42 -1.807 15.353 4.122 346 HB2 LEU 42 HB2 LEU 42 -4.530 14.651 5.153 347 HB3 LEU 42 HB3 LEU 42 -4.310 15.818 3.884 348 HG LEU 42 HG LEU 42 -3.921 12.856 3.824 349 HD11 LEU 42 HD11 LEU 42 -6.086 13.732 3.313 350 HD12 LEU 42 HD12 LEU 42 -5.334 13.058 1.853 351 HD13 LEU 42 HD13 LEU 42 -5.355 14.804 2.109 352 HD21 LEU 42 HD21 LEU 42 -2.948 13.058 1.603 353 HD22 LEU 42 HD22 LEU 42 -1.893 13.744 2.837 354 HD23 LEU 42 HD23 LEU 42 -2.849 14.811 1.804 355 H LYS 43 H LYS 43 -1.394 17.354 4.538 356 HA LYS 43 HA LYS 43 -1.495 18.387 7.205 357 HB2 LYS 43 HB2 LYS 43 -1.016 19.932 4.658 358 HB3 LYS 43 HB3 LYS 43 -0.552 20.401 6.284 359 HG2 LYS 43 HG2 LYS 43 0.938 18.432 6.359 360 HG3 LYS 43 HG3 LYS 43 0.543 18.119 4.678 361 HD2 LYS 43 HD2 LYS 43 2.649 19.278 4.770 362 HD3 LYS 43 HD3 LYS 43 1.438 20.365 4.102 363 HE2 LYS 43 HE2 LYS 43 1.231 21.518 6.215 364 HE3 LYS 43 HE3 LYS 43 2.297 20.352 6.996 365 HZ1 LYS 43 HZ1 LYS 43 4.087 21.111 5.573 366 HZ2 LYS 43 HZ2 LYS 43 3.443 22.407 6.446 367 HZ3 LYS 43 HZ3 LYS 43 3.071 22.228 4.833 368 H ASN 44 H ASN 44 -3.386 18.973 4.256 369 HA ASN 44 HA ASN 44 -4.912 21.053 5.558 370 HB2 ASN 44 HB2 ASN 44 -5.300 19.756 2.853 371 HB3 ASN 44 HB3 ASN 44 -6.210 21.137 3.446 372 HD21 ASN 44 HD21 ASN 44 -5.166 23.119 3.624 373 HD22 ASN 44 HD22 ASN 44 -3.685 23.473 2.824 374 H ASN 45 H ASN 45 -5.152 17.731 5.098 375 HA ASN 45 HA ASN 45 -8.043 17.732 5.751 376 HB2 ASN 45 HB2 ASN 45 -7.316 16.758 3.581 377 HB3 ASN 45 HB3 ASN 45 -6.363 15.586 4.457 378 HD21 ASN 45 HD21 ASN 45 -8.465 15.278 2.522 379 HD22 ASN 45 HD22 ASN 45 -9.686 14.339 3.258 380 H ASN 46 H ASN 46 -4.902 16.498 6.754 381 HA ASN 46 HA ASN 46 -4.094 15.695 8.582 382 HB2 ASN 46 HB2 ASN 46 -6.790 16.195 9.837 383 HB3 ASN 46 HB3 ASN 46 -5.421 15.553 10.742 384 HD21 ASN 46 HD21 ASN 46 -6.765 18.337 9.178 385 HD22 ASN 46 HD22 ASN 46 -5.597 19.467 9.752 386 H ARG 47 H ARG 47 -6.067 13.994 6.792 387 HA ARG 47 HA ARG 47 -6.051 11.614 8.447 388 HB2 ARG 47 HB2 ARG 47 -7.216 10.503 6.611 389 HB3 ARG 47 HB3 ARG 47 -7.946 12.051 7.039 390 HG2 ARG 47 HG2 ARG 47 -7.025 13.104 5.191 391 HG3 ARG 47 HG3 ARG 47 -6.057 11.679 4.789 392 HD2 ARG 47 HD2 ARG 47 -8.090 10.403 4.333 393 HD3 ARG 47 HD3 ARG 47 -9.079 11.789 4.793 394 HE ARG 47 HE ARG 47 -8.147 12.963 2.885 395 HH11 ARG 47 HH11 ARG 47 -7.945 9.372 2.814 396 HH12 ARG 47 HH12 ARG 47 -7.834 9.357 1.111 397 HH21 ARG 47 HH21 ARG 47 -8.011 12.799 0.556 398 HH22 ARG 47 HH22 ARG 47 -7.868 11.254 -0.166 399 H GLN 48 H GLN 48 -5.286 9.507 7.352 400 HA GLN 48 HA GLN 48 -2.574 9.890 6.422 401 HB2 GLN 48 HB2 GLN 48 -3.146 8.545 8.437 402 HB3 GLN 48 HB3 GLN 48 -4.126 7.507 7.416 403 HG2 GLN 48 HG2 GLN 48 -2.108 6.995 6.116 404 HG3 GLN 48 HG3 GLN 48 -1.207 7.947 7.307 405 HE21 GLN 48 HE21 GLN 48 0.015 6.146 7.980 406 HE22 GLN 48 HE22 GLN 48 -0.692 4.885 8.931 407 H VAL 49 H VAL 49 -2.054 8.810 4.343 408 HA VAL 49 HA VAL 49 -4.039 7.078 3.184 409 HB VAL 49 HB VAL 49 -4.652 9.386 2.427 410 HG11 VAL 49 HG11 VAL 49 -3.446 10.399 0.579 411 HG12 VAL 49 HG12 VAL 49 -2.155 9.236 0.786 412 HG13 VAL 49 HG13 VAL 49 -2.497 10.414 2.076 413 HG21 VAL 49 HG21 VAL 49 -3.964 7.423 0.257 414 HG22 VAL 49 HG22 VAL 49 -5.087 8.765 0.086 415 HG23 VAL 49 HG23 VAL 49 -5.449 7.456 1.208 416 H CYS 50 H CYS 50 -3.283 6.047 1.344 417 HA CYS 50 HA CYS 50 -0.381 5.718 1.341 418 HB2 CYS 50 HB2 CYS 50 -2.531 3.942 0.191 419 HB3 CYS 50 HB3 CYS 50 -0.807 3.649 -0.009 420 H ILE 51 H ILE 51 0.773 6.571 -0.093 421 HA ILE 51 HA ILE 51 -0.385 7.845 -2.413 422 HB ILE 51 HB ILE 51 2.350 7.960 -1.117 423 HG12 ILE 51 HG12 ILE 51 0.587 9.111 0.241 424 HG13 ILE 51 HG13 ILE 51 1.785 10.215 -0.442 425 HG21 ILE 51 HG21 ILE 51 2.577 8.347 -3.420 426 HG22 ILE 51 HG22 ILE 51 2.701 9.901 -2.537 427 HG23 ILE 51 HG23 ILE 51 1.209 9.468 -3.383 428 HD11 ILE 51 HD11 ILE 51 0.334 10.833 -2.116 429 HD12 ILE 51 HD12 ILE 51 -0.378 11.114 -0.523 430 HD13 ILE 51 HD13 ILE 51 -0.935 9.731 -1.517 431 H ASP 52 H ASP 52 0.231 7.285 -4.472 432 HA ASP 52 HA ASP 52 1.200 4.656 -4.938 433 HB2 ASP 52 HB2 ASP 52 -0.455 5.401 -6.400 434 HB3 ASP 52 HB3 ASP 52 0.393 6.907 -6.787 435 HA PRO 53 HA PRO 53 5.497 5.601 -4.846 436 HB2 PRO 53 HB2 PRO 53 6.415 3.309 -6.000 437 HB3 PRO 53 HB3 PRO 53 5.864 3.412 -4.326 438 HG2 PRO 53 HG2 PRO 53 4.367 2.489 -6.746 439 HG3 PRO 53 HG3 PRO 53 4.450 1.744 -5.139 440 HD2 PRO 53 HD2 PRO 53 2.350 3.218 -5.869 441 HD3 PRO 53 HD3 PRO 53 2.989 3.288 -4.211 442 H LYS 54 H LYS 54 3.731 5.253 -7.753 443 HA LYS 54 HA LYS 54 6.033 5.555 -9.472 444 HB2 LYS 54 HB2 LYS 54 3.104 5.520 -10.109 445 HB3 LYS 54 HB3 LYS 54 4.383 5.611 -11.319 446 HG2 LYS 54 HG2 LYS 54 5.237 3.446 -10.563 447 HG3 LYS 54 HG3 LYS 54 3.945 3.356 -9.368 448 HD2 LYS 54 HD2 LYS 54 3.581 3.520 -12.348 449 HD3 LYS 54 HD3 LYS 54 3.451 2.042 -11.389 450 HE2 LYS 54 HE2 LYS 54 1.589 3.078 -10.129 451 HE3 LYS 54 HE3 LYS 54 1.700 4.499 -11.159 452 HZ1 LYS 54 HZ1 LYS 54 -0.036 3.020 -11.894 453 HZ2 LYS 54 HZ2 LYS 54 1.053 1.755 -12.077 454 HZ3 LYS 54 HZ3 LYS 54 1.171 3.112 -13.062 455 H LEU 55 H LEU 55 3.988 7.633 -7.758 456 HA LEU 55 HA LEU 55 3.818 9.929 -9.358 457 HB2 LEU 55 HB2 LEU 55 4.083 9.507 -6.438 458 HB3 LEU 55 HB3 LEU 55 3.908 11.119 -7.068 459 HG LEU 55 HG LEU 55 1.906 8.837 -7.311 460 HD11 LEU 55 HD11 LEU 55 0.531 10.216 -5.874 461 HD12 LEU 55 HD12 LEU 55 1.814 11.426 -5.803 462 HD13 LEU 55 HD13 LEU 55 2.078 9.830 -5.114 463 HD21 LEU 55 HD21 LEU 55 1.842 10.256 -9.302 464 HD22 LEU 55 HD22 LEU 55 1.712 11.685 -8.275 465 HD23 LEU 55 HD23 LEU 55 0.416 10.495 -8.298 466 H LYS 56 H LYS 56 5.055 11.576 -9.863 467 HA LYS 56 HA LYS 56 7.825 10.989 -9.918 468 HB2 LYS 56 HB2 LYS 56 6.609 12.075 -11.803 469 HB3 LYS 56 HB3 LYS 56 6.412 13.514 -10.812 470 HG2 LYS 56 HG2 LYS 56 8.808 13.831 -10.751 471 HG3 LYS 56 HG3 LYS 56 9.055 12.343 -11.659 472 HD2 LYS 56 HD2 LYS 56 7.804 13.326 -13.551 473 HD3 LYS 56 HD3 LYS 56 7.628 14.822 -12.634 474 HE2 LYS 56 HE2 LYS 56 10.085 15.031 -12.538 475 HE3 LYS 56 HE3 LYS 56 10.220 13.547 -13.477 476 HZ1 LYS 56 HZ1 LYS 56 9.134 14.638 -15.327 477 HZ2 LYS 56 HZ2 LYS 56 10.472 15.519 -14.839 478 HZ3 LYS 56 HZ3 LYS 56 8.937 16.046 -14.408 479 H TRP 57 H TRP 57 5.797 13.066 -7.946 480 HA TRP 57 HA TRP 57 8.065 14.382 -6.732 481 HB2 TRP 57 HB2 TRP 57 6.519 15.394 -5.169 482 HB3 TRP 57 HB3 TRP 57 5.755 15.409 -6.742 483 HD1 TRP 57 HD1 TRP 57 3.401 14.050 -6.955 484 HE1 TRP 57 HE1 TRP 57 1.843 13.034 -5.135 485 HE3 TRP 57 HE3 TRP 57 6.574 14.069 -2.962 486 HZ2 TRP 57 HZ2 TRP 57 1.952 12.328 -2.469 487 HZ3 TRP 57 HZ3 TRP 57 5.783 13.197 -0.834 488 HH2 TRP 57 HH2 TRP 57 3.522 12.333 -0.579 489 H ILE 58 H ILE 58 6.569 11.434 -6.443 490 HA ILE 58 HA ILE 58 7.584 10.813 -3.854 491 HB ILE 58 HB ILE 58 6.192 9.289 -6.012 492 HG12 ILE 58 HG12 ILE 58 4.846 10.648 -4.513 493 HG13 ILE 58 HG13 ILE 58 4.491 8.931 -4.328 494 HG21 ILE 58 HG21 ILE 58 7.434 8.053 -3.607 495 HG22 ILE 58 HG22 ILE 58 7.773 7.719 -5.316 496 HG23 ILE 58 HG23 ILE 58 6.187 7.324 -4.658 497 HD11 ILE 58 HD11 ILE 58 4.540 10.057 -2.188 498 HD12 ILE 58 HD12 ILE 58 6.193 10.594 -2.471 499 HD13 ILE 58 HD13 ILE 58 5.838 8.872 -2.299 500 H GLN 59 H GLN 59 8.481 10.273 -7.196 501 HA GLN 59 HA GLN 59 10.642 8.565 -6.727 502 HB2 GLN 59 HB2 GLN 59 10.272 10.541 -8.983 503 HB3 GLN 59 HB3 GLN 59 11.463 9.251 -8.965 504 HG2 GLN 59 HG2 GLN 59 9.651 7.597 -8.835 505 HG3 GLN 59 HG3 GLN 59 8.475 8.907 -8.914 506 HE21 GLN 59 HE21 GLN 59 7.567 8.173 -10.818 507 HE22 GLN 59 HE22 GLN 59 8.389 8.245 -12.324 508 H GLU 60 H GLU 60 10.484 12.098 -6.757 509 HA GLU 60 HA GLU 60 13.268 12.511 -6.365 510 HB2 GLU 60 HB2 GLU 60 12.641 14.783 -5.566 511 HB3 GLU 60 HB3 GLU 60 11.841 14.372 -7.090 512 HG2 GLU 60 HG2 GLU 60 9.809 13.959 -5.866 513 HG3 GLU 60 HG3 GLU 60 10.643 14.248 -4.349 514 H TYR 61 H TYR 61 10.599 12.079 -4.249 515 HA TYR 61 HA TYR 61 11.885 12.394 -1.780 516 HB2 TYR 61 HB2 TYR 61 9.517 12.377 -1.744 517 HB3 TYR 61 HB3 TYR 61 9.434 10.835 -2.583 518 HD1 TYR 61 HD1 TYR 61 10.701 12.295 0.632 519 HD2 TYR 61 HD2 TYR 61 9.012 8.934 -1.363 520 HE1 TYR 61 HE1 TYR 61 10.526 11.103 2.785 521 HE2 TYR 61 HE2 TYR 61 8.839 7.729 0.723 522 HH TYR 61 HH TYR 61 9.156 9.274 3.761 523 H LEU 62 H LEU 62 11.380 9.489 -3.724 524 HA LEU 62 HA LEU 62 12.623 7.596 -2.032 525 HB2 LEU 62 HB2 LEU 62 12.555 7.679 -5.039 526 HB3 LEU 62 HB3 LEU 62 12.986 6.283 -4.073 527 HG LEU 62 HG LEU 62 10.288 7.619 -4.110 528 HD11 LEU 62 HD11 LEU 62 11.212 4.987 -5.222 529 HD12 LEU 62 HD12 LEU 62 10.808 6.432 -6.154 530 HD13 LEU 62 HD13 LEU 62 9.552 5.601 -5.211 531 HD21 LEU 62 HD21 LEU 62 9.592 5.706 -2.769 532 HD22 LEU 62 HD22 LEU 62 10.812 6.686 -1.954 533 HD23 LEU 62 HD23 LEU 62 11.272 5.155 -2.699 534 H GLU 63 H GLU 63 13.986 9.718 -4.360 535 HA GLU 63 HA GLU 63 16.635 8.758 -4.258 536 HB2 GLU 63 HB2 GLU 63 15.780 11.636 -4.616 537 HB3 GLU 63 HB3 GLU 63 17.347 10.962 -5.044 538 HG2 GLU 63 HG2 GLU 63 16.237 9.486 -6.656 539 HG3 GLU 63 HG3 GLU 63 14.700 10.242 -6.260 540 H LYS 64 H LYS 64 15.049 11.193 -2.248 541 HA LYS 64 HA LYS 64 17.439 11.396 -0.627 542 HB2 LYS 64 HB2 LYS 64 14.833 12.892 -0.483 543 HB3 LYS 64 HB3 LYS 64 16.137 13.086 0.681 544 HG2 LYS 64 HG2 LYS 64 16.332 13.632 -2.278 545 HG3 LYS 64 HG3 LYS 64 16.187 14.851 -1.005 546 HD2 LYS 64 HD2 LYS 64 18.291 14.037 -0.025 547 HD3 LYS 64 HD3 LYS 64 18.450 12.880 -1.346 548 HE2 LYS 64 HE2 LYS 64 18.495 14.789 -2.917 549 HE3 LYS 64 HE3 LYS 64 18.466 15.875 -1.527 550 HZ1 LYS 64 HZ1 LYS 64 20.505 14.684 -0.738 551 HZ2 LYS 64 HZ2 LYS 64 20.736 15.573 -2.182 552 HZ3 LYS 64 HZ3 LYS 64 20.544 13.893 -2.195 553 H ALA 65 H ALA 65 14.565 9.610 -0.480 554 HA ALA 65 HA ALA 65 14.515 9.211 2.334 555 HB1 ALA 65 HB1 ALA 65 12.579 8.682 0.907 556 HB2 ALA 65 HB2 ALA 65 13.085 7.269 1.837 557 HB3 ALA 65 HB3 ALA 65 13.503 7.402 0.130 558 H LEU 66 H LEU 66 16.096 7.713 -0.343 559 HA LEU 66 HA LEU 66 17.449 5.828 1.369 560 HB2 LEU 66 HB2 LEU 66 17.306 6.209 -1.595 561 HB3 LEU 66 HB3 LEU 66 18.538 5.157 -0.908 562 HG LEU 66 HG LEU 66 16.644 3.784 0.060 563 HD11 LEU 66 HD11 LEU 66 14.904 5.504 -1.682 564 HD12 LEU 66 HD12 LEU 66 14.881 5.430 0.078 565 HD13 LEU 66 HD13 LEU 66 14.412 4.017 -0.867 566 HD21 LEU 66 HD21 LEU 66 16.703 4.092 -2.932 567 HD22 LEU 66 HD22 LEU 66 16.062 2.703 -2.054 568 HD23 LEU 66 HD23 LEU 66 17.779 3.091 -1.961 569 H ASN 67 H ASN 67 18.504 8.280 -1.066 570 HA ASN 67 HA ASN 67 20.964 8.573 0.496 571 HB2 ASN 67 HB2 ASN 67 20.426 9.123 -2.435 572 HB3 ASN 67 HB3 ASN 67 21.870 9.682 -1.610 573 HD21 ASN 67 HD21 ASN 67 23.180 8.509 -2.943 574 HD22 ASN 67 HD22 ASN 67 23.330 6.786 -2.879 575 H LYS 68 H LYS 68 20.579 10.157 1.900 576 HA LYS 68 HA LYS 68 19.052 12.416 0.982 577 HB2 LYS 68 HB2 LYS 68 18.898 13.056 3.387 578 HB3 LYS 68 HB3 LYS 68 18.161 11.524 2.955 579 HG2 LYS 68 HG2 LYS 68 20.247 10.411 3.800 580 HG3 LYS 68 HG3 LYS 68 20.736 11.990 4.423 581 HD2 LYS 68 HD2 LYS 68 18.188 10.596 5.023 582 HD3 LYS 68 HD3 LYS 68 19.590 10.571 6.122 583 HE2 LYS 68 HE2 LYS 68 19.365 13.079 6.234 584 HE3 LYS 68 HE3 LYS 68 17.892 12.939 5.274 585 HZ1 LYS 68 HZ1 LYS 68 17.370 13.080 7.623 586 HZ2 LYS 68 HZ2 LYS 68 18.338 11.742 7.951 587 HZ3 LYS 68 HZ3 LYS 68 16.925 11.577 7.054 Start of MODEL 13 1 H LYS 1 H LYS 1 -22.260 -6.364 -0.989 2 HA LYS 1 HA LYS 1 -21.691 -8.640 -0.732 3 HB2 LYS 1 HB2 LYS 1 -20.962 -8.493 -3.668 4 HB3 LYS 1 HB3 LYS 1 -20.653 -9.851 -2.606 5 HG2 LYS 1 HG2 LYS 1 -23.081 -10.163 -2.344 6 HG3 LYS 1 HG3 LYS 1 -23.351 -8.836 -3.473 7 HD2 LYS 1 HD2 LYS 1 -22.111 -10.050 -5.200 8 HD3 LYS 1 HD3 LYS 1 -21.864 -11.391 -4.084 9 HE2 LYS 1 HE2 LYS 1 -24.331 -11.668 -3.957 10 HE3 LYS 1 HE3 LYS 1 -24.500 -10.381 -5.149 11 HZ1 LYS 1 HZ1 LYS 1 -23.095 -12.958 -5.570 12 HZ2 LYS 1 HZ2 LYS 1 -23.248 -11.747 -6.729 13 HZ3 LYS 1 HZ3 LYS 1 -24.609 -12.582 -6.171 14 HA PRO 2 HA PRO 2 -17.762 -6.633 -0.151 15 HB2 PRO 2 HB2 PRO 2 -16.654 -8.391 1.530 16 HB3 PRO 2 HB3 PRO 2 -18.019 -7.384 2.034 17 HG2 PRO 2 HG2 PRO 2 -18.000 -10.246 1.170 18 HG3 PRO 2 HG3 PRO 2 -18.882 -9.488 2.505 19 HD2 PRO 2 HD2 PRO 2 -19.995 -10.052 0.052 20 HD3 PRO 2 HD3 PRO 2 -20.569 -8.778 1.149 21 H VAL 3 H VAL 3 -15.577 -6.947 -0.745 22 HA VAL 3 HA VAL 3 -15.173 -9.039 -2.718 23 HB VAL 3 HB VAL 3 -13.332 -6.742 -1.964 24 HG11 VAL 3 HG11 VAL 3 -13.389 -8.490 -4.416 25 HG12 VAL 3 HG12 VAL 3 -12.215 -8.590 -3.105 26 HG13 VAL 3 HG13 VAL 3 -12.281 -7.149 -4.119 27 HG21 VAL 3 HG21 VAL 3 -15.451 -5.858 -2.766 28 HG22 VAL 3 HG22 VAL 3 -15.361 -6.881 -4.195 29 HG23 VAL 3 HG23 VAL 3 -14.182 -5.590 -3.960 30 H SER 4 H SER 4 -13.912 -10.783 -2.295 31 HA SER 4 HA SER 4 -12.914 -11.017 0.388 32 HB2 SER 4 HB2 SER 4 -14.192 -12.886 -0.562 33 HB3 SER 4 HB3 SER 4 -13.033 -13.038 -1.873 34 HG SER 4 HG SER 4 -12.134 -13.191 0.776 35 H LEU 5 H LEU 5 -11.167 -9.770 0.526 36 HA LEU 5 HA LEU 5 -8.850 -10.442 -1.166 37 HB2 LEU 5 HB2 LEU 5 -9.455 -7.868 0.296 38 HB3 LEU 5 HB3 LEU 5 -8.003 -8.205 -0.620 39 HG LEU 5 HG LEU 5 -10.778 -7.983 -1.778 40 HD11 LEU 5 HD11 LEU 5 -8.444 -6.091 -1.883 41 HD12 LEU 5 HD12 LEU 5 -9.931 -5.852 -0.963 42 HD13 LEU 5 HD13 LEU 5 -9.980 -5.892 -2.726 43 HD21 LEU 5 HD21 LEU 5 -9.354 -9.500 -3.046 44 HD22 LEU 5 HD22 LEU 5 -8.086 -8.274 -3.113 45 HD23 LEU 5 HD23 LEU 5 -9.622 -8.001 -3.937 46 H SER 6 H SER 6 -7.061 -11.082 -0.087 47 HA SER 6 HA SER 6 -7.331 -11.529 2.734 48 HB2 SER 6 HB2 SER 6 -6.302 -13.232 1.220 49 HB3 SER 6 HB3 SER 6 -5.020 -12.086 0.848 50 HG SER 6 HG SER 6 -5.632 -13.105 3.418 51 H TYR 7 H TYR 7 -6.040 -10.478 4.297 52 HA TYR 7 HA TYR 7 -5.261 -7.847 3.484 53 HB2 TYR 7 HB2 TYR 7 -6.380 -8.213 5.679 54 HB3 TYR 7 HB3 TYR 7 -4.956 -9.091 6.226 55 HD1 TYR 7 HD1 TYR 7 -6.218 -5.773 5.220 56 HD2 TYR 7 HD2 TYR 7 -2.980 -7.905 6.970 57 HE1 TYR 7 HE1 TYR 7 -5.224 -3.653 5.945 58 HE2 TYR 7 HE2 TYR 7 -1.974 -5.796 7.696 59 HH TYR 7 HH TYR 7 -2.010 -3.463 7.114 60 H ARG 8 H ARG 8 -3.639 -7.960 2.226 61 HA ARG 8 HA ARG 8 -1.117 -9.255 3.014 62 HB2 ARG 8 HB2 ARG 8 -1.754 -7.632 0.551 63 HB3 ARG 8 HB3 ARG 8 -0.365 -8.664 0.800 64 HG2 ARG 8 HG2 ARG 8 -1.780 -10.627 0.713 65 HG3 ARG 8 HG3 ARG 8 -3.215 -9.604 0.561 66 HD2 ARG 8 HD2 ARG 8 -2.287 -8.646 -1.503 67 HD3 ARG 8 HD3 ARG 8 -0.902 -9.718 -1.370 68 HE ARG 8 HE ARG 8 -3.373 -11.122 -1.369 69 HH11 ARG 8 HH11 ARG 8 -0.978 -9.556 -3.506 70 HH12 ARG 8 HH12 ARG 8 -1.423 -10.463 -4.862 71 HH21 ARG 8 HH21 ARG 8 -3.965 -12.341 -3.259 72 HH22 ARG 8 HH22 ARG 8 -3.143 -12.084 -4.726 73 H CYS 9 H CYS 9 -2.530 -6.179 2.101 74 HA CYS 9 HA CYS 9 -0.532 -4.687 3.550 75 HB2 CYS 9 HB2 CYS 9 -0.431 -3.167 1.518 76 HB3 CYS 9 HB3 CYS 9 0.377 -4.720 1.347 77 HA PRO 10 HA PRO 10 -4.027 -2.447 4.917 78 HB2 PRO 10 HB2 PRO 10 -3.180 0.156 4.850 79 HB3 PRO 10 HB3 PRO 10 -2.740 -1.012 6.102 80 HG2 PRO 10 HG2 PRO 10 -1.199 -0.155 3.688 81 HG3 PRO 10 HG3 PRO 10 -0.619 -0.430 5.341 82 HD2 PRO 10 HD2 PRO 10 -0.244 -2.242 3.415 83 HD3 PRO 10 HD3 PRO 10 -0.598 -2.730 5.081 84 H CYS 11 H CYS 11 -2.638 -0.597 2.174 85 HA CYS 11 HA CYS 11 -5.371 0.214 1.550 86 HB2 CYS 11 HB2 CYS 11 -2.770 1.329 0.526 87 HB3 CYS 11 HB3 CYS 11 -4.375 1.985 0.228 88 H ARG 12 H ARG 12 -6.383 -0.895 0.056 89 HA ARG 12 HA ARG 12 -4.878 -2.270 -2.023 90 HB2 ARG 12 HB2 ARG 12 -7.854 -2.242 -1.438 91 HB3 ARG 12 HB3 ARG 12 -7.080 -3.210 -2.683 92 HG2 ARG 12 HG2 ARG 12 -6.613 -3.452 0.284 93 HG3 ARG 12 HG3 ARG 12 -7.568 -4.554 -0.705 94 HD2 ARG 12 HD2 ARG 12 -4.598 -4.020 -0.976 95 HD3 ARG 12 HD3 ARG 12 -5.334 -5.458 -0.276 96 HE ARG 12 HE ARG 12 -6.405 -5.434 -2.724 97 HH11 ARG 12 HH11 ARG 12 -3.005 -5.097 -1.713 98 HH12 ARG 12 HH12 ARG 12 -2.417 -5.828 -3.133 99 HH21 ARG 12 HH21 ARG 12 -5.509 -6.431 -4.635 100 HH22 ARG 12 HH22 ARG 12 -3.814 -6.592 -4.774 101 H PHE 13 H PHE 13 -6.497 0.607 -1.442 102 HA PHE 13 HA PHE 13 -6.251 1.359 -4.258 103 HB2 PHE 13 HB2 PHE 13 -8.264 2.371 -2.227 104 HB3 PHE 13 HB3 PHE 13 -8.035 3.043 -3.832 105 HD1 PHE 13 HD1 PHE 13 -8.657 1.684 -5.819 106 HD2 PHE 13 HD2 PHE 13 -9.580 0.454 -1.851 107 HE1 PHE 13 HE1 PHE 13 -10.348 0.127 -6.699 108 HE2 PHE 13 HE2 PHE 13 -11.268 -1.105 -2.722 109 HZ PHE 13 HZ PHE 13 -11.654 -1.270 -5.152 110 H PHE 14 H PHE 14 -5.233 3.317 -4.567 111 HA PHE 14 HA PHE 14 -4.014 4.493 -2.174 112 HB2 PHE 14 HB2 PHE 14 -3.130 4.806 -5.039 113 HB3 PHE 14 HB3 PHE 14 -2.319 5.429 -3.624 114 HD1 PHE 14 HD1 PHE 14 -2.483 2.892 -1.921 115 HD2 PHE 14 HD2 PHE 14 -1.458 3.577 -5.988 116 HE1 PHE 14 HE1 PHE 14 -1.078 0.885 -1.901 117 HE2 PHE 14 HE2 PHE 14 -0.058 1.617 -6.006 118 HZ PHE 14 HZ PHE 14 0.157 0.221 -3.947 119 H GLU 15 H GLU 15 -4.012 6.806 -1.956 120 HA GLU 15 HA GLU 15 -6.340 8.105 -2.787 121 HB2 GLU 15 HB2 GLU 15 -5.040 8.648 -0.807 122 HB3 GLU 15 HB3 GLU 15 -3.666 9.108 -1.801 123 HG2 GLU 15 HG2 GLU 15 -4.698 10.998 -0.998 124 HG3 GLU 15 HG3 GLU 15 -5.018 10.903 -2.738 125 H SER 16 H SER 16 -3.052 7.958 -3.911 126 HA SER 16 HA SER 16 -1.989 8.320 -5.802 127 HB2 SER 16 HB2 SER 16 -3.771 7.068 -6.820 128 HB3 SER 16 HB3 SER 16 -4.734 8.538 -7.092 129 HG SER 16 HG SER 16 -2.386 7.581 -8.220 130 H HIS 17 H HIS 17 -4.682 10.656 -5.775 131 HA HIS 17 HA HIS 17 -2.867 12.799 -6.706 132 HB2 HIS 17 HB2 HIS 17 -5.376 12.687 -7.327 133 HB3 HIS 17 HB3 HIS 17 -5.662 13.172 -5.651 134 HD1 HIS 17 HD1 HIS 17 -4.566 15.495 -4.929 135 HD2 HIS 17 HD2 HIS 17 -4.674 14.741 -9.002 136 HE1 HIS 17 HE1 HIS 17 -3.883 17.587 -5.991 137 HE2 HIS 17 HE2 HIS 17 -3.726 17.054 -8.450 138 H VAL 18 H VAL 18 -1.379 12.426 -5.186 139 HA VAL 18 HA VAL 18 -1.950 13.895 -2.705 140 HB VAL 18 HB VAL 18 0.075 11.661 -3.064 141 HG11 VAL 18 HG11 VAL 18 0.286 11.788 -0.621 142 HG12 VAL 18 HG12 VAL 18 -0.809 13.170 -0.629 143 HG13 VAL 18 HG13 VAL 18 0.753 13.291 -1.427 144 HG21 VAL 18 HG21 VAL 18 -2.176 10.737 -3.112 145 HG22 VAL 18 HG22 VAL 18 -2.574 11.603 -1.629 146 HG23 VAL 18 HG23 VAL 18 -1.372 10.314 -1.596 147 H ALA 19 H ALA 19 -0.646 15.618 -2.434 148 HA ALA 19 HA ALA 19 1.672 15.817 -4.189 149 HB1 ALA 19 HB1 ALA 19 -0.135 17.392 -4.735 150 HB2 ALA 19 HB2 ALA 19 1.356 18.171 -4.244 151 HB3 ALA 19 HB3 ALA 19 0.000 18.077 -3.107 152 H ARG 20 H ARG 20 3.501 16.925 -3.361 153 HA ARG 20 HA ARG 20 4.494 15.959 -1.011 154 HB2 ARG 20 HB2 ARG 20 5.873 16.705 -2.824 155 HB3 ARG 20 HB3 ARG 20 5.323 18.355 -2.611 156 HG2 ARG 20 HG2 ARG 20 7.580 18.040 -1.784 157 HG3 ARG 20 HG3 ARG 20 6.484 18.468 -0.461 158 HD2 ARG 20 HD2 ARG 20 6.422 16.118 0.183 159 HD3 ARG 20 HD3 ARG 20 7.493 15.726 -1.164 160 HE ARG 20 HE ARG 20 8.683 17.740 0.360 161 HH11 ARG 20 HH11 ARG 20 8.005 14.274 0.705 162 HH12 ARG 20 HH12 ARG 20 9.330 14.029 1.771 163 HH21 ARG 20 HH21 ARG 20 10.482 17.315 1.796 164 HH22 ARG 20 HH22 ARG 20 10.720 15.733 2.373 165 H ALA 21 H ALA 21 3.053 19.206 -1.459 166 HA ALA 21 HA ALA 21 3.833 20.019 1.176 167 HB1 ALA 21 HB1 ALA 21 1.874 21.331 -0.671 168 HB2 ALA 21 HB2 ALA 21 3.618 21.628 -0.658 169 HB3 ALA 21 HB3 ALA 21 2.635 22.054 0.750 170 H ASN 22 H ASN 22 1.110 18.407 -0.117 171 HA ASN 22 HA ASN 22 -0.666 19.070 2.086 172 HB2 ASN 22 HB2 ASN 22 -1.593 18.700 -0.170 173 HB3 ASN 22 HB3 ASN 22 -0.934 17.076 -0.192 174 HD21 ASN 22 HD21 ASN 22 -3.002 16.276 -0.608 175 HD22 ASN 22 HD22 ASN 22 -4.225 16.155 0.603 176 H VAL 23 H VAL 23 1.913 17.113 1.739 177 HA VAL 23 HA VAL 23 0.787 15.030 3.429 178 HB VAL 23 HB VAL 23 3.520 15.067 2.144 179 HG11 VAL 23 HG11 VAL 23 2.113 13.001 3.769 180 HG12 VAL 23 HG12 VAL 23 3.647 13.804 4.124 181 HG13 VAL 23 HG13 VAL 23 3.515 12.693 2.756 182 HG21 VAL 23 HG21 VAL 23 1.033 13.526 1.443 183 HG22 VAL 23 HG22 VAL 23 2.606 13.342 0.679 184 HG23 VAL 23 HG23 VAL 23 1.718 14.851 0.508 185 H LYS 24 H LYS 24 0.930 15.041 5.455 186 HA LYS 24 HA LYS 24 2.533 16.840 7.014 187 HB2 LYS 24 HB2 LYS 24 0.162 16.045 7.499 188 HB3 LYS 24 HB3 LYS 24 0.862 14.480 7.866 189 HG2 LYS 24 HG2 LYS 24 0.679 15.465 9.931 190 HG3 LYS 24 HG3 LYS 24 2.362 15.784 9.491 191 HD2 LYS 24 HD2 LYS 24 1.730 17.958 10.082 192 HD3 LYS 24 HD3 LYS 24 1.275 17.786 8.354 193 HE2 LYS 24 HE2 LYS 24 -0.964 17.450 8.769 194 HE3 LYS 24 HE3 LYS 24 -0.683 17.117 10.471 195 HZ1 LYS 24 HZ1 LYS 24 -0.384 19.822 9.213 196 HZ2 LYS 24 HZ2 LYS 24 -0.155 19.430 10.822 197 HZ3 LYS 24 HZ3 LYS 24 -1.669 19.302 10.150 198 H HIS 25 H HIS 25 2.112 13.395 6.561 199 HA HIS 25 HA HIS 25 4.693 12.765 7.824 200 HB2 HIS 25 HB2 HIS 25 3.153 12.274 9.508 201 HB3 HIS 25 HB3 HIS 25 1.942 11.724 8.379 202 HD1 HIS 25 HD1 HIS 25 4.677 10.519 10.555 203 HD2 HIS 25 HD2 HIS 25 2.386 9.063 7.408 204 HE1 HIS 25 HE1 HIS 25 4.905 8.035 10.663 205 HE2 HIS 25 HE2 HIS 25 3.176 7.213 9.060 206 H LEU 26 H LEU 26 5.845 11.132 6.880 207 HA LEU 26 HA LEU 26 4.612 9.595 4.723 208 HB2 LEU 26 HB2 LEU 26 7.226 11.086 4.643 209 HB3 LEU 26 HB3 LEU 26 6.890 9.732 3.584 210 HG LEU 26 HG LEU 26 5.130 12.165 3.667 211 HD11 LEU 26 HD11 LEU 26 7.416 11.526 1.796 212 HD12 LEU 26 HD12 LEU 26 7.423 12.809 3.009 213 HD13 LEU 26 HD13 LEU 26 6.294 12.880 1.651 214 HD21 LEU 26 HD21 LEU 26 5.550 9.973 1.658 215 HD22 LEU 26 HD22 LEU 26 4.439 11.322 1.482 216 HD23 LEU 26 HD23 LEU 26 4.157 10.115 2.738 217 H LYS 27 H LYS 27 4.842 7.524 4.965 218 HA LYS 27 HA LYS 27 7.196 6.449 6.345 219 HB2 LYS 27 HB2 LYS 27 5.138 6.266 7.847 220 HB3 LYS 27 HB3 LYS 27 4.353 5.427 6.548 221 HG2 LYS 27 HG2 LYS 27 5.169 3.878 8.268 222 HG3 LYS 27 HG3 LYS 27 5.843 3.562 6.672 223 HD2 LYS 27 HD2 LYS 27 7.630 3.354 8.253 224 HD3 LYS 27 HD3 LYS 27 7.867 4.848 7.354 225 HE2 LYS 27 HE2 LYS 27 8.333 5.246 9.697 226 HE3 LYS 27 HE3 LYS 27 6.864 6.103 9.239 227 HZ1 LYS 27 HZ1 LYS 27 6.990 3.513 10.698 228 HZ2 LYS 27 HZ2 LYS 27 5.568 4.283 10.246 229 HZ3 LYS 27 HZ3 LYS 27 6.601 4.998 11.358 230 H ILE 28 H ILE 28 8.094 4.637 5.208 231 HA ILE 28 HA ILE 28 6.691 4.168 2.697 232 HB ILE 28 HB ILE 28 9.650 3.710 3.217 233 HG12 ILE 28 HG12 ILE 28 8.148 6.037 2.071 234 HG13 ILE 28 HG13 ILE 28 9.228 6.050 3.467 235 HG21 ILE 28 HG21 ILE 28 8.463 2.489 1.268 236 HG22 ILE 28 HG22 ILE 28 9.820 3.563 0.880 237 HG23 ILE 28 HG23 ILE 28 8.191 4.156 0.666 238 HD11 ILE 28 HD11 ILE 28 11.080 5.477 1.849 239 HD12 ILE 28 HD12 ILE 28 10.294 7.061 1.667 240 HD13 ILE 28 HD13 ILE 28 9.834 5.738 0.589 241 H LEU 29 H LEU 29 5.508 2.371 2.758 242 HA LEU 29 HA LEU 29 6.411 0.120 4.327 243 HB2 LEU 29 HB2 LEU 29 4.274 1.327 4.830 244 HB3 LEU 29 HB3 LEU 29 3.714 0.944 3.229 245 HG LEU 29 HG LEU 29 4.343 -1.076 5.334 246 HD11 LEU 29 HD11 LEU 29 1.692 0.148 4.518 247 HD12 LEU 29 HD12 LEU 29 2.506 0.374 6.066 248 HD13 LEU 29 HD13 LEU 29 1.866 -1.210 5.627 249 HD21 LEU 29 HD21 LEU 29 2.940 -2.582 3.975 250 HD22 LEU 29 HD22 LEU 29 4.346 -2.001 3.081 251 HD23 LEU 29 HD23 LEU 29 2.753 -1.303 2.782 252 H ASN 30 H ASN 30 6.837 -1.766 3.204 253 HA ASN 30 HA ASN 30 6.134 -1.846 0.353 254 HB2 ASN 30 HB2 ASN 30 8.474 -1.324 0.492 255 HB3 ASN 30 HB3 ASN 30 8.774 -2.617 1.626 256 HD21 ASN 30 HD21 ASN 30 6.771 -2.838 -1.353 257 HD22 ASN 30 HD22 ASN 30 7.828 -3.944 -2.126 258 H THR 31 H THR 31 4.765 -3.480 0.028 259 HA THR 31 HA THR 31 5.036 -5.834 1.751 260 HB THR 31 HB THR 31 2.640 -4.979 0.122 261 HG1 THR 31 HG1 THR 31 3.265 -4.628 2.880 262 HG21 THR 31 HG21 THR 31 2.936 -7.064 2.296 263 HG22 THR 31 HG22 THR 31 2.740 -7.385 0.573 264 HG23 THR 31 HG23 THR 31 1.431 -6.637 1.484 265 HA PRO 32 HA PRO 32 6.816 -7.866 -1.878 266 HB2 PRO 32 HB2 PRO 32 5.573 -10.179 -0.492 267 HB3 PRO 32 HB3 PRO 32 7.209 -10.037 -1.122 268 HG2 PRO 32 HG2 PRO 32 6.716 -9.859 1.487 269 HG3 PRO 32 HG3 PRO 32 7.929 -8.810 0.744 270 HD2 PRO 32 HD2 PRO 32 5.197 -8.145 1.718 271 HD3 PRO 32 HD3 PRO 32 6.653 -7.132 1.618 272 H ASN 33 H ASN 33 3.620 -8.610 -0.663 273 HA ASN 33 HA ASN 33 2.850 -9.855 -3.196 274 HB2 ASN 33 HB2 ASN 33 1.243 -9.665 -0.654 275 HB3 ASN 33 HB3 ASN 33 0.944 -10.718 -2.034 276 HD21 ASN 33 HD21 ASN 33 2.399 -12.490 -2.383 277 HD22 ASN 33 HD22 ASN 33 3.320 -13.091 -1.058 278 H CYS 34 H CYS 34 3.032 -6.782 -2.493 279 HA CYS 34 HA CYS 34 0.502 -6.215 -3.811 280 HB2 CYS 34 HB2 CYS 34 1.494 -4.690 -1.407 281 HB3 CYS 34 HB3 CYS 34 0.172 -4.158 -2.410 282 H ALA 35 H ALA 35 3.098 -4.090 -2.523 283 HA ALA 35 HA ALA 35 4.376 -3.418 -4.886 284 HB1 ALA 35 HB1 ALA 35 3.278 -1.264 -5.382 285 HB2 ALA 35 HB2 ALA 35 2.042 -1.644 -4.178 286 HB3 ALA 35 HB3 ALA 35 2.159 -2.612 -5.651 287 H LEU 36 H LEU 36 5.085 -0.970 -4.573 288 HA LEU 36 HA LEU 36 6.049 -0.758 -1.861 289 HB2 LEU 36 HB2 LEU 36 7.215 -0.149 -4.204 290 HB3 LEU 36 HB3 LEU 36 6.358 1.355 -3.966 291 HG LEU 36 HG LEU 36 8.538 1.717 -3.181 292 HD11 LEU 36 HD11 LEU 36 6.909 1.143 -0.754 293 HD12 LEU 36 HD12 LEU 36 6.882 2.641 -1.694 294 HD13 LEU 36 HD13 LEU 36 8.351 2.148 -0.839 295 HD21 LEU 36 HD21 LEU 36 8.292 -0.847 -1.651 296 HD22 LEU 36 HD22 LEU 36 9.666 0.265 -1.559 297 HD23 LEU 36 HD23 LEU 36 9.285 -0.560 -3.073 298 H GLN 37 H GLN 37 5.033 0.621 -0.452 299 HA GLN 37 HA GLN 37 2.792 2.162 -1.488 300 HB2 GLN 37 HB2 GLN 37 2.803 0.174 0.726 301 HB3 GLN 37 HB3 GLN 37 1.503 1.330 0.476 302 HG2 GLN 37 HG2 GLN 37 0.835 0.389 -1.537 303 HG3 GLN 37 HG3 GLN 37 2.381 -0.411 -1.781 304 HE21 GLN 37 HE21 GLN 37 2.571 -1.452 0.780 305 HE22 GLN 37 HE22 GLN 37 1.451 -2.738 0.927 306 H ILE 38 H ILE 38 3.398 4.177 -0.964 307 HA ILE 38 HA ILE 38 4.827 4.549 1.535 308 HB ILE 38 HB ILE 38 4.384 6.551 -0.723 309 HG12 ILE 38 HG12 ILE 38 6.646 4.697 -0.057 310 HG13 ILE 38 HG13 ILE 38 5.618 4.596 -1.467 311 HG21 ILE 38 HG21 ILE 38 6.216 7.777 0.373 312 HG22 ILE 38 HG22 ILE 38 6.317 6.509 1.590 313 HG23 ILE 38 HG23 ILE 38 4.885 7.541 1.520 314 HD11 ILE 38 HD11 ILE 38 6.533 6.764 -2.217 315 HD12 ILE 38 HD12 ILE 38 7.716 5.461 -2.119 316 HD13 ILE 38 HD13 ILE 38 7.681 6.694 -0.851 317 H VAL 39 H VAL 39 3.935 5.544 3.172 318 HA VAL 39 HA VAL 39 1.068 6.099 2.897 319 HB VAL 39 HB VAL 39 2.666 5.595 5.426 320 HG11 VAL 39 HG11 VAL 39 0.742 6.964 5.924 321 HG12 VAL 39 HG12 VAL 39 0.499 5.361 6.565 322 HG13 VAL 39 HG13 VAL 39 -0.325 5.838 5.086 323 HG21 VAL 39 HG21 VAL 39 1.551 3.418 5.510 324 HG22 VAL 39 HG22 VAL 39 2.555 3.588 4.069 325 HG23 VAL 39 HG23 VAL 39 0.799 3.742 3.948 326 H ALA 40 H ALA 40 0.327 8.045 3.093 327 HA ALA 40 HA ALA 40 2.037 10.067 4.325 328 HB1 ALA 40 HB1 ALA 40 1.153 11.665 2.764 329 HB2 ALA 40 HB2 ALA 40 0.219 10.370 1.974 330 HB3 ALA 40 HB3 ALA 40 1.996 10.335 1.980 331 H ARG 41 H ARG 41 1.096 11.376 5.664 332 HA ARG 41 HA ARG 41 -1.759 10.947 6.159 333 HB2 ARG 41 HB2 ARG 41 0.257 10.832 7.937 334 HB3 ARG 41 HB3 ARG 41 -0.081 12.558 8.033 335 HG2 ARG 41 HG2 ARG 41 -1.940 10.269 8.651 336 HG3 ARG 41 HG3 ARG 41 -1.237 11.416 9.776 337 HD2 ARG 41 HD2 ARG 41 -2.522 13.220 8.615 338 HD3 ARG 41 HD3 ARG 41 -3.208 11.899 7.637 339 HE ARG 41 HE ARG 41 -3.852 10.974 9.937 340 HH11 ARG 41 HH11 ARG 41 -3.953 14.423 9.077 341 HH12 ARG 41 HH12 ARG 41 -5.307 14.742 10.044 342 HH21 ARG 41 HH21 ARG 41 -5.686 11.439 11.267 343 HH22 ARG 41 HH22 ARG 41 -6.312 13.017 11.331 344 H LEU 42 H LEU 42 -3.122 12.659 5.591 345 HA LEU 42 HA LEU 42 -1.722 14.789 4.201 346 HB2 LEU 42 HB2 LEU 42 -4.579 13.912 4.124 347 HB3 LEU 42 HB3 LEU 42 -3.899 15.190 3.123 348 HG LEU 42 HG LEU 42 -3.197 12.262 3.071 349 HD11 LEU 42 HD11 LEU 42 -5.279 12.767 1.982 350 HD12 LEU 42 HD12 LEU 42 -4.040 12.371 0.778 351 HD13 LEU 42 HD13 LEU 42 -4.492 14.051 1.066 352 HD21 LEU 42 HD21 LEU 42 -1.729 12.809 1.198 353 HD22 LEU 42 HD22 LEU 42 -1.195 13.539 2.711 354 HD23 LEU 42 HD23 LEU 42 -2.010 14.529 1.493 355 H LYS 43 H LYS 43 -1.741 16.836 4.611 356 HA LYS 43 HA LYS 43 -2.656 17.859 7.126 357 HB2 LYS 43 HB2 LYS 43 -1.576 19.288 4.698 358 HB3 LYS 43 HB3 LYS 43 -1.669 19.948 6.317 359 HG2 LYS 43 HG2 LYS 43 -0.078 18.310 7.094 360 HG3 LYS 43 HG3 LYS 43 -0.005 17.572 5.495 361 HD2 LYS 43 HD2 LYS 43 1.931 18.992 5.803 362 HD3 LYS 43 HD3 LYS 43 0.868 19.739 4.614 363 HE2 LYS 43 HE2 LYS 43 -0.000 21.240 6.352 364 HE3 LYS 43 HE3 LYS 43 1.046 20.455 7.529 365 HZ1 LYS 43 HZ1 LYS 43 2.975 21.227 6.244 366 HZ2 LYS 43 HZ2 LYS 43 2.010 22.513 6.739 367 HZ3 LYS 43 HZ3 LYS 43 1.963 21.988 5.152 368 H ASN 44 H ASN 44 -3.627 18.318 3.696 369 HA ASN 44 HA ASN 44 -5.635 20.244 4.447 370 HB2 ASN 44 HB2 ASN 44 -4.960 19.082 1.735 371 HB3 ASN 44 HB3 ASN 44 -6.212 20.283 2.004 372 HD21 ASN 44 HD21 ASN 44 -5.245 21.811 0.742 373 HD22 ASN 44 HD22 ASN 44 -3.794 22.629 1.156 374 H ASN 45 H ASN 45 -5.523 16.949 3.503 375 HA ASN 45 HA ASN 45 -8.432 16.743 3.298 