NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
627955 | 5xs1 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 1 HN GLN 1 -17.999 8.768 5.783 2 HA GLN 1 HA GLN 1 -16.402 8.999 3.435 3 HB2 GLN 1 HB2 GLN 1 -16.257 7.638 5.998 4 HB3 GLN 1 HB1 GLN 1 -15.669 6.622 4.690 5 HG2 GLN 1 HG2 GLN 1 -14.283 8.683 4.009 6 HG3 GLN 1 HG1 GLN 1 -14.632 9.259 5.639 7 HE21 GLN 1 HE21 GLN 1 -12.057 8.745 4.728 8 HE22 GLN 1 HE22 GLN 1 -11.413 7.404 5.605 9 H ILE 2 HN ILE 2 -15.673 6.745 2.429 10 HA ILE 2 HA ILE 2 -17.823 4.885 1.985 11 HB ILE 2 HB ILE 2 -18.490 6.705 0.472 12 HG12 ILE 2 HG12 ILE 2 -17.445 4.569 -1.341 13 HG13 ILE 2 HG11 ILE 2 -18.573 4.118 -0.067 14 HG21 ILE 2 HG21 ILE 2 -17.142 7.695 -1.066 15 HG22 ILE 2 HG22 ILE 2 -16.160 6.250 -1.301 16 HG23 ILE 2 HG23 ILE 2 -15.917 7.258 0.125 17 HD11 ILE 2 HD11 ILE 2 -19.126 6.271 -2.088 18 HD12 ILE 2 HD12 ILE 2 -20.259 5.535 -0.953 19 HD13 ILE 2 HD13 ILE 2 -19.605 4.586 -2.289 20 H PHE 3 HN PHE 3 -17.135 2.969 1.052 21 HA PHE 3 HA PHE 3 -14.453 2.257 1.365 22 HB2 PHE 3 HB2 PHE 3 -15.069 0.191 0.113 23 HB3 PHE 3 HB1 PHE 3 -16.195 0.580 1.410 24 HD1 PHE 3 HD1 PHE 3 -15.702 0.698 -2.249 25 HD2 PHE 3 HD2 PHE 3 -18.471 0.979 0.970 26 HE1 PHE 3 HE1 PHE 3 -17.567 0.626 -3.852 27 HE2 PHE 3 HE2 PHE 3 -20.341 0.905 -0.627 28 HZ PHE 3 HZ PHE 3 -19.890 0.728 -3.042 29 H ASP 4 HN ASP 4 -12.888 1.588 -0.244 30 HA ASP 4 HA ASP 4 -13.122 2.134 -2.983 31 HB2 ASP 4 HB2 ASP 4 -11.798 4.183 -3.190 32 HB3 ASP 4 HB1 ASP 4 -13.258 4.478 -2.252 33 H SER 5 HN SER 5 -10.659 2.719 -3.802 34 HA SER 5 HA SER 5 -8.802 0.970 -2.372 35 HB2 SER 5 HB2 SER 5 -8.100 -0.033 -4.530 36 HB3 SER 5 HB1 SER 5 -9.785 -0.391 -4.151 37 HG SER 5 HG SER 5 -10.391 0.710 -5.842 38 H SER 6 HN SER 6 -7.197 2.322 -1.818 39 HA SER 6 HA SER 6 -6.562 4.597 -3.471 40 HB2 SER 6 HB2 SER 6 -5.556 3.623 -0.811 41 HB3 SER 6 HB1 SER 6 -4.763 4.950 -1.658 42 HG SER 6 HG SER 6 -6.640 6.136 -1.526 43 H CYS 7 HN CYS 7 -5.791 1.545 -3.952 44 HA CYS 7 HA CYS 7 -3.199 2.437 -4.985 45 HB2 CYS 7 HB2 CYS 7 -3.312 -0.390 -5.165 46 HB3 CYS 7 HB1 CYS 7 -2.277 0.574 -4.124 47 H LYS 8 HN LYS 8 -2.984 2.419 -7.159 48 HA LYS 8 HA LYS 8 -5.083 1.088 -8.733 49 HB2 LYS 8 HB2 LYS 8 -4.124 3.914 -8.861 50 HB3 LYS 8 HB1 LYS 8 -4.590 3.119 -10.357 51 HG2 LYS 8 HG2 LYS 8 -6.535 2.767 -8.215 52 HG3 LYS 8 HG1 LYS 8 -6.274 4.453 -8.663 53 HD2 LYS 8 HD2 LYS 8 -7.475 4.188 -10.518 54 HD3 LYS 8 HD1 LYS 8 -6.450 2.847 -11.032 55 HE2 LYS 8 HE2 LYS 8 -7.870 1.265 -10.205 56 HE3 LYS 8 HE1 LYS 8 -8.459 2.312 -8.915 57 HZ1 LYS 8 HZ1 LYS 8 -9.936 1.718 -10.989 58 HZ2 LYS 8 HZ2 LYS 8 -9.124 3.036 -11.670 59 HZ3 LYS 8 HZ3 LYS 8 -10.026 3.239 -10.253 60 H GLY 9 HN GLY 9 -4.454 0.153 -10.625 61 HA2 GLY 9 HA2 GLY 9 -2.031 -1.028 -10.884 62 HA3 GLY 9 HA1 GLY 9 -3.056 -0.658 -12.255 63 H VAL 10 HN VAL 10 -2.699 2.306 -11.597 64 HA VAL 10 HA VAL 10 -0.580 2.673 -13.375 65 HB VAL 10 HB VAL 10 -1.796 4.856 -11.739 66 HG11 VAL 10 HG11 VAL 10 -1.152 6.310 -13.504 67 HG12 VAL 10 HG12 VAL 10 -0.718 4.957 -14.548 68 HG13 VAL 10 HG13 VAL 10 0.256 5.318 -13.123 69 HG21 VAL 10 HG21 VAL 10 -3.158 4.972 -14.064 70 HG22 VAL 10 HG22 VAL 10 -3.746 4.141 -12.624 71 HG23 VAL 10 HG23 VAL 10 -2.952 3.227 -13.906 72 H TYR 11 HN TYR 11 -0.718 3.767 -9.995 73 HA TYR 11 HA TYR 11 2.156 4.153 -10.198 74 HB2 TYR 11 HB2 TYR 11 0.245 5.397 -8.534 75 HB3 TYR 11 HB1 TYR 11 1.268 4.425 -7.475 76 HD1 TYR 11 HD1 TYR 11 1.023 7.617 -8.122 77 HD2 TYR 11 HD2 TYR 11 3.836 4.527 -8.923 78 HE1 TYR 11 HE1 TYR 11 2.813 9.292 -8.287 79 HE2 TYR 11 HE2 TYR 11 5.633 6.195 -9.078 80 HH TYR 11 HH TYR 11 5.377 9.289 -7.970 81 H ASP 12 HN ASP 12 -0.183 1.944 -9.502 82 HA ASP 12 HA ASP 12 1.194 0.212 -7.686 83 HB2 ASP 12 HB2 ASP 12 -1.241 0.129 -8.189 84 HB3 ASP 12 HB1 ASP 12 -0.821 -0.417 -9.804 85 H ARG 13 HN ARG 13 1.472 1.098 -10.940 86 HA ARG 13 HA ARG 13 2.592 -1.285 -11.921 87 HB2 ARG 13 HB2 ARG 13 1.536 0.379 -13.410 88 HB3 ARG 13 HB1 ARG 13 2.815 1.518 -13.011 89 HG2 ARG 13 HG2 ARG 13 4.208 -0.689 -13.870 90 HG3 ARG 13 HG1 ARG 13 2.791 -0.676 -14.921 91 HD2 ARG 13 HD2 ARG 13 3.976 1.963 -14.548 92 HD3 ARG 13 HD1 ARG 13 5.082 0.802 -15.279 93 HE ARG 13 HE ARG 13 3.778 0.781 -17.172 94 HH11 ARG 13 HH11 ARG 13 2.075 2.434 -14.610 95 HH12 ARG 13 HH12 ARG 13 0.831 3.032 -15.655 96 HH21 ARG 13 HH21 ARG 13 2.140 1.565 -18.544 97 HH22 ARG 13 HH22 ARG 13 0.866 2.538 -17.887 98 H ALA 14 HN ALA 14 3.707 1.777 -10.751 99 HA ALA 14 HA ALA 14 6.531 1.087 -10.907 100 HB1 ALA 14 HB1 ALA 14 5.265 3.472 -10.927 101 HB2 ALA 14 HB2 ALA 14 6.951 3.270 -10.451 102 HB3 ALA 14 HB3 ALA 14 5.693 3.364 -9.220 103 H ILE 15 HN ILE 15 3.967 1.250 -8.600 104 HA ILE 15 HA ILE 15 5.405 0.756 -6.257 105 HB ILE 15 HB ILE 15 2.559 0.718 -7.112 106 HG12 ILE 15 HG12 ILE 15 2.319 2.560 -5.807 107 HG13 ILE 15 HG11 ILE 15 3.398 1.948 -4.567 108 HG21 ILE 15 HG21 ILE 15 1.910 -0.885 -5.748 109 HG22 ILE 15 HG22 ILE 15 2.439 0.120 -4.400 110 HG23 ILE 15 HG23 ILE 15 3.534 -1.063 -5.098 111 HD11 ILE 15 HD11 ILE 15 4.154 4.008 -5.793 112 HD12 ILE 15 HD12 ILE 15 4.381 2.978 -7.207 113 HD13 ILE 15 HD13 ILE 15 5.311 2.677 -5.738 114 H PHE 16 HN PHE 16 3.784 -1.219 -8.669 115 HA PHE 16 HA PHE 16 3.710 -3.692 -7.556 116 HB2 PHE 16 HB2 PHE 16 2.920 -3.323 -9.816 117 HB3 PHE 16 HB1 PHE 16 4.558 -2.990 -10.366 118 HD1 PHE 16 HD1 PHE 16 2.427 -5.648 -8.891 119 HD2 PHE 16 HD2 PHE 16 5.887 -4.712 -11.186 120 HE1 PHE 16 HE1 PHE 16 2.713 -8.033 -9.425 121 HE2 PHE 16 HE2 PHE 16 6.179 -7.095 -11.725 122 HZ PHE 16 HZ PHE 16 4.591 -8.759 -10.843 123 H ASN 17 HN ASN 17 6.465 -2.163 -9.102 124 HA ASN 17 HA ASN 17 8.218 -4.334 -8.362 125 HB2 ASN 17 HB2 ASN 17 8.855 -1.691 -9.676 126 HB3 ASN 17 HB1 ASN 17 9.948 -3.063 -9.528 127 HD21 ASN 17 HD21 ASN 17 9.910 -4.595 -11.042 128 HD22 ASN 17 HD22 ASN 17 8.766 -4.687 -12.333 129 H GLU 18 HN GLU 18 7.431 -1.139 -7.099 130 HA GLU 18 HA GLU 18 9.788 -1.140 -5.446 131 HB2 GLU 18 HB2 GLU 18 7.616 0.905 -5.870 132 HB3 GLU 18 HB1 GLU 18 8.975 1.115 -4.774 133 HG2 GLU 18 HG2 GLU 18 10.108 0.386 -7.216 134 HG3 GLU 18 HG1 GLU 18 8.826 1.529 -7.615 135 H LEU 19 HN LEU 19 6.323 -0.550 -4.960 136 HA LEU 19 HA LEU 19 6.704 -1.155 -2.225 137 HB2 LEU 19 HB2 LEU 19 4.182 -0.347 -3.568 138 HB3 LEU 19 HB1 LEU 19 4.577 -0.176 -1.869 139 HG LEU 19 HG LEU 19 5.597 1.403 -4.214 140 HD11 LEU 19 HD11 LEU 19 4.792 2.617 -1.631 141 HD12 LEU 19 HD12 LEU 19 3.514 1.885 -2.600 142 HD13 LEU 19 HD13 LEU 19 4.512 3.170 -3.282 143 HD21 LEU 19 HD21 LEU 19 6.765 1.411 -1.427 144 HD22 LEU 19 HD22 LEU 19 7.236 2.455 -2.768 145 HD23 LEU 19 HD23 LEU 19 7.539 0.720 -2.853 146 H GLU 20 HN GLU 20 4.648 -2.296 -4.809 147 HA GLU 20 HA GLU 20 3.190 -4.075 -3.514 148 HB2 GLU 20 HB2 GLU 20 3.006 -3.661 -5.923 149 HB3 GLU 20 HB1 GLU 20 4.428 -4.661 -6.175 150 HG2 GLU 20 HG2 GLU 20 2.125 -5.832 -4.721 151 HG3 GLU 20 HG1 GLU 20 2.004 -5.620 -6.468 152 H HIS 21 HN HIS 21 6.546 -4.538 -4.439 153 HA HIS 21 HA HIS 21 6.770 -7.260 -3.747 154 HB2 HIS 21 HB2 HIS 21 8.693 -4.992 -3.993 155 HB3 HIS 21 HB1 HIS 21 9.217 -6.430 -3.120 156 HD1 HIS 21 HD1 HIS 21 9.906 -8.424 -4.489 157 HD2 HIS 21 HD2 HIS 21 8.040 -5.489 -6.762 158 HE1 HIS 21 HE1 HIS 21 10.196 -9.141 -6.882 159 HE2 HIS 21 HE2 HIS 21 9.126 -7.310 -8.243 160 H VAL 22 HN VAL 22 7.125 -4.266 -1.911 161 HA VAL 22 HA VAL 22 7.920 -5.315 0.542 162 HB VAL 22 HB VAL 22 5.952 -3.042 0.248 163 HG11 VAL 22 HG11 VAL 22 8.123 -3.503 2.288 164 HG12 VAL 22 HG12 VAL 22 6.427 -3.919 2.528 165 HG13 VAL 22 HG13 VAL 22 6.897 -2.235 2.302 166 HG21 VAL 22 HG21 VAL 22 8.939 -3.052 -0.136 167 HG22 VAL 22 HG22 VAL 22 8.008 -1.589 0.182 168 HG23 VAL 22 HG23 VAL 22 7.702 -2.529 -1.278 169 H CYS 23 HN CYS 23 4.727 -5.052 -0.937 170 HA CYS 23 HA CYS 23 3.293 -6.047 1.316 171 HB2 CYS 23 HB2 CYS 23 1.450 -5.704 0.073 172 HB3 CYS 23 HB1 CYS 23 2.545 -4.876 -1.017 173 H ASN 24 HN ASN 24 4.595 -7.512 -1.633 174 HA ASN 24 HA ASN 24 3.762 -10.143 -1.177 175 HB2 ASN 24 HB2 ASN 24 5.650 -8.795 -2.903 176 HB3 ASN 24 HB1 ASN 24 6.370 -10.273 -2.273 177 HD21 ASN 24 HD21 ASN 24 4.656 -12.143 -2.261 178 HD22 ASN 24 HD22 ASN 24 3.849 -12.370 -3.771 179 H ASP 25 HN ASP 25 6.187 -8.133 0.243 180 HA ASP 25 HA ASP 25 7.548 -10.276 1.629 181 HB2 ASP 25 HB2 ASP 25 8.560 -8.022 0.889 182 HB3 ASP 25 HB1 ASP 25 7.752 -7.346 2.300 183 H CYS 26 HN CYS 26 5.379 -7.580 2.545 184 HA CYS 26 HA CYS 26 5.173 -8.152 5.261 185 HB2 CYS 26 HB2 CYS 26 3.025 -7.024 3.452 186 HB3 CYS 26 HB1 CYS 26 3.077 -6.882 5.206 187 H TYR 27 HN TYR 27 3.793 -9.770 2.532 188 HA TYR 27 HA TYR 27 1.548 -11.003 3.506 189 HB2 TYR 27 HB2 TYR 27 2.288 -11.300 1.214 190 HB3 TYR 27 HB1 TYR 27 3.716 -12.178 1.750 191 HD1 TYR 27 HD1 TYR 27 3.335 -14.196 0.556 192 HD2 TYR 27 HD2 TYR 27 0.319 -12.655 3.129 193 HE1 TYR 27 HE1 TYR 27 2.104 -16.316 0.371 194 HE2 TYR 27 HE2 TYR 27 -0.921 -14.770 2.951 195 HH TYR 27 HH TYR 27 -0.541 -17.088 2.407 196 H ASN 28 HN ASN 28 4.885 -11.665 4.311 197 HA ASN 28 HA ASN 28 4.491 -14.178 5.549 198 HB2 ASN 28 HB2 ASN 28 6.646 -12.094 5.666 199 HB3 ASN 28 HB1 ASN 28 6.682 -13.461 6.775 200 HD21 ASN 28 HD21 ASN 28 7.631 -15.247 6.104 201 HD22 ASN 28 HD22 ASN 28 8.014 -15.636 4.465 202 H LEU 29 HN LEU 29 4.344 -10.860 6.727 203 HA LEU 29 HA LEU 29 4.250 -11.371 9.471 204 HB2 LEU 29 HB2 LEU 29 3.250 -9.162 7.725 205 HB3 LEU 29 HB1 LEU 29 2.772 -9.195 9.412 206 HG LEU 29 HG LEU 29 5.435 -9.496 9.698 207 HD11 LEU 29 HD11 LEU 29 5.372 -9.127 7.049 208 HD12 LEU 29 HD12 LEU 29 6.704 -8.580 8.068 209 HD13 LEU 29 HD13 LEU 29 5.448 -7.445 7.574 210 HD21 LEU 29 HD21 LEU 29 3.593 -7.184 9.682 211 HD22 LEU 29 HD22 LEU 29 5.319 -6.823 9.710 212 HD23 LEU 29 HD23 LEU 29 4.606 -7.822 10.977 213 H TYR 30 HN TYR 30 1.457 -10.640 7.369 214 HA TYR 30 HA TYR 30 -0.339 -11.815 9.318 215 HB2 TYR 30 HB2 TYR 30 -0.657 -9.709 7.689 216 HB3 TYR 30 HB1 TYR 30 -1.340 -10.960 6.655 217 HD1 TYR 30 HD1 TYR 30 -1.599 -9.510 10.073 218 HD2 TYR 30 HD2 TYR 30 -3.546 -11.660 6.961 219 HE1 TYR 30 HE1 TYR 30 -3.721 -9.359 11.305 220 HE2 TYR 30 HE2 TYR 30 -5.674 -11.515 8.184 221 HH TYR 30 HH TYR 30 -6.717 -10.092 9.900 222 H ARG 31 HN ARG 31 -2.192 -13.191 8.300 223 HA ARG 31 HA ARG 31 -0.889 -15.475 7.043 224 HB2 ARG 31 HB2 ARG 31 -2.328 -15.725 9.087 225 HB3 ARG 31 HB1 ARG 31 -3.712 -15.276 8.099 226 HG2 ARG 31 HG2 ARG 31 -3.936 -17.483 7.816 227 HG3 ARG 31 HG1 ARG 31 -2.654 -17.285 6.619 228 HD2 ARG 31 HD2 ARG 31 -0.982 -17.835 8.308 229 HD3 ARG 31 HD1 ARG 31 -2.251 -18.002 9.521 230 HE ARG 31 HE ARG 31 -2.724 -20.082 8.691 231 HH11 ARG 31 HH11 ARG 31 -0.768 -18.359 6.369 232 HH12 ARG 31 HH12 ARG 31 -0.535 -19.742 5.353 233 HH21 ARG 31 HH21 ARG 31 -2.418 -21.901 7.356 234 HH22 ARG 31 HH22 ARG 31 -1.471 -21.753 5.913 235 H THR 32 HN THR 32 -3.874 -13.576 6.572 236 HA THR 32 HA THR 32 -3.543 -13.442 3.761 237 HB THR 32 HB THR 32 -4.163 -15.779 3.801 238 HG1 THR 32 HG1 THR 32 -6.521 -14.430 3.051 239 HG21 THR 32 HG21 THR 32 -5.361 -16.450 5.569 240 HG22 THR 32 HG22 THR 32 -6.737 -16.061 4.536 241 HG23 THR 32 HG23 THR 32 -6.180 -14.898 5.740 242 H SER 33 HN SER 33 -5.662 -12.651 2.700 243 HA SER 33 HA SER 33 -7.432 -11.218 2.618 244 HB2 SER 33 HB2 SER 33 -8.929 -11.089 4.358 245 HB3 SER 33 HB1 SER 33 -8.035 -12.525 4.851 246 HG SER 33 HG SER 33 -8.356 -10.837 6.491 247 H HIS 34 HN HIS 34 -5.532 -10.370 5.503 248 HA HIS 34 HA HIS 34 -5.697 -7.581 5.040 249 HB2 HIS 34 HB2 HIS 34 -5.047 -9.027 7.194 250 HB3 HIS 34 HB1 HIS 34 -3.422 -8.670 6.618 251 HD1 HIS 34 HD1 HIS 34 -6.482 -7.028 8.025 252 HD2 HIS 34 HD2 HIS 34 -2.604 -6.022 6.923 253 HE1 HIS 34 HE1 HIS 34 -6.103 -4.715 8.935 254 HE2 HIS 34 HE2 HIS 34 -3.714 -4.172 8.348 255 H VAL 35 HN VAL 35 -3.570 -10.055 3.900 256 HA VAL 35 HA VAL 35 -1.533 -8.206 3.005 257 HB VAL 35 HB VAL 35 -0.889 -10.463 3.751 258 HG11 VAL 35 HG11 VAL 35 -3.058 -11.450 2.670 259 HG12 VAL 35 HG12 VAL 35 -1.595 -12.427 2.782 260 HG13 VAL 35 HG13 VAL 35 -2.021 -11.648 1.258 261 HG21 VAL 35 HG21 VAL 35 -0.326 -9.590 0.950 262 HG22 VAL 35 HG22 VAL 35 0.353 -11.100 1.554 263 HG23 VAL 35 HG23 VAL 35 0.729 -9.579 2.363 264 H ALA 36 HN ALA 36 -4.134 -10.148 1.649 265 HA ALA 36 HA ALA 36 -3.579 -9.416 -1.073 266 HB1 ALA 36 HB1 ALA 36 -4.685 -11.389 -1.137 267 HB2 ALA 36 HB2 ALA 36 -6.098 -10.335 -1.201 268 HB3 ALA 36 HB3 ALA 36 -5.600 -11.049 0.333 269 H SER 37 HN SER 37 -6.051 -8.529 1.317 270 HA SER 37 HA SER 37 -7.243 -6.549 -0.369 271 HB2 SER 37 HB2 SER 37 -8.330 -7.823 1.601 272 HB3 SER 37 HB1 SER 37 -7.528 -6.635 2.628 273 HG SER 37 HG SER 37 -8.628 -5.003 1.451 274 H GLY 38 HN GLY 38 -4.351 -6.649 1.271 275 HA2 GLY 38 HA2 GLY 38 -4.236 -3.704 1.391 276 HA3 GLY 38 HA1 GLY 38 -3.500 -4.709 2.630 277 H CYS 39 HN CYS 39 -3.337 -5.951 -0.542 278 HA CYS 39 HA CYS 39 -0.477 -5.436 -0.601 279 HB2 CYS 39 HB2 CYS 39 -2.139 -7.588 -1.545 280 HB3 CYS 39 HB1 CYS 39 -1.165 -6.954 -2.866 281 H ARG 40 HN ARG 40 -3.210 -5.241 -2.900 282 HA ARG 40 HA ARG 40 -1.941 -2.845 -3.992 283 HB2 ARG 40 HB2 ARG 40 -2.792 -3.799 -6.288 284 HB3 ARG 40 HB1 ARG 40 -1.184 -4.107 -5.659 285 HG2 ARG 40 HG2 ARG 40 -3.126 -6.074 -4.756 286 HG3 ARG 40 HG1 ARG 40 -2.993 -6.004 -6.514 287 HD2 ARG 40 HD2 ARG 40 -0.408 -5.927 -5.172 288 HD3 ARG 40 HD1 ARG 40 -1.326 -7.388 -4.810 289 HE ARG 40 HE ARG 40 -1.234 -6.728 -7.610 290 HH11 ARG 40 HH11 ARG 40 0.383 -8.386 -4.999 291 HH12 ARG 40 HH12 ARG 40 1.227 -9.475 -6.048 292 HH21 ARG 40 HH21 ARG 40 -0.126 -8.160 -8.989 293 HH22 ARG 40 HH22 ARG 40 0.938 -9.348 -8.313 294 H VAL 41 HN VAL 41 -4.598 -3.623 -2.485 295 HA VAL 41 HA VAL 41 -6.080 -1.655 -4.015 296 HB VAL 41 HB VAL 41 -7.469 -4.209 -3.230 297 HG11 VAL 41 HG11 VAL 41 -8.491 -2.248 -5.230 298 HG12 VAL 41 HG12 VAL 41 -8.653 -1.891 -3.511 299 HG13 VAL 41 HG13 VAL 41 -9.378 -3.353 -4.180 300 HG21 VAL 41 HG21 VAL 41 -6.264 -3.384 -5.855 301 HG22 VAL 41 HG22 VAL 41 -7.565 -4.571 -5.750 302 HG23 VAL 41 HG23 VAL 41 -6.021 -4.881 -4.955 303 H ASN 42 HN ASN 42 -7.306 -0.300 -2.731 304 HA ASN 42 HA ASN 42 -7.819 0.808 -0.780 305 HB2 ASN 42 HB2 ASN 42 -8.635 -1.512 0.779 306 HB3 ASN 42 HB1 ASN 42 -9.593 -0.146 0.222 307 HD21 ASN 42 HD21 ASN 42 -8.938 -3.431 -0.136 308 HD22 ASN 42 HD22 ASN 42 -9.896 -3.726 -1.543 309 H CYS 43 HN CYS 43 -5.443 -1.054 -1.171 310 HA CYS 43 HA CYS 43 -4.373 -1.651 1.391 311 HB2 CYS 43 HB2 CYS 43 -2.661 -2.671 0.108 312 HB3 CYS 43 HB1 CYS 43 -4.152 -2.991 -0.759 313 H PHE 44 HN PHE 44 -3.866 0.587 -1.227 314 HA PHE 44 HA PHE 44 -1.449 1.358 -0.873 315 HB2 PHE 44 HB2 PHE 44 -3.229 2.339 -2.427 316 HB3 PHE 44 HB1 PHE 44 -3.365 3.601 -1.200 317 HD1 PHE 44 HD1 PHE 44 -2.128 5.490 -1.637 318 HD2 PHE 44 HD2 PHE 44 -0.616 1.707 -2.860 319 HE1 PHE 44 HE1 PHE 44 -0.108 6.579 -2.521 320 HE2 PHE 44 HE2 PHE 44 1.404 2.792 -3.755 321 HZ PHE 44 HZ PHE 44 1.650 5.233 -3.586 322 H GLU 45 HN GLU 45 -3.890 3.414 0.733 323 HA GLU 45 HA GLU 45 -1.839 4.366 2.536 324 HB2 GLU 45 HB2 GLU 45 -4.710 5.072 2.068 325 HB3 GLU 45 HB1 GLU 45 -3.854 5.681 3.478 326 HG2 GLU 45 HG2 GLU 45 -2.278 6.834 2.123 327 HG3 GLU 45 HG1 GLU 45 -2.877 6.052 0.661 328 H ASN 46 HN ASN 46 -5.071 3.022 3.104 329 HA ASN 46 HA ASN 46 -4.948 2.748 5.802 330 HB2 ASN 46 HB2 ASN 46 -6.618 1.799 3.724 331 HB3 ASN 46 HB1 ASN 46 -6.293 0.439 4.795 332 HD21 ASN 46 HD21 ASN 46 -6.030 1.818 7.203 333 HD22 ASN 46 HD22 ASN 46 -7.572 2.463 7.639 334 H HIS 47 HN HIS 47 -4.220 0.003 3.604 335 HA HIS 47 HA HIS 47 -2.950 -1.294 5.885 336 HB2 HIS 47 HB2 HIS 47 -3.882 -2.323 3.229 337 HB3 HIS 47 HB1 HIS 47 -2.982 -3.306 4.377 338 HD1 HIS 47 HD1 HIS 47 -6.239 -3.055 3.346 339 HD2 HIS 47 HD2 HIS 47 -4.510 -2.801 7.116 340 HE1 HIS 47 HE1 HIS 47 -8.087 -3.576 4.970 341 HE2 HIS 47 HE2 HIS 47 -6.997 -3.499 7.240 342 H VAL 48 HN VAL 48 -2.108 -1.313 2.403 343 HA VAL 48 HA VAL 48 0.430 -2.263 2.910 344 HB VAL 48 HB VAL 48 -0.888 -2.192 0.660 345 HG11 VAL 48 HG11 VAL 48 -0.419 0.466 0.787 346 HG12 VAL 48 HG12 VAL 48 -0.677 -0.419 -0.714 347 HG13 VAL 48 HG13 VAL 48 0.961 -0.055 -0.175 348 HG21 VAL 48 HG21 VAL 48 1.674 -2.009 -0.366 349 HG22 VAL 48 HG22 VAL 48 0.906 -3.457 0.284 350 HG23 VAL 48 HG23 VAL 48 1.930 -2.462 1.319 351 H PHE 49 HN PHE 49 -0.603 0.884 3.482 352 HA PHE 49 HA PHE 49 2.190 1.754 3.410 353 HB2 PHE 49 HB2 PHE 49 -0.343 3.295 3.101 354 HB3 PHE 49 HB1 PHE 49 1.086 4.098 3.741 355 HD1 PHE 49 HD1 PHE 49 2.122 1.532 1.569 356 HD2 PHE 49 HD2 PHE 49 0.512 5.473 1.563 357 HE1 PHE 49 HE1 PHE 49 2.977 1.863 -0.702 358 HE2 PHE 49 HE2 PHE 49 1.369 5.803 -0.717 359 HZ PHE 49 HZ PHE 49 2.606 4.004 -1.847 360 H ASP 50 HN ASP 50 -0.457 0.993 5.405 361 HA ASP 50 HA ASP 50 0.591 2.331 7.734 362 HB2 ASP 50 HB2 ASP 50 -1.861 1.974 7.298 363 HB3 ASP 50 HB1 ASP 50 -1.569 0.247 7.506 364 H ASP 51 HN ASP 51 0.249 -0.857 6.298 365 HA ASP 51 HA ASP 51 1.548 -2.065 8.537 366 HB2 ASP 51 HB2 ASP 51 -0.402 -3.040 7.179 367 HB3 ASP 51 HB1 ASP 51 0.837 -3.521 6.025 368 H CYS 52 HN CYS 52 2.211 -1.801 5.100 369 HA CYS 52 HA CYS 52 4.755 -3.097 5.382 370 HB2 CYS 52 HB2 CYS 52 3.377 -1.787 3.066 371 HB3 CYS 52 HB1 CYS 52 5.009 -2.419 2.938 372 H VAL 53 HN VAL 53 3.896 0.269 4.524 373 HA VAL 53 HA VAL 53 6.695 0.967 4.675 374 HB VAL 53 HB VAL 53 4.891 3.275 4.600 375 HG11 VAL 53 HG11 VAL 53 6.809 3.993 3.739 376 HG12 VAL 53 HG12 VAL 53 6.384 3.129 2.263 377 HG13 VAL 53 HG13 VAL 53 7.393 2.352 3.478 378 HG21 VAL 53 HG21 VAL 53 3.630 1.323 3.390 379 HG22 VAL 53 HG22 VAL 53 4.815 1.609 2.118 380 HG23 VAL 53 HG23 VAL 53 3.745 2.910 2.637 381 H TYR 54 HN TYR 54 3.793 1.616 6.601 382 HA TYR 54 HA TYR 54 5.023 3.370 8.355 383 HB2 TYR 54 HB2 TYR 54 2.464 2.429 8.051 384 HB3 TYR 54 HB1 TYR 54 2.934 1.797 9.626 385 HD1 TYR 54 HD1 TYR 54 1.910 4.711 7.775 386 HD2 TYR 54 HD2 TYR 54 3.725 3.404 11.395 387 HE1 TYR 54 HE1 TYR 54 1.443 6.900 8.793 388 HE2 TYR 54 HE2 TYR 54 3.262 5.589 12.423 389 HH TYR 54 HH TYR 54 1.829 7.481 12.166 390 H GLU 55 HN GLU 55 5.390 -0.010 8.168 391 HA GLU 55 HA GLU 55 6.720 0.089 10.794 392 HB2 GLU 55 HB2 GLU 55 4.707 -1.737 9.788 393 HB3 GLU 55 HB1 GLU 55 6.153 -2.595 10.302 394 HG2 GLU 55 HG2 GLU 55 5.188 -2.540 12.315 395 HG3 GLU 55 HG1 GLU 55 5.818 -0.894 12.374 396 H LEU 56 HN LEU 56 6.942 -0.868 7.446 397 HA LEU 56 HA LEU 56 9.516 -2.171 8.032 398 HB2 LEU 56 HB2 LEU 56 8.303 -2.171 5.305 399 HB3 LEU 56 HB1 LEU 56 9.408 -3.319 6.026 400 HG LEU 56 HG LEU 56 6.445 -3.077 6.425 401 HD11 LEU 56 HD11 LEU 56 7.104 -4.512 4.638 402 HD12 LEU 56 HD12 LEU 56 6.606 -5.532 5.987 403 HD13 LEU 56 HD13 LEU 56 8.320 -5.299 5.644 404 HD21 LEU 56 HD21 LEU 56 6.973 -3.318 8.647 405 HD22 LEU 56 HD22 LEU 56 8.480 -4.170 8.309 406 HD23 LEU 56 HD23 LEU 56 6.936 -5.006 8.136 407 H LEU 57 HN LEU 57 8.367 -0.109 5.358 408 HA LEU 57 HA LEU 57 11.077 0.744 4.880 409 HB2 LEU 57 HB2 LEU 57 8.677 0.536 3.365 410 HB3 LEU 57 HB1 LEU 57 9.288 2.172 3.227 411 HG LEU 57 HG LEU 57 11.571 0.842 2.780 412 HD11 LEU 57 HD11 LEU 57 9.795 -0.921 1.225 413 HD12 LEU 57 HD12 LEU 57 9.917 -1.271 2.950 414 HD13 LEU 57 HD13 LEU 57 11.370 -1.243 1.951 415 HD21 LEU 57 HD21 LEU 57 9.918 2.432 1.343 416 HD22 LEU 57 HD22 LEU 57 9.845 0.941 0.403 417 HD23 LEU 57 HD23 LEU 57 11.401 1.713 0.713 418 H LEU 58 HN LEU 58 8.060 2.643 5.258 419 HA LEU 58 HA LEU 58 9.690 4.685 6.617 420 HB2 LEU 58 HB2 LEU 58 7.532 5.506 4.719 421 HB3 LEU 58 HB1 LEU 58 8.905 6.424 5.296 422 HG LEU 58 HG LEU 58 9.177 4.079 3.429 423 HD11 LEU 58 HD11 LEU 58 7.832 6.231 2.678 424 HD12 LEU 58 HD12 LEU 58 8.964 5.414 1.601 425 HD13 LEU 58 HD13 LEU 58 9.462 6.868 2.466 426 HD21 LEU 58 HD21 LEU 58 11.104 5.029 4.908 427 HD22 LEU 58 HD22 LEU 58 11.109 6.334 3.723 428 HD23 LEU 58 HD23 LEU 58 11.391 4.672 3.205 429 H HIS 59 HN HIS 59 8.874 4.243 8.607 430 HA HIS 59 HA HIS 59 6.183 3.886 9.264 431 HB2 HIS 59 HB2 HIS 59 6.862 4.168 11.552 432 HB3 HIS 59 HB1 HIS 59 8.113 3.269 10.699 433 HD1 HIS 59 HD1 HIS 59 7.575 6.248 12.744 434 HD2 HIS 59 HD2 HIS 59 10.442 4.899 10.055 435 HE1 HIS 59 HE1 HIS 59 9.597 7.690 13.137 436 HE2 HIS 59 HE2 HIS 59 11.335 6.827 11.530 437 H ASN 60 HN ASN 60 7.898 6.727 8.433 438 HA ASN 60 HA ASN 60 5.587 8.344 9.200 439 HB2 ASN 60 HB2 ASN 60 8.400 8.690 10.004 440 HB3 ASN 60 HB1 ASN 60 7.623 10.149 9.396 441 HD21 ASN 60 HD21 ASN 60 5.943 11.064 10.539 442 HD22 ASN 60 HD22 ASN 60 5.564 10.608 12.162 443 HA PRO 61 HA PRO 61 7.931 10.330 5.441 444 HB2 PRO 61 HB2 PRO 61 9.365 7.993 4.353 445 HB3 PRO 61 HB1 PRO 61 9.897 9.668 4.514 446 HG2 PRO 61 HG2 PRO 61 10.837 7.759 6.129 447 HG3 PRO 61 HG1 PRO 61 10.523 9.401 6.723 448 HD2 PRO 61 HD2 PRO 61 8.889 6.918 7.054 449 HD3 PRO 61 HD1 PRO 61 9.231 8.204 8.229 450 H GLU 62 HN GLU 62 5.431 9.275 5.530 451 HA GLU 62 HA GLU 62 4.987 7.636 3.198 452 HB2 GLU 62 HB2 GLU 62 3.626 7.705 5.456 453 HB3 GLU 62 HB1 GLU 62 2.791 9.040 4.675 454 HG2 GLU 62 HG2 GLU 62 2.671 7.225 2.707 455 HG3 GLU 62 HG1 GLU 62 2.703 6.151 4.104 456 H GLU 63 HN GLU 63 5.816 10.727 3.642 457 HA GLU 63 HA GLU 63 4.180 12.498 2.432 458 HB2 GLU 63 HB2 GLU 63 7.067 12.131 2.637 459 HB3 GLU 63 HB1 GLU 63 6.584 13.106 1.261 460 HG2 GLU 63 HG2 GLU 63 5.076 14.105 3.361 461 HG3 GLU 63 HG1 GLU 63 6.655 13.779 4.074 462 H VAL 64 HN VAL 64 6.816 11.295 0.396 463 HA VAL 64 HA VAL 64 5.450 11.742 -2.008 464 HB VAL 64 HB VAL 64 7.162 10.138 -2.999 465 HG11 VAL 64 HG11 VAL 64 8.171 12.494 -1.404 466 HG12 VAL 64 HG12 VAL 64 7.414 12.578 -2.995 467 HG13 VAL 64 HG13 VAL 64 8.966 11.764 -2.798 468 HG21 VAL 64 HG21 VAL 64 8.922 9.324 -1.685 469 HG22 VAL 64 HG22 VAL 64 7.479 8.994 -0.727 470 HG23 VAL 64 HG23 VAL 64 8.509 10.367 -0.324 471 H LEU 65 HN LEU 65 4.849 9.433 0.308 472 HA LEU 65 HA LEU 65 4.031 7.352 -1.552 473 HB2 LEU 65 HB2 LEU 65 4.097 7.640 1.429 474 HB3 LEU 65 HB1 LEU 65 3.041 6.444 0.716 475 HG LEU 65 HG LEU 65 6.032 6.578 0.341 476 HD11 LEU 65 HD11 LEU 65 4.821 4.269 1.678 477 HD12 LEU 65 HD12 LEU 65 4.724 5.779 2.583 478 HD13 LEU 65 HD13 LEU 65 6.291 5.164 2.059 479 HD21 LEU 65 HD21 LEU 65 4.139 5.421 -1.314 480 HD22 LEU 65 HD22 LEU 65 4.698 4.085 -0.309 481 HD23 LEU 65 HD23 LEU 65 5.856 5.025 -1.248 482 H LEU 66 HN LEU 66 2.881 10.097 0.105 483 HA LEU 66 HA LEU 66 0.123 9.502 -0.105 484 HB2 LEU 66 HB2 LEU 66 1.615 11.341 1.312 485 HB3 LEU 66 HB1 LEU 66 0.810 12.329 0.109 486 HG LEU 66 HG LEU 66 -0.651 10.433 1.943 487 HD11 LEU 66 HD11 LEU 66 -0.446 13.416 2.254 488 HD12 LEU 66 HD12 LEU 66 0.587 12.285 3.128 489 HD13 LEU 66 HD13 LEU 66 -1.160 12.249 3.367 490 HD21 LEU 66 HD21 LEU 66 -1.415 12.321 -0.200 491 HD22 LEU 66 HD22 LEU 66 -2.435 12.296 1.238 492 HD23 LEU 66 HD23 LEU 66 -2.176 10.816 0.314 493 H MET 67 HN MET 67 2.552 11.209 -1.940 494 HA MET 67 HA MET 67 0.808 12.409 -3.836 495 HB2 MET 67 HB2 MET 67 3.685 12.127 -3.443 496 HB3 MET 67 HB1 MET 67 3.237 11.987 -5.138 497 HG2 MET 67 HG2 MET 67 3.609 14.239 -4.929 498 HG3 MET 67 HG1 MET 67 1.866 14.139 -4.690 499 HE1 MET 67 HE1 MET 67 0.823 13.882 -2.174 500 HE2 MET 67 HE2 MET 67 0.771 15.491 -2.894 501 HE3 MET 67 HE3 MET 67 1.232 15.296 -1.203 502 H ARG 68 HN ARG 68 2.705 9.411 -3.748 503 HA ARG 68 HA ARG 68 2.096 8.437 -6.272 504 HB2 ARG 68 HB2 ARG 68 2.553 6.995 -3.663 505 HB3 ARG 68 HB1 ARG 68 2.341 6.144 -5.187 506 HG2 ARG 68 HG2 ARG 68 4.327 7.071 -6.086 507 HG3 ARG 68 HG1 ARG 68 4.468 8.222 -4.756 508 HD2 ARG 68 HD2 ARG 68 4.405 5.839 -3.430 509 HD3 ARG 68 HD1 ARG 68 5.262 5.404 -4.907 510 HE ARG 68 HE ARG 68 6.209 7.099 -2.777 511 HH11 ARG 68 HH11 ARG 68 6.577 6.215 -6.134 512 HH12 ARG 68 HH12 ARG 68 8.213 6.774 -6.231 513 HH21 ARG 68 HH21 ARG 68 8.359 7.839 -2.906 514 HH22 ARG 68 HH22 ARG 68 9.224 7.698 -4.400 515 H ASP 69 HN ASP 69 0.221 8.496 -3.339 516 HA ASP 69 HA ASP 69 -1.876 6.774 -4.078 517 HB2 ASP 69 HB2 ASP 69 -1.476 7.619 -1.754 518 HB3 ASP 69 HB1 ASP 69 -2.051 9.198 -2.272 519 H ALA 70 HN ALA 70 -1.002 9.901 -5.121 520 HA ALA 70 HA ALA 70 -3.525 10.906 -5.904 521 HB1 ALA 70 HB1 ALA 70 -2.358 12.547 -7.113 522 HB2 ALA 70 HB2 ALA 70 -0.964 11.496 -7.365 523 HB3 ALA 70 HB3 ALA 70 -1.289 12.162 -5.765 524 H ILE 71 HN ILE 71 -1.183 8.749 -7.317 525 HA ILE 71 HA ILE 71 -2.842 8.409 -9.708 526 HB ILE 71 HB ILE 71 -0.190 7.090 -9.216 527 HG12 ILE 71 HG12 ILE 71 -0.729 9.827 -10.382 528 HG13 ILE 71 HG11 ILE 71 0.233 9.453 -8.956 529 HG21 ILE 71 HG21 ILE 71 -0.959 7.894 -11.919 530 HG22 ILE 71 HG22 ILE 71 -2.049 6.723 -11.175 531 HG23 ILE 71 HG23 ILE 71 -0.330 6.357 -11.325 532 HD11 ILE 71 HD11 ILE 71 0.911 9.184 -11.831 533 HD12 ILE 71 HD12 ILE 71 1.634 8.053 -10.687 534 HD13 ILE 71 HD13 ILE 71 1.881 9.788 -10.488 535 H ARG 72 HN ARG 72 -1.228 6.485 -7.150 536 HA ARG 72 HA ARG 72 -2.418 4.030 -7.807 537 HB2 ARG 72 HB2 ARG 72 -0.964 5.174 -5.502 538 HB3 ARG 72 HB1 ARG 72 -2.065 3.868 -5.088 539 HG2 ARG 72 HG2 ARG 72 -0.215 3.455 -7.367 540 HG3 ARG 72 HG1 ARG 72 0.458 3.419 -5.742 541 HD2 ARG 72 HD2 ARG 72 -1.936 1.846 -5.888 542 HD3 ARG 72 HD1 ARG 72 -0.822 1.362 -7.145 543 HE ARG 72 HE ARG 72 0.517 1.547 -4.672 544 HH11 ARG 72 HH11 ARG 72 -1.686 -0.472 -6.455 545 HH12 ARG 72 HH12 ARG 72 -1.309 -1.900 -5.555 546 HH21 ARG 72 HH21 ARG 72 0.979 -0.325 -3.442 547 HH22 ARG 72 HH22 ARG 72 0.200 -1.817 -3.846 548 H GLY 73 HN GLY 73 -3.323 6.494 -5.395 549 HA2 GLY 73 HA2 GLY 73 -5.968 5.220 -5.177 550 HA3 GLY 73 HA1 GLY 73 -5.273 6.324 -3.999 Start of MODEL 2 1 H1 GLN 1 HN GLN 1 -16.938 8.272 -2.735 2 HA GLN 1 HA GLN 1 -19.228 8.799 -1.077 3 HB2 GLN 1 HB2 GLN 1 -19.618 9.468 -3.664 4 HB3 GLN 1 HB1 GLN 1 -20.043 7.763 -3.729 5 HG2 GLN 1 HG2 GLN 1 -21.936 8.049 -2.548 6 HG3 GLN 1 HG1 GLN 1 -21.233 9.292 -1.515 7 HE21 GLN 1 HE21 GLN 1 -23.452 10.171 -1.938 8 HE22 GLN 1 HE22 GLN 1 -23.640 11.209 -3.306 9 H ILE 2 HN ILE 2 -17.766 6.594 -3.443 10 HA ILE 2 HA ILE 2 -18.239 4.391 -1.560 11 HB ILE 2 HB ILE 2 -19.966 4.289 -3.329 12 HG12 ILE 2 HG12 ILE 2 -18.235 1.975 -3.982 13 HG13 ILE 2 HG11 ILE 2 -18.543 2.252 -2.270 14 HG21 ILE 2 HG21 ILE 2 -18.055 5.162 -5.025 15 HG22 ILE 2 HG22 ILE 2 -19.546 4.371 -5.538 16 HG23 ILE 2 HG23 ILE 2 -18.056 3.438 -5.397 17 HD11 ILE 2 HD11 ILE 2 -20.299 1.223 -4.348 18 HD12 ILE 2 HD12 ILE 2 -21.038 2.485 -3.363 19 HD13 ILE 2 HD13 ILE 2 -20.379 1.040 -2.596 20 H PHE 3 HN PHE 3 -15.872 5.927 -2.018 21 HA PHE 3 HA PHE 3 -14.132 4.158 -3.558 22 HB2 PHE 3 HB2 PHE 3 -14.075 6.960 -2.762 23 HB3 PHE 3 HB1 PHE 3 -12.543 6.152 -2.449 24 HD1 PHE 3 HD1 PHE 3 -11.058 5.659 -4.194 25 HD2 PHE 3 HD2 PHE 3 -15.035 6.885 -5.085 26 HE1 PHE 3 HE1 PHE 3 -10.453 5.886 -6.568 27 HE2 PHE 3 HE2 PHE 3 -14.437 7.113 -7.460 28 HZ PHE 3 HZ PHE 3 -12.143 6.614 -8.205 29 H ASP 4 HN ASP 4 -13.343 2.449 -2.534 30 HA ASP 4 HA ASP 4 -12.376 2.793 0.223 31 HB2 ASP 4 HB2 ASP 4 -13.105 0.472 0.707 32 HB3 ASP 4 HB1 ASP 4 -14.455 1.539 0.331 33 H SER 5 HN SER 5 -10.618 3.201 -1.715 34 HA SER 5 HA SER 5 -8.701 1.126 -1.329 35 HB2 SER 5 HB2 SER 5 -9.542 1.558 -4.198 36 HB3 SER 5 HB1 SER 5 -8.426 0.347 -3.568 37 HG SER 5 HG SER 5 -11.229 0.438 -3.427 38 H SER 6 HN SER 6 -6.811 2.148 -1.129 39 HA SER 6 HA SER 6 -6.501 4.752 -2.442 40 HB2 SER 6 HB2 SER 6 -5.408 3.580 0.072 41 HB3 SER 6 HB1 SER 6 -4.413 4.754 -0.789 42 HG SER 6 HG SER 6 -6.323 6.139 -0.734 43 H CYS 7 HN CYS 7 -5.819 1.745 -3.227 44 HA CYS 7 HA CYS 7 -3.372 2.704 -4.535 45 HB2 CYS 7 HB2 CYS 7 -3.363 -0.039 -4.910 46 HB3 CYS 7 HB1 CYS 7 -2.406 0.839 -3.729 47 H LYS 8 HN LYS 8 -3.440 2.802 -6.690 48 HA LYS 8 HA LYS 8 -5.774 1.625 -8.055 49 HB2 LYS 8 HB2 LYS 8 -6.208 3.986 -7.867 50 HB3 LYS 8 HB1 LYS 8 -4.593 4.381 -8.439 51 HG2 LYS 8 HG2 LYS 8 -5.159 4.138 -10.600 52 HG3 LYS 8 HG1 LYS 8 -6.210 2.757 -10.280 53 HD2 LYS 8 HD2 LYS 8 -8.027 4.050 -10.268 54 HD3 LYS 8 HD1 LYS 8 -7.290 5.178 -9.128 55 HE2 LYS 8 HE2 LYS 8 -6.561 5.190 -12.039 56 HE3 LYS 8 HE1 LYS 8 -7.976 6.058 -11.444 57 HZ1 LYS 8 HZ1 LYS 8 -6.707 7.585 -10.380 58 HZ2 LYS 8 HZ2 LYS 8 -5.604 7.176 -11.596 59 HZ3 LYS 8 HZ3 LYS 8 -5.448 6.504 -10.051 60 H GLY 9 HN GLY 9 -5.457 0.844 -10.100 61 HA2 GLY 9 HA2 GLY 9 -3.182 -0.461 -10.753 62 HA3 GLY 9 HA1 GLY 9 -4.322 0.106 -11.957 63 H VAL 10 HN VAL 10 -3.640 2.969 -11.101 64 HA VAL 10 HA VAL 10 -1.686 3.316 -13.064 65 HB VAL 10 HB VAL 10 -2.616 5.414 -11.150 66 HG11 VAL 10 HG11 VAL 10 -1.602 5.740 -13.968 67 HG12 VAL 10 HG12 VAL 10 -0.584 5.900 -12.537 68 HG13 VAL 10 HG13 VAL 10 -1.934 7.007 -12.786 69 HG21 VAL 10 HG21 VAL 10 -3.851 5.474 -13.769 70 HG22 VAL 10 HG22 VAL 10 -4.594 5.521 -12.171 71 HG23 VAL 10 HG23 VAL 10 -4.200 3.971 -12.915 72 H TYR 11 HN TYR 11 -1.451 4.159 -9.657 73 HA TYR 11 HA TYR 11 1.424 4.330 -10.003 74 HB2 TYR 11 HB2 TYR 11 -0.442 5.339 -8.003 75 HB3 TYR 11 HB1 TYR 11 0.956 4.541 -7.283 76 HD1 TYR 11 HD1 TYR 11 0.771 6.491 -10.441 77 HD2 TYR 11 HD2 TYR 11 2.274 6.293 -6.469 78 HE1 TYR 11 HE1 TYR 11 2.155 8.475 -10.874 79 HE2 TYR 11 HE2 TYR 11 3.661 8.281 -6.888 80 HH TYR 11 HH TYR 11 3.787 10.163 -8.362 81 H ASP 12 HN ASP 12 -1.055 2.278 -9.287 82 HA ASP 12 HA ASP 12 0.256 0.335 -7.641 83 HB2 ASP 12 HB2 ASP 12 -2.146 0.409 -7.822 84 HB3 ASP 12 HB1 ASP 12 -2.024 0.254 -9.565 85 H ARG 13 HN ARG 13 0.332 1.307 -10.895 86 HA ARG 13 HA ARG 13 1.156 -1.132 -12.012 87 HB2 ARG 13 HB2 ARG 13 0.434 1.412 -12.988 88 HB3 ARG 13 HB1 ARG 13 2.066 1.101 -13.564 89 HG2 ARG 13 HG2 ARG 13 0.359 -1.210 -13.897 90 HG3 ARG 13 HG1 ARG 13 -0.299 0.216 -14.701 91 HD2 ARG 13 HD2 ARG 13 2.568 -0.095 -15.107 92 HD3 ARG 13 HD1 ARG 13 1.640 -1.471 -15.702 93 HE ARG 13 HE ARG 13 0.527 1.028 -16.524 94 HH11 ARG 13 HH11 ARG 13 3.011 -1.316 -17.243 95 HH12 ARG 13 HH12 ARG 13 3.108 -0.884 -18.917 96 HH21 ARG 13 HH21 ARG 13 0.652 1.595 -18.725 97 HH22 ARG 13 HH22 ARG 13 1.770 0.768 -19.759 98 H ALA 14 HN ALA 14 2.636 1.798 -10.923 99 HA ALA 14 HA ALA 14 5.354 0.864 -11.382 100 HB1 ALA 14 HB1 ALA 14 5.630 3.083 -11.480 101 HB2 ALA 14 HB2 ALA 14 5.516 3.078 -9.720 102 HB3 ALA 14 HB3 ALA 14 4.080 3.386 -10.696 103 H ILE 15 HN ILE 15 3.049 1.147 -8.828 104 HA ILE 15 HA ILE 15 4.724 0.557 -6.663 105 HB ILE 15 HB ILE 15 1.762 0.566 -7.100 106 HG12 ILE 15 HG12 ILE 15 1.796 2.628 -6.212 107 HG13 ILE 15 HG11 ILE 15 2.761 2.099 -4.844 108 HG21 ILE 15 HG21 ILE 15 3.128 -0.958 -5.099 109 HG22 ILE 15 HG22 ILE 15 1.413 -0.877 -5.469 110 HG23 ILE 15 HG23 ILE 15 2.131 0.288 -4.356 111 HD11 ILE 15 HD11 ILE 15 4.792 2.425 -6.120 112 HD12 ILE 15 HD12 ILE 15 3.823 3.896 -6.120 113 HD13 ILE 15 HD13 ILE 15 3.852 2.859 -7.546 114 H PHE 16 HN PHE 16 2.575 -1.329 -8.747 115 HA PHE 16 HA PHE 16 2.542 -3.773 -7.572 116 HB2 PHE 16 HB2 PHE 16 1.705 -2.964 -9.953 117 HB3 PHE 16 HB1 PHE 16 3.188 -3.743 -10.480 118 HD1 PHE 16 HD1 PHE 16 3.175 -6.001 -10.935 119 HD2 PHE 16 HD2 PHE 16 0.162 -4.377 -8.406 120 HE1 PHE 16 HE1 PHE 16 2.043 -8.184 -10.889 121 HE2 PHE 16 HE2 PHE 16 -0.976 -6.557 -8.355 122 HZ PHE 16 HZ PHE 16 -0.035 -8.465 -9.597 123 H ASN 17 HN ASN 17 5.063 -2.606 -9.757 124 HA ASN 17 HA ASN 17 6.733 -4.876 -9.148 125 HB2 ASN 17 HB2 ASN 17 6.479 -3.222 -11.330 126 HB3 ASN 17 HB1 ASN 17 7.995 -2.684 -10.613 127 HD21 ASN 17 HD21 ASN 17 9.098 -3.490 -12.431 128 HD22 ASN 17 HD22 ASN 17 9.403 -5.180 -12.617 129 H GLU 18 HN GLU 18 6.451 -1.595 -7.956 130 HA GLU 18 HA GLU 18 9.120 -1.663 -6.877 131 HB2 GLU 18 HB2 GLU 18 6.999 0.458 -7.057 132 HB3 GLU 18 HB1 GLU 18 8.419 0.654 -6.042 133 HG2 GLU 18 HG2 GLU 18 9.564 -0.075 -8.383 134 HG3 GLU 18 HG1 GLU 18 8.146 0.800 -8.957 135 H LEU 19 HN LEU 19 5.873 -0.887 -5.678 136 HA LEU 19 HA LEU 19 6.801 -1.457 -3.069 137 HB2 LEU 19 HB2 LEU 19 4.072 -0.582 -3.829 138 HB3 LEU 19 HB1 LEU 19 4.876 -0.353 -2.291 139 HG LEU 19 HG LEU 19 5.421 1.050 -4.901 140 HD11 LEU 19 HD11 LEU 19 5.135 2.592 -2.436 141 HD12 LEU 19 HD12 LEU 19 3.698 1.661 -2.857 142 HD13 LEU 19 HD13 LEU 19 4.371 2.814 -4.010 143 HD21 LEU 19 HD21 LEU 19 7.556 1.265 -4.323 144 HD22 LEU 19 HD22 LEU 19 7.283 0.410 -2.805 145 HD23 LEU 19 HD23 LEU 19 7.040 2.155 -2.890 146 H GLU 20 HN GLU 20 4.166 -2.544 -5.128 147 HA GLU 20 HA GLU 20 2.988 -4.233 -3.477 148 HB2 GLU 20 HB2 GLU 20 2.303 -3.799 -5.825 149 HB3 GLU 20 HB1 GLU 20 3.487 -4.995 -6.328 150 HG2 GLU 20 HG2 GLU 20 1.391 -5.714 -4.335 151 