376 HB2 ASN 45 HB2 ASN 45 -6.359 14.549 3.253 377 HB3 ASN 45 HB3 ASN 45 -8.056 14.365 2.872 378 HD21 ASN 45 HD21 ASN 45 -7.651 13.598 0.903 379 HD22 ASN 45 HD22 ASN 45 -7.045 14.509 -0.427 380 H ASN 46 H ASN 46 -5.930 16.352 5.553 381 HA ASN 46 HA ASN 46 -5.766 15.781 7.696 382 HB2 ASN 46 HB2 ASN 46 -7.661 17.384 7.859 383 HB3 ASN 46 HB3 ASN 46 -8.791 16.044 7.758 384 HD21 ASN 46 HD21 ASN 46 -9.665 16.414 9.792 385 HD22 ASN 46 HD22 ASN 46 -8.793 16.126 11.259 386 H ARG 47 H ARG 47 -6.241 13.670 5.583 387 HA ARG 47 HA ARG 47 -6.929 11.609 7.520 388 HB2 ARG 47 HB2 ARG 47 -8.072 10.370 5.954 389 HB3 ARG 47 HB3 ARG 47 -8.626 12.043 5.813 390 HG2 ARG 47 HG2 ARG 47 -7.418 12.352 3.828 391 HG3 ARG 47 HG3 ARG 47 -6.641 10.769 4.018 392 HD2 ARG 47 HD2 ARG 47 -8.866 9.690 3.957 393 HD3 ARG 47 HD3 ARG 47 -9.613 11.241 3.628 394 HE ARG 47 HE ARG 47 -7.903 10.905 1.532 395 HH11 ARG 47 HH11 ARG 47 -10.316 8.756 3.019 396 HH12 ARG 47 HH12 ARG 47 -10.718 7.999 1.553 397 HH21 ARG 47 HH21 ARG 47 -8.456 9.876 -0.413 398 HH22 ARG 47 HH22 ARG 47 -9.651 8.646 -0.477 399 H GLN 48 H GLN 48 -5.904 9.533 7.149 400 HA GLN 48 HA GLN 48 -3.288 9.914 6.042 401 HB2 GLN 48 HB2 GLN 48 -3.678 8.997 8.314 402 HB3 GLN 48 HB3 GLN 48 -4.450 7.597 7.575 403 HG2 GLN 48 HG2 GLN 48 -2.362 7.269 6.312 404 HG3 GLN 48 HG3 GLN 48 -1.677 8.548 7.283 405 HE21 GLN 48 HE21 GLN 48 -3.082 7.834 9.682 406 HE22 GLN 48 HE22 GLN 48 -2.335 6.420 10.324 407 H VAL 49 H VAL 49 -2.608 8.813 4.224 408 HA VAL 49 HA VAL 49 -4.459 6.929 2.967 409 HB VAL 49 HB VAL 49 -4.039 8.009 0.799 410 HG11 VAL 49 HG11 VAL 49 -6.130 8.479 1.986 411 HG12 VAL 49 HG12 VAL 49 -5.588 9.919 1.115 412 HG13 VAL 49 HG13 VAL 49 -5.336 9.789 2.858 413 HG21 VAL 49 HG21 VAL 49 -1.998 9.196 1.302 414 HG22 VAL 49 HG22 VAL 49 -2.851 10.234 2.444 415 HG23 VAL 49 HG23 VAL 49 -3.216 10.332 0.722 416 H CYS 50 H CYS 50 -3.414 5.990 1.017 417 HA CYS 50 HA CYS 50 -0.553 5.703 1.395 418 HB2 CYS 50 HB2 CYS 50 -2.555 3.797 0.181 419 HB3 CYS 50 HB3 CYS 50 -0.812 3.552 0.147 420 H ILE 51 H ILE 51 0.753 5.980 -0.269 421 HA ILE 51 HA ILE 51 -0.271 7.627 -2.431 422 HB ILE 51 HB ILE 51 2.385 7.247 -1.111 423 HG12 ILE 51 HG12 ILE 51 0.571 9.632 -1.328 424 HG13 ILE 51 HG13 ILE 51 0.902 8.681 0.121 425 HG21 ILE 51 HG21 ILE 51 2.907 7.462 -3.362 426 HG22 ILE 51 HG22 ILE 51 3.262 8.986 -2.514 427 HG23 ILE 51 HG23 ILE 51 1.807 8.860 -3.514 428 HD11 ILE 51 HD11 ILE 51 2.904 10.321 -1.406 429 HD12 ILE 51 HD12 ILE 51 3.219 9.444 0.096 430 HD13 ILE 51 HD13 ILE 51 2.108 10.818 0.077 431 H ASP 52 H ASP 52 -0.118 6.992 -4.549 432 HA ASP 52 HA ASP 52 0.796 4.556 -5.504 433 HB2 ASP 52 HB2 ASP 52 0.908 7.199 -7.046 434 HB3 ASP 52 HB3 ASP 52 1.068 5.561 -7.659 435 HA PRO 53 HA PRO 53 5.305 5.459 -4.905 436 HB2 PRO 53 HB2 PRO 53 6.263 3.203 -6.024 437 HB3 PRO 53 HB3 PRO 53 5.501 3.208 -4.423 438 HG2 PRO 53 HG2 PRO 53 4.237 2.585 -7.082 439 HG3 PRO 53 HG3 PRO 53 4.223 1.597 -5.608 440 HD2 PRO 53 HD2 PRO 53 2.137 3.124 -6.141 441 HD3 PRO 53 HD3 PRO 53 2.820 3.079 -4.488 442 H LYS 54 H LYS 54 3.557 5.520 -7.634 443 HA LYS 54 HA LYS 54 5.842 5.812 -9.398 444 HB2 LYS 54 HB2 LYS 54 4.237 5.673 -11.250 445 HB3 LYS 54 HB3 LYS 54 4.319 4.252 -10.218 446 HG2 LYS 54 HG2 LYS 54 2.329 5.224 -9.024 447 HG3 LYS 54 HG3 LYS 54 2.154 6.306 -10.416 448 HD2 LYS 54 HD2 LYS 54 2.431 3.393 -10.484 449 HD3 LYS 54 HD3 LYS 54 0.830 4.178 -10.583 450 HE2 LYS 54 HE2 LYS 54 1.661 5.269 -12.702 451 HE3 LYS 54 HE3 LYS 54 3.156 4.352 -12.534 452 HZ1 LYS 54 HZ1 LYS 54 0.453 3.199 -12.887 453 HZ2 LYS 54 HZ2 LYS 54 1.882 2.319 -12.698 454 HZ3 LYS 54 HZ3 LYS 54 1.652 3.281 -14.069 455 H LEU 55 H LEU 55 4.267 7.776 -7.458 456 HA LEU 55 HA LEU 55 3.562 10.021 -9.072 457 HB2 LEU 55 HB2 LEU 55 4.291 9.676 -6.225 458 HB3 LEU 55 HB3 LEU 55 3.959 11.269 -6.814 459 HG LEU 55 HG LEU 55 2.092 8.899 -6.551 460 HD11 LEU 55 HD11 LEU 55 0.855 10.342 -5.070 461 HD12 LEU 55 HD12 LEU 55 1.943 11.683 -5.450 462 HD13 LEU 55 HD13 LEU 55 2.558 10.295 -4.577 463 HD21 LEU 55 HD21 LEU 55 1.583 9.963 -8.679 464 HD22 LEU 55 HD22 LEU 55 1.522 11.541 -7.870 465 HD23 LEU 55 HD23 LEU 55 0.330 10.302 -7.489 466 H LYS 56 H LYS 56 4.590 11.683 -9.755 467 HA LYS 56 HA LYS 56 7.237 11.482 -10.547 468 HB2 LYS 56 HB2 LYS 56 5.550 12.899 -11.611 469 HB3 LYS 56 HB3 LYS 56 5.542 13.953 -10.211 470 HG2 LYS 56 HG2 LYS 56 7.912 14.486 -10.667 471 HG3 LYS 56 HG3 LYS 56 7.804 13.521 -12.145 472 HD2 LYS 56 HD2 LYS 56 6.006 14.949 -12.956 473 HD3 LYS 56 HD3 LYS 56 6.099 15.927 -11.491 474 HE2 LYS 56 HE2 LYS 56 8.440 16.497 -12.080 475 HE3 LYS 56 HE3 LYS 56 8.248 15.598 -13.587 476 HZ1 LYS 56 HZ1 LYS 56 6.436 17.113 -14.175 477 HZ2 LYS 56 HZ2 LYS 56 7.879 17.923 -13.985 478 HZ3 LYS 56 HZ3 LYS 56 6.708 18.011 -12.777 479 H TRP 57 H TRP 57 5.860 13.302 -7.829 480 HA TRP 57 HA TRP 57 8.414 14.344 -7.051 481 HB2 TRP 57 HB2 TRP 57 7.264 15.379 -5.191 482 HB3 TRP 57 HB3 TRP 57 6.320 15.593 -6.653 483 HD1 TRP 57 HD1 TRP 57 3.930 14.201 -6.778 484 HE1 TRP 57 HE1 TRP 57 2.462 13.282 -4.846 485 HE3 TRP 57 HE3 TRP 57 7.338 14.290 -2.976 486 HZ2 TRP 57 HZ2 TRP 57 2.706 12.656 -2.179 487 HZ3 TRP 57 HZ3 TRP 57 6.676 13.521 -0.786 488 HH2 TRP 57 HH2 TRP 57 4.384 12.705 -0.354 489 H ILE 58 H ILE 58 6.762 11.437 -6.489 490 HA ILE 58 HA ILE 58 7.866 10.880 -3.961 491 HB ILE 58 HB ILE 58 6.315 9.338 -5.991 492 HG12 ILE 58 HG12 ILE 58 5.125 10.746 -4.415 493 HG13 ILE 58 HG13 ILE 58 4.736 9.047 -4.159 494 HG21 ILE 58 HG21 ILE 58 7.616 8.004 -3.645 495 HG22 ILE 58 HG22 ILE 58 7.908 7.706 -5.377 496 HG23 ILE 58 HG23 ILE 58 6.326 7.350 -4.666 497 HD11 ILE 58 HD11 ILE 58 4.993 10.198 -2.043 498 HD12 ILE 58 HD12 ILE 58 6.621 10.710 -2.476 499 HD13 ILE 58 HD13 ILE 58 6.270 9.002 -2.241 500 H GLN 59 H GLN 59 8.703 10.154 -7.274 501 HA GLN 59 HA GLN 59 10.929 8.568 -6.778 502 HB2 GLN 59 HB2 GLN 59 10.044 10.269 -9.016 503 HB3 GLN 59 HB3 GLN 59 11.742 9.815 -8.983 504 HG2 GLN 59 HG2 GLN 59 10.414 8.315 -10.390 505 HG3 GLN 59 HG3 GLN 59 11.166 7.470 -9.061 506 HE21 GLN 59 HE21 GLN 59 8.931 6.743 -10.754 507 HE22 GLN 59 HE22 GLN 59 7.599 6.442 -9.697 508 H GLU 60 H GLU 60 10.565 12.051 -6.814 509 HA GLU 60 HA GLU 60 13.255 12.790 -6.368 510 HB2 GLU 60 HB2 GLU 60 10.691 14.117 -5.467 511 HB3 GLU 60 HB3 GLU 60 12.278 14.860 -5.384 512 HG2 GLU 60 HG2 GLU 60 10.903 13.975 -7.901 513 HG3 GLU 60 HG3 GLU 60 10.959 15.633 -7.296 514 H TYR 61 H TYR 61 10.568 12.175 -4.240 515 HA TYR 61 HA TYR 61 11.709 12.604 -1.748 516 HB2 TYR 61 HB2 TYR 61 9.341 12.393 -1.891 517 HB3 TYR 61 HB3 TYR 61 9.461 10.814 -2.647 518 HD1 TYR 61 HD1 TYR 61 10.487 12.469 0.551 519 HD2 TYR 61 HD2 TYR 61 8.919 9.000 -1.344 520 HE1 TYR 61 HE1 TYR 61 10.208 11.390 2.747 521 HE2 TYR 61 HE2 TYR 61 8.645 7.909 0.813 522 HH TYR 61 HH TYR 61 8.837 9.659 3.730 523 H LEU 62 H LEU 62 11.637 9.655 -3.665 524 HA LEU 62 HA LEU 62 12.850 7.975 -1.750 525 HB2 LEU 62 HB2 LEU 62 12.952 7.801 -4.754 526 HB3 LEU 62 HB3 LEU 62 13.342 6.503 -3.641 527 HG LEU 62 HG LEU 62 10.633 7.768 -3.994 528 HD11 LEU 62 HD11 LEU 62 11.668 5.070 -4.782 529 HD12 LEU 62 HD12 LEU 62 11.267 6.420 -5.855 530 HD13 LEU 62 HD13 LEU 62 9.995 5.634 -4.907 531 HD21 LEU 62 HD21 LEU 62 9.839 6.000 -2.514 532 HD22 LEU 62 HD22 LEU 62 10.992 7.072 -1.714 533 HD23 LEU 62 HD23 LEU 62 11.511 5.473 -2.255 534 H GLU 63 H GLU 63 14.109 10.029 -4.234 535 HA GLU 63 HA GLU 63 16.818 9.256 -3.719 536 HB2 GLU 63 HB2 GLU 63 15.774 11.531 -5.400 537 HB3 GLU 63 HB3 GLU 63 17.444 10.959 -5.370 538 HG2 GLU 63 HG2 GLU 63 16.639 8.730 -6.106 539 HG3 GLU 63 HG3 GLU 63 15.027 9.441 -6.213 540 H LYS 64 H LYS 64 14.772 11.110 -2.043 541 HA LYS 64 HA LYS 64 16.863 12.856 -1.028 542 HB2 LYS 64 HB2 LYS 64 13.923 12.720 -0.345 543 HB3 LYS 64 HB3 LYS 64 15.053 13.855 0.367 544 HG2 LYS 64 HG2 LYS 64 14.350 13.710 -2.561 545 HG3 LYS 64 HG3 LYS 64 13.653 14.828 -1.394 546 HD2 LYS 64 HD2 LYS 64 16.583 14.687 -2.143 547 HD3 LYS 64 HD3 LYS 64 15.427 15.866 -2.763 548 HE2 LYS 64 HE2 LYS 64 15.024 16.594 -0.404 549 HE3 LYS 64 HE3 LYS 64 16.326 15.525 0.097 550 HZ1 LYS 64 HZ1 LYS 64 17.079 17.806 -0.171 551 HZ2 LYS 64 HZ2 LYS 64 16.577 17.806 -1.768 552 HZ3 LYS 64 HZ3 LYS 64 17.863 16.832 -1.301 553 H ALA 65 H ALA 65 14.506 10.461 0.092 554 HA ALA 65 HA ALA 65 15.663 10.347 2.711 555 HB1 ALA 65 HB1 ALA 65 13.260 10.133 2.384 556 HB2 ALA 65 HB2 ALA 65 13.924 8.716 3.199 557 HB3 ALA 65 HB3 ALA 65 13.506 8.638 1.489 558 H LEU 66 H LEU 66 15.516 8.031 -0.040 559 HA LEU 66 HA LEU 66 17.111 6.186 1.479 560 HB2 LEU 66 HB2 LEU 66 15.962 6.000 -1.275 561 HB3 LEU 66 HB3 LEU 66 16.919 4.743 -0.525 562 HG LEU 66 HG LEU 66 14.749 4.087 -0.333 563 HD11 LEU 66 HD11 LEU 66 14.258 3.980 2.054 564 HD12 LEU 66 HD12 LEU 66 15.474 5.216 2.343 565 HD13 LEU 66 HD13 LEU 66 15.944 3.653 1.671 566 HD21 LEU 66 HD21 LEU 66 13.981 6.790 0.737 567 HD22 LEU 66 HD22 LEU 66 12.894 5.405 0.651 568 HD23 LEU 66 HD23 LEU 66 13.542 6.112 -0.830 569 H ASN 67 H ASN 67 17.524 8.385 -1.170 570 HA ASN 67 HA ASN 67 20.058 7.296 -1.965 571 HB2 ASN 67 HB2 ASN 67 18.679 8.450 -3.633 572 HB3 ASN 67 HB3 ASN 67 18.784 9.921 -2.699 573 HD21 ASN 67 HD21 ASN 67 20.558 11.206 -2.869 574 HD22 ASN 67 HD22 ASN 67 21.846 10.925 -3.975 575 H LYS 68 H LYS 68 19.121 10.087 -0.015 576 HA LYS 68 HA LYS 68 21.951 10.515 0.524 577 HB2 LYS 68 HB2 LYS 68 19.570 12.360 0.908 578 HB3 LYS 68 HB3 LYS 68 21.200 12.768 1.416 579 HG2 LYS 68 HG2 LYS 68 21.909 12.617 -0.889 580 HG3 LYS 68 HG3 LYS 68 20.236 12.269 -1.348 581 HD2 LYS 68 HD2 LYS 68 19.514 14.361 -0.361 582 HD3 LYS 68 HD3 LYS 68 21.174 14.714 0.121 583 HE2 LYS 68 HE2 LYS 68 20.220 14.248 -2.636 584 HE3 LYS 68 HE3 LYS 68 20.457 15.861 -1.920 585 HZ1 LYS 68 HZ1 LYS 68 22.851 15.326 -1.711 586 HZ2 LYS 68 HZ2 LYS 68 22.351 15.174 -3.315 587 HZ3 LYS 68 HZ3 LYS 68 22.612 13.814 -2.372 Start of MODEL 14 1 H LYS 1 H LYS 1 -23.148 -14.625 -2.419 2 HA LYS 1 HA LYS 1 -21.304 -15.216 -3.850 3 HB2 LYS 1 HB2 LYS 1 -20.848 -12.549 -2.491 4 HB3 LYS 1 HB3 LYS 1 -20.194 -13.015 -4.047 5 HG2 LYS 1 HG2 LYS 1 -22.459 -13.113 -4.964 6 HG3 LYS 1 HG3 LYS 1 -23.110 -12.646 -3.388 7 HD2 LYS 1 HD2 LYS 1 -21.813 -10.563 -3.478 8 HD3 LYS 1 HD3 LYS 1 -21.202 -11.021 -5.065 9 HE2 LYS 1 HE2 LYS 1 -23.492 -10.998 -5.938 10 HE3 LYS 1 HE3 LYS 1 -24.088 -10.537 -4.343 11 HZ1 LYS 1 HZ1 LYS 1 -23.864 -8.615 -5.771 12 HZ2 LYS 1 HZ2 LYS 1 -22.230 -8.959 -6.025 13 HZ3 LYS 1 HZ3 LYS 1 -22.776 -8.507 -4.492 14 HA PRO 2 HA PRO 2 -17.600 -16.501 -1.670 15 HB2 PRO 2 HB2 PRO 2 -16.154 -16.089 -4.199 16 HB3 PRO 2 HB3 PRO 2 -16.411 -17.589 -3.316 17 HG2 PRO 2 HG2 PRO 2 -17.626 -17.076 -5.666 18 HG3 PRO 2 HG3 PRO 2 -18.383 -18.043 -4.388 19 HD2 PRO 2 HD2 PRO 2 -18.877 -15.200 -5.162 20 HD3 PRO 2 HD3 PRO 2 -20.020 -16.461 -4.645 21 H VAL 3 H VAL 3 -16.156 -15.272 -0.561 22 HA VAL 3 HA VAL 3 -16.076 -12.489 -1.233 23 HB VAL 3 HB VAL 3 -16.313 -13.123 1.128 24 HG11 VAL 3 HG11 VAL 3 -15.051 -15.177 1.196 25 HG12 VAL 3 HG12 VAL 3 -14.484 -14.064 2.441 26 HG13 VAL 3 HG13 VAL 3 -13.549 -14.289 0.963 27 HG21 VAL 3 HG21 VAL 3 -15.326 -10.970 0.667 28 HG22 VAL 3 HG22 VAL 3 -13.720 -11.693 0.591 29 HG23 VAL 3 HG23 VAL 3 -14.602 -11.662 2.119 30 H SER 4 H SER 4 -14.860 -11.868 -2.845 31 HA SER 4 HA SER 4 -12.389 -13.219 -3.389 32 HB2 SER 4 HB2 SER 4 -12.404 -11.727 -5.418 33 HB3 SER 4 HB3 SER 4 -13.796 -12.800 -5.276 34 HG SER 4 HG SER 4 -13.653 -10.049 -4.638 35 H LEU 5 H LEU 5 -13.500 -10.293 -1.958 36 HA LEU 5 HA LEU 5 -10.847 -9.101 -2.065 37 HB2 LEU 5 HB2 LEU 5 -12.970 -7.748 -2.411 38 HB3 LEU 5 HB3 LEU 5 -13.359 -8.051 -0.735 39 HG LEU 5 HG LEU 5 -10.989 -6.433 -1.730 40 HD11 LEU 5 HD11 LEU 5 -13.578 -5.541 -0.503 41 HD12 LEU 5 HD12 LEU 5 -13.084 -5.352 -2.184 42 HD13 LEU 5 HD13 LEU 5 -12.215 -4.498 -0.913 43 HD21 LEU 5 HD21 LEU 5 -10.726 -5.688 0.594 44 HD22 LEU 5 HD22 LEU 5 -10.542 -7.441 0.482 45 HD23 LEU 5 HD23 LEU 5 -12.045 -6.750 1.090 46 H SER 6 H SER 6 -9.531 -10.101 -0.689 47 HA SER 6 HA SER 6 -10.522 -10.490 2.035 48 HB2 SER 6 HB2 SER 6 -8.179 -11.869 0.688 49 HB3 SER 6 HB3 SER 6 -8.786 -12.178 2.311 50 HG SER 6 HG SER 6 -9.917 -12.808 -0.166 51 H TYR 7 H TYR 7 -7.450 -9.811 0.336 52 HA TYR 7 HA TYR 7 -6.951 -7.495 1.903 53 HB2 TYR 7 HB2 TYR 7 -6.391 -8.978 3.669 54 HB3 TYR 7 HB3 TYR 7 -5.526 -10.055 2.585 55 HD1 TYR 7 HD1 TYR 7 -5.366 -6.537 3.863 56 HD2 TYR 7 HD2 TYR 7 -3.244 -9.977 2.554 57 HE1 TYR 7 HE1 TYR 7 -3.232 -5.444 4.431 58 HE2 TYR 7 HE2 TYR 7 -1.120 -8.901 3.116 59 HH TYR 7 HH TYR 7 -0.288 -6.668 3.334 60 H ARG 8 H ARG 8 -6.224 -6.247 0.302 61 HA ARG 8 HA ARG 8 -3.841 -7.189 -1.058 62 HB2 ARG 8 HB2 ARG 8 -6.036 -5.522 -2.295 63 HB3 ARG 8 HB3 ARG 8 -4.404 -5.501 -2.929 64 HG2 ARG 8 HG2 ARG 8 -5.595 -6.990 -4.279 65 HG3 ARG 8 HG3 ARG 8 -4.639 -8.010 -3.213 66 HD2 ARG 8 HD2 ARG 8 -6.811 -8.942 -3.395 67 HD3 ARG 8 HD3 ARG 8 -6.668 -8.245 -1.780 68 HE ARG 8 HE ARG 8 -7.820 -6.241 -2.896 69 HH11 ARG 8 HH11 ARG 8 -8.466 -9.640 -3.655 70 HH12 ARG 8 HH12 ARG 8 -10.052 -9.380 -4.172 71 HH21 ARG 8 HH21 ARG 8 -10.025 -5.862 -3.620 72 HH22 ARG 8 HH22 ARG 8 -10.963 -7.181 -4.174 73 H CYS 9 H CYS 9 -2.373 -6.377 0.137 74 HA CYS 9 HA CYS 9 -0.816 -4.870 0.801 75 HB2 CYS 9 HB2 CYS 9 -2.437 -2.790 -0.681 76 HB3 CYS 9 HB3 CYS 9 -0.757 -2.657 -0.182 77 HA PRO 10 HA PRO 10 -2.212 -3.073 4.676 78 HB2 PRO 10 HB2 PRO 10 -0.147 -0.998 4.054 79 HB3 PRO 10 HB3 PRO 10 -0.388 -1.913 5.546 80 HG2 PRO 10 HG2 PRO 10 1.591 -2.559 3.908 81 HG3 PRO 10 HG3 PRO 10 0.631 -3.823 4.696 82 HD2 PRO 10 HD2 PRO 10 0.539 -2.896 1.849 83 HD3 PRO 10 HD3 PRO 10 0.316 -4.513 2.536 84 H CYS 11 H CYS 11 -1.624 -1.063 1.864 85 HA CYS 11 HA CYS 11 -3.868 0.616 2.653 86 HB2 CYS 11 HB2 CYS 11 -1.521 1.251 0.869 87 HB3 CYS 11 HB3 CYS 11 -2.952 2.271 0.991 88 H ARG 12 H ARG 12 -5.588 -0.139 1.790 89 HA ARG 12 HA ARG 12 -5.664 -1.568 -0.693 90 HB2 ARG 12 HB2 ARG 12 -7.802 -0.589 1.184 91 HB3 ARG 12 HB3 ARG 12 -8.131 -1.534 -0.258 92 HG2 ARG 12 HG2 ARG 12 -7.015 -3.433 0.621 93 HG3 ARG 12 HG3 ARG 12 -6.313 -2.489 1.938 94 HD2 ARG 12 HD2 ARG 12 -9.271 -2.915 1.555 95 HD3 ARG 12 HD3 ARG 12 -8.257 -3.896 2.623 96 HE ARG 12 HE ARG 12 -7.691 -1.423 3.422 97 HH11 ARG 12 HH11 ARG 12 -10.891 -2.910 2.910 98 HH12 ARG 12 HH12 ARG 12 -11.584 -2.090 4.230 99 HH21 ARG 12 HH21 ARG 12 -8.725 -0.310 5.206 100 HH22 ARG 12 HH22 ARG 12 -10.381 -0.616 5.516 101 H PHE 13 H PHE 13 -6.261 1.697 0.376 102 HA PHE 13 HA PHE 13 -6.873 2.427 -2.401 103 HB2 PHE 13 HB2 PHE 13 -8.245 3.586 0.033 104 HB3 PHE 13 HB3 PHE 13 -8.511 4.081 -1.629 105 HD1 PHE 13 HD1 PHE 13 -9.566 2.442 -3.231 106 HD2 PHE 13 HD2 PHE 13 -9.423 1.766 0.969 107 HE1 PHE 13 HE1 PHE 13 -11.359 0.765 -3.439 108 HE2 PHE 13 HE2 PHE 13 -11.210 0.090 0.766 109 HZ PHE 13 HZ PHE 13 -12.180 -0.412 -1.442 110 H PHE 14 H PHE 14 -5.809 4.165 -3.120 111 HA PHE 14 HA PHE 14 -4.117 5.633 -1.207 112 HB2 PHE 14 HB2 PHE 14 -3.729 5.335 -4.201 113 HB3 PHE 14 HB3 PHE 14 -2.665 6.171 -3.092 114 HD1 PHE 14 HD1 PHE 14 -1.789 4.596 -1.115 115 HD2 PHE 14 HD2 PHE 14 -3.129 3.278 -4.919 116 HE1 PHE 14 HE1 PHE 14 -0.441 2.551 -0.874 117 HE2 PHE 14 HE2 PHE 14 -1.807 1.247 -4.701 118 HZ PHE 14 HZ PHE 14 -0.448 0.861 -2.667 119 H GLU 15 H GLU 15 -4.167 7.937 -1.314 120 HA GLU 15 HA GLU 15 -6.439 9.108 -2.519 121 HB2 GLU 15 HB2 GLU 15 -4.987 9.785 -0.467 122 HB3 GLU 15 HB3 GLU 15 -3.933 10.520 -1.662 123 HG2 GLU 15 HG2 GLU 15 -6.797 11.181 -1.093 124 HG3 GLU 15 HG3 GLU 15 -5.350 12.104 -0.673 125 H SER 16 H SER 16 -2.941 9.245 -2.995 126 HA SER 16 HA SER 16 -1.568 9.222 -4.781 127 HB2 SER 16 HB2 SER 16 -2.921 7.272 -5.448 128 HB3 SER 16 HB3 SER 16 -4.012 8.343 -6.320 129 HG SER 16 HG SER 16 -1.883 9.007 -7.387 130 H HIS 17 H HIS 17 -3.712 11.664 -4.414 131 HA HIS 17 HA HIS 17 -2.765 12.986 -6.874 132 HB2 HIS 17 HB2 HIS 17 -5.262 12.393 -6.734 133 HB3 HIS 17 HB3 HIS 17 -5.349 13.526 -5.395 134 HD1 HIS 17 HD1 HIS 17 -4.543 13.431 -9.083 135 HD2 HIS 17 HD2 HIS 17 -5.708 16.138 -6.165 136 HE1 HIS 17 HE1 HIS 17 -4.993 15.537 -10.296 137 HE2 HIS 17 HE2 HIS 17 -6.108 16.979 -8.562 138 H VAL 18 H VAL 18 -1.670 12.632 -4.207 139 HA VAL 18 HA VAL 18 -2.021 15.186 -2.907 140 HB VAL 18 HB VAL 18 -0.413 12.772 -1.949 141 HG11 VAL 18 HG11 VAL 18 -0.402 13.877 0.206 142 HG12 VAL 18 HG12 VAL 18 -1.214 15.275 -0.499 143 HG13 VAL 18 HG13 VAL 18 0.414 14.849 -1.024 144 HG21 VAL 18 HG21 VAL 18 -2.814 12.330 -2.091 145 HG22 VAL 18 HG22 VAL 18 -3.133 13.761 -1.114 146 HG23 VAL 18 HG23 VAL 18 -2.251 12.397 -0.422 147 H ALA 19 H ALA 19 -0.455 16.680 -2.780 148 HA ALA 19 HA ALA 19 1.966 16.284 -4.361 149 HB1 ALA 19 HB1 ALA 19 0.603 18.291 -4.810 150 HB2 ALA 19 HB2 ALA 19 2.213 18.716 -4.231 151 HB3 ALA 19 HB3 ALA 19 0.828 18.809 -3.144 152 H ARG 20 H ARG 20 4.017 16.850 -3.499 153 HA ARG 20 HA ARG 20 4.693 15.709 -1.107 154 HB2 ARG 20 HB2 ARG 20 6.285 16.033 -2.861 155 HB3 ARG 20 HB3 ARG 20 6.131 17.772 -2.772 156 HG2 ARG 20 HG2 ARG 20 8.217 16.987 -1.809 157 HG3 ARG 20 HG3 ARG 20 7.202 17.778 -0.597 158 HD2 ARG 20 HD2 ARG 20 6.473 15.593 0.190 159 HD3 ARG 20 HD3 ARG 20 7.478 14.827 -1.042 160 HE ARG 20 HE ARG 20 9.360 16.093 0.135 161 HH11 ARG 20 HH11 ARG 20 6.566 14.766 1.898 162 HH12 ARG 20 HH12 ARG 20 7.490 14.485 3.318 163 HH21 ARG 20 HH21 ARG 20 10.522 15.714 2.104 164 HH22 ARG 20 HH22 ARG 20 9.742 15.039 3.458 165 H ALA 21 H ALA 21 3.946 19.088 -1.741 166 HA ALA 21 HA ALA 21 4.821 20.063 0.809 167 HB1 ALA 21 HB1 ALA 21 3.049 21.342 -1.223 168 HB2 ALA 21 HB2 ALA 21 4.819 21.455 -1.185 169 HB3 ALA 21 HB3 ALA 21 3.845 22.154 0.124 170 H ASN 22 H ASN 22 2.004 18.454 -0.165 171 HA ASN 22 HA ASN 22 0.370 19.713 1.917 172 HB2 ASN 22 HB2 ASN 22 -0.645 19.375 -0.335 173 HB3 ASN 22 HB3 ASN 22 -0.376 17.649 -0.183 174 HD21 ASN 22 HD21 ASN 22 -2.546 17.256 -0.471 175 HD22 ASN 22 HD22 ASN 22 -3.746 17.525 0.723 176 H VAL 23 H VAL 23 2.623 17.493 1.756 177 HA VAL 23 HA VAL 23 1.308 15.565 3.524 178 HB VAL 23 HB VAL 23 4.007 15.337 2.177 179 HG11 VAL 23 HG11 VAL 23 2.586 13.475 4.005 180 HG12 VAL 23 HG12 VAL 23 4.133 14.247 4.245 181 HG13 VAL 23 HG13 VAL 23 3.963 12.993 3.001 182 HG21 VAL 23 HG21 VAL 23 1.412 13.889 1.668 183 HG22 VAL 23 HG22 VAL 23 2.944 13.563 0.862 184 HG23 VAL 23 HG23 VAL 23 2.133 15.104 0.616 185 H LYS 24 H LYS 24 1.564 15.802 5.587 186 HA LYS 24 HA LYS 24 3.788 17.317 6.676 187 HB2 LYS 24 HB2 LYS 24 2.550 16.861 8.915 188 HB3 LYS 24 HB3 LYS 24 1.835 18.004 7.776 189 HG2 LYS 24 HG2 LYS 24 0.359 16.232 6.998 190 HG3 LYS 24 HG3 LYS 24 1.158 15.164 8.154 191 HD2 LYS 24 HD2 LYS 24 -1.076 16.162 8.712 192 HD3 LYS 24 HD3 LYS 24 0.159 16.225 10.005 193 HE2 LYS 24 HE2 LYS 24 0.538 18.547 9.399 194 HE3 LYS 24 HE3 LYS 24 -0.622 18.426 8.087 195 HZ1 LYS 24 HZ1 LYS 24 -1.624 19.474 10.067 196 HZ2 LYS 24 HZ2 LYS 24 -1.209 18.150 11.011 197 HZ3 LYS 24 HZ3 LYS 24 -2.357 17.983 9.812 198 H HIS 25 H HIS 25 2.299 14.152 7.285 199 HA HIS 25 HA HIS 25 4.873 13.141 8.287 200 HB2 HIS 25 HB2 HIS 25 3.155 12.800 9.965 201 HB3 HIS 25 HB3 HIS 25 2.024 12.159 8.807 202 HD1 HIS 25 HD1 HIS 25 4.659 11.142 11.160 203 HD2 HIS 25 HD2 HIS 25 2.636 9.501 7.925 204 HE1 HIS 25 HE1 HIS 25 5.048 8.673 11.308 205 HE2 HIS 25 HE2 HIS 25 3.409 7.764 9.638 206 H LEU 26 H LEU 26 5.845 11.440 7.265 207 HA LEU 26 HA LEU 26 4.473 10.223 4.979 208 HB2 LEU 26 HB2 LEU 26 5.892 12.115 4.214 209 HB3 LEU 26 HB3 LEU 26 7.238 11.423 5.064 210 HG LEU 26 HG LEU 26 7.390 9.620 3.443 211 HD11 LEU 26 HD11 LEU 26 5.010 9.343 2.898 212 HD12 LEU 26 HD12 LEU 26 6.022 9.634 1.481 213 HD13 LEU 26 HD13 LEU 26 5.023 10.946 2.122 214 HD21 LEU 26 HD21 LEU 26 7.948 10.942 1.509 215 HD22 LEU 26 HD22 LEU 26 8.472 11.756 2.999 216 HD23 LEU 26 HD23 LEU 26 6.993 12.268 2.164 217 H LYS 27 H LYS 27 4.370 8.069 5.589 218 HA LYS 27 HA LYS 27 6.656 6.893 6.936 219 HB2 LYS 27 HB2 LYS 27 4.443 6.969 8.161 220 HB3 LYS 27 HB3 LYS 27 3.780 6.015 6.851 221 HG2 LYS 27 HG2 LYS 27 4.321 4.654 8.767 222 HG3 LYS 27 HG3 LYS 27 5.279 4.212 7.348 223 HD2 LYS 27 HD2 LYS 27 7.147 5.526 8.183 224 HD3 LYS 27 HD3 LYS 27 6.200 5.969 9.614 225 HE2 LYS 27 HE2 LYS 27 6.013 3.686 10.161 226 HE3 LYS 27 HE3 LYS 27 6.932 3.272 8.698 227 HZ1 LYS 27 HZ1 LYS 27 8.408 3.283 10.680 228 HZ2 LYS 27 HZ2 LYS 27 7.991 4.890 10.977 229 HZ3 LYS 27 HZ3 LYS 27 8.848 4.479 9.592 230 H ILE 28 H ILE 28 7.792 5.606 5.560 231 HA ILE 28 HA ILE 28 6.379 4.581 3.210 232 HB ILE 28 HB ILE 28 9.307 5.333 3.465 233 HG12 ILE 28 HG12 ILE 28 6.934 6.750 2.347 234 HG13 ILE 28 HG13 ILE 28 7.936 7.258 3.699 235 HG21 ILE 28 HG21 ILE 28 8.940 3.671 1.653 236 HG22 ILE 28 HG22 ILE 28 9.248 5.343 1.066 237 HG23 ILE 28 HG23 ILE 28 7.610 4.724 1.068 238 HD11 ILE 28 HD11 ILE 28 9.795 7.430 2.128 239 HD12 ILE 28 HD12 ILE 28 8.436 8.538 1.812 240 HD13 ILE 28 HD13 ILE 28 8.620 7.090 0.824 241 H LEU 29 H LEU 29 5.928 2.491 3.485 242 HA LEU 29 HA LEU 29 8.025 0.773 4.565 243 HB2 LEU 29 HB2 LEU 29 6.274 -0.774 5.434 244 HB3 LEU 29 HB3 LEU 29 6.298 0.777 6.230 245 HG LEU 29 HG LEU 29 4.257 0.033 4.114 246 HD11 LEU 29 HD11 LEU 29 2.742 -0.401 5.993 247 HD12 LEU 29 HD12 LEU 29 4.068 -0.130 7.123 248 HD13 LEU 29 HD13 LEU 29 4.116 -1.504 6.022 249 HD21 LEU 29 HD21 LEU 29 2.973 1.863 5.117 250 HD22 LEU 29 HD22 LEU 29 4.533 2.447 4.537 251 HD23 LEU 29 HD23 LEU 29 4.282 2.165 6.258 252 H ASN 30 H ASN 30 8.353 -1.259 3.607 253 HA ASN 30 HA ASN 30 7.276 -1.416 0.859 254 HB2 ASN 30 HB2 ASN 30 9.738 -1.282 1.050 255 HB3 ASN 30 HB3 ASN 30 9.733 -2.720 2.050 256 HD21 ASN 30 HD21 ASN 30 7.719 -2.281 -0.852 257 HD22 ASN 30 HD22 ASN 30 8.528 -3.485 -1.776 258 H THR 31 H THR 31 5.750 -2.895 0.464 259 HA THR 31 HA THR 31 5.508 -5.118 2.338 260 HB THR 31 HB THR 31 3.580 -4.285 0.193 261 HG1 THR 31 HG1 THR 31 3.883 -3.431 2.893 262 HG21 THR 31 HG21 THR 31 3.241 -5.906 2.719 263 HG22 THR 31 HG22 THR 31 3.278 -6.545 1.076 264 HG23 THR 31 HG23 THR 31 1.957 -5.491 1.582 265 HA PRO 32 HA PRO 32 7.666 -7.763 -0.665 266 HB2 PRO 32 HB2 PRO 32 5.932 -9.605 0.902 267 HB3 PRO 32 HB3 PRO 32 7.597 -9.862 0.403 268 HG2 PRO 32 HG2 PRO 32 7.139 -9.115 2.869 269 HG3 PRO 32 HG3 PRO 32 8.394 -8.242 1.963 270 HD2 PRO 32 HD2 PRO 32 5.598 -7.378 2.627 271 HD3 PRO 32 HD3 PRO 32 7.096 -6.422 2.575 272 H ASN 33 H ASN 33 4.234 -8.094 0.067 273 HA ASN 33 HA ASN 33 3.843 -9.634 -2.355 274 HB2 ASN 33 HB2 ASN 33 1.818 -8.909 -0.245 275 HB3 ASN 33 HB3 ASN 33 1.573 -10.041 -1.567 276 HD21 ASN 33 HD21 ASN 33 2.838 -11.979 -1.564 277 HD22 ASN 33 HD22 ASN 33 3.388 -12.635 -0.057 278 H CYS 34 H CYS 34 4.161 -6.501 -2.015 279 HA CYS 34 HA CYS 34 2.196 -5.994 -4.110 280 HB2 CYS 34 HB2 CYS 34 2.534 -4.175 -1.718 281 HB3 CYS 34 HB3 CYS 34 1.571 -3.821 -3.138 282 H ALA 35 H ALA 35 4.215 -3.728 -2.288 283 HA ALA 35 HA ALA 35 6.305 -3.240 -3.938 284 HB1 ALA 35 HB1 ALA 35 5.447 -1.230 -5.168 285 HB2 ALA 35 HB2 ALA 35 3.821 -1.615 -4.601 286 HB3 ALA 35 HB3 ALA 35 4.654 -2.709 -5.703 287 H LEU 36 H LEU 36 6.192 -0.347 -3.617 288 HA LEU 36 HA LEU 36 6.385 -0.203 -0.796 289 HB2 LEU 36 HB2 LEU 36 6.772 1.801 -2.964 290 HB3 LEU 36 HB3 LEU 36 6.548 2.356 -1.324 291 HG LEU 36 HG LEU 36 8.883 2.255 -1.928 292 HD11 LEU 36 HD11 LEU 36 8.118 0.240 0.151 293 HD12 LEU 36 HD12 LEU 36 8.281 1.978 0.374 294 HD13 LEU 36 HD13 LEU 36 9.701 1.002 -0.002 295 HD21 LEU 36 HD21 LEU 36 8.408 -0.686 -2.211 296 HD22 LEU 36 HD22 LEU 36 10.010 0.059 -2.202 297 HD23 LEU 36 HD23 LEU 36 8.871 0.405 -3.519 298 H GLN 37 H GLN 37 5.304 0.783 0.592 299 HA GLN 37 HA GLN 37 2.555 1.641 -0.013 300 HB2 GLN 37 HB2 GLN 37 3.656 -0.251 1.921 301 HB3 GLN 37 HB3 GLN 37 2.591 0.925 2.659 302 HG2 GLN 37 HG2 GLN 37 1.570 -1.236 1.975 303 HG3 GLN 37 HG3 GLN 37 0.762 0.199 1.349 304 HE21 GLN 37 HE21 GLN 37 2.808 -2.476 0.573 305 HE22 GLN 37 HE22 GLN 37 2.566 -2.377 -1.155 306 H ILE 38 H ILE 38 2.409 3.719 0.309 307 HA ILE 38 HA ILE 38 4.227 4.841 2.271 308 HB ILE 38 HB ILE 38 3.283 6.112 -0.316 309 HG12 ILE 38 HG12 ILE 38 5.868 4.798 0.494 310 HG13 ILE 38 HG13 ILE 38 4.797 4.337 -0.803 311 HG21 ILE 38 HG21 ILE 38 4.977 7.812 0.245 312 HG22 ILE 38 HG22 ILE 38 5.259 6.944 1.754 313 HG23 ILE 38 HG23 ILE 38 3.706 7.735 1.489 314 HD11 ILE 38 HD11 ILE 38 5.359 6.421 -1.996 315 HD12 ILE 38 HD12 ILE 38 6.764 5.393 -1.707 316 HD13 ILE 38 HD13 ILE 38 6.495 6.813 -0.695 317 H VAL 39 H VAL 39 3.273 5.813 3.883 318 HA VAL 39 HA VAL 39 0.455 6.564 3.563 319 HB VAL 39 HB VAL 39 1.943 5.904 6.128 320 HG11 VAL 39 HG11 VAL 39 0.176 7.482 6.538 321 HG12 VAL 39 HG12 VAL 39 -0.257 5.907 7.194 322 HG13 VAL 39 HG13 VAL 39 -0.982 6.456 5.681 323 HG21 VAL 39 HG21 VAL 39 0.594 3.859 6.199 324 HG22 VAL 39 HG22 VAL 39 1.635 3.909 4.774 325 HG23 VAL 39 HG23 VAL 39 -0.087 4.263 4.619 326 H ALA 40 H ALA 40 -0.047 8.655 3.796 327 HA ALA 40 HA ALA 40 1.961 10.403 4.985 328 HB1 ALA 40 HB1 ALA 40 1.636 12.037 3.198 329 HB2 ALA 40 HB2 ALA 40 0.519 10.916 2.403 330 HB3 ALA 40 HB3 ALA 40 2.253 10.525 2.596 331 H ARG 41 H ARG 41 1.156 12.394 5.591 332 HA ARG 41 HA ARG 41 -1.674 12.354 6.357 333 HB2 ARG 41 HB2 ARG 41 0.761 12.921 7.806 334 HB3 ARG 41 HB3 ARG 41 -0.416 14.208 7.898 335 HG2 ARG 41 HG2 ARG 41 -1.121 11.374 8.589 336 HG3 ARG 41 HG3 ARG 41 -0.548 12.589 9.744 337 HD2 ARG 41 HD2 ARG 41 -2.329 14.078 9.083 338 HD3 ARG 41 HD3 ARG 41 -2.905 12.835 7.960 339 HE ARG 41 HE ARG 41 -3.049 11.437 10.143 340 HH11 ARG 41 HH11 ARG 41 -3.852 14.927 9.999 341 HH12 ARG 41 HH12 ARG 41 -5.148 14.745 11.065 342 HH21 ARG 41 HH21 ARG 41 -4.829 11.293 11.573 343 HH22 ARG 41 HH22 ARG 41 -5.736 12.681 11.984 344 H LEU 42 H LEU 42 -2.874 14.010 5.811 345 HA LEU 42 HA LEU 42 -1.735 15.898 3.923 346 HB2 LEU 42 HB2 LEU 42 -4.562 15.395 4.779 347 HB3 LEU 42 HB3 LEU 42 -4.185 16.525 3.520 348 HG LEU 42 HG LEU 42 -3.800 13.547 3.488 349 HD11 LEU 42 HD11 LEU 42 -6.052 14.300 3.117 350 HD12 LEU 42 HD12 LEU 42 -5.350 13.689 1.613 351 HD13 LEU 42 HD13 LEU 42 -5.480 15.425 1.882 352 HD21 LEU 42 HD21 LEU 42 -2.988 13.843 1.195 353 HD22 LEU 42 HD22 LEU 42 -1.898 14.566 2.379 354 HD23 LEU 42 HD23 LEU 42 -2.979 15.588 1.435 355 H LYS 43 H LYS 43 -1.486 17.955 4.200 356 HA LYS 43 HA LYS 43 -1.823 19.137 6.842 357 HB2 LYS 43 HB2 LYS 43 -0.645 20.291 4.319 358 HB3 LYS 43 HB3 LYS 43 -0.608 21.053 5.902 359 HG2 LYS 43 HG2 LYS 43 0.724 19.264 6.779 360 HG3 LYS 43 HG3 LYS 43 0.637 18.389 5.251 361 HD2 LYS 43 HD2 LYS 43 2.782 19.509 5.482 362 HD3 LYS 43 HD3 LYS 43 1.863 20.238 4.170 363 HE2 LYS 43 HE2 LYS 43 1.233 22.082 5.602 364 HE3 LYS 43 HE3 LYS 43 2.041 21.332 6.978 365 HZ1 LYS 43 HZ1 LYS 43 4.133 21.547 5.827 366 HZ2 LYS 43 HZ2 LYS 43 3.413 23.049 5.957 367 HZ3 LYS 43 HZ3 LYS 43 3.391 22.221 4.486 368 H ASN 44 H ASN 44 -3.147 19.735 3.600 369 HA ASN 44 HA ASN 44 -4.609 22.015 4.620 370 HB2 ASN 44 HB2 ASN 44 -4.557 20.779 1.874 371 HB3 ASN 44 HB3 ASN 44 -5.583 22.151 2.280 372 HD21 ASN 44 HD21 ASN 44 -4.531 23.491 0.821 373 HD22 ASN 44 HD22 ASN 44 -2.949 24.099 1.104 374 H ASN 45 H ASN 45 -5.480 18.867 3.461 375 HA ASN 45 HA ASN 45 -8.280 19.243 4.213 376 HB2 ASN 45 HB2 ASN 45 -7.803 17.950 2.198 377 HB3 ASN 45 HB3 ASN 45 -6.750 16.880 3.103 378 HD21 ASN 45 HD21 ASN 45 -7.922 15.133 2.359 379 HD22 ASN 45 HD22 ASN 45 -9.453 14.718 3.017 380 H ASN 46 H ASN 46 -5.424 17.870 5.320 381 HA ASN 46 HA ASN 46 -4.672 16.841 7.100 382 HB2 ASN 46 HB2 ASN 46 -5.235 19.027 8.004 383 HB3 ASN 46 HB3 ASN 46 -6.780 18.365 8.559 384 HD21 ASN 46 HD21 ASN 46 -6.346 18.702 10.723 385 HD22 ASN 46 HD22 ASN 46 -5.159 17.790 11.582 386 H ARG 47 H ARG 47 -5.418 14.868 6.225 387 HA ARG 47 HA ARG 47 -6.543 13.343 8.347 388 HB2 ARG 47 HB2 ARG 47 -7.929 12.098 6.928 389 HB3 ARG 47 HB3 ARG 47 -8.322 13.827 6.725 390 HG2 ARG 47 HG2 ARG 47 -7.248 13.896 4.662 391 HG3 ARG 47 HG3 ARG 47 -6.579 12.265 4.889 392 HD2 ARG 47 HD2 ARG 47 -8.884 11.349 4.852 393 HD3 ARG 47 HD3 ARG 47 -9.517 12.966 4.576 394 HE ARG 47 HE ARG 47 -7.772 12.573 2.513 395 HH11 ARG 47 HH11 ARG 47 -10.587 10.805 3.708 396 HH12 ARG 47 HH12 ARG 47 -11.005 10.157 2.203 397 HH21 ARG 47 HH21 ARG 47 -8.346 11.670 0.416 398 HH22 ARG 47 HH22 ARG 47 -9.719 10.671 0.297 399 H GLN 48 H GLN 48 -5.959 10.953 7.780 400 HA GLN 48 HA GLN 48 -3.320 11.033 6.660 401 HB2 GLN 48 HB2 GLN 48 -3.735 10.073 8.904 402 HB3 GLN 48 HB3 GLN 48 -4.801 8.887 8.166 403 HG2 GLN 48 HG2 GLN 48 -2.942 8.131 6.808 404 HG3 GLN 48 HG3 GLN 48 -1.930 9.291 7.655 405 HE21 GLN 48 HE21 GLN 48 -1.257 8.905 9.770 