HG3 GLU 20 HG1 GLU 20 1.009 -5.675 -6.056 152 H HIS 21 HN HIS 21 6.092 -4.753 -4.960 153 HA HIS 21 HA HIS 21 6.315 -7.522 -4.369 154 HB2 HIS 21 HB2 HIS 21 8.335 -5.350 -4.862 155 HB3 HIS 21 HB1 HIS 21 8.840 -6.950 -4.323 156 HD1 HIS 21 HD1 HIS 21 5.966 -6.810 -6.656 157 HD2 HIS 21 HD2 HIS 21 10.087 -7.300 -6.864 158 HE1 HIS 21 HE1 HIS 21 6.425 -7.664 -8.976 159 HE2 HIS 21 HE2 HIS 21 8.916 -8.031 -9.051 160 H VAL 22 HN VAL 22 7.198 -4.544 -2.676 161 HA VAL 22 HA VAL 22 8.413 -5.627 -0.424 162 HB VAL 22 HB VAL 22 6.508 -3.281 -0.342 163 HG11 VAL 22 HG11 VAL 22 9.032 -3.443 1.220 164 HG12 VAL 22 HG12 VAL 22 7.663 -4.425 1.742 165 HG13 VAL 22 HG13 VAL 22 7.498 -2.673 1.625 166 HG21 VAL 22 HG21 VAL 22 8.715 -3.518 -2.019 167 HG22 VAL 22 HG22 VAL 22 9.300 -2.582 -0.644 168 HG23 VAL 22 HG23 VAL 22 7.896 -2.027 -1.554 169 H CYS 23 HN CYS 23 4.991 -5.131 -1.167 170 HA CYS 23 HA CYS 23 3.861 -5.989 1.240 171 HB2 CYS 23 HB2 CYS 23 2.567 -4.974 -0.602 172 HB3 CYS 23 HB1 CYS 23 2.816 -6.427 -1.559 173 H ASN 24 HN ASN 24 4.850 -7.810 -1.639 174 HA ASN 24 HA ASN 24 4.073 -10.361 -0.852 175 HB2 ASN 24 HB2 ASN 24 5.142 -9.639 -3.074 176 HB3 ASN 24 HB1 ASN 24 6.691 -9.779 -2.248 177 HD21 ASN 24 HD21 ASN 24 4.331 -11.388 -3.993 178 HD22 ASN 24 HD22 ASN 24 4.874 -13.007 -3.730 179 H ASP 25 HN ASP 25 6.909 -8.429 -0.083 180 HA ASP 25 HA ASP 25 8.168 -10.413 1.551 181 HB2 ASP 25 HB2 ASP 25 8.575 -7.425 1.735 182 HB3 ASP 25 HB1 ASP 25 9.710 -8.697 2.177 183 H CYS 26 HN CYS 26 6.092 -7.589 2.200 184 HA CYS 26 HA CYS 26 6.128 -7.793 5.011 185 HB2 CYS 26 HB2 CYS 26 3.843 -6.708 3.362 186 HB3 CYS 26 HB1 CYS 26 4.309 -6.244 4.995 187 H TYR 27 HN TYR 27 4.456 -9.595 2.587 188 HA TYR 27 HA TYR 27 2.202 -10.480 3.953 189 HB2 TYR 27 HB2 TYR 27 2.665 -10.905 1.552 190 HB3 TYR 27 HB1 TYR 27 3.896 -12.074 2.018 191 HD1 TYR 27 HD1 TYR 27 0.370 -11.423 3.094 192 HD2 TYR 27 HD2 TYR 27 3.208 -14.234 1.630 193 HE1 TYR 27 HE1 TYR 27 -1.343 -13.184 3.174 194 HE2 TYR 27 HE2 TYR 27 1.502 -16.003 1.705 195 HH TYR 27 HH TYR 27 -1.089 -16.068 1.612 196 H ASN 28 HN ASN 28 5.545 -11.401 4.298 197 HA ASN 28 HA ASN 28 5.248 -13.862 5.590 198 HB2 ASN 28 HB2 ASN 28 7.389 -12.742 4.733 199 HB3 ASN 28 HB1 ASN 28 7.411 -11.876 6.266 200 HD21 ASN 28 HD21 ASN 28 7.884 -14.895 4.675 201 HD22 ASN 28 HD22 ASN 28 8.525 -15.754 6.030 202 H LEU 29 HN LEU 29 4.572 -10.675 6.688 203 HA LEU 29 HA LEU 29 4.853 -11.156 9.482 204 HB2 LEU 29 HB2 LEU 29 3.561 -9.027 7.822 205 HB3 LEU 29 HB1 LEU 29 3.256 -9.089 9.547 206 HG LEU 29 HG LEU 29 5.041 -7.507 9.006 207 HD11 LEU 29 HD11 LEU 29 6.154 -9.924 10.416 208 HD12 LEU 29 HD12 LEU 29 5.044 -8.767 11.149 209 HD13 LEU 29 HD13 LEU 29 6.644 -8.243 10.625 210 HD21 LEU 29 HD21 LEU 29 6.903 -7.994 7.791 211 HD22 LEU 29 HD22 LEU 29 5.776 -9.116 7.030 212 HD23 LEU 29 HD23 LEU 29 6.901 -9.694 8.258 213 H TYR 30 HN TYR 30 1.857 -10.504 7.648 214 HA TYR 30 HA TYR 30 0.397 -12.112 9.609 215 HB2 TYR 30 HB2 TYR 30 -0.638 -10.239 7.473 216 HB3 TYR 30 HB1 TYR 30 -1.626 -11.072 8.667 217 HD1 TYR 30 HD1 TYR 30 1.360 -8.820 8.551 218 HD2 TYR 30 HD2 TYR 30 -2.247 -9.884 10.540 219 HE1 TYR 30 HE1 TYR 30 1.674 -6.945 10.110 220 HE2 TYR 30 HE2 TYR 30 -1.943 -8.011 12.105 221 HH TYR 30 HH TYR 30 0.396 -5.554 11.599 222 H ARG 31 HN ARG 31 -1.492 -13.378 8.707 223 HA ARG 31 HA ARG 31 -0.694 -14.766 6.235 224 HB2 ARG 31 HB2 ARG 31 -0.213 -16.133 8.213 225 HB3 ARG 31 HB1 ARG 31 -1.888 -15.990 8.726 226 HG2 ARG 31 HG2 ARG 31 -2.659 -17.351 6.994 227 HG3 ARG 31 HG1 ARG 31 -1.168 -17.170 6.068 228 HD2 ARG 31 HD2 ARG 31 -0.361 -19.012 7.007 229 HD3 ARG 31 HD1 ARG 31 -0.495 -18.265 8.598 230 HE ARG 31 HE ARG 31 -2.248 -20.233 7.451 231 HH11 ARG 31 HH11 ARG 31 -1.974 -17.667 9.801 232 HH12 ARG 31 HH12 ARG 31 -3.261 -18.268 10.791 233 HH21 ARG 31 HH21 ARG 31 -3.941 -21.024 8.753 234 HH22 ARG 31 HH22 ARG 31 -4.377 -20.173 10.197 235 H THR 32 HN THR 32 -3.194 -13.176 7.943 236 HA THR 32 HA THR 32 -5.374 -14.424 6.535 237 HB THR 32 HB THR 32 -6.673 -12.488 7.623 238 HG1 THR 32 HG1 THR 32 -5.081 -11.055 8.088 239 HG21 THR 32 HG21 THR 32 -6.743 -14.665 8.631 240 HG22 THR 32 HG22 THR 32 -6.540 -13.443 9.887 241 HG23 THR 32 HG23 THR 32 -5.161 -14.413 9.369 242 H SER 33 HN SER 33 -7.038 -12.459 5.785 243 HA SER 33 HA SER 33 -5.890 -11.589 3.318 244 HB2 SER 33 HB2 SER 33 -8.376 -12.282 3.962 245 HB3 SER 33 HB1 SER 33 -8.530 -10.545 4.223 246 HG SER 33 HG SER 33 -7.448 -11.642 1.850 247 H HIS 34 HN HIS 34 -5.474 -10.302 6.286 248 HA HIS 34 HA HIS 34 -6.081 -7.592 6.012 249 HB2 HIS 34 HB2 HIS 34 -3.984 -9.053 7.603 250 HB3 HIS 34 HB1 HIS 34 -4.120 -7.299 7.656 251 HD1 HIS 34 HD1 HIS 34 -4.767 -7.414 10.170 252 HD2 HIS 34 HD2 HIS 34 -7.424 -9.338 7.621 253 HE1 HIS 34 HE1 HIS 34 -6.827 -7.845 11.547 254 HE2 HIS 34 HE2 HIS 34 -8.383 -9.095 10.010 255 H VAL 35 HN VAL 35 -3.219 -9.413 5.062 256 HA VAL 35 HA VAL 35 -1.932 -7.064 3.978 257 HB VAL 35 HB VAL 35 -1.081 -9.961 3.794 258 HG11 VAL 35 HG11 VAL 35 0.991 -9.222 3.007 259 HG12 VAL 35 HG12 VAL 35 0.687 -7.555 3.496 260 HG13 VAL 35 HG13 VAL 35 -0.174 -8.241 2.118 261 HG21 VAL 35 HG21 VAL 35 -1.293 -8.798 6.115 262 HG22 VAL 35 HG22 VAL 35 0.173 -7.953 5.616 263 HG23 VAL 35 HG23 VAL 35 0.163 -9.713 5.722 264 H ALA 36 HN ALA 36 -3.692 -9.895 2.895 265 HA ALA 36 HA ALA 36 -3.141 -9.565 0.115 266 HB1 ALA 36 HB1 ALA 36 -5.580 -10.906 0.317 267 HB2 ALA 36 HB2 ALA 36 -4.683 -11.364 1.764 268 HB3 ALA 36 HB3 ALA 36 -3.978 -11.629 0.170 269 H SER 37 HN SER 37 -6.151 -8.998 1.951 270 HA SER 37 HA SER 37 -7.374 -7.497 -0.123 271 HB2 SER 37 HB2 SER 37 -8.525 -8.671 1.846 272 HB3 SER 37 HB1 SER 37 -8.056 -7.271 2.810 273 HG SER 37 HG SER 37 -10.215 -7.313 1.673 274 H GLY 38 HN GLY 38 -4.808 -6.793 1.863 275 HA2 GLY 38 HA2 GLY 38 -5.202 -3.898 1.524 276 HA3 GLY 38 HA1 GLY 38 -4.460 -4.582 2.967 277 H CYS 39 HN CYS 39 -3.820 -6.094 -0.033 278 HA CYS 39 HA CYS 39 -1.029 -5.322 0.084 279 HB2 CYS 39 HB2 CYS 39 -1.921 -7.734 -0.340 280 HB3 CYS 39 HB1 CYS 39 -2.188 -7.170 -1.981 281 H ARG 40 HN ARG 40 -3.637 -5.406 -2.357 282 HA ARG 40 HA ARG 40 -2.298 -3.131 -3.652 283 HB2 ARG 40 HB2 ARG 40 -3.456 -4.236 -5.786 284 HB3 ARG 40 HB1 ARG 40 -1.784 -4.475 -5.309 285 HG2 ARG 40 HG2 ARG 40 -3.627 -6.359 -4.051 286 HG3 ARG 40 HG1 ARG 40 -3.605 -6.460 -5.811 287 HD2 ARG 40 HD2 ARG 40 -0.955 -6.294 -5.280 288 HD3 ARG 40 HD1 ARG 40 -1.524 -7.148 -3.846 289 HE ARG 40 HE ARG 40 -1.349 -8.177 -6.512 290 HH11 ARG 40 HH11 ARG 40 -3.059 -8.448 -3.482 291 HH12 ARG 40 HH12 ARG 40 -3.536 -10.090 -3.755 292 HH21 ARG 40 HH21 ARG 40 -1.975 -10.336 -6.873 293 HH22 ARG 40 HH22 ARG 40 -2.920 -11.163 -5.679 294 H VAL 41 HN VAL 41 -4.892 -3.656 -1.958 295 HA VAL 41 HA VAL 41 -6.324 -1.561 -3.341 296 HB VAL 41 HB VAL 41 -7.880 -4.003 -2.502 297 HG11 VAL 41 HG11 VAL 41 -9.739 -2.909 -3.159 298 HG12 VAL 41 HG12 VAL 41 -8.924 -2.111 -4.505 299 HG13 VAL 41 HG13 VAL 41 -8.750 -1.478 -2.868 300 HG21 VAL 41 HG21 VAL 41 -7.025 -3.257 -5.298 301 HG22 VAL 41 HG22 VAL 41 -8.084 -4.597 -4.855 302 HG23 VAL 41 HG23 VAL 41 -6.392 -4.607 -4.355 303 H ASN 42 HN ASN 42 -7.315 -0.169 -1.854 304 HA ASN 42 HA ASN 42 -7.465 0.838 0.214 305 HB2 ASN 42 HB2 ASN 42 -8.609 -0.638 1.995 306 HB3 ASN 42 HB1 ASN 42 -9.523 -0.291 0.534 307 HD21 ASN 42 HD21 ASN 42 -9.579 -1.940 -1.118 308 HD22 ASN 42 HD22 ASN 42 -9.478 -3.602 -0.660 309 H CYS 43 HN CYS 43 -5.346 -1.012 -0.678 310 HA CYS 43 HA CYS 43 -3.985 -2.063 1.588 311 HB2 CYS 43 HB2 CYS 43 -2.541 -2.971 -0.055 312 HB3 CYS 43 HB1 CYS 43 -4.131 -3.026 -0.783 313 H PHE 44 HN PHE 44 -3.638 0.450 -0.793 314 HA PHE 44 HA PHE 44 -1.171 1.044 -0.566 315 HB2 PHE 44 HB2 PHE 44 -3.028 2.298 -1.854 316 HB3 PHE 44 HB1 PHE 44 -2.910 3.445 -0.520 317 HD1 PHE 44 HD1 PHE 44 0.036 1.578 -1.598 318 HD2 PHE 44 HD2 PHE 44 -2.134 5.213 -2.021 319 HE1 PHE 44 HE1 PHE 44 1.989 2.603 -2.664 320 HE2 PHE 44 HE2 PHE 44 -0.173 6.240 -3.089 321 HZ PHE 44 HZ PHE 44 1.887 4.943 -3.409 322 H GLU 45 HN GLU 45 -3.326 3.076 1.409 323 HA GLU 45 HA GLU 45 -1.106 3.743 3.128 324 HB2 GLU 45 HB2 GLU 45 -3.997 4.587 3.145 325 HB3 GLU 45 HB1 GLU 45 -2.797 5.177 4.286 326 HG2 GLU 45 HG2 GLU 45 -1.575 5.643 1.894 327 HG3 GLU 45 HG1 GLU 45 -3.272 5.916 1.502 328 H ASN 46 HN ASN 46 -4.358 2.489 3.777 329 HA ASN 46 HA ASN 46 -4.247 2.019 6.403 330 HB2 ASN 46 HB2 ASN 46 -5.588 0.612 4.171 331 HB3 ASN 46 HB1 ASN 46 -5.596 -0.191 5.738 332 HD21 ASN 46 HD21 ASN 46 -6.261 2.933 4.215 333 HD22 ASN 46 HD22 ASN 46 -7.583 3.350 5.246 334 H HIS 47 HN HIS 47 -3.386 -0.693 4.174 335 HA HIS 47 HA HIS 47 -1.811 -1.730 6.435 336 HB2 HIS 47 HB2 HIS 47 -3.468 -3.090 4.363 337 HB3 HIS 47 HB1 HIS 47 -2.155 -3.962 5.146 338 HD1 HIS 47 HD1 HIS 47 -3.343 -5.491 6.710 339 HD2 HIS 47 HD2 HIS 47 -4.784 -1.599 6.925 340 HE1 HIS 47 HE1 HIS 47 -4.980 -5.485 8.619 341 HE2 HIS 47 HE2 HIS 47 -5.781 -3.102 8.780 342 H VAL 48 HN VAL 48 -1.690 -1.598 2.839 343 HA VAL 48 HA VAL 48 0.824 -2.870 2.862 344 HB VAL 48 HB VAL 48 -0.919 -2.551 0.863 345 HG11 VAL 48 HG11 VAL 48 -0.047 -0.029 0.873 346 HG12 VAL 48 HG12 VAL 48 -0.517 -0.855 -0.607 347 HG13 VAL 48 HG13 VAL 48 1.185 -0.727 -0.173 348 HG21 VAL 48 HG21 VAL 48 0.615 -4.166 0.459 349 HG22 VAL 48 HG22 VAL 48 1.978 -3.161 0.953 350 HG23 VAL 48 HG23 VAL 48 1.251 -2.941 -0.639 351 H PHE 49 HN PHE 49 0.073 0.188 3.822 352 HA PHE 49 HA PHE 49 2.865 0.975 3.399 353 HB2 PHE 49 HB2 PHE 49 0.406 2.601 3.133 354 HB3 PHE 49 HB1 PHE 49 1.770 3.368 3.933 355 HD1 PHE 49 HD1 PHE 49 1.636 0.965 1.093 356 HD2 PHE 49 HD2 PHE 49 2.720 4.844 2.447 357 HE1 PHE 49 HE1 PHE 49 2.689 1.421 -1.080 358 HE2 PHE 49 HE2 PHE 49 3.770 5.313 0.271 359 HZ PHE 49 HZ PHE 49 3.756 3.602 -1.493 360 H ASP 50 HN ASP 50 0.349 0.293 5.595 361 HA ASP 50 HA ASP 50 1.590 1.618 7.829 362 HB2 ASP 50 HB2 ASP 50 -0.879 1.291 7.676 363 HB3 ASP 50 HB1 ASP 50 -0.606 -0.449 7.734 364 H ASP 51 HN ASP 51 1.261 -1.501 6.276 365 HA ASP 51 HA ASP 51 2.738 -2.785 8.368 366 HB2 ASP 51 HB2 ASP 51 0.783 -3.710 6.812 367 HB3 ASP 51 HB1 ASP 51 2.164 -4.233 5.852 368 H CYS 52 HN CYS 52 3.214 -1.911 5.015 369 HA CYS 52 HA CYS 52 5.844 -3.100 4.960 370 HB2 CYS 52 HB2 CYS 52 4.308 -1.498 2.937 371 HB3 CYS 52 HB1 CYS 52 5.940 -2.085 2.655 372 H VAL 53 HN VAL 53 4.834 0.257 4.241 373 HA VAL 53 HA VAL 53 7.514 1.144 4.668 374 HB VAL 53 HB VAL 53 5.925 3.455 4.829 375 HG11 VAL 53 HG11 VAL 53 7.555 2.116 2.708 376 HG12 VAL 53 HG12 VAL 53 7.893 3.580 3.629 377 HG13 VAL 53 HG13 VAL 53 6.681 3.605 2.349 378 HG21 VAL 53 HG21 VAL 53 4.729 1.422 2.963 379 HG22 VAL 53 HG22 VAL 53 4.594 3.153 2.678 380 HG23 VAL 53 HG23 VAL 53 3.924 2.450 4.146 381 H TYR 54 HN TYR 54 4.494 1.635 6.501 382 HA TYR 54 HA TYR 54 5.679 3.108 8.510 383 HB2 TYR 54 HB2 TYR 54 3.165 2.679 8.017 384 HB3 TYR 54 HB1 TYR 54 3.362 1.341 9.139 385 HD1 TYR 54 HD1 TYR 54 4.314 1.895 11.469 386 HD2 TYR 54 HD2 TYR 54 2.722 4.818 8.823 387 HE1 TYR 54 HE1 TYR 54 3.996 3.426 13.365 388 HE2 TYR 54 HE2 TYR 54 2.399 6.361 10.711 389 HH TYR 54 HH TYR 54 3.749 5.782 13.808 390 H GLU 55 HN GLU 55 5.964 -0.230 7.941 391 HA GLU 55 HA GLU 55 7.086 -0.521 10.649 392 HB2 GLU 55 HB2 GLU 55 5.053 -1.976 9.720 393 HB3 GLU 55 HB1 GLU 55 6.374 -2.933 9.066 394 HG2 GLU 55 HG2 GLU 55 7.053 -2.398 11.731 395 HG3 GLU 55 HG1 GLU 55 5.345 -2.835 11.736 396 H LEU 56 HN LEU 56 7.606 -1.043 7.216 397 HA LEU 56 HA LEU 56 10.250 -2.180 7.842 398 HB2 LEU 56 HB2 LEU 56 9.171 -2.022 5.062 399 HB3 LEU 56 HB1 LEU 56 10.349 -3.130 5.730 400 HG LEU 56 HG LEU 56 7.365 -3.174 6.137 401 HD11 LEU 56 HD11 LEU 56 8.050 -4.152 4.060 402 HD12 LEU 56 HD12 LEU 56 7.631 -5.452 5.176 403 HD13 LEU 56 HD13 LEU 56 9.324 -5.072 4.861 404 HD21 LEU 56 HD21 LEU 56 7.616 -4.951 7.681 405 HD22 LEU 56 HD22 LEU 56 8.683 -3.661 8.237 406 HD23 LEU 56 HD23 LEU 56 9.352 -5.055 7.388 407 H LEU 57 HN LEU 57 9.073 -0.012 5.270 408 HA LEU 57 HA LEU 57 11.718 1.106 5.006 409 HB2 LEU 57 HB2 LEU 57 9.533 0.680 3.312 410 HB3 LEU 57 HB1 LEU 57 9.750 2.418 3.378 411 HG LEU 57 HG LEU 57 12.294 1.726 2.957 412 HD11 LEU 57 HD11 LEU 57 11.273 -0.736 2.888 413 HD12 LEU 57 HD12 LEU 57 12.654 -0.247 1.905 414 HD13 LEU 57 HD13 LEU 57 11.039 -0.293 1.197 415 HD21 LEU 57 HD21 LEU 57 10.018 2.340 1.175 416 HD22 LEU 57 HD22 LEU 57 11.491 1.752 0.403 417 HD23 LEU 57 HD23 LEU 57 11.541 3.197 1.412 418 H LEU 58 HN LEU 58 8.537 2.696 5.251 419 HA LEU 58 HA LEU 58 9.900 4.909 6.642 420 HB2 LEU 58 HB2 LEU 58 7.524 5.132 4.803 421 HB3 LEU 58 HB1 LEU 58 8.408 6.452 5.539 422 HG LEU 58 HG LEU 58 9.621 4.529 3.558 423 HD11 LEU 58 HD11 LEU 58 7.666 6.278 2.922 424 HD12 LEU 58 HD12 LEU 58 8.966 5.803 1.829 425 HD13 LEU 58 HD13 LEU 58 9.090 7.303 2.747 426 HD21 LEU 58 HD21 LEU 58 10.911 6.090 5.325 427 HD22 LEU 58 HD22 LEU 58 10.710 7.233 3.997 428 HD23 LEU 58 HD23 LEU 58 11.540 5.701 3.724 429 H HIS 59 HN HIS 59 9.391 4.350 8.705 430 HA HIS 59 HA HIS 59 6.826 3.552 9.570 431 HB2 HIS 59 HB2 HIS 59 7.686 3.835 11.808 432 HB3 HIS 59 HB1 HIS 59 8.926 3.095 10.799 433 HD1 HIS 59 HD1 HIS 59 8.000 6.630 11.900 434 HD2 HIS 59 HD2 HIS 59 11.332 4.264 11.145 435 HE1 HIS 59 HE1 HIS 59 9.986 8.067 12.462 436 HE2 HIS 59 HE2 HIS 59 11.992 6.640 11.927 437 H ASN 60 HN ASN 60 8.145 6.593 8.743 438 HA ASN 60 HA ASN 60 5.757 7.942 9.742 439 HB2 ASN 60 HB2 ASN 60 8.574 8.544 10.363 440 HB3 ASN 60 HB1 ASN 60 7.608 9.935 9.879 441 HD21 ASN 60 HD21 ASN 60 5.556 10.240 11.038 442 HD22 ASN 60 HD22 ASN 60 5.498 9.837 12.717 443 HA PRO 61 HA PRO 61 7.639 10.253 5.890 444 HB2 PRO 61 HB2 PRO 61 9.004 7.964 4.601 445 HB3 PRO 61 HB1 PRO 61 9.478 9.663 4.672 446 HG2 PRO 61 HG2 PRO 61 10.722 7.854 6.172 447 HG3 PRO 61 HG1 PRO 61 10.356 9.468 6.812 448 HD2 PRO 61 HD2 PRO 61 8.955 6.871 7.300 449 HD3 PRO 61 HD1 PRO 61 9.339 8.173 8.446 450 H GLU 62 HN GLU 62 5.223 9.366 6.172 451 HA GLU 62 HA GLU 62 4.431 7.613 4.040 452 HB2 GLU 62 HB2 GLU 62 3.080 9.007 6.293 453 HB3 GLU 62 HB1 GLU 62 2.103 8.684 4.867 454 HG2 GLU 62 HG2 GLU 62 1.794 6.612 5.552 455 HG3 GLU 62 HG1 GLU 62 3.531 6.324 5.457 456 H GLU 63 HN GLU 63 5.476 10.699 4.282 457 HA GLU 63 HA GLU 63 3.860 12.417 2.903 458 HB2 GLU 63 HB2 GLU 63 6.463 12.389 3.682 459 HB3 GLU 63 HB1 GLU 63 6.616 12.333 1.934 460 HG2 GLU 63 HG2 GLU 63 4.884 14.321 2.070 461 HG3 GLU 63 HG1 GLU 63 5.577 14.499 3.681 462 H VAL 64 HN VAL 64 6.372 10.412 1.381 463 HA VAL 64 HA VAL 64 5.602 10.857 -1.268 464 HB VAL 64 HB VAL 64 6.764 8.637 -1.730 465 HG11 VAL 64 HG11 VAL 64 8.903 9.601 -1.553 466 HG12 VAL 64 HG12 VAL 64 8.448 10.555 -0.142 467 HG13 VAL 64 HG13 VAL 64 7.796 10.963 -1.729 468 HG21 VAL 64 HG21 VAL 64 6.299 8.094 0.867 469 HG22 VAL 64 HG22 VAL 64 7.944 8.719 0.972 470 HG23 VAL 64 HG23 VAL 64 7.590 7.343 -0.072 471 H LEU 65 HN LEU 65 3.930 9.324 1.152 472 HA LEU 65 HA LEU 65 2.593 7.413 -0.635 473 HB2 LEU 65 HB2 LEU 65 2.950 6.508 1.540 474 HB3 LEU 65 HB1 LEU 65 2.374 7.956 2.323 475 HG LEU 65 HG LEU 65 0.091 7.486 1.543 476 HD11 LEU 65 HD11 LEU 65 1.374 5.766 -0.248 477 HD12 LEU 65 HD12 LEU 65 -0.360 6.012 -0.047 478 HD13 LEU 65 HD13 LEU 65 0.456 4.725 0.840 479 HD21 LEU 65 HD21 LEU 65 0.452 4.946 2.786 480 HD22 LEU 65 HD22 LEU 65 -0.175 6.442 3.479 481 HD23 LEU 65 HD23 LEU 65 1.555 6.105 3.528 482 H LEU 66 HN LEU 66 2.242 10.446 0.971 483 HA LEU 66 HA LEU 66 -0.499 10.812 0.552 484 HB2 LEU 66 HB2 LEU 66 1.347 12.159 1.954 485 HB3 LEU 66 HB1 LEU 66 1.270 13.186 0.535 486 HG LEU 66 HG LEU 66 -1.220 12.416 2.028 487 HD11 LEU 66 HD11 LEU 66 -1.003 14.132 3.540 488 HD12 LEU 66 HD12 LEU 66 0.173 14.999 2.552 489 HD13 LEU 66 HD13 LEU 66 0.660 13.555 3.439 490 HD21 LEU 66 HD21 LEU 66 -0.877 15.034 0.719 491 HD22 LEU 66 HD22 LEU 66 -2.264 13.945 0.741 492 HD23 LEU 66 HD23 LEU 66 -0.917 13.634 -0.353 493 H MET 67 HN MET 67 2.352 11.416 -1.369 494 HA MET 67 HA MET 67 0.948 12.813 -3.460 495 HB2 MET 67 HB2 MET 67 3.663 12.385 -2.729 496 HB3 MET 67 HB1 MET 67 3.457 11.768 -4.362 497 HG2 MET 67 HG2 MET 67 3.194 13.810 -5.241 498 HG3 MET 67 HG1 MET 67 2.235 14.387 -3.879 499 HE1 MET 67 HE1 MET 67 3.406 