406 HE22 GLN 48 HE22 GLN 48 -1.526 7.406 10.547 407 H VAL 49 H VAL 49 -2.798 9.925 4.814 408 HA VAL 49 HA VAL 49 -4.843 8.300 3.518 409 HB VAL 49 HB VAL 49 -4.166 9.308 1.340 410 HG11 VAL 49 HG11 VAL 49 -6.308 9.920 2.389 411 HG12 VAL 49 HG12 VAL 49 -5.623 11.291 1.527 412 HG13 VAL 49 HG13 VAL 49 -5.503 11.206 3.292 413 HG21 VAL 49 HG21 VAL 49 -2.113 10.368 1.963 414 HG22 VAL 49 HG22 VAL 49 -2.962 11.456 3.069 415 HG23 VAL 49 HG23 VAL 49 -3.233 11.575 1.328 416 H CYS 50 H CYS 50 -3.953 7.091 1.746 417 HA CYS 50 HA CYS 50 -1.154 6.489 2.188 418 HB2 CYS 50 HB2 CYS 50 -3.319 4.834 0.873 419 HB3 CYS 50 HB3 CYS 50 -1.621 4.375 0.947 420 H ILE 51 H ILE 51 0.253 6.646 0.633 421 HA ILE 51 HA ILE 51 -0.505 8.198 -1.700 422 HB ILE 51 HB ILE 51 2.092 7.753 -0.243 423 HG12 ILE 51 HG12 ILE 51 0.586 9.359 0.868 424 HG13 ILE 51 HG13 ILE 51 2.034 10.127 0.214 425 HG21 ILE 51 HG21 ILE 51 2.610 7.875 -2.546 426 HG22 ILE 51 HG22 ILE 51 3.045 9.400 -1.731 427 HG23 ILE 51 HG23 ILE 51 1.568 9.319 -2.686 428 HD11 ILE 51 HD11 ILE 51 0.832 10.914 -1.626 429 HD12 ILE 51 HD12 ILE 51 0.115 11.465 -0.108 430 HD13 ILE 51 HD13 ILE 51 -0.666 10.156 -1.032 431 H ASP 52 H ASP 52 -0.239 7.384 -3.684 432 HA ASP 52 HA ASP 52 0.341 4.640 -4.110 433 HB2 ASP 52 HB2 ASP 52 -1.231 5.684 -5.523 434 HB3 ASP 52 HB3 ASP 52 -0.116 6.966 -6.000 435 HA PRO 53 HA PRO 53 4.736 5.036 -4.271 436 HB2 PRO 53 HB2 PRO 53 5.345 2.622 -5.232 437 HB3 PRO 53 HB3 PRO 53 4.679 2.834 -3.604 438 HG2 PRO 53 HG2 PRO 53 3.244 2.104 -6.139 439 HG3 PRO 53 HG3 PRO 53 3.152 1.311 -4.557 440 HD2 PRO 53 HD2 PRO 53 1.299 3.064 -5.355 441 HD3 PRO 53 HD3 PRO 53 1.824 2.985 -3.659 442 H LYS 54 H LYS 54 2.816 4.983 -7.067 443 HA LYS 54 HA LYS 54 5.178 4.982 -8.761 444 HB2 LYS 54 HB2 LYS 54 2.274 4.708 -9.484 445 HB3 LYS 54 HB3 LYS 54 3.575 4.784 -10.671 446 HG2 LYS 54 HG2 LYS 54 4.560 2.765 -9.644 447 HG3 LYS 54 HG3 LYS 54 3.190 2.689 -8.542 448 HD2 LYS 54 HD2 LYS 54 3.030 2.547 -11.545 449 HD3 LYS 54 HD3 LYS 54 2.979 1.158 -10.463 450 HE2 LYS 54 HE2 LYS 54 0.924 2.033 -9.444 451 HE3 LYS 54 HE3 LYS 54 0.984 3.430 -10.519 452 HZ1 LYS 54 HZ1 LYS 54 -0.535 1.735 -11.324 453 HZ2 LYS 54 HZ2 LYS 54 0.695 0.601 -11.391 454 HZ3 LYS 54 HZ3 LYS 54 0.747 1.959 -12.399 455 H LEU 55 H LEU 55 3.446 7.156 -7.110 456 HA LEU 55 HA LEU 55 3.109 9.390 -8.820 457 HB2 LEU 55 HB2 LEU 55 3.831 9.111 -5.963 458 HB3 LEU 55 HB3 LEU 55 3.637 10.693 -6.647 459 HG LEU 55 HG LEU 55 1.534 8.527 -6.335 460 HD11 LEU 55 HD11 LEU 55 0.492 10.067 -4.806 461 HD12 LEU 55 HD12 LEU 55 1.712 11.297 -5.197 462 HD13 LEU 55 HD13 LEU 55 2.200 9.837 -4.371 463 HD21 LEU 55 HD21 LEU 55 1.149 9.680 -8.440 464 HD22 LEU 55 HD22 LEU 55 1.282 11.242 -7.610 465 HD23 LEU 55 HD23 LEU 55 -0.050 10.151 -7.242 466 H LYS 56 H LYS 56 4.305 10.962 -9.540 467 HA LYS 56 HA LYS 56 6.974 10.271 -10.119 468 HB2 LYS 56 HB2 LYS 56 5.438 12.799 -10.719 469 HB3 LYS 56 HB3 LYS 56 7.119 12.605 -11.144 470 HG2 LYS 56 HG2 LYS 56 5.770 12.158 -13.079 471 HG3 LYS 56 HG3 LYS 56 6.511 10.656 -12.558 472 HD2 LYS 56 HD2 LYS 56 4.220 10.256 -13.222 473 HD3 LYS 56 HD3 LYS 56 4.362 10.028 -11.479 474 HE2 LYS 56 HE2 LYS 56 2.322 11.267 -12.083 475 HE3 LYS 56 HE3 LYS 56 3.404 12.244 -11.099 476 HZ1 LYS 56 HZ1 LYS 56 3.132 12.397 -14.050 477 HZ2 LYS 56 HZ2 LYS 56 4.150 13.354 -13.119 478 HZ3 LYS 56 HZ3 LYS 56 2.479 13.484 -12.936 479 H TRP 57 H TRP 57 5.597 12.595 -7.839 480 HA TRP 57 HA TRP 57 8.157 13.619 -7.132 481 HB2 TRP 57 HB2 TRP 57 7.133 14.640 -5.187 482 HB3 TRP 57 HB3 TRP 57 6.128 14.943 -6.577 483 HD1 TRP 57 HD1 TRP 57 3.697 13.618 -6.581 484 HE1 TRP 57 HE1 TRP 57 2.270 12.849 -4.563 485 HE3 TRP 57 HE3 TRP 57 7.275 13.548 -2.934 486 HZ2 TRP 57 HZ2 TRP 57 2.572 12.275 -1.935 487 HZ3 TRP 57 HZ3 TRP 57 6.625 12.841 -0.686 488 HH2 TRP 57 HH2 TRP 57 4.297 12.209 -0.175 489 H ILE 58 H ILE 58 6.323 10.918 -6.192 490 HA ILE 58 HA ILE 58 7.743 10.196 -3.865 491 HB ILE 58 HB ILE 58 5.956 8.756 -5.793 492 HG12 ILE 58 HG12 ILE 58 4.908 10.275 -4.226 493 HG13 ILE 58 HG13 ILE 58 4.452 8.606 -3.880 494 HG21 ILE 58 HG21 ILE 58 7.281 7.432 -3.453 495 HG22 ILE 58 HG22 ILE 58 7.504 7.073 -5.182 496 HG23 ILE 58 HG23 ILE 58 5.933 6.808 -4.419 497 HD11 ILE 58 HD11 ILE 58 4.873 9.877 -1.855 498 HD12 ILE 58 HD12 ILE 58 6.516 10.213 -2.374 499 HD13 ILE 58 HD13 ILE 58 6.027 8.557 -2.026 500 H GLN 59 H GLN 59 8.011 9.185 -7.255 501 HA GLN 59 HA GLN 59 10.173 7.468 -6.946 502 HB2 GLN 59 HB2 GLN 59 9.426 9.194 -9.284 503 HB3 GLN 59 HB3 GLN 59 10.687 7.967 -9.337 504 HG2 GLN 59 HG2 GLN 59 7.784 7.458 -8.708 505 HG3 GLN 59 HG3 GLN 59 8.599 7.156 -10.244 506 HE21 GLN 59 HE21 GLN 59 7.256 5.302 -8.359 507 HE22 GLN 59 HE22 GLN 59 8.425 4.099 -8.014 508 H GLU 60 H GLU 60 10.170 10.947 -7.596 509 HA GLU 60 HA GLU 60 12.976 11.238 -7.561 510 HB2 GLU 60 HB2 GLU 60 10.725 13.190 -7.251 511 HB3 GLU 60 HB3 GLU 60 12.399 13.693 -7.083 512 HG2 GLU 60 HG2 GLU 60 11.273 12.302 -9.490 513 HG3 GLU 60 HG3 GLU 60 11.496 14.052 -9.351 514 H TYR 61 H TYR 61 10.567 11.377 -5.057 515 HA TYR 61 HA TYR 61 12.331 12.318 -3.082 516 HB2 TYR 61 HB2 TYR 61 9.970 12.574 -2.682 517 HB3 TYR 61 HB3 TYR 61 9.695 10.846 -2.883 518 HD1 TYR 61 HD1 TYR 61 11.353 13.344 -0.678 519 HD2 TYR 61 HD2 TYR 61 9.797 9.397 -1.065 520 HE1 TYR 61 HE1 TYR 61 11.705 12.947 1.732 521 HE2 TYR 61 HE2 TYR 61 10.157 8.984 1.200 522 HH TYR 61 HH TYR 61 10.889 11.469 3.480 523 H LEU 62 H LEU 62 11.466 9.070 -4.162 524 HA LEU 62 HA LEU 62 12.679 7.736 -2.008 525 HB2 LEU 62 HB2 LEU 62 12.143 6.717 -4.781 526 HB3 LEU 62 HB3 LEU 62 12.596 5.722 -3.410 527 HG LEU 62 HG LEU 62 10.056 7.299 -3.732 528 HD11 LEU 62 HD11 LEU 62 10.575 4.347 -3.626 529 HD12 LEU 62 HD12 LEU 62 10.141 5.295 -5.050 530 HD13 LEU 62 HD13 LEU 62 8.987 5.120 -3.721 531 HD21 LEU 62 HD21 LEU 62 9.380 6.327 -1.589 532 HD22 LEU 62 HD22 LEU 62 10.806 7.362 -1.434 533 HD23 LEU 62 HD23 LEU 62 10.989 5.610 -1.416 534 H GLU 63 H GLU 63 13.915 8.253 -5.261 535 HA GLU 63 HA GLU 63 16.416 7.078 -4.575 536 HB2 GLU 63 HB2 GLU 63 17.233 7.936 -6.766 537 HB3 GLU 63 HB3 GLU 63 15.790 6.940 -6.854 538 HG2 GLU 63 HG2 GLU 63 14.411 8.854 -7.177 539 HG3 GLU 63 HG3 GLU 63 15.759 9.942 -6.877 540 H LYS 64 H LYS 64 15.226 10.236 -4.124 541 HA LYS 64 HA LYS 64 17.915 11.253 -3.808 542 HB2 LYS 64 HB2 LYS 64 15.253 12.597 -3.842 543 HB3 LYS 64 HB3 LYS 64 16.598 13.389 -3.055 544 HG2 LYS 64 HG2 LYS 64 16.345 14.235 -5.310 545 HG3 LYS 64 HG3 LYS 64 17.852 13.344 -5.190 546 HD2 LYS 64 HD2 LYS 64 16.822 11.452 -6.298 547 HD3 LYS 64 HD3 LYS 64 15.276 12.319 -6.411 548 HE2 LYS 64 HE2 LYS 64 16.472 14.084 -7.731 549 HE3 LYS 64 HE3 LYS 64 17.909 13.076 -7.688 550 HZ1 LYS 64 HZ1 LYS 64 16.769 12.776 -9.759 551 HZ2 LYS 64 HZ2 LYS 64 15.322 12.383 -9.010 552 HZ3 LYS 64 HZ3 LYS 64 16.635 11.344 -8.907 553 H ALA 65 H ALA 65 15.174 10.395 -1.723 554 HA ALA 65 HA ALA 65 16.687 11.419 0.550 555 HB1 ALA 65 HB1 ALA 65 14.315 12.006 0.366 556 HB2 ALA 65 HB2 ALA 65 14.681 11.124 1.851 557 HB3 ALA 65 HB3 ALA 65 13.901 10.298 0.502 558 H LEU 66 H LEU 66 15.310 8.321 -0.539 559 HA LEU 66 HA LEU 66 16.238 7.013 1.838 560 HB2 LEU 66 HB2 LEU 66 15.002 5.928 -0.683 561 HB3 LEU 66 HB3 LEU 66 15.645 4.862 0.544 562 HG LEU 66 HG LEU 66 14.007 5.766 2.170 563 HD11 LEU 66 HD11 LEU 66 12.892 7.300 -0.160 564 HD12 LEU 66 HD12 LEU 66 13.669 7.984 1.267 565 HD13 LEU 66 HD13 LEU 66 12.134 7.124 1.421 566 HD21 LEU 66 HD21 LEU 66 12.028 4.708 1.198 567 HD22 LEU 66 HD22 LEU 66 13.487 3.758 0.926 568 HD23 LEU 66 HD23 LEU 66 12.806 4.718 -0.385 569 H ASN 67 H ASN 67 17.565 7.651 -1.209 570 HA ASN 67 HA ASN 67 19.715 5.726 -0.868 571 HB2 ASN 67 HB2 ASN 67 19.223 7.806 -3.008 572 HB3 ASN 67 HB3 ASN 67 20.619 6.743 -2.987 573 HD21 ASN 67 HD21 ASN 67 20.072 5.839 -4.940 574 HD22 ASN 67 HD22 ASN 67 18.747 4.750 -5.129 575 H LYS 68 H LYS 68 19.016 8.556 0.512 576 HA LYS 68 HA LYS 68 21.782 9.449 0.536 577 HB2 LYS 68 HB2 LYS 68 20.087 11.108 -0.120 578 HB3 LYS 68 HB3 LYS 68 19.278 10.881 1.419 579 HG2 LYS 68 HG2 LYS 68 21.197 11.756 2.605 580 HG3 LYS 68 HG3 LYS 68 22.088 11.895 1.092 581 HD2 LYS 68 HD2 LYS 68 19.532 13.348 1.732 582 HD3 LYS 68 HD3 LYS 68 21.150 14.044 1.864 583 HE2 LYS 68 HE2 LYS 68 21.486 13.620 -0.552 584 HE3 LYS 68 HE3 LYS 68 19.838 13.011 -0.653 585 HZ1 LYS 68 HZ1 LYS 68 19.027 15.172 0.004 586 HZ2 LYS 68 HZ2 LYS 68 20.016 15.306 -1.361 587 HZ3 LYS 68 HZ3 LYS 68 20.602 15.761 0.139 Start of MODEL 15 1 H LYS 1 H LYS 1 -24.085 -5.878 0.634 2 HA LYS 1 HA LYS 1 -22.246 -7.292 2.463 3 HB2 LYS 1 HB2 LYS 1 -22.703 -7.581 -0.516 4 HB3 LYS 1 HB3 LYS 1 -21.485 -8.431 0.412 5 HG2 LYS 1 HG2 LYS 1 -24.456 -8.707 0.754 6 HG3 LYS 1 HG3 LYS 1 -23.424 -9.837 -0.125 7 HD2 LYS 1 HD2 LYS 1 -22.179 -10.230 1.996 8 HD3 LYS 1 HD3 LYS 1 -23.328 -9.174 2.818 9 HE2 LYS 1 HE2 LYS 1 -24.007 -11.731 1.372 10 HE3 LYS 1 HE3 LYS 1 -23.902 -11.540 3.118 11 HZ1 LYS 1 HZ1 LYS 1 -25.854 -10.175 1.328 12 HZ2 LYS 1 HZ2 LYS 1 -25.732 -9.939 2.992 13 HZ3 LYS 1 HZ3 LYS 1 -26.187 -11.439 2.377 14 HA PRO 2 HA PRO 2 -19.675 -3.779 1.160 15 HB2 PRO 2 HB2 PRO 2 -17.642 -4.924 2.912 16 HB3 PRO 2 HB3 PRO 2 -18.488 -3.388 3.081 17 HG2 PRO 2 HG2 PRO 2 -18.882 -5.478 4.766 18 HG3 PRO 2 HG3 PRO 2 -20.136 -4.288 4.395 19 HD2 PRO 2 HD2 PRO 2 -19.777 -7.054 3.321 20 HD3 PRO 2 HD3 PRO 2 -21.262 -6.198 3.788 21 H VAL 3 H VAL 3 -17.543 -3.706 0.065 22 HA VAL 3 HA VAL 3 -17.087 -6.182 -1.335 23 HB VAL 3 HB VAL 3 -15.695 -3.506 -1.694 24 HG11 VAL 3 HG11 VAL 3 -15.688 -5.963 -3.453 25 HG12 VAL 3 HG12 VAL 3 -14.334 -5.376 -2.488 26 HG13 VAL 3 HG13 VAL 3 -14.928 -4.419 -3.841 27 HG21 VAL 3 HG21 VAL 3 -18.084 -3.371 -2.212 28 HG22 VAL 3 HG22 VAL 3 -17.936 -4.763 -3.283 29 HG23 VAL 3 HG23 VAL 3 -17.119 -3.252 -3.684 30 H SER 4 H SER 4 -16.022 -7.605 -0.236 31 HA SER 4 HA SER 4 -13.847 -6.810 1.479 32 HB2 SER 4 HB2 SER 4 -15.564 -8.415 2.299 33 HB3 SER 4 HB3 SER 4 -15.097 -9.532 1.021 34 HG SER 4 HG SER 4 -14.143 -9.768 3.228 35 H LEU 5 H LEU 5 -11.707 -7.568 1.126 36 HA LEU 5 HA LEU 5 -11.172 -9.066 -1.263 37 HB2 LEU 5 HB2 LEU 5 -11.372 -6.701 -2.009 38 HB3 LEU 5 HB3 LEU 5 -10.154 -6.238 -0.857 39 HG LEU 5 HG LEU 5 -9.524 -8.123 -3.141 40 HD11 LEU 5 HD11 LEU 5 -8.756 -6.155 -4.362 41 HD12 LEU 5 HD12 LEU 5 -9.355 -5.109 -3.072 42 HD13 LEU 5 HD13 LEU 5 -10.487 -6.046 -4.047 43 HD21 LEU 5 HD21 LEU 5 -7.840 -6.209 -1.524 44 HD22 LEU 5 HD22 LEU 5 -7.270 -7.292 -2.792 45 HD23 LEU 5 HD23 LEU 5 -7.907 -7.954 -1.287 46 H SER 6 H SER 6 -9.471 -10.352 -0.979 47 HA SER 6 HA SER 6 -8.449 -10.867 1.527 48 HB2 SER 6 HB2 SER 6 -7.299 -11.625 -1.163 49 HB3 SER 6 HB3 SER 6 -6.961 -12.423 0.374 50 HG SER 6 HG SER 6 -8.629 -13.441 -0.951 51 H TYR 7 H TYR 7 -6.706 -10.199 2.644 52 HA TYR 7 HA TYR 7 -5.333 -7.862 1.739 53 HB2 TYR 7 HB2 TYR 7 -6.061 -8.109 4.070 54 HB3 TYR 7 HB3 TYR 7 -5.041 -9.524 4.246 55 HD1 TYR 7 HD1 TYR 7 -2.623 -9.290 4.476 56 HD2 TYR 7 HD2 TYR 7 -5.132 -5.878 4.103 57 HE1 TYR 7 HE1 TYR 7 -0.798 -7.874 5.281 58 HE2 TYR 7 HE2 TYR 7 -3.322 -4.453 4.911 59 HH TYR 7 HH TYR 7 -1.297 -4.681 6.263 60 H ARG 8 H ARG 8 -3.671 -8.034 0.387 61 HA ARG 8 HA ARG 8 -1.704 -10.199 0.867 62 HB2 ARG 8 HB2 ARG 8 -1.829 -8.437 -1.607 63 HB3 ARG 8 HB3 ARG 8 -0.756 -9.780 -1.330 64 HG2 ARG 8 HG2 ARG 8 -2.304 -10.575 -2.873 65 HG3 ARG 8 HG3 ARG 8 -2.871 -11.210 -1.329 66 HD2 ARG 8 HD2 ARG 8 -4.530 -9.503 -1.170 67 HD3 ARG 8 HD3 ARG 8 -3.915 -8.699 -2.611 68 HE ARG 8 HE ARG 8 -4.838 -11.447 -2.821 69 HH11 ARG 8 HH11 ARG 8 -5.397 -8.005 -3.608 70 HH12 ARG 8 HH12 ARG 8 -6.616 -8.369 -4.724 71 HH21 ARG 8 HH21 ARG 8 -6.484 -11.851 -4.395 72 HH22 ARG 8 HH22 ARG 8 -7.253 -10.549 -5.178 73 H CYS 9 H CYS 9 -1.857 -6.944 -0.410 74 HA CYS 9 HA CYS 9 0.626 -6.196 0.911 75 HB2 CYS 9 HB2 CYS 9 -0.994 -4.657 -1.127 76 HB3 CYS 9 HB3 CYS 9 0.712 -4.493 -0.749 77 HA PRO 10 HA PRO 10 -1.738 -3.743 3.850 78 HB2 PRO 10 HB2 PRO 10 -0.271 -1.374 3.798 79 HB3 PRO 10 HB3 PRO 10 0.097 -2.780 4.802 80 HG2 PRO 10 HG2 PRO 10 1.259 -1.964 2.182 81 HG3 PRO 10 HG3 PRO 10 2.065 -2.684 3.587 82 HD2 PRO 10 HD2 PRO 10 1.478 -4.145 1.427 83 HD3 PRO 10 HD3 PRO 10 1.339 -4.829 3.057 84 H CYS 11 H CYS 11 -0.738 -2.053 0.886 85 HA CYS 11 HA CYS 11 -3.185 -0.506 1.077 86 HB2 CYS 11 HB2 CYS 11 -0.715 -0.080 -0.594 87 HB3 CYS 11 HB3 CYS 11 -2.165 0.918 -0.689 88 H ARG 12 H ARG 12 -4.783 -0.706 -0.272 89 HA ARG 12 HA ARG 12 -4.583 -2.746 -2.379 90 HB2 ARG 12 HB2 ARG 12 -6.994 -1.443 -1.098 91 HB3 ARG 12 HB3 ARG 12 -7.069 -2.639 -2.374 92 HG2 ARG 12 HG2 ARG 12 -6.108 -4.310 -0.884 93 HG3 ARG 12 HG3 ARG 12 -5.965 -3.096 0.394 94 HD2 ARG 12 HD2 ARG 12 -8.394 -2.772 0.341 95 HD3 ARG 12 HD3 ARG 12 -8.520 -3.975 -0.930 96 HE ARG 12 HE ARG 12 -7.652 -5.595 0.732 97 HH11 ARG 12 HH11 ARG 12 -9.244 -2.635 1.854 98 HH12 ARG 12 HH12 ARG 12 -9.859 -3.347 3.269 99 HH21 ARG 12 HH21 ARG 12 -8.576 -6.577 2.730 100 HH22 ARG 12 HH22 ARG 12 -9.465 -5.558 3.768 101 H PHE 13 H PHE 13 -6.071 0.407 -1.769 102 HA PHE 13 HA PHE 13 -5.833 1.047 -4.624 103 HB2 PHE 13 HB2 PHE 13 -7.663 2.252 -2.531 104 HB3 PHE 13 HB3 PHE 13 -7.611 2.697 -4.228 105 HD1 PHE 13 HD1 PHE 13 -8.440 1.093 -5.940 106 HD2 PHE 13 HD2 PHE 13 -8.881 0.366 -1.768 107 HE1 PHE 13 HE1 PHE 13 -10.174 -0.585 -6.418 108 HE2 PHE 13 HE2 PHE 13 -10.615 -1.312 -2.240 109 HZ PHE 13 HZ PHE 13 -11.264 -1.789 -4.565 110 H PHE 14 H PHE 14 -4.713 2.880 -5.165 111 HA PHE 14 HA PHE 14 -3.435 4.314 -2.958 112 HB2 PHE 14 HB2 PHE 14 -2.759 4.324 -5.910 113 HB3 PHE 14 HB3 PHE 14 -1.907 5.236 -4.674 114 HD1 PHE 14 HD1 PHE 14 -1.100 3.698 -2.633 115 HD2 PHE 14 HD2 PHE 14 -1.789 2.378 -6.611 116 HE1 PHE 14 HE1 PHE 14 0.405 1.790 -2.254 117 HE2 PHE 14 HE2 PHE 14 -0.293 0.474 -6.248 118 HZ PHE 14 HZ PHE 14 0.813 0.170 -4.063 119 H GLU 15 H GLU 15 -3.667 6.546 -2.735 120 HA GLU 15 HA GLU 15 -6.083 7.636 -3.666 121 HB2 GLU 15 HB2 GLU 15 -4.645 8.035 -1.559 122 HB3 GLU 15 HB3 GLU 15 -3.724 9.127 -2.568 123 HG2 GLU 15 HG2 GLU 15 -6.625 9.334 -1.843 124 HG3 GLU 15 HG3 GLU 15 -5.282 10.283 -1.221 125 H SER 16 H SER 16 -2.654 8.191 -4.255 126 HA SER 16 HA SER 16 -1.400 8.750 -5.992 127 HB2 SER 16 HB2 SER 16 -2.787 7.259 -7.359 128 HB3 SER 16 HB3 SER 16 -3.899 8.592 -7.711 129 HG SER 16 HG SER 16 -1.145 8.533 -8.240 130 H HIS 17 H HIS 17 -4.354 10.654 -5.664 131 HA HIS 17 HA HIS 17 -3.136 12.998 -6.904 132 HB2 HIS 17 HB2 HIS 17 -5.615 12.373 -7.070 133 HB3 HIS 17 HB3 HIS 17 -5.752 12.822 -5.375 134 HD1 HIS 17 HD1 HIS 17 -4.935 14.307 -8.728 135 HD2 HIS 17 HD2 HIS 17 -6.046 15.532 -4.930 136 HE1 HIS 17 HE1 HIS 17 -5.339 16.756 -8.924 137 HE2 HIS 17 HE2 HIS 17 -6.297 17.412 -6.673 138 H VAL 18 H VAL 18 -1.751 11.928 -4.727 139 HA VAL 18 HA VAL 18 -2.296 13.621 -2.423 140 HB VAL 18 HB VAL 18 -0.151 11.517 -2.817 141 HG11 VAL 18 HG11 VAL 18 0.015 11.537 -0.373 142 HG12 VAL 18 HG12 VAL 18 -1.156 12.852 -0.316 143 HG13 VAL 18 HG13 VAL 18 0.407 13.103 -1.081 144 HG21 VAL 18 HG21 VAL 18 -2.341 10.515 -2.994 145 HG22 VAL 18 HG22 VAL 18 -2.847 11.254 -1.479 146 HG23 VAL 18 HG23 VAL 18 -1.579 10.030 -1.479 147 H ALA 19 H ALA 19 -1.145 15.392 -2.063 148 HA ALA 19 HA ALA 19 1.083 16.004 -3.860 149 HB1 ALA 19 HB1 ALA 19 -0.834 17.528 -3.938 150 HB2 ALA 19 HB2 ALA 19 0.610 18.338 -3.332 151 HB3 ALA 19 HB3 ALA 19 -0.654 17.835 -2.211 152 H ARG 20 H ARG 20 3.008 16.812 -3.002 153 HA ARG 20 HA ARG 20 3.927 15.597 -0.685 154 HB2 ARG 20 HB2 ARG 20 5.439 16.226 -2.479 155 HB3 ARG 20 HB3 ARG 20 5.095 17.929 -2.223 156 HG2 ARG 20 HG2 ARG 20 7.283 17.253 -1.310 157 HG3 ARG 20 HG3 ARG 20 6.190 17.853 -0.055 158 HD2 ARG 20 HD2 ARG 20 5.606 15.524 0.481 159 HD3 ARG 20 HD3 ARG 20 6.769 14.996 -0.729 160 HE ARG 20 HE ARG 20 8.524 15.760 0.645 161 HH11 ARG 20 HH11 ARG 20 5.365 16.142 2.198 162 HH12 ARG 20 HH12 ARG 20 5.991 16.093 3.788 163 HH21 ARG 20 HH21 ARG 20 9.358 15.675 2.785 164 HH22 ARG 20 HH22 ARG 20 8.340 15.824 4.144 165 H ALA 21 H ALA 21 2.844 18.891 -1.192 166 HA ALA 21 HA ALA 21 3.491 19.751 1.466 167 HB1 ALA 21 HB1 ALA 21 1.801 21.038 -0.623 168 HB2 ALA 21 HB2 ALA 21 3.553 21.268 -0.424 169 HB3 ALA 21 HB3 ALA 21 2.424 21.815 0.836 170 H ASN 22 H ASN 22 0.994 17.892 0.265 171 HA ASN 22 HA ASN 22 -0.869 18.865 2.316 172 HB2 ASN 22 HB2 ASN 22 -1.773 18.664 -0.015 173 HB3 ASN 22 HB3 ASN 22 -1.392 16.951 0.007 174 HD21 ASN 22 HD21 ASN 22 -3.541 16.403 -0.348 175 HD22 ASN 22 HD22 ASN 22 -4.759 16.537 0.860 176 H VAL 23 H VAL 23 1.584 16.894 2.076 177 HA VAL 23 HA VAL 23 0.320 14.697 3.525 178 HB VAL 23 HB VAL 23 3.208 14.841 2.628 179 HG11 VAL 23 HG11 VAL 23 1.707 12.662 4.001 180 HG12 VAL 23 HG12 VAL 23 3.092 13.564 4.585 181 HG13 VAL 23 HG13 VAL 23 3.283 12.470 3.234 182 HG21 VAL 23 HG21 VAL 23 0.904 13.224 1.543 183 HG22 VAL 23 HG22 VAL 23 2.573 13.117 0.997 184 HG23 VAL 23 HG23 VAL 23 1.661 14.591 0.730 185 H LYS 24 H LYS 24 0.112 14.756 5.515 186 HA LYS 24 HA LYS 24 1.290 16.492 7.413 187 HB2 LYS 24 HB2 LYS 24 -0.943 15.354 7.419 188 HB3 LYS 24 HB3 LYS 24 -0.104 13.862 7.806 189 HG2 LYS 24 HG2 LYS 24 -0.635 14.525 9.900 190 HG3 LYS 24 HG3 LYS 24 0.896 15.387 9.726 191 HD2 LYS 24 HD2 LYS 24 -0.587 17.088 10.473 192 HD3 LYS 24 HD3 LYS 24 -0.489 17.177 8.687 193 HE2 LYS 24 HE2 LYS 24 -2.532 16.105 8.349 194 HE3 LYS 24 HE3 LYS 24 -2.591 15.581 10.008 195 HZ1 LYS 24 HZ1 LYS 24 -2.816 18.444 9.202 196 HZ2 LYS 24 HZ2 LYS 24 -3.005 17.784 10.738 197 HZ3 LYS 24 HZ3 LYS 24 -4.131 17.427 9.538 198 H HIS 25 H HIS 25 1.605 13.127 6.458 199 HA HIS 25 HA HIS 25 4.048 12.729 7.986 200 HB2 HIS 25 HB2 HIS 25 2.445 12.220 9.649 201 HB3 HIS 25 HB3 HIS 25 1.394 11.411 8.510 202 HD1 HIS 25 HD1 HIS 25 3.981 10.797 10.989 203 HD2 HIS 25 HD2 HIS 25 2.374 8.829 7.718 204 HE1 HIS 25 HE1 HIS 25 4.617 8.387 11.299 205 HE2 HIS 25 HE2 HIS 25 3.215 7.224 9.572 206 H LEU 26 H LEU 26 5.401 11.503 6.781 207 HA LEU 26 HA LEU 26 4.317 9.840 4.639 208 HB2 LEU 26 HB2 LEU 26 7.121 10.752 5.214 209 HB3 LEU 26 HB3 LEU 26 6.690 9.499 4.056 210 HG LEU 26 HG LEU 26 7.152 11.415 2.917 211 HD11 LEU 26 HD11 LEU 26 5.523 10.199 1.885 212 HD12 LEU 26 HD12 LEU 26 5.057 11.894 1.700 213 HD13 LEU 26 HD13 LEU 26 4.241 10.866 2.883 214 HD21 LEU 26 HD21 LEU 26 5.960 13.548 3.156 215 HD22 LEU 26 HD22 LEU 26 6.924 13.122 4.564 216 HD23 LEU 26 HD23 LEU 26 5.170 12.916 4.612 217 H LYS 27 H LYS 27 4.588 7.639 4.625 218 HA LYS 27 HA LYS 27 6.341 6.371 6.552 219 HB2 LYS 27 HB2 LYS 27 4.121 6.337 7.662 220 HB3 LYS 27 HB3 LYS 27 3.405 5.752 6.193 221 HG2 LYS 27 HG2 LYS 27 3.679 3.965 7.857 222 HG3 LYS 27 HG3 LYS 27 4.541 3.638 6.358 223 HD2 LYS 27 HD2 LYS 27 5.971 3.022 8.198 224 HD3 LYS 27 HD3 LYS 27 6.611 4.475 7.427 225 HE2 LYS 27 HE2 LYS 27 6.752 4.700 9.835 226 HE3 LYS 27 HE3 LYS 27 5.572 5.840 9.194 227 HZ1 LYS 27 HZ1 LYS 27 4.954 3.237 10.463 228 HZ2 LYS 27 HZ2 LYS 27 3.806 4.288 9.863 229 HZ3 LYS 27 HZ3 LYS 27 4.761 4.744 11.177 230 H ILE 28 H ILE 28 7.464 4.765 5.470 231 HA ILE 28 HA ILE 28 6.314 4.019 2.875 232 HB ILE 28 HB ILE 28 9.233 3.686 3.667 233 HG12 ILE 28 HG12 ILE 28 7.864 5.915 2.193 234 HG13 ILE 28 HG13 ILE 28 8.746 6.055 3.719 235 HG21 ILE 28 HG21 ILE 28 8.209 2.336 1.733 236 HG22 ILE 28 HG22 ILE 28 9.575 3.399 1.294 237 HG23 ILE 28 HG23 ILE 28 7.930 3.933 1.005 238 HD11 ILE 28 HD11 ILE 28 10.778 5.258 2.350 239 HD12 ILE 28 HD12 ILE 28 10.135 6.901 2.021 240 HD13 ILE 28 HD13 ILE 28 9.676 5.578 0.975 241 H LEU 29 H LEU 29 5.629 1.979 2.634 242 HA LEU 29 HA LEU 29 6.507 0.031 4.637 243 HB2 LEU 29 HB2 LEU 29 3.861 0.201 3.194 244 HB3 LEU 29 HB3 LEU 29 4.334 -1.085 4.283 245 HG LEU 29 HG LEU 29 3.868 1.805 5.035 246 HD11 LEU 29 HD11 LEU 29 1.819 0.602 4.528 247 HD12 LEU 29 HD12 LEU 29 1.952 0.930 6.256 248 HD13 LEU 29 HD13 LEU 29 2.291 -0.687 5.636 249 HD21 LEU 29 HD21 LEU 29 4.133 1.041 7.347 250 HD22 LEU 29 HD22 LEU 29 5.615 0.821 6.428 251 HD23 LEU 29 HD23 LEU 29 4.576 -0.565 6.772 252 H ASN 30 H ASN 30 7.807 -1.374 3.780 253 HA ASN 30 HA ASN 30 7.500 -2.087 0.965 254 HB2 ASN 30 HB2 ASN 30 9.783 -1.486 1.648 255 HB3 ASN 30 HB3 ASN 30 9.749 -2.720 2.897 256 HD21 ASN 30 HD21 ASN 30 11.504 -3.820 2.044 257 HD22 ASN 30 HD22 ASN 30 11.404 -4.719 0.586 258 H THR 31 H THR 31 6.425 -3.813 0.512 259 HA THR 31 HA THR 31 6.021 -5.817 2.590 260 HB THR 31 HB THR 31 4.592 -5.415 -0.009 261 HG1 THR 31 HG1 THR 31 4.028 -4.579 2.648 262 HG21 THR 31 HG21 THR 31 3.888 -7.049 2.420 263 HG22 THR 31 HG22 THR 31 4.401 -7.682 0.854 264 HG23 THR 31 HG23 THR 31 2.856 -6.840 1.005 265 HA PRO 32 HA PRO 32 9.202 -8.246 0.557 266 HB2 PRO 32 HB2 PRO 32 7.616 -10.454 1.767 267 HB3 PRO 32 HB3 PRO 32 9.349 -10.133 1.865 268 HG2 PRO 32 HG2 PRO 32 7.718 -9.612 3.920 269 HG3 PRO 32 HG3 PRO 32 9.101 -8.572 3.546 270 HD2 PRO 32 HD2 PRO 32 6.195 -8.075 3.112 271 HD3 PRO 32 HD3 PRO 32 7.513 -6.934 3.422 272 H ASN 33 H ASN 33 5.852 -9.436 0.526 273 HA ASN 33 HA ASN 33 6.422 -10.735 -2.012 274 HB2 ASN 33 HB2 ASN 33 4.068 -11.050 -0.150 275 HB3 ASN 33 HB3 ASN 33 4.228 -11.874 -1.700 276 HD21 ASN 33 HD21 ASN 33 5.346 -11.690 1.563 277 HD22 ASN 33 HD22 ASN 33 6.267 -13.147 1.540 278 H CYS 34 H CYS 34 5.815 -7.737 -1.592 279 HA CYS 34 HA CYS 34 3.992 -7.759 -3.865 280 HB2 CYS 34 HB2 CYS 34 3.747 -5.714 -1.639 281 HB3 CYS 34 HB3 CYS 34 2.880 -5.687 -3.150 282 H ALA 35 H ALA 35 5.364 -4.909 -2.242 283 HA ALA 35 HA ALA 35 7.520 -4.371 -3.827 284 HB1 ALA 35 HB1 ALA 35 6.547 -2.695 -5.381 285 HB2 ALA 35 HB2 ALA 35 4.933 -3.185 -4.856 286 HB3 ALA 35 HB3 ALA 35 5.957 -4.324 -5.733 287 H LEU 36 H LEU 36 7.560 -1.734 -3.907 288 HA LEU 36 HA LEU 36 7.164 -0.916 -1.216 289 HB2 LEU 36 HB2 LEU 36 8.286 0.438 -3.614 290 HB3 LEU 36 HB3 LEU 36 7.792 1.406 -2.245 291 HG LEU 36 HG LEU 36 10.157 0.979 -2.220 292 HD11 LEU 36 HD11 LEU 36 8.717 -0.438 0.003 293 HD12 LEU 36 HD12 LEU 36 9.044 1.289 -0.118 294 HD13 LEU 36 HD13 LEU 36 10.377 0.153 0.061 295 HD21 LEU 36 HD21 LEU 36 9.397 -1.901 -1.963 296 HD22 LEU 36 HD22 LEU 36 11.039 -1.279 -1.777 297 HD23 LEU 36 HD23 LEU 36 10.220 -1.191 -3.353 298 H GLN 37 H GLN 37 5.931 0.453 -0.421 299 HA GLN 37 HA GLN 37 3.696 1.548 -1.929 300 HB2 GLN 37 HB2 GLN 37 3.498 -0.254 0.460 301 HB3 GLN 37 HB3 GLN 37 2.170 0.778 -0.066 302 HG2 GLN 37 HG2 GLN 37 1.819 -0.420 -1.981 303 HG3 GLN 37 HG3 GLN 37 3.464 -1.055 -2.010 304 HE21 GLN 37 HE21 GLN 37 4.008 -2.656 -0.754 305 HE22 GLN 37 HE22 GLN 37 2.890 -3.693 0.035 306 H ILE 38 H ILE 38 3.283 3.633 -1.131 307 HA ILE 38 HA ILE 38 4.662 4.226 1.361 308 HB ILE 38 HB ILE 38 4.292 6.162 -0.970 309 HG12 ILE 38 HG12 ILE 38 6.601 4.489 -0.029 310 HG13 ILE 38 HG13 ILE 38 5.774 4.344 -1.559 311 HG21 ILE 38 HG21 ILE 38 5.881 7.554 0.297 312 HG22 ILE 38 HG22 ILE 38 5.955 6.314 1.552 313 HG23 ILE 38 HG23 ILE 38 4.458 7.222 1.299 314 HD11 ILE 38 HD11 ILE 38 6.666 6.609 -2.148 315 HD12 ILE 38 HD12 ILE 38 7.834 5.303 -1.924 316 HD13 ILE 38 HD13 ILE 38 7.654 6.500 -0.651 317 H VAL 39 H VAL 39 3.603 5.335 2.856 318 HA VAL 39 HA VAL 39 0.722 5.743 2.380 319 HB VAL 39 HB VAL 39 2.144 4.891 4.923 320 HG11 VAL 39 HG11 VAL 39 0.264 6.304 5.475 321 HG12 VAL 39 HG12 VAL 39 -0.091 4.633 5.907 322 HG13 VAL 39 HG13 VAL 39 -0.803 5.341 4.453 323 HG21 VAL 39 HG21 VAL 39 0.908 2.794 4.665 324 HG22 VAL 39 HG22 VAL 39 1.987 3.092 3.303 325 HG23 VAL 39 HG23 VAL 39 0.252 3.373 3.132 326 H ALA 40 H ALA 40 -0.161 7.651 3.009 327 HA ALA 40 HA ALA 40 1.507 9.482 4.559 328 HB1 ALA 40 HB1 ALA 40 0.883 11.299 3.110 329 HB2 ALA 40 HB2 ALA 40 0.062 10.126 2.036 330 HB3 ALA 40 HB3 ALA 40 1.806 10.031 2.304 331 H ARG 41 H ARG 41 0.387 11.119 5.471 332 HA ARG 41 HA ARG 41 -2.472 10.673 5.887 333 HB2 ARG 41 HB2 ARG 41 -1.030 10.318 7.841 334 HB3 ARG 41 HB3 ARG 41 -0.355 11.912 7.627 335 HG2 ARG 41 HG2 ARG 41 -1.895 11.713 9.452 336 HG3 ARG 41 HG3 ARG 41 -2.493 12.914 8.278 337 HD2 ARG 41 HD2 ARG 41 -4.078 11.261 7.538 338 HD3 ARG 41 HD3 ARG 41 -3.357 10.040 8.597 339 HE ARG 41 HE ARG 41 -4.077 12.339 10.060 340 HH11 ARG 41 HH11 ARG 41 -5.658 9.516 8.583 341 HH12 ARG 41 HH12 ARG 41 -6.903 9.468 9.732 342 HH21 ARG 41 HH21 ARG 41 -5.800 12.234 11.634 343 HH22 ARG 41 HH22 ARG 41 -6.989 11.035 11.476 344 H LEU 42 H LEU 42 -3.795 12.434 5.301 345 HA LEU 42 HA LEU 42 -2.387 14.570 3.947 346 HB2 LEU 42 HB2 LEU 42 -5.316 13.892 4.089 347 HB3 LEU 42 HB3 LEU 42 -4.637 15.166 3.090 348 HG LEU 42 HG LEU 42 -4.083 12.212 2.818 349 HD11 LEU 42 HD11 LEU 42 -6.302 12.807 2.073 350 HD12 LEU 42 HD12 LEU 42 -5.268 12.409 0.702 351 HD13 LEU 42 HD13 LEU 42 -5.637 14.096 1.073 352 HD21 LEU 42 HD21 LEU 42 -2.907 12.828 0.762 353 HD22 LEU 42 HD22 LEU 42 -2.118 13.495 2.193 354 HD23 LEU 42 HD23 LEU 42 -3.107 14.534 1.164 355 H LYS 43 H LYS 43 -2.538 16.727 4.350 356 HA LYS 43 HA LYS 43 -3.000 17.465 7.112 357 HB2 LYS 43 HB2 LYS 43 -2.085 19.174 4.811 358 HB3 LYS 43 HB3 LYS 43 -2.053 19.612 6.508 359 HG2 LYS 43 HG2 LYS 43 -0.469 17.733 6.884 360 HG3 LYS 43 HG3 LYS 43 -0.445 17.472 5.147 361 HD2 LYS 43 HD2 LYS 43 1.482 18.788 5.778 362 HD3 LYS 43 HD3 LYS 43 0.375 19.794 4.846 363 HE2 LYS 43 HE2 LYS 43 -0.479 20.796 6.904 364 HE3 LYS 43 HE3 LYS 43 0.561 19.736 7.853 365 HZ1 LYS 43 HZ1 LYS 43 2.482 20.809 6.862 366 HZ2 LYS 43 HZ2 LYS 43 1.513 21.950 7.628 367 HZ3 LYS 43 HZ3 LYS 43 1.496 21.834 5.959 368 H ASN 44 H ASN 44 -4.465 18.268 3.972 369 HA ASN 44 HA ASN 44 -5.981 20.342 5.243 370 HB2 ASN 44 HB2 ASN 44 -5.243 20.716 2.970 371 HB3 ASN 44 HB3 ASN 44 -6.136 19.311 2.410 372 HD21 ASN 44 HD21 ASN 44 -8.307 19.481 2.077 373 HD22 ASN 44 HD22 ASN 44 -9.200 20.951 2.197 374 H ASN 45 H ASN 45 -6.821 17.171 3.914 375 HA ASN 45 HA ASN 45 -9.445 17.542 5.139 376 HB2 ASN 45 HB2 ASN 45 -10.242 15.689 3.682 377 HB3 ASN 45 HB3 ASN 45 -9.607 17.050 2.773 378 HD21 ASN 45 HD21 ASN 45 -9.937 14.359 1.840 379 HD22 ASN 45 HD22 ASN 45 -8.364 13.823 1.407 380 H ASN 46 H ASN 46 -6.588 16.269 5.888 381 HA ASN 46 HA ASN 46 -5.815 14.956 7.530 382 HB2 ASN 46 HB2 ASN 46 -8.548 15.549 8.621 383 HB3 ASN 46 HB3 ASN 46 -7.354 14.633 9.530 384 HD21 ASN 46 HD21 ASN 46 -8.578 17.228 10.064 385 HD22 ASN 46 HD22 ASN 46 -7.287 18.348 10.253 386 H ARG 47 H ARG 47 -7.075 13.365 5.278 387 HA ARG 47 HA ARG 47 -7.737 11.050 6.912 388 HB2 ARG 47 HB2 ARG 47 -8.607 9.968 4.951 389 HB3 ARG 47 HB3 ARG 47 -9.296 11.579 5.139 390 HG2 ARG 47 HG2 ARG 47 -7.980 12.424 3.402 391 HG3 ARG 47 HG3 ARG 47 -7.081 10.895 3.277 392 HD2 ARG 47 HD2 ARG 47 -9.186 9.725 2.677 393 HD3 ARG 47 HD3 ARG 47 -10.052 11.254 2.740 394 HE ARG 47 HE ARG 47 -8.320 11.825 0.825 395 HH11 ARG 47 HH11 ARG 47 -10.044 8.753 1.300 396 HH12 ARG 47 HH12 ARG 47 -10.087 8.377 -0.354 397 HH21 ARG 47 HH21 ARG 47 -8.433 11.303 -1.435 398 HH22 ARG 47 HH22 ARG 47 -9.164 9.853 -1.950 399 H GLN 48 H GLN 48 -6.629 8.980 6.609 400 HA GLN 48 HA GLN 48 -3.912 9.450 5.900 401 HB2 GLN 48 HB2 GLN 48 -4.573 8.278 7.973 402 HB3 GLN 48 HB3 GLN 48 -5.259 6.974 7.002 403 HG2 GLN 48 HG2 GLN 48 -3.080 6.601 6.031 404 HG3 GLN 48 HG3 GLN 48 -2.443 7.894 7.058 405 HE21 GLN 48 HE21 GLN 48 -1.026 6.569 8.170 406 HE22 GLN 48 HE22 GLN 48 -1.541 5.372 9.295 407 H VAL 49 H VAL 49 -3.093 8.492 3.965 408 HA VAL 49 HA VAL 49 -4.823 6.693 2.435 409 HB VAL 49 HB VAL 49 -4.210 7.967 0.365 410 HG11 VAL 49 HG11 VAL 49 -6.484 8.034 1.308 411 HG12 VAL 49 HG12 VAL 49 -6.064 9.598 0.631 412 HG13 VAL 49 HG13 VAL 49 -6.008 9.349 2.385 413 HG21 VAL 49 HG21 VAL 49 -2.453 9.351 1.225 414 HG22 VAL 49 HG22 VAL 49 -3.565 10.136 2.350 415 HG23 VAL 49 HG23 VAL 49 -3.754 10.369 0.610 416 H CYS 50 H CYS 50 -3.766 5.708 0.621 417 HA CYS 50 HA CYS 50 -0.919 5.355 1.059 418 HB2 CYS 50 HB2 CYS 50 -2.884 3.786 -0.625 419 HB3 CYS 50 HB3 CYS 50 -1.162 3.428 -0.494 420 H ILE 51 H ILE 51 0.554 5.938 -0.399 421 HA ILE 51 HA ILE 51 -0.306 7.687 -2.570 422 HB ILE 51 HB ILE 51 2.418 7.252 -1.311 423 HG12 ILE 51 HG12 ILE 51 0.455 9.504 -0.925 424 HG13 ILE 51 HG13 ILE 51 0.902 8.295 0.279 425 HG21 ILE 51 HG21 ILE 51 2.561 8.028 -3.585 426 HG22 ILE 51 HG22 ILE 51 2.991 9.325 -2.447 427 HG23 ILE 51 HG23 ILE 51 1.399 9.319 -3.197 428 HD11 ILE 51 HD11 ILE 51 2.836 10.174 -1.008 429 HD12 ILE 51 HD12 ILE 51 3.153 9.127 0.364 430 HD13 ILE 51 HD13 ILE 51 2.049 10.529 0.509 431 H ASP 52 H ASP 52 0.445 7.261 -4.726 432 HA ASP 52 HA ASP 52 1.211 4.549 -5.120 433 HB2 ASP 52 HB2 ASP 52 0.738 4.896 -7.467 434 HB3 ASP 52 HB3 ASP 52 -0.488 5.752 -6.511 435 HA PRO 53 HA PRO 53 5.557 5.439 -5.301 436 HB2 PRO 53 HB2 PRO 53 6.368 3.210 -6.556 437 HB3 PRO 53 HB3 PRO 53 5.788 3.182 -4.882 438 HG2 PRO 53 HG2 PRO 53 4.258 2.612 -7.407 439 HG3 PRO 53 HG3 PRO 53 4.365 1.612 -5.948 440 HD2 PRO 53 HD2 PRO 53 2.274 3.181 -6.295 441 HD3 PRO 53 HD3 PRO 53 3.073 3.083 -4.698 442 H LYS 54 H LYS 54 3.544 5.589 -7.917 443 HA LYS 54 HA LYS 54 5.688 5.752 -9.918 444 HB2 LYS 54 HB2 LYS 54 2.725 6.046 -10.507 445 HB3 LYS 54 HB3 LYS 54 4.083 5.664 -11.570 446 HG2 LYS 54 HG2 LYS 54 3.062 3.832 -9.442 447 HG3 LYS 54 HG3 LYS 54 2.659 3.737 -11.156 448 HD2 LYS 54 HD2 LYS 54 5.400 3.740 -10.083 449 HD3 LYS 54 HD3 LYS 54 4.537 2.199 -10.387 450 HE2 LYS 54 HE2 LYS 54 4.387 3.051 -12.798 451 HE3 LYS 54 HE3 LYS 54 5.468 4.349 -12.306 452 HZ1 LYS 54 HZ1 LYS 54 6.070 1.463 -12.174 453 HZ2 LYS 54 HZ2 LYS 54 7.101 2.688 -11.663 454 HZ3 LYS 54 HZ3 LYS 54 6.706 2.557 -13.299 455 H LEU 55 H LEU 55 3.988 7.753 -7.857 456 HA LEU 55 HA LEU 55 3.657 10.160 -9.293 457 HB2 LEU 55 HB2 LEU 55 3.995 9.372 -6.488 458 HB3 LEU 55 HB3 LEU 55 3.950 11.094 -6.843 459 HG LEU 55 HG LEU 55 1.814 9.010 -7.400 460 HD11 LEU 55 HD11 LEU 55 0.556 10.071 -5.717 461 HD12 LEU 55 HD12 LEU 55 1.845 11.264 -5.403 462 HD13 LEU 55 HD13 LEU 55 2.093 9.540 -5.075 463 HD21 LEU 55 HD21 LEU 55 1.777 10.758 -9.087 464 HD22 LEU 55 HD22 LEU 55 1.756 11.989 -7.817 465 HD23 LEU 55 HD23 LEU 55 0.401 10.874 -7.993 466 H LYS 56 H LYS 56 4.876 11.730 -9.900 467 HA LYS 56 HA LYS 56 7.639 11.411 -10.199 468 HB2 LYS 56 HB2 LYS 56 6.318 12.833 -11.698 469 HB3 LYS 56 HB3 LYS 56 6.001 13.950 -10.383 470 HG2 LYS 56 HG2 LYS 56 8.422 14.424 -10.237 471 HG3 LYS 56 HG3 LYS 56 8.680 13.369 -11.627 472 HD2 LYS 56 HD2 LYS 56 7.272 14.805 -12.999 473 HD3 LYS 56 HD3 LYS 56 6.950 15.844 -11.607 474 HE2 LYS 56 HE2 LYS 56 9.367 16.345 -11.463 475 HE3 LYS 56 HE3 LYS 56 9.633 15.353 -12.894 476 HZ1 LYS 56 HZ1 LYS 56 8.223 16.869 -14.152 477 HZ2 LYS 56 HZ2 LYS 56 9.506 17.714 -13.450 478 HZ3 LYS 56 HZ3 LYS 56 7.971 17.809 -12.778 479 H TRP 57 H TRP 57 5.779 13.299 -7.823 480 HA TRP 57 HA TRP 57 8.147 14.386 -6.671 481 HB2 TRP 57 HB2 TRP 57 6.815 15.230 -4.850 482 HB3 TRP 57 HB3 TRP 57 5.905 15.480 -6.319 483 HD1 TRP 57 HD1 TRP 57 3.551 14.076 -6.525 484 HE1 TRP 57 HE1 TRP 57 2.111 12.974 -4.666 485 HE3 TRP 57 HE3 TRP 57 6.987 13.844 -2.754 486 HZ2 TRP 57 HZ2 TRP 57 2.381 12.106 -2.068 487 HZ3 TRP 57 HZ3 TRP 57 6.327 12.848 -0.627 488 HH2 TRP 57 HH2 TRP 57 4.062 11.991 -0.278 489 H ILE 58 H ILE 58 6.562 11.414 -6.424 490 HA ILE 58 HA ILE 58 7.736 10.629 -3.996 491 HB ILE 58 HB ILE 58 6.219 9.179 -6.139 492 HG12 ILE 58 HG12 ILE 58 4.983 10.469 -4.492 493 HG13 ILE 58 HG13 ILE 58 4.638 8.750 -4.345 494 HG21 ILE 58 HG21 ILE 58 7.553 7.809 -3.830 495 HG22 ILE 58 HG22 ILE 58 7.896 7.584 -5.557 496 HG23 ILE 58 HG23 ILE 58 6.319 7.124 -4.896 497 HD11 ILE 58 HD11 ILE 58 4.868 9.760 -2.154 498 HD12 ILE 58 HD12 ILE 58 6.473 10.351 -2.563 499 HD13 ILE 58 HD13 ILE 58 6.175 8.621 -2.442 500 H GLN 59 H GLN 59 8.602 10.323 -7.410 501 HA GLN 59 HA GLN 59 10.891 8.760 -6.960 502 HB2 GLN 59 HB2 GLN 59 10.244 10.716 -9.145 503 HB3 GLN 59 HB3 GLN 59 11.860 10.044 -9.008 504 HG2 GLN 59 HG2 GLN 59 10.616 8.784 -10.604 505 HG3 GLN 59 HG3 GLN 59 10.931 7.791 -9.201 506 HE21 GLN 59 HE21 GLN 59 9.222 7.165 -7.902 507 HE22 GLN 59 HE22 GLN 59 7.576 7.295 -8.404 508 H GLU 60 H GLU 60 10.478 12.256 -6.941 509 HA GLU 60 HA GLU 60 13.042 13.015 -6.154 510 HB2 GLU 60 HB2 GLU 60 10.358 14.163 -5.384 511 HB3 GLU 60 HB3 GLU 60 11.883 14.924 -4.974 512 HG2 GLU 60 HG2 GLU 60 10.923 14.376 -7.772 513 HG3 GLU 60 HG3 GLU 60 10.789 15.921 -6.935 514 H TYR 61 H TYR 61 10.257 12.175 -4.166 515 HA TYR 61 HA TYR 61 11.400 12.381 -1.652 516 HB2 TYR 61 HB2 TYR 61 8.997 12.175 -1.949 517 HB3 TYR 61 HB3 TYR 61 9.203 10.585 -2.665 518 HD1 TYR 61 HD1 TYR 61 9.677 12.452 0.551 519 HD2 TYR 61 HD2 TYR 61 9.071 8.689 -1.365 520 HE1 TYR 61 HE1 TYR 61 9.394 11.390 2.726 521 HE2 TYR 61 HE2 TYR 61 8.779 7.619 0.797 522 HH TYR 61 HH TYR 61 8.349 9.397 3.679 523 H LEU 62 H LEU 62 11.308 9.572 -3.801 524 HA LEU 62 HA LEU 62 12.548 7.785 -2.013 525 HB2 LEU 62 HB2 LEU 62 12.470 7.748 -5.014 526 HB3 LEU 62 HB3 LEU 62 13.019 6.416 -4.015 527 HG LEU 62 HG LEU 62 10.235 7.555 -4.046 528 HD11 LEU 62 HD11 LEU 62 11.321 4.963 -5.096 529 HD12 LEU 62 HD12 LEU 62 10.775 6.349 -6.049 530 HD13 LEU 62 HD13 LEU 62 9.619 5.449 -5.056 531 HD21 LEU 62 HD21 LEU 62 9.706 5.638 -2.609 532 HD22 LEU 62 HD22 LEU 62 10.847 6.766 -1.864 533 HD23 LEU 62 HD23 LEU 62 11.433 5.249 -2.545 534 H GLU 63 H GLU 63 13.850 9.795 -4.522 535 HA GLU 63 HA GLU 63 16.546 8.976 -4.304 536 HB2 GLU 63 HB2 GLU 63 15.515 11.713 -5.014 537 HB3 GLU 63 HB3 GLU 63 17.154 11.141 -5.285 538 HG2 GLU 63 HG2 GLU 63 16.272 9.478 -6.843 539 HG3 GLU 63 HG3 GLU 63 14.645 10.099 -6.556 540 H LYS 64 H LYS 64 14.815 11.637 -2.732 541 HA LYS 64 HA LYS 64 17.169 12.396 -1.285 542 HB2 LYS 64 HB2 LYS 64 14.401 13.454 -1.310 543 HB3 LYS 64 HB3 LYS 64 15.602 14.046 -0.172 544 HG2 LYS 64 HG2 LYS 64 15.547 15.596 -2.006 545 HG3 LYS 64 HG3 LYS 64 17.035 14.650 -2.128 546 HD2 LYS 64 HD2 LYS 64 15.999 13.266 -3.855 547 HD3 LYS 64 HD3 LYS 64 14.511 14.208 -3.738 548 HE2 LYS 64 HE2 LYS 64 15.790 16.213 -4.419 549 HE3 LYS 64 HE3 LYS 64 17.223 15.207 -4.610 550 HZ1 LYS 64 HZ1 LYS 64 16.256 15.481 -6.737 551 HZ2 LYS 64 HZ2 LYS 64 14.730 15.179 -6.219 552 HZ3 LYS 64 HZ3 LYS 64 15.832 13.898 -6.330 553 H ALA 65 H ALA 65 14.674 10.229 -0.599 554 HA ALA 65 HA ALA 65 15.293 10.487 2.264 555 HB1 ALA 65 HB1 ALA 65 12.893 10.418 1.686 556 HB2 ALA 65 HB2 ALA 65 13.362 9.085 2.744 557 HB3 ALA 65 HB3 ALA 65 13.116 8.802 1.021 558 H LEU 66 H LEU 66 15.482 8.142 -0.336 559 HA LEU 66 HA LEU 66 16.645 6.228 1.459 560 HB2 LEU 66 HB2 LEU 66 16.219 6.182 -1.494 561 HB3 LEU 66 HB3 LEU 66 17.114 4.926 -0.660 562 HG LEU 66 HG LEU 66 14.956 4.173 -1.032 563 HD11 LEU 66 HD11 LEU 66 14.144 3.647 1.224 564 HD12 LEU 66 HD12 LEU 66 15.195 4.892 1.876 565 HD13 LEU 66 HD13 LEU 66 15.895 3.484 1.070 566 HD21 LEU 66 HD21 LEU 66 13.875 6.615 0.363 567 HD22 LEU 66 HD22 LEU 66 12.896 5.226 -0.122 568 HD23 LEU 66 HD23 LEU 66 13.704 6.201 -1.345 569 H ASN 67 H ASN 67 17.761 8.384 -1.057 570 HA ASN 67 HA ASN 67 20.473 8.045 -0.015 571 HB2 ASN 67 HB2 ASN 67 19.482 9.309 -2.616 572 HB3 ASN 67 HB3 ASN 67 21.160 9.276 -2.101 573 HD21 ASN 67 HD21 ASN 67 22.256 7.304 -2.108 574 HD22 ASN 67 HD22 ASN 67 21.724 5.956 -3.043 575 H LYS 68 H LYS 68 21.213 10.792 -0.836 576 HA LYS 68 HA LYS 68 19.174 12.415 0.279 577 HB2 LYS 68 HB2 LYS 68 20.068 11.584 2.315 578 HB3 LYS 68 HB3 LYS 68 21.738 12.017 1.895 579 HG2 LYS 68 HG2 LYS 68 20.870 13.585 3.498 580 HG3 LYS 68 HG3 LYS 68 20.951 14.411 1.941 581 HD2 LYS 68 HD2 LYS 68 18.825 14.963 2.900 582 HD3 LYS 68 HD3 LYS 68 18.564 13.785 1.610 583 HE2 LYS 68 HE2 LYS 68 18.428 11.978 3.280 584 HE3 LYS 68 HE3 LYS 68 18.638 13.173 4.560 585 HZ1 LYS 68 HZ1 LYS 68 16.551 14.235 3.753 586 HZ2 LYS 68 HZ2 LYS 68 16.327 12.671 4.286 587 HZ3 LYS 68 HZ3 LYS 68 16.397 12.972 2.641 Start of MODEL 16 1 H LYS 1 H LYS 1 -16.833 -20.882 2.324 2 HA LYS 1 HA LYS 1 -16.153 -19.163 4.616 3 HB2 LYS 1 HB2 LYS 1 -14.200 -20.624 4.888 4 HB3 LYS 1 HB3 LYS 1 -15.672 -21.574 5.019 5 HG2 LYS 1 HG2 LYS 1 -15.372 -22.391 2.752 6 HG3 LYS 1 HG3 LYS 1 -13.940 -21.381 2.558 7 HD2 LYS 1 HD2 LYS 1 -13.275 -23.665 3.014 8 HD3 LYS 1 HD3 LYS 1 -12.858 -22.651 4.389 9 HE2 LYS 1 HE2 LYS 1 -14.870 -23.422 5.562 10 HE3 LYS 1 HE3 LYS 1 -15.288 -24.423 4.172 11 HZ1 LYS 1 HZ1 LYS 1 -14.209 -25.696 5.907 12 HZ2 LYS 1 HZ2 LYS 1 -12.843 -24.708 5.829 13 HZ3 LYS 1 HZ3 LYS 1 -13.265 -25.692 4.521 14 HA PRO 2 HA PRO 2 -13.940 -16.938 1.516 15 HB2 PRO 2 HB2 PRO 2 -11.874 -15.903 2.964 16 HB3 PRO 2 HB3 PRO 2 -13.520 -15.281 3.093 17 HG2 PRO 2 HG2 PRO 2 -12.081 -17.183 4.890 18 HG3 PRO 2 HG3 PRO 2 -13.145 -15.828 5.312 19 HD2 PRO 2 HD2 PRO 2 -13.978 -18.414 5.334 20 HD3 PRO 2 HD3 PRO 2 -15.058 -17.061 4.951 21 H VAL 3 H VAL 3 -13.234 -18.622 0.237 22 HA VAL 3 HA VAL 3 -10.896 -20.116 1.004 23 HB VAL 3 HB VAL 3 -11.101 -21.257 -1.219 24 HG11 VAL 3 HG11 VAL 3 -13.646 -21.135 0.392 25 HG12 VAL 3 HG12 VAL 3 -12.251 -22.161 0.732 26 HG13 VAL 3 HG13 VAL 3 -13.201 -22.420 -0.729 27 HG21 VAL 3 HG21 VAL 3 -13.556 -19.529 -1.531 28 HG22 VAL 3 HG22 VAL 3 -13.064 -20.845 -2.599 29 HG23 VAL 3 HG23 VAL 3 -12.070 -19.393 -2.477 30 H SER 4 H SER 4 -8.879 -19.962 0.243 31 HA SER 4 HA SER 4 -7.019 -18.979 -0.471 32 HB2 SER 4 HB2 SER 4 -8.795 -17.683 -2.577 33 HB3 SER 4 HB3 SER 4 -7.031 -17.710 -2.617 34 HG SER 4 HG SER 4 -7.404 -20.103 -2.389 35 H LEU 5 H LEU 5 -5.829 -16.914 -0.369 36 HA LEU 5 HA LEU 5 -7.374 -14.707 0.674 37 HB2 LEU 5 HB2 LEU 5 -6.783 -16.189 2.627 38 HB3 LEU 5 HB3 LEU 5 -5.101 -15.949 2.246 39 HG LEU 5 HG LEU 5 -6.965 -13.713 3.112 40 HD11 LEU 5 HD11 LEU 5 -6.768 -15.349 4.876 41 HD12 LEU 5 HD12 LEU 5 -5.880 -13.887 5.292 42 HD13 LEU 5 HD13 LEU 5 -5.011 -15.319 4.739 43 HD21 LEU 5 HD21 LEU 5 -3.942 -13.842 3.000 44 HD22 LEU 5 HD22 LEU 5 -4.895 -12.486 3.603 45 HD23 LEU 5 HD23 LEU 5 -4.970 -12.928 1.897 46 H SER 6 H SER 6 -6.729 -13.050 -0.410 47 HA SER 6 HA SER 6 -3.903 -12.600 -0.699 48 HB2 SER 6 HB2 SER 6 -4.307 -11.678 -3.028 49 HB3 SER 6 HB3 SER 6 -4.486 -13.428 -2.897 50 HG SER 6 HG SER 6 -6.691 -13.178 -2.879 51 H TYR 7 H TYR 7 -3.748 -11.080 0.709 52 HA TYR 7 HA TYR 7 -5.695 -9.344 1.596 53 HB2 TYR 7 HB2 TYR 7 -3.632 -9.909 2.810 54 HB3 TYR 7 HB3 TYR 7 -2.689 -9.003 1.643 55 HD1 TYR 7 HD1 TYR 7 -5.201 -8.721 4.340 56 HD2 TYR 7 HD2 TYR 7 -2.440 -6.642 1.861 57 HE1 TYR 7 HE1 TYR 7 -5.445 -6.725 5.752 58 HE2 TYR 7 HE2 TYR 7 -2.675 -4.646 3.262 59 HH TYR 7 HH TYR 7 -4.385 -3.690 4.808 60 H ARG 8 H ARG 8 -6.640 -7.711 0.653 61 HA ARG 8 HA ARG 8 -5.528 -6.589 -1.715 62 HB2 ARG 8 HB2 ARG 8 -8.133 -6.174 -0.312 63 HB3 ARG 8 HB3 ARG 8 -7.595 -5.024 -1.528 64 HG2 ARG 8 HG2 ARG 8 -8.007 -7.980 -1.972 65 HG3 ARG 8 HG3 ARG 8 -9.102 -6.687 -2.491 66 HD2 ARG 8 HD2 ARG 8 -7.172 -5.700 -3.768 67 HD3 ARG 8 HD3 ARG 8 -6.269 -7.151 -3.372 68 HE ARG 8 HE ARG 8 -8.679 -7.837 -4.624 69 HH11 ARG 8 HH11 ARG 8 -5.408 -6.646 -5.204 70 HH12 ARG 8 HH12 ARG 8 -5.420 -6.892 -6.880 71 HH21 ARG 8 HH21 ARG 8 -8.701 -8.246 -6.967 72 HH22 ARG 8 HH22 ARG 8 -7.342 -7.801 -7.911 73 H CYS 9 H CYS 9 -4.996 -4.551 -2.162 74 HA CYS 9 HA CYS 9 -3.182 -3.385 -0.503 75 HB2 CYS 9 HB2 CYS 9 -4.731 -1.895 -2.617 76 HB3 CYS 9 HB3 CYS 9 -3.057 -1.712 -2.137 77 HA PRO 10 HA PRO 10 -5.919 -1.360 2.515 78 HB2 PRO 10 HB2 PRO 10 -3.466 0.239 3.026 79 HB3 PRO 10 HB3 PRO 10 -4.463 -0.676 4.162 80 HG2 PRO 10 HG2 PRO 10 -2.088 -1.599 3.424 81 HG3 PRO 10 HG3 PRO 10 -3.470 -2.691 3.616 82 HD2 PRO 10 HD2 PRO 10 -2.253 -1.616 1.103 83 HD3 PRO 10 HD3 PRO 10 -2.873 -3.242 1.463 84 H CYS 11 H CYS 11 -3.848 0.358 0.258 85 HA CYS 11 HA CYS 11 -5.498 2.722 0.501 86 HB2 CYS 11 HB2 CYS 11 -3.000 2.195 -1.111 87 HB3 CYS 11 HB3 CYS 11 -3.823 3.748 -0.974 88 H ARG 12 H ARG 12 -7.357 2.351 -0.491 89 HA ARG 12 HA ARG 12 -7.461 0.904 -2.985 90 HB2 ARG 12 HB2 ARG 12 -9.645 2.304 -1.434 91 HB3 ARG 12 HB3 ARG 12 -9.882 1.272 -2.840 92 HG2 ARG 12 HG2 ARG 12 -8.983 -0.630 -1.611 93 HG3 ARG 12 HG3 ARG 12 -8.722 0.398 -0.202 94 HD2 ARG 12 HD2 ARG 12 -11.135 0.820 -0.081 95 HD3 ARG 12 HD3 ARG 12 -11.383 -0.210 -1.489 96 HE ARG 12 HE ARG 12 -9.980 -1.674 0.419 97 HH11 ARG 12 HH11 ARG 12 -13.209 -0.291 0.033 98 HH12 ARG 12 HH12 ARG 12 -13.980 -1.442 1.013 99 HH21 ARG 12 HH21 ARG 12 -11.045 -3.285 1.761 100 HH22 ARG 12 HH22 ARG 12 -12.719 -3.179 1.999 101 H PHE 13 H PHE 13 -7.403 4.171 -1.887 102 HA PHE 13 HA PHE 13 -7.461 5.060 -4.640 103 HB2 PHE 13 HB2 PHE 13 -8.794 7.029 -4.043 104 HB3 PHE 13 HB3 PHE 13 -9.680 5.544 -3.737 105 HD1 PHE 13 HD1 PHE 13 -9.868 4.740 -1.458 106 HD2 PHE 13 HD2 PHE 13 -8.346 8.535 -2.369 107 HE1 PHE 13 HE1 PHE 13 -10.324 5.451 0.895 108 HE2 PHE 13 HE2 PHE 13 -8.769 9.307 -0.039 109 HZ PHE 13 HZ PHE 13 -9.761 7.750 1.589 110 H PHE 14 H PHE 14 -6.299 7.021 -4.960 111 HA PHE 14 HA PHE 14 -4.419 7.663 -2.788 112 HB2 PHE 14 HB2 PHE 14 -3.857 7.758 -5.756 113 HB3 PHE 14 HB3 PHE 14 -2.733 8.151 -4.470 114 HD1 PHE 14 HD1 PHE 14 -2.427 6.130 -2.724 115 HD2 PHE 14 HD2 PHE 14 -3.643 5.770 -6.775 116 HE1 PHE 14 HE1 PHE 14 -1.634 3.806 -2.749 117 HE2 PHE 14 HE2 PHE 14 -2.866 3.481 -6.827 118 HZ PHE 14 HZ PHE 14 -1.851 2.459 -4.806 119 H GLU 15 H GLU 15 -3.983 9.830 -2.499 120 HA GLU 15 HA GLU 15 -5.719 11.877 -3.378 121 HB2 GLU 15 HB2 GLU 15 -2.841 11.951 -2.530 122 HB3 GLU 15 HB3 GLU 15 -3.687 13.410 -3.011 123 HG2 GLU 15 HG2 GLU 15 -4.515 11.589 -0.791 124 HG3 GLU 15 HG3 GLU 15 -3.550 13.060 -0.586 125 H SER 16 H SER 16 -2.865 10.515 -4.753 126 HA SER 16 HA SER 16 -1.688 10.652 -6.576 127 HB2 SER 16 HB2 SER 16 -2.771 11.056 -8.781 128 HB3 SER 16 HB3 SER 16 -3.639 9.911 -7.769 129 HG SER 16 HG SER 16 -4.919 11.916 -7.142 130 H HIS 17 H HIS 17 -3.535 13.691 -6.537 131 HA HIS 17 HA HIS 17 -1.085 15.075 -7.292 132 HB2 HIS 17 HB2 HIS 17 -3.320 15.843 -8.146 133 HB3 HIS 17 HB3 HIS 17 -3.755 16.257 -6.489 134 HD1 HIS 17 HD1 HIS 17 -1.510 17.306 -9.292 135 HD2 HIS 17 HD2 HIS 17 -2.588 18.609 -5.500 136 HE1 HIS 17 HE1 HIS 17 -0.472 19.528 -9.055 137 HE2 HIS 17 HE2 HIS 17 -0.889 20.174 -6.650 138 H VAL 18 H VAL 18 0.315 14.773 -5.626 139 HA VAL 18 HA VAL 18 -0.532 15.891 -3.080 140 HB VAL 18 HB VAL 18 1.493 13.670 -3.417 141 HG11 VAL 18 HG11 VAL 18 1.232 13.400 -0.997 142 HG12 VAL 18 HG12 VAL 18 0.098 14.748 -0.978 143 HG13 VAL 18 HG13 VAL 18 1.777 15.024 -1.421 144 HG21 VAL 18 HG21 VAL 18 -0.727 12.891 -4.090 145 HG22 VAL 18 HG22 VAL 18 -1.378 13.431 -2.552 146 HG23 VAL 18 HG23 VAL 18 -0.205 12.106 -2.603 147 H ALA 19 H ALA 19 0.954 17.326 -2.213 148 HA ALA 19 HA ALA 19 3.359 17.793 -3.840 149 HB1 ALA 19 HB1 ALA 19 1.764 19.656 -3.888 150 HB2 ALA 19 HB2 ALA 19 3.266 20.119 -3.088 151 HB3 ALA 19 HB3 ALA 19 1.831 19.760 -2.130 152 H ARG 20 H ARG 20 5.316 17.811 -2.866 153 HA ARG 20 HA ARG 20 5.866 16.438 -0.549 154 HB2 ARG 20 HB2 ARG 20 7.546 16.913 -2.270 155 HB3 ARG 20 HB3 ARG 20 7.522 18.614 -1.844 156 HG2 ARG 20 HG2 ARG 20 9.489 17.595 -0.911 157 HG3 ARG 20 HG3 ARG 20 8.391 18.016 0.413 158 HD2 ARG 20 HD2 ARG 20 7.630 15.684 0.440 159 HD3 ARG 20 HD3 ARG 20 8.793 15.300 -0.822 160 HE ARG 20 HE ARG 20 9.561 16.267 1.866 161 HH11 ARG 20 HH11 ARG 20 10.271 14.222 -0.953 162 HH12 ARG 20 HH12 ARG 20 11.492 13.333 -0.167 163 HH21 ARG 20 HH21 ARG 20 11.223 15.046 2.921 164 HH22 ARG 20 HH22 ARG 20 12.047 13.798 2.112 165 H ALA 21 H ALA 21 5.463 19.931 -0.945 166 HA ALA 21 HA ALA 21 6.180 20.476 1.791 167 HB1 ALA 21 HB1 ALA 21 5.041 22.291 -0.272 168 HB2 ALA 21 HB2 ALA 21 6.771 22.005 0.003 169 HB3 ALA 21 HB3 ALA 21 5.775 22.775 1.256 170 H ASN 22 H ASN 22 3.335 19.428 0.368 171 HA ASN 22 HA ASN 22 1.716 20.805 2.393 172 HB2 ASN 22 HB2 ASN 22 0.888 20.889 0.028 173 HB3 ASN 22 HB3 ASN 22 0.794 19.137 0.021 174 HD21 ASN 22 HD21 ASN 22 -1.377 19.215 -0.430 175 HD22 ASN 22 HD22 ASN 22 -2.599 19.642 0.682 176 H VAL 23 H VAL 23 3.556 18.269 2.161 177 HA VAL 23 HA VAL 23 1.745 16.465 3.560 178 HB VAL 23 HB VAL 23 4.533 15.875 2.521 179 HG11 VAL 23 HG11 VAL 23 2.616 14.186 4.050 180 HG12 VAL 23 HG12 VAL 23 4.272 14.611 4.478 181 HG13 VAL 23 HG13 VAL 23 3.952 13.540 3.110 182 HG21 VAL 23 HG21 VAL 23 1.819 14.896 1.622 183 HG22 VAL 23 HG22 VAL 23 3.365 14.382 0.958 184 HG23 VAL 23 HG23 VAL 23 2.835 16.042 0.750 185 H LYS 24 H LYS 24 1.674 16.327 5.572 186 HA LYS 24 HA LYS 24 3.477 17.695 7.343 187 HB2 LYS 24 HB2 LYS 24 0.979 17.595 7.495 188 HB3 LYS 24 HB3 LYS 24 1.131 15.901 7.966 189 HG2 LYS 24 HG2 LYS 24 0.960 17.008 9.981 190 HG3 LYS 24 HG3 LYS 24 2.714 16.828 9.785 191 HD2 LYS 24 HD2 LYS 24 2.597 19.139 10.234 192 HD3 LYS 24 HD3 LYS 24 2.443 18.969 8.456 193 HE2 LYS 24 HE2 LYS 24 0.731 20.510 9.142 194 HE3 LYS 24 HE3 LYS 24 0.084 18.965 8.601 195 HZ1 LYS 24 HZ1 LYS 24 0.371 19.722 11.451 196 HZ2 LYS 24 HZ2 LYS 24 -0.250 18.288 10.889 197 HZ3 LYS 24 HZ3 LYS 24 -1.073 19.724 10.590 198 H HIS 25 H HIS 25 2.439 14.442 6.534 199 HA HIS 25 HA HIS 25 4.546 13.221 8.179 200 HB2 HIS 25 HB2 HIS 25 2.615 13.248 9.604 201 HB3 HIS 25 HB3 HIS 25 1.579 12.679 8.313 202 HD1 HIS 25 HD1 HIS 25 3.678 11.518 11.099 203 HD2 HIS 25 HD2 HIS 25 1.947 9.906 7.688 204 HE1 HIS 25 HE1 HIS 25 3.631 9.038 11.495 205 HE2 HIS 25 HE2 HIS 25 2.274 8.142 9.597 206 H LEU 26 H LEU 26 5.525 11.572 7.096 207 HA LEU 26 HA LEU 26 4.115 10.334 4.841 208 HB2 LEU 26 HB2 LEU 26 7.037 10.986 5.165 209 HB3 LEU 26 HB3 LEU 26 6.452 9.837 3.979 210 HG LEU 26 HG LEU 26 5.521 12.699 4.043 211 HD11 LEU 26 HD11 LEU 26 7.663 11.401 2.385 212 HD12 LEU 26 HD12 LEU 26 7.944 12.603 3.651 213 HD13 LEU 26 HD13 LEU 26 7.044 13.046 2.188 214 HD21 LEU 26 HD21 LEU 26 5.426 10.537 1.953 215 HD22 LEU 26 HD22 LEU 26 4.828 12.183 1.768 216 HD23 LEU 26 HD23 LEU 26 4.060 11.086 2.921 217 H LYS 27 H LYS 27 3.462 8.380 5.285 218 HA LYS 27 HA LYS 27 5.008 6.626 7.036 219 HB2 LYS 27 HB2 LYS 27 2.700 7.296 7.752 220 HB3 LYS 27 HB3 LYS 27 2.115 6.705 6.214 221 HG2 LYS 27 HG2 LYS 27 1.659 5.111 7.923 222 HG3 LYS 27 HG3 LYS 27 2.861 4.468 6.801 223 HD2 LYS 27 HD2 LYS 27 4.634 5.079 8.346 224 HD3 LYS 27 HD3 LYS 27 3.430 5.699 9.485 225 HE2 LYS 27 HE2 LYS 27 2.391 3.534 9.500 226 HE3 LYS 27 HE3 LYS 27 3.664 2.959 8.411 227 HZ1 LYS 27 HZ1 LYS 27 5.314 3.471 10.164 228 HZ2 LYS 27 HZ2 LYS 27 4.182 2.346 10.718 229 HZ3 LYS 27 HZ3 LYS 27 4.066 3.949 11.193 230 H ILE 28 H ILE 28 5.815 4.767 5.899 231 HA ILE 28 HA ILE 28 4.694 4.450 3.200 232 HB ILE 28 HB ILE 28 7.417 3.434 4.077 233 HG12 ILE 28 HG12 ILE 28 6.627 5.974 2.688 234 HG13 ILE 28 HG13 ILE 28 7.451 5.842 4.244 235 HG21 ILE 28 HG21 ILE 28 6.227 2.424 2.003 236 HG22 ILE 28 HG22 ILE 28 7.817 3.173 1.762 237 HG23 ILE 28 HG23 ILE 28 6.383 4.087 1.350 238 HD11 ILE 28 HD11 ILE 28 9.338 4.728 2.927 239 HD12 ILE 28 HD12 ILE 28 9.025 6.466 2.625 240 HD13 ILE 28 HD13 ILE 28 8.381 5.286 1.513 241 H LEU 29 H LEU 29 3.265 2.818 3.112 242 HA LEU 29 HA LEU 29 3.591 0.590 4.910 243 HB2 LEU 29 HB2 LEU 29 1.490 1.999 4.758 244 HB3 LEU 29 HB3 LEU 29 1.297 1.432 3.123 245 HG LEU 29 HG LEU 29 1.283 -0.341 5.534 246 HD11 LEU 29 HD11 LEU 29 -1.036 0.877 4.007 247 HD12 LEU 29 HD12 LEU 29 -0.563 1.269 5.659 248 HD13 LEU 29 HD13 LEU 29 -1.198 -0.331 5.281 249 HD21 LEU 29 HD21 LEU 29 0.132 -1.946 4.055 250 HD22 LEU 29 HD22 LEU 29 1.732 -1.523 3.442 251 HD23 LEU 29 HD23 LEU 29 0.288 -0.808 2.718 252 H ASN 30 H ASN 30 3.989 -1.442 4.110 253 HA ASN 30 HA ASN 30 4.218 -1.736 1.215 254 HB2 ASN 30 HB2 ASN 30 6.165 -3.255 1.547 255 HB3 ASN 30 HB3 ASN 30 6.495 -1.616 2.074 256 HD21 ASN 30 HD21 ASN 30 8.156 -2.229 3.379 257 HD22 ASN 30 HD22 ASN 30 7.977 -3.109 4.842 258 H THR 31 H THR 31 3.744 -3.803 0.349 259 HA THR 31 HA THR 31 2.404 -5.568 2.212 260 HB THR 31 HB THR 31 0.538 -5.731 0.364 261 HG1 THR 31 HG1 THR 31 2.012 -3.720 -0.504 262 HG21 THR 31 HG21 THR 31 0.678 -3.413 2.301 263 HG22 THR 31 HG22 THR 31 0.118 -5.038 2.685 264 HG23 THR 31 HG23 THR 31 -0.792 -4.034 1.556 265 HA PRO 32 HA PRO 32 4.228 -8.987 0.099 266 HB2 PRO 32 HB2 PRO 32 1.473 -10.125 0.074 267 HB3 PRO 32 HB3 PRO 32 2.956 -10.886 0.635 268 HG2 PRO 32 HG2 PRO 32 1.262 -9.986 2.401 269 HG3 PRO 32 HG3 PRO 32 2.983 -9.605 2.608 270 HD2 PRO 32 HD2 PRO 32 0.773 -7.861 1.592 271 HD3 PRO 32 HD3 PRO 32 2.103 -7.470 2.704 272 H ASN 33 H ASN 33 0.957 -8.394 -1.159 273 HA ASN 33 HA ASN 33 1.930 -9.067 -3.833 274 HB2 ASN 33 HB2 ASN 33 -0.511 -9.609 -4.291 275 HB3 ASN 33 HB3 ASN 33 0.366 -10.699 -3.221 276 HD21 ASN 33 HD21 ASN 33 -1.434 -11.415 -2.191 277 HD22 ASN 33 HD22 ASN 33 -2.306 -10.417 -1.076 278 H CYS 34 H CYS 34 1.123 -6.432 -2.094 279 HA CYS 34 HA CYS 34 0.169 -5.101 -4.507 280 HB2 CYS 34 HB2 CYS 34 -0.261 -4.290 -1.629 281 HB3 CYS 34 HB3 CYS 34 -0.636 -3.261 -2.998 282 H ALA 35 H ALA 35 0.908 -2.876 -4.741 283 HA ALA 35 HA ALA 35 3.763 -2.783 -4.505 284 HB1 ALA 35 HB1 ALA 35 3.509 -0.669 -5.728 285 HB2 ALA 35 HB2 ALA 35 1.763 -0.788 -5.481 286 HB3 ALA 35 HB3 ALA 35 2.581 -1.974 -6.494 287 H LEU 36 H LEU 36 4.570 -0.386 -3.985 288 HA LEU 36 HA LEU 36 4.148 -0.057 -1.229 289 HB2 LEU 36 HB2 LEU 36 5.683 1.585 -3.195 290 HB3 LEU 36 HB3 LEU 36 5.416 2.154 -1.563 291 HG LEU 36 HG LEU 36 7.578 1.183 -1.757 292 HD11 LEU 36 HD11 LEU 36 5.764 -0.587 -0.137 293 HD12 LEU 36 HD12 LEU 36 6.456 0.954 0.363 294 HD13 LEU 36 HD13 LEU 36 7.509 -0.425 0.062 295 HD21 LEU 36 HD21 LEU 36 6.144 -1.305 -2.528 296 HD22 LEU 36 HD22 LEU 36 7.884 -1.222 -2.221 297 HD23 LEU 36 HD23 LEU 36 7.178 -0.345 -3.598 298 H GLN 37 H GLN 37 3.233 1.254 -0.178 299 HA GLN 37 HA GLN 37 1.349 3.057 -1.455 300 HB2 GLN 37 HB2 GLN 37 0.718 0.916 0.521 301 HB3 GLN 37 HB3 GLN 37 -0.338 2.319 0.338 302 HG2 GLN 37 HG2 GLN 37 -0.889 1.792 -1.842 303 HG3 GLN 37 HG3 GLN 37 0.531 0.779 -2.060 304 HE21 GLN 37 HE21 GLN 37 0.519 -1.220 -1.394 305 HE22 GLN 37 HE22 GLN 37 -0.872 -2.088 -0.928 306 H ILE 38 H ILE 38 2.091 4.930 -0.828 307 HA ILE 38 HA ILE 38 3.187 5.194 1.848 308 HB ILE 38 HB ILE 38 3.344 7.182 -0.447 309 HG12 ILE 38 HG12 ILE 38 5.153 4.941 0.388 310 HG13 ILE 38 HG13 ILE 38 4.319 5.090 -1.139 311 HG21 ILE 38 HG21 ILE 38 5.254 8.073 0.852 312 HG22 ILE 38 HG22 ILE 38 4.979 6.824 2.063 313 HG23 ILE 38 HG23 ILE 38 3.777 8.098 1.829 314 HD11 ILE 38 HD11 ILE 38 5.744 7.125 -1.588 315 HD12 ILE 38 HD12 ILE 38 6.518 5.552 -1.545 316 HD13 ILE 38 HD13 ILE 38 6.705 6.621 -0.156 317 H VAL 39 H VAL 39 2.303 6.516 3.266 318 HA VAL 39 HA VAL 39 -0.303 7.699 2.524 319 HB VAL 39 HB VAL 39 0.495 6.583 5.235 320 HG11 VAL 39 HG11 VAL 39 -1.069 8.364 5.495 321 HG12 VAL 39 HG12 VAL 39 -1.850 6.837 5.850 322 HG13 VAL 39 HG13 VAL 39 -2.166 7.639 4.307 323 HG21 VAL 39 HG21 VAL 39 -1.100 4.778 4.804 324 HG22 VAL 39 HG22 VAL 39 0.218 4.776 3.635 325 HG23 VAL 39 HG23 VAL 39 -1.366 5.404 3.175 326 H ALA 40 H ALA 40 -0.579 9.841 2.923 327 HA ALA 40 HA ALA 40 1.432 11.064 4.656 328 HB1 ALA 40 HB1 ALA 40 1.684 12.874 3.130 329 HB2 ALA 40 HB2 ALA 40 0.533 12.093 2.011 330 HB3 ALA 40 HB3 ALA 40 2.089 11.338 2.380 331 H ARG 41 H ARG 41 0.817 12.888 5.659 332 HA ARG 41 HA ARG 41 -2.071 13.366 5.623 333 HB2 ARG 41 HB2 ARG 41 -0.946 12.651 7.804 334 HB3 ARG 41 HB3 ARG 41 -0.188 14.242 7.752 335 HG2 ARG 41 HG2 ARG 41 -2.237 15.357 7.907 336 HG3 ARG 41 HG3 ARG 41 -3.154 13.863 7.678 337 HD2 ARG 41 HD2 ARG 41 -2.169 12.953 9.595 338 HD3 ARG 41 HD3 ARG 41 -1.291 14.475 9.902 339 HE ARG 41 HE ARG 41 -4.154 14.771 9.696 340 HH11 ARG 41 HH11 ARG 41 -1.513 14.114 11.947 341 HH12 ARG 41 HH12 ARG 41 -2.377 14.516 13.344 342 HH21 ARG 41 HH21 ARG 41 -5.379 15.331 11.592 343 HH22 ARG 41 HH22 ARG 41 -4.666 15.250 13.137 344 H LEU 42 H LEU 42 -2.814 15.169 5.154 345 HA LEU 42 HA LEU 42 -0.991 17.006 3.847 346 HB2 LEU 42 HB2 LEU 42 -4.019 17.037 3.967 347 HB3 LEU 42 HB3 LEU 42 -3.040 18.127 3.004 348 HG LEU 42 HG LEU 42 -3.327 15.151 2.674 349 HD11 LEU 42 HD11 LEU 42 -5.199 16.407 1.862 350 HD12 LEU 42 HD12 LEU 42 -4.257 15.774 0.508 351 HD13 LEU 42 HD13 LEU 42 -4.104 17.471 0.964 352 HD21 LEU 42 HD21 LEU 42 -1.894 15.409 0.703 353 HD22 LEU 42 HD22 LEU 42 -1.047 15.767 2.211 354 HD23 LEU 42 HD23 LEU 42 -1.592 17.090 1.176 355 H LYS 43 H LYS 43 -0.436 18.957 4.466 356 HA LYS 43 HA LYS 43 -0.866 19.790 7.154 357 HB2 LYS 43 HB2 LYS 43 0.274 21.269 4.807 358 HB3 LYS 43 HB3 LYS 43 0.410 21.714 6.502 359 HG2 LYS 43 HG2 LYS 43 1.700 19.774 6.968 360 HG3 LYS 43 HG3 LYS 43 1.490 19.169 5.323 361 HD2 LYS 43 HD2 LYS 43 3.682 20.201 5.623 362 HD3 LYS 43 HD3 LYS 43 2.705 21.097 4.462 363 HE2 LYS 43 HE2 LYS 43 2.097 22.678 6.251 364 HE3 LYS 43 HE3 LYS 43 3.143 21.767 7.346 365 HZ1 LYS 43 HZ1 LYS 43 5.033 22.372 6.060 366 HZ2 LYS 43 HZ2 LYS 43 4.143 23.764 6.387 367 HZ3 LYS 43 HZ3 LYS 43 4.058 23.083 4.860 368 H ASN 44 H ASN 44 -2.023 20.913 4.010 369 HA ASN 44 HA ASN 44 -3.478 23.045 5.272 370 HB2 ASN 44 HB2 ASN 44 -3.321 22.229 2.370 371 HB3 ASN 44 HB3 ASN 44 -4.299 23.575 2.946 372 HD21 ASN 44 HD21 ASN 44 -1.055 22.419 2.384 373 HD22 ASN 44 HD22 ASN 44 -0.263 23.927 2.599 374 H ASN 45 H ASN 45 -4.268 20.010 3.784 375 HA ASN 45 HA ASN 45 -7.135 20.453 4.141 376 HB2 ASN 45 HB2 ASN 45 -5.676 18.028 3.099 377 HB3 ASN 45 HB3 ASN 45 -7.414 18.248 3.079 378 HD21 ASN 45 HD21 ASN 45 -7.502 18.004 0.909 379 HD22 ASN 45 HD22 ASN 45 -6.943 19.185 -0.213 380 H ASN 46 H ASN 46 -4.547 19.063 5.768 381 HA ASN 46 HA ASN 46 -4.228 18.017 7.694 382 HB2 ASN 46 HB2 ASN 46 -5.911 19.688 8.550 383 HB3 ASN 46 HB3 ASN 46 -7.159 18.467 8.324 384 HD21 ASN 46 HD21 ASN 46 -7.674 18.391 10.518 385 HD22 ASN 46 HD22 ASN 46 -6.621 17.710 11.693 386 H ARG 47 H ARG 47 -5.964 16.607 5.300 387 HA ARG 47 HA ARG 47 -6.848 14.306 6.833 388 HB2 ARG 47 HB2 ARG 47 -7.834 13.492 4.769 389 HB3 ARG 47 HB3 ARG 47 -8.244 15.184 5.052 390 HG2 ARG 47 HG2 ARG 47 -6.591 15.867 3.486 391 HG3 ARG 47 HG3 ARG 47 -6.157 14.177 3.188 392 HD2 ARG 47 HD2 ARG 47 -8.492 13.742 2.451 393 HD3 ARG 47 HD3 ARG 47 -8.846 15.454 2.680 394 HE ARG 47 HE ARG 47 -6.804 14.558 0.755 395 HH11 ARG 47 HH11 ARG 47 -9.783 16.379 1.423 396 HH12 ARG 47 HH12 ARG 47 -9.862 17.053 -0.120 397 HH21 ARG 47 HH21 ARG 47 -6.923 15.415 -1.285 398 HH22 ARG 47 HH22 ARG 47 -8.185 16.481 -1.763 399 H GLN 48 H GLN 48 -5.969 12.159 6.699 400 HA GLN 48 HA GLN 48 -3.351 12.114 5.496 401 HB2 GLN 48 HB2 GLN 48 -3.584 11.728 7.938 402 HB3 GLN 48 HB3 GLN 48 -4.524 10.270 7.579 403 HG2 GLN 48 HG2 GLN 48 -2.657 9.484 6.256 404 HG3 GLN 48 HG3 GLN 48 -1.768 10.922 6.750 405 HE21 GLN 48 HE21 GLN 48 -2.874 10.732 9.513 406 HE22 GLN 48 HE22 GLN 48 -2.018 9.426 10.232 407 H VAL 49 H VAL 49 -3.220 11.172 3.688 408 HA VAL 49 HA VAL 49 -5.114 9.032 2.977 409 HB VAL 49 HB VAL 49 -4.397 11.362 1.229 410 HG11 VAL 49 HG11 VAL 49 -4.896 9.381 -0.022 411 HG12 VAL 49 HG12 VAL 49 -6.239 10.523 -0.247 412 HG13 VAL 49 HG13 VAL 49 -6.414 9.134 0.841 413 HG21 VAL 49 HG21 VAL 49 -5.777 12.091 3.039 414 HG22 VAL 49 HG22 VAL 49 -6.990 10.867 2.676 415 HG23 VAL 49 HG23 VAL 49 -6.681 12.189 1.524 416 H CYS 50 H CYS 50 -4.367 7.795 1.164 417 HA CYS 50 HA CYS 50 -1.570 7.336 1.129 418 HB2 CYS 50 HB2 CYS 50 -3.796 6.175 -0.500 419 HB3 CYS 50 HB3 CYS 50 -2.138 5.584 -0.472 420 H ILE 51 H ILE 51 -0.151 7.724 -0.366 421 HA ILE 51 HA ILE 51 -0.744 9.651 -2.462 422 HB ILE 51 HB ILE 51 1.855 8.667 -1.263 423 HG12 ILE 51 HG12 ILE 51 0.486 11.335 -0.999 424 HG13 ILE 51 HG13 ILE 51 0.669 10.129 0.287 425 HG21 ILE 51 HG21 ILE 51 2.173 9.234 -3.551 426 HG22 ILE 51 HG22 ILE 51 2.909 10.449 -2.493 427 HG23 ILE 51 HG23 ILE 51 1.360 10.793 -3.279 428 HD11 ILE 51 HD11 ILE 51 2.848 11.604 -1.142 429 HD12 ILE 51 HD12 ILE 51 3.101 10.444 0.162 430 HD13 ILE 51 HD13 ILE 51 2.258 11.978 0.469 431 H ASP 52 H ASP 52 -0.146 9.185 -4.603 432 HA ASP 52 HA ASP 52 -0.051 6.455 -5.335 433 HB2 ASP 52 HB2 ASP 52 -1.244 7.770 -6.791 434 HB3 ASP 52 HB3 ASP 52 0.012 9.018 -6.913 435 HA PRO 53 HA PRO 53 4.415 6.194 -4.868 436 HB2 PRO 53 HB2 PRO 53 4.726 3.812 -6.186 437 HB3 PRO 53 HB3 PRO 53 4.190 3.962 -4.506 438 HG2 PRO 53 HG2 PRO 53 2.546 3.660 -6.990 439 HG3 PRO 53 HG3 PRO 53 2.396 2.783 -5.453 440 HD2 PRO 53 HD2 PRO 53 0.759 4.784 -5.981 441 HD3 PRO 53 HD3 PRO 53 1.488 4.631 -4.359 442 H LYS 54 H LYS 54 2.785 6.462 -7.895 443 HA LYS 54 HA LYS 54 5.241 6.281 -9.393 444 HB2 LYS 54 HB2 LYS 54 2.422 6.789 -10.337 445 HB3 LYS 54 HB3 LYS 54 3.815 6.683 -11.406 446 HG2 LYS 54 HG2 LYS 54 4.234 4.391 -10.621 447 HG3 LYS 54 HG3 LYS 54 2.815 4.500 -9.588 448 HD2 LYS 54 HD2 LYS 54 2.813 4.727 -12.595 449 HD3 LYS 54 HD3 LYS 54 2.392 3.266 -11.696 450 HE2 LYS 54 HE2 LYS 54 0.540 4.545 -10.620 451 HE3 LYS 54 HE3 LYS 54 0.959 5.919 -11.642 452 HZ1 LYS 54 HZ1 LYS 54 -0.862 4.747 -12.608 453 HZ2 LYS 54 HZ2 LYS 54 -0.047 3.275 -12.599 454 HZ3 LYS 54 HZ3 LYS 54 0.462 4.543 -13.597 455 H LEU 55 H LEU 55 3.751 8.690 -7.663 456 HA LEU 55 HA LEU 55 4.136 11.029 -9.154 457 HB2 LEU 55 HB2 LEU 55 4.302 10.392 -6.275 458 HB3 LEU 55 HB3 LEU 55 4.629 12.017 -6.795 459 HG LEU 55 HG LEU 55 2.025 10.487 -7.173 460 HD11 LEU 55 HD11 LEU 55 1.152 12.080 -5.579 461 HD12 LEU 55 HD12 LEU 55 2.736 12.848 -5.455 462 HD13 LEU 55 HD13 LEU 55 2.517 11.199 -4.885 463 HD21 LEU 55 HD21 LEU 55 2.480 12.066 -9.019 464 HD22 LEU 55 HD22 LEU 55 2.727 13.329 -7.797 465 HD23 LEU 55 HD23 LEU 55 1.150 12.585 -7.983 466 H LYS 56 H LYS 56 5.717 12.390 -9.556 467 HA LYS 56 HA LYS 56 8.260 11.247 -9.952 468 HB2 LYS 56 HB2 LYS 56 7.269 12.997 -11.406 469 HB3 LYS 56 HB3 LYS 56 7.449 14.154 -10.098 470 HG2 LYS 56 HG2 LYS 56 9.881 13.868 -10.178 471 HG3 LYS 56 HG3 LYS 56 9.693 12.721 -11.505 472 HD2 LYS 56 HD2 LYS 56 8.607 14.501 -12.840 473 HD3 LYS 56 HD3 LYS 56 8.901 15.631 -11.518 474 HE2 LYS 56 HE2 LYS 56 11.313 15.239 -11.726 475 HE3 LYS 56 HE3 LYS 56 11.013 14.127 -13.054 476 HZ1 LYS 56 HZ1 LYS 56 10.039 15.965 -14.301 477 HZ2 LYS 56 HZ2 LYS 56 11.636 16.298 -13.866 478 HZ3 LYS 56 HZ3 LYS 56 10.354 17.019 -13.034 479 H TRP 57 H TRP 57 6.987 13.499 -7.551 480 HA TRP 57 HA TRP 57 9.577 13.912 -6.410 481 HB2 TRP 57 HB2 TRP 57 8.507 15.199 -4.685 482 HB3 TRP 57 HB3 TRP 57 7.731 15.597 -6.207 483 HD1 TRP 57 HD1 TRP 57 5.100 14.848 -6.444 484 HE1 TRP 57 HE1 TRP 57 3.370 14.271 -4.601 485 HE3 TRP 57 HE3 TRP 57 8.231 14.015 -2.510 486 HZ2 TRP 57 HZ2 TRP 57 3.318 13.568 -1.985 487 HZ3 TRP 57 HZ3 TRP 57 7.283 13.386 -0.371 488 HH2 TRP 57 HH2 TRP 57 4.849 13.159 -0.079 489 H ILE 58 H ILE 58 7.057 11.630 -6.038 490 HA ILE 58 HA ILE 58 7.893 10.576 -3.564 491 HB ILE 58 HB ILE 58 6.127 9.563 -5.771 492 HG12 ILE 58 HG12 ILE 58 5.264 11.275 -4.266 493 HG13 ILE 58 HG13 ILE 58 4.373 9.764 -4.116 494 HG21 ILE 58 HG21 ILE 58 6.848 8.008 -3.304 495 HG22 ILE 58 HG22 ILE 58 7.158 7.562 -4.999 496 HG23 ILE 58 HG23 ILE 58 5.496 7.686 -4.392 497 HD11 ILE 58 HD11 ILE 58 4.769 10.772 -1.942 498 HD12 ILE 58 HD12 ILE 58 6.502 10.751 -2.217 499 HD13 ILE 58 HD13 ILE 58 5.605 9.232 -2.093 500 H GLN 59 H GLN 59 8.704 9.970 -6.896 501 HA GLN 59 HA GLN 59 10.316 7.700 -6.512 502 HB2 GLN 59 HB2 GLN 59 10.613 9.918 -8.537 503 HB3 GLN 59 HB3 GLN 59 11.398 8.348 -8.634 504 HG2 GLN 59 HG2 GLN 59 9.230 7.259 -8.812 505 HG3 GLN 59 HG3 GLN 59 8.424 8.821 -8.674 506 HE21 GLN 59 HE21 GLN 59 7.447 8.640 -10.684 507 HE22 GLN 59 HE22 GLN 59 8.356 8.762 -12.146 508 H GLU 60 H GLU 60 11.113 11.254 -6.372 509 HA GLU 60 HA GLU 60 13.761 11.131 -5.818 510 HB2 GLU 60 HB2 GLU 60 12.154 12.951 -6.530 511 HB3 GLU 60 HB3 GLU 60 11.603 12.999 -4.875 512 HG2 GLU 60 HG2 GLU 60 14.337 13.489 -5.824 513 HG3 GLU 60 HG3 GLU 60 13.080 14.721 -5.570 514 H TYR 61 H TYR 61 10.868 11.113 -3.781 515 HA TYR 61 HA TYR 61 12.086 11.015 -1.268 516 HB2 TYR 61 HB2 TYR 61 9.738 11.561 -1.514 517 HB3 TYR 61 HB3 TYR 61 9.413 9.982 -2.212 518 HD1 TYR 61 HD1 TYR 61 10.868 11.421 0.911 519 HD2 TYR 61 HD2 TYR 61 8.405 8.442 -0.849 520 HE1 TYR 61 HE1 TYR 61 10.310 10.569 3.151 521 HE2 TYR 61 HE2 TYR 61 7.841 7.564 1.335 522 HH TYR 61 HH TYR 61 8.583 9.312 4.223 523 H LEU 62 H LEU 62 10.976 8.379 -3.330 524 HA LEU 62 HA LEU 62 11.704 6.231 -1.647 525 HB2 LEU 62 HB2 LEU 62 11.385 6.348 -4.622 526 HB3 LEU 62 HB3 LEU 62 11.586 4.867 -3.702 527 HG LEU 62 HG LEU 62 9.296 6.802 -3.416 528 HD11 LEU 62 HD11 LEU 62 9.436 4.078 -4.661 529 HD12 LEU 62 HD12 LEU 62 9.236 5.622 -5.500 530 HD13 LEU 62 HD13 LEU 62 7.970 5.050 -4.410 531 HD21 LEU 62 HD21 LEU 62 8.340 5.005 -2.007 532 HD22 LEU 62 HD22 LEU 62 9.809 5.739 -1.343 533 HD23 LEU 62 HD23 LEU 62 9.897 4.168 -2.126 534 H GLU 63 H GLU 63 13.494 7.743 -4.204 535 HA GLU 63 HA GLU 63 15.667 5.935 -3.883 536 HB2 GLU 63 HB2 GLU 63 17.061 7.488 -5.213 537 HB3 GLU 63 HB3 GLU 63 15.522 7.135 -5.975 538 HG2 GLU 63 HG2 GLU 63 14.660 9.274 -5.249 539 HG3 GLU 63 HG3 GLU 63 16.180 9.625 -4.434 540 H LYS 64 H LYS 64 14.662 8.379 -1.844 541 HA LYS 64 HA LYS 64 17.317 8.457 -0.548 542 HB2 LYS 64 HB2 LYS 64 14.925 10.235 -0.052 543 HB3 LYS 64 HB3 LYS 64 16.525 10.415 0.652 544 HG2 LYS 64 HG2 LYS 64 15.820 10.726 -2.258 545 HG3 LYS 64 HG3 LYS 64 16.171 12.014 -1.110 546 HD2 LYS 64 HD2 LYS 64 18.445 11.209 -0.858 547 HD3 LYS 64 HD3 LYS 64 18.104 9.854 -1.941 548 HE2 LYS 64 HE2 LYS 64 17.649 11.399 -3.758 549 HE3 LYS 64 HE3 LYS 64 17.917 12.763 -2.682 550 HZ1 LYS 64 HZ1 LYS 64 20.212 12.055 -2.422 551 HZ2 LYS 64 HZ2 LYS 64 19.842 12.323 -4.050 552 HZ3 LYS 64 HZ3 LYS 64 19.943 10.747 -3.460 553 H ALA 65 H ALA 65 14.367 6.984 -0.433 554 HA ALA 65 HA ALA 65 14.436 6.478 2.445 555 HB1 ALA 65 HB1 ALA 65 12.233 6.848 1.349 556 HB2 ALA 65 HB2 ALA 65 12.354 5.235 2.067 557 HB3 ALA 65 HB3 ALA 65 12.549 5.428 0.336 558 H LEU 66 H LEU 66 14.817 4.937 -0.643 559 HA LEU 66 HA LEU 66 15.511 2.378 0.444 560 HB2 LEU 66 HB2 LEU 66 15.776 3.503 -2.340 561 HB3 LEU 66 HB3 LEU 66 15.966 1.798 -1.926 562 HG LEU 66 HG LEU 66 13.463 3.475 -1.884 563 HD11 LEU 66 HD11 LEU 66 12.664 1.903 -3.555 564 HD12 LEU 66 HD12 LEU 66 14.224 1.084 -3.523 565 HD13 LEU 66 HD13 LEU 66 14.113 2.760 -4.077 566 HD21 LEU 66 HD21 LEU 66 13.386 2.016 0.026 567 HD22 LEU 66 HD22 LEU 66 13.817 0.618 -0.966 568 HD23 LEU 66 HD23 LEU 66 12.264 1.429 -1.203 569 H ASN 67 H ASN 67 17.250 4.900 -1.409 570 HA ASN 67 HA ASN 67 19.777 3.901 -0.411 571 HB2 ASN 67 HB2 ASN 67 19.695 4.647 -2.756 572 HB3 ASN 67 HB3 ASN 67 19.126 6.229 -2.258 573 HD21 ASN 67 HD21 ASN 67 21.465 5.466 -3.829 574 HD22 ASN 67 HD22 ASN 67 22.837 6.126 -3.009 575 H LYS 68 H LYS 68 20.123 4.375 1.549 576 HA LYS 68 HA LYS 68 19.789 7.099 2.377 577 HB2 LYS 68 HB2 LYS 68 19.149 6.332 4.643 578 HB3 LYS 68 HB3 LYS 68 17.976 5.995 3.385 579 HG2 LYS 68 HG2 LYS 68 18.879 3.658 3.317 580 HG3 LYS 68 HG3 LYS 68 19.815 4.060 4.760 581 HD2 LYS 68 HD2 LYS 68 16.876 4.347 4.457 582 HD3 LYS 68 HD3 LYS 68 17.642 2.963 5.272 583 HE2 LYS 68 HE2 LYS 68 18.576 4.581 6.925 584 HE3 LYS 68 HE3 LYS 68 17.726 5.889 6.106 585 HZ1 LYS 68 HZ1 LYS 68 16.463 5.149 8.015 586 HZ2 LYS 68 HZ2 LYS 68 16.471 3.558 7.446 587 HZ3 LYS 68 HZ3 LYS 68 15.636 4.742 6.604 Start of MODEL 17 1 H LYS 1 H LYS 1 -24.977 -11.557 4.869 2 HA LYS 1 HA LYS 1 -25.392 -11.772 2.514 3 HB2 LYS 1 HB2 LYS 1 -23.756 -9.228 2.320 4 HB3 LYS 1 HB3 LYS 1 -24.332 -10.189 0.979 5 HG2 LYS 1 HG2 LYS 1 -26.616 -9.605 1.485 6 HG3 LYS 1 HG3 LYS 1 -26.098 -8.721 2.923 7 HD2 LYS 1 HD2 LYS 1 -24.747 -7.235 1.482 8 HD3 LYS 1 HD3 LYS 1 -25.370 -8.085 0.070 9 HE2 LYS 1 HE2 LYS 1 -27.638 -7.418 0.648 10 HE3 LYS 1 HE3 LYS 1 -27.039 -6.619 2.094 11 HZ1 LYS 1 HZ1 LYS 1 -25.818 -5.071 0.722 12 HZ2 LYS 1 HZ2 LYS 1 -27.442 -5.071 0.281 13 HZ3 LYS 1 HZ3 LYS 1 -26.315 -5.863 -0.681 14 HA PRO 2 HA PRO 2 -21.350 -13.722 2.632 15 HB2 PRO 2 HB2 PRO 2 -21.462 -13.849 -0.323 16 HB3 PRO 2 HB3 PRO 2 -21.348 -15.173 0.841 17 HG2 PRO 2 HG2 PRO 2 -23.608 -14.722 -0.518 18 HG3 PRO 2 HG3 PRO 2 -23.634 -15.262 1.170 19 HD2 PRO 2 HD2 PRO 2 -24.054 -12.506 0.063 20 HD3 PRO 2 HD3 PRO 2 -24.922 -13.362 1.361 21 H VAL 3 H VAL 3 -19.691 -12.391 3.007 22 HA VAL 3 HA VAL 3 -19.231 -10.123 1.242 23 HB VAL 3 HB VAL 3 -17.667 -9.292 2.964 24 HG11 VAL 3 HG11 VAL 3 -19.970 -8.585 3.033 25 HG12 VAL 3 HG12 VAL 3 -19.354 -8.774 4.676 26 HG13 VAL 3 HG13 VAL 3 -20.411 -10.005 3.979 27 HG21 VAL 3 HG21 VAL 3 -16.930 -11.424 3.897 28 HG22 VAL 3 HG22 VAL 3 -18.543 -11.719 4.543 29 HG23 VAL 3 HG23 VAL 3 -17.575 -10.383 5.169 30 H SER 4 H SER 4 -17.063 -9.544 0.648 31 HA SER 4 HA SER 4 -15.112 -11.651 0.616 32 HB2 SER 4 HB2 SER 4 -16.463 -12.101 -1.410 33 HB3 SER 4 HB3 SER 4 -16.217 -10.443 -1.939 34 HG SER 4 HG SER 4 -14.726 -12.546 -2.364 35 H LEU 5 H LEU 5 -13.652 -10.413 1.695 36 HA LEU 5 HA LEU 5 -13.016 -7.898 0.436 37 HB2 LEU 5 HB2 LEU 5 -11.984 -7.184 2.635 38 HB3 LEU 5 HB3 LEU 5 -13.716 -7.327 2.615 39 HG LEU 5 HG LEU 5 -13.421 -9.565 3.793 40 HD11 LEU 5 HD11 LEU 5 -11.092 -9.995 3.298 41 HD12 LEU 5 HD12 LEU 5 -11.364 -9.933 5.039 42 HD13 LEU 5 HD13 LEU 5 -10.615 -8.565 4.214 43 HD21 LEU 5 HD21 LEU 5 -12.503 -7.066 5.194 44 HD22 LEU 5 HD22 LEU 5 -13.108 -8.522 5.981 45 HD23 LEU 5 HD23 LEU 5 -14.172 -7.576 4.942 46 H SER 6 H SER 6 -11.135 -7.567 -0.446 47 HA SER 6 HA SER 6 -9.299 -9.820 -0.351 48 HB2 SER 6 HB2 SER 6 -10.213 -9.139 -2.567 49 HB3 SER 6 HB3 SER 6 -9.502 -7.550 -2.343 50 HG SER 6 HG SER 6 -7.825 -9.776 -2.124 51 H TYR 7 H TYR 7 -7.687 -9.551 1.093 52 HA TYR 7 HA TYR 7 -6.616 -6.929 1.597 53 HB2 TYR 7 HB2 TYR 7 -6.632 -8.582 3.459 54 HB3 TYR 7 HB3 TYR 7 -5.632 -9.667 2.498 55 HD1 TYR 7 HD1 TYR 7 -5.634 -6.326 4.130 56 HD2 TYR 7 HD2 TYR 7 -3.280 -9.517 2.592 57 HE1 TYR 7 HE1 TYR 7 -3.617 -5.278 5.065 58 HE2 TYR 7 HE2 TYR 7 -1.251 -8.479 3.525 59 HH TYR 7 HH TYR 7 -1.416 -5.889 5.748 60 H ARG 8 H ARG 8 -5.554 -6.090 0.000 61 HA ARG 8 HA ARG 8 -3.649 -7.755 -1.461 62 HB2 ARG 8 HB2 ARG 8 -5.746 -7.382 -2.741 63 HB3 ARG 8 HB3 ARG 8 -5.461 -5.657 -2.637 64 HG2 ARG 8 HG2 ARG 8 -3.455 -5.874 -3.972 65 HG3 ARG 8 HG3 ARG 8 -3.651 -7.633 -4.008 66 HD2 ARG 8 HD2 ARG 8 -5.546 -5.588 -5.156 67 HD3 ARG 8 HD3 ARG 8 -4.519 -6.701 -6.065 68 HE ARG 8 HE ARG 8 -5.997 -8.328 -4.466 69 HH11 ARG 8 HH11 ARG 8 -6.841 -5.890 -6.867 70 HH12 ARG 8 HH12 ARG 8 -8.332 -6.575 -7.268 71 HH21 ARG 8 HH21 ARG 8 -8.018 -9.271 -4.943 72 HH22 ARG 8 HH22 ARG 8 -9.042 -8.608 -6.121 73 H CYS 9 H CYS 9 -1.929 -7.043 -0.484 74 HA CYS 9 HA CYS 9 -0.147 -5.795 -0.003 75 HB2 CYS 9 HB2 CYS 9 -1.434 -3.460 -1.502 76 HB3 CYS 9 HB3 CYS 9 0.253 -3.666 -1.105 77 HA PRO 10 HA PRO 10 -1.246 -3.716 3.800 78 HB2 PRO 10 HB2 PRO 10 0.687 -1.547 3.187 79 HB3 PRO 10 HB3 PRO 10 0.606 -2.601 4.600 80 HG2 PRO 10 HG2 PRO 10 2.494 -2.974 2.767 81 HG3 PRO 10 HG3 PRO 10 1.687 -4.347 3.534 82 HD2 PRO 10 HD2 PRO 10 1.266 -3.185 0.815 83 HD3 PRO 10 HD3 PRO 10 1.293 -4.888 1.327 84 H CYS 11 H CYS 11 -0.940 -1.779 0.916 85 HA CYS 11 HA CYS 11 -3.132 -0.113 1.850 86 HB2 CYS 11 HB2 CYS 11 -0.850 0.584 0.022 87 HB3 CYS 11 HB3 CYS 11 -2.278 1.594 0.231 88 H ARG 12 H ARG 12 -4.893 -0.737 0.938 89 HA ARG 12 HA ARG 12 -4.866 -1.911 -1.712 90 HB2 ARG 12 HB2 ARG 12 -6.157 -3.019 0.039 91 HB3 ARG 12 HB3 ARG 12 -7.073 -1.551 0.324 92 HG2 ARG 12 HG2 ARG 12 -8.107 -1.739 -1.842 93 HG3 ARG 12 HG3 ARG 12 -7.088 -3.130 -2.232 94 HD2 ARG 12 HD2 ARG 12 -9.348 -3.806 -1.531 95 HD3 ARG 12 HD3 ARG 12 -8.099 -4.411 -0.446 96 HE ARG 12 HE ARG 12 -9.485 -1.938 0.233 97 HH11 ARG 12 HH11 ARG 12 -8.896 -5.374 0.898 98 HH12 ARG 12 HH12 ARG 12 -9.632 -5.348 2.435 99 HH21 ARG 12 HH21 ARG 12 -10.517 -1.932 2.363 100 HH22 ARG 12 HH22 ARG 12 -10.599 -3.361 3.283 101 H PHE 13 H PHE 13 -4.836 -0.531 -3.296 102 HA PHE 13 HA PHE 13 -5.209 1.156 -4.667 103 HB2 PHE 13 HB2 PHE 13 -7.609 1.839 -2.953 104 HB3 PHE 13 HB3 PHE 13 -7.225 2.604 -4.480 105 HD1 PHE 13 HD1 PHE 13 -7.108 1.125 -6.556 106 HD2 PHE 13 HD2 PHE 13 -8.884 -0.114 -2.904 107 HE1 PHE 13 HE1 PHE 13 -8.359 -0.611 -7.761 108 HE2 PHE 13 HE2 PHE 13 -10.142 -1.865 -4.098 109 HZ PHE 13 HZ PHE 13 -9.879 -2.114 -6.531 110 H PHE 14 H PHE 14 -4.311 2.972 -4.986 111 HA PHE 14 HA PHE 14 -3.356 4.485 -2.651 112 HB2 PHE 14 HB2 PHE 14 -2.297 4.476 -5.489 113 HB3 PHE 14 HB3 PHE 14 -1.587 5.306 -4.116 114 HD1 PHE 14 HD1 PHE 14 -0.819 3.813 -2.146 115 HD2 PHE 14 HD2 PHE 14 -1.583 2.373 -6.070 116 HE1 PHE 14 HE1 PHE 14 0.591 1.852 -1.695 117 HE2 PHE 14 HE2 PHE 14 -0.184 0.413 -5.638 118 HZ PHE 14 HZ PHE 14 0.913 0.143 -3.440 119 H GLU 15 H GLU 15 -3.603 6.808 -2.695 120 HA GLU 15 HA GLU 15 -5.940 7.664 -3.871 121 HB2 GLU 15 HB2 GLU 15 -5.075 8.706 -1.938 122 HB3 GLU 15 HB3 GLU 15 -3.630 9.244 -2.795 123 HG2 GLU 15 HG2 GLU 15 -4.910 10.642 -4.175 124 HG3 GLU 15 HG3 GLU 15 -6.405 9.998 -3.487 125 H SER 16 H SER 16 -2.549 7.976 -4.829 126 HA SER 16 HA SER 16 -1.445 8.678 -6.576 127 HB2 SER 16 HB2 SER 16 -2.343 8.090 -8.851 128 HB3 SER 16 HB3 SER 16 -2.371 6.774 -7.685 129 HG SER 16 HG SER 16 -4.690 8.010 -7.476 130 H HIS 17 H HIS 17 -3.437 10.535 -5.354 131 HA HIS 17 HA HIS 17 -3.052 12.715 -7.301 132 HB2 HIS 17 HB2 HIS 17 -5.493 11.791 -7.094 133 HB3 HIS 17 HB3 HIS 17 -5.455 12.481 -5.480 134 HD1 HIS 17 HD1 HIS 17 -5.278 13.499 -9.094 135 HD2 HIS 17 HD2 HIS 17 -5.842 15.236 -5.363 136 HE1 HIS 17 HE1 HIS 17 -5.906 15.858 -9.552 137 HE2 HIS 17 HE2 HIS 17 -5.896 16.940 -7.265 138 H VAL 18 H VAL 18 -1.445 11.738 -5.159 139 HA VAL 18 HA VAL 18 -2.063 13.391 -2.864 140 HB VAL 18 HB VAL 18 0.212 11.430 -3.209 141 HG11 VAL 18 HG11 VAL 18 0.262 11.450 -0.753 142 HG12 VAL 18 HG12 VAL 18 -1.022 12.653 -0.751 143 HG13 VAL 18 HG13 VAL 18 0.552 13.046 -1.441 144 HG21 VAL 18 HG21 VAL 18 -1.896 10.246 -3.489 145 HG22 VAL 18 HG22 VAL 18 -2.529 10.969 -2.025 146 HG23 VAL 18 HG23 VAL 18 -1.188 9.829 -1.927 147 H ALA 19 H ALA 19 -1.140 15.270 -2.632 148 HA ALA 19 HA ALA 19 1.120 15.962 -4.365 149 HB1 ALA 19 HB1 ALA 19 -0.914 17.285 -4.667 150 HB2 ALA 19 HB2 ALA 19 0.402 18.280 -4.044 151 HB3 ALA 19 HB3 ALA 19 -0.878 17.731 -2.964 152 H ARG 20 H ARG 20 2.982 16.709 -3.528 153 HA ARG 20 HA ARG 20 3.914 16.041 -1.020 154 HB2 ARG 20 HB2 ARG 20 5.326 16.506 -2.941 155 HB3 ARG 20 HB3 ARG 20 4.834 18.185 -2.930 156 HG2 ARG 20 HG2 ARG 20 7.076 17.893 -2.078 157 HG3 ARG 20 HG3 ARG 20 6.013 18.509 -0.803 158 HD2 ARG 20 HD2 ARG 20 5.896 16.287 0.148 159 HD3 ARG 20 HD3 ARG 20 6.835 15.658 -1.214 160 HE ARG 20 HE ARG 20 8.369 17.656 -0.170 161 HH11 ARG 20 HH11 ARG 20 7.062 14.693 1.240 162 HH12 ARG 20 HH12 ARG 20 8.421 14.440 2.260 163 HH21 ARG 20 HH21 ARG 20 10.171 17.293 1.198 164 HH22 ARG 20 HH22 ARG 20 10.227 15.926 2.221 165 H ALA 21 H ALA 21 2.364 19.015 -2.069 166 HA ALA 21 HA ALA 21 2.993 20.545 0.249 167 HB1 ALA 21 HB1 ALA 21 0.786 20.896 -1.736 168 HB2 ALA 21 HB2 ALA 21 2.416 21.562 -1.898 169 HB3 ALA 21 HB3 ALA 21 1.353 22.111 -0.586 170 H ASN 22 H ASN 22 0.462 18.265 -0.515 171 HA ASN 22 HA ASN 22 -1.145 19.165 1.758 172 HB2 ASN 22 HB2 ASN 22 -2.298 18.732 -0.417 173 HB3 ASN 22 HB3 ASN 22 -1.757 17.066 -0.362 174 HD21 ASN 22 HD21 ASN 22 -3.884 16.296 -0.449 175 HD22 ASN 22 HD22 ASN 22 -4.965 16.409 0.886 176 H VAL 23 H VAL 23 1.446 17.385 1.473 177 HA VAL 23 HA VAL 23 0.455 15.199 3.141 178 HB VAL 23 HB VAL 23 3.203 15.407 1.881 179 HG11 VAL 23 HG11 VAL 23 1.941 13.391 3.611 180 HG12 VAL 23 HG12 VAL 23 3.442 14.249 3.871 181 HG13 VAL 23 HG13 VAL 23 3.345 13.030 2.586 182 HG21 VAL 23 HG21 VAL 23 0.857 13.631 1.225 183 HG22 VAL 23 HG22 VAL 23 2.442 13.579 0.460 184 HG23 VAL 23 HG23 VAL 23 1.410 14.988 0.249 185 H LYS 24 H LYS 24 0.620 15.162 5.202 186 HA LYS 24 HA LYS 24 1.908 17.191 6.771 187 HB2 LYS 24 HB2 LYS 24 -0.329 16.231 7.080 188 HB3 LYS 24 HB3 LYS 24 0.385 14.678 7.516 189 HG2 LYS 24 HG2 LYS 24 -0.001 15.565 9.577 190 HG3 LYS 24 HG3 LYS 24 1.610 16.242 9.286 191 HD2 LYS 24 HD2 LYS 24 0.417 18.193 9.834 192 HD3 LYS 24 HD3 LYS 24 0.308 18.006 8.055 193 HE2 LYS 24 HE2 LYS 24 -1.906 18.590 8.956 194 HE3 LYS 24 HE3 LYS 24 -1.837 16.988 8.208 195 HZ1 LYS 24 HZ1 LYS 24 -1.735 17.477 11.130 196 HZ2 LYS 24 HZ2 LYS 24 -1.745 15.985 10.400 197 HZ3 LYS 24 HZ3 LYS 24 -3.096 16.979 10.289 198 H HIS 25 H HIS 25 2.084 13.704 6.247 199 HA HIS 25 HA HIS 25 4.726 13.449 7.486 200 HB2 HIS 25 HB2 HIS 25 3.381 13.042 9.402 201 HB3 HIS 25 HB3 HIS 25 2.162 12.191 8.476 202 HD1 HIS 25 HD1 HIS 25 5.183 11.653 10.520 203 HD2 HIS 25 HD2 HIS 25 2.918 9.501 7.788 204 HE1 HIS 25 HE1 HIS 25 5.815 9.243 10.870 205 HE2 HIS 25 HE2 HIS 25 4.142 7.985 9.483 206 H LEU 26 H LEU 26 5.888 11.663 6.604 207 HA LEU 26 HA LEU 26 4.384 9.927 4.793 208 HB2 LEU 26 HB2 LEU 26 7.184 10.948 4.297 209 HB3 LEU 26 HB3 LEU 26 6.318 9.820 3.270 210 HG LEU 26 HG LEU 26 4.673 11.792 3.041 211 HD11 LEU 26 HD11 LEU 26 7.180 13.252 3.854 212 HD12 LEU 26 HD12 LEU 26 5.637 13.251 4.709 213 HD13 LEU 26 HD13 LEU 26 5.764 13.992 3.111 214 HD21 LEU 26 HD21 LEU 26 7.358 11.771 1.690 215 HD22 LEU 26 HD22 LEU 26 5.940 12.648 1.119 216 HD23 LEU 26 HD23 LEU 26 5.916 10.885 1.192 217 H LYS 27 H LYS 27 4.940 7.821 4.817 218 HA LYS 27 HA LYS 27 7.141 6.916 6.530 219 HB2 LYS 27 HB2 LYS 27 4.869 6.917 7.776 220 HB3 LYS 27 HB3 LYS 27 4.319 5.798 6.578 221 HG2 LYS 27 HG2 LYS 27 6.678 5.182 8.355 222 HG3 LYS 27 HG3 LYS 27 5.005 4.815 8.774 223 HD2 LYS 27 HD2 LYS 27 6.329 3.799 6.259 224 HD3 LYS 27 HD3 LYS 27 6.356 2.906 7.778 225 HE2 LYS 27 HE2 LYS 27 3.830 3.800 6.370 226 HE3 LYS 27 HE3 LYS 27 4.538 2.203 6.195 227 HZ1 LYS 27 HZ1 LYS 27 4.204 1.786 8.506 228 HZ2 LYS 27 HZ2 LYS 27 2.761 2.252 7.838 229 HZ3 LYS 27 HZ3 LYS 27 3.612 3.345 8.796 230 H ILE 28 H ILE 28 8.295 5.403 5.358 231 HA ILE 28 HA ILE 28 6.962 4.425 2.946 232 HB ILE 28 HB ILE 28 9.946 4.328 3.476 233 HG12 ILE 28 HG12 ILE 28 8.266 6.355 2.046 234 HG13 ILE 28 HG13 ILE 28 9.280 6.642 3.467 235 HG21 ILE 28 HG21 ILE 28 8.738 2.837 1.666 236 HG22 ILE 28 HG22 ILE 28 10.101 3.888 1.126 237 HG23 ILE 28 HG23 ILE 28 8.489 4.461 0.938 238 HD11 ILE 28 HD11 ILE 28 11.233 5.932 1.959 239 HD12 ILE 28 HD12 ILE 28 10.425 7.487 1.579 240 HD13 ILE 28 HD13 ILE 28 9.990 6.059 0.679 241 H LEU 29 H LEU 29 6.383 2.412 2.790 242 HA LEU 29 HA LEU 29 7.621 0.425 4.528 243 HB2 LEU 29 HB2 LEU 29 5.342 0.822 5.115 244 HB3 LEU 29 HB3 LEU 29 4.812 0.703 3.458 245 HG LEU 29 HG LEU 29 5.412 -1.716 3.524 246 HD11 LEU 29 HD11 LEU 29 5.783 -2.768 5.687 247 HD12 LEU 29 HD12 LEU 29 5.822 -1.185 6.461 248 HD13 LEU 29 HD13 LEU 29 7.076 -1.637 5.305 249 HD21 LEU 29 HD21 LEU 29 3.144 -0.950 3.877 250 HD22 LEU 29 HD22 LEU 29 3.465 -0.746 5.597 251 HD23 LEU 29 HD23 LEU 29 3.492 -2.357 4.882 252 H ASN 30 H ASN 30 8.234 -1.484 3.492 253 HA ASN 30 HA ASN 30 8.089 -1.405 0.567 254 HB2 ASN 30 HB2 ASN 30 10.015 -2.944 0.545 255 HB3 ASN 30 HB3 ASN 30 10.401 -1.481 1.439 256 HD21 ASN 30 HD21 ASN 30 10.673 -1.601 3.674 257 HD22 ASN 30 HD22 ASN 30 10.903 -3.109 4.477 258 H THR 31 H THR 31 7.317 -3.193 -0.556 259 HA THR 31 HA THR 31 6.379 -5.410 1.043 260 HB THR 31 HB THR 31 4.640 -3.913 -0.927 261 HG1 THR 31 HG1 THR 31 5.195 -3.481 1.666 262 HG21 THR 31 HG21 THR 31 4.013 -6.164 0.993 263 HG22 THR 31 HG22 THR 31 4.167 -6.325 -0.756 264 HG23 THR 31 HG23 THR 31 2.854 -5.367 -0.072 265 HA PRO 32 HA PRO 32 8.768 -7.722 -1.886 266 HB2 PRO 32 HB2 PRO 32 6.332 -9.423 -1.574 267 HB3 PRO 32 HB3 PRO 32 8.028 -9.921 -1.661 268 HG2 PRO 32 HG2 PRO 32 6.817 -9.685 0.686 269 HG3 PRO 32 HG3 PRO 32 8.496 -9.166 0.482 270 HD2 PRO 32 HD2 PRO 32 6.068 -7.532 0.870 271 HD3 PRO 32 HD3 PRO 32 7.767 -7.107 1.162 272 H ASN 33 H ASN 33 5.312 -8.243 -2.738 273 HA ASN 33 HA ASN 33 6.183 -7.869 -5.511 274 HB2 ASN 33 HB2 ASN 33 4.213 -9.130 -6.234 275 HB3 ASN 33 HB3 ASN 33 5.171 -10.054 -5.091 276 HD21 ASN 33 HD21 ASN 33 4.302 -10.541 -3.077 277 HD22 ASN 33 HD22 ASN 33 2.635 -10.318 -2.727 278 H CYS 34 H CYS 34 4.900 -5.957 -3.288 279 HA CYS 34 HA CYS 34 2.934 -4.781 -5.139 280 HB2 CYS 34 HB2 CYS 34 3.209 -4.374 -2.170 281 HB3 CYS 34 HB3 CYS 34 2.024 -3.583 -3.198 282 H ALA 35 H ALA 35 6.056 -4.434 -4.549 283 HA ALA 35 HA ALA 35 7.605 -2.809 -4.811 284 HB1 ALA 35 HB1 ALA 35 6.995 -0.784 -6.093 285 HB2 ALA 35 HB2 ALA 35 5.285 -1.162 -5.878 286 HB3 ALA 35 HB3 ALA 35 6.302 -2.224 -6.843 287 H LEU 36 H LEU 36 7.357 0.020 -4.410 288 HA LEU 36 HA LEU 36 7.291 -0.059 -1.594 289 HB2 LEU 36 HB2 LEU 36 7.800 2.227 -3.445 290 HB3 LEU 36 HB3 LEU 36 7.550 2.494 -1.729 291 HG LEU 36 HG LEU 36 9.889 2.439 -2.220 292 HD11 LEU 36 HD11 LEU 36 9.060 -0.078 -0.797 293 HD12 LEU 36 HD12 LEU 36 9.139 1.521 -0.071 294 HD13 LEU 36 HD13 LEU 36 10.611 0.728 -0.638 295 HD21 LEU 36 HD21 LEU 36 9.313 -0.280 -3.256 296 HD22 LEU 36 HD22 LEU 36 10.953 0.368 -3.050 297 HD23 LEU 36 HD23 LEU 36 9.835 1.094 -4.230 298 H GLN 37 H GLN 37 6.158 0.690 -0.214 299 HA GLN 37 HA GLN 37 3.381 1.295 -0.953 300 HB2 GLN 37 HB2 GLN 37 4.352 -0.898 0.310 301 HB3 GLN 37 HB3 GLN 37 4.152 0.176 1.672 302 HG2 GLN 37 HG2 GLN 37 2.250 -1.218 1.466 303 HG3 GLN 37 HG3 GLN 37 1.811 0.452 1.074 304 HE21 GLN 37 HE21 GLN 37 3.608 -1.474 -1.215 305 HE22 GLN 37 HE22 GLN 37 2.331 -1.658 -2.348 306 H ILE 38 H ILE 38 3.793 3.574 -0.842 307 HA ILE 38 HA ILE 38 5.096 4.472 1.596 308 HB ILE 38 HB ILE 38 4.480 6.131 -0.882 309 HG12 ILE 38 HG12 ILE 38 6.939 4.679 0.048 310 HG13 ILE 38 HG13 ILE 38 6.028 4.365 -1.415 311 HG21 ILE 38 HG21 ILE 38 6.066 7.731 0.126 312 HG22 ILE 38 HG22 ILE 38 6.288 6.633 1.489 313 HG23 ILE 38 HG23 ILE 38 4.728 7.428 1.244 314 HD11 ILE 38 HD11 ILE 38 6.723 6.616 -2.234 315 HD12 ILE 38 HD12 ILE 38 8.048 5.472 -1.992 316 HD13 ILE 38 HD13 ILE 38 7.764 6.745 -0.804 317 H VAL 39 H VAL 39 4.117 5.665 3.054 318 HA VAL 39 HA VAL 39 1.219 6.045 2.692 319 HB VAL 39 HB VAL 39 2.752 5.396 5.224 320 HG11 VAL 39 HG11 VAL 39 0.900 6.835 5.720 321 HG12 VAL 39 HG12 VAL 39 0.540 5.208 6.281 322 HG13 VAL 39 HG13 VAL 39 -0.216 5.821 4.802 323 HG21 VAL 39 HG21 VAL 39 1.553 3.258 5.150 324 HG22 VAL 39 HG22 VAL 39 2.559 3.489 3.720 325 HG23 VAL 39 HG23 VAL 39 0.816 3.728 3.617 326 H ALA 40 H ALA 40 0.441 8.038 3.123 327 HA ALA 40 HA ALA 40 2.179 9.840 4.593 328 HB1 ALA 40 HB1 ALA 40 1.722 11.643 3.094 329 HB2 ALA 40 HB2 ALA 40 0.749 10.591 2.060 330 HB3 ALA 40 HB3 ALA 40 2.491 10.314 2.265 331 H ARG 41 H ARG 41 1.082 11.670 5.362 332 HA ARG 41 HA ARG 41 -1.720 11.089 6.031 333 HB2 ARG 41 HB2 ARG 41 0.029 11.059 7.869 334 HB3 ARG 41 HB3 ARG 41 0.252 12.772 7.584 335 HG2 ARG 41 HG2 ARG 41 -1.162 12.365 9.465 336 HG3 ARG 41 HG3 ARG 41 -2.131 13.139 8.179 337 HD2 ARG 41 HD2 ARG 41 -2.922 11.009 7.566 338 HD3 ARG 41 HD3 ARG 41 -1.944 10.208 8.809 339 HE ARG 41 HE ARG 41 -4.044 12.169 9.465 340 HH11 ARG 41 HH11 ARG 41 -2.619 8.943 9.958 341 HH12 ARG 41 HH12 ARG 41 -3.864 8.392 10.952 342 HH21 ARG 41 HH21 ARG 41 -5.765 11.387 10.855 343 HH22 ARG 41 HH22 ARG 41 -5.686 9.817 11.500 344 H LEU 42 H LEU 42 -3.194 12.720 5.428 345 HA LEU 42 HA LEU 42 -2.032 14.863 3.880 346 HB2 LEU 42 HB2 LEU 42 -4.902 14.087 4.315 347 HB3 LEU 42 HB3 LEU 42 -4.370 15.372 3.236 348 HG LEU 42 HG LEU 42 -3.886 12.412 2.971 349 HD11 LEU 42 HD11 LEU 42 -6.059 13.135 2.277 350 HD12 LEU 42 HD12 LEU 42 -5.083 12.685 0.878 351 HD13 LEU 42 HD13 LEU 42 -5.344 14.387 1.254 352 HD21 LEU 42 HD21 LEU 42 -2.694 12.934 0.895 353 HD22 LEU 42 HD22 LEU 42 -1.865 13.539 2.331 354 HD23 LEU 42 HD23 LEU 42 -2.775 14.656 1.303 355 H LYS 43 H LYS 43 -2.358 17.032 4.104 356 HA LYS 43 HA LYS 43 -2.566 17.992 6.814 357 HB2 LYS 43 HB2 LYS 43 -2.063 19.461 4.241 358 HB3 LYS 43 HB3 LYS 43 -1.899 20.109 5.869 359 HG2 LYS 43 HG2 LYS 43 -0.124 18.555 6.347 360 HG3 LYS 43 HG3 LYS 43 -0.309 17.818 4.759 361 HD2 LYS 43 HD2 LYS 43 1.587 19.328 4.797 362 HD3 LYS 43 HD3 LYS 43 0.331 19.952 3.727 363 HE2 LYS 43 HE2 LYS 43 -0.417 21.451 5.501 364 HE3 LYS 43 HE3 LYS 43 0.840 20.788 6.554 365 HZ1 LYS 43 HZ1 LYS 43 2.518 21.657 5.126 366 HZ2 LYS 43 HZ2 LYS 43 1.478 22.917 5.493 367 HZ3 LYS 43 HZ3 LYS 43 1.407 22.165 3.975 368 H ASN 44 H ASN 44 -4.435 18.365 3.821 369 HA ASN 44 HA ASN 44 -6.083 20.372 5.015 370 HB2 ASN 44 HB2 ASN 44 -6.310 18.917 2.395 371 HB3 ASN 44 HB3 ASN 44 -7.487 20.111 2.924 372 HD21 ASN 44 HD21 ASN 44 -7.013 21.421 1.187 373 HD22 ASN 44 HD22 ASN 44 -5.551 22.339 1.077 374 H ASN 45 H ASN 45 -6.664 16.963 4.225 375 HA ASN 45 HA ASN 45 -9.134 17.253 5.760 376 HB2 ASN 45 HB2 ASN 45 -9.848 15.046 4.871 377 HB3 ASN 45 HB3 ASN 45 -9.548 16.218 3.608 378 HD21 ASN 45 HD21 ASN 45 -9.302 14.596 2.115 379 HD22 ASN 45 HD22 ASN 45 -7.905 13.601 2.025 380 H ASN 46 H ASN 46 -6.046 16.272 6.124 381 HA ASN 46 HA ASN 46 -4.846 15.383 7.784 382 HB2 ASN 46 HB2 ASN 46 -7.405 15.680 9.360 383 HB3 ASN 46 HB3 ASN 46 -5.882 15.159 10.074 384 HD21 ASN 46 HD21 ASN 46 -7.681 17.813 8.768 385 HD22 ASN 46 HD22 ASN 46 -6.576 19.056 9.206 386 H ARG 47 H ARG 47 -6.435 13.492 5.946 387 HA ARG 47 HA ARG 47 -6.607 11.279 7.839 388 HB2 ARG 47 HB2 ARG 47 -7.969 10.121 6.314 389 HB3 ARG 47 HB3 ARG 47 -8.514 11.796 6.321 390 HG2 ARG 47 HG2 ARG 47 -7.358 12.189 4.257 391 HG3 ARG 47 HG3 ARG 47 -6.805 10.504 4.263 392 HD2 ARG 47 HD2 ARG 47 -9.164 9.744 4.281 393 HD3 ARG 47 HD3 ARG 47 -9.694 11.418 4.174 394 HE ARG 47 HE ARG 47 -7.967 10.627 2.025 395 HH11 ARG 47 HH11 ARG 47 -11.331 10.725 3.122 396 HH12 ARG 47 HH12 ARG 47 -12.008 10.511 1.586 397 HH21 ARG 47 HH21 ARG 47 -8.908 10.313 -0.111 398 HH22 ARG 47 HH22 ARG 47 -10.602 10.265 -0.288 399 H GLN 48 H GLN 48 -5.653 9.202 7.333 400 HA GLN 48 HA GLN 48 -3.067 9.571 6.267 401 HB2 GLN 48 HB2 GLN 48 -3.422 8.389 8.325 402 HB3 GLN 48 HB3 GLN 48 -4.490 7.245 7.531 403 HG2 GLN 48 HG2 GLN 48 -2.704 6.346 6.287 404 HG3 GLN 48 HG3 GLN 48 -1.623 7.625 6.872 405 HE21 GLN 48 HE21 GLN 48 -1.514 4.665 7.150 406 HE22 GLN 48 HE22 GLN 48 -1.374 4.405 8.857 407 H VAL 49 H VAL 49 -2.522 8.954 4.215 408 HA VAL 49 HA VAL 49 -4.345 7.251 2.674 409 HB VAL 49 HB VAL 49 -3.042 9.844 1.775 410 HG11 VAL 49 HG11 VAL 49 -4.728 7.976 0.152 411 HG12 VAL 49 HG12 VAL 49 -2.989 8.225 -0.026 412 HG13 VAL 49 HG13 VAL 49 -4.107 9.548 -0.354 413 HG21 VAL 49 HG21 VAL 49 -5.322 10.573 1.321 414 HG22 VAL 49 HG22 VAL 49 -5.070 10.243 3.047 415 HG23 VAL 49 HG23 VAL 49 -5.918 9.077 2.002 416 H CYS 50 H CYS 50 -3.335 6.241 0.892 417 HA CYS 50 HA CYS 50 -0.506 5.772 1.360 418 HB2 CYS 50 HB2 CYS 50 -2.586 4.028 0.075 419 HB3 CYS 50 HB3 CYS 50 -0.864 3.643 0.119 420 H ILE 51 H ILE 51 0.936 5.922 -0.202 421 HA ILE 51 HA ILE 51 0.137 7.522 -2.494 422 HB ILE 51 HB ILE 51 2.754 7.258 -1.023 423 HG12 ILE 51 HG12 ILE 51 0.800 9.535 -1.234 424 HG13 ILE 51 HG13 ILE 51 1.137 8.575 0.210 425 HG21 ILE 51 HG21 ILE 51 3.189 7.604 -3.358 426 HG22 ILE 51 HG22 ILE 51 3.488 9.105 -2.441 427 HG23 ILE 51 HG23 ILE 51 1.986 8.901 -3.361 428 HD11 ILE 51 HD11 ILE 51 3.074 10.378 -1.219 429 HD12 ILE 51 HD12 ILE 51 3.420 9.452 0.240 430 HD13 ILE 51 HD13 ILE 51 2.233 10.767 0.275 431 H ASP 52 H ASP 52 0.652 6.906 -4.511 432 HA ASP 52 HA ASP 52 1.563 4.274 -4.995 433 HB2 ASP 52 HB2 ASP 52 1.279 5.048 -7.416 434 HB3 ASP 52 HB3 ASP 52 -0.186 5.063 -6.413 435 HA PRO 53 HA PRO 53 5.847 5.363 -5.210 436 HB2 PRO 53 HB2 PRO 53 6.782 3.118 -6.378 437 HB3 PRO 53 HB3 PRO 53 6.215 3.147 -4.703 438 HG2 PRO 53 HG2 PRO 53 4.731 2.305 -7.171 439 HG3 PRO 53 HG3 PRO 53 4.870 1.452 -5.622 440 HD2 PRO 53 HD2 PRO 53 2.707 2.907 -6.205 441 HD3 PRO 53 HD3 PRO 53 3.381 2.878 -4.558 442 H LYS 54 H LYS 54 3.839 5.173 -7.842 443 HA LYS 54 HA LYS 54 5.924 5.473 -9.835 444 HB2 LYS 54 HB2 LYS 54 4.090 5.699 -11.496 445 HB3 LYS 54 HB3 LYS 54 3.849 4.297 -10.482 446 HG2 LYS 54 HG2 LYS 54 2.245 5.349 -9.276 447 HG3 LYS 54 HG3 LYS 54 2.569 6.891 -10.086 448 HD2 LYS 54 HD2 LYS 54 2.004 6.004 -12.170 449 HD3 LYS 54 HD3 LYS 54 1.867 4.377 -11.495 450 HE2 LYS 54 HE2 LYS 54 -0.304 5.302 -11.763 451 HE3 LYS 54 HE3 LYS 54 0.267 5.068 -10.076 452 HZ1 LYS 54 HZ1 LYS 54 0.512 7.357 -9.724 453 HZ2 LYS 54 HZ2 LYS 54 -0.974 7.239 -10.500 454 HZ3 LYS 54 HZ3 LYS 54 0.368 7.748 -11.376 455 H LEU 55 H LEU 55 4.171 7.513 -7.741 456 HA LEU 55 HA LEU 55 3.866 9.843 -9.203 457 HB2 LEU 55 HB2 LEU 55 4.400 9.241 -6.387 458 HB3 LEU 55 HB3 LEU 55 4.204 10.916 -6.808 459 HG LEU 55 HG LEU 55 2.204 8.628 -6.880 460 HD11 LEU 55 HD11 LEU 55 0.968 9.907 -5.364 461 HD12 LEU 55 HD12 LEU 55 2.055 11.307 -5.553 462 HD13 LEU 55 HD13 LEU 55 2.657 9.829 -4.827 463 HD21 LEU 55 HD21 LEU 55 1.863 9.835 -8.935 464 HD22 LEU 55 HD22 LEU 55 1.816 11.385 -8.051 465 HD23 LEU 55 HD23 LEU 55 0.572 10.152 -7.796 466 H LYS 56 H LYS 56 5.093 11.444 -9.873 467 HA LYS 56 HA LYS 56 7.844 10.902 -10.196 468 HB2 LYS 56 HB2 LYS 56 6.508 12.059 -11.891 469 HB3 LYS 56 HB3 LYS 56 6.322 13.431 -10.812 470 HG2 LYS 56 HG2 LYS 56 8.712 13.842 -10.911 471 HG3 LYS 56 HG3 LYS 56 8.917 12.441 -11.965 472 HD2 LYS 56 HD2 LYS 56 7.423 13.494 -13.608 473 HD3 LYS 56 HD3 LYS 56 7.307 14.913 -12.564 474 HE2 LYS 56 HE2 LYS 56 9.724 15.234 -12.753 475 HE3 LYS 56 HE3 LYS 56 9.827 13.826 -13.804 476 HZ1 LYS 56 HZ1 LYS 56 8.406 14.958 -15.404 477 HZ2 LYS 56 HZ2 LYS 56 9.769 15.893 -15.079 478 HZ3 LYS 56 HZ3 LYS 56 8.282 16.288 -14.394 479 H TRP 57 H TRP 57 6.089 13.052 -8.021 480 HA TRP 57 HA TRP 57 8.475 14.339 -7.123 481 HB2 TRP 57 HB2 TRP 57 7.160 15.319 -5.328 482 HB3 TRP 57 HB3 TRP 57 6.247 15.444 -6.812 483 HD1 TRP 57 HD1 TRP 57 3.933 13.965 -6.912 484 HE1 TRP 57 HE1 TRP 57 2.497 12.996 -4.998 485 HE3 TRP 57 HE3 TRP 57 7.306 14.228 -3.097 486 HZ2 TRP 57 HZ2 TRP 57 2.740 12.409 -2.326 487 HZ3 TRP 57 HZ3 TRP 57 6.642 13.454 -0.896 488 HH2 TRP 57 HH2 TRP 57 4.386 12.548 -0.489 489 H ILE 58 H ILE 58 7.092 11.342 -6.555 490 HA ILE 58 HA ILE 58 8.099 10.881 -3.982 491 HB ILE 58 HB ILE 58 6.889 9.174 -6.112 492 HG12 ILE 58 HG12 ILE 58 5.432 10.508 -4.709 493 HG13 ILE 58 HG13 ILE 58 5.169 8.787 -4.436 494 HG21 ILE 58 HG21 ILE 58 8.048 8.039 -3.599 495 HG22 ILE 58 HG22 ILE 58 8.565 7.709 -5.272 496 HG23 ILE 58 HG23 ILE 58 6.949 7.236 -4.739 497 HD11 ILE 58 HD11 ILE 58 5.130 10.054 -2.355 498 HD12 ILE 58 HD12 ILE 58 6.762 10.624 -2.642 499 HD13 ILE 58 HD13 ILE 58 6.456 8.899 -2.396 500 H GLN 59 H GLN 59 9.391 10.297 -7.203 501 HA GLN 59 HA GLN 59 11.634 8.836 -6.359 502 HB2 GLN 59 HB2 GLN 59 11.195 10.510 -8.817 503 HB3 GLN 59 HB3 GLN 59 12.754 9.777 -8.485 504 HG2 GLN 59 HG2 GLN 59 11.463 8.422 -10.003 505 HG3 GLN 59 HG3 GLN 59 11.749 7.571 -8.500 506 HE21 GLN 59 HE21 GLN 59 9.381 9.064 -10.539 507 HE22 GLN 59 HE22 GLN 59 8.007 8.436 -9.683 508 H GLU 60 H GLU 60 11.048 12.254 -6.520 509 HA GLU 60 HA GLU 60 13.649 13.209 -5.880 510 HB2 GLU 60 HB2 GLU 60 10.941 14.419 -5.254 511 HB3 GLU 60 HB3 GLU 60 12.471 15.265 -5.173 512 HG2 GLU 60 HG2 GLU 60 11.257 14.113 -7.673 513 HG3 GLU 60 HG3 GLU 60 11.177 15.804 -7.189 514 H TYR 61 H TYR 61 10.876 12.213 -4.049 515 HA TYR 61 HA TYR 61 11.840 12.879 -1.478 516 HB2 TYR 61 HB2 TYR 61 9.487 12.718 -1.749 517 HB3 TYR 61 HB3 TYR 61 9.608 11.128 -2.481 518 HD1 TYR 61 HD1 TYR 61 10.367 12.854 0.764 519 HD2 TYR 61 HD2 TYR 61 9.099 9.302 -1.210 520 HE1 TYR 61 HE1 TYR 61 9.966 11.783 2.944 521 HE2 TYR 61 HE2 TYR 61 8.700 8.219 0.930 522 HH TYR 61 HH TYR 61 9.458 8.461 3.301 523 H LEU 62 H LEU 62 11.847 9.891 -3.348 524 HA LEU 62 HA LEU 62 12.786 8.175 -1.337 525 HB2 LEU 62 HB2 LEU 62 13.195 7.974 -4.305 526 HB3 LEU 62 HB3 LEU 62 13.493 6.684 -3.158 527 HG LEU 62 HG LEU 62 10.833 7.932 -3.788 528 HD11 LEU 62 HD11 LEU 62 11.953 5.210 -4.344 529 HD12 LEU 62 HD12 LEU 62 11.669 6.495 -5.524 530 HD13 LEU 62 HD13 LEU 62 10.302 5.746 -4.673 531 HD21 LEU 62 HD21 LEU 62 9.908 6.204 -2.334 532 HD22 LEU 62 HD22 LEU 62 10.950 7.333 -1.460 533 HD23 LEU 62 HD23 LEU 62 11.544 5.722 -1.874 534 H GLU 63 H GLU 63 14.559 9.990 -3.727 535 HA GLU 63 HA GLU 63 17.081 8.968 -2.903 536 HB2 GLU 63 HB2 GLU 63 18.137 10.749 -4.224 537 HB3 GLU 63 HB3 GLU 63 16.893 9.904 -5.124 538 HG2 GLU 63 HG2 GLU 63 15.368 11.751 -4.805 539 HG3 GLU 63 HG3 GLU 63 16.560 12.578 -3.796 540 H LYS 64 H LYS 64 15.069 11.117 -1.330 541 HA LYS 64 HA LYS 64 17.349 12.137 0.215 542 HB2 LYS 64 HB2 LYS 64 14.598 13.228 -0.080 543 HB3 LYS 64 HB3 LYS 64 15.796 13.894 1.022 544 HG2 LYS 64 HG2 LYS 64 15.956 13.814 -2.002 545 HG3 LYS 64 HG3 LYS 64 15.705 15.246 -1.012 546 HD2 LYS 64 HD2 LYS 64 18.212 13.530 -1.065 547 HD3 LYS 64 HD3 LYS 64 18.027 15.120 -1.794 548 HE2 LYS 64 HE2 LYS 64 17.610 16.073 0.441 549 HE3 LYS 64 HE3 LYS 64 17.871 14.482 1.148 550 HZ1 LYS 64 HZ1 LYS 64 19.847 15.861 1.281 551 HZ2 LYS 64 HZ2 LYS 64 19.898 16.031 -0.380 552 HZ3 LYS 64 HZ3 LYS 64 20.177 14.523 0.325 553 H ALA 65 H ALA 65 14.726 10.049 0.322 554 HA ALA 65 HA ALA 65 14.630 10.143 3.236 555 HB1 ALA 65 HB1 ALA 65 12.479 10.070 2.052 556 HB2 ALA 65 HB2 ALA 65 12.698 8.653 3.076 557 HB3 ALA 65 HB3 ALA 65 12.930 8.525 1.331 558 H LEU 66 H LEU 66 15.295 7.900 0.627 559 HA LEU 66 HA LEU 66 16.260 5.904 2.523 560 HB2 LEU 66 HB2 LEU 66 16.268 5.885 -0.513 561 HB3 LEU 66 HB3 LEU 66 16.927 4.598 0.466 562 HG LEU 66 HG LEU 66 14.637 4.177 1.374 563 HD11 LEU 66 HD11 LEU 66 13.754 6.128 -0.734 564 HD12 LEU 66 HD12 LEU 66 13.630 6.348 1.013 565 HD13 LEU 66 HD13 LEU 66 12.701 5.076 0.214 566 HD21 LEU 66 HD21 LEU 66 13.785 3.100 -0.643 567 HD22 LEU 66 HD22 LEU 66 15.515 2.836 -0.420 568 HD23 LEU 66 HD23 LEU 66 14.946 4.009 -1.613 569 H ASN 67 H ASN 67 17.544 7.804 -0.111 570 HA ASN 67 HA ASN 67 20.187 7.568 1.085 571 HB2 ASN 67 HB2 ASN 67 19.377 8.775 -1.592 572 HB3 ASN 67 HB3 ASN 67 21.029 8.645 -1.005 573 HD21 ASN 67 HD21 ASN 67 18.373 6.988 -2.464 574 HD22 ASN 67 HD22 ASN 67 19.180 5.503 -2.754 575 H LYS 68 H LYS 68 21.324 9.979 0.608 576 HA LYS 68 HA LYS 68 19.580 12.094 1.092 577 HB2 LYS 68 HB2 LYS 68 20.195 12.734 3.402 578 HB3 LYS 68 HB3 LYS 68 19.468 11.143 3.341 579 HG2 LYS 68 HG2 LYS 68 22.428 11.587 3.565 580 HG3 LYS 68 HG3 LYS 68 21.359 11.403 4.951 581 HD2 LYS 68 HD2 LYS 68 21.642 9.455 2.727 582 HD3 LYS 68 HD3 LYS 68 22.539 9.286 4.261 583 HE2 LYS 68 HE2 LYS 68 20.254 9.190 5.369 584 HE3 LYS 68 HE3 LYS 68 19.563 9.179 3.750 585 HZ1 LYS 68 HZ1 LYS 68 21.374 7.129 4.876 586 HZ2 LYS 68 HZ2 LYS 68 20.785 7.126 3.295 587 HZ3 LYS 68 HZ3 LYS 68 19.718 6.959 4.597 Start of MODEL 18 1 H LYS 1 H LYS 1 -22.418 -8.048 -1.314 2 HA LYS 1 HA LYS 1 -22.767 -10.872 -2.064 3 HB2 LYS 1 HB2 LYS 1 -20.865 -8.740 -3.058 4 HB3 LYS 1 HB3 LYS 1 -20.777 -10.444 -3.455 5 HG2 LYS 1 HG2 LYS 1 -22.879 -10.303 -4.650 6 HG3 LYS 1 HG3 LYS 1 -23.061 -8.613 -4.184 7 HD2 LYS 1 HD2 LYS 1 -22.204 -8.787 -6.474 8 HD3 LYS 1 HD3 LYS 1 -21.000 -8.057 -5.414 9 HE2 LYS 1 HE2 LYS 1 -19.855 -10.239 -5.232 10 HE3 LYS 1 HE3 LYS 1 -21.055 -10.944 -6.313 11 HZ1 LYS 1 HZ1 LYS 1 -19.005 -10.367 -7.465 12 HZ2 LYS 1 HZ2 LYS 1 -19.148 -8.770 -6.998 13 HZ3 LYS 1 HZ3 LYS 1 -20.277 -9.431 -8.053 14 HA PRO 2 HA PRO 2 -19.627 -11.162 1.149 15 HB2 PRO 2 HB2 PRO 2 -19.182 -13.939 0.477 16 HB3 PRO 2 HB3 PRO 2 -20.027 -13.300 1.888 17 HG2 PRO 2 HG2 PRO 2 -21.254 -14.692 -0.151 18 HG3 PRO 2 HG3 PRO 2 -22.081 -13.551 0.925 19 HD2 PRO 2 HD2 PRO 2 -21.085 -13.156 -1.866 20 HD3 PRO 2 HD3 PRO 2 -22.567 -12.550 -1.090 21 H VAL 3 H VAL 3 -18.103 -9.916 0.067 22 HA VAL 3 HA VAL 3 -16.616 -11.160 -2.111 23 HB VAL 3 HB VAL 3 -16.522 -8.295 -1.109 24 HG11 VAL 3 HG11 VAL 3 -15.388 -7.799 -3.231 25 HG12 VAL 3 HG12 VAL 3 -15.400 -9.514 -3.631 26 HG13 VAL 3 HG13 VAL 3 -14.470 -8.943 -2.247 27 HG21 VAL 3 HG21 VAL 3 -18.716 -8.820 -2.025 28 HG22 VAL 3 HG22 VAL 3 -17.966 -9.453 -3.492 29 HG23 VAL 3 HG23 VAL 3 -17.836 -7.737 -3.103 30 H SER 4 H SER 4 -14.510 -11.713 -1.891 31 HA SER 4 HA SER 4 -13.449 -11.587 0.748 32 HB2 SER 4 HB2 SER 4 -11.552 -12.895 -0.329 33 HB3 SER 4 HB3 SER 4 -13.133 -13.676 -0.325 34 HG SER 4 HG SER 4 -11.814 -12.360 -2.452 35 H LEU 5 H LEU 5 -13.009 -9.444 1.129 36 HA LEU 5 HA LEU 5 -11.220 -8.091 -0.652 37 HB2 LEU 5 HB2 LEU 5 -12.229 -7.264 2.084 38 HB3 LEU 5 HB3 LEU 5 -11.110 -6.309 1.148 39 HG LEU 5 HG LEU 5 -13.232 -5.313 0.923 40 HD11 LEU 5 HD11 LEU 5 -12.684 -6.840 -1.598 41 HD12 LEU 5 HD12 LEU 5 -11.953 -5.312 -1.102 42 HD13 LEU 5 HD13 LEU 5 -13.679 -5.394 -1.456 43 HD21 LEU 5 HD21 LEU 5 -14.664 -7.145 1.607 44 HD22 LEU 5 HD22 LEU 5 -14.335 -7.998 0.098 45 HD23 LEU 5 HD23 LEU 5 -15.228 -6.475 0.077 46 H SER 6 H SER 6 -9.644 -9.489 -0.757 47 HA SER 6 HA SER 6 -8.215 -10.589 1.353 48 HB2 SER 6 HB2 SER 6 -6.478 -10.960 -0.433 49 HB3 SER 6 HB3 SER 6 -8.090 -11.557 -0.815 50 HG SER 6 HG SER 6 -7.805 -8.977 -1.598 51 H TYR 7 H TYR 7 -7.283 -9.411 2.850 52 HA TYR 7 HA TYR 7 -6.073 -6.868 2.195 53 HB2 TYR 7 HB2 TYR 7 -7.503 -7.133 4.220 54 HB3 TYR 7 HB3 TYR 7 -6.366 -8.312 4.841 55 HD1 TYR 7 HD1 TYR 7 -6.896 -4.741 4.096 56 HD2 TYR 7 HD2 TYR 7 -4.358 -7.593 5.976 57 HE1 TYR 7 HE1 TYR 7 -5.726 -2.922 5.271 58 HE2 TYR 7 HE2 TYR 7 -3.188 -5.780 7.155 59 HH TYR 7 HH TYR 7 -4.424 -2.607 7.239 60 H ARG 8 H ARG 8 -4.327 -7.504 0.965 61 HA ARG 8 HA ARG 8 -2.294 -9.222 2.263 62 HB2 ARG 8 HB2 ARG 8 -1.995 -7.997 -0.493 63 HB3 ARG 8 HB3 ARG 8 -1.124 -9.351 0.178 64 HG2 ARG 8 HG2 ARG 8 -2.504 -10.306 -1.421 65 HG3 ARG 8 HG3 ARG 8 -3.413 -10.559 0.074 66 HD2 ARG 8 HD2 ARG 8 -4.855 -9.752 -1.733 67 HD3 ARG 8 HD3 ARG 8 -4.774 -8.595 -0.406 68 HE ARG 8 HE ARG 8 -2.881 -8.180 -2.538 69 HH11 ARG 8 HH11 ARG 8 -6.047 -7.251 -1.240 70 HH12 ARG 8 HH12 ARG 8 -6.169 -5.858 -2.209 71 HH21 ARG 8 HH21 ARG 8 -3.051 -6.247 -3.824 72 HH22 ARG 8 HH22 ARG 8 -4.420 -5.255 -3.689 73 H CYS 9 H CYS 9 -2.991 -6.097 0.970 74 HA CYS 9 HA CYS 9 -0.381 -5.063 1.724 75 HB2 CYS 9 HB2 CYS 9 -2.552 -3.592 0.245 76 HB3 CYS 9 HB3 CYS 9 -0.819 -3.368 0.195 77 HA PRO 10 HA PRO 10 -2.429 -3.109 5.280 78 HB2 PRO 10 HB2 PRO 10 -0.509 -0.900 4.691 79 HB3 PRO 10 HB3 PRO 10 -0.789 -1.749 6.213 80 HG2 PRO 10 HG2 PRO 10 1.398 -2.245 4.805 81 HG3 PRO 10 HG3 PRO 10 0.515 -3.568 5.591 82 HD2 PRO 10 HD2 PRO 10 0.548 -2.763 2.711 83 HD3 PRO 10 HD3 PRO 10 0.547 -4.388 3.437 84 H CYS 11 H CYS 11 -1.619 -1.433 2.352 85 HA CYS 11 HA CYS 11 -3.634 0.607 2.683 86 HB2 CYS 11 HB2 CYS 11 -1.702 0.039 0.446 87 HB3 CYS 11 HB3 CYS 11 -2.722 1.468 0.585 88 H ARG 12 H ARG 12 -5.463 0.752 1.447 89 HA ARG 12 HA ARG 12 -5.967 -1.440 -0.427 90 HB2 ARG 12 HB2 ARG 12 -8.052 0.142 1.132 91 HB3 ARG 12 HB3 ARG 12 -8.415 -1.074 -0.072 92 HG2 ARG 12 HG2 ARG 12 -8.788 -2.077 2.034 93 HG3 ARG 12 HG3 ARG 12 -7.263 -2.740 1.455 94 HD2 ARG 12 HD2 ARG 12 -7.136 -2.163 3.821 95 HD3 ARG 12 HD3 ARG 12 -6.045 -1.144 2.871 96 HE ARG 12 HE ARG 12 -8.619 0.021 3.225 97 HH11 ARG 12 HH11 ARG 12 -5.426 -0.333 4.799 98 HH12 ARG 12 HH12 ARG 12 -5.653 1.004 5.806 99 HH21 ARG 12 HH21 ARG 12 -8.885 1.835 4.599 100 HH22 ARG 12 HH22 ARG 12 -7.679 2.276 5.709 101 H PHE 13 H PHE 13 -5.178 -0.474 -2.190 102 HA PHE 13 HA PHE 13 -5.073 0.811 -4.000 103 HB2 PHE 13 HB2 PHE 13 -7.608 2.152 -2.994 104 HB3 PHE 13 HB3 PHE 13 -6.895 2.421 -4.578 105 HD1 PHE 13 HD1 PHE 13 -6.812 0.502 -6.199 106 HD2 PHE 13 HD2 PHE 13 -9.035 0.345 -2.577 107 HE1 PHE 13 HE1 PHE 13 -8.129 -1.367 -7.088 108 HE2 PHE 13 HE2 PHE 13 -10.353 -1.521 -3.463 109 HZ PHE 13 HZ PHE 13 -9.899 -2.381 -5.722 110 H PHE 14 H PHE 14 -4.855 3.205 -4.663 111 HA PHE 14 HA PHE 14 -3.468 4.538 -2.441 112 HB2 PHE 14 HB2 PHE 14 -2.860 4.740 -5.387 113 HB3 PHE 14 HB3 PHE 14 -2.016 5.577 -4.097 114 HD1 PHE 14 HD1 PHE 14 -1.206 3.855 -2.174 115 HD2 PHE 14 HD2 PHE 14 -1.808 2.955 -6.279 116 HE1 PHE 14 HE1 PHE 14 0.347 2.001 -1.977 117 HE2 PHE 14 HE2 PHE 14 -0.258 1.089 -6.115 118 HZ PHE 14 HZ PHE 14 0.843 0.581 -3.953 119 H GLU 15 H GLU 15 -3.703 6.758 -2.172 120 HA GLU 15 HA GLU 15 -6.074 7.954 -3.049 121 HB2 GLU 15 HB2 GLU 15 -5.021 8.542 -0.986 122 HB3 GLU 15 HB3 GLU 15 -3.514 8.929 -1.797 123 HG2 GLU 15 HG2 GLU 15 -4.629 10.871 -1.077 124 HG3 GLU 15 HG3 GLU 15 -4.574 10.821 -2.843 125 H SER 16 H SER 16 -2.727 7.999 -3.968 126 HA SER 16 HA SER 16 -1.509 8.730 -5.606 127 HB2 SER 16 HB2 SER 16 -2.438 8.770 -7.966 128 HB3 SER 16 HB3 SER 16 -2.673 7.268 -7.087 129 HG SER 16 HG SER 16 -4.817 8.661 -6.590 130 H HIS 17 H HIS 17 -4.403 10.746 -5.400 131 HA HIS 17 HA HIS 17 -2.858 12.999 -6.366 132 HB2 HIS 17 HB2 HIS 17 -5.300 12.857 -6.900 133 HB3 HIS 17 HB3 HIS 17 -5.640 13.004 -5.176 134 HD1 HIS 17 HD1 HIS 17 -3.989 14.971 -7.934 135 HD2 HIS 17 HD2 HIS 17 -5.921 15.585 -4.325 136 HE1 HIS 17 HE1 HIS 17 -4.142 17.422 -7.701 137 HE2 HIS 17 HE2 HIS 17 -5.609 17.761 -5.685 138 H VAL 18 H VAL 18 -1.256 12.645 -4.824 139 HA VAL 18 HA VAL 18 -1.795 14.093 -2.339 140 HB VAL 18 HB VAL 18 0.269 11.892 -2.754 141 HG11 VAL 18 HG11 VAL 18 0.653 12.078 -0.337 142 HG12 VAL 18 HG12 VAL 18 -0.496 13.417 -0.266 143 HG13 VAL 18 HG13 VAL 18 1.005 13.590 -1.175 144 HG21 VAL 18 HG21 VAL 18 -1.964 10.926 -2.642 145 HG22 VAL 18 HG22 VAL 18 -2.294 11.817 -1.159 146 HG23 VAL 18 HG23 VAL 18 -1.069 10.550 -1.169 147 H ALA 19 H ALA 19 -0.525 15.826 -2.164 148 HA ALA 19 HA ALA 19 1.636 16.111 -4.120 149 HB1 ALA 19 HB1 ALA 19 -0.209 17.662 -4.493 150 HB2 ALA 19 HB2 ALA 19 1.249 18.516 -3.992 151 HB3 ALA 19 HB3 ALA 19 -0.058 18.241 -2.836 152 H ARG 20 H ARG 20 3.507 17.130 -3.440 153 HA ARG 20 HA ARG 20 4.619 16.221 -1.108 154 HB2 ARG 20 HB2 ARG 20 5.916 16.877 -3.042 155 HB3 ARG 20 HB3 ARG 20 5.456 18.555 -2.825 156 HG2 ARG 20 HG2 ARG 20 7.716 18.204 -2.080 157 HG3 ARG 20 HG3 ARG 20 6.684 18.576 -0.684 158 HD2 ARG 20 HD2 ARG 20 6.589 16.167 -0.210 159 HD3 ARG 20 HD3 ARG 20 7.681 15.882 -1.566 160 HE ARG 20 HE ARG 20 8.459 17.616 0.676 161 HH11 ARG 20 HH11 ARG 20 9.197 14.839 -1.412 162 HH12 ARG 20 HH12 ARG 20 10.689 14.525 -0.624 163 HH21 ARG 20 HH21 ARG 20 10.503 17.150 1.670 164 HH22 ARG 20 HH22 ARG 20 11.449 15.848 1.117 165 H ALA 21 H ALA 21 2.857 19.198 -1.584 166 HA ALA 21 HA ALA 21 3.808 20.362 0.896 167 HB1 ALA 21 HB1 ALA 21 1.712 21.285 -0.986 168 HB2 ALA 21 HB2 ALA 21 3.411 21.765 -1.063 169 HB3 ALA 21 HB3 ALA 21 2.409 22.236 0.332 170 H ASN 22 H ASN 22 0.986 18.669 -0.264 171 HA ASN 22 HA ASN 22 -0.677 19.432 2.002 172 HB2 ASN 22 HB2 ASN 22 -1.567 18.918 -0.341 173 HB3 ASN 22 HB3 ASN 22 -1.184 17.236 -0.022 174 HD21 ASN 22 HD21 ASN 22 -3.719 18.374 -0.644 175 HD22 ASN 22 HD22 ASN 22 -4.814 18.032 0.639 176 H VAL 23 H VAL 23 1.558 17.039 1.172 177 HA VAL 23 HA VAL 23 0.480 15.201 3.098 178 HB VAL 23 HB VAL 23 1.380 14.123 1.170 179 HG11 VAL 23 HG11 VAL 23 3.684 14.179 0.518 180 HG12 VAL 23 HG12 VAL 23 4.081 15.312 1.828 181 HG13 VAL 23 HG13 VAL 23 3.023 15.783 0.489 182 HG21 VAL 23 HG21 VAL 23 1.601 13.012 3.363 183 HG22 VAL 23 HG22 VAL 23 3.242 13.619 3.464 184 HG23 VAL 23 HG23 VAL 23 2.832 12.496 2.176 185 H LYS 24 H LYS 24 0.809 15.091 5.122 186 HA LYS 24 HA LYS 24 2.534 16.813 6.559 187 HB2 LYS 24 HB2 LYS 24 0.272 15.991 7.265 188 HB3 LYS 24 HB3 LYS 24 0.961 14.387 7.438 189 HG2 LYS 24 HG2 LYS 24 0.980 15.219 9.582 190 HG3 LYS 24 HG3 LYS 24 2.631 15.507 9.019 191 HD2 LYS 24 HD2 LYS 24 2.123 17.627 9.866 192 HD3 LYS 24 HD3 LYS 24 1.581 17.625 8.151 193 HE2 LYS 24 HE2 LYS 24 -0.638 17.379 8.636 194 HE3 LYS 24 HE3 LYS 24 -0.322 16.874 10.292 195 HZ1 LYS 24 HZ1 LYS 24 0.139 19.617 9.245 196 HZ2 LYS 24 HZ2 LYS 24 0.390 19.073 10.809 197 HZ3 LYS 24 HZ3 LYS 24 -1.163 19.143 10.209 198 H HIS 25 H HIS 25 2.155 13.345 6.438 199 HA HIS 25 HA HIS 25 4.944 12.882 7.267 200 HB2 HIS 25 HB2 HIS 25 3.617 12.557 9.203 201 HB3 HIS 25 HB3 HIS 25 2.337 11.787 8.295 202 HD1 HIS 25 HD1 HIS 25 5.340 11.043 10.294 203 HD2 HIS 25 HD2 HIS 25 2.939 9.085 7.526 204 HE1 HIS 25 HE1 HIS 25 5.820 8.618 10.617 205 HE2 HIS 25 HE2 HIS 25 4.031 7.499 9.292 206 H LEU 26 H LEU 26 5.965 11.214 6.199 207 HA LEU 26 HA LEU 26 4.292 9.472 4.542 208 HB2 LEU 26 HB2 LEU 26 7.044 10.475 3.804 209 HB3 LEU 26 HB3 LEU 26 6.102 9.324 2.874 210 HG LEU 26 HG LEU 26 4.446 11.316 2.678 211 HD11 LEU 26 HD11 LEU 26 6.989 12.793 3.304 212 HD12 LEU 26 HD12 LEU 26 5.510 12.791 4.270 213 HD13 LEU 26 HD13 LEU 26 5.510 13.501 2.651 214 HD21 LEU 26 HD21 LEU 26 7.065 11.157 1.228 215 HD22 LEU 26 HD22 LEU 26 5.683 12.116 0.693 216 HD23 LEU 26 HD23 LEU 26 5.546 10.359 0.812 217 H LYS 27 H LYS 27 4.500 7.409 5.148 218 HA LYS 27 HA LYS 27 6.917 6.601 6.543 219 HB2 LYS 27 HB2 LYS 27 4.552 6.538 7.691 220 HB3 LYS 27 HB3 LYS 27 4.212 5.258 6.554 221 HG2 LYS 27 HG2 LYS 27 6.425 5.203 8.569 222 HG3 LYS 27 HG3 LYS 27 4.851 4.438 8.753 223 HD2 LYS 27 HD2 LYS 27 5.294 2.943 6.957 224 HD3 LYS 27 HD3 LYS 27 6.759 3.824 6.508 225 HE2 LYS 27 HE2 LYS 27 7.648 3.379 8.644 226 HE3 LYS 27 HE3 LYS 27 6.223 2.398 9.047 227 HZ1 LYS 27 HZ1 LYS 27 8.167 1.826 6.834 228 HZ2 LYS 27 HZ2 LYS 27 6.815 0.878 7.227 229 HZ3 LYS 27 HZ3 LYS 27 8.113 1.009 8.292 230 H ILE 28 H ILE 28 8.117 5.304 5.226 231 HA ILE 28 HA ILE 28 6.848 4.322 2.803 232 HB ILE 28 HB ILE 28 9.785 4.117 3.549 233 HG12 ILE 28 HG12 ILE 28 8.219 6.281 2.193 234 HG13 ILE 28 HG13 ILE 28 9.177 6.422 3.667 235 HG21 ILE 28 HG21 ILE 28 8.839 2.723 1.582 236 HG22 ILE 28 HG22 ILE 28 10.129 3.887 1.222 237 HG23 ILE 28 HG23 ILE 28 8.477 4.325 0.871 238 HD11 ILE 28 HD11 ILE 28 11.162 5.841 2.174 239 HD12 ILE 28 HD12 ILE 28 10.348 7.426 1.929 240 HD13 ILE 28 HD13 ILE 28 9.944 6.087 0.876 241 H LEU 29 H LEU 29 5.821 2.388 2.937 242 HA LEU 29 HA LEU 29 6.921 0.405 4.737 243 HB2 LEU 29 HB2 LEU 29 4.624 1.498 5.075 244 HB3 LEU 29 HB3 LEU 29 4.121 0.651 3.639 245 HG LEU 29 HG LEU 29 5.113 -0.621 6.142 246 HD11 LEU 29 HD11 LEU 29 2.286 -0.225 5.143 247 HD12 LEU 29 HD12 LEU 29 3.018 0.530 6.557 248 HD13 LEU 29 HD13 LEU 29 2.718 -1.207 6.545 249 HD21 LEU 29 HD21 LEU 29 4.108 -2.703 5.258 250 HD22 LEU 29 HD22 LEU 29 5.407 -2.088 4.235 251 HD23 LEU 29 HD23 LEU 29 3.725 -1.850 3.760 252 H ASN 30 H ASN 30 7.919 -1.170 3.658 253 HA ASN 30 HA ASN 30 7.535 -1.515 0.788 254 HB2 ASN 30 HB2 ASN 30 9.329 -3.063 2.672 255 HB3 ASN 30 HB3 ASN 30 9.431 -3.082 0.917 256 HD21 ASN 30 HD21 ASN 30 11.509 -2.542 2.745 257 HD22 ASN 30 HD22 ASN 30 12.053 -0.918 2.508 258 H THR 31 H THR 31 6.316 -3.248 -0.124 259 HA THR 31 HA THR 31 5.583 -5.365 1.728 260 HB THR 31 HB THR 31 3.628 -4.044 -0.117 261 HG1 THR 31 HG1 THR 31 4.542 -3.309 2.280 262 HG21 THR 31 HG21 THR 31 3.266 -6.054 2.102 263 HG22 THR 31 HG22 THR 31 3.151 -6.389 0.373 264 HG23 THR 31 HG23 THR 31 1.956 -5.348 1.154 265 HA PRO 32 HA PRO 32 7.591 -7.559 -1.665 266 HB2 PRO 32 HB2 PRO 32 6.158 -9.669 -0.124 267 HB3 PRO 32 HB3 PRO 32 7.792 -9.714 -0.786 268 HG2 PRO 32 HG2 PRO 32 7.463 -9.221 1.776 269 HG3 PRO 32 HG3 PRO 32 8.601 -8.218 0.855 270 HD2 PRO 32 HD2 PRO 32 5.831 -7.526 1.805 271 HD3 PRO 32 HD3 PRO 32 7.265 -6.495 1.679 272 H ASN 33 H ASN 33 4.320 -8.597 -0.679 273 HA ASN 33 HA ASN 33 3.950 -9.655 -3.356 274 HB2 ASN 33 HB2 ASN 33 2.092 -9.876 -0.981 275 HB3 ASN 33 HB3 ASN 33 1.908 -10.711 -2.516 276 HD21 ASN 33 HD21 ASN 33 3.458 -12.346 -3.047 277 HD22 ASN 33 HD22 ASN 33 4.323 -13.171 -1.819 278 H CYS 34 H CYS 34 3.679 -6.679 -2.361 279 HA CYS 34 HA CYS 34 1.206 -6.285 -3.880 280 HB2 CYS 34 HB2 CYS 34 2.145 -4.660 -1.527 281 HB3 CYS 34 HB3 CYS 34 0.771 -4.257 -2.548 282 H ALA 35 H ALA 35 3.767 -4.131 -2.623 283 HA ALA 35 HA ALA 35 5.008 -3.362 -4.924 284 HB1 ALA 35 HB1 ALA 35 3.832 -1.199 -5.337 285 HB2 ALA 35 HB2 ALA 35 2.581 -1.731 -4.210 286 HB3 ALA 35 HB3 ALA 35 2.797 -2.585 -5.738 287 H LEU 36 H LEU 36 5.789 -0.990 -4.464 288 HA LEU 36 HA LEU 36 6.422 -0.970 -1.658 289 HB2 LEU 36 HB2 LEU 36 7.844 -0.201 -3.853 290 HB3 LEU 36 HB3 LEU 36 7.170 1.337 -3.342 291 HG LEU 36 HG LEU 36 9.325 1.133 -2.351 292 HD11 LEU 36 HD11 LEU 36 7.242 0.562 -0.274 293 HD12 LEU 36 HD12 LEU 36 7.689 2.155 -0.889 294 HD13 LEU 36 HD13 LEU 36 8.846 1.180 0.044 295 HD21 LEU 36 HD21 LEU 36 8.387 -1.517 -1.305 296 HD22 LEU 36 HD22 LEU 36 9.914 -0.755 -0.895 297 HD23 LEU 36 HD23 LEU 36 9.602 -1.267 -2.557 298 H GLN 37 H GLN 37 5.358 0.258 -0.259 299 HA GLN 37 HA GLN 37 3.299 1.951 -1.401 300 HB2 GLN 37 HB2 GLN 37 3.084 -0.096 0.743 301 HB3 GLN 37 HB3 GLN 37 1.861 1.149 0.498 302 HG2 GLN 37 HG2 GLN 37 1.350 0.383 -1.691 303 HG3 GLN 37 HG3 GLN 37 2.782 -0.625 -1.738 304 HE21 GLN 37 HE21 GLN 37 2.511 -1.711 0.791 305 HE22 GLN 37 HE22 GLN 37 1.176 -2.790 0.728 306 H ILE 38 H ILE 38 3.732 3.932 -0.887 307 HA ILE 38 HA ILE 38 5.049 4.479 1.647 308 HB ILE 38 HB ILE 38 4.524 6.383 -0.673 309 HG12 ILE 38 HG12 ILE 38 6.920 4.733 0.079 310 HG13 ILE 38 HG13 ILE 38 5.948 4.538 -1.363 311 HG21 ILE 38 HG21 ILE 38 6.221 7.774 0.447 312 HG22 ILE 38 HG22 ILE 38 6.376 6.545 1.698 313 HG23 ILE 38 HG23 ILE 38 4.868 7.455 1.549 314 HD11 ILE 38 HD11 ILE 38 6.713 6.808 -2.091 315 HD12 ILE 38 HD12 ILE 38 7.987 5.585 -1.953 316 HD13 ILE 38 HD13 ILE 38 7.827 6.776 -0.686 317 H VAL 39 H VAL 39 3.954 5.270 3.222 318 HA VAL 39 HA VAL 39 1.086 5.761 2.751 319 HB VAL 39 HB VAL 39 2.486 5.138 5.373 320 HG11 VAL 39 HG11 VAL 39 0.469 6.398 5.755 321 HG12 VAL 39 HG12 VAL 39 0.246 4.731 6.282 322 HG13 VAL 39 HG13 VAL 39 -0.461 5.278 4.758 323 HG21 VAL 39 HG21 VAL 39 1.462 2.910 5.204 324 HG22 VAL 39 HG22 VAL 39 2.582 3.227 3.879 325 HG23 VAL 39 HG23 VAL 39 0.840 3.327 3.605 326 H ALA 40 H ALA 40 0.226 7.704 3.076 327 HA ALA 40 HA ALA 40 1.935 9.675 4.399 328 HB1 ALA 40 HB1 ALA 40 1.175 11.265 2.847 329 HB2 ALA 40 HB2 ALA 40 0.284 10.018 1.962 330 HB3 ALA 40 HB3 ALA 40 2.075 9.946 2.101 331 H ARG 41 H ARG 41 0.954 11.267 5.480 332 HA ARG 41 HA ARG 41 -1.892 10.910 5.950 333 HB2 ARG 41 HB2 ARG 41 0.140 10.610 7.738 334 HB3 ARG 41 HB3 ARG 41 -0.216 12.320 7.932 335 HG2 ARG 41 HG2 ARG 41 -2.296 10.167 8.142 336 HG3 ARG 41 HG3 ARG 41 -1.382 10.774 9.513 337 HD2 ARG 41 HD2 ARG 41 -2.942 12.407 7.653 338 HD3 ARG 41 HD3 ARG 41 -3.629 11.709 9.140 339 HE ARG 41 HE ARG 41 -1.180 13.213 9.524 340 HH11 ARG 41 HH11 ARG 41 -4.720 13.555 9.557 341 HH12 ARG 41 HH12 ARG 41 -4.688 14.886 10.611 342 HH21 ARG 41 HH21 ARG 41 -1.201 15.023 11.029 343 HH22 ARG 41 HH22 ARG 41 -2.679 15.735 11.446 344 H LEU 42 H LEU 42 -3.170 12.758 5.589 345 HA LEU 42 HA LEU 42 -1.757 14.877 4.154 346 HB2 LEU 42 HB2 LEU 42 -4.729 14.268 4.281 347 HB3 LEU 42 HB3 LEU 42 -3.990 15.512 3.302 348 HG LEU 42 HG LEU 42 -3.569 12.548 3.021 349 HD11 LEU 42 HD11 LEU 42 -5.738 13.278 2.247 350 HD12 LEU 42 HD12 LEU 42 -4.700 12.865 0.874 351 HD13 LEU 42 HD13 LEU 42 -4.977 14.557 1.303 352 HD21 LEU 42 HD21 LEU 42 -2.318 13.136 1.006 353 HD22 LEU 42 HD22 LEU 42 -1.554 13.722 2.485 354 HD23 LEU 42 HD23 LEU 42 -2.445 14.846 1.446 355 H LYS 43 H LYS 43 -1.690 17.001 4.610 356 HA LYS 43 HA LYS 43 -2.126 17.910 7.231 357 HB2 LYS 43 HB2 LYS 43 -1.547 19.335 4.682 358 HB3 LYS 43 HB3 LYS 43 -1.579 20.114 6.254 359 HG2 LYS 43 HG2 LYS 43 0.161 18.661 7.019 360 HG3 LYS 43 HG3 LYS 43 0.169 17.829 5.461 361 HD2 LYS 43 HD2 LYS 43 0.812 19.891 4.364 362 HD3 LYS 43 HD3 LYS 43 0.781 20.735 5.921 363 HE2 LYS 43 HE2 LYS 43 2.328 19.209 6.785 364 HE3 LYS 43 HE3 LYS 43 2.386 18.351 5.257 365 HZ1 LYS 43 HZ1 LYS 43 4.315 19.892 5.401 366 HZ2 LYS 43 HZ2 LYS 43 3.280 21.205 5.606 367 HZ3 LYS 43 HZ3 LYS 43 3.310 20.343 4.154 368 H ASN 44 H ASN 44 -3.680 18.500 4.061 369 HA ASN 44 HA ASN 44 -5.524 20.459 5.137 370 HB2 ASN 44 HB2 ASN 44 -4.549 20.777 2.883 371 HB3 ASN 44 HB3 ASN 44 -5.387 19.332 2.331 372 HD21 ASN 44 HD21 ASN 44 -6.564 20.468 0.778 373 HD22 ASN 44 HD22 ASN 44 -7.840 21.544 1.186 374 H ASN 45 H ASN 45 -5.663 17.236 3.907 375 HA ASN 45 HA ASN 45 -8.562 17.120 4.164 376 HB2 ASN 45 HB2 ASN 45 -6.598 14.960 3.387 377 HB3 ASN 45 HB3 ASN 45 -8.344 14.828 3.309 378 HD21 ASN 45 HD21 ASN 45 -8.282 14.388 1.140 379 HD22 ASN 45 HD22 ASN 45 -7.920 15.583 -0.048 380 H ASN 46 H ASN 46 -5.761 16.412 5.975 381 HA ASN 46 HA ASN 46 -5.368 15.624 8.010 382 HB2 ASN 46 HB2 ASN 46 -7.303 16.974 8.744 383 HB3 ASN 46 HB3 ASN 46 -8.397 15.666 8.330 384 HD21 ASN 46 HD21 ASN 46 -6.023 16.815 10.588 385 HD22 ASN 46 HD22 ASN 46 -6.367 15.693 11.851 386 H ARG 47 H ARG 47 -6.582 13.789 5.619 387 HA ARG 47 HA ARG 47 -7.101 11.492 7.302 388 HB2 ARG 47 HB2 ARG 47 -8.093 10.425 5.427 389 HB3 ARG 47 HB3 ARG 47 -8.687 12.074 5.614 390 HG2 ARG 47 HG2 ARG 47 -7.321 12.811 3.832 391 HG3 ARG 47 HG3 ARG 47 -6.657 11.180 3.638 392 HD2 ARG 47 HD2 ARG 47 -8.941 10.316 3.220 393 HD3 ARG 47 HD3 ARG 47 -9.571 11.950 3.345 394 HE ARG 47 HE ARG 47 -7.708 11.105 1.209 395 HH11 ARG 47 HH11 ARG 47 -10.599 12.910 2.248 396 HH12 ARG 47 HH12 ARG 47 -11.087 13.263 0.668 397 HH21 ARG 47 HH21 ARG 47 -8.396 11.567 -0.902 398 HH22 ARG 47 HH22 ARG 47 -9.820 12.484 -1.203 399 H GLN 48 H GLN 48 -6.156 9.467 6.941 400 HA GLN 48 HA GLN 48 -3.446 9.761 6.043 401 HB2 GLN 48 HB2 GLN 48 -3.997 9.043 8.342 402 HB3 GLN 48 HB3 GLN 48 -4.786 7.624 7.672 403 HG2 GLN 48 HG2 GLN 48 -2.702 7.047 6.603 404 HG3 GLN 48 HG3 GLN 48 -1.951 8.406 7.386 405 HE21 GLN 48 HE21 GLN 48 -0.495 7.052 8.569 406 HE22 GLN 48 HE22 GLN 48 -1.053 6.171 9.938 407 H VAL 49 H VAL 49 -2.862 8.818 4.231 408 HA VAL 49 HA VAL 49 -4.590 6.819 2.960 409 HB VAL 49 HB VAL 49 -4.159 7.988 0.787 410 HG11 VAL 49 HG11 VAL 49 -6.343 8.190 1.910 411 HG12 VAL 49 HG12 VAL 49 -5.926 9.726 1.142 412 HG13 VAL 49 HG13 VAL 49 -5.723 9.520 2.884 413 HG21 VAL 49 HG21 VAL 49 -2.283 9.371 1.440 414 HG22 VAL 49 HG22 VAL 49 -3.295 10.254 2.584 415 HG23 VAL 49 HG23 VAL 49 -3.595 10.392 0.851 416 H CYS 50 H CYS 50 -3.384 6.157 0.824 417 HA CYS 50 HA CYS 50 -0.568 5.924 1.461 418 HB2 CYS 50 HB2 CYS 50 -2.343 3.884 0.130 419 HB3 CYS 50 HB3 CYS 50 -0.594 3.749 0.267 420 H ILE 51 H ILE 51 0.871 6.170 -0.080 421 HA ILE 51 HA ILE 51 0.025 7.753 -2.338 422 HB ILE 51 HB ILE 51 2.657 7.300 -0.958 423 HG12 ILE 51 HG12 ILE 51 0.871 9.708 -1.147 424 HG13 ILE 51 HG13 ILE 51 1.214 8.748 0.285 425 HG21 ILE 51 HG21 ILE 51 3.106 7.540 -3.262 426 HG22 ILE 51 HG22 ILE 51 3.562 9.018 -2.376 427 HG23 ILE 51 HG23 ILE 51 2.052 8.963 -3.323 428 HD11 ILE 51 HD11 ILE 51 3.207 10.413 -1.234 429 HD12 ILE 51 HD12 ILE 51 3.547 9.473 0.222 430 HD13 ILE 51 HD13 ILE 51 2.452 10.856 0.293 431 H ASP 52 H ASP 52 0.362 7.150 -4.363 432 HA ASP 52 HA ASP 52 1.169 4.496 -5.042 433 HB2 ASP 52 HB2 ASP 52 -0.543 5.644 -6.301 434 HB3 ASP 52 HB3 ASP 52 0.576 6.933 -6.754 435 HA PRO 53 HA PRO 53 5.510 5.585 -4.939 436 HB2 PRO 53 HB2 PRO 53 6.490 3.354 -6.087 437 HB3 PRO 53 HB3 PRO 53 5.851 3.373 -4.434 438 HG2 PRO 53 HG2 PRO 53 4.444 2.597 -6.976 439 HG3 PRO 53 HG3 PRO 53 4.551 1.689 -5.454 440 HD2 PRO 53 HD2 PRO 53 2.390 3.126 -5.970 441 HD3 PRO 53 HD3 PRO 53 3.122 3.151 -4.341 442 H LYS 54 H LYS 54 3.666 5.374 -7.800 443 HA LYS 54 HA LYS 54 6.038 5.793 -9.435 444 HB2 LYS 54 HB2 LYS 54 3.193 5.551 -10.488 445 HB3 LYS 54 HB3 LYS 54 4.740 5.467 -11.338 446 HG2 LYS 54 HG2 LYS 54 3.810 3.444 -9.341 447 HG3 LYS 54 HG3 LYS 54 3.716 3.270 -11.093 448 HD2 LYS 54 HD2 LYS 54 6.195 3.879 -9.634 449 HD3 LYS 54 HD3 LYS 54 5.727 2.186 -9.944 450 HE2 LYS 54 HE2 LYS 54 5.795 2.815 -12.395 451 HE3 LYS 54 HE3 LYS 54 6.407 4.395 -11.911 452 HZ1 LYS 54 HZ1 LYS 54 7.729 1.793 -11.379 453 HZ2 LYS 54 HZ2 LYS 54 8.329 3.307 -10.917 454 HZ3 LYS 54 HZ3 LYS 54 8.205 2.880 -12.544 455 H LEU 55 H LEU 55 4.043 7.682 -7.632 456 HA LEU 55 HA LEU 55 3.599 9.980 -9.211 457 HB2 LEU 55 HB2 LEU 55 4.310 9.645 -6.343 458 HB3 LEU 55 HB3 LEU 55 3.944 11.219 -6.976 459 HG LEU 55 HG LEU 55 2.113 8.825 -6.690 460 HD11 LEU 55 HD11 LEU 55 0.884 10.256 -5.172 461 HD12 LEU 55 HD12 LEU 55 1.962 11.593 -5.547 462 HD13 LEU 55 HD13 LEU 55 2.586 10.202 -4.678 463 HD21 LEU 55 HD21 LEU 55 1.584 9.948 -8.802 464 HD22 LEU 55 HD22 LEU 55 1.513 11.494 -7.933 465 HD23 LEU 55 HD23 LEU 55 0.336 10.233 -7.591 466 H LYS 56 H LYS 56 4.764 11.528 -9.991 467 HA LYS 56 HA LYS 56 7.490 11.103 -10.445 468 HB2 LYS 56 HB2 LYS 56 6.034 12.302 -12.000 469 HB3 LYS 56 HB3 LYS 56 5.860 13.607 -10.840 470 HG2 LYS 56 HG2 LYS 56 8.227 14.125 -11.039 471 HG3 LYS 56 HG3 LYS 56 8.428 12.782 -12.169 472 HD2 LYS 56 HD2 LYS 56 6.873 13.839 -13.715 473 HD3 LYS 56 HD3 LYS 56 6.647 15.173 -12.580 474 HE2 LYS 56 HE2 LYS 56 9.018 15.734 -12.774 475 HE3 LYS 56 HE3 LYS 56 9.242 14.400 -13.905 476 HZ1 LYS 56 HZ1 LYS 56 7.729 15.473 -15.431 477 HZ2 LYS 56 HZ2 LYS 56 8.968 16.545 -15.026 478 HZ3 LYS 56 HZ3 LYS 56 7.449 16.711 -14.327 479 H TRP 57 H TRP 57 5.840 13.254 -8.141 480 HA TRP 57 HA TRP 57 8.305 14.436 -7.323 481 HB2 TRP 57 HB2 TRP 57 7.085 15.512 -5.538 482 HB3 TRP 57 HB3 TRP 57 6.115 15.605 -6.990 483 HD1 TRP 57 HD1 TRP 57 3.752 14.200 -6.954 484 HE1 TRP 57 HE1 TRP 57 2.389 13.315 -4.881 485 HE3 TRP 57 HE3 TRP 57 7.311 14.413 -3.305 486 HZ2 TRP 57 HZ2 TRP 57 2.741 12.766 -2.301 487 HZ3 TRP 57 HZ3 TRP 57 6.733 13.684 -1.069 488 HH2 TRP 57 HH2 TRP 57 4.453 12.853 -0.560 489 H ILE 58 H ILE 58 6.680 11.549 -6.613 490 HA ILE 58 HA ILE 58 7.941 10.997 -4.164 491 HB ILE 58 HB ILE 58 6.323 9.401 -6.113 492 HG12 ILE 58 HG12 ILE 58 5.161 10.881 -4.569 493 HG13 ILE 58 HG13 ILE 58 4.771 9.192 -4.262 494 HG21 ILE 58 HG21 ILE 58 7.666 8.189 -3.722 495 HG22 ILE 58 HG22 ILE 58 7.940 7.797 -5.435 496 HG23 ILE 58 HG23 ILE 58 6.369 7.470 -4.685 497 HD11 ILE 58 HD11 ILE 58 5.066 10.423 -2.207 498 HD12 ILE 58 HD12 ILE 58 6.711 10.859 -2.666 499 HD13 ILE 58 HD13 ILE 58 6.286 9.166 -2.383 500 H GLN 59 H GLN 59 8.575 10.379 -7.540 501 HA GLN 59 HA GLN 59 10.749 8.628 -7.244 502 HB2 GLN 59 HB2 GLN 59 10.270 10.695 -9.394 503 HB3 GLN 59 HB3 GLN 59 11.385 9.336 -9.509 504 HG2 GLN 59 HG2 GLN 59 9.519 7.770 -9.342 505 HG3 GLN 59 HG3 GLN 59 8.394 9.115 -9.186 506 HE21 GLN 59 HE21 GLN 59 7.239 8.542 -11.010 507 HE22 GLN 59 HE22 GLN 59 7.887 8.710 -12.599 508 H GLU 60 H GLU 60 10.544 12.142 -7.353 509 HA GLU 60 HA GLU 60 13.257 12.762 -6.884 510 HB2 GLU 60 HB2 GLU 60 10.727 14.202 -6.093 511 HB3 GLU 60 HB3 GLU 60 12.331 14.862 -5.822 512 HG2 GLU 60 HG2 GLU 60 11.189 14.140 -8.506 513 HG3 GLU 60 HG3 GLU 60 11.226 15.764 -7.819 514 H TYR 61 H TYR 61 10.558 12.257 -4.715 515 HA TYR 61 HA TYR 61 11.748 12.719 -2.249 516 HB2 TYR 61 HB2 TYR 61 9.356 12.522 -2.417 517 HB3 TYR 61 HB3 TYR 61 9.511 10.897 -3.068 518 HD1 TYR 61 HD1 TYR 61 10.077 12.875 0.051 519 HD2 TYR 61 HD2 TYR 61 9.365 9.055 -1.685 520 HE1 TYR 61 HE1 TYR 61 9.797 11.917 2.289 521 HE2 TYR 61 HE2 TYR 61 9.077 8.076 0.537 522 HH TYR 61 HH TYR 61 8.744 9.995 3.360 523 H LEU 62 H LEU 62 11.667 9.766 -4.157 524 HA LEU 62 HA LEU 62 12.825 8.110 -2.200 525 HB2 LEU 62 HB2 LEU 62 12.896 7.835 -5.193 526 HB3 LEU 62 HB3 LEU 62 13.298 6.569 -4.048 527 HG LEU 62 HG LEU 62 10.600 7.845 -4.414 528 HD11 LEU 62 HD11 LEU 62 11.585 5.092 -5.071 529 