15.952 -1.837 500 HE2 MET 67 HE2 MET 67 2.937 16.499 -3.447 501 HE3 MET 67 HE3 MET 67 4.479 17.008 -2.757 502 H ARG 68 HN ARG 68 2.611 9.651 -3.248 503 HA ARG 68 HA ARG 68 1.850 8.618 -5.696 504 HB2 ARG 68 HB2 ARG 68 2.172 7.193 -3.050 505 HB3 ARG 68 HB1 ARG 68 2.020 6.372 -4.596 506 HG2 ARG 68 HG2 ARG 68 4.099 7.120 -5.336 507 HG3 ARG 68 HG1 ARG 68 4.171 8.400 -4.123 508 HD2 ARG 68 HD2 ARG 68 4.181 6.510 -2.399 509 HD3 ARG 68 HD1 ARG 68 4.538 5.441 -3.755 510 HE ARG 68 HE ARG 68 6.368 7.516 -3.875 511 HH11 ARG 68 HH11 ARG 68 5.526 4.963 -1.650 512 HH12 ARG 68 HH12 ARG 68 7.130 4.817 -1.015 513 HH21 ARG 68 HH21 ARG 68 8.478 7.325 -3.041 514 HH22 ARG 68 HH22 ARG 68 8.806 6.158 -1.804 515 H ASP 69 HN ASP 69 0.136 8.468 -2.615 516 HA ASP 69 HA ASP 69 -2.087 7.000 -3.355 517 HB2 ASP 69 HB2 ASP 69 -1.592 7.635 -1.029 518 HB3 ASP 69 HB1 ASP 69 -1.979 9.312 -1.404 519 H ALA 70 HN ALA 70 -1.168 10.153 -4.317 520 HA ALA 70 HA ALA 70 -3.721 11.235 -4.907 521 HB1 ALA 70 HB1 ALA 70 -1.278 11.908 -6.508 522 HB2 ALA 70 HB2 ALA 70 -1.409 12.417 -4.825 523 HB3 ALA 70 HB3 ALA 70 -2.605 12.955 -6.004 524 H ILE 71 HN ILE 71 -1.505 9.101 -6.520 525 HA ILE 71 HA ILE 71 -3.246 8.927 -8.871 526 HB ILE 71 HB ILE 71 -0.542 7.661 -8.438 527 HG12 ILE 71 HG12 ILE 71 -0.107 9.557 -10.314 528 HG13 ILE 71 HG11 ILE 71 -1.351 10.357 -9.358 529 HG21 ILE 71 HG21 ILE 71 -1.208 6.443 -10.195 530 HG22 ILE 71 HG22 ILE 71 -0.920 7.909 -11.132 531 HG23 ILE 71 HG23 ILE 71 -2.546 7.532 -10.561 532 HD11 ILE 71 HD11 ILE 71 0.066 10.795 -7.703 533 HD12 ILE 71 HD12 ILE 71 1.339 10.383 -8.852 534 HD13 ILE 71 HD13 ILE 71 0.738 9.165 -7.728 535 H ARG 72 HN ARG 72 -1.541 6.819 -6.530 536 HA ARG 72 HA ARG 72 -2.817 4.433 -7.223 537 HB2 ARG 72 HB2 ARG 72 -1.218 5.481 -4.978 538 HB3 ARG 72 HB1 ARG 72 -2.321 4.194 -4.520 539 HG2 ARG 72 HG2 ARG 72 -1.146 3.221 -6.814 540 HG3 ARG 72 HG1 ARG 72 0.160 4.086 -6.005 541 HD2 ARG 72 HD2 ARG 72 0.430 2.382 -4.626 542 HD3 ARG 72 HD1 ARG 72 -1.205 2.630 -4.021 543 HE ARG 72 HE ARG 72 -1.535 1.174 -6.297 544 HH11 ARG 72 HH11 ARG 72 0.317 0.756 -3.370 545 HH12 ARG 72 HH12 ARG 72 0.190 -0.968 -3.382 546 HH21 ARG 72 HH21 ARG 72 -1.728 -1.103 -6.286 547 HH22 ARG 72 HH22 ARG 72 -0.959 -2.022 -5.039 548 H GLY 73 HN GLY 73 -3.544 6.788 -4.644 549 HA2 GLY 73 HA2 GLY 73 -6.159 5.519 -4.242 550 HA3 GLY 73 HA1 GLY 73 -5.394 6.664 -3.151 Start of MODEL 3 1 H1 GLN 1 HN GLN 1 -19.319 6.661 3.658 2 HA GLN 1 HA GLN 1 -16.969 5.581 4.936 3 HB2 GLN 1 HB2 GLN 1 -19.257 4.034 5.054 4 HB3 GLN 1 HB1 GLN 1 -18.425 3.401 3.640 5 HG2 GLN 1 HG2 GLN 1 -17.091 2.232 4.950 6 HG3 GLN 1 HG1 GLN 1 -16.495 3.723 5.677 7 HE21 GLN 1 HE21 GLN 1 -17.415 4.455 7.607 8 HE22 GLN 1 HE22 GLN 1 -18.324 3.407 8.636 9 H ILE 2 HN ILE 2 -18.898 4.550 2.125 10 HA ILE 2 HA ILE 2 -18.370 4.354 -0.082 11 HB ILE 2 HB ILE 2 -16.703 6.830 0.353 12 HG12 ILE 2 HG12 ILE 2 -19.172 7.623 -0.640 13 HG13 ILE 2 HG11 ILE 2 -19.585 6.412 0.570 14 HG21 ILE 2 HG21 ILE 2 -17.850 5.445 -2.021 15 HG22 ILE 2 HG22 ILE 2 -16.271 6.202 -1.808 16 HG23 ILE 2 HG23 ILE 2 -17.704 7.203 -2.045 17 HD11 ILE 2 HD11 ILE 2 -18.218 7.659 2.211 18 HD12 ILE 2 HD12 ILE 2 -19.585 8.579 1.584 19 HD13 ILE 2 HD13 ILE 2 -17.957 8.905 0.991 20 H PHE 3 HN PHE 3 -17.083 2.423 0.615 21 HA PHE 3 HA PHE 3 -14.314 2.479 0.989 22 HB2 PHE 3 HB2 PHE 3 -14.351 0.102 0.332 23 HB3 PHE 3 HB1 PHE 3 -15.643 0.488 1.463 24 HD1 PHE 3 HD1 PHE 3 -17.970 0.618 0.686 25 HD2 PHE 3 HD2 PHE 3 -14.816 -0.621 -1.887 26 HE1 PHE 3 HE1 PHE 3 -19.620 -0.333 -0.871 27 HE2 PHE 3 HE2 PHE 3 -16.460 -1.574 -3.450 28 HZ PHE 3 HZ PHE 3 -18.865 -1.430 -2.943 29 H ASP 4 HN ASP 4 -12.596 2.583 -0.352 30 HA ASP 4 HA ASP 4 -13.079 2.525 -3.247 31 HB2 ASP 4 HB2 ASP 4 -12.842 4.885 -1.978 32 HB3 ASP 4 HB1 ASP 4 -11.138 4.541 -2.254 33 H SER 5 HN SER 5 -10.254 3.454 -3.633 34 HA SER 5 HA SER 5 -8.625 1.374 -2.472 35 HB2 SER 5 HB2 SER 5 -9.022 1.483 -5.473 36 HB3 SER 5 HB1 SER 5 -7.964 0.378 -4.596 37 HG SER 5 HG SER 5 -10.708 0.318 -4.939 38 H SER 6 HN SER 6 -6.989 2.631 -1.785 39 HA SER 6 HA SER 6 -6.195 4.980 -3.227 40 HB2 SER 6 HB2 SER 6 -5.181 3.663 -0.717 41 HB3 SER 6 HB1 SER 6 -4.350 5.041 -1.438 42 HG SER 6 HG SER 6 -6.410 6.155 -1.287 43 H CYS 7 HN CYS 7 -5.561 1.875 -3.898 44 HA CYS 7 HA CYS 7 -2.998 2.751 -5.032 45 HB2 CYS 7 HB2 CYS 7 -3.052 -0.001 -5.365 46 HB3 CYS 7 HB1 CYS 7 -2.158 0.867 -4.127 47 H LYS 8 HN LYS 8 -2.872 2.816 -7.198 48 HA LYS 8 HA LYS 8 -5.088 1.637 -8.742 49 HB2 LYS 8 HB2 LYS 8 -5.501 4.030 -8.564 50 HB3 LYS 8 HB1 LYS 8 -3.877 4.381 -9.135 51 HG2 LYS 8 HG2 LYS 8 -4.622 4.412 -11.215 52 HG3 LYS 8 HG1 LYS 8 -5.117 2.726 -11.065 53 HD2 LYS 8 HD2 LYS 8 -7.081 3.842 -11.666 54 HD3 LYS 8 HD1 LYS 8 -7.218 3.647 -9.917 55 HE2 LYS 8 HE2 LYS 8 -5.892 6.054 -10.205 56 HE3 LYS 8 HE1 LYS 8 -7.065 6.068 -11.521 57 HZ1 LYS 8 HZ1 LYS 8 -7.884 5.347 -8.779 58 HZ2 LYS 8 HZ2 LYS 8 -8.834 5.928 -10.052 59 HZ3 LYS 8 HZ3 LYS 8 -7.771 6.969 -9.248 60 H GLY 9 HN GLY 9 -4.598 0.835 -10.736 61 HA2 GLY 9 HA2 GLY 9 -2.274 -0.467 -11.185 62 HA3 GLY 9 HA1 GLY 9 -3.321 0.071 -12.482 63 H VAL 10 HN VAL 10 -2.703 2.959 -11.633 64 HA VAL 10 HA VAL 10 -0.585 3.231 -13.451 65 HB VAL 10 HB VAL 10 -1.640 5.449 -11.756 66 HG11 VAL 10 HG11 VAL 10 0.426 5.812 -13.136 67 HG12 VAL 10 HG12 VAL 10 -0.917 6.895 -13.503 68 HG13 VAL 10 HG13 VAL 10 -0.566 5.533 -14.568 69 HG21 VAL 10 HG21 VAL 10 -2.876 5.464 -14.303 70 HG22 VAL 10 HG22 VAL 10 -3.631 5.259 -12.723 71 HG23 VAL 10 HG23 VAL 10 -3.078 3.849 -13.626 72 H TYR 11 HN TYR 11 -0.660 4.192 -10.043 73 HA TYR 11 HA TYR 11 2.231 4.436 -10.195 74 HB2 TYR 11 HB2 TYR 11 0.376 5.747 -8.576 75 HB3 TYR 11 HB1 TYR 11 1.180 4.615 -7.496 76 HD1 TYR 11 HD1 TYR 11 3.791 4.542 -7.675 77 HD2 TYR 11 HD2 TYR 11 1.406 7.817 -8.951 78 HE1 TYR 11 HE1 TYR 11 5.748 6.020 -7.522 79 HE2 TYR 11 HE2 TYR 11 3.351 9.306 -8.802 80 HH TYR 11 HH TYR 11 5.979 8.735 -7.145 81 H ASP 12 HN ASP 12 -0.247 2.326 -9.623 82 HA ASP 12 HA ASP 12 0.953 0.423 -7.871 83 HB2 ASP 12 HB2 ASP 12 -1.415 0.380 -8.359 84 HB3 ASP 12 HB1 ASP 12 -1.067 0.225 -10.067 85 H ARG 13 HN ARG 13 1.349 1.418 -11.093 86 HA ARG 13 HA ARG 13 2.448 -0.929 -12.144 87 HB2 ARG 13 HB2 ARG 13 1.610 1.455 -13.212 88 HB3 ARG 13 HB1 ARG 13 3.358 1.572 -13.365 89 HG2 ARG 13 HG2 ARG 13 3.446 0.030 -14.989 90 HG3 ARG 13 HG1 ARG 13 2.226 -0.992 -14.227 91 HD2 ARG 13 HD2 ARG 13 0.529 -0.043 -15.372 92 HD3 ARG 13 HD1 ARG 13 1.245 1.567 -15.302 93 HE ARG 13 HE ARG 13 1.410 -0.258 -17.455 94 HH11 ARG 13 HH11 ARG 13 3.316 2.094 -15.717 95 HH12 ARG 13 HH12 ARG 13 4.328 2.461 -17.074 96 HH21 ARG 13 HH21 ARG 13 2.741 0.222 -19.239 97 HH22 ARG 13 HH22 ARG 13 4.002 1.398 -19.073 98 H ALA 14 HN ALA 14 3.611 2.017 -10.750 99 HA ALA 14 HA ALA 14 6.413 1.272 -10.872 100 HB1 ALA 14 HB1 ALA 14 4.862 3.625 -9.984 101 HB2 ALA 14 HB2 ALA 14 6.377 3.539 -10.882 102 HB3 ALA 14 HB3 ALA 14 6.377 3.332 -9.131 103 H ILE 15 HN ILE 15 3.750 1.042 -8.717 104 HA ILE 15 HA ILE 15 5.163 0.449 -6.352 105 HB ILE 15 HB ILE 15 2.308 0.160 -7.213 106 HG12 ILE 15 HG12 ILE 15 2.035 2.228 -6.410 107 HG13 ILE 15 HG11 ILE 15 2.675 1.743 -4.849 108 HG21 ILE 15 HG21 ILE 15 2.538 -0.149 -4.389 109 HG22 ILE 15 HG22 ILE 15 3.493 -1.381 -5.206 110 HG23 ILE 15 HG23 ILE 15 1.782 -1.211 -5.576 111 HD11 ILE 15 HD11 ILE 15 4.936 2.231 -5.630 112 HD12 ILE 15 HD12 ILE 15 3.882 3.637 -5.752 113 HD13 ILE 15 HD13 ILE 15 4.290 2.713 -7.196 114 H PHE 16 HN PHE 16 3.403 -1.430 -8.774 115 HA PHE 16 HA PHE 16 3.472 -3.948 -7.835 116 HB2 PHE 16 HB2 PHE 16 3.174 -2.796 -10.367 117 HB3 PHE 16 HB1 PHE 16 4.433 -4.007 -10.560 118 HD1 PHE 16 HD1 PHE 16 1.244 -3.824 -8.623 119 HD2 PHE 16 HD2 PHE 16 3.627 -5.959 -11.430 120 HE1 PHE 16 HE1 PHE 16 -0.469 -5.587 -8.731 121 HE2 PHE 16 HE2 PHE 16 1.918 -7.725 -11.543 122 HZ PHE 16 HZ PHE 16 -0.133 -7.540 -10.193 123 H ASN 17 HN ASN 17 6.146 -2.425 -9.574 124 HA ASN 17 HA ASN 17 7.884 -4.639 -8.946 125 HB2 ASN 17 HB2 ASN 17 8.225 -2.091 -10.498 126 HB3 ASN 17 HB1 ASN 17 9.602 -3.117 -10.110 127 HD21 ASN 17 HD21 ASN 17 9.188 -5.501 -10.629 128 HD22 ASN 17 HD22 ASN 17 8.476 -5.819 -12.170 129 H GLU 18 HN GLU 18 7.259 -1.464 -7.582 130 HA GLU 18 HA GLU 18 9.751 -1.510 -6.141 131 HB2 GLU 18 HB2 GLU 18 7.575 0.567 -6.331 132 HB3 GLU 18 HB1 GLU 18 9.035 0.741 -5.368 133 HG2 GLU 18 HG2 GLU 18 9.062 0.266 -8.335 134 HG3 GLU 18 HG1 GLU 18 9.062 1.871 -7.605 135 H LEU 19 HN LEU 19 6.346 -0.905 -5.358 136 HA LEU 19 HA LEU 19 6.944 -1.544 -2.676 137 HB2 LEU 19 HB2 LEU 19 4.317 -0.734 -3.791 138 HB3 LEU 19 HB1 LEU 19 4.858 -0.574 -2.134 139 HG LEU 19 HG LEU 19 5.834 0.969 -4.534 140 HD11 LEU 19 HD11 LEU 19 4.654 2.757 -3.744 141 HD12 LEU 19 HD12 LEU 19 4.758 2.227 -2.065 142 HD13 LEU 19 HD13 LEU 19 3.617 1.454 -3.164 143 HD21 LEU 19 HD21 LEU 19 7.633 0.338 -2.874 144 HD22 LEU 19 HD22 LEU 19 6.760 1.307 -1.687 145 HD23 LEU 19 HD23 LEU 19 7.406 2.066 -3.142 146 H GLU 20 HN GLU 20 4.730 -2.714 -5.136 147 HA GLU 20 HA GLU 20 3.315 -4.445 -3.757 148 HB2 GLU 20 HB2 GLU 20 2.972 -4.148 -6.124 149 HB3 GLU 20 HB1 GLU 20 4.457 -5.017 -6.464 150 HG2 GLU 20 HG2 GLU 20 2.448 -6.451 -4.859 151 HG3 GLU 20 HG1 GLU 20 2.035 -6.141 -6.545 152 H HIS 21 HN HIS 21 6.642 -4.981 -4.750 153 HA HIS 21 HA HIS 21 6.810 -7.685 -3.915 154 HB2 HIS 21 HB2 HIS 21 8.904 -5.529 -4.190 155 HB3 HIS 21 HB1 HIS 21 9.286 -7.165 -3.662 156 HD1 HIS 21 HD1 HIS 21 7.388 -8.638 -5.697 157 HD2 HIS 21 HD2 HIS 21 10.116 -5.656 -6.659 158 HE1 HIS 21 HE1 HIS 21 7.907 -8.965 -8.135 159 HE2 HIS 21 HE2 HIS 21 9.483 -7.088 -8.718 160 H VAL 22 HN VAL 22 7.440 -4.581 -2.343 161 HA VAL 22 HA VAL 22 8.366 -5.457 0.121 162 HB VAL 22 HB VAL 22 6.432 -3.165 -0.280 163 HG11 VAL 22 HG11 VAL 22 8.390 -3.884 1.879 164 HG12 VAL 22 HG12 VAL 22 6.670 -3.523 2.023 165 HG13 VAL 22 HG13 VAL 22 7.814 -2.232 1.655 166 HG21 VAL 22 HG21 VAL 22 9.418 -3.290 -0.654 167 HG22 VAL 22 HG22 VAL 22 8.523 -1.782 -0.464 168 HG23 VAL 22 HG23 VAL 22 8.197 -2.833 -1.842 169 H CYS 23 HN CYS 23 5.056 -5.114 -1.076 170 HA CYS 23 HA CYS 23 3.690 -5.878 1.254 171 HB2 CYS 23 HB2 CYS 23 2.611 -4.897 -0.765 172 HB3 CYS 23 HB1 CYS 23 2.881 -6.418 -1.606 173 H ASN 24 HN ASN 24 4.973 -7.751 -1.470 174 HA ASN 24 HA ASN 24 4.096 -10.285 -0.748 175 HB2 ASN 24 HB2 ASN 24 5.914 -9.225 -2.614 176 HB3 ASN 24 HB1 ASN 24 6.854 -10.365 -1.656 177 HD21 ASN 24 HD21 ASN 24 6.416 -10.800 -4.314 178 HD22 ASN 24 HD22 ASN 24 5.358 -12.150 -4.519 179 H ASP 25 HN ASP 25 6.797 -8.345 0.369 180 HA ASP 25 HA ASP 25 7.837 -10.325 2.162 181 HB2 ASP 25 HB2 ASP 25 8.739 -7.898 1.164 182 HB3 ASP 25 HB1 ASP 25 8.435 -7.550 2.863 183 H CYS 26 HN CYS 26 5.720 -7.480 2.491 184 HA CYS 26 HA CYS 26 5.413 -7.604 5.289 185 HB2 CYS 26 HB2 CYS 26 3.387 -6.568 3.299 186 HB3 CYS 26 HB1 CYS 26 3.552 -6.103 4.989 187 H TYR 27 HN TYR 27 3.886 -9.345 2.685 188 HA TYR 27 HA TYR 27 1.555 -10.240 3.896 189 HB2 TYR 27 HB2 TYR 27 2.126 -10.598 1.516 190 HB3 TYR 27 HB1 TYR 27 3.335 -11.784 1.997 191 HD1 TYR 27 HD1 TYR 27 -0.172 -11.242 3.162 192 HD2 TYR 27 HD2 TYR 27 2.599 -13.854 1.264 193 HE1 TYR 27 HE1 TYR 27 -1.886 -13.004 3.097 194 HE2 TYR 27 HE2 TYR 27 0.892 -15.623 1.194 195 HH TYR 27 HH TYR 27 -1.941 -15.517 2.977 196 H ASN 28 HN ASN 28 4.855 -11.205 4.431 197 HA ASN 28 HA ASN 28 4.461 -13.712 5.601 198 HB2 ASN 28 HB2 ASN 28 6.586 -11.613 5.833 199 HB3 ASN 28 HB1 ASN 28 6.621 -13.003 6.914 200 HD21 ASN 28 HD21 ASN 28 7.673 -11.825 4.028 201 HD22 ASN 28 HD22 ASN 28 8.060 -13.310 3.236 202 H LEU 29 HN LEU 29 3.712 -10.566 6.774 203 HA LEU 29 HA LEU 29 3.786 -11.161 9.559 204 HB2 LEU 29 HB2 LEU 29 2.630 -8.961 7.894 205 HB3 LEU 29 HB1 LEU 29 2.186 -9.092 9.585 206 HG LEU 29 HG LEU 29 5.086 -9.129 8.944 207 HD11 LEU 29 HD11 LEU 29 5.294 -6.989 8.278 208 HD12 LEU 29 HD12 LEU 29 3.915 -6.443 9.232 209 HD13 LEU 29 HD13 LEU 29 3.654 -7.233 7.677 210 HD21 LEU 29 HD21 LEU 29 4.094 -9.334 11.245 211 HD22 LEU 29 HD22 LEU 29 3.550 -7.665 11.079 212 HD23 LEU 29 HD23 LEU 29 5.273 -8.038 11.044 213 H TYR 30 HN TYR 30 0.955 -10.485 7.485 214 HA TYR 30 HA TYR 30 -0.673 -12.106 9.297 215 HB2 TYR 30 HB2 TYR 30 -1.182 -9.839 7.488 216 HB3 TYR 30 HB1 TYR 30 -2.446 -11.064 7.510 217 HD1 TYR 30 HD1 TYR 30 -1.379 -8.096 8.972 218 HD2 TYR 30 HD2 TYR 30 -3.082 -11.856 10.000 219 HE1 TYR 30 HE1 TYR 30 -2.265 -7.120 11.047 220 HE2 TYR 30 HE2 TYR 30 -3.974 -10.891 12.078 221 HH TYR 30 HH TYR 30 -3.971 -7.507 12.684 222 H ARG 31 HN ARG 31 -2.452 -13.404 8.215 223 HA ARG 31 HA ARG 31 -1.380 -14.783 5.841 224 HB2 ARG 31 HB2 ARG 31 -2.515 -16.847 6.838 225 HB3 ARG 31 HB1 ARG 31 -1.025 -16.299 7.593 226 HG2 ARG 31 HG2 ARG 31 -2.153 -15.425 9.450 227 HG3 ARG 31 HG1 ARG 31 -3.715 -15.473 8.629 228 HD2 ARG 31 HD2 ARG 31 -3.734 -17.278 10.143 229 HD3 ARG 31 HD1 ARG 31 -3.443 -17.990 8.557 230 HE ARG 31 HE ARG 31 -0.949 -17.628 9.512 231 HH11 ARG 31 HH11 ARG 31 -3.798 -19.130 10.859 232 HH12 ARG 31 HH12 ARG 31 -2.901 -20.265 11.812 233 HH21 ARG 31 HH21 ARG 31 0.231 -19.120 10.763 234 HH22 ARG 31 HH22 ARG 31 -0.614 -20.259 11.758 235 H THR 32 HN THR 32 -4.085 -13.242 7.269 236 HA THR 32 HA THR 32 -6.065 -14.549 5.637 237 HB THR 32 HB THR 32 -7.655 -13.113 6.690 238 HG1 THR 32 HG1 THR 32 -5.493 -11.593 7.712 239 HG21 THR 32 HG21 THR 32 -6.023 -13.165 9.074 240 HG22 THR 32 HG22 THR 32 -5.974 -14.695 8.199 241 HG23 THR 32 HG23 THR 32 -7.521 -14.018 8.706 242 H SER 33 HN SER 33 -7.693 -12.578 4.769 243 HA SER 33 HA SER 33 -6.326 -11.677 2.416 244 HB2 SER 33 HB2 SER 33 -8.687 -12.499 2.420 245 HB3 SER 33 HB1 SER 33 -9.148 -11.042 3.301 246 HG SER 33 HG SER 33 -8.782 -11.366 0.668 247 H HIS 34 HN HIS 34 -6.387 -10.415 5.460 248 HA HIS 34 HA HIS 34 -6.975 -7.716 5.124 249 HB2 HIS 34 HB2 HIS 34 -5.331 -9.293 7.033 250 HB3 HIS 34 HB1 HIS 34 -5.047 -7.556 6.981 251 HD1 HIS 34 HD1 HIS 34 -8.064 -6.752 6.503 252 HD2 HIS 34 HD2 HIS 34 -6.668 -9.336 9.442 253 HE1 HIS 34 HE1 HIS 34 -9.814 -6.724 8.308 254 HE2 HIS 34 HE2 HIS 34 -8.989 -8.363 10.035 255 H VAL 35 HN VAL 35 -4.039 -9.514 4.449 256 HA VAL 35 HA VAL 35 -2.588 -7.138 3.662 257 HB VAL 35 HB VAL 35 -1.779 -10.034 3.343 258 HG11 VAL 35 HG11 VAL 35 -0.523 -7.467 2.690 259 HG12 VAL 35 HG12 VAL 35 -0.199 -9.083 2.064 260 HG13 VAL 35 HG13 VAL 35 0.507 -8.574 3.597 261 HG21 VAL 35 HG21 VAL 35 -0.261 -9.179 5.370 262 HG22 VAL 35 HG22 VAL 35 -1.825 -9.957 5.607 263 HG23 VAL 35 HG23 VAL 35 -1.698 -8.199 5.661 264 H ALA 36 HN ALA 36 -4.227 -9.886 2.227 265 HA ALA 36 HA ALA 36 -3.401 -9.440 -0.451 266 HB1 ALA 36 HB1 ALA 36 -6.061 -10.640 -0.045 267 HB2 ALA 36 HB2 ALA 36 -4.728 -11.440 0.788 268 HB3 ALA 36 HB3 ALA 36 -4.676 -11.232 -0.962 269 H SER 37 HN SER 37 -6.562 -8.783 1.074 270 HA SER 37 HA SER 37 -7.479 -7.145 -1.050 271 HB2 SER 37 HB2 SER 37 -9.363 -6.671 0.325 272 HB3 SER 37 HB1 SER 37 -8.901 -8.328 0.711 273 HG SER 37 HG SER 37 -8.583 -7.712 2.683 274 H GLY 38 HN GLY 38 -5.124 -6.632 1.248 275 HA2 GLY 38 HA2 GLY 38 -5.377 -3.708 0.996 276 HA3 GLY 38 HA1 GLY 38 -4.790 -4.485 2.461 277 H CYS 39 HN CYS 39 -3.906 -5.935 -0.487 278 HA CYS 39 HA CYS 39 -1.129 -5.204 -0.109 279 HB2 CYS 39 HB2 CYS 39 -1.942 -7.602 -0.588 280 HB3 CYS 39 HB1 CYS 39 -2.171 -7.056 -2.242 281 H ARG 40 HN ARG 40 -3.453 -5.311 -2.818 282 HA ARG 40 HA ARG 40 -2.010 -3.018 -3.959 283 HB2 ARG 40 HB2 ARG 40 -2.904 -4.141 -6.206 284 HB3 ARG 40 HB1 ARG 40 -1.299 -4.380 -5.535 285 HG2 ARG 40 HG2 ARG 40 -3.327 -6.244 -4.525 286 HG3 ARG 40 HG1 ARG 40 -2.998 -6.376 -6.253 287 HD2 ARG 40 HD2 ARG 40 -0.739 -6.872 -5.903 288 HD3 ARG 40 HD1 ARG 40 -0.771 -6.270 -4.246 289 HE ARG 40 HE ARG 40 -1.421 -8.345 -3.568 290 HH11 ARG 40 HH11 ARG 40 -2.157 -8.028 -6.965 291 HH12 ARG 40 HH12 ARG 40 -2.679 -9.670 -7.134 292 HH21 ARG 40 HH21 ARG 40 -2.110 -10.506 -3.788 293 HH22 ARG 40 HH22 ARG 40 -2.652 -11.077 -5.330 294 H VAL 41 HN VAL 41 -4.778 -3.557 -2.552 295 HA VAL 41 HA VAL 41 -6.070 -1.506 -4.144 296 HB VAL 41 HB VAL 41 -7.609 -3.993 -3.394 297 HG11 VAL 41 HG11 VAL 41 -8.670 -1.594 -3.588 298 HG12 VAL 41 HG12 VAL 41 -9.492 -3.008 -4.247 299 HG13 VAL 41 HG13 VAL 41 -8.584 -1.939 -5.315 300 HG21 VAL 41 HG21 VAL 41 -7.769 -4.229 -5.939 301 HG22 VAL 41 HG22 VAL 41 -6.252 -4.691 -5.169 302 HG23 VAL 41 HG23 VAL 41 -6.383 -3.140 -5.997 303 H ASN 42 HN ASN 42 -7.214 -0.056 -2.829 304 HA ASN 42 HA ASN 42 -7.593 1.052 -0.841 305 HB2 ASN 42 HB2 ASN 42 -8.879 -0.421 0.885 306 HB3 ASN 42 HB1 ASN 42 -9.662 -0.025 -0.637 307 HD21 ASN 42 HD21 ASN 42 -8.762 -2.472 1.457 308 HD22 ASN 42 HD22 ASN 42 -9.067 -3.824 0.426 309 H CYS 43 HN CYS 43 -5.391 -0.868 -1.366 310 HA CYS 43 HA CYS 43 -4.310 -1.782 1.097 311 HB2 CYS 43 HB2 CYS 43 -2.697 -2.776 -0.334 312 HB3 CYS 43 HB1 CYS 43 -4.208 -2.877 -1.212 313 H PHE 44 HN PHE 44 -3.689 0.599 -1.350 314 HA PHE 44 HA PHE 44 -1.248 1.189 -0.926 315 HB2 PHE 44 HB2 PHE 44 -3.025 2.371 -2.419 316 HB3 PHE 44 HB1 PHE 44 -2.900 3.622 -1.182 317 HD1 PHE 44 HD1 PHE 44 -1.940 5.243 -2.720 318 HD2 PHE 44 HD2 PHE 44 -0.048 1.492 -2.042 319 HE1 PHE 44 HE1 PHE 44 0.120 6.067 -3.780 320 HE2 PHE 44 HE2 PHE 44 1.998 2.322 -3.096 321 HZ PHE 44 HZ PHE 44 2.088 4.619 -3.968 322 H GLU 45 HN GLU 45 -3.558 3.332 0.733 323 HA GLU 45 HA GLU 45 -1.473 4.114 2.565 324 HB2 GLU 45 HB2 GLU 45 -3.517 5.469 1.508 325 HB3 GLU 45 HB1 GLU 45 -4.264 4.984 3.023 326 HG2 GLU 45 HG2 GLU 45 -1.844 5.894 3.872 327 HG3 GLU 45 HG1 GLU 45 -2.168 6.952 2.500 328 H ASN 46 HN ASN 46 -4.765 2.895 3.093 329 HA ASN 46 HA ASN 46 -4.784 2.596 5.750 330 HB2 ASN 46 HB2 ASN 46 -6.411 1.784 3.746 331 HB3 ASN 46 HB1 ASN 46 -5.869 0.231 4.375 332 HD21 ASN 46 HD21 ASN 46 -5.719 0.489 6.978 333 HD22 ASN 46 HD22 ASN 46 -7.228 0.962 7.674 334 H HIS 47 HN HIS 47 -3.852 -0.260 3.738 335 HA HIS 47 HA HIS 47 -2.405 -1.167 6.135 336 HB2 HIS 47 HB2 HIS 47 -3.959 -2.631 4.058 337 HB3 HIS 47 HB1 HIS 47 -2.691 -3.467 4.946 338 HD1 HIS 47 HD1 HIS 47 -2.995 -3.035 7.724 339 HD2 HIS 47 HD2 HIS 47 -6.349 -2.878 5.276 340 HE1 HIS 47 HE1 HIS 47 -4.960 -3.394 9.252 341 HE2 HIS 47 HE2 HIS 47 -6.983 -3.201 7.762 342 H VAL 48 HN VAL 48 -2.070 -1.269 2.552 343 HA VAL 48 HA VAL 48 0.420 -2.550 2.797 344 HB VAL 48 HB VAL 48 -1.186 -2.300 0.673 345 HG11 VAL 48 HG11 VAL 48 1.034 -0.554 -0.272 346 HG12 VAL 48 HG12 VAL 48 -0.285 0.202 0.616 347 HG13 VAL 48 HG13 VAL 48 -0.619 -0.696 -0.859 348 HG21 VAL 48 HG21 VAL 48 1.696 -2.941 0.973 349 HG22 VAL 48 HG22 VAL 48 1.050 -2.821 -0.663 350 HG23 VAL 48 HG23 VAL 48 0.346 -3.964 0.480 351 H PHE 49 HN PHE 49 -0.377 0.634 3.431 352 HA PHE 49 HA PHE 49 2.456 1.346 3.155 353 HB2 PHE 49 HB2 PHE 49 0.022 2.993 2.761 354 HB3 PHE 49 HB1 PHE 49 1.392 3.770 3.539 355 HD1 PHE 49 HD1 PHE 49 1.553 5.307 1.616 356 HD2 PHE 49 HD2 PHE 49 2.071 1.108 1.169 357 HE1 PHE 49 HE1 PHE 49 2.635 5.664 -0.563 358 HE2 PHE 49 HE2 PHE 49 3.152 1.462 -1.008 359 HZ PHE 49 HZ PHE 49 3.435 3.748 -1.875 360 H ASP 50 HN ASP 50 -0.111 0.723 5.294 361 HA ASP 50 HA ASP 50 1.044 2.150 7.511 362 HB2 ASP 50 HB2 ASP 50 -1.325 0.406 7.053 363 HB3 ASP 50 HB1 ASP 50 -0.700 0.544 8.690 364 H ASP 51 HN ASP 51 0.708 -1.067 6.149 365 HA ASP 51 HA ASP 51 2.169 -2.226 8.311 366 HB2 ASP 51 HB2 ASP 51 0.206 -3.284 7.047 367 HB3 ASP 51 HB1 ASP 51 1.399 -3.681 5.813 368 H CYS 52 HN CYS 52 2.792 -1.502 4.923 369 HA CYS 52 HA CYS 52 5.354 -2.849 5.054 370 HB2 CYS 52 HB2 CYS 52 3.986 -1.327 2.855 371 HB3 CYS 52 HB1 CYS 52 5.609 -1.982 2.694 372 H VAL 53 HN VAL 53 4.547 0.477 4.048 373 HA VAL 53 HA VAL 53 7.227 1.308 4.566 374 HB VAL 53 HB VAL 53 5.901 3.682 4.470 375 HG11 VAL 53 HG11 VAL 53 6.477 2.268 1.906 376 HG12 VAL 53 HG12 VAL 53 7.787 2.589 3.041 377 HG13 VAL 53 HG13 VAL 53 6.843 3.926 2.384 378 HG21 VAL 53 HG21 VAL 53 4.397 2.135 2.429 379 HG22 VAL 53 HG22 VAL 53 3.996 3.660 3.220 380 HG23 VAL 53 HG23 VAL 53 3.810 2.140 4.089 381 H TYR 54 HN TYR 54 4.132 2.070 6.176 382 HA TYR 54 HA TYR 54 5.311 3.567 8.188 383 HB2 TYR 54 HB2 TYR 54 2.941 3.755 7.717 384 HB3 TYR 54 HB1 TYR 54 2.691 2.102 8.250 385 HD1 TYR 54 HD1 TYR 54 3.026 5.547 9.273 386 HD2 TYR 54 HD2 TYR 54 2.977 1.527 10.665 387 HE1 TYR 54 HE1 TYR 54 2.622 6.351 11.561 388 HE2 TYR 54 HE2 TYR 54 2.572 2.320 12.957 389 HH TYR 54 HH TYR 54 3.172 4.826 14.170 390 H GLU 55 HN GLU 55 5.292 0.186 7.825 391 HA GLU 55 HA GLU 55 6.077 -0.064 10.651 392 HB2 GLU 55 HB2 GLU 55 4.131 -1.462 9.353 393 HB3 GLU 55 HB1 GLU 55 5.508 -2.540 9.166 394 HG2 GLU 55 HG2 GLU 55 5.723 -1.941 11.782 395 HG3 GLU 55 HG1 GLU 55 3.977 -1.818 11.570 396 H LEU 56 HN LEU 56 6.998 -0.773 7.334 397 HA LEU 56 HA LEU 56 9.466 -2.022 8.340 398 HB2 LEU 56 HB2 LEU 56 8.749 -1.937 5.442 399 HB3 LEU 56 HB1 LEU 56 9.761 -3.080 6.298 400 HG LEU 56 HG LEU 56 6.755 -2.920 6.327 401 HD11 LEU 56 HD11 LEU 56 7.570 -4.070 4.412 402 HD12 LEU 56 HD12 LEU 56 7.018 -5.293 5.557 403 HD13 LEU 56 HD13 LEU 56 8.742 -4.969 5.376 404 HD21 LEU 56 HD21 LEU 56 7.744 -3.360 8.601 405 HD22 LEU 56 HD22 LEU 56 8.447 -4.828 7.924 406 HD23 LEU 56 HD23 LEU 56 6.695 -4.630 7.971 407 H LEU 57 HN LEU 57 8.761 0.086 5.552 408 HA LEU 57 HA LEU 57 11.485 1.025 5.579 409 HB2 LEU 57 HB2 LEU 57 9.169 1.327 3.728 410 HB3 LEU 57 HB1 LEU 57 10.556 2.386 3.565 411 HG LEU 57 HG LEU 57 10.848 -0.607 3.579 412 HD11 LEU 57 HD11 LEU 57 10.360 -0.798 1.380 413 HD12 LEU 57 HD12 LEU 57 10.885 0.843 1.006 414 HD13 LEU 57 HD13 LEU 57 9.305 0.568 1.738 415 HD21 LEU 57 HD21 LEU 57 12.736 1.258 3.836 416 HD22 LEU 57 HD22 LEU 57 12.619 1.229 2.076 417 HD23 LEU 57 HD23 LEU 57 13.001 -0.249 2.959 418 H LEU 58 HN LEU 58 8.408 2.829 5.382 419 HA LEU 58 HA LEU 58 9.768 4.999 6.849 420 HB2 LEU 58 HB2 LEU 58 7.625 5.328 4.759 421 HB3 LEU 58 HB1 LEU 58 8.539 6.604 5.541 422 HG LEU 58 HG LEU 58 9.785 4.507 3.766 423 HD11 LEU 58 HD11 LEU 58 8.050 6.310 2.834 424 HD12 LEU 58 HD12 LEU 58 9.477 5.794 1.934 425 HD13 LEU 58 HD13 LEU 58 9.509 7.301 2.850 426 HD21 LEU 58 HD21 LEU 58 10.968 6.137 5.607 427 HD22 LEU 58 HD22 LEU 58 11.084 7.102 4.136 428 HD23 LEU 58 HD23 LEU 58 11.761 5.474 4.178 429 H HIS 59 HN HIS 59 8.995 4.447 8.852 430 HA HIS 59 HA HIS 59 6.294 3.929 9.450 431 HB2 HIS 59 HB2 HIS 59 7.029 4.467 11.819 432 HB3 HIS 59 HB1 HIS 59 7.897 3.170 10.999 433 HD1 HIS 59 HD1 HIS 59 10.211 3.297 11.867 434 HD2 HIS 59 HD2 HIS 59 8.712 7.049 10.905 435 HE1 HIS 59 HE1 HIS 59 12.127 4.891 12.196 436 HE2 HIS 59 HE2 HIS 59 11.171 7.167 11.693 437 H ASN 60 HN ASN 60 7.968 6.822 8.765 438 HA ASN 60 HA ASN 60 5.608 8.382 9.493 439 HB2 ASN 60 HB2 ASN 60 7.618 8.650 11.103 440 HB3 ASN 60 HB1 ASN 60 8.371 9.534 9.780 441 HD21 ASN 60 HD21 ASN 60 5.824 9.512 12.134 442 HD22 ASN 60 HD22 ASN 60 5.383 11.174 11.972 443 HA PRO 61 HA PRO 61 8.012 10.454 5.830 444 HB2 PRO 61 HB2 PRO 61 9.507 8.141 4.759 445 HB3 PRO 61 HB1 PRO 61 10.014 9.824 4.937 446 HG2 PRO 61 HG2 PRO 61 10.959 7.935 6.563 447 HG3 PRO 61 HG1 PRO 61 10.572 9.557 7.173 448 HD2 PRO 61 HD2 PRO 61 8.986 7.025 7.382 449 HD3 PRO 61 HD1 PRO 61 9.286 8.267 8.617 450 H GLU 62 HN GLU 62 5.548 9.564 5.786 451 HA GLU 62 HA GLU 62 5.145 7.789 3.527 452 HB2 GLU 62 HB2 GLU 62 3.739 7.990 5.789 453 HB3 GLU 62 HB1 GLU 62 2.872 9.195 4.847 454 HG2 GLU 62 HG2 GLU 62 3.003 7.126 3.089 455 HG3 GLU 62 HG1 GLU 62 2.880 6.277 4.630 456 H GLU 63 HN GLU 63 5.924 10.896 3.947 457 HA GLU 63 HA GLU 63 4.315 12.620 2.632 458 HB2 GLU 63 HB2 GLU 63 7.284 12.254 2.401 459 HB3 GLU 63 HB1 GLU 63 6.446 13.633 1.706 460 HG2 GLU 63 HG2 GLU 63 7.013 14.565 3.685 461 HG3 GLU 63 HG1 GLU 63 5.504 13.807 4.189 462 H VAL 64 HN VAL 64 7.020 11.365 0.715 463 HA VAL 64 HA VAL 64 5.690 11.720 -1.739 464 HB VAL 64 HB VAL 64 7.488 10.193 -2.666 465 HG11 VAL 64 HG11 VAL 64 8.126 12.328 -3.028 466 HG12 VAL 64 HG12 VAL 64 9.315 11.971 -1.775 467 HG13 VAL 64 HG13 VAL 64 7.824 12.815 -1.360 468 HG21 VAL 64 HG21 VAL 64 9.034 10.506 -0.172 469 HG22 VAL 64 HG22 VAL 64 9.025 9.191 -1.347 470 HG23 VAL 64 HG23 VAL 64 7.748 9.300 -0.136 471 H LEU 65 HN LEU 65 5.164 9.444 0.629 472 HA LEU 65 HA LEU 65 4.493 7.261 -1.159 473 HB2 LEU 65 HB2 LEU 65 4.379 7.699 1.805 474 HB3 LEU 65 HB1 LEU 65 3.450 6.403 1.093 475 HG LEU 65 HG LEU 65 5.630 5.657 1.990 476 HD11 LEU 65 HD11 LEU 65 4.822 5.334 -0.835 477 HD12 LEU 65 HD12 LEU 65 5.015 4.129 0.438 478 HD13 LEU 65 HD13 LEU 65 6.433 4.766 -0.396 479 HD21 LEU 65 HD21 LEU 65 6.918 7.672 1.567 480 HD22 LEU 65 HD22 LEU 65 6.761 7.429 -0.173 481 HD23 LEU 65 HD23 LEU 65 7.681 6.280 0.799 482 H LEU 66 HN LEU 66 3.210 10.076 0.199 483 HA LEU 66 HA LEU 66 0.473 9.355 -0.153 484 HB2 LEU 66 HB2 LEU 66 1.765 11.212 1.418 485 HB3 LEU 66 HB1 LEU 66 1.060 12.201 0.153 486 HG LEU 66 HG LEU 66 -0.536 10.247 1.804 487 HD11 LEU 66 HD11 LEU 66 -1.371 12.367 2.921 488 HD12 LEU 66 HD12 LEU 66 0.054 13.159 2.248 489 HD13 LEU 66 HD13 LEU 66 0.242 11.815 3.375 490 HD21 LEU 66 HD21 LEU 66 -1.855 10.649 -0.011 491 HD22 LEU 66 HD22 LEU 66 -1.139 12.230 -0.324 492 HD23 LEU 66 HD23 LEU 66 -2.306 12.034 0.984 493 H MET 67 HN MET 67 3.022 11.072 -1.785 494 HA MET 67 HA MET 67 1.545 12.421 -3.752 495 HB2 MET 67 HB2 MET 67 4.014 12.692 -3.236 496 HB3 MET 67 HB1 MET 67 4.286 11.206 -4.137 497 HG2 MET 67 HG2 MET 67 3.339 12.244 -6.134 498 HG3 MET 67 HG1 MET 67 3.070 13.733 -5.231 499 HE1 MET 67 HE1 MET 67 4.901 14.631 -7.718 500 HE2 MET 67 HE2 MET 67 5.851 15.582 -6.576 501 HE3 MET 67 HE3 MET 67 4.123 15.350 -6.307 502 H ARG 68 HN ARG 68 3.170 9.239 -3.873 503 HA ARG 68 HA ARG 68 2.311 8.453 -6.396 504 HB2 ARG 68 HB2 ARG 68 2.486 6.594 -4.019 505 HB3 ARG 68 HB1 ARG 68 2.714 6.186 -5.714 506 HG2 ARG 68 HG2 ARG 68 4.708 7.745 -5.679 507 HG3 ARG 68 HG1 ARG 68 4.534 7.763 -3.926 508 HD2 ARG 68 HD2 ARG 68 4.788 5.335 -3.869 509 HD3 ARG 68 HD1 ARG 68 4.942 5.306 -5.625 510 HE ARG 68 HE ARG 68 6.864 6.996 -4.311 511 HH11 ARG 68 HH11 ARG 68 6.167 3.754 -5.394 512 HH12 ARG 68 HH12 ARG 68 7.832 3.292 -5.489 513 HH21 ARG 68 HH21 ARG 68 9.056 6.392 -4.436 514 HH22 ARG 68 HH22 ARG 68 9.473 4.790 -4.945 515 H ASP 69 HN ASP 69 0.675 8.398 -3.309 516 HA ASP 69 HA ASP 69 -1.617 6.944 -3.997 517 HB2 ASP 69 HB2 ASP 69 -0.753 7.835 -1.679 518 HB3 ASP 69 HB1 ASP 69 -1.759 9.228 -2.063 519 H ALA 70 HN ALA 70 -0.576 10.045 -4.933 520 HA ALA 70 HA ALA 70 -3.087 11.286 -5.392 521 HB1 ALA 70 HB1 ALA 70 -0.767 12.387 -5.344 522 HB2 ALA 70 HB2 ALA 70 -1.907 12.942 -6.571 523 HB3 ALA 70 HB3 ALA 70 -0.610 11.830 -7.010 524 H ILE 71 HN ILE 71 -1.026 9.092 -7.128 525 HA ILE 71 HA ILE 71 -2.873 9.030 -9.405 526 HB ILE 71 HB ILE 71 -0.266 7.545 -9.204 527 HG12 ILE 71 HG12 ILE 71 -0.739 10.369 -10.184 528 HG13 ILE 71 HG11 ILE 71 0.278 9.879 -8.834 529 HG21 ILE 71 HG21 ILE 71 -1.354 8.590 -11.749 530 HG22 ILE 71 HG22 ILE 71 -2.218 7.252 -10.992 531 HG23 ILE 71 HG23 ILE 71 -0.513 7.078 -11.408 532 HD11 ILE 71 HD11 ILE 71 0.972 10.190 -11.563 533 HD12 ILE 71 HD12 ILE 71 1.179 8.494 -11.127 534 HD13 ILE 71 HD13 ILE 71 2.003 9.749 -10.202 535 H ARG 72 HN ARG 72 -1.127 6.823 -7.184 536 HA ARG 72 HA ARG 72 -2.474 4.481 -7.855 537 HB2 ARG 72 HB2 ARG 72 -0.765 5.435 -5.691 538 HB3 ARG 72 HB1 ARG 72 -1.972 4.300 -5.112 539 HG2 ARG 72 HG2 ARG 72 -1.001 3.084 -7.385 540 HG3 ARG 72 HG1 ARG 72 0.414 3.851 -6.678 541 HD2 ARG 72 HD2 ARG 72 0.559 2.298 -5.123 542 HD3 ARG 72 HD1 ARG 72 -1.098 2.596 -4.613 543 HE ARG 72 HE ARG 72 -1.409 1.053 -6.794 544 HH11 ARG 72 HH11 ARG 72 0.538 0.725 -3.919 545 HH12 ARG 72 HH12 ARG 72 0.458 -1.003 -3.904 546 HH21 ARG 72 HH21 ARG 72 -1.544 -1.230 -6.749 547 HH22 ARG 72 HH22 ARG 72 -0.714 -2.111 -5.513 548 H GLY 73 HN GLY 73 -3.143 6.878 -5.310 549 HA2 GLY 73 HA2 GLY 73 -5.833 5.702 -5.002 550 HA3 GLY 73 HA1 GLY 73 -5.002 6.644 -3.773 Start of MODEL 4 1 H1 GLN 1 HN GLN 1 -17.479 10.964 -3.648 2 HA GLN 1 HA GLN 1 -14.558 11.073 -3.619 3 HB2 GLN 1 HB2 GLN 1 -14.902 12.056 -1.330 4 HB3 GLN 1 HB1 GLN 1 -15.586 12.995 -2.650 5 HG2 GLN 1 HG2 GLN 1 -17.443 11.067 -1.482 6 HG3 GLN 1 HG1 GLN 1 -16.886 12.306 -0.358 7 HE21 GLN 1 HE21 GLN 1 -19.144 11.555 -2.656 8 HE22 GLN 1 HE22 GLN 1 -19.704 13.146 -3.029 9 H ILE 2 HN ILE 2 -13.336 9.544 -2.714 10 HA ILE 2 HA ILE 2 -12.702 7.652 -1.617 11 HB ILE 2 HB ILE 2 -15.123 8.082 0.133 12 HG12 ILE 2 HG12 ILE 2 -12.374 9.068 0.814 13 HG13 ILE 2 HG11 ILE 2 -13.424 10.050 -0.202 14 HG21 ILE 2 HG21 ILE 2 -13.481 5.952 0.089 15 HG22 ILE 2 HG22 ILE 2 -14.271 6.546 1.549 16 HG23 ILE 2 HG23 ILE 2 -12.601 6.996 1.205 17 HD11 ILE 2 HD11 ILE 2 -15.096 9.450 1.839 18 HD12 ILE 2 HD12 ILE 2 -14.102 10.904 1.748 19 HD13 ILE 2 HD13 ILE 2 -13.542 9.510 2.672 20 H PHE 3 HN PHE 3 -12.954 6.009 -3.029 21 HA PHE 3 HA PHE 3 -15.579 4.959 -3.645 22 HB2 PHE 3 HB2 PHE 3 -12.815 4.127 -4.547 23 HB3 PHE 3 HB1 PHE 3 -14.307 3.383 -5.113 24 HD1 PHE 3 HD1 PHE 3 -15.549 4.343 -6.853 25 HD2 PHE 3 HD2 PHE 3 -12.425 6.566 -5.008 26 HE1 PHE 3 HE1 PHE 3 -15.730 6.052 -8.614 27 HE2 PHE 3 HE2 PHE 3 -12.601 8.280 -6.764 28 HZ PHE 3 HZ PHE 3 -14.255 8.024 -8.571 29 H ASP 4 HN ASP 4 -12.669 3.057 -2.940 30 HA ASP 4 HA ASP 4 -13.404 2.005 -0.479 31 HB2 ASP 4 HB2 ASP 4 -14.190 -0.290 -1.262 32 HB3 ASP 4 HB1 ASP 4 -15.355 1.023 -1.401 33 H SER 5 HN SER 5 -11.069 2.768 -1.876 34 HA SER 5 HA SER 5 -9.244 0.841 -1.091 35 HB2 SER 5 HB2 SER 5 -8.472 0.024 -3.365 36 HB3 SER 5 HB1 SER 5 -10.007 -0.641 -2.808 37 HG SER 5 HG SER 5 -9.523 1.291 -4.798 38 H SER 6 HN SER 6 -7.467 2.016 -0.744 39 HA SER 6 HA SER 6 -7.092 4.468 -2.259 40 HB2 SER 6 HB2 SER 6 -6.057 3.428 0.336 41 HB3 SER 6 HB1 SER 6 -5.067 4.598 -0.536 42 HG SER 6 HG SER 6 -7.091 5.879 -0.626 43 H CYS 7 HN CYS 7 -6.254 1.422 -2.835 44 HA CYS 7 HA CYS 7 -3.803 2.418 -4.117 45 HB2 CYS 7 HB2 CYS 7 -3.804 -0.382 -4.352 46 HB3 CYS 7 HB1 CYS 7 -2.780 0.583 -3.299 47 H LYS 8 HN LYS 8 -3.827 2.450 -6.303 48 HA LYS 8 HA LYS 8 -6.022 1.035 -7.663 49 HB2 LYS 8 HB2 LYS 8 -6.628 3.399 -7.505 50 HB3 LYS 8 HB1 LYS 8 -5.100 3.857 -8.242 51 HG2 LYS 8 HG2 LYS 8 -6.488 3.986 -10.044 52 HG3 LYS 8 HG1 LYS 8 -5.944 2.314 -10.189 53 HD2 LYS 8 HD2 LYS 8 -8.326 2.379 -10.497 54 HD3 LYS 8 HD1 LYS 8 -7.978 1.604 -8.950 55 HE2 LYS 8 HE2 LYS 8 -8.342 4.516 -8.822 56 HE3 LYS 8 HE1 LYS 8 -9.775 3.612 -9.310 57 HZ1 LYS 8 HZ1 LYS 8 -8.445 3.719 -6.745 58 HZ2 LYS 8 HZ2 LYS 8 -8.908 2.166 -7.230 59 HZ3 LYS 8 HZ3 LYS 8 -10.065 3.395 -7.114 60 H GLY 9 HN GLY 9 -5.578 0.185 -9.641 61 HA2 GLY 9 HA2 GLY 9 -3.148 -0.866 -10.205 62 HA3 GLY 9 HA1 GLY 9 -4.344 -0.528 -11.439 63 H VAL 10 HN VAL 10 -4.043 2.448 -10.768 64 HA VAL 10 HA VAL 10 -2.113 2.898 -12.756 65 HB VAL 10 HB VAL 10 -3.319 5.058 -11.087 66 HG11 VAL 10 HG11 VAL 10 -2.876 6.494 -12.878 67 HG12 VAL 10 HG12 VAL 10 -2.638 5.160 -14.007 68 HG13 VAL 10 HG13 VAL 10 -1.432 5.489 -12.764 69 HG21 VAL 10 HG21 VAL 10 -4.534 3.482 -13.333 70 HG22 VAL 10 HG22 VAL 10 -5.056 5.126 -12.965 71 HG23 VAL 10 HG23 VAL 10 -5.215 3.857 -11.750 72 H TYR 11 HN TYR 11 -2.076 3.997 -9.379 73 HA TYR 11 HA TYR 11 0.720 4.647 -9.802 74 HB2 TYR 11 HB2 TYR 11 -1.199 5.618 -7.938 75 HB3 TYR 11 HB1 TYR 11 0.075 4.814 -7.022 76 HD1 TYR 11 HD1 TYR 11 2.426 5.317 -8.719 77 HD2 TYR 11 HD2 TYR 11 -0.737 7.937 -7.605 78 HE1 TYR 11 HE1 TYR 11 3.911 7.246 -9.049 79 HE2 TYR 11 HE2 TYR 11 0.739 9.870 -7.939 80 HH TYR 11 HH TYR 11 3.854 9.822 -7.961 81 H ASP 12 HN ASP 12 -1.352 2.210 -8.951 82 HA ASP 12 HA ASP 12 0.306 0.582 -7.313 83 HB2 ASP 12 HB2 ASP 12 -2.071 0.163 -7.545 84 HB3 ASP 12 HB1 ASP 12 -1.849 -0.078 -9.265 85 H ARG 13 HN ARG 13 0.429 1.649 -10.411 86 HA ARG 13 HA ARG 13 1.669 -0.568 -11.643 87 HB2 ARG 13 HB2 ARG 13 0.327 1.261 -12.833 88 HB3 ARG 13 HB1 ARG 13 1.750 2.274 -12.627 89 HG2 ARG 13 HG2 ARG 13 2.977 1.107 -14.160 90 HG3 ARG 13 HG1 ARG 13 2.085 -0.393 -13.894 91 HD2 ARG 13 HD2 ARG 13 0.164 0.519 -15.071 92 HD3 ARG 13 HD1 ARG 13 1.006 2.052 -15.292 93 HE ARG 13 HE ARG 13 2.090 1.137 -17.075 94 HH11 ARG 13 HH11 ARG 13 0.868 -1.456 -15.085 95 HH12 ARG 13 HH12 ARG 13 1.334 -2.697 -16.199 96 HH21 ARG 13 HH21 ARG 13 2.704 -0.493 -18.541 97 HH22 ARG 13 HH22 ARG 13 2.378 -2.151 -18.161 98 H ALA 14 HN ALA 14 2.446 2.493 -10.266 99 HA ALA 14 HA ALA 14 5.314 2.234 -10.575 100 HB1 ALA 14 HB1 ALA 14 5.433 4.384 -9.872 101 HB2 ALA 14 HB2 