HD12 LEU 62 HD12 LEU 62 11.208 6.388 -6.213 530 HD13 LEU 62 HD13 LEU 62 9.921 5.676 -5.236 531 HD21 LEU 62 HD21 LEU 62 9.809 6.175 -2.820 532 HD22 LEU 62 HD22 LEU 62 10.987 7.277 -2.104 533 HD23 LEU 62 HD23 LEU 62 11.480 5.643 -2.558 534 H GLU 63 H GLU 63 14.197 9.929 -4.833 535 HA GLU 63 HA GLU 63 16.872 9.092 -4.358 536 HB2 GLU 63 HB2 GLU 63 15.917 11.572 -5.788 537 HB3 GLU 63 HB3 GLU 63 17.534 10.881 -5.882 538 HG2 GLU 63 HG2 GLU 63 16.534 8.823 -6.837 539 HG3 GLU 63 HG3 GLU 63 14.976 9.655 -6.834 540 H LYS 64 H LYS 64 14.944 11.747 -3.164 541 HA LYS 64 HA LYS 64 17.200 12.902 -1.862 542 HB2 LYS 64 HB2 LYS 64 14.299 13.612 -1.868 543 HB3 LYS 64 HB3 LYS 64 15.342 14.282 -0.629 544 HG2 LYS 64 HG2 LYS 64 15.094 15.861 -2.440 545 HG3 LYS 64 HG3 LYS 64 16.748 15.284 -2.370 546 HD2 LYS 64 HD2 LYS 64 16.270 13.768 -4.251 547 HD3 LYS 64 HD3 LYS 64 14.618 14.389 -4.312 548 HE2 LYS 64 HE2 LYS 64 15.475 16.634 -4.756 549 HE3 LYS 64 HE3 LYS 64 17.124 16.019 -4.675 550 HZ1 LYS 64 HZ1 LYS 64 16.531 16.202 -6.925 551 HZ2 LYS 64 HZ2 LYS 64 15.078 15.360 -6.748 552 HZ3 LYS 64 HZ3 LYS 64 16.556 14.574 -6.565 553 H ALA 65 H ALA 65 14.397 11.037 -0.642 554 HA ALA 65 HA ALA 65 15.299 11.315 2.045 555 HB1 ALA 65 HB1 ALA 65 12.924 11.096 1.492 556 HB2 ALA 65 HB2 ALA 65 13.452 9.863 2.637 557 HB3 ALA 65 HB3 ALA 65 13.213 9.446 0.940 558 H LEU 66 H LEU 66 15.343 8.557 -0.239 559 HA LEU 66 HA LEU 66 16.494 6.908 1.756 560 HB2 LEU 66 HB2 LEU 66 16.030 6.412 -1.147 561 HB3 LEU 66 HB3 LEU 66 16.785 5.242 -0.082 562 HG LEU 66 HG LEU 66 14.589 4.613 -0.308 563 HD11 LEU 66 HD11 LEU 66 13.641 4.710 1.927 564 HD12 LEU 66 HD12 LEU 66 14.790 5.971 2.357 565 HD13 LEU 66 HD13 LEU 66 15.364 4.355 1.927 566 HD21 LEU 66 HD21 LEU 66 13.715 7.419 0.345 567 HD22 LEU 66 HD22 LEU 66 12.621 6.037 0.182 568 HD23 LEU 66 HD23 LEU 66 13.569 6.577 -1.201 569 H ASN 67 H ASN 67 17.823 8.736 -0.916 570 HA ASN 67 HA ASN 67 20.399 7.459 -0.661 571 HB2 ASN 67 HB2 ASN 67 19.521 9.828 -2.297 572 HB3 ASN 67 HB3 ASN 67 21.177 9.271 -2.287 573 HD21 ASN 67 HD21 ASN 67 21.183 8.744 -4.439 574 HD22 ASN 67 HD22 ASN 67 20.279 7.433 -5.101 575 H LYS 68 H LYS 68 18.925 9.598 1.263 576 HA LYS 68 HA LYS 68 21.434 10.936 1.933 577 HB2 LYS 68 HB2 LYS 68 19.495 12.421 1.509 578 HB3 LYS 68 HB3 LYS 68 18.612 11.594 2.783 579 HG2 LYS 68 HG2 LYS 68 20.251 12.362 4.422 580 HG3 LYS 68 HG3 LYS 68 21.137 13.191 3.144 581 HD2 LYS 68 HD2 LYS 68 19.749 14.760 4.366 582 HD3 LYS 68 HD3 LYS 68 19.174 14.582 2.706 583 HE2 LYS 68 HE2 LYS 68 17.390 13.122 3.435 584 HE3 LYS 68 HE3 LYS 68 18.006 13.141 5.089 585 HZ1 LYS 68 HZ1 LYS 68 16.141 14.630 4.822 586 HZ2 LYS 68 HZ2 LYS 68 16.926 15.495 3.613 587 HZ3 LYS 68 HZ3 LYS 68 17.519 15.502 5.191 Start of MODEL 19 1 H LYS 1 H LYS 1 -22.847 -6.156 4.530 2 HA LYS 1 HA LYS 1 -20.677 -5.108 4.856 3 HB2 LYS 1 HB2 LYS 1 -20.856 -7.662 6.515 4 HB3 LYS 1 HB3 LYS 1 -19.849 -6.292 6.884 5 HG2 LYS 1 HG2 LYS 1 -21.702 -6.266 8.367 6 HG3 LYS 1 HG3 LYS 1 -21.927 -4.945 7.233 7 HD2 LYS 1 HD2 LYS 1 -23.581 -6.250 6.009 8 HD3 LYS 1 HD3 LYS 1 -23.262 -7.653 7.033 9 HE2 LYS 1 HE2 LYS 1 -25.308 -6.502 7.698 10 HE3 LYS 1 HE3 LYS 1 -24.086 -6.426 8.965 11 HZ1 LYS 1 HZ1 LYS 1 -24.694 -4.246 7.044 12 HZ2 LYS 1 HZ2 LYS 1 -23.587 -4.156 8.312 13 HZ3 LYS 1 HZ3 LYS 1 -25.231 -4.322 8.640 14 HA PRO 2 HA PRO 2 -17.890 -7.698 2.420 15 HB2 PRO 2 HB2 PRO 2 -16.524 -5.322 1.579 16 HB3 PRO 2 HB3 PRO 2 -17.595 -6.353 0.627 17 HG2 PRO 2 HG2 PRO 2 -18.166 -3.760 1.397 18 HG3 PRO 2 HG3 PRO 2 -19.367 -4.967 0.918 19 HD2 PRO 2 HD2 PRO 2 -18.569 -4.062 3.645 20 HD3 PRO 2 HD3 PRO 2 -20.158 -4.554 3.010 21 H VAL 3 H VAL 3 -16.732 -8.580 4.085 22 HA VAL 3 HA VAL 3 -14.692 -6.917 5.359 23 HB VAL 3 HB VAL 3 -15.448 -9.797 5.995 24 HG11 VAL 3 HG11 VAL 3 -13.830 -7.796 7.575 25 HG12 VAL 3 HG12 VAL 3 -13.203 -9.200 6.711 26 HG13 VAL 3 HG13 VAL 3 -14.262 -9.424 8.101 27 HG21 VAL 3 HG21 VAL 3 -16.335 -7.264 7.388 28 HG22 VAL 3 HG22 VAL 3 -16.665 -8.908 7.935 29 HG23 VAL 3 HG23 VAL 3 -17.354 -8.328 6.418 30 H SER 4 H SER 4 -12.971 -6.768 4.036 31 HA SER 4 HA SER 4 -12.290 -9.094 2.455 32 HB2 SER 4 HB2 SER 4 -10.961 -7.458 1.084 33 HB3 SER 4 HB3 SER 4 -12.700 -7.173 1.124 34 HG SER 4 HG SER 4 -12.012 -5.223 1.569 35 H LEU 5 H LEU 5 -10.981 -10.383 3.559 36 HA LEU 5 HA LEU 5 -8.676 -9.283 4.958 37 HB2 LEU 5 HB2 LEU 5 -9.564 -12.164 4.569 38 HB3 LEU 5 HB3 LEU 5 -8.154 -11.682 5.476 39 HG LEU 5 HG LEU 5 -9.694 -10.501 7.084 40 HD11 LEU 5 HD11 LEU 5 -11.847 -11.970 5.586 41 HD12 LEU 5 HD12 LEU 5 -11.624 -10.222 5.654 42 HD13 LEU 5 HD13 LEU 5 -12.045 -11.114 7.117 43 HD21 LEU 5 HD21 LEU 5 -10.406 -12.547 8.212 44 HD22 LEU 5 HD22 LEU 5 -8.763 -12.686 7.587 45 HD23 LEU 5 HD23 LEU 5 -10.098 -13.462 6.737 46 H SER 6 H SER 6 -9.647 -10.580 2.003 47 HA SER 6 HA SER 6 -7.138 -11.479 1.078 48 HB2 SER 6 HB2 SER 6 -9.619 -10.748 -0.474 49 HB3 SER 6 HB3 SER 6 -8.275 -11.744 -1.042 50 HG SER 6 HG SER 6 -8.874 -13.348 0.255 51 H TYR 7 H TYR 7 -5.665 -9.849 1.259 52 HA TYR 7 HA TYR 7 -5.631 -8.204 -0.972 53 HB2 TYR 7 HB2 TYR 7 -5.049 -6.051 0.108 54 HB3 TYR 7 HB3 TYR 7 -6.695 -6.551 0.420 55 HD1 TYR 7 HD1 TYR 7 -7.138 -7.556 2.571 56 HD2 TYR 7 HD2 TYR 7 -3.623 -5.512 1.748 57 HE1 TYR 7 HE1 TYR 7 -6.837 -7.159 5.056 58 HE2 TYR 7 HE2 TYR 7 -3.217 -5.076 4.173 59 HH TYR 7 HH TYR 7 -5.024 -6.680 6.584 60 H ARG 8 H ARG 8 -3.913 -8.809 -1.824 61 HA ARG 8 HA ARG 8 -1.751 -9.908 -0.303 62 HB2 ARG 8 HB2 ARG 8 -2.004 -9.391 -3.265 63 HB3 ARG 8 HB3 ARG 8 -0.776 -10.395 -2.493 64 HG2 ARG 8 HG2 ARG 8 -2.474 -11.912 -1.693 65 HG3 ARG 8 HG3 ARG 8 -3.735 -10.901 -2.381 66 HD2 ARG 8 HD2 ARG 8 -2.800 -11.320 -4.617 67 HD3 ARG 8 HD3 ARG 8 -1.588 -12.383 -3.887 68 HE ARG 8 HE ARG 8 -4.292 -13.023 -3.214 69 HH11 ARG 8 HH11 ARG 8 -1.740 -13.541 -5.586 70 HH12 ARG 8 HH12 ARG 8 -2.330 -15.043 -6.122 71 HH21 ARG 8 HH21 ARG 8 -5.148 -15.066 -3.991 72 HH22 ARG 8 HH22 ARG 8 -4.292 -15.920 -5.210 73 H CYS 9 H CYS 9 -2.368 -7.051 -2.217 74 HA CYS 9 HA CYS 9 0.184 -5.962 -1.346 75 HB2 CYS 9 HB2 CYS 9 -1.789 -4.681 -3.274 76 HB3 CYS 9 HB3 CYS 9 -0.118 -4.291 -3.010 77 HA PRO 10 HA PRO 10 -1.762 -3.749 1.964 78 HB2 PRO 10 HB2 PRO 10 -0.281 -1.358 1.010 79 HB3 PRO 10 HB3 PRO 10 -0.318 -2.091 2.620 80 HG2 PRO 10 HG2 PRO 10 1.796 -2.420 1.052 81 HG3 PRO 10 HG3 PRO 10 1.188 -3.752 2.046 82 HD2 PRO 10 HD2 PRO 10 0.900 -3.290 -0.885 83 HD3 PRO 10 HD3 PRO 10 1.138 -4.806 0.014 84 H CYS 11 H CYS 11 -1.644 -2.043 -1.163 85 HA CYS 11 HA CYS 11 -4.390 -1.271 -0.870 86 HB2 CYS 11 HB2 CYS 11 -3.094 0.420 0.490 87 HB3 CYS 11 HB3 CYS 11 -2.266 0.877 -0.992 88 H ARG 12 H ARG 12 -5.258 -0.965 -2.877 89 HA ARG 12 HA ARG 12 -3.411 -0.936 -5.167 90 HB2 ARG 12 HB2 ARG 12 -6.296 -1.794 -5.031 91 HB3 ARG 12 HB3 ARG 12 -5.371 -1.676 -6.512 92 HG2 ARG 12 HG2 ARG 12 -3.848 -3.405 -5.677 93 HG3 ARG 12 HG3 ARG 12 -4.823 -3.527 -4.209 94 HD2 ARG 12 HD2 ARG 12 -6.777 -4.135 -5.548 95 HD3 ARG 12 HD3 ARG 12 -5.817 -3.985 -7.015 96 HE ARG 12 HE ARG 12 -4.625 -5.823 -5.254 97 HH11 ARG 12 HH11 ARG 12 -7.377 -5.497 -7.494 98 HH12 ARG 12 HH12 ARG 12 -7.518 -7.169 -7.768 99 HH21 ARG 12 HH21 ARG 12 -4.809 -8.137 -5.690 100 HH22 ARG 12 HH22 ARG 12 -6.044 -8.688 -6.734 101 H PHE 13 H PHE 13 -6.268 0.597 -3.794 102 HA PHE 13 HA PHE 13 -6.432 2.428 -6.030 103 HB2 PHE 13 HB2 PHE 13 -7.965 2.452 -3.477 104 HB3 PHE 13 HB3 PHE 13 -8.383 3.333 -4.928 105 HD1 PHE 13 HD1 PHE 13 -9.016 2.024 -7.022 106 HD2 PHE 13 HD2 PHE 13 -8.765 0.224 -3.179 107 HE1 PHE 13 HE1 PHE 13 -10.363 0.132 -7.830 108 HE2 PHE 13 HE2 PHE 13 -10.109 -1.679 -3.980 109 HZ PHE 13 HZ PHE 13 -10.911 -1.723 -6.306 110 H PHE 14 H PHE 14 -5.095 3.936 -6.048 111 HA PHE 14 HA PHE 14 -4.010 5.092 -3.581 112 HB2 PHE 14 HB2 PHE 14 -3.027 5.504 -6.409 113 HB3 PHE 14 HB3 PHE 14 -2.238 6.047 -4.939 114 HD1 PHE 14 HD1 PHE 14 -1.792 4.010 -3.199 115 HD2 PHE 14 HD2 PHE 14 -2.197 3.654 -7.421 116 HE1 PHE 14 HE1 PHE 14 -0.544 1.911 -3.138 117 HE2 PHE 14 HE2 PHE 14 -0.958 1.556 -7.368 118 HZ PHE 14 HZ PHE 14 -0.119 0.666 -5.229 119 H GLU 15 H GLU 15 -4.076 7.287 -3.153 120 HA GLU 15 HA GLU 15 -6.269 8.759 -4.126 121 HB2 GLU 15 HB2 GLU 15 -4.909 8.804 -1.913 122 HB3 GLU 15 HB3 GLU 15 -3.790 9.819 -2.791 123 HG2 GLU 15 HG2 GLU 15 -6.660 10.393 -2.138 124 HG3 GLU 15 HG3 GLU 15 -5.218 11.117 -1.445 125 H SER 16 H SER 16 -2.781 8.937 -4.385 126 HA SER 16 HA SER 16 -1.265 9.582 -5.870 127 HB2 SER 16 HB2 SER 16 -1.720 9.247 -8.307 128 HB3 SER 16 HB3 SER 16 -2.130 7.862 -7.300 129 HG SER 16 HG SER 16 -4.314 9.228 -7.392 130 H HIS 17 H HIS 17 -3.614 11.744 -5.160 131 HA HIS 17 HA HIS 17 -2.463 13.799 -6.993 132 HB2 HIS 17 HB2 HIS 17 -5.023 13.161 -7.058 133 HB3 HIS 17 HB3 HIS 17 -5.073 14.030 -5.519 134 HD1 HIS 17 HD1 HIS 17 -4.370 16.547 -5.607 135 HD2 HIS 17 HD2 HIS 17 -4.789 14.716 -9.284 136 HE1 HIS 17 HE1 HIS 17 -4.270 18.381 -7.258 137 HE2 HIS 17 HE2 HIS 17 -4.820 17.282 -9.473 138 H VAL 18 H VAL 18 -1.443 12.618 -4.562 139 HA VAL 18 HA VAL 18 -1.844 14.699 -2.576 140 HB VAL 18 HB VAL 18 -0.085 12.232 -2.422 141 HG11 VAL 18 HG11 VAL 18 -0.167 12.589 0.006 142 HG12 VAL 18 HG12 VAL 18 -1.093 14.068 -0.255 143 HG13 VAL 18 HG13 VAL 18 0.565 13.949 -0.847 144 HG21 VAL 18 HG21 VAL 18 -2.407 11.548 -2.722 145 HG22 VAL 18 HG22 VAL 18 -2.910 12.594 -1.402 146 HG23 VAL 18 HG23 VAL 18 -1.886 11.201 -1.076 147 H ALA 19 H ALA 19 -0.503 16.286 -2.410 148 HA ALA 19 HA ALA 19 2.014 16.245 -3.904 149 HB1 ALA 19 HB1 ALA 19 0.407 17.987 -4.526 150 HB2 ALA 19 HB2 ALA 19 1.857 18.696 -3.813 151 HB3 ALA 19 HB3 ALA 19 0.376 18.558 -2.862 152 H ARG 20 H ARG 20 3.881 17.217 -2.856 153 HA ARG 20 HA ARG 20 4.442 16.235 -0.353 154 HB2 ARG 20 HB2 ARG 20 6.170 16.777 -1.942 155 HB3 ARG 20 HB3 ARG 20 5.751 18.482 -1.891 156 HG2 ARG 20 HG2 ARG 20 7.794 17.983 -0.670 157 HG3 ARG 20 HG3 ARG 20 6.539 18.610 0.422 158 HD2 ARG 20 HD2 ARG 20 6.072 16.226 0.992 159 HD3 ARG 20 HD3 ARG 20 7.494 15.791 0.039 160 HE ARG 20 HE ARG 20 8.110 17.814 1.915 161 HH11 ARG 20 HH11 ARG 20 7.677 14.299 1.745 162 HH12 ARG 20 HH12 ARG 20 8.560 14.023 3.193 163 HH21 ARG 20 HH21 ARG 20 9.302 17.376 3.857 164 HH22 ARG 20 HH22 ARG 20 9.492 15.766 4.389 165 H ALA 21 H ALA 21 3.018 19.291 -1.191 166 HA ALA 21 HA ALA 21 3.441 20.517 1.375 167 HB1 ALA 21 HB1 ALA 21 1.582 21.236 -0.814 168 HB2 ALA 21 HB2 ALA 21 3.260 21.811 -0.670 169 HB3 ALA 21 HB3 ALA 21 2.032 22.272 0.540 170 H ASN 22 H ASN 22 1.067 18.359 0.104 171 HA ASN 22 HA ASN 22 -0.873 19.185 2.167 172 HB2 ASN 22 HB2 ASN 22 -1.709 19.174 -0.187 173 HB3 ASN 22 HB3 ASN 22 -1.326 17.465 -0.296 174 HD21 ASN 22 HD21 ASN 22 -3.481 16.971 -0.781 175 HD22 ASN 22 HD22 ASN 22 -4.713 16.992 0.421 176 H VAL 23 H VAL 23 1.551 17.219 1.945 177 HA VAL 23 HA VAL 23 0.137 15.021 3.278 178 HB VAL 23 HB VAL 23 1.301 14.174 1.380 179 HG11 VAL 23 HG11 VAL 23 3.840 15.260 2.603 180 HG12 VAL 23 HG12 VAL 23 3.021 15.875 1.167 181 HG13 VAL 23 HG13 VAL 23 3.733 14.268 1.146 182 HG21 VAL 23 HG21 VAL 23 1.181 12.766 3.356 183 HG22 VAL 23 HG22 VAL 23 2.737 13.370 3.894 184 HG23 VAL 23 HG23 VAL 23 2.642 12.413 2.420 185 H LYS 24 H LYS 24 0.161 14.863 5.366 186 HA LYS 24 HA LYS 24 2.121 16.290 6.939 187 HB2 LYS 24 HB2 LYS 24 -0.423 16.320 6.931 188 HB3 LYS 24 HB3 LYS 24 -0.245 14.791 7.743 189 HG2 LYS 24 HG2 LYS 24 0.891 15.735 9.547 190 HG3 LYS 24 HG3 LYS 24 1.046 17.292 8.712 191 HD2 LYS 24 HD2 LYS 24 -0.855 17.531 10.181 192 HD3 LYS 24 HD3 LYS 24 -1.276 17.293 8.450 193 HE2 LYS 24 HE2 LYS 24 -2.027 15.308 8.630 194 HE3 LYS 24 HE3 LYS 24 -1.159 14.910 10.123 195 HZ1 LYS 24 HZ1 LYS 24 -2.737 16.379 11.312 196 HZ2 LYS 24 HZ2 LYS 24 -3.623 15.194 10.523 197 HZ3 LYS 24 HZ3 LYS 24 -3.524 16.754 9.896 198 H HIS 25 H HIS 25 1.485 13.091 5.852 199 HA HIS 25 HA HIS 25 3.348 11.982 7.790 200 HB2 HIS 25 HB2 HIS 25 1.195 11.761 8.968 201 HB3 HIS 25 HB3 HIS 25 0.500 11.052 7.520 202 HD1 HIS 25 HD1 HIS 25 2.505 10.190 10.515 203 HD2 HIS 25 HD2 HIS 25 1.144 8.400 7.034 204 HE1 HIS 25 HE1 HIS 25 2.795 7.730 10.897 205 HE2 HIS 25 HE2 HIS 25 1.549 6.712 8.992 206 H LEU 26 H LEU 26 4.597 10.542 6.765 207 HA LEU 26 HA LEU 26 3.521 9.195 4.419 208 HB2 LEU 26 HB2 LEU 26 6.208 10.496 4.772 209 HB3 LEU 26 HB3 LEU 26 5.922 9.238 3.581 210 HG LEU 26 HG LEU 26 4.330 11.790 3.621 211 HD11 LEU 26 HD11 LEU 26 6.757 11.068 1.988 212 HD12 LEU 26 HD12 LEU 26 6.733 12.276 3.282 213 HD13 LEU 26 HD13 LEU 26 5.763 12.518 1.826 214 HD21 LEU 26 HD21 LEU 26 4.823 9.664 1.549 215 HD22 LEU 26 HD22 LEU 26 3.831 11.097 1.332 216 HD23 LEU 26 HD23 LEU 26 3.340 9.860 2.486 217 H LYS 27 H LYS 27 3.580 7.101 4.509 218 HA LYS 27 HA LYS 27 5.585 5.794 6.109 219 HB2 LYS 27 HB2 LYS 27 3.469 5.926 7.479 220 HB3 LYS 27 HB3 LYS 27 2.629 5.181 6.136 221 HG2 LYS 27 HG2 LYS 27 3.078 3.589 7.831 222 HG3 LYS 27 HG3 LYS 27 3.965 3.212 6.352 223 HD2 LYS 27 HD2 LYS 27 5.933 4.431 7.391 224 HD3 LYS 27 HD3 LYS 27 5.007 4.403 8.894 225 HE2 LYS 27 HE2 LYS 27 5.610 2.155 7.178 226 HE3 LYS 27 HE3 LYS 27 6.617 2.561 8.599 227 HZ1 LYS 27 HZ1 LYS 27 5.062 0.791 9.133 228 HZ2 LYS 27 HZ2 LYS 27 3.746 1.666 8.568 229 HZ3 LYS 27 HZ3 LYS 27 4.565 2.168 9.960 230 H ILE 28 H ILE 28 6.606 4.841 4.326 231 HA ILE 28 HA ILE 28 4.846 3.559 2.423 232 HB ILE 28 HB ILE 28 6.404 4.833 1.206 233 HG12 ILE 28 HG12 ILE 28 7.236 1.949 1.163 234 HG13 ILE 28 HG13 ILE 28 6.086 2.793 0.148 235 HG21 ILE 28 HG21 ILE 28 8.534 3.648 2.811 236 HG22 ILE 28 HG22 ILE 28 7.848 5.314 2.867 237 HG23 ILE 28 HG23 ILE 28 8.691 4.773 1.401 238 HD11 ILE 28 HD11 ILE 28 9.070 3.222 0.099 239 HD12 ILE 28 HD12 ILE 28 7.880 4.099 -0.866 240 HD13 ILE 28 HD13 ILE 28 8.096 2.380 -1.118 241 H LEU 29 H LEU 29 4.737 1.577 2.012 242 HA LEU 29 HA LEU 29 6.020 -0.273 3.883 243 HB2 LEU 29 HB2 LEU 29 3.676 0.093 4.429 244 HB3 LEU 29 HB3 LEU 29 3.212 -0.264 2.783 245 HG LEU 29 HG LEU 29 3.885 -2.588 3.080 246 HD11 LEU 29 HD11 LEU 29 4.461 -3.431 5.291 247 HD12 LEU 29 HD12 LEU 29 4.447 -1.787 5.932 248 HD13 LEU 29 HD13 LEU 29 5.650 -2.256 4.730 249 HD21 LEU 29 HD21 LEU 29 1.600 -1.943 3.561 250 HD22 LEU 29 HD22 LEU 29 2.033 -1.578 5.230 251 HD23 LEU 29 HD23 LEU 29 2.114 -3.241 4.635 252 H ASN 30 H ASN 30 7.366 -1.562 2.810 253 HA ASN 30 HA ASN 30 6.944 -2.027 -0.020 254 HB2 ASN 30 HB2 ASN 30 9.154 -3.112 -0.038 255 HB3 ASN 30 HB3 ASN 30 9.249 -1.568 0.773 256 HD21 ASN 30 HD21 ASN 30 9.458 -5.022 1.150 257 HD22 ASN 30 HD22 ASN 30 10.105 -4.973 2.750 258 H THR 31 H THR 31 6.645 -4.103 -0.965 259 HA THR 31 HA THR 31 5.488 -5.971 0.964 260 HB THR 31 HB THR 31 4.443 -5.384 -1.776 261 HG1 THR 31 HG1 THR 31 4.250 -4.047 0.579 262 HG21 THR 31 HG21 THR 31 3.237 -6.806 0.609 263 HG22 THR 31 HG22 THR 31 3.829 -7.582 -0.859 264 HG23 THR 31 HG23 THR 31 2.416 -6.527 -0.926 265 HA PRO 32 HA PRO 32 8.499 -8.843 -0.887 266 HB2 PRO 32 HB2 PRO 32 6.547 -10.700 0.360 267 HB3 PRO 32 HB3 PRO 32 8.300 -10.694 0.499 268 HG2 PRO 32 HG2 PRO 32 6.846 -9.815 2.505 269 HG3 PRO 32 HG3 PRO 32 8.275 -8.886 2.009 270 HD2 PRO 32 HD2 PRO 32 5.378 -8.328 1.458 271 HD3 PRO 32 HD3 PRO 32 6.696 -7.213 1.886 272 H ASN 33 H ASN 33 5.086 -8.859 -1.417 273 HA ASN 33 HA ASN 33 5.412 -10.738 -3.669 274 HB2 ASN 33 HB2 ASN 33 3.118 -10.493 -1.723 275 HB3 ASN 33 HB3 ASN 33 3.047 -11.443 -3.206 276 HD21 ASN 33 HD21 ASN 33 2.985 -12.111 -0.287 277 HD22 ASN 33 HD22 ASN 33 4.146 -13.358 -0.064 278 H CYS 34 H CYS 34 5.220 -7.640 -3.311 279 HA CYS 34 HA CYS 34 3.584 -7.234 -5.665 280 HB2 CYS 34 HB2 CYS 34 3.019 -5.744 -3.076 281 HB3 CYS 34 HB3 CYS 34 2.344 -5.342 -4.637 282 H ALA 35 H ALA 35 3.651 -4.567 -5.876 283 HA ALA 35 HA ALA 35 6.448 -3.879 -5.879 284 HB1 ALA 35 HB1 ALA 35 5.600 -1.803 -6.922 285 HB2 ALA 35 HB2 ALA 35 3.957 -2.357 -6.595 286 HB3 ALA 35 HB3 ALA 35 4.968 -3.239 -7.741 287 H LEU 36 H LEU 36 6.321 -1.142 -5.196 288 HA LEU 36 HA LEU 36 5.760 -1.428 -2.372 289 HB2 LEU 36 HB2 LEU 36 7.536 0.493 -3.820 290 HB3 LEU 36 HB3 LEU 36 6.993 0.815 -2.188 291 HG LEU 36 HG LEU 36 8.025 -1.305 -1.459 292 HD11 LEU 36 HD11 LEU 36 7.913 -2.483 -3.423 293 HD12 LEU 36 HD12 LEU 36 9.598 -2.458 -2.882 294 HD13 LEU 36 HD13 LEU 36 9.077 -1.422 -4.241 295 HD21 LEU 36 HD21 LEU 36 10.316 -0.524 -1.563 296 HD22 LEU 36 HD22 LEU 36 9.134 0.739 -1.183 297 HD23 LEU 36 HD23 LEU 36 9.847 0.665 -2.799 298 H GLN 37 H GLN 37 4.757 -0.078 -1.244 299 HA GLN 37 HA GLN 37 2.894 1.761 -2.625 300 HB2 GLN 37 HB2 GLN 37 2.035 -0.363 -0.641 301 HB3 GLN 37 HB3 GLN 37 1.054 1.053 -0.956 302 HG2 GLN 37 HG2 GLN 37 0.170 -0.754 -2.243 303 HG3 GLN 37 HG3 GLN 37 0.944 0.368 -3.345 304 HE21 GLN 37 HE21 GLN 37 2.602 -2.027 -1.382 305 HE22 GLN 37 HE22 GLN 37 3.176 -2.952 -2.705 306 H ILE 38 H ILE 38 2.605 3.701 -1.698 307 HA ILE 38 HA ILE 38 3.876 3.976 0.908 308 HB ILE 38 HB ILE 38 3.389 6.180 -1.112 309 HG12 ILE 38 HG12 ILE 38 5.675 4.301 -0.688 310 HG13 ILE 38 HG13 ILE 38 4.926 4.810 -2.184 311 HG21 ILE 38 HG21 ILE 38 5.019 7.434 0.281 312 HG22 ILE 38 HG22 ILE 38 5.054 6.079 1.417 313 HG23 ILE 38 HG23 ILE 38 3.569 6.992 1.182 314 HD11 ILE 38 HD11 ILE 38 6.015 7.042 -1.839 315 HD12 ILE 38 HD12 ILE 38 7.074 5.628 -2.057 316 HD13 ILE 38 HD13 ILE 38 6.835 6.268 -0.440 317 H VAL 39 H VAL 39 2.781 4.981 2.515 318 HA VAL 39 HA VAL 39 -0.060 5.590 2.033 319 HB VAL 39 HB VAL 39 1.368 4.693 4.563 320 HG11 VAL 39 HG11 VAL 39 -0.386 6.179 5.160 321 HG12 VAL 39 HG12 VAL 39 -0.838 4.539 5.591 322 HG13 VAL 39 HG13 VAL 39 -1.556 5.292 4.161 323 HG21 VAL 39 HG21 VAL 39 0.026 2.651 4.377 324 HG22 VAL 39 HG22 VAL 39 1.097 2.875 2.993 325 HG23 VAL 39 HG23 VAL 39 -0.624 3.227 2.840 326 H ALA 40 H ALA 40 -0.778 7.598 2.528 327 HA ALA 40 HA ALA 40 1.033 9.394 3.998 328 HB1 ALA 40 HB1 ALA 40 0.578 11.136 2.443 329 HB2 ALA 40 HB2 ALA 40 -0.393 10.015 1.469 330 HB3 ALA 40 HB3 ALA 40 1.356 9.755 1.666 331 H ARG 41 H ARG 41 0.023 11.062 5.066 332 HA ARG 41 HA ARG 41 -2.878 10.897 5.057 333 HB2 ARG 41 HB2 ARG 41 -1.801 10.162 7.182 334 HB3 ARG 41 HB3 ARG 41 -1.166 11.796 7.310 335 HG2 ARG 41 HG2 ARG 41 -3.265 12.729 7.654 336 HG3 ARG 41 HG3 ARG 41 -4.092 11.229 7.193 337 HD2 ARG 41 HD2 ARG 41 -3.108 10.083 8.929 338 HD3 ARG 41 HD3 ARG 41 -2.168 11.509 9.427 339 HE ARG 41 HE ARG 41 -4.964 12.040 9.459 340 HH11 ARG 41 HH11 ARG 41 -2.509 10.277 11.305 341 HH12 ARG 41 HH12 ARG 41 -3.253 10.487 12.813 342 HH21 ARG 41 HH21 ARG 41 -6.046 12.299 11.521 343 HH22 ARG 41 HH22 ARG 41 -5.370 11.665 12.936 344 H LEU 42 H LEU 42 -4.039 12.567 4.814 345 HA LEU 42 HA LEU 42 -2.803 14.795 3.461 346 HB2 LEU 42 HB2 LEU 42 -5.724 14.262 4.037 347 HB3 LEU 42 HB3 LEU 42 -5.100 15.519 2.990 348 HG LEU 42 HG LEU 42 -4.885 12.549 2.547 349 HD11 LEU 42 HD11 LEU 42 -7.106 13.432 2.160 350 HD12 LEU 42 HD12 LEU 42 -6.329 12.982 0.642 351 HD13 LEU 42 HD13 LEU 42 -6.444 14.678 1.104 352 HD21 LEU 42 HD21 LEU 42 -3.926 13.141 0.384 353 HD22 LEU 42 HD22 LEU 42 -2.907 13.662 1.726 354 HD23 LEU 42 HD23 LEU 42 -3.903 14.841 0.863 355 H LYS 43 H LYS 43 -2.836 16.897 3.982 356 HA LYS 43 HA LYS 43 -3.111 17.577 6.764 357 HB2 LYS 43 HB2 LYS 43 -2.235 19.137 4.354 358 HB3 LYS 43 HB3 LYS 43 -2.283 19.787 5.992 359 HG2 LYS 43 HG2 LYS 43 -0.699 18.217 6.756 360 HG3 LYS 43 HG3 LYS 43 -0.755 17.328 5.237 361 HD2 LYS 43 HD2 LYS 43 1.260 18.699 5.424 362 HD3 LYS 43 HD3 LYS 43 0.253 19.212 4.078 363 HE2 LYS 43 HE2 LYS 43 -0.633 21.017 5.441 364 HE3 LYS 43 HE3 LYS 43 0.385 20.501 6.788 365 HZ1 LYS 43 HZ1 LYS 43 2.327 20.939 5.452 366 HZ2 LYS 43 HZ2 LYS 43 1.377 22.331 5.530 367 HZ3 LYS 43 HZ3 LYS 43 1.365 21.371 4.135 368 H ASN 44 H ASN 44 -4.711 18.361 3.718 369 HA ASN 44 HA ASN 44 -6.429 20.283 4.903 370 HB2 ASN 44 HB2 ASN 44 -7.796 20.126 2.778 371 HB3 ASN 44 HB3 ASN 44 -6.115 20.546 2.553 372 HD21 ASN 44 HD21 ASN 44 -6.396 19.900 0.350 373 HD22 ASN 44 HD22 ASN 44 -6.392 18.237 -0.106 374 H ASN 45 H ASN 45 -6.912 16.922 4.133 375 HA ASN 45 HA ASN 45 -9.605 17.020 5.338 376 HB2 ASN 45 HB2 ASN 45 -8.293 14.909 3.638 377 HB3 ASN 45 HB3 ASN 45 -9.919 14.786 4.299 378 HD21 ASN 45 HD21 ASN 45 -8.912 14.885 1.488 379 HD22 ASN 45 HD22 ASN 45 -9.758 16.201 0.800 380 H ASN 46 H ASN 46 -6.485 16.155 6.108 381 HA ASN 46 HA ASN 46 -5.475 15.057 7.802 382 HB2 ASN 46 HB2 ASN 46 -7.062 16.454 9.151 383 HB3 ASN 46 HB3 ASN 46 -8.208 15.124 9.135 384 HD21 ASN 46 HD21 ASN 46 -8.211 14.896 11.356 385 HD22 ASN 46 HD22 ASN 46 -6.884 14.305 12.268 386 H ARG 47 H ARG 47 -7.199 13.524 5.696 387 HA ARG 47 HA ARG 47 -7.611 11.060 7.185 388 HB2 ARG 47 HB2 ARG 47 -8.840 10.222 5.324 389 HB3 ARG 47 HB3 ARG 47 -9.402 11.850 5.676 390 HG2 ARG 47 HG2 ARG 47 -8.215 12.708 3.834 391 HG3 ARG 47 HG3 ARG 47 -7.476 11.118 3.537 392 HD2 ARG 47 HD2 ARG 47 -9.738 10.168 3.211 393 HD3 ARG 47 HD3 ARG 47 -10.420 11.782 3.384 394 HE ARG 47 HE ARG 47 -8.911 12.226 1.294 395 HH11 ARG 47 HH11 ARG 47 -10.726 9.251 1.988 396 HH12 ARG 47 HH12 ARG 47 -10.967 8.849 0.367 397 HH21 ARG 47 HH21 ARG 47 -9.264 11.688 -0.944 398 HH22 ARG 47 HH22 ARG 47 -10.132 10.287 -1.357 399 H GLN 48 H GLN 48 -6.641 9.074 6.571 400 HA GLN 48 HA GLN 48 -4.126 9.553 5.311 401 HB2 GLN 48 HB2 GLN 48 -4.273 8.511 7.575 402 HB3 GLN 48 HB3 GLN 48 -5.113 7.153 6.839 403 HG2 GLN 48 HG2 GLN 48 -3.237 6.666 5.497 404 HG3 GLN 48 HG3 GLN 48 -2.425 8.116 6.096 405 HE21 GLN 48 HE21 GLN 48 -3.444 4.898 6.892 406 HE22 GLN 48 HE22 GLN 48 -2.475 4.706 8.308 407 H VAL 49 H VAL 49 -3.565 8.671 3.441 408 HA VAL 49 HA VAL 49 -5.480 6.988 1.999 409 HB VAL 49 HB VAL 49 -4.885 8.299 -0.046 410 HG11 VAL 49 HG11 VAL 49 -7.047 8.643 1.086 411 HG12 VAL 49 HG12 VAL 49 -6.455 10.152 0.409 412 HG13 VAL 49 HG13 VAL 49 -6.307 9.848 2.144 413 HG21 VAL 49 HG21 VAL 49 -2.879 9.385 0.735 414 HG22 VAL 49 HG22 VAL 49 -3.797 10.276 1.949 415 HG23 VAL 49 HG23 VAL 49 -4.057 10.599 0.231 416 H CYS 50 H CYS 50 -4.354 6.433 -0.219 417 HA CYS 50 HA CYS 50 -1.714 5.344 0.436 418 HB2 CYS 50 HB2 CYS 50 -3.629 4.517 -1.750 419 HB3 CYS 50 HB3 CYS 50 -2.158 3.694 -1.249 420 H ILE 51 H ILE 51 -0.006 5.841 -0.857 421 HA ILE 51 HA ILE 51 -0.466 7.700 -3.036 422 HB ILE 51 HB ILE 51 1.800 7.312 -1.141 423 HG12 ILE 51 HG12 ILE 51 0.013 9.611 -1.837 424 HG13 ILE 51 HG13 ILE 51 0.257 8.808 -0.307 425 HG21 ILE 51 HG21 ILE 51 2.903 7.397 -3.220 426 HG22 ILE 51 HG22 ILE 51 3.094 8.977 -2.425 427 HG23 ILE 51 HG23 ILE 51 1.907 8.760 -3.728 428 HD11 ILE 51 HD11 ILE 51 2.323 10.494 -1.685 429 HD12 ILE 51 HD12 ILE 51 2.497 9.659 -0.140 430 HD13 ILE 51 HD13 ILE 51 1.333 10.980 -0.298 431 H ASP 52 H ASP 52 0.204 7.265 -4.986 432 HA ASP 52 HA ASP 52 1.231 4.687 -5.701 433 HB2 ASP 52 HB2 ASP 52 -0.360 5.989 -7.148 434 HB3 ASP 52 HB3 ASP 52 0.879 7.188 -7.333 435 HA PRO 53 HA PRO 53 5.473 5.902 -5.032 436 HB2 PRO 53 HB2 PRO 53 6.681 3.875 -6.378 437 HB3 PRO 53 HB3 PRO 53 5.932 3.667 -4.787 438 HG2 PRO 53 HG2 PRO 53 4.794 3.081 -7.501 439 HG3 PRO 53 HG3 PRO 53 4.782 2.065 -6.049 440 HD2 PRO 53 HD2 PRO 53 2.640 3.483 -6.736 441 HD3 PRO 53 HD3 PRO 53 3.109 3.315 -5.030 442 H LYS 54 H LYS 54 3.960 5.939 -8.080 443 HA LYS 54 HA LYS 54 6.366 6.646 -9.485 444 HB2 LYS 54 HB2 LYS 54 3.516 6.572 -10.473 445 HB3 LYS 54 HB3 LYS 54 4.909 6.919 -11.479 446 HG2 LYS 54 HG2 LYS 54 4.611 4.321 -9.983 447 HG3 LYS 54 HG3 LYS 54 3.918 4.566 -11.573 448 HD2 LYS 54 HD2 LYS 54 6.041 3.401 -11.791 449 HD3 LYS 54 HD3 LYS 54 6.194 5.017 -12.456 450 HE2 LYS 54 HE2 LYS 54 7.457 5.741 -10.559 451 HE3 LYS 54 HE3 LYS 54 7.172 4.205 -9.694 452 HZ1 LYS 54 HZ1 LYS 54 8.456 3.175 -11.522 453 HZ2 LYS 54 HZ2 LYS 54 9.351 4.318 -10.670 454 HZ3 LYS 54 HZ3 LYS 54 8.712 4.682 -12.182 455 H LEU 55 H LEU 55 4.243 8.336 -7.524 456 HA LEU 55 HA LEU 55 4.122 10.839 -8.767 457 HB2 LEU 55 HB2 LEU 55 4.408 10.041 -5.904 458 HB3 LEU 55 HB3 LEU 55 4.215 11.715 -6.316 459 HG LEU 55 HG LEU 55 2.173 9.469 -6.688 460 HD11 LEU 55 HD11 LEU 55 0.900 10.683 -5.051 461 HD12 LEU 55 HD12 LEU 55 2.092 11.988 -5.041 462 HD13 LEU 55 HD13 LEU 55 2.534 10.422 -4.413 463 HD21 LEU 55 HD21 LEU 55 2.063 11.046 -8.568 464 HD22 LEU 55 HD22 LEU 55 1.973 12.383 -7.413 465 HD23 LEU 55 HD23 LEU 55 0.669 11.201 -7.496 466 H LYS 56 H LYS 56 5.581 12.372 -9.216 467 HA LYS 56 HA LYS 56 8.263 11.556 -9.192 468 HB2 LYS 56 HB2 LYS 56 7.366 12.902 -11.011 469 HB3 LYS 56 HB3 LYS 56 7.153 14.263 -9.919 470 HG2 LYS 56 HG2 LYS 56 9.520 14.479 -9.632 471 HG3 LYS 56 HG3 LYS 56 9.807 13.001 -10.546 472 HD2 LYS 56 HD2 LYS 56 8.842 14.051 -12.530 473 HD3 LYS 56 HD3 LYS 56 8.590 15.539 -11.609 474 HE2 LYS 56 HE2 LYS 56 10.947 15.806 -11.295 475 HE3 LYS 56 HE3 LYS 56 11.274 14.235 -12.017 476 HZ1 LYS 56 HZ1 LYS 56 10.410 15.049 -14.094 477 HZ2 LYS 56 HZ2 LYS 56 11.688 16.022 -13.575 478 HZ3 LYS 56 HZ3 LYS 56 10.096 16.572 -13.428 479 H TRP 57 H TRP 57 6.528 13.750 -7.075 480 HA TRP 57 HA TRP 57 8.942 14.658 -5.843 481 HB2 TRP 57 HB2 TRP 57 7.573 15.656 -4.107 482 HB3 TRP 57 HB3 TRP 57 6.777 15.948 -5.634 483 HD1 TRP 57 HD1 TRP 57 4.391 14.654 -6.008 484 HE1 TRP 57 HE1 TRP 57 2.769 13.619 -4.259 485 HE3 TRP 57 HE3 TRP 57 7.502 14.411 -1.998 486 HZ2 TRP 57 HZ2 TRP 57 2.809 12.808 -1.652 487 HZ3 TRP 57 HZ3 TRP 57 6.681 13.514 0.074 488 HH2 TRP 57 HH2 TRP 57 4.347 12.697 0.278 489 H ILE 58 H ILE 58 7.009 11.855 -5.598 490 HA ILE 58 HA ILE 58 7.909 10.917 -3.094 491 HB ILE 58 HB ILE 58 6.505 9.707 -5.450 492 HG12 ILE 58 HG12 ILE 58 5.192 11.091 -3.936 493 HG13 ILE 58 HG13 ILE 58 4.651 9.413 -3.915 494 HG21 ILE 58 HG21 ILE 58 7.390 8.140 -3.061 495 HG22 ILE 58 HG22 ILE 58 7.873 7.917 -4.757 496 HG23 ILE 58 HG23 ILE 58 6.198 7.638 -4.263 497 HD11 ILE 58 HD11 ILE 58 4.646 10.344 -1.710 498 HD12 ILE 58 HD12 ILE 58 6.362 10.749 -1.829 499 HD13 ILE 58 HD13 ILE 58 5.845 9.059 -1.845 500 H GLN 59 H GLN 59 8.835 10.487 -6.454 501 HA GLN 59 HA GLN 59 10.892 8.621 -6.190 502 HB2 GLN 59 HB2 GLN 59 10.815 11.035 -8.005 503 HB3 GLN 59 HB3 GLN 59 11.837 9.619 -8.220 504 HG2 GLN 59 HG2 GLN 59 9.888 8.224 -8.617 505 HG3 GLN 59 HG3 GLN 59 8.815 9.584 -8.296 506 HE21 GLN 59 HE21 GLN 59 7.849 9.474 -10.356 507 HE22 GLN 59 HE22 GLN 59 8.695 9.940 -11.775 508 H GLU 60 H GLU 60 11.011 12.153 -6.063 509 HA GLU 60 HA GLU 60 13.634 12.584 -5.237 510 HB2 GLU 60 HB2 GLU 60 11.085 14.062 -4.619 511 HB3 GLU 60 HB3 GLU 60 12.662 14.633 -4.107 512 HG2 GLU 60 HG2 GLU 60 11.938 14.099 -6.968 513 HG3 GLU 60 HG3 GLU 60 11.757 15.671 -6.192 514 H TYR 61 H TYR 61 10.716 12.204 -3.263 515 HA TYR 61 HA TYR 61 11.849 12.402 -0.764 516 HB2 TYR 61 HB2 TYR 61 9.466 12.500 -0.998 517 HB3 TYR 61 HB3 TYR 61 9.421 10.880 -1.686 518 HD1 TYR 61 HD1 TYR 61 10.433 12.638 1.452 519 HD2 TYR 61 HD2 TYR 61 8.840 9.110 -0.309 520 HE1 TYR 61 HE1 TYR 61 10.041 11.694 3.694 521 HE2 TYR 61 HE2 TYR 61 8.446 8.161 1.908 522 HH TYR 61 HH TYR 61 9.322 8.427 4.168 523 H LEU 62 H LEU 62 11.564 9.516 -2.781 524 HA LEU 62 HA LEU 62 12.351 7.738 -0.709 525 HB2 LEU 62 HB2 LEU 62 12.497 7.373 -3.693 526 HB3 LEU 62 HB3 LEU 62 12.682 6.099 -2.500 527 HG LEU 62 HG LEU 62 10.192 7.713 -2.996 528 HD11 LEU 62 HD11 LEU 62 10.816 4.829 -3.554 529 HD12 LEU 62 HD12 LEU 62 10.644 6.131 -4.740 530 HD13 LEU 62 HD13 LEU 62 9.251 5.626 -3.782 531 HD21 LEU 62 HD21 LEU 62 9.133 6.223 -1.375 532 HD22 LEU 62 HD22 LEU 62 10.441 7.166 -0.655 533 HD23 LEU 62 HD23 LEU 62 10.701 5.467 -1.049 534 H GLU 63 H GLU 63 14.159 9.022 -3.454 535 HA GLU 63 HA GLU 63 16.561 7.818 -2.539 536 HB2 GLU 63 HB2 GLU 63 17.696 9.151 -4.267 537 HB3 GLU 63 HB3 GLU 63 16.306 8.280 -4.888 538 HG2 GLU 63 HG2 GLU 63 14.989 10.363 -4.764 539 HG3 GLU 63 HG3 GLU 63 16.439 11.201 -4.213 540 H LYS 64 H LYS 64 15.034 10.840 -1.850 541 HA LYS 64 HA LYS 64 17.452 11.782 -0.613 542 HB2 LYS 64 HB2 LYS 64 14.856 13.134 -1.083 543 HB3 LYS 64 HB3 LYS 64 16.229 13.867 -0.236 544 HG2 LYS 64 HG2 LYS 64 17.651 13.421 -2.183 545 HG3 LYS 64 HG3 LYS 64 16.244 12.776 -3.023 546 HD2 LYS 64 HD2 LYS 64 15.162 14.916 -2.792 547 HD3 LYS 64 HD3 LYS 64 16.643 15.469 -1.955 548 HE2 LYS 64 HE2 LYS 64 17.983 15.097 -3.915 549 HE3 LYS 64 HE3 LYS 64 16.622 14.367 -4.759 550 HZ1 LYS 64 HZ1 LYS 64 16.796 17.213 -3.938 551 HZ2 LYS 64 HZ2 LYS 64 15.561 16.484 -4.887 552 HZ3 LYS 64 HZ3 LYS 64 17.119 16.600 -5.471 553 H ALA 65 H ALA 65 15.012 9.816 0.393 554 HA ALA 65 HA ALA 65 15.432 10.703 3.161 555 HB1 ALA 65 HB1 ALA 65 13.080 10.322 2.520 556 HB2 ALA 65 HB2 ALA 65 13.604 9.191 3.772 557 HB3 ALA 65 HB3 ALA 65 13.480 8.652 2.103 558 H LEU 66 H LEU 66 16.032 8.200 0.862 559 