ALA 14 4.264 4.134 -8.576 102 HB3 ALA 14 HB3 ALA 14 3.706 4.384 -10.230 103 H ILE 15 HN ILE 15 2.871 1.546 -8.216 104 HA ILE 15 HA ILE 15 4.719 0.975 -6.125 105 HB ILE 15 HB ILE 15 2.928 0.574 -4.770 106 HG12 ILE 15 HG12 ILE 15 0.612 -0.012 -5.940 107 HG13 ILE 15 HG11 ILE 15 1.704 -0.693 -7.127 108 HG21 ILE 15 HG21 ILE 15 2.653 2.733 -6.416 109 HG22 ILE 15 HG22 ILE 15 1.824 2.465 -4.885 110 HG23 ILE 15 HG23 ILE 15 1.047 2.004 -6.396 111 HD11 ILE 15 HD11 ILE 15 0.794 -2.167 -5.213 112 HD12 ILE 15 HD12 ILE 15 2.030 -1.367 -4.245 113 HD13 ILE 15 HD13 ILE 15 2.490 -2.291 -5.674 114 H PHE 16 HN PHE 16 3.007 -0.718 -8.641 115 HA PHE 16 HA PHE 16 3.081 -3.332 -8.020 116 HB2 PHE 16 HB2 PHE 16 2.709 -2.032 -10.339 117 HB3 PHE 16 HB1 PHE 16 4.311 -2.687 -10.648 118 HD1 PHE 16 HD1 PHE 16 4.513 -5.268 -9.897 119 HD2 PHE 16 HD2 PHE 16 0.940 -3.280 -11.080 120 HE1 PHE 16 HE1 PHE 16 3.517 -7.432 -10.512 121 HE2 PHE 16 HE2 PHE 16 -0.062 -5.441 -11.696 122 HZ PHE 16 HZ PHE 16 1.227 -7.521 -11.412 123 H ASN 17 HN ASN 17 5.809 -1.633 -9.491 124 HA ASN 17 HA ASN 17 7.608 -3.779 -8.794 125 HB2 ASN 17 HB2 ASN 17 8.195 -1.118 -10.096 126 HB3 ASN 17 HB1 ASN 17 9.290 -2.494 -10.002 127 HD21 ASN 17 HD21 ASN 17 7.483 -0.897 -12.077 128 HD22 ASN 17 HD22 ASN 17 6.968 -2.169 -13.127 129 H GLU 18 HN GLU 18 6.703 -0.708 -7.374 130 HA GLU 18 HA GLU 18 9.154 -0.570 -5.866 131 HB2 GLU 18 HB2 GLU 18 6.791 1.264 -6.163 132 HB3 GLU 18 HB1 GLU 18 8.044 1.533 -4.958 133 HG2 GLU 18 HG2 GLU 18 8.736 1.195 -7.849 134 HG3 GLU 18 HG1 GLU 18 8.208 2.752 -7.211 135 H LEU 19 HN LEU 19 5.696 -0.384 -5.125 136 HA LEU 19 HA LEU 19 6.283 -1.069 -2.455 137 HB2 LEU 19 HB2 LEU 19 3.614 -0.560 -3.658 138 HB3 LEU 19 HB1 LEU 19 4.064 -0.393 -1.969 139 HG LEU 19 HG LEU 19 4.906 1.363 -4.275 140 HD11 LEU 19 HD11 LEU 19 3.764 2.604 -1.910 141 HD12 LEU 19 HD12 LEU 19 2.663 1.455 -2.670 142 HD13 LEU 19 HD13 LEU 19 3.330 2.791 -3.609 143 HD21 LEU 19 HD21 LEU 19 5.722 1.722 -1.401 144 HD22 LEU 19 HD22 LEU 19 6.328 2.562 -2.828 145 HD23 LEU 19 HD23 LEU 19 6.726 0.863 -2.570 146 H GLU 20 HN GLU 20 4.281 -2.309 -5.016 147 HA GLU 20 HA GLU 20 3.046 -4.316 -3.864 148 HB2 GLU 20 HB2 GLU 20 3.635 -3.665 -6.476 149 HB3 GLU 20 HB1 GLU 20 4.159 -5.332 -6.327 150 HG2 GLU 20 HG2 GLU 20 1.537 -4.817 -5.158 151 HG3 GLU 20 HG1 GLU 20 1.620 -4.502 -6.891 152 H HIS 21 HN HIS 21 6.442 -4.411 -4.818 153 HA HIS 21 HA HIS 21 6.876 -7.132 -4.154 154 HB2 HIS 21 HB2 HIS 21 8.685 -4.756 -4.463 155 HB3 HIS 21 HB1 HIS 21 9.307 -6.264 -3.795 156 HD1 HIS 21 HD1 HIS 21 6.894 -5.883 -6.699 157 HD2 HIS 21 HD2 HIS 21 10.751 -7.208 -5.905 158 HE1 HIS 21 HE1 HIS 21 7.707 -6.912 -8.845 159 HE2 HIS 21 HE2 HIS 21 10.007 -7.790 -8.312 160 H VAL 22 HN VAL 22 7.158 -4.090 -2.377 161 HA VAL 22 HA VAL 22 8.239 -5.015 0.005 162 HB VAL 22 HB VAL 22 6.031 -2.957 -0.145 163 HG11 VAL 22 HG11 VAL 22 6.571 -2.380 1.956 164 HG12 VAL 22 HG12 VAL 22 8.300 -2.577 1.671 165 HG13 VAL 22 HG13 VAL 22 7.300 -3.984 2.035 166 HG21 VAL 22 HG21 VAL 22 7.621 -2.318 -1.804 167 HG22 VAL 22 HG22 VAL 22 8.972 -2.663 -0.727 168 HG23 VAL 22 HG23 VAL 22 7.900 -1.305 -0.389 169 H CYS 23 HN CYS 23 4.964 -5.228 -1.247 170 HA CYS 23 HA CYS 23 3.694 -6.161 1.094 171 HB2 CYS 23 HB2 CYS 23 2.489 -5.400 -0.965 172 HB3 CYS 23 HB1 CYS 23 3.000 -6.887 -1.757 173 H ASN 24 HN ASN 24 5.174 -7.858 -1.656 174 HA ASN 24 HA ASN 24 4.753 -10.479 -0.879 175 HB2 ASN 24 HB2 ASN 24 6.147 -9.280 -2.902 176 HB3 ASN 24 HB1 ASN 24 7.462 -9.926 -1.924 177 HD21 ASN 24 HD21 ASN 24 7.178 -12.244 -1.266 178 HD22 ASN 24 HD22 ASN 24 6.554 -13.325 -2.460 179 H ASP 25 HN ASP 25 7.222 -8.169 0.105 180 HA ASP 25 HA ASP 25 8.637 -9.946 1.824 181 HB2 ASP 25 HB2 ASP 25 9.137 -7.451 0.862 182 HB3 ASP 25 HB1 ASP 25 8.637 -7.067 2.507 183 H CYS 26 HN CYS 26 5.915 -7.751 2.211 184 HA CYS 26 HA CYS 26 5.720 -7.867 5.030 185 HB2 CYS 26 HB2 CYS 26 4.023 -6.962 2.785 186 HB3 CYS 26 HB1 CYS 26 3.159 -7.403 4.252 187 H TYR 27 HN TYR 27 4.125 -9.707 2.447 188 HA TYR 27 HA TYR 27 2.337 -11.226 3.836 189 HB2 TYR 27 HB2 TYR 27 3.065 -11.224 1.301 190 HB3 TYR 27 HB1 TYR 27 4.034 -12.607 1.799 191 HD1 TYR 27 HD1 TYR 27 0.870 -11.560 0.641 192 HD2 TYR 27 HD2 TYR 27 2.744 -14.471 3.113 193 HE1 TYR 27 HE1 TYR 27 -1.102 -13.011 0.415 194 HE2 TYR 27 HE2 TYR 27 0.778 -15.932 2.894 195 HH TYR 27 HH TYR 27 -1.639 -15.429 0.593 196 H ASN 28 HN ASN 28 5.813 -11.539 3.834 197 HA ASN 28 HA ASN 28 6.100 -14.116 4.846 198 HB2 ASN 28 HB2 ASN 28 7.811 -12.075 4.203 199 HB3 ASN 28 HB1 ASN 28 7.987 -12.153 5.953 200 HD21 ASN 28 HD21 ASN 28 10.142 -12.848 5.617 201 HD22 ASN 28 HD22 ASN 28 10.486 -14.488 5.198 202 H LEU 29 HN LEU 29 4.939 -11.255 6.382 203 HA LEU 29 HA LEU 29 5.190 -12.485 9.034 204 HB2 LEU 29 HB2 LEU 29 5.926 -10.066 8.493 205 HB3 LEU 29 HB1 LEU 29 4.212 -9.697 8.509 206 HG LEU 29 HG LEU 29 4.315 -10.877 10.872 207 HD11 LEU 29 HD11 LEU 29 6.747 -11.448 10.505 208 HD12 LEU 29 HD12 LEU 29 6.364 -10.631 12.021 209 HD13 LEU 29 HD13 LEU 29 7.087 -9.727 10.690 210 HD21 LEU 29 HD21 LEU 29 3.562 -8.748 11.026 211 HD22 LEU 29 HD22 LEU 29 4.839 -8.104 9.994 212 HD23 LEU 29 HD23 LEU 29 5.175 -8.476 11.684 213 H TYR 30 HN TYR 30 2.759 -10.573 7.243 214 HA TYR 30 HA TYR 30 0.617 -11.564 8.862 215 HB2 TYR 30 HB2 TYR 30 0.919 -9.655 6.631 216 HB3 TYR 30 HB1 TYR 30 -0.644 -10.461 6.725 217 HD1 TYR 30 HD1 TYR 30 -2.257 -9.772 8.287 218 HD2 TYR 30 HD2 TYR 30 1.754 -8.412 8.684 219 HE1 TYR 30 HE1 TYR 30 -2.970 -8.200 10.038 220 HE2 TYR 30 HE2 TYR 30 1.053 -6.837 10.437 221 HH TYR 30 HH TYR 30 -1.101 -5.657 11.098 222 H ARG 31 HN ARG 31 -0.842 -13.130 8.456 223 HA ARG 31 HA ARG 31 -0.515 -14.683 5.974 224 HB2 ARG 31 HB2 ARG 31 -1.243 -16.665 7.431 225 HB3 ARG 31 HB1 ARG 31 0.401 -16.072 7.621 226 HG2 ARG 31 HG2 ARG 31 0.039 -15.325 9.725 227 HG3 ARG 31 HG1 ARG 31 -1.644 -14.903 9.405 228 HD2 ARG 31 HD2 ARG 31 -2.356 -17.137 9.647 229 HD3 ARG 31 HD1 ARG 31 -0.707 -17.754 9.554 230 HE ARG 31 HE ARG 31 -2.055 -16.787 11.883 231 HH11 ARG 31 HH11 ARG 31 1.075 -17.153 10.384 232 HH12 ARG 31 HH12 ARG 31 1.933 -17.161 11.888 233 HH21 ARG 31 HH21 ARG 31 -0.928 -16.796 13.862 234 HH22 ARG 31 HH22 ARG 31 0.796 -16.959 13.863 235 H THR 32 HN THR 32 -2.665 -13.044 8.067 236 HA THR 32 HA THR 32 -5.041 -14.439 7.228 237 HB THR 32 HB THR 32 -6.237 -12.943 8.640 238 HG1 THR 32 HG1 THR 32 -3.919 -11.319 8.548 239 HG21 THR 32 HG21 THR 32 -4.248 -14.452 9.669 240 HG22 THR 32 HG22 THR 32 -5.409 -13.536 10.629 241 HG23 THR 32 HG23 THR 32 -3.818 -12.857 10.287 242 H SER 33 HN SER 33 -6.874 -12.485 6.781 243 HA SER 33 HA SER 33 -6.256 -11.731 4.071 244 HB2 SER 33 HB2 SER 33 -8.694 -11.718 5.791 245 HB3 SER 33 HB1 SER 33 -8.666 -10.666 4.375 246 HG SER 33 HG SER 33 -8.725 -13.438 4.538 247 H HIS 34 HN HIS 34 -4.613 -10.381 5.948 248 HA HIS 34 HA HIS 34 -5.604 -7.622 5.757 249 HB2 HIS 34 HB2 HIS 34 -4.533 -9.002 7.951 250 HB3 HIS 34 HB1 HIS 34 -3.251 -7.919 7.420 251 HD1 HIS 34 HD1 HIS 34 -3.335 -6.007 8.993 252 HD2 HIS 34 HD2 HIS 34 -7.122 -7.120 7.696 253 HE1 HIS 34 HE1 HIS 34 -4.907 -4.301 9.964 254 HE2 HIS 34 HE2 HIS 34 -7.182 -4.945 9.094 255 H VAL 35 HN VAL 35 -3.048 -9.820 4.937 256 HA VAL 35 HA VAL 35 -1.333 -7.751 3.866 257 HB VAL 35 HB VAL 35 -0.328 -9.757 4.899 258 HG11 VAL 35 HG11 VAL 35 -0.587 -11.916 4.104 259 HG12 VAL 35 HG12 VAL 35 -1.163 -11.377 2.527 260 HG13 VAL 35 HG13 VAL 35 -2.214 -11.257 3.938 261 HG21 VAL 35 HG21 VAL 35 0.632 -10.245 2.222 262 HG22 VAL 35 HG22 VAL 35 1.439 -9.462 3.581 263 HG23 VAL 35 HG23 VAL 35 0.403 -8.520 2.509 264 H ALA 36 HN ALA 36 -3.500 -10.289 2.752 265 HA ALA 36 HA ALA 36 -3.029 -9.766 -0.043 266 HB1 ALA 36 HB1 ALA 36 -4.025 -11.906 1.291 267 HB2 ALA 36 HB2 ALA 36 -4.256 -11.622 -0.434 268 HB3 ALA 36 HB3 ALA 36 -5.513 -11.157 0.712 269 H SER 37 HN SER 37 -5.703 -9.179 2.226 270 HA SER 37 HA SER 37 -7.186 -7.584 0.370 271 HB2 SER 37 HB2 SER 37 -7.525 -7.402 3.353 272 HB3 SER 37 HB1 SER 37 -8.750 -7.293 2.089 273 HG SER 37 HG SER 37 -8.414 -9.538 1.708 274 H GLY 38 HN GLY 38 -4.363 -7.087 2.024 275 HA2 GLY 38 HA2 GLY 38 -4.653 -4.164 1.875 276 HA3 GLY 38 HA1 GLY 38 -3.808 -4.944 3.209 277 H CYS 39 HN CYS 39 -3.595 -6.265 0.043 278 HA CYS 39 HA CYS 39 -0.756 -5.687 -0.054 279 HB2 CYS 39 HB2 CYS 39 -1.895 -7.996 -0.601 280 HB3 CYS 39 HB1 CYS 39 -2.166 -7.263 -2.175 281 H ARG 40 HN ARG 40 -3.605 -5.395 -2.170 282 HA ARG 40 HA ARG 40 -2.391 -2.986 -3.281 283 HB2 ARG 40 HB2 ARG 40 -3.340 -3.885 -5.565 284 HB3 ARG 40 HB1 ARG 40 -1.696 -4.165 -5.021 285 HG2 ARG 40 HG2 ARG 40 -3.174 -6.290 -3.973 286 HG3 ARG 40 HG1 ARG 40 -3.780 -6.063 -5.614 287 HD2 ARG 40 HD2 ARG 40 -1.662 -6.398 -6.561 288 HD3 ARG 40 HD1 ARG 40 -0.838 -6.157 -5.021 289 HE ARG 40 HE ARG 40 -2.318 -8.345 -4.537 290 HH11 ARG 40 HH11 ARG 40 -0.173 -7.521 -7.164 291 HH12 ARG 40 HH12 ARG 40 0.285 -9.163 -7.470 292 HH21 ARG 40 HH21 ARG 40 -1.716 -10.505 -4.938 293 HH22 ARG 40 HH22 ARG 40 -0.590 -10.857 -6.206 294 H VAL 41 HN VAL 41 -4.933 -3.808 -1.660 295 HA VAL 41 HA VAL 41 -6.536 -1.825 -3.044 296 HB VAL 41 HB VAL 41 -7.858 -4.396 -2.196 297 HG11 VAL 41 HG11 VAL 41 -9.281 -2.404 -2.211 298 HG12 VAL 41 HG12 VAL 41 -9.756 -3.550 -3.464 299 HG13 VAL 41 HG13 VAL 41 -8.841 -2.104 -3.893 300 HG21 VAL 41 HG21 VAL 41 -6.312 -4.821 -4.064 301 HG22 VAL 41 HG22 VAL 41 -7.114 -3.559 -4.998 302 HG23 VAL 41 HG23 VAL 41 -7.999 -5.014 -4.538 303 H ASN 42 HN ASN 42 -7.667 -0.505 -1.619 304 HA ASN 42 HA ASN 42 -7.968 0.556 0.405 305 HB2 ASN 42 HB2 ASN 42 -9.075 -0.955 2.174 306 HB3 ASN 42 HB1 ASN 42 -9.943 -0.698 0.664 307 HD21 ASN 42 HD21 ASN 42 -8.193 -2.958 2.620 308 HD22 ASN 42 HD22 ASN 42 -8.621 -4.377 1.731 309 H CYS 43 HN CYS 43 -5.680 -1.253 -0.246 310 HA CYS 43 HA CYS 43 -4.422 -2.036 2.179 311 HB2 CYS 43 HB2 CYS 43 -2.813 -2.947 0.696 312 HB3 CYS 43 HB1 CYS 43 -4.366 -3.216 -0.072 313 H PHE 44 HN PHE 44 -4.128 0.379 -0.312 314 HA PHE 44 HA PHE 44 -1.691 1.126 -0.093 315 HB2 PHE 44 HB2 PHE 44 -3.673 2.247 -1.371 316 HB3 PHE 44 HB1 PHE 44 -3.507 3.456 -0.096 317 HD1 PHE 44 HD1 PHE 44 -0.989 1.398 -1.897 318 HD2 PHE 44 HD2 PHE 44 -2.430 5.299 -0.998 319 HE1 PHE 44 HE1 PHE 44 0.941 2.371 -3.064 320 HE2 PHE 44 HE2 PHE 44 -0.499 6.277 -2.168 321 HZ PHE 44 HZ PHE 44 1.183 4.813 -3.200 322 H GLU 45 HN GLU 45 -3.977 3.081 1.835 323 HA GLU 45 HA GLU 45 -1.780 3.883 3.537 324 HB2 GLU 45 HB2 GLU 45 -3.741 5.339 2.723 325 HB3 GLU 45 HB1 GLU 45 -4.657 4.576 4.015 326 HG2 GLU 45 HG2 GLU 45 -3.398 5.566 5.676 327 HG3 GLU 45 HG1 GLU 45 -2.025 5.851 4.607 328 H ASN 46 HN ASN 46 -4.976 2.527 4.234 329 HA ASN 46 HA ASN 46 -4.723 2.036 6.873 330 HB2 ASN 46 HB2 ASN 46 -6.583 1.434 5.008 331 HB3 ASN 46 HB1 ASN 46 -5.996 -0.179 5.403 332 HD21 ASN 46 HD21 ASN 46 -7.218 2.799 6.849 333 HD22 ASN 46 HD22 ASN 46 -7.977 2.040 8.203 334 H HIS 47 HN HIS 47 -4.037 -0.555 4.478 335 HA HIS 47 HA HIS 47 -2.568 -1.901 6.614 336 HB2 HIS 47 HB2 HIS 47 -3.248 -3.159 3.991 337 HB3 HIS 47 HB1 HIS 47 -2.993 -3.921 5.555 338 HD1 HIS 47 HD1 HIS 47 -4.978 -2.119 7.184 339 HD2 HIS 47 HD2 HIS 47 -5.834 -3.980 3.569 340 HE1 HIS 47 HE1 HIS 47 -7.483 -2.340 7.117 341 HE2 HIS 47 HE2 HIS 47 -7.982 -3.406 4.890 342 H VAL 48 HN VAL 48 -2.056 -1.774 3.067 343 HA VAL 48 HA VAL 48 0.519 -2.734 3.289 344 HB VAL 48 HB VAL 48 -1.004 -2.541 1.172 345 HG11 VAL 48 HG11 VAL 48 0.779 -0.364 0.293 346 HG12 VAL 48 HG12 VAL 48 -0.498 0.108 1.411 347 HG13 VAL 48 HG13 VAL 48 -0.907 -0.684 -0.106 348 HG21 VAL 48 HG21 VAL 48 0.746 -3.790 0.583 349 HG22 VAL 48 HG22 VAL 48 1.868 -2.835 1.551 350 HG23 VAL 48 HG23 VAL 48 1.444 -2.312 -0.080 351 H PHE 49 HN PHE 49 -0.479 0.408 4.039 352 HA PHE 49 HA PHE 49 2.325 1.265 3.844 353 HB2 PHE 49 HB2 PHE 49 -0.217 2.843 3.750 354 HB3 PHE 49 HB1 PHE 49 1.277 3.603 4.279 355 HD1 PHE 49 HD1 PHE 49 0.496 5.023 2.198 356 HD2 PHE 49 HD2 PHE 49 2.111 1.090 1.965 357 HE1 PHE 49 HE1 PHE 49 1.137 5.414 -0.138 358 HE2 PHE 49 HE2 PHE 49 2.758 1.480 -0.380 359 HZ PHE 49 HZ PHE 49 2.270 3.657 -1.422 360 H ASP 50 HN ASP 50 -0.187 0.391 5.967 361 HA ASP 50 HA ASP 50 0.962 1.724 8.253 362 HB2 ASP 50 HB2 ASP 50 -1.488 1.285 8.070 363 HB3 ASP 50 HB1 ASP 50 -1.132 -0.442 8.091 364 H ASP 51 HN ASP 51 0.661 -1.429 6.737 365 HA ASP 51 HA ASP 51 2.261 -2.621 8.783 366 HB2 ASP 51 HB2 ASP 51 0.235 -3.587 7.314 367 HB3 ASP 51 HB1 ASP 51 1.602 -4.208 6.395 368 H CYS 52 HN CYS 52 2.629 -1.934 5.334 369 HA CYS 52 HA CYS 52 5.241 -3.162 5.349 370 HB2 CYS 52 HB2 CYS 52 3.298 -2.457 3.352 371 HB3 CYS 52 HB1 CYS 52 4.894 -1.877 2.890 372 H VAL 53 HN VAL 53 4.089 0.095 4.465 373 HA VAL 53 HA VAL 53 6.773 1.047 4.497 374 HB VAL 53 HB VAL 53 6.011 3.085 3.789 375 HG11 VAL 53 HG11 VAL 53 4.207 2.680 2.143 376 HG12 VAL 53 HG12 VAL 53 3.955 1.101 2.885 377 HG13 VAL 53 HG13 VAL 53 5.495 1.478 2.116 378 HG21 VAL 53 HG21 VAL 53 3.163 2.894 4.415 379 HG22 VAL 53 HG22 VAL 53 4.250 4.271 4.494 380 HG23 VAL 53 HG23 VAL 53 4.225 3.095 5.800 381 H TYR 54 HN TYR 54 4.157 1.031 6.846 382 HA TYR 54 HA TYR 54 5.404 2.939 8.509 383 HB2 TYR 54 HB2 TYR 54 2.907 1.749 8.450 384 HB3 TYR 54 HB1 TYR 54 3.618 1.185 9.958 385 HD1 TYR 54 HD1 TYR 54 2.162 3.992 8.207 386 HD2 TYR 54 HD2 TYR 54 4.373 2.850 11.658 387 HE1 TYR 54 HE1 TYR 54 1.591 6.132 9.275 388 HE2 TYR 54 HE2 TYR 54 3.807 4.986 12.735 389 HH TYR 54 HH TYR 54 3.115 7.230 12.127 390 H GLU 55 HN GLU 55 5.978 -0.395 8.093 391 HA GLU 55 HA GLU 55 7.652 -0.289 10.514 392 HB2 GLU 55 HB2 GLU 55 6.036 -2.605 9.458 393 HB3 GLU 55 HB1 GLU 55 7.296 -2.784 10.671 394 HG2 GLU 55 HG2 GLU 55 5.917 -0.914 11.901 395 HG3 GLU 55 HG1 GLU 55 4.611 -1.533 10.891 396 H LEU 56 HN LEU 56 7.394 -1.150 7.157 397 HA LEU 56 HA LEU 56 10.068 -2.370 7.278 398 HB2 LEU 56 HB2 LEU 56 8.437 -2.326 4.784 399 HB3 LEU 56 HB1 LEU 56 9.652 -3.478 5.298 400 HG LEU 56 HG LEU 56 6.793 -3.267 6.172 401 HD11 LEU 56 HD11 LEU 56 7.092 -4.643 4.275 402 HD12 LEU 56 HD12 LEU 56 6.920 -5.729 5.654 403 HD13 LEU 56 HD13 LEU 56 8.516 -5.416 4.972 404 HD21 LEU 56 HD21 LEU 56 7.563 -3.652 8.268 405 HD22 LEU 56 HD22 LEU 56 9.107 -4.290 7.701 406 HD23 LEU 56 HD23 LEU 56 7.666 -5.307 7.666 407 H LEU 57 HN LEU 57 8.442 -0.281 4.886 408 HA LEU 57 HA LEU 57 11.011 0.640 3.974 409 HB2 LEU 57 HB2 LEU 57 8.585 0.207 2.787 410 HB3 LEU 57 HB1 LEU 57 8.671 1.956 2.843 411 HG LEU 57 HG LEU 57 11.134 1.397 1.877 412 HD11 LEU 57 HD11 LEU 57 10.032 -1.079 1.825 413 HD12 LEU 57 HD12 LEU 57 11.309 -0.529 0.740 414 HD13 LEU 57 HD13 LEU 57 9.627 -0.491 0.212 415 HD21 LEU 57 HD21 LEU 57 8.558 2.211 0.770 416 HD22 LEU 57 HD22 LEU 57 9.648 1.507 -0.425 417 HD23 LEU 57 HD23 LEU 57 10.165 2.896 0.530 418 H LEU 58 HN LEU 58 8.087 2.514 4.890 419 HA LEU 58 HA LEU 58 9.926 4.552 5.971 420 HB2 LEU 58 HB2 LEU 58 7.555 5.033 4.172 421 HB3 LEU 58 HB1 LEU 58 8.411 6.299 5.027 422 HG LEU 58 HG LEU 58 9.241 6.368 2.833 423 HD11 LEU 58 HD11 LEU 58 11.441 4.670 3.731 424 HD12 LEU 58 HD12 LEU 58 10.924 5.865 4.920 425 HD13 LEU 58 HD13 LEU 58 11.422 6.382 3.309 426 HD21 LEU 58 HD21 LEU 58 9.479 4.631 1.418 427 HD22 LEU 58 HD22 LEU 58 8.370 3.852 2.546 428 HD23 LEU 58 HD23 LEU 58 10.105 3.553 2.665 429 H HIS 59 HN HIS 59 9.396 3.774 8.067 430 HA HIS 59 HA HIS 59 6.898 3.452 9.166 431 HB2 HIS 59 HB2 HIS 59 7.919 3.757 11.316 432 HB3 HIS 59 HB1 HIS 59 9.080 2.945 10.272 433 HD1 HIS 59 HD1 HIS 59 10.223 5.434 8.820 434 HD2 HIS 59 HD2 HIS 59 9.621 5.162 12.923 435 HE1 HIS 59 HE1 HIS 59 11.790 7.114 9.843 436 HE2 HIS 59 HE2 HIS 59 11.469 6.872 12.330 437 H ASN 60 HN ASN 60 8.444 6.386 8.207 438 HA ASN 60 HA ASN 60 6.150 7.903 9.193 439 HB2 ASN 60 HB2 ASN 60 8.437 8.165 10.488 440 HB3 ASN 60 HB1 ASN 60 8.836 9.211 9.128 441 HD21 ASN 60 HD21 ASN 60 5.891 8.643 11.026 442 HD22 ASN 60 HD22 ASN 60 5.627 10.302 11.428 443 HA PRO 61 HA PRO 61 8.100 10.048 5.312 444 HB2 PRO 61 HB2 PRO 61 9.578 7.814 4.078 445 HB3 PRO 61 HB1 PRO 61 10.033 9.512 4.239 446 HG2 PRO 61 HG2 PRO 61 11.191 7.643 5.745 447 HG3 PRO 61 HG1 PRO 61 10.791 9.238 6.414 448 HD2 PRO 61 HD2 PRO 61 9.328 6.640 6.708 