HA LEU 66 HA LEU 66 17.103 6.413 2.890 560 HB2 LEU 66 HB2 LEU 66 16.876 6.028 -0.085 561 HB3 LEU 66 HB3 LEU 66 17.355 4.804 1.075 562 HG LEU 66 HG LEU 66 14.650 6.106 0.854 563 HD11 LEU 66 HD11 LEU 66 13.879 3.869 0.282 564 HD12 LEU 66 HD12 LEU 66 15.545 3.291 0.324 565 HD13 LEU 66 HD13 LEU 66 15.056 4.487 -0.877 566 HD21 LEU 66 HD21 LEU 66 15.120 5.718 3.174 567 HD22 LEU 66 HD22 LEU 66 15.666 4.073 2.838 568 HD23 LEU 66 HD23 LEU 66 13.969 4.516 2.622 569 H ASN 67 H ASN 67 18.323 7.893 -0.138 570 HA ASN 67 HA ASN 67 21.026 7.127 0.398 571 HB2 ASN 67 HB2 ASN 67 20.248 7.546 -1.908 572 HB3 ASN 67 HB3 ASN 67 19.923 9.226 -1.497 573 HD21 ASN 67 HD21 ASN 67 21.320 10.076 -3.019 574 HD22 ASN 67 HD22 ASN 67 23.031 9.905 -2.911 575 H LYS 68 H LYS 68 19.070 9.929 1.002 576 HA LYS 68 HA LYS 68 21.331 11.141 2.367 577 HB2 LYS 68 HB2 LYS 68 20.487 12.493 0.447 578 HB3 LYS 68 HB3 LYS 68 18.890 12.482 1.163 579 HG2 LYS 68 HG2 LYS 68 21.146 13.688 2.711 580 HG3 LYS 68 HG3 LYS 68 20.475 14.577 1.350 581 HD2 LYS 68 HD2 LYS 68 18.837 13.502 3.635 582 HD3 LYS 68 HD3 LYS 68 19.475 15.150 3.596 583 HE2 LYS 68 HE2 LYS 68 18.217 15.580 1.532 584 HE3 LYS 68 HE3 LYS 68 17.610 13.931 1.545 585 HZ1 LYS 68 HZ1 LYS 68 15.987 15.441 2.392 586 HZ2 LYS 68 HZ2 LYS 68 17.040 16.003 3.592 587 HZ3 LYS 68 HZ3 LYS 68 16.496 14.406 3.619 Start of MODEL 20 1 H LYS 1 H LYS 1 -20.915 -7.552 -4.165 2 HA LYS 1 HA LYS 1 -20.950 -9.081 -2.282 3 HB2 LYS 1 HB2 LYS 1 -19.902 -9.790 -4.396 4 HB3 LYS 1 HB3 LYS 1 -18.375 -9.100 -3.876 5 HG2 LYS 1 HG2 LYS 1 -18.309 -10.722 -2.012 6 HG3 LYS 1 HG3 LYS 1 -19.791 -11.452 -2.623 7 HD2 LYS 1 HD2 LYS 1 -17.166 -11.257 -4.106 8 HD3 LYS 1 HD3 LYS 1 -17.804 -12.705 -3.326 9 HE2 LYS 1 HE2 LYS 1 -19.722 -12.675 -4.855 10 HE3 LYS 1 HE3 LYS 1 -19.087 -11.222 -5.620 11 HZ1 LYS 1 HZ1 LYS 1 -17.736 -13.857 -5.556 12 HZ2 LYS 1 HZ2 LYS 1 -17.123 -12.482 -6.277 13 HZ3 LYS 1 HZ3 LYS 1 -18.520 -13.197 -6.890 14 HA PRO 2 HA PRO 2 -18.470 -7.702 1.248 15 HB2 PRO 2 HB2 PRO 2 -18.869 -10.531 2.083 16 HB3 PRO 2 HB3 PRO 2 -19.219 -9.050 2.982 17 HG2 PRO 2 HG2 PRO 2 -21.186 -10.522 1.947 18 HG3 PRO 2 HG3 PRO 2 -21.264 -8.751 1.963 19 HD2 PRO 2 HD2 PRO 2 -20.668 -10.603 -0.303 20 HD3 PRO 2 HD3 PRO 2 -21.577 -9.078 -0.288 21 H VAL 3 H VAL 3 -16.303 -7.742 1.209 22 HA VAL 3 HA VAL 3 -15.001 -9.588 -0.541 23 HB VAL 3 HB VAL 3 -13.818 -7.377 1.150 24 HG11 VAL 3 HG11 VAL 3 -12.634 -8.948 -1.131 25 HG12 VAL 3 HG12 VAL 3 -12.182 -9.091 0.567 26 HG13 VAL 3 HG13 VAL 3 -11.854 -7.594 -0.305 27 HG21 VAL 3 HG21 VAL 3 -15.398 -6.541 -0.523 28 HG22 VAL 3 HG22 VAL 3 -14.552 -7.438 -1.779 29 HG23 VAL 3 HG23 VAL 3 -13.742 -6.107 -0.956 30 H SER 4 H SER 4 -14.654 -11.501 0.127 31 HA SER 4 HA SER 4 -13.916 -12.079 2.888 32 HB2 SER 4 HB2 SER 4 -14.559 -13.946 0.607 33 HB3 SER 4 HB3 SER 4 -14.440 -14.367 2.316 34 HG SER 4 HG SER 4 -16.115 -12.363 2.145 35 H LEU 5 H LEU 5 -12.826 -12.755 -0.464 36 HA LEU 5 HA LEU 5 -10.120 -12.942 0.578 37 HB2 LEU 5 HB2 LEU 5 -11.363 -14.902 -1.342 38 HB3 LEU 5 HB3 LEU 5 -9.640 -14.767 -1.090 39 HG LEU 5 HG LEU 5 -11.668 -15.587 1.001 40 HD11 LEU 5 HD11 LEU 5 -11.336 -17.287 -0.715 41 HD12 LEU 5 HD12 LEU 5 -10.616 -17.789 0.814 42 HD13 LEU 5 HD13 LEU 5 -9.590 -17.189 -0.488 43 HD21 LEU 5 HD21 LEU 5 -9.780 -14.417 2.013 44 HD22 LEU 5 HD22 LEU 5 -8.650 -15.442 1.127 45 HD23 LEU 5 HD23 LEU 5 -9.693 -16.136 2.369 46 H SER 6 H SER 6 -9.740 -10.932 -0.093 47 HA SER 6 HA SER 6 -8.726 -10.815 -2.770 48 HB2 SER 6 HB2 SER 6 -10.672 -8.675 -1.806 49 HB3 SER 6 HB3 SER 6 -9.774 -8.644 -3.313 50 HG SER 6 HG SER 6 -11.188 -10.936 -3.019 51 H TYR 7 H TYR 7 -6.732 -10.693 -1.873 52 HA TYR 7 HA TYR 7 -6.295 -8.618 0.125 53 HB2 TYR 7 HB2 TYR 7 -5.634 -10.810 0.901 54 HB3 TYR 7 HB3 TYR 7 -4.652 -11.062 -0.538 55 HD1 TYR 7 HD1 TYR 7 -4.941 -8.956 2.514 56 HD2 TYR 7 HD2 TYR 7 -2.388 -10.373 -0.578 57 HE1 TYR 7 HE1 TYR 7 -2.992 -7.992 3.678 58 HE2 TYR 7 HE2 TYR 7 -0.444 -9.419 0.581 59 HH TYR 7 HH TYR 7 -0.586 -8.351 3.778 60 H ARG 8 H ARG 8 -5.451 -6.850 -0.512 61 HA ARG 8 HA ARG 8 -3.115 -6.945 -2.164 62 HB2 ARG 8 HB2 ARG 8 -4.773 -6.420 -3.877 63 HB3 ARG 8 HB3 ARG 8 -5.454 -5.136 -2.884 64 HG2 ARG 8 HG2 ARG 8 -3.302 -3.926 -3.025 65 HG3 ARG 8 HG3 ARG 8 -2.686 -5.190 -4.079 66 HD2 ARG 8 HD2 ARG 8 -5.096 -3.486 -4.689 67 HD3 ARG 8 HD3 ARG 8 -3.471 -3.145 -5.263 68 HE ARG 8 HE ARG 8 -4.154 -5.753 -5.966 69 HH11 ARG 8 HH11 ARG 8 -5.006 -2.428 -6.812 70 HH12 ARG 8 HH12 ARG 8 -5.441 -2.797 -8.405 71 HH21 ARG 8 HH21 ARG 8 -4.707 -6.256 -8.139 72 HH22 ARG 8 HH22 ARG 8 -5.273 -5.047 -9.204 73 H CYS 9 H CYS 9 -2.219 -6.649 -0.117 74 HA CYS 9 HA CYS 9 -1.067 -5.380 1.384 75 HB2 CYS 9 HB2 CYS 9 -1.827 -3.196 -0.557 76 HB3 CYS 9 HB3 CYS 9 -0.568 -3.061 0.668 77 HA PRO 10 HA PRO 10 -3.783 -3.152 4.331 78 HB2 PRO 10 HB2 PRO 10 -1.986 -0.769 4.241 79 HB3 PRO 10 HB3 PRO 10 -2.521 -1.706 5.642 80 HG2 PRO 10 HG2 PRO 10 -0.041 -1.985 4.801 81 HG3 PRO 10 HG3 PRO 10 -0.987 -3.424 5.234 82 HD2 PRO 10 HD2 PRO 10 -0.410 -2.300 2.526 83 HD3 PRO 10 HD3 PRO 10 -0.274 -3.984 3.082 84 H CYS 11 H CYS 11 -2.528 -1.344 1.583 85 HA CYS 11 HA CYS 11 -5.156 -0.065 1.302 86 HB2 CYS 11 HB2 CYS 11 -2.483 1.001 0.378 87 HB3 CYS 11 HB3 CYS 11 -4.041 1.793 0.183 88 H ARG 12 H ARG 12 -6.168 -0.634 -0.508 89 HA ARG 12 HA ARG 12 -4.738 -2.291 -2.445 90 HB2 ARG 12 HB2 ARG 12 -7.682 -1.643 -2.296 91 HB3 ARG 12 HB3 ARG 12 -6.930 -2.901 -3.261 92 HG2 ARG 12 HG2 ARG 12 -6.252 -4.060 -1.208 93 HG3 ARG 12 HG3 ARG 12 -7.033 -2.801 -0.259 94 HD2 ARG 12 HD2 ARG 12 -9.166 -3.349 -1.418 95 HD3 ARG 12 HD3 ARG 12 -8.318 -4.696 -2.185 96 HE ARG 12 HE ARG 12 -7.873 -4.971 0.485 97 HH11 ARG 12 HH11 ARG 12 -10.610 -5.072 -1.707 98 HH12 ARG 12 HH12 ARG 12 -11.653 -5.908 -0.656 99 HH21 ARG 12 HH21 ARG 12 -9.240 -6.097 1.967 100 HH22 ARG 12 HH22 ARG 12 -10.830 -6.539 1.559 101 H PHE 13 H PHE 13 -5.872 0.856 -1.955 102 HA PHE 13 HA PHE 13 -5.443 1.534 -4.763 103 HB2 PHE 13 HB2 PHE 13 -7.547 2.707 -2.920 104 HB3 PHE 13 HB3 PHE 13 -7.230 3.211 -4.575 105 HD1 PHE 13 HD1 PHE 13 -7.771 1.647 -6.439 106 HD2 PHE 13 HD2 PHE 13 -8.926 0.874 -2.421 107 HE1 PHE 13 HE1 PHE 13 -9.419 0.007 -7.228 108 HE2 PHE 13 HE2 PHE 13 -10.579 -0.769 -3.206 109 HZ PHE 13 HZ PHE 13 -10.822 -1.204 -5.614 110 H PHE 14 H PHE 14 -4.635 3.709 -4.996 111 HA PHE 14 HA PHE 14 -3.384 4.754 -2.535 112 HB2 PHE 14 HB2 PHE 14 -2.309 4.946 -5.341 113 HB3 PHE 14 HB3 PHE 14 -1.541 5.527 -3.877 114 HD1 PHE 14 HD1 PHE 14 -1.441 3.447 -2.046 115 HD2 PHE 14 HD2 PHE 14 -1.296 3.196 -6.278 116 HE1 PHE 14 HE1 PHE 14 -0.204 1.341 -1.875 117 HE2 PHE 14 HE2 PHE 14 -0.077 1.118 -6.138 118 HZ PHE 14 HZ PHE 14 0.485 0.151 -3.930 119 H GLU 15 H GLU 15 -3.500 6.972 -2.293 120 HA GLU 15 HA GLU 15 -5.065 8.221 -4.338 121 HB2 GLU 15 HB2 GLU 15 -4.335 9.435 -1.667 122 HB3 GLU 15 HB3 GLU 15 -5.083 10.320 -2.989 123 HG2 GLU 15 HG2 GLU 15 -6.870 8.773 -3.074 124 HG3 GLU 15 HG3 GLU 15 -6.202 7.926 -1.661 125 H SER 16 H SER 16 -4.060 8.712 -6.051 126 HA SER 16 HA SER 16 -1.287 9.450 -6.016 127 HB2 SER 16 HB2 SER 16 -1.573 9.408 -8.493 128 HB3 SER 16 HB3 SER 16 -2.068 7.913 -7.698 129 HG SER 16 HG SER 16 -3.977 8.201 -8.491 130 H HIS 17 H HIS 17 -4.322 10.979 -6.059 131 HA HIS 17 HA HIS 17 -3.367 13.413 -7.275 132 HB2 HIS 17 HB2 HIS 17 -6.058 12.675 -6.126 133 HB3 HIS 17 HB3 HIS 17 -5.676 14.283 -6.730 134 HD1 HIS 17 HD1 HIS 17 -5.112 14.447 -9.290 135 HD2 HIS 17 HD2 HIS 17 -6.707 10.814 -8.084 136 HE1 HIS 17 HE1 HIS 17 -5.842 13.314 -11.388 137 HE2 HIS 17 HE2 HIS 17 -6.556 11.005 -10.632 138 H VAL 18 H VAL 18 -2.381 12.329 -4.672 139 HA VAL 18 HA VAL 18 -3.006 14.507 -2.860 140 HB VAL 18 HB VAL 18 -1.331 11.991 -2.487 141 HG11 VAL 18 HG11 VAL 18 -1.214 12.613 -0.113 142 HG12 VAL 18 HG12 VAL 18 -2.028 14.134 -0.478 143 HG13 VAL 18 HG13 VAL 18 -0.426 13.815 -1.140 144 HG21 VAL 18 HG21 VAL 18 -3.743 11.530 -2.555 145 HG22 VAL 18 HG22 VAL 18 -4.035 12.764 -1.342 146 HG23 VAL 18 HG23 VAL 18 -3.155 11.299 -0.945 147 H ALA 19 H ALA 19 -1.694 16.147 -2.555 148 HA ALA 19 HA ALA 19 0.790 16.251 -4.112 149 HB1 ALA 19 HB1 ALA 19 -0.928 17.899 -4.677 150 HB2 ALA 19 HB2 ALA 19 0.503 18.687 -4.004 151 HB3 ALA 19 HB3 ALA 19 -0.937 18.459 -3.009 152 H ARG 20 H ARG 20 2.663 17.207 -3.144 153 HA ARG 20 HA ARG 20 3.309 16.308 -0.633 154 HB2 ARG 20 HB2 ARG 20 4.965 16.864 -2.326 155 HB3 ARG 20 HB3 ARG 20 4.543 18.565 -2.221 156 HG2 ARG 20 HG2 ARG 20 6.603 18.187 -1.072 157 HG3 ARG 20 HG3 ARG 20 5.365 18.568 0.130 158 HD2 ARG 20 HD2 ARG 20 5.132 16.129 0.524 159 HD3 ARG 20 HD3 ARG 20 6.467 15.869 -0.601 160 HE ARG 20 HE ARG 20 6.697 17.416 1.890 161 HH11 ARG 20 HH11 ARG 20 8.143 15.126 -0.433 162 HH12 ARG 20 HH12 ARG 20 9.552 14.904 0.484 163 HH21 ARG 20 HH21 ARG 20 8.689 17.065 3.121 164 HH22 ARG 20 HH22 ARG 20 9.878 15.995 2.530 165 H ALA 21 H ALA 21 1.969 19.393 -1.649 166 HA ALA 21 HA ALA 21 2.430 20.890 0.732 167 HB1 ALA 21 HB1 ALA 21 0.389 21.291 -1.404 168 HB2 ALA 21 HB2 ALA 21 2.039 21.931 -1.440 169 HB3 ALA 21 HB3 ALA 21 0.896 22.491 -0.201 170 H ASN 22 H ASN 22 0.290 18.405 0.111 171 HA ASN 22 HA ASN 22 -1.466 19.305 2.282 172 HB2 ASN 22 HB2 ASN 22 -2.603 18.983 0.084 173 HB3 ASN 22 HB3 ASN 22 -2.016 17.332 0.038 174 HD21 ASN 22 HD21 ASN 22 -4.112 16.624 -0.175 175 HD22 ASN 22 HD22 ASN 22 -5.208 16.550 1.169 176 H VAL 23 H VAL 23 1.196 17.776 1.890 177 HA VAL 23 HA VAL 23 0.468 15.434 3.481 178 HB VAL 23 HB VAL 23 3.011 15.970 1.953 179 HG11 VAL 23 HG11 VAL 23 2.321 13.703 3.778 180 HG12 VAL 23 HG12 VAL 23 3.680 14.819 3.895 181 HG13 VAL 23 HG13 VAL 23 3.616 13.638 2.585 182 HG21 VAL 23 HG21 VAL 23 0.850 13.902 1.567 183 HG22 VAL 23 HG22 VAL 23 2.318 14.035 0.604 184 HG23 VAL 23 HG23 VAL 23 1.120 15.316 0.547 185 H LYS 24 H LYS 24 0.645 15.549 5.458 186 HA LYS 24 HA LYS 24 2.123 17.528 6.943 187 HB2 LYS 24 HB2 LYS 24 -0.136 16.492 7.529 188 HB3 LYS 24 HB3 LYS 24 0.769 15.049 7.964 189 HG2 LYS 24 HG2 LYS 24 0.648 16.073 9.967 190 HG3 LYS 24 HG3 LYS 24 2.180 16.727 9.361 191 HD2 LYS 24 HD2 LYS 24 1.137 18.716 9.942 192 HD3 LYS 24 HD3 LYS 24 0.561 18.394 8.273 193 HE2 LYS 24 HE2 LYS 24 -1.304 19.017 9.745 194 HE3 LYS 24 HE3 LYS 24 -1.443 17.404 9.034 195 HZ1 LYS 24 HZ1 LYS 24 -0.532 17.973 11.810 196 HZ2 LYS 24 HZ2 LYS 24 -0.701 16.445 11.144 197 HZ3 LYS 24 HZ3 LYS 24 -2.051 17.413 11.380 198 H HIS 25 H HIS 25 1.982 14.050 6.678 199 HA HIS 25 HA HIS 25 4.704 13.704 7.737 200 HB2 HIS 25 HB2 HIS 25 3.083 13.160 9.462 201 HB3 HIS 25 HB3 HIS 25 2.141 12.216 8.332 202 HD1 HIS 25 HD1 HIS 25 4.849 11.961 10.792 203 HD2 HIS 25 HD2 HIS 25 3.399 9.738 7.598 204 HE1 HIS 25 HE1 HIS 25 5.723 9.654 11.156 205 HE2 HIS 25 HE2 HIS 25 4.435 8.298 9.490 206 H LEU 26 H LEU 26 5.922 12.274 6.493 207 HA LEU 26 HA LEU 26 4.494 10.723 4.467 208 HB2 LEU 26 HB2 LEU 26 5.499 12.809 3.552 209 HB3 LEU 26 HB3 LEU 26 7.057 12.281 4.130 210 HG LEU 26 HG LEU 26 7.036 10.427 2.518 211 HD11 LEU 26 HD11 LEU 26 4.620 10.059 2.430 212 HD12 LEU 26 HD12 LEU 26 5.288 10.326 0.820 213 HD13 LEU 26 HD13 LEU 26 4.409 11.624 1.633 214 HD21 LEU 26 HD21 LEU 26 7.209 11.795 0.501 215 HD22 LEU 26 HD22 LEU 26 7.989 12.555 1.883 216 HD23 LEU 26 HD23 LEU 26 6.409 13.125 1.343 217 H LYS 27 H LYS 27 4.823 8.617 5.036 218 HA LYS 27 HA LYS 27 7.361 7.797 6.219 219 HB2 LYS 27 HB2 LYS 27 5.275 7.799 7.740 220 HB3 LYS 27 HB3 LYS 27 4.580 6.728 6.582 221 HG2 LYS 27 HG2 LYS 27 5.425 5.538 8.498 222 HG3 LYS 27 HG3 LYS 27 6.171 5.036 6.979 223 HD2 LYS 27 HD2 LYS 27 8.097 6.522 7.503 224 HD3 LYS 27 HD3 LYS 27 7.349 6.847 9.072 225 HE2 LYS 27 HE2 LYS 27 7.366 4.534 9.576 226 HE3 LYS 27 HE3 LYS 27 8.020 4.225 7.955 227 HZ1 LYS 27 HZ1 LYS 27 10.025 5.419 8.535 228 HZ2 LYS 27 HZ2 LYS 27 9.827 4.181 9.628 229 HZ3 LYS 27 HZ3 LYS 27 9.459 5.767 10.080 230 H ILE 28 H ILE 28 8.208 5.846 5.213 231 HA ILE 28 HA ILE 28 6.633 4.984 2.903 232 HB ILE 28 HB ILE 28 9.549 4.272 3.432 233 HG12 ILE 28 HG12 ILE 28 8.303 6.506 1.893 234 HG13 ILE 28 HG13 ILE 28 9.358 6.674 3.298 235 HG21 ILE 28 HG21 ILE 28 8.105 2.931 1.715 236 HG22 ILE 28 HG22 ILE 28 9.588 3.714 1.137 237 HG23 ILE 28 HG23 ILE 28 8.050 4.508 0.865 238 HD11 ILE 28 HD11 ILE 28 11.141 5.550 1.855 239 HD12 ILE 28 HD12 ILE 28 10.610 7.191 1.355 240 HD13 ILE 28 HD13 ILE 28 9.939 5.798 0.550 241 H LEU 29 H LEU 29 5.940 2.896 2.657 242 HA LEU 29 HA LEU 29 6.254 1.191 5.014 243 HB2 LEU 29 HB2 LEU 29 4.013 2.104 4.766 244 HB3 LEU 29 HB3 LEU 29 3.938 1.538 3.114 245 HG LEU 29 HG LEU 29 4.025 -0.795 3.949 246 HD11 LEU 29 HD11 LEU 29 3.593 -1.226 6.319 247 HD12 LEU 29 HD12 LEU 29 3.776 0.495 6.660 248 HD13 LEU 29 HD13 LEU 29 5.146 -0.440 6.051 249 HD21 LEU 29 HD21 LEU 29 1.902 0.253 3.405 250 HD22 LEU 29 HD22 LEU 29 1.789 0.912 5.038 251 HD23 LEU 29 HD23 LEU 29 1.725 -0.831 4.785 252 H ASN 30 H ASN 30 7.026 -0.788 4.672 253 HA ASN 30 HA ASN 30 6.967 -1.870 1.961 254 HB2 ASN 30 HB2 ASN 30 9.149 -2.986 2.378 255 HB3 ASN 30 HB3 ASN 30 9.296 -1.237 2.410 256 HD21 ASN 30 HD21 ASN 30 9.896 -0.234 4.293 257 HD22 ASN 30 HD22 ASN 30 10.409 -1.071 5.706 258 H THR 31 H THR 31 6.435 -4.020 1.796 259 HA THR 31 HA THR 31 6.048 -5.514 4.245 260 HB THR 31 HB THR 31 3.773 -4.913 2.303 261 HG1 THR 31 HG1 THR 31 4.670 -3.718 4.516 262 HG21 THR 31 HG21 THR 31 3.752 -6.572 4.841 263 HG22 THR 31 HG22 THR 31 3.635 -7.221 3.206 264 HG23 THR 31 HG23 THR 31 2.346 -6.198 3.846 265 HA PRO 32 HA PRO 32 7.884 -8.682 1.668 266 HB2 PRO 32 HB2 PRO 32 6.115 -10.499 3.236 267 HB3 PRO 32 HB3 PRO 32 7.853 -10.607 2.943 268 HG2 PRO 32 HG2 PRO 32 6.992 -9.779 5.290 269 HG3 PRO 32 HG3 PRO 32 8.348 -8.952 4.505 270 HD2 PRO 32 HD2 PRO 32 5.494 -8.106 4.732 271 HD3 PRO 32 HD3 PRO 32 6.979 -7.143 4.872 272 H ASN 33 H ASN 33 4.426 -8.498 1.996 273 HA ASN 33 HA ASN 33 4.094 -10.212 -0.371 274 HB2 ASN 33 HB2 ASN 33 2.042 -9.296 1.653 275 HB3 ASN 33 HB3 ASN 33 1.690 -10.296 0.251 276 HD21 ASN 33 HD21 ASN 33 4.200 -11.859 0.513 277 HD22 ASN 33 HD22 ASN 33 3.941 -12.875 1.887 278 H CYS 34 H CYS 34 4.803 -7.209 -0.067 279 HA CYS 34 HA CYS 34 3.000 -6.302 -2.167 280 HB2 CYS 34 HB2 CYS 34 3.577 -4.798 0.370 281 HB3 CYS 34 HB3 CYS 34 2.844 -4.097 -1.054 282 H ALA 35 H ALA 35 3.782 -4.043 -2.791 283 HA ALA 35 HA ALA 35 6.662 -4.099 -3.173 284 HB1 ALA 35 HB1 ALA 35 6.118 -2.422 -4.913 285 HB2 ALA 35 HB2 ALA 35 4.425 -2.564 -4.409 286 HB3 ALA 35 HB3 ALA 35 5.232 -3.943 -5.162 287 H LEU 36 H LEU 36 7.196 -1.493 -3.527 288 HA LEU 36 HA LEU 36 6.820 -0.455 -0.928 289 HB2 LEU 36 HB2 LEU 36 8.389 0.542 -3.246 290 HB3 LEU 36 HB3 LEU 36 8.008 1.632 -1.933 291 HG LEU 36 HG LEU 36 10.193 0.727 -1.623 292 HD11 LEU 36 HD11 LEU 36 8.260 -0.453 0.358 293 HD12 LEU 36 HD12 LEU 36 8.893 1.190 0.362 294 HD13 LEU 36 HD13 LEU 36 9.978 -0.173 0.626 295 HD21 LEU 36 HD21 LEU 36 8.848 -1.943 -1.626 296 HD22 LEU 36 HD22 LEU 36 10.547 -1.688 -1.203 297 HD23 LEU 36 HD23 LEU 36 9.978 -1.373 -2.857 298 H GLN 37 H GLN 37 5.791 0.966 -0.217 299 HA GLN 37 HA GLN 37 3.844 2.406 -1.827 300 HB2 GLN 37 HB2 GLN 37 3.238 0.437 0.339 301 HB3 GLN 37 HB3 GLN 37 2.083 1.676 -0.142 302 HG2 GLN 37 HG2 GLN 37 1.831 0.811 -2.292 303 HG3 GLN 37 HG3 GLN 37 3.328 -0.101 -2.195 304 HE21 GLN 37 HE21 GLN 37 2.854 -1.232 0.310 305 HE22 GLN 37 HE22 GLN 37 1.607 -2.406 0.066 306 H ILE 38 H ILE 38 3.372 4.409 -0.904 307 HA ILE 38 HA ILE 38 4.927 4.897 1.523 308 HB ILE 38 HB ILE 38 4.344 6.915 -0.674 309 HG12 ILE 38 HG12 ILE 38 6.692 5.127 -0.136 310 HG13 ILE 38 HG13 ILE 38 5.690 5.147 -1.571 311 HG21 ILE 38 HG21 ILE 38 6.122 8.205 0.432 312 HG22 ILE 38 HG22 ILE 38 6.288 6.930 1.640 313 HG23 ILE 38 HG23 ILE 38 4.804 7.876 1.564 314 HD11 ILE 38 HD11 ILE 38 6.584 7.537 -1.871 315 HD12 ILE 38 HD12 ILE 38 7.647 6.144 -2.184 316 HD13 ILE 38 HD13 ILE 38 7.806 6.981 -0.668 317 H VAL 39 H VAL 39 4.076 6.209 3.075 318 HA VAL 39 HA VAL 39 1.145 6.556 2.921 319 HB VAL 39 HB VAL 39 2.904 5.926 5.316 320 HG11 VAL 39 HG11 VAL 39 1.170 7.421 6.058 321 HG12 VAL 39 HG12 VAL 39 0.838 5.816 6.647 322 HG13 VAL 39 HG13 VAL 39 -0.081 6.438 5.276 323 HG21 VAL 39 HG21 VAL 39 1.624 3.844 5.453 324 HG22 VAL 39 HG22 VAL 39 2.484 3.990 3.922 325 HG23 VAL 39 HG23 VAL 39 0.748 4.294 3.985 326 H ALA 40 H ALA 40 0.387 8.564 3.215 327 HA ALA 40 HA ALA 40 2.087 10.437 4.620 328 HB1 ALA 40 HB1 ALA 40 1.787 12.141 2.968 329 HB2 ALA 40 HB2 ALA 40 0.883 11.013 1.942 330 HB3 ALA 40 HB3 ALA 40 2.588 10.726 2.295 331 H ARG 41 H ARG 41 1.024 12.097 5.505 332 HA ARG 41 HA ARG 41 -1.830 11.517 5.853 333 HB2 ARG 41 HB2 ARG 41 -0.314 11.338 7.832 334 HB3 ARG 41 HB3 ARG 41 -0.072 13.064 7.682 335 HG2 ARG 41 HG2 ARG 41 -2.315 13.546 8.186 336 HG3 ARG 41 HG3 ARG 41 -2.784 11.855 8.031 337 HD2 ARG 41 HD2 ARG 41 -1.421 11.215 9.752 338 HD3 ARG 41 HD3 ARG 41 -0.767 12.851 9.965 339 HE ARG 41 HE ARG 41 -3.583 12.844 10.322 340 HH11 ARG 41 HH11 ARG 41 -0.661 11.734 11.910 341 HH12 ARG 41 HH12 ARG 41 -1.263 11.854 13.495 342 HH21 ARG 41 HH21 ARG 41 -4.456 13.024 12.499 343 HH22 ARG 41 HH22 ARG 41 -3.499 12.603 13.851 344 H LEU 42 H LEU 42 -3.257 12.861 5.453 345 HA LEU 42 HA LEU 42 -2.527 15.208 3.953 346 HB2 LEU 42 HB2 LEU 42 -5.180 14.138 4.797 347 HB3 LEU 42 HB3 LEU 42 -5.043 15.447 3.661 348 HG LEU 42 HG LEU 42 -4.283 12.567 3.318 349 HD11 LEU 42 HD11 LEU 42 -6.544 13.157 2.911 350 HD12 LEU 42 HD12 LEU 42 -5.737 12.745 1.388 351 HD13 LEU 42 HD13 LEU 42 -6.017 14.445 1.818 352 HD21 LEU 42 HD21 LEU 42 -3.382 13.141 1.121 353 HD22 LEU 42 HD22 LEU 42 -2.427 13.848 2.425 354 HD23 LEU 42 HD23 LEU 42 -3.547 14.854 1.507 355 H LYS 43 H LYS 43 -2.341 17.156 4.600 356 HA LYS 43 HA LYS 43 -2.382 17.870 7.355 357 HB2 LYS 43 HB2 LYS 43 -2.340 19.739 4.978 358 HB3 LYS 43 HB3 LYS 43 -1.862 20.146 6.616 359 HG2 LYS 43 HG2 LYS 43 -0.045 18.465 6.440 360 HG3 LYS 43 HG3 LYS 43 -0.521 18.192 4.776 361 HD2 LYS 43 HD2 LYS 43 1.376 19.680 4.815 362 HD3 LYS 43 HD3 LYS 43 -0.040 20.568 4.274 363 HE2 LYS 43 HE2 LYS 43 -0.302 21.587 6.434 364 HE3 LYS 43 HE3 LYS 43 0.980 20.592 7.117 365 HZ1 LYS 43 HZ1 LYS 43 2.540 21.707 5.614 366 HZ2 LYS 43 HZ2 LYS 43 1.764 22.810 6.627 367 HZ3 LYS 43 HZ3 LYS 43 1.283 22.682 5.030 368 H ASN 44 H ASN 44 -4.560 18.523 4.695 369 HA ASN 44 HA ASN 44 -6.323 20.090 6.347 370 HB2 ASN 44 HB2 ASN 44 -6.086 20.686 4.001 371 HB3 ASN 44 HB3 ASN 44 -6.645 19.091 3.513 372 HD21 ASN 44 HD21 ASN 44 -8.875 18.648 3.531 373 HD22 ASN 44 HD22 ASN 44 -10.030 19.875 3.835 374 H ASN 45 H ASN 45 -6.318 16.894 4.943 375 HA ASN 45 HA ASN 45 -9.025 16.404 5.879 376 HB2 ASN 45 HB2 ASN 45 -8.367 15.721 3.640 377 HB3 ASN 45 HB3 ASN 45 -7.171 14.618 4.312 378 HD21 ASN 45 HD21 ASN 45 -8.092 12.805 3.385 379 HD22 ASN 45 HD22 ASN 45 -9.591 12.208 3.902 380 H ASN 46 H ASN 46 -5.822 15.746 7.017 381 HA ASN 46 HA ASN 46 -5.069 14.897 8.959 382 HB2 ASN 46 HB2 ASN 46 -7.161 15.735 10.015 383 HB3 ASN 46 HB3 ASN 46 -7.970 14.233 9.604 384 HD21 ASN 46 HD21 ASN 46 -8.440 13.685 11.682 385 HD22 ASN 46 HD22 ASN 46 -7.252 13.265 12.852 386 H ARG 47 H ARG 47 -6.367 13.071 6.520 387 HA ARG 47 HA ARG 47 -6.303 10.477 7.712 388 HB2 ARG 47 HB2 ARG 47 -8.069 10.931 6.288 389 HB3 ARG 47 HB3 ARG 47 -7.050 11.753 5.126 390 HG2 ARG 47 HG2 ARG 47 -7.637 9.748 4.151 391 HG3 ARG 47 HG3 ARG 47 -5.955 9.743 4.764 392 HD2 ARG 47 HD2 ARG 47 -6.539 8.357 6.647 393 HD3 ARG 47 HD3 ARG 47 -8.259 8.501 6.280 394 HE ARG 47 HE ARG 47 -7.178 7.312 4.084 395 HH11 ARG 47 HH11 ARG 47 -7.284 6.544 7.559 396 HH12 ARG 47 HH12 ARG 47 -7.226 4.863 7.327 397 HH21 ARG 47 HH21 ARG 47 -7.106 4.915 3.800 398 HH22 ARG 47 HH22 ARG 47 -7.124 3.939 5.192 399 H GLN 48 H GLN 48 -4.546 9.080 7.525 400 HA GLN 48 HA GLN 48 -2.397 9.729 5.711 401 HB2 GLN 48 HB2 GLN 48 -2.709 7.634 7.823 402 HB3 GLN 48 HB3 GLN 48 -1.501 7.432 6.570 403 HG2 GLN 48 HG2 GLN 48 -0.450 9.376 7.105 404 HG3 GLN 48 HG3 GLN 48 -1.711 9.866 8.211 405 HE21 GLN 48 HE21 GLN 48 -1.777 8.727 10.247 406 HE22 GLN 48 HE22 GLN 48 -0.390 7.873 10.834 407 H VAL 49 H VAL 49 -2.343 9.134 3.844 408 HA VAL 49 HA VAL 49 -4.014 6.835 2.975 409 HB VAL 49 HB VAL 49 -3.025 8.958 1.102 410 HG11 VAL 49 HG11 VAL 49 -3.685 6.951 0.053 411 HG12 VAL 49 HG12 VAL 49 -4.889 8.206 -0.286 412 HG13 VAL 49 HG13 VAL 49 -5.232 6.954 0.903 413 HG21 VAL 49 HG21 VAL 49 -4.386 10.236 2.595 414 HG22 VAL 49 HG22 VAL 49 -5.671 8.995 2.529 415 HG23 VAL 49 HG23 VAL 49 -5.255 9.898 1.077 416 H CYS 50 H CYS 50 -3.099 5.371 1.584 417 HA CYS 50 HA CYS 50 -0.263 5.340 1.346 418 HB2 CYS 50 HB2 CYS 50 -2.436 3.595 0.242 419 HB3 CYS 50 HB3 CYS 50 -0.727 3.313 -0.048 420 H ILE 51 H ILE 51 0.826 6.108 -0.218 421 HA ILE 51 HA ILE 51 -0.511 7.381 -2.460 422 HB ILE 51 HB ILE 51 2.101 7.850 -1.042 423 HG12 ILE 51 HG12 ILE 51 -0.297 9.599 -1.514 424 HG13 ILE 51 HG13 ILE 51 0.147 8.834 0.015 425 HG21 ILE 51 HG21 ILE 51 2.578 8.080 -3.372 426 HG22 ILE 51 HG22 ILE 51 2.543 9.664 -2.574 427 HG23 ILE 51 HG23 ILE 51 1.171 9.133 -3.563 428 HD11 ILE 51 HD11 ILE 51 1.728 10.902 -1.472 429 HD12 ILE 51 HD12 ILE 51 2.138 10.203 0.091 430 HD13 ILE 51 HD13 ILE 51 0.695 11.203 -0.067 431 H ASP 52 H ASP 52 0.186 7.070 -4.520 432 HA ASP 52 HA ASP 52 1.335 4.562 -5.196 433 HB2 ASP 52 HB2 ASP 52 -0.403 5.556 -6.548 434 HB3 ASP 52 HB3 ASP 52 0.612 6.951 -6.926 435 HA PRO 53 HA PRO 53 5.541 5.979 -4.842 436 HB2 PRO 53 HB2 PRO 53 6.762 3.833 -5.930 437 HB3 PRO 53 HB3 PRO 53 5.986 3.783 -4.342 438 HG2 PRO 53 HG2 PRO 53 4.839 2.980 -6.997 439 HG3 PRO 53 HG3 PRO 53 4.901 2.031 -5.501 440 HD2 PRO 53 HD2 PRO 53 2.692 3.329 -6.140 441 HD3 PRO 53 HD3 PRO 53 3.292 3.351 -4.457 442 H LYS 54 H LYS 54 3.889 5.744 -7.778 443 HA LYS 54 HA LYS 54 6.254 6.273 -9.347 444 HB2 LYS 54 HB2 LYS 54 3.422 5.813 -10.183 445 HB3 LYS 54 HB3 LYS 54 4.749 6.140 -11.299 446 HG2 LYS 54 HG2 LYS 54 5.902 4.156 -10.595 447 HG3 LYS 54 HG3 LYS 54 4.697 3.863 -9.344 448 HD2 LYS 54 HD2 LYS 54 4.327 2.432 -11.223 449 HD3 LYS 54 HD3 LYS 54 3.012 3.606 -11.023 450 HE2 LYS 54 HE2 LYS 54 3.921 4.952 -12.834 451 HE3 LYS 54 HE3 LYS 54 5.277 3.833 -13.013 452 HZ1 LYS 54 HZ1 LYS 54 2.417 3.165 -13.470 453 HZ2 LYS 54 HZ2 LYS 54 3.712 2.118 -13.623 454 HZ3 LYS 54 HZ3 LYS 54 3.577 3.416 -14.673 455 H LEU 55 H LEU 55 4.002 8.086 -7.659 456 HA LEU 55 HA LEU 55 3.573 10.418 -9.217 457 HB2 LEU 55 HB2 LEU 55 4.046 10.062 -6.294 458 HB3 LEU 55 HB3 LEU 55 3.602 11.605 -6.955 459 HG LEU 55 HG LEU 55 1.964 9.066 -6.859 460 HD11 LEU 55 HD11 LEU 55 0.487 10.399 -5.463 461 HD12 LEU 55 HD12 LEU 55 1.539 11.799 -5.681 462 HD13 LEU 55 HD13 LEU 55 2.130 10.398 -4.810 463 HD21 LEU 55 HD21 LEU 55 1.554 10.188 -8.996 464 HD22 LEU 55 HD22 LEU 55 1.276 11.701 -8.109 465 HD23 LEU 55 HD23 LEU 55 0.179 10.347 -7.889 466 H LYS 56 H LYS 56 4.657 12.192 -9.709 467 HA LYS 56 HA LYS 56 7.428 11.966 -10.096 468 HB2 LYS 56 HB2 LYS 56 6.078 13.436 -11.503 469 HB3 LYS 56 HB3 LYS 56 5.743 14.482 -10.133 470 HG2 LYS 56 HG2 LYS 56 8.160 14.974 -9.950 471 HG3 LYS 56 HG3 LYS 56 8.440 14.005 -11.393 472 HD2 LYS 56 HD2 LYS 56 7.033 15.529 -12.686 473 HD3 LYS 56 HD3 LYS 56 6.725 16.486 -11.231 474 HE2 LYS 56 HE2 LYS 56 9.157 16.914 -11.042 475 HE3 LYS 56 HE3 LYS 56 9.407 16.030 -12.543 476 HZ1 LYS 56 HZ1 LYS 56 8.045 17.695 -13.687 477 HZ2 LYS 56 HZ2 LYS 56 9.370 18.390 -12.905 478 HZ3 LYS 56 HZ3 LYS 56 7.837 18.524 -12.224 479 H TRP 57 H TRP 57 5.636 13.861 -7.683 480 HA TRP 57 HA TRP 57 7.987 14.924 -6.527 481 HB2 TRP 57 HB2 TRP 57 6.598 15.724 -4.711 482 HB3 TRP 57 HB3 TRP 57 5.784 16.017 -6.229 483 HD1 TRP 57 HD1 TRP 57 3.451 14.482 -6.644 484 HE1 TRP 57 HE1 TRP 57 1.885 13.418 -4.827 485 HE3 TRP 57 HE3 TRP 57 6.568 14.531 -2.632 486 HZ2 TRP 57 HZ2 TRP 57 1.964 12.728 -2.259 487 HZ3 TRP 57 HZ3 TRP 57 5.803 13.641 -0.546 488 HH2 TRP 57 HH2 TRP 57 3.512 12.728 -0.301 489 H ILE 58 H ILE 58 6.323 11.982 -6.168 490 HA ILE 58 HA ILE 58 7.480 11.196 -3.727 491 HB ILE 58 HB ILE 58 5.943 9.826 -5.898 492 HG12 ILE 58 HG12 ILE 58 4.710 11.206 -4.311 493 HG13 ILE 58 HG13 ILE 58 4.263 9.509 -4.182 494 HG21 ILE 58 HG21 ILE 58 7.161 8.424 -3.562 495 HG22 ILE 58 HG22 ILE 58 7.420 8.118 -5.299 496 HG23 ILE 58 HG23 ILE 58 5.832 7.832 -4.560 497 HD11 ILE 58 HD11 ILE 58 4.436 10.543 -2.001 498 HD12 ILE 58 HD12 ILE 58 6.112 10.988 -2.311 499 HD13 ILE 58 HD13 ILE 58 5.652 9.289 -2.199 500 H GLN 59 H GLN 59 8.262 10.774 -7.169 501 HA GLN 59 HA GLN 59 10.397 8.968 -6.773 502 HB2 GLN 59 HB2 GLN 59 9.980 10.933 -9.031 503 HB3 GLN 59 HB3 GLN 59 11.194 9.662 -9.018 504 HG2 GLN 59 HG2 GLN 59 9.408 7.981 -8.875 505 HG3 GLN 59 HG3 GLN 59 8.211 9.274 -8.951 506 HE21 GLN 59 HE21 GLN 59 8.702 7.030 -10.763 507 HE22 GLN 59 HE22 GLN 59 8.981 7.733 -12.309 508 H GLU 60 H GLU 60 10.296 12.488 -6.920 509 HA GLU 60 HA GLU 60 13.025 13.008 -6.500 510 HB2 GLU 60 HB2 GLU 60 10.594 14.550 -5.582 511 HB3 GLU 60 HB3 GLU 60 12.235 15.133 -5.380 512 HG2 GLU 60 HG2 GLU 60 10.899 14.529 -8.003 513 HG3 GLU 60 HG3 GLU 60 11.136 16.135 -7.311 514 H TYR 61 H TYR 61 10.535 12.037 -4.378 515 HA TYR 61 HA TYR 61 12.009 12.447 -1.963 516 HB2 TYR 61 HB2 TYR 61 9.612 12.573 -1.859 517 HB3 TYR 61 HB3 TYR 61 9.442 10.987 -2.588 518 HD1 TYR 61 HD1 TYR 61 10.908 12.612 0.444 519 HD2 TYR 61 HD2 TYR 61 9.003 9.204 -1.224 520 HE1 TYR 61 HE1 TYR 61 10.740 11.623 2.692 521 HE2 TYR 61 HE2 TYR 61 8.819 8.191 0.977 522 HH TYR 61 HH TYR 61 9.284 9.897 3.874 523 H LEU 62 H LEU 62 11.067 9.613 -3.863 524 HA LEU 62 HA LEU 62 12.331 7.694 -2.280 525 HB2 LEU 62 HB2 LEU 62 11.538 7.659 -5.164 526 HB3 LEU 62 HB3 LEU 62 12.224 6.269 -4.349 527 HG LEU 62 HG LEU 62 9.673 7.639 -3.523 528 HD11 LEU 62 HD11 LEU 62 10.159 5.071 -5.034 529 HD12 LEU 62 HD12 LEU 62 9.467 6.553 -5.695 530 HD13 LEU 62 HD13 LEU 62 8.592 5.651 -4.458 531 HD21 LEU 62 HD21 LEU 62 9.442 5.593 -2.124 532 HD22 LEU 62 HD22 LEU 62 10.823 6.599 -1.703 533 HD23 LEU 62 HD23 LEU 62 11.070 5.130 -2.636 534 H GLU 63 H GLU 63 13.457 9.127 -5.292 535 HA GLU 63 HA GLU 63 15.879 7.616 -5.282 536 HB2 GLU 63 HB2 GLU 63 15.250 10.149 -6.794 537 HB3 GLU 63 HB3 GLU 63 16.585 9.054 -7.125 538 HG2 GLU 63 HG2 GLU 63 14.915 7.268 -7.594 539 HG3 GLU 63 HG3 GLU 63 13.664 8.497 -7.378 540 H LYS 64 H LYS 64 15.017 10.471 -3.682 541 HA LYS 64 HA LYS 64 17.827 11.012 -3.229 542 HB2 LYS 64 HB2 LYS 64 15.385 12.683 -2.692 543 HB3 LYS 64 HB3 LYS 64 16.929 13.075 -1.963 544 HG2 LYS 64 HG2 LYS 64 16.545 14.422 -3.970 545 HG3 LYS 64 HG3 LYS 64 17.926 13.358 -4.188 546 HD2 LYS 64 HD2 LYS 64 16.481 11.801 -5.464 547 HD3 LYS 64 HD3 LYS 64 15.138 12.925 -5.270 548 HE2 LYS 64 HE2 LYS 64 17.739 13.572 -6.653 549 HE3 LYS 64 HE3 LYS 64 16.257 13.078 -7.469 550 HZ1 LYS 64 HZ1 LYS 64 16.511 15.557 -5.801 551 HZ2 LYS 64 HZ2 LYS 64 15.182 15.105 -6.742 552 HZ3 LYS 64 HZ3 LYS 64 16.629 15.464 -7.465 553 H ALA 65 H ALA 65 14.954 9.974 -1.438 554 HA ALA 65 HA ALA 65 16.368 10.057 1.047 555 HB1 ALA 65 HB1 ALA 65 13.941 10.440 0.958 556 HB2 ALA 65 HB2 ALA 65 14.359 9.096 2.018 557 HB3 ALA 65 HB3 ALA 65 13.705 8.781 0.412 558 H LEU 66 H LEU 66 15.435 7.507 -1.256 559 HA LEU 66 HA LEU 66 16.465 5.495 0.475 560 HB2 LEU 66 HB2 LEU 66 15.480 5.363 -2.363 561 HB3 LEU 66 HB3 LEU 66 16.246 3.985 -1.604 562 HG LEU 66 HG LEU 66 14.470 3.940 0.108 563 HD11 LEU 66 HD11 LEU 66 13.199 6.127 -1.490 564 HD12 LEU 66 HD12 LEU 66 13.851 6.282 0.144 565 HD13 LEU 66 HD13 LEU 66 12.446 5.256 -0.155 566 HD21 LEU 66 HD21 LEU 66 12.662 3.158 -1.340 567 HD22 LEU 66 HD22 LEU 66 14.241 2.575 -1.853 568 HD23 LEU 66 HD23 LEU 66 13.465 3.900 -2.727 569 H ASN 67 H ASN 67 17.783 7.417 -2.024 570 HA ASN 67 HA ASN 67 20.204 5.988 -2.368 571 HB2 ASN 67 HB2 ASN 67 19.567 7.843 -3.850 572 HB3 ASN 67 HB3 ASN 67 19.705 8.970 -2.506 573 HD21 ASN 67 HD21 ASN 67 21.289 10.208 -3.443 574 HD22 ASN 67 HD22 ASN 67 22.902 9.657 -3.679 575 H LYS 68 H LYS 68 19.114 8.364 -0.018 576 HA LYS 68 HA LYS 68 21.712 8.508 1.244 577 HB2 LYS 68 HB2 LYS 68 20.372 10.528 0.839 578 HB3 LYS 68 HB3 LYS 68 19.125 9.906 1.906 579 HG2 LYS 68 HG2 LYS 68 20.684 9.965 3.780 580 HG3 LYS 68 HG3 LYS 68 21.950 10.559 2.709 581 HD2 LYS 68 HD2 LYS 68 19.354 11.963 3.324 582 HD3 LYS 68 HD3 LYS 68 20.935 12.375 3.993 583 HE2 LYS 68 HE2 LYS 68 20.143 12.504 1.073 584 HE3 LYS 68 HE3 LYS 68 20.325 13.873 2.157 585 HZ1 LYS 68 HZ1 LYS 68 22.671 13.337 2.390 586 HZ2 LYS 68 HZ2 LYS 68 22.276 13.585 0.771 587 HZ3 LYS 68 HZ3 LYS 68 22.512 12.027 1.343
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