449 HD3 PRO 61 HD1 PRO 61 9.694 7.868 7.940 450 H GLU 62 HN GLU 62 5.681 8.916 5.539 451 HA GLU 62 HA GLU 62 5.123 7.260 3.241 452 HB2 GLU 62 HB2 GLU 62 3.937 7.303 5.611 453 HB3 GLU 62 HB1 GLU 62 2.983 8.578 4.867 454 HG2 GLU 62 HG2 GLU 62 2.942 6.593 2.969 455 HG3 GLU 62 HG1 GLU 62 2.880 5.698 4.487 456 H GLU 63 HN GLU 63 5.850 10.389 3.676 457 HA GLU 63 HA GLU 63 4.080 12.104 2.593 458 HB2 GLU 63 HB2 GLU 63 6.980 11.845 2.601 459 HB3 GLU 63 HB1 GLU 63 6.380 12.790 1.251 460 HG2 GLU 63 HG2 GLU 63 5.344 13.400 3.970 461 HG3 GLU 63 HG1 GLU 63 6.981 13.908 3.557 462 H VAL 64 HN VAL 64 6.596 10.986 0.363 463 HA VAL 64 HA VAL 64 5.043 11.414 -1.932 464 HB VAL 64 HB VAL 64 6.726 9.879 -3.066 465 HG11 VAL 64 HG11 VAL 64 7.151 12.127 -3.365 466 HG12 VAL 64 HG12 VAL 64 8.629 11.594 -2.563 467 HG13 VAL 64 HG13 VAL 64 7.375 12.424 -1.641 468 HG21 VAL 64 HG21 VAL 64 8.521 10.159 -0.744 469 HG22 VAL 64 HG22 VAL 64 8.374 8.850 -1.917 470 HG23 VAL 64 HG23 VAL 64 7.235 8.964 -0.576 471 H LEU 65 HN LEU 65 4.718 9.060 0.398 472 HA LEU 65 HA LEU 65 3.820 6.971 -1.416 473 HB2 LEU 65 HB2 LEU 65 4.164 7.231 1.541 474 HB3 LEU 65 HB1 LEU 65 3.023 6.049 0.945 475 HG LEU 65 HG LEU 65 5.946 6.149 0.202 476 HD11 LEU 65 HD11 LEU 65 6.041 5.457 2.386 477 HD12 LEU 65 HD12 LEU 65 5.816 3.916 1.560 478 HD13 LEU 65 HD13 LEU 65 4.445 4.709 2.336 479 HD21 LEU 65 HD21 LEU 65 5.568 4.516 -1.274 480 HD22 LEU 65 HD22 LEU 65 3.873 4.996 -1.182 481 HD23 LEU 65 HD23 LEU 65 4.469 3.667 -0.188 482 H LEU 66 HN LEU 66 2.731 9.684 0.309 483 HA LEU 66 HA LEU 66 -0.025 9.019 0.302 484 HB2 LEU 66 HB2 LEU 66 1.329 10.686 1.842 485 HB3 LEU 66 HB1 LEU 66 0.936 11.827 0.570 486 HG LEU 66 HG LEU 66 -1.469 11.351 0.915 487 HD11 LEU 66 HD11 LEU 66 -1.747 10.233 3.342 488 HD12 LEU 66 HD12 LEU 66 -0.340 9.346 2.757 489 HD13 LEU 66 HD13 LEU 66 -1.841 9.326 1.832 490 HD21 LEU 66 HD21 LEU 66 -1.651 12.881 2.580 491 HD22 LEU 66 HD22 LEU 66 0.078 13.044 2.275 492 HD23 LEU 66 HD23 LEU 66 -0.490 12.054 3.619 493 H MET 67 HN MET 67 2.249 10.838 -1.630 494 HA MET 67 HA MET 67 0.396 12.053 -3.393 495 HB2 MET 67 HB2 MET 67 2.822 12.692 -3.146 496 HB3 MET 67 HB1 MET 67 3.239 11.222 -4.016 497 HG2 MET 67 HG2 MET 67 1.594 12.202 -5.810 498 HG3 MET 67 HG1 MET 67 1.978 13.723 -5.007 499 HE1 MET 67 HE1 MET 67 3.754 12.422 -8.481 500 HE2 MET 67 HE2 MET 67 3.430 14.111 -8.089 501 HE3 MET 67 HE3 MET 67 2.187 12.889 -7.821 502 H ARG 68 HN ARG 68 2.238 9.030 -3.452 503 HA ARG 68 HA ARG 68 1.461 8.053 -5.925 504 HB2 ARG 68 HB2 ARG 68 2.070 6.658 -3.332 505 HB3 ARG 68 HB1 ARG 68 1.657 5.760 -4.786 506 HG2 ARG 68 HG2 ARG 68 3.562 6.765 -5.946 507 HG3 ARG 68 HG1 ARG 68 3.983 7.647 -4.476 508 HD2 ARG 68 HD2 ARG 68 4.739 5.774 -3.403 509 HD3 ARG 68 HD1 ARG 68 3.655 4.701 -4.286 510 HE ARG 68 HE ARG 68 5.243 4.483 -5.938 511 HH11 ARG 68 HH11 ARG 68 6.181 7.041 -3.753 512 HH12 ARG 68 HH12 ARG 68 7.784 7.166 -4.393 513 HH21 ARG 68 HH21 ARG 68 7.352 4.649 -6.777 514 HH22 ARG 68 HH22 ARG 68 8.449 5.810 -6.109 515 H ASP 69 HN ASP 69 -0.299 8.326 -2.952 516 HA ASP 69 HA ASP 69 -2.484 6.630 -3.654 517 HB2 ASP 69 HB2 ASP 69 -1.873 7.198 -1.291 518 HB3 ASP 69 HB1 ASP 69 -2.412 8.844 -1.590 519 H ALA 70 HN ALA 70 -1.573 9.889 -4.287 520 HA ALA 70 HA ALA 70 -3.981 11.173 -4.742 521 HB1 ALA 70 HB1 ALA 70 -2.807 12.656 -6.198 522 HB2 ALA 70 HB2 ALA 70 -1.565 11.449 -6.526 523 HB3 ALA 70 HB3 ALA 70 -1.680 12.182 -4.927 524 H ILE 71 HN ILE 71 -2.332 8.717 -6.536 525 HA ILE 71 HA ILE 71 -4.458 8.715 -8.572 526 HB ILE 71 HB ILE 71 -1.827 7.275 -8.777 527 HG12 ILE 71 HG12 ILE 71 -2.521 10.047 -9.776 528 HG13 ILE 71 HG11 ILE 71 -1.324 9.650 -8.547 529 HG21 ILE 71 HG21 ILE 71 -3.924 6.737 -10.196 530 HG22 ILE 71 HG22 ILE 71 -2.361 6.897 -10.995 531 HG23 ILE 71 HG23 ILE 71 -3.518 8.225 -11.052 532 HD11 ILE 71 HD11 ILE 71 -1.214 9.077 -11.490 533 HD12 ILE 71 HD12 ILE 71 -0.115 8.339 -10.325 534 HD13 ILE 71 HD13 ILE 71 -0.136 10.090 -10.530 535 H ARG 72 HN ARG 72 -2.384 6.590 -6.588 536 HA ARG 72 HA ARG 72 -3.669 4.178 -7.074 537 HB2 ARG 72 HB2 ARG 72 -1.861 5.266 -5.046 538 HB3 ARG 72 HB1 ARG 72 -2.922 4.024 -4.411 539 HG2 ARG 72 HG2 ARG 72 -2.011 2.962 -6.801 540 HG3 ARG 72 HG1 ARG 72 -0.612 3.788 -6.122 541 HD2 ARG 72 HD2 ARG 72 -0.291 2.094 -4.747 542 HD3 ARG 72 HD1 ARG 72 -1.849 2.432 -4.000 543 HE ARG 72 HE ARG 72 -2.563 0.961 -6.106 544 HH11 ARG 72 HH11 ARG 72 -0.110 0.491 -3.665 545 HH12 ARG 72 HH12 ARG 72 -0.196 -1.237 -3.732 546 HH21 ARG 72 HH21 ARG 72 -2.693 -1.315 -6.172 547 HH22 ARG 72 HH22 ARG 72 -1.652 -2.256 -5.159 548 H GLY 73 HN GLY 73 -4.239 6.551 -4.484 549 HA2 GLY 73 HA2 GLY 73 -6.910 5.339 -4.093 550 HA3 GLY 73 HA1 GLY 73 -5.959 6.017 -2.780 Start of MODEL 5 1 H1 GLN 1 HN GLN 1 -20.192 -4.160 -4.436 2 HA GLN 1 HA GLN 1 -18.750 -1.897 -5.374 3 HB2 GLN 1 HB2 GLN 1 -21.341 -2.318 -4.828 4 HB3 GLN 1 HB1 GLN 1 -20.870 -1.538 -3.324 5 HG2 GLN 1 HG2 GLN 1 -21.732 0.098 -4.862 6 HG3 GLN 1 HG1 GLN 1 -20.009 0.373 -4.604 7 HE21 GLN 1 HE21 GLN 1 -20.189 1.604 -6.599 8 HE22 GLN 1 HE22 GLN 1 -20.073 0.776 -8.111 9 H ILE 2 HN ILE 2 -16.706 -2.149 -4.315 10 HA ILE 2 HA ILE 2 -16.537 -1.996 -1.450 11 HB ILE 2 HB ILE 2 -14.078 -1.675 -1.884 12 HG12 ILE 2 HG12 ILE 2 -14.753 -2.338 -4.747 13 HG13 ILE 2 HG11 ILE 2 -14.531 -0.677 -4.204 14 HG21 ILE 2 HG21 ILE 2 -13.799 -3.914 -1.987 15 HG22 ILE 2 HG22 ILE 2 -14.813 -4.084 -3.420 16 HG23 ILE 2 HG23 ILE 2 -15.555 -3.918 -1.829 17 HD11 ILE 2 HD11 ILE 2 -12.424 -1.094 -4.897 18 HD12 ILE 2 HD12 ILE 2 -12.550 -2.828 -4.603 19 HD13 ILE 2 HD13 ILE 2 -12.275 -1.723 -3.257 20 H PHE 3 HN PHE 3 -14.995 -0.268 -0.513 21 HA PHE 3 HA PHE 3 -16.165 2.307 -1.130 22 HB2 PHE 3 HB2 PHE 3 -15.116 1.071 1.181 23 HB3 PHE 3 HB1 PHE 3 -14.073 2.449 0.846 24 HD1 PHE 3 HD1 PHE 3 -16.346 1.730 3.033 25 HD2 PHE 3 HD2 PHE 3 -16.016 4.359 -0.298 26 HE1 PHE 3 HE1 PHE 3 -18.010 3.227 4.054 27 HE2 PHE 3 HE2 PHE 3 -17.678 5.861 0.718 28 HZ PHE 3 HZ PHE 3 -18.677 5.296 2.897 29 H ASP 4 HN ASP 4 -14.069 4.017 -0.418 30 HA ASP 4 HA ASP 4 -12.823 4.462 -2.868 31 HB2 ASP 4 HB2 ASP 4 -12.896 5.712 -0.309 32 HB3 ASP 4 HB1 ASP 4 -11.209 5.592 -0.799 33 H SER 5 HN SER 5 -10.151 4.947 -2.388 34 HA SER 5 HA SER 5 -8.721 2.806 -1.266 35 HB2 SER 5 HB2 SER 5 -9.365 1.282 -2.878 36 HB3 SER 5 HB1 SER 5 -9.546 2.517 -4.124 37 HG SER 5 HG SER 5 -7.695 1.107 -4.379 38 H SER 6 HN SER 6 -6.840 3.739 -0.781 39 HA SER 6 HA SER 6 -5.957 6.073 -2.215 40 HB2 SER 6 HB2 SER 6 -5.030 4.645 0.251 41 HB3 SER 6 HB1 SER 6 -3.966 5.810 -0.530 42 HG SER 6 HG SER 6 -5.808 7.295 -0.378 43 H CYS 7 HN CYS 7 -5.655 2.936 -2.949 44 HA CYS 7 HA CYS 7 -3.112 3.585 -4.268 45 HB2 CYS 7 HB2 CYS 7 -3.454 0.856 -4.617 46 HB3 CYS 7 HB1 CYS 7 -2.386 1.614 -3.447 47 H LYS 8 HN LYS 8 -3.170 3.675 -6.447 48 HA LYS 8 HA LYS 8 -5.621 2.732 -7.783 49 HB2 LYS 8 HB2 LYS 8 -5.678 5.194 -7.474 50 HB3 LYS 8 HB1 LYS 8 -4.187 5.322 -8.398 51 HG2 LYS 8 HG2 LYS 8 -5.371 4.287 -10.324 52 HG3 LYS 8 HG1 LYS 8 -6.862 4.357 -9.381 53 HD2 LYS 8 HD2 LYS 8 -6.242 6.877 -9.116 54 HD3 LYS 8 HD1 LYS 8 -5.241 6.585 -10.540 55 HE2 LYS 8 HE2 LYS 8 -7.549 5.431 -11.325 56 HE3 LYS 8 HE1 LYS 8 -8.174 6.698 -10.269 57 HZ1 LYS 8 HZ1 LYS 8 -7.587 7.073 -12.836 58 HZ2 LYS 8 HZ2 LYS 8 -6.113 7.521 -12.139 59 HZ3 LYS 8 HZ3 LYS 8 -7.537 8.309 -11.681 60 H GLY 9 HN GLY 9 -5.409 1.906 -9.808 61 HA2 GLY 9 HA2 GLY 9 -3.254 0.430 -10.509 62 HA3 GLY 9 HA1 GLY 9 -4.390 1.062 -11.682 63 H VAL 10 HN VAL 10 -3.475 3.884 -10.901 64 HA VAL 10 HA VAL 10 -1.538 4.019 -12.931 65 HB VAL 10 HB VAL 10 -2.356 6.263 -11.127 66 HG11 VAL 10 HG11 VAL 10 -1.096 6.224 -13.865 67 HG12 VAL 10 HG12 VAL 10 -0.375 6.811 -12.367 68 HG13 VAL 10 HG13 VAL 10 -1.738 7.669 -13.085 69 HG21 VAL 10 HG21 VAL 10 -4.172 6.726 -12.485 70 HG22 VAL 10 HG22 VAL 10 -4.193 4.964 -12.422 71 HG23 VAL 10 HG23 VAL 10 -3.534 5.788 -13.835 72 H TYR 11 HN TYR 11 -1.218 4.938 -9.524 73 HA TYR 11 HA TYR 11 1.652 5.025 -9.960 74 HB2 TYR 11 HB2 TYR 11 0.052 6.402 -8.158 75 HB3 TYR 11 HB1 TYR 11 0.846 5.186 -7.167 76 HD1 TYR 11 HD1 TYR 11 1.618 7.785 -9.729 77 HD2 TYR 11 HD2 TYR 11 3.005 5.521 -6.409 78 HE1 TYR 11 HE1 TYR 11 3.690 9.104 -9.705 79 HE2 TYR 11 HE2 TYR 11 5.083 6.835 -6.373 80 HH TYR 11 HH TYR 11 6.426 8.200 -7.917 81 H ASP 12 HN ASP 12 -0.863 3.035 -9.178 82 HA ASP 12 HA ASP 12 0.452 1.033 -7.615 83 HB2 ASP 12 HB2 ASP 12 -1.987 1.279 -7.815 84 HB3 ASP 12 HB1 ASP 12 -1.852 0.884 -9.518 85 H ARG 13 HN ARG 13 0.520 2.106 -10.817 86 HA ARG 13 HA ARG 13 1.235 -0.301 -12.071 87 HB2 ARG 13 HB2 ARG 13 0.326 1.791 -13.211 88 HB3 ARG 13 HB1 ARG 13 1.941 2.463 -13.034 89 HG2 ARG 13 HG2 ARG 13 2.784 1.224 -14.706 90 HG3 ARG 13 HG1 ARG 13 1.825 -0.196 -14.280 91 HD2 ARG 13 HD2 ARG 13 1.067 0.552 -16.407 92 HD3 ARG 13 HD1 ARG 13 -0.172 0.986 -15.230 93 HE ARG 13 HE ARG 13 1.462 3.189 -15.437 94 HH11 ARG 13 HH11 ARG 13 -0.526 1.313 -17.607 95 HH12 ARG 13 HH12 ARG 13 -0.876 2.654 -18.645 96 HH21 ARG 13 HH21 ARG 13 1.003 4.953 -16.800 97 HH22 ARG 13 HH22 ARG 13 -0.007 4.721 -18.188 98 H ALA 14 HN ALA 14 2.832 2.458 -10.726 99 HA ALA 14 HA ALA 14 5.515 1.418 -11.167 100 HB1 ALA 14 HB1 ALA 14 6.303 3.437 -10.177 101 HB2 ALA 14 HB2 ALA 14 4.726 3.778 -9.465 102 HB3 ALA 14 HB3 ALA 14 4.943 3.872 -11.212 103 H ILE 15 HN ILE 15 3.106 1.519 -8.710 104 HA ILE 15 HA ILE 15 4.743 0.758 -6.537 105 HB ILE 15 HB ILE 15 1.811 1.027 -7.003 106 HG12 ILE 15 HG12 ILE 15 1.966 2.946 -5.844 107 HG13 ILE 15 HG11 ILE 15 2.968 2.218 -4.600 108 HG21 ILE 15 HG21 ILE 15 2.094 0.442 -4.286 109 HG22 ILE 15 HG22 ILE 15 2.948 -0.828 -5.155 110 HG23 ILE 15 HG23 ILE 15 1.258 -0.503 -5.518 111 HD11 ILE 15 HD11 ILE 15 4.944 2.563 -5.955 112 HD12 ILE 15 HD12 ILE 15 4.072 4.077 -5.747 113 HD13 ILE 15 HD13 ILE 15 3.956 3.197 -7.269 114 H PHE 16 HN PHE 16 2.437 -0.873 -8.666 115 HA PHE 16 HA PHE 16 2.308 -3.369 -7.633 116 HB2 PHE 16 HB2 PHE 16 1.130 -2.732 -9.678 117 HB3 PHE 16 HB1 PHE 16 2.656 -2.698 -10.556 118 HD1 PHE 16 HD1 PHE 16 3.888 -4.823 -10.947 119 HD2 PHE 16 HD2 PHE 16 -0.034 -4.745 -9.298 120 HE1 PHE 16 HE1 PHE 16 3.614 -7.206 -11.496 121 HE2 PHE 16 HE2 PHE 16 -0.316 -7.127 -9.843 122 HZ PHE 16 HZ PHE 16 1.511 -8.361 -10.943 123 H ASN 17 HN ASN 17 4.860 -2.124 -9.720 124 HA ASN 17 HA ASN 17 6.411 -4.536 -9.400 125 HB2 ASN 17 HB2 ASN 17 6.336 -2.364 -11.246 126 HB3 ASN 17 HB1 ASN 17 7.966 -2.475 -10.589 127 HD21 ASN 17 HD21 ASN 17 5.960 -3.543 -12.962 128 HD22 ASN 17 HD22 ASN 17 6.788 -4.991 -13.410 129 H GLU 18 HN GLU 18 6.340 -1.343 -7.920 130 HA GLU 18 HA GLU 18 8.956 -1.726 -6.785 131 HB2 GLU 18 HB2 GLU 18 7.047 0.605 -6.732 132 HB3 GLU 18 HB1 GLU 18 8.600 0.583 -5.908 133 HG2 GLU 18 HG2 GLU 18 8.696 -0.118 -8.756 134 HG3 GLU 18 HG1 GLU 18 8.194 1.535 -8.404 135 H LEU 19 HN LEU 19 5.760 -0.741 -5.598 136 HA LEU 19 HA LEU 19 6.599 -1.488 -3.009 137 HB2 LEU 19 HB2 LEU 19 3.965 -0.363 -3.802 138 HB3 LEU 19 HB1 LEU 19 4.706 -0.304 -2.215 139 HG LEU 19 HG LEU 19 5.486 1.217 -4.693 140 HD11 LEU 19 HD11 LEU 19 3.720 1.849 -2.721 141 HD12 LEU 19 HD12 LEU 19 4.598 3.024 -3.701 142 HD13 LEU 19 HD13 LEU 19 5.205 2.575 -2.107 143 HD21 LEU 19 HD21 LEU 19 7.426 2.037 -3.588 144 HD22 LEU 19 HD22 LEU 19 7.485 0.278 -3.494 145 HD23 LEU 19 HD23 LEU 19 6.997 1.220 -2.085 146 H GLU 20 HN GLU 20 3.982 -2.353 -5.179 147 HA GLU 20 HA GLU 20 2.580 -3.971 -3.647 148 HB2 GLU 20 HB2 GLU 20 1.951 -3.585 -5.937 149 HB3 GLU 20 HB1 GLU 20 3.292 -4.573 -6.489 150 HG2 GLU 20 HG2 GLU 20 1.559 -5.993 -4.653 151 HG3 GLU 20 HG1 GLU 20 0.705 -5.408 -6.080 152 H HIS 21 HN HIS 21 5.694 -4.782 -5.044 153 HA HIS 21 HA HIS 21 5.702 -7.523 -4.328 154 HB2 HIS 21 HB2 HIS 21 7.916 -5.527 -4.774 155 HB3 HIS 21 HB1 HIS 21 8.248 -7.175 -4.252 156 HD1 HIS 21 HD1 HIS 21 5.442 -6.929 -6.596 157 HD2 HIS 21 HD2 HIS 21 9.564 -7.393 -6.824 158 HE1 HIS 21 HE1 HIS 21 5.900 -7.730 -8.935 159 HE2 HIS 21 HE2 HIS 21 8.391 -8.092 -9.020 160 H VAL 22 HN VAL 22 6.737 -4.555 -2.731 161 HA VAL 22 HA VAL 22 7.745 -5.646 -0.359 162 HB VAL 22 HB VAL 22 6.162 -3.077 -0.580 163 HG11 VAL 22 HG11 VAL 22 6.470 -3.207 1.656 164 HG12 VAL 22 HG12 VAL 22 8.072 -2.593 1.247 165 HG13 VAL 22 HG13 VAL 22 7.831 -4.320 1.514 166 HG21 VAL 22 HG21 VAL 22 8.360 -3.652 -2.070 167 HG22 VAL 22 HG22 VAL 22 9.095 -2.941 -0.634 168 HG23 VAL 22 HG23 VAL 22 7.898 -2.030 -1.555 169 H CYS 23 HN CYS 23 4.493 -5.096 -1.497 170 HA CYS 23 HA CYS 23 3.156 -5.638 0.966 171 HB2 CYS 23 HB2 CYS 23 1.635 -4.602 -0.363 172 HB3 CYS 23 HB1 CYS 23 2.425 -5.135 -1.836 173 H ASN 24 HN ASN 24 3.897 -7.501 -1.968 174 HA ASN 24 HA ASN 24 2.780 -9.942 -1.289 175 HB2 ASN 24 HB2 ASN 24 3.954 -9.332 -3.463 176 HB3 ASN 24 HB1 ASN 24 5.476 -9.635 -2.631 177 HD21 ASN 24 HD21 ASN 24 3.083 -10.967 -4.501 178 HD22 ASN 24 HD22 ASN 24 3.426 -12.639 -4.235 179 H ASP 25 HN ASP 25 5.734 -8.386 -0.261 180 HA ASP 25 HA ASP 25 6.615 -10.653 1.326 181 HB2 ASP 25 HB2 ASP 25 7.938 -8.532 0.224 182 HB3 ASP 25 HB1 ASP 25 7.770 -7.993 1.892 183 H CYS 26 HN CYS 26 5.051 -7.547 1.779 184 HA CYS 26 HA CYS 26 4.995 -7.355 4.551 185 HB2 CYS 26 HB2 CYS 26 4.167 -5.778 2.582 186 HB3 CYS 26 HB1 CYS 26 2.616 -6.518 2.947 187 H TYR 27 HN TYR 27 2.869 -9.080 2.328 188 HA TYR 27 HA TYR 27 1.092 -9.944 4.440 189 HB2 TYR 27 HB2 TYR 27 0.231 -9.417 2.191 190 HB3 TYR 27 HB1 TYR 27 1.184 -10.738 1.524 191 HD1 TYR 27 HD1 TYR 27 -0.045 -12.604 0.994 192 HD2 TYR 27 HD2 TYR 27 -1.199 -10.301 4.380 193 HE1 TYR 27 HE1 TYR 27 -1.905 -14.158 1.409 194 HE2 TYR 27 HE2 TYR 27 -3.062 -11.849 4.805 195 HH TYR 27 HH TYR 27 -3.749 -14.086 4.313 196 H ASN 28 HN ASN 28 4.107 -10.872 3.790 197 HA ASN 28 HA ASN 28 4.008 -13.647 3.430 198 HB2 ASN 28 HB2 ASN 28 6.046 -12.129 3.291 199 HB3 ASN 28 HB1 ASN 28 6.106 -12.205 5.050 200 HD21 ASN 28 HD21 ASN 28 7.412 -13.676 5.835 201 HD22 ASN 28 HD22 ASN 28 7.870 -15.154 5.066 202 H LEU 29 HN LEU 29 4.008 -11.692 6.384 203 HA LEU 29 HA LEU 29 3.300 -14.118 7.899 204 HB2 LEU 29 HB2 LEU 29 5.093 -11.855 8.486 205 HB3 LEU 29 HB1 LEU 29 4.050 -12.333 9.813 206 HG LEU 29 HG LEU 29 4.923 -14.714 9.406 207 HD11 LEU 29 HD11 LEU 29 7.150 -13.208 8.051 208 HD12 LEU 29 HD12 LEU 29 5.925 -14.139 7.189 209 HD13 LEU 29 HD13 LEU 29 7.023 -14.948 8.307 210 HD21 LEU 29 HD21 LEU 29 5.702 -13.927 11.378 211 HD22 LEU 29 HD22 LEU 29 6.277 -12.416 10.676 212 HD23 LEU 29 HD23 LEU 29 7.227 -13.890 10.493 213 H TYR 30 HN TYR 30 1.099 -13.580 7.042 214 HA TYR 30 HA TYR 30 -0.370 -12.168 9.073 215 HB2 TYR 30 HB2 TYR 30 -0.028 -11.036 6.329 216 HB3 TYR 30 HB1 TYR 30 -1.583 -10.847 7.133 217 HD1 TYR 30 HD1 TYR 30 -0.874 -10.374 9.904 218 HD2 TYR 30 HD2 TYR 30 1.027 -8.974 6.364 219 HE1 TYR 30 HE1 TYR 30 0.002 -8.440 11.145 220 HE2 TYR 30 HE2 TYR 30 1.908 -7.037 7.596 221 HH TYR 30 HH TYR 30 2.425 -6.410 9.916 222 H ARG 31 HN ARG 31 -2.558 -12.704 9.116 223 HA ARG 31 HA ARG 31 -3.389 -14.759 7.177 224 HB2 ARG 31 HB2 ARG 31 -4.761 -15.679 9.156 225 HB3 ARG 31 HB1 ARG 31 -3.036 -16.010 9.109 226 HG2 ARG 31 HG2 ARG 31 -3.374 -15.418 11.309 227 HG3 ARG 31 HG1 ARG 31 -2.836 -13.899 10.594 228 HD2 ARG 31 HD2 ARG 31 -4.672 -12.984 11.465 229 HD3 ARG 31 HD1 ARG 31 -5.578 -13.862 10.233 230 HE ARG 31 HE ARG 31 -6.460 -15.115 11.909 231 HH11 ARG 31 HH11 ARG 31 -3.366 -13.912 12.985 232 HH12 ARG 31 HH12 ARG 31 -3.504 -14.608 14.564 233 HH21 ARG 31 HH21 ARG 31 -6.644 -16.031 13.987 234 HH22 ARG 31 HH22 ARG 31 -5.365 -15.809 15.134 235 H THR 32 HN THR 32 -4.166 -11.819 8.752 236 HA THR 32 HA THR 32 -7.012 -12.016 8.337 237 HB THR 32 HB THR 32 -6.597 -9.382 8.823 238 HG1 THR 32 HG1 THR 32 -4.871 -9.271 10.322 239 HG21 THR 32 HG21 THR 32 -8.021 -10.610 10.243 240 HG22 THR 32 HG22 THR 32 -6.756 -9.932 11.268 241 HG23 THR 32 HG23 THR 32 -6.698 -11.632 10.805 242 H SER 33 HN SER 33 -8.229 -10.633 6.947 243 HA SER 33 HA SER 33 -7.054 -10.376 4.346 244 HB2 SER 33 HB2 SER 33 -9.717 -9.180 4.950 245 HB3 SER 33 HB1 SER 33 -9.201 -10.134 3.560 246 HG SER 33 HG SER 33 -9.085 -11.929 5.152 247 H HIS 34 HN HIS 34 -7.100 -8.364 7.034 248 HA HIS 34 HA HIS 34 -7.488 -5.836 5.870 249 HB2 HIS 34 HB2 HIS 34 -6.301 -6.865 8.387 250 HB3 HIS 34 HB1 HIS 34 -5.826 -5.241 7.901 251 HD1 HIS 34 HD1 HIS 34 -8.631 -4.422 6.711 252 HD2 HIS 34 HD2 HIS 34 -7.978 -6.129 10.443 253 HE1 HIS 34 HE1 HIS 34 -10.615 -3.763 8.108 254 HE2 HIS 34 HE2 HIS 34 -10.168 -4.754 10.381 255 H VAL 35 HN VAL 35 -4.791 -8.001 5.857 256 HA VAL 35 HA VAL 35 -2.904 -5.988 4.987 257 HB VAL 35 HB VAL 35 -2.542 -8.987 5.028 258 HG11 VAL 35 HG11 VAL 35 -0.980 -7.535 3.654 259 HG12 VAL 35 HG12 VAL 35 -0.228 -8.574 4.863 260 HG13 VAL 35 HG13 VAL 35 -0.430 -6.852 5.185 261 HG21 VAL 35 HG21 VAL 35 -3.008 -7.399 7.229 262 HG22 VAL 35 HG22 VAL 35 -1.248 -7.470 7.152 263 HG23 VAL 35 HG23 VAL 35 -2.188 -8.960 7.235 264 H ALA 36 HN ALA 36 -4.742 -8.674 3.642 265 HA ALA 36 HA ALA 36 -3.634 -8.419 1.003 266 HB1 ALA 36 HB1 ALA 36 -4.893 -10.433 2.242 267 HB2 ALA 36 HB2 ALA 36 -4.820 -10.282 0.487 268 HB3 ALA 36 HB3 ALA 36 -6.255 -9.744 1.359 269 H SER 37 HN SER 37 -6.908 -7.829 2.304 270 HA SER 37 HA SER 37 -7.841 -6.432 0.039 271 HB2 SER 37 HB2 SER 37 -9.445 -7.341 1.582 272 HB3 SER 37 HB1 SER 37 -8.761 -6.420 2.921 273 HG SER 37 HG SER 37 -9.870 -5.185 0.630 274 H GLY 38 HN GLY 38 -5.666 -5.559 2.482 275 HA2 GLY 38 HA2 GLY 38 -5.950 -2.701 1.820 276 HA3 GLY 38 HA1 GLY 38 -5.382 -3.288 3.379 277 H CYS 39 HN CYS 39 -4.389 -5.001 0.604 278 HA CYS 39 HA CYS 39 -1.638 -4.173 0.976 279 HB2 CYS 39 HB2 CYS 39 -2.808 -6.629 0.383 280 HB3 CYS 39 HB1 CYS 39 -2.083 -6.123 -1.138 281 H ARG 40 HN ARG 40 -4.033 -4.435 -1.649 282 HA ARG 40 HA ARG 40 -2.483 -2.383 -3.074 283 HB2 ARG 40 HB2 ARG 40 -3.793 -3.732 -5.079 284 HB3 ARG 40 HB1 ARG 40 -2.080 -3.765 -4.703 285 HG2 ARG 40 HG2 ARG 40 -2.893 -5.656 -3.009 286 HG3 ARG 40 HG1 ARG 40 -4.173 -5.803 -4.215 287 HD2 ARG 40 HD2 ARG 40 -2.631 -6.290 -5.931 288 HD3 ARG 40 HD1 ARG 40 -1.261 -5.764 -4.955 289 HE ARG 40 HE ARG 40 -1.216 -7.826 -3.950 290 HH11 ARG 40 HH11 ARG 40 -4.201 -7.478 -5.725 291 HH12 ARG 40 HH12 ARG 40 -4.653 -9.139 -5.535 292 HH21 ARG 40 HH21 ARG 40 -1.810 -10.010 -3.696 293 HH22 ARG 40 HH22 ARG 40 -3.296 -10.577 -4.380 294 H VAL 41 HN VAL 41 -5.201 -2.582 -1.463 295 HA VAL 41 HA VAL 41 -6.411 -0.521 -3.101 296 HB VAL 41 HB VAL 41 -8.108 -2.816 -2.121 297 HG11 VAL 41 HG11 VAL 41 -9.903 -1.771 -3.337 298 HG12 VAL 41 HG12 VAL 41 -8.813 -0.528 -3.952 299 HG13 VAL 41 HG13 VAL 41 -9.196 -0.592 -2.232 300 HG21 VAL 41 HG21 VAL 41 -6.977 -3.788 -3.894 301 HG22 VAL 41 HG22 VAL 41 -6.876 -2.273 -4.792 302 HG23 VAL 41 HG23 VAL 41 -8.414 -3.130 -4.678 303 H ASN 42 HN ASN 42 -7.339 1.094 -1.802 304 HA ASN 42 HA ASN 42 -7.497 2.321 0.147 305 HB2 ASN 42 HB2 ASN 42 -8.839 1.138 1.994 306 HB3 ASN 42 HB1 ASN 42 -9.652 1.393 0.455 307 HD21 ASN 42 HD21 ASN 42 -10.412 -0.313 -0.637 308 HD22 ASN 42 HD22 ASN 42 -10.215 -1.959 -0.153 309 H CYS 43 HN CYS 43 -5.519 0.232 -0.436 310 HA CYS 43 HA CYS 43 -4.355 -0.705 1.979 311 HB2 CYS 43 HB2 CYS 43 -2.904 -1.849 0.485 312 HB3 CYS 43 HB1 CYS 43 -4.480 -1.881 -0.276 313 H PHE 44 HN PHE 44 -3.663 1.516 -0.605 314 HA PHE 44 HA PHE 44 -1.165 1.901 -0.303 315 HB2 PHE 44 HB2 PHE 44 -2.820 3.173 -1.816 316 HB3 PHE 44 HB1 PHE 44 -2.657 4.441 -0.599 317 HD1 PHE 44 HD1 PHE 44 -0.193 2.019 -1.956 318 HD2 PHE 44 HD2 PHE 44 -1.304 6.099 -1.501 319 HE1 PHE 44 HE1 PHE 44 1.946 2.701 -2.945 320 HE2 PHE 44 HE2 PHE 44 0.841 6.784 -2.493 321 HZ PHE 44 HZ PHE 44 2.464 5.086 -3.218 322 H GLU 45 HN GLU 45 -3.203 4.323 1.334 323 HA GLU 45 HA GLU 45 -0.991 4.966 3.073 324 HB2 GLU 45 HB2 GLU 45 -3.037 6.424 2.022 325 HB3 GLU 45 HB1 GLU 45 -3.590 6.181 3.674 326 HG2 GLU 45 HG2 GLU 45 -0.895 6.891 3.881 327 HG3 GLU 45 HG1 GLU 45 -1.580 7.961 2.660 328 H ASN 46 HN ASN 46 -4.374 4.131 3.731 329 HA ASN 46 HA ASN 46 -4.313 3.923 6.407 330 HB2 ASN 46 HB2 ASN 46 -6.074 3.160 4.411 331 HB3 ASN 46 HB1 ASN 46 -5.794 1.676 5.315 332 HD21 ASN 46 HD21 ASN 46 -6.660 1.443 7.302 333 HD22 ASN 46 HD22 ASN 46 -7.651 2.628 8.074 334 H HIS 47 HN HIS 47 -3.832 0.950 4.418 335 HA HIS 47 HA HIS 47 -2.515 -0.158 6.795 336 HB2 HIS 47 HB2 HIS 47 -3.610 -1.708 4.470 337 HB3 HIS 47 HB1 HIS 47 -3.140 -2.321 6.050 338 HD1 HIS 47 HD1 HIS 47 -5.810 -0.193 4.424 339 HD2 HIS 47 HD2 HIS 47 -5.124 -2.297 7.941 340 HE1 HIS 47 HE1 HIS 47 -8.001 -0.176 5.656 341 HE2 HIS 47 HE2 HIS 47 -7.593 -1.559 7.721 342 H VAL 48 HN VAL 48 -2.098 -0.435 3.225 343 HA VAL 48 HA VAL 48 0.294 -1.830 3.585 344 HB VAL 48 HB VAL 48 -1.247 -1.671 1.454 345 HG11 VAL 48 HG11 VAL 48 -0.818 -0.069 -0.078 346 HG12 VAL 48 HG12 VAL 48 0.909 -0.050 0.265 347 HG13 VAL 48 HG13 VAL 48 -0.204 0.839 1.300 348 HG21 VAL 48 HG21 VAL 48 0.798 -2.404 0.093 349 HG22 VAL 48 HG22 VAL 48 0.404 -3.319 1.548 350 HG23 VAL 48 HG23 VAL 48 1.718 -2.143 1.574 351 H PHE 49 HN PHE 49 -0.222 1.465 3.976 352 HA PHE 49 HA PHE 49 2.663 1.877 3.669 353 HB2 PHE 49 HB2 PHE 49 0.401 3.739 3.212 354 HB3 PHE 49 HB1 PHE 49 1.867 4.407 3.907 355 HD1 PHE 49 HD1 PHE 49 2.062 1.566 1.615 356 HD2 PHE 49 HD2 PHE 49 2.250 5.805 1.965 357 HE1 PHE 49 HE1 PHE 49 3.100 1.693 -0.618 358 HE2 PHE 49 HE2 PHE 49 3.286 5.939 -0.261 359 HZ PHE 49 HZ PHE 49 3.713 3.892 -1.548 360 H ASP 50 HN ASP 50 0.044 1.688 5.825 361 HA ASP 50 HA ASP 50 1.334 3.116 7.965 362 HB2 ASP 50 HB2 ASP 50 -1.161 2.977 7.637 363 HB3 ASP 50 HB1 ASP 50 -1.034 1.261 8.033 364 H ASP 51 HN ASP 51 0.621 -0.143 6.860 365 HA ASP 51 HA ASP 51 1.881 -1.251 9.177 366 HB2 ASP 51 HB2 ASP 51 -0.190 -2.151 7.845 367 HB3 ASP 51 HB1 ASP 51 1.048 -2.947 6.879 368 H CYS 52 HN CYS 52 2.366 -1.485 5.716 369 HA CYS 52 HA CYS 52 4.791 -2.932 5.925 370 HB2 CYS 52 HB2 CYS 52 3.886 -1.277 3.575 371 HB3 CYS 52 HB1 CYS 52 5.027 -2.616 3.553 372 H VAL 53 HN VAL 53 4.347 0.432 4.812 373 HA VAL 53 HA VAL 53 7.049 1.088 4.822 374 HB VAL 53 HB VAL 53 5.043 3.181 5.606 375 HG11 VAL 53 HG11 VAL 53 7.178 3.407 3.534 376 HG12 VAL 53 HG12 VAL 53 7.586 3.480 5.246 377 HG13 VAL 53 HG13 VAL 53 6.468 4.655 4.559 378 HG21 VAL 53 HG21 VAL 53 4.058 3.297 3.535 379 HG22 VAL 53 HG22 VAL 53 4.259 1.554 3.688 380 HG23 VAL 53 HG23 VAL 53 5.402 2.489 2.730 381 H TYR 54 HN TYR 54 4.907 0.616 7.484 382 HA TYR 54 HA TYR 54 6.181 2.237 9.358 383 HB2 TYR 54 HB2 TYR 54 4.096 0.299 9.390 384 HB3 TYR 54 HB1 TYR 54 5.193 -0.034 10.723 385 HD1 TYR 54 HD1 TYR 54 4.219 3.241 9.241 386 HD2 TYR 54 HD2 TYR 54 4.052 0.675 12.631 387 HE1 TYR 54 HE1 TYR 54 3.181 5.046 10.549 388 HE2 TYR 54 HE2 TYR 54 3.012 2.473 13.948 389 HH TYR 54 HH TYR 54 2.890 5.709 12.868 390 H GLU 55 HN GLU 55 7.018 -0.932 8.192 391 HA GLU 55 HA GLU 55 9.476 -0.713 9.767 392 HB2 GLU 55 HB2 GLU 55 8.005 -3.332 9.652 393 HB3 GLU 55 HB1 GLU 55 9.347 -2.878 10.692 394 HG2 GLU 55 HG2 GLU 55 7.969 -1.487 12.018 395 HG3 GLU 55 HG1 GLU 55 6.642 -1.584 10.860 396 H LEU 56 HN LEU 56 8.093 -1.227 6.794 397 HA LEU 56 HA LEU 56 10.226 -3.069 5.944 398 HB2 LEU 56 HB2 LEU 56 7.987 -2.085 4.208 399 HB3 LEU 56 HB1 LEU 56 9.009 -3.486 3.966 400 HG LEU 56 HG LEU 56 6.602 -3.163 5.646 401 HD11 LEU 56 HD11 LEU 56 6.229 -5.472 4.908 402 HD12 LEU 56 HD12 LEU 56 7.793 -5.448 4.092 403 HD13 LEU 56 HD13 LEU 56 6.501 -4.372 3.556 404 HD21 LEU 56 HD21 LEU 56 7.846 -3.746 7.483 405 HD22 LEU 56 HD22 LEU 56 9.041 -4.624 6.529 406 HD23 LEU 56 HD23 LEU 56 7.461 -5.343 6.841 407 H LEU 57 HN LEU 57 8.692 -0.212 4.464 408 HA LEU 57 HA LEU 57 11.126 0.305 2.988 409 HB2 LEU 57 HB2 LEU 57 8.479 1.742 3.000 410 HB3 LEU 57 HB1 LEU 57 9.812 2.104 1.921 411 HG LEU 57 HG LEU 57 8.613 -0.646 1.994 412 HD11 LEU 57 HD11 LEU 57 6.661 0.353 1.438 413 HD12 LEU 57 HD12 LEU 57 7.418 0.400 -0.154 414 HD13 LEU 57 HD13 LEU 57 7.446 1.830 0.878 415 HD21 LEU 57 HD21 LEU 57 10.443 -0.820 0.671 416 HD22 LEU 57 HD22 LEU 57 10.454 0.897 0.268 417 HD23 LEU 57 HD23 LEU 57 9.327 -0.192 -0.542 418 H LEU 58 HN LEU 58 9.020 2.391 4.946 419 HA LEU 58 HA LEU 58 11.315 3.562 6.275 420 HB2 LEU 58 HB2 LEU 58 9.663 5.676 5.090 421 HB3 LEU 58 HB1 LEU 58 11.401 5.581 5.279 422 HG LEU 58 HG LEU 58 10.998 3.791 3.258 423 HD11 LEU 58 HD11 LEU 58 9.161 4.154 2.064 424 HD12 LEU 58 HD12 LEU 58 9.368 5.904 2.139 425 HD13 LEU 58 HD13 LEU 58 8.551 5.056 3.451 426 HD21 LEU 58 HD21 LEU 58 11.250 6.615 2.443 427 HD22 LEU 58 HD22 LEU 58 12.259 5.222 2.049 428 HD23 LEU 58 HD23 LEU 58 12.428 6.019 3.613 429 H HIS 59 HN HIS 59 10.403 2.944 8.178 430 HA HIS 59 HA HIS 59 7.854 3.008 9.069 431 HB2 HIS 59 HB2 HIS 59 8.704 2.993 11.283 432 HB3 HIS 59 HB1 HIS 59 9.895 2.182 10.270 433 HD1 HIS 59 HD1 HIS 59 10.284 3.807 13.082 434 HD2 HIS 59 HD2 HIS 59 11.436 4.968 9.262 435 HE1 HIS 59 HE1 HIS 59 12.143 5.467 13.416 436 HE2 HIS 59 HE2 HIS 59 12.754 6.231 11.094 437 H ASN 60 HN ASN 60 9.699 5.836 8.345 438 HA ASN 60 HA ASN 60 7.529 7.471 9.430 439 HB2 ASN 60 HB2 ASN 60 10.004 7.437 10.578 440 HB3 ASN 60 HB1 ASN 60 10.185 8.745 9.413 441 HD21 ASN 60 HD21 ASN 60 8.362 7.602 12.169 442 HD22 ASN 60 HD22 ASN 60 7.753 9.145 12.649 443 HA PRO 61 HA PRO 61 9.684 9.723 5.713 444 HB2 PRO 61 HB2 PRO 61 10.990 7.424 4.390 445 HB3 PRO 61 HB1 PRO 61 11.563 9.082 4.586 446 HG2 PRO 61 HG2 PRO 61 12.593 7.107 6.044 447 HG3 PRO 61 HG1 PRO 61 12.306 8.709 6.752 448 HD2 PRO 61 HD2 PRO 61 10.699 6.202 7.020 449 HD3 PRO 61 HD1 PRO 61 11.110 7.410 8.253 450 H GLU 62 HN GLU 62 7.176 8.874 5.824 451 HA GLU 62 HA GLU 62 6.528 7.355 3.441 452 HB2 GLU 62 HB2 GLU 62 5.328 7.205 5.748 453 HB3 GLU 62 HB1 GLU 62 4.533 8.693 5.255 454 HG2 GLU 62 HG2 GLU 62 3.827 7.453 3.161 455 HG3 GLU 62 HG1 GLU 62 4.362 5.983 3.976 456 H GLU 63 HN GLU 63 7.455 10.383 4.107 457 HA GLU 63 HA GLU 63 5.792 12.277 3.145 458 HB2 GLU 63 HB2 GLU 63 8.496 12.073 3.628 459 HB3 GLU 63 HB1 GLU 63 8.424 12.508 1.931 460 HG2 GLU 63 HG2 GLU 63 8.524 14.563 2.965 461 HG3 GLU 63 HG1 GLU 63 6.793 14.351 2.707 462 H VAL 64 HN VAL 64 8.261 11.046 0.884 463 HA VAL 64 HA VAL 64 6.801 11.810 -1.397 464 HB VAL 64 HB VAL 64 8.330 10.160 -2.608 465 HG11 VAL 64 HG11 VAL 64 9.055 12.644 -1.179 466 HG12 VAL 64 HG12 VAL 64 9.098 12.270 -2.902 467 HG13 VAL 64 HG13 VAL 64 10.391 11.705 -1.845 468 HG21 VAL 64 HG21 VAL 64 8.746 9.103 -0.156 469 HG22 VAL 64 HG22 VAL 64 10.137 10.180 -0.279 470 HG23 VAL 64 HG23 VAL 64 9.873 8.938 -1.502 471 H LEU 65 HN LEU 65 6.260 9.339 0.771 472 HA LEU 65 HA LEU 65 5.188 7.442 -1.140 473 HB2 LEU 65 HB2 LEU 65 5.718 7.506 1.736 474 HB3 LEU 65 HB1 LEU 65 4.183 6.760 1.347 475 HG LEU 65 HG LEU 65 5.434 5.254 -0.244 476 HD11 LEU 65 HD11 LEU 65 7.945 5.125 0.652 477 HD12 LEU 65 HD12 LEU 65 7.670 6.857 0.836 478 HD13 LEU 65 HD13 LEU 65 7.474 6.095 -0.743 479 HD21 LEU 65 HD21 LEU 65 5.781 5.247 2.720 480 HD22 LEU 65 HD22 LEU 65 6.566 4.003 1.745 481 HD23 LEU 65 HD23 LEU 65 4.812 4.185 1.698 482 H LEU 66 HN LEU 66 4.341 10.207 0.600 483 HA LEU 66 HA LEU 66 1.536 9.861 0.537 484 HB2 LEU 66 HB2 LEU 66 3.141 11.450 1.999 485 HB3 LEU 66 HB1 LEU 66 2.683 12.581 0.739 486 HG LEU 66 HG LEU 66 0.635 11.052 2.327 487 HD11 LEU 66 HD11 LEU 66 1.219 13.876 2.991 488 HD12 LEU 66 HD12 LEU 66 2.350 12.659 3.584 489 HD13 LEU 66 HD13 LEU 66 0.643 12.562 4.017 490 HD21 LEU 66 HD21 LEU 66 0.463 13.661 0.828 491 HD22 LEU 66 HD22 LEU 66 -0.865 12.772 1.574 492 HD23 LEU 66 HD23 LEU 66 -0.027 12.098 0.176 493 H MET 67 HN MET 67 4.031 11.339 -1.407 494 HA MET 67 HA MET 67 2.375 12.746 -3.223 495 HB2 MET 67 HB2 MET 67 4.844 13.092 -2.988 496 HB3 MET 67 HB1 MET 67 5.098 11.525 -3.743 497 HG2 MET 67 HG2 MET 67 5.221 12.648 -5.654 498 HG3 MET 67 HG1 MET 67 3.466 12.781 -5.542 499 HE1 MET 67 HE1 MET 67 4.695 15.910 -7.098 500 HE2 MET 67 HE2 MET 67 5.341 14.270 -7.155 501 HE3 MET 67 HE3 MET 67 6.288 15.566 -6.425 502 H ARG 68 HN ARG 68 3.811 9.514 -3.193 503 HA ARG 68 HA ARG 68 2.940 8.553 -5.649 504 HB2 ARG 68 HB2 ARG 68 2.951 6.976 -3.069 505 HB3 ARG 68 HB1 ARG 68 3.130 6.339 -4.694 506 HG2 ARG 68 HG2 ARG 68 5.236 7.855 -4.777 507 HG3 ARG 68 HG1 ARG 68 5.088 7.829 -3.022 508 HD2 ARG 68 HD2 ARG 68 5.689 5.665 -2.859 509 HD3 ARG 68 HD1 ARG 68 4.878 5.215 -4.358 510 HE ARG 68 HE ARG 68 6.916 6.561 -5.341 511 HH11 ARG 68 HH11 ARG 68 6.898 4.245 -2.723 512 HH12 ARG 68 HH12 ARG 68 8.526 3.731 -3.005 513 HH21 ARG 68 HH21 ARG 68 9.051 5.881 -5.710 514 HH22 ARG 68 HH22 ARG 68 9.747 4.656 -4.702 515 H ASP 69 HN ASP 69 1.232 8.963 -2.625 516 HA ASP 69 HA ASP 69 -1.150 7.597 -3.355 517 HB2 ASP 69 HB2 ASP 69 -0.652 7.891 -1.016 518 HB3 ASP 69 HB1 ASP 69 -0.575 9.639 -1.199 519 H ALA 70 HN ALA 70 0.158 10.495 -4.386 520 HA ALA 70 HA ALA 70 -2.230 12.035 -4.692 521 HB1 ALA 70 HB1 ALA 70 0.158 12.387 -6.463 522 HB2 ALA 70 HB2 ALA 70 0.266 12.810 -4.754 523 HB3 ALA 70 HB3 ALA 70 -0.923 13.605 -5.787 524 H ILE 71 HN ILE 71 -0.486 9.636 -6.486 525 HA ILE 71 HA ILE 71 -2.392 9.794 -8.708 526 HB ILE 71 HB ILE 71 0.193 8.253 -8.499 527 HG12 ILE 71 HG12 ILE 71 0.743 10.006 -10.394 528 HG13 ILE 71 HG11 ILE 71 -0.504 10.948 -9.584 529 HG21 ILE 71 HG21 ILE 71 -1.973 8.305 -10.488 530 HG22 ILE 71 HG22 ILE 71 -0.796 7.044 -10.123 531 HG23 ILE 71 HG23 ILE 71 -0.338 8.409 -11.141 532 HD11 ILE 71 HD11 ILE 71 1.076 11.676 -8.218 533 HD12 ILE 71 HD12 ILE 71 2.240 10.508 -8.844 534 HD13 ILE 71 HD13 ILE 71 1.147 10.050 -7.538 535 H ARG 72 HN ARG 72 -0.916 7.505 -6.387 536 HA ARG 72 HA ARG 72 -2.546 5.308 -7.123 537 HB2 ARG 72 HB2 ARG 72 -0.551 5.930 -5.092 538 HB3 ARG 72 HB1 ARG 72 -1.858 4.962 -4.432 539 HG2 ARG 72 HG2 ARG 72 -1.290 3.682 -6.792 540 HG3 ARG 72 HG1 ARG 72 0.289 4.233 -6.242 541 HD2 ARG 72 HD2 ARG 72 0.378 2.649 -4.704 542 HD3 ARG 72 HD1 ARG 72 -1.169 3.159 -4.035 543 HE ARG 72 HE ARG 72 -1.918 1.709 -6.160 544 HH11 ARG 72 HH11 ARG 72 0.312 1.061 -3.556 545 HH12 ARG 72 HH12 ARG 72 -0.005 -0.640 -3.538 546 HH21 ARG 72 HH21 ARG 72 -2.379 -0.528 -6.092 547 HH22 ARG 72 HH22 ARG 72 -1.521 -1.543 -4.984 548 H GLY 73 HN GLY 73 -2.730 7.738 -4.534 549 HA2 GLY 73 HA2 GLY 73 -5.475 6.832 -3.952 550 HA3 GLY 73 HA1 GLY 73 -4.457 7.745 -2.848 Start of MODEL 6 1 H1 GLN 1 HN GLN 1 -16.014 6.126 6.945 2 HA GLN 1 HA GLN 1 -17.841 4.048 6.111 3 HB2 GLN 1 HB2 GLN 1 -17.954 6.970 6.508 4 HB3 GLN 1 HB1 GLN 1 -18.987 6.345 5.230 5 HG2 GLN 1 HG2 GLN 1 -18.980 5.344 8.068 6 HG3 GLN 1 HG1 GLN 1 -20.114 6.528 7.419 7 HE21 GLN 1 HE21 GLN 1 -19.846 3.418 8.234 8 HE22 GLN 1 HE22 GLN 1 -20.974 2.703 7.138 9 H ILE 2 HN ILE 2 -15.155 5.200 4.695 10 HA ILE 2 HA ILE 2 -16.274 4.829 2.000 11 HB ILE 2 HB ILE 2 -14.620 6.428 1.116 12 HG12 ILE 2 HG12 ILE 2 -13.068 6.185 3.121 13 HG13 ILE 2 HG11 ILE 2 -13.293 7.818 2.506 14 HG21 ILE 2 HG21 ILE 2 -16.438 7.611 3.209 15 HG22 ILE 2 HG22 ILE 2 -16.917 7.131 1.581 16 HG23 ILE 2 HG23 ILE 2 -15.772 8.453 1.810 17 HD11 ILE 2 HD11 ILE 2 -15.243 7.308 4.522 18 HD12 ILE 2 HD12 ILE 2 -13.945 8.501 4.501 19 HD13 ILE 2 HD13 ILE 2 -13.645 6.881 5.131 20 H PHE 3 HN PHE 3 -15.151 3.521 0.649 21 HA PHE 3 HA PHE 3 -12.505 2.578 1.496 22 HB2 PHE 3 HB2 PHE 3 -14.906 0.874 0.849 23 HB3 PHE 3 HB1 PHE 3 -13.264 0.249 0.742 24 HD1 PHE 3 HD1 PHE 3 -12.021 -0.301 2.692 25 HD2 PHE 3 HD2 PHE 3 -15.829 1.570 3.024 26 HE1 PHE 3 HE1 PHE 3 -12.057 -0.809 5.099 27 HE2 PHE 3 HE2 PHE 3 -15.871 1.066 5.432 28 HZ PHE 3 HZ PHE 3 -13.983 -0.125 6.472 29 H ASP 4 HN ASP 4 -11.364 3.507 -0.121 30 HA ASP 4 HA ASP 4 -12.207 2.943 -2.885 31 HB2 ASP 4 HB2 ASP 4 -10.928 5.278 -1.590 32 HB3 ASP 4 HB1 ASP 4 -10.312 4.853 -3.184 33 H SER 5 HN SER 5 -9.970 3.284 -4.291 34 HA SER 5 HA SER 5 -8.065 1.329 -3.194 35 HB2 SER 5 HB2 SER 5 -7.675 0.715 -5.650 36 HB3 SER 5 HB1 SER 5 -9.203 0.190 -4.942 37 HG SER 5 HG SER 5 -8.857 2.557 -6.471 38 H SER 6 HN SER 6 -6.718 2.976 -2.409 39 HA SER 6 HA SER 6 -5.839 5.140 -3.980 40 HB2 SER 6 HB2 SER 6 -3.819 4.933 -2.224 41 HB3 SER 6 HB1 SER 6 -5.385 5.611 -1.779 42 HG SER 6 HG SER 6 -5.877 3.821 -0.697 43 H CYS 7 HN CYS 7 -4.636 1.864 -3.790 44 HA CYS 7 HA CYS 7 -2.430 2.802 -5.456 45 HB2 CYS 7 HB2 CYS 7 -2.073 0.181 -5.604 46 HB3 CYS 7 HB1 CYS 7 -1.600 1.049 -4.150 47 H LYS 8 HN LYS 8 -2.543 2.750 -7.645 48 HA LYS 8 HA LYS 8 -4.773 1.230 -8.829 49 HB2 LYS 8 HB2 LYS 8 -5.211 3.681 -8.860 50 HB3 LYS 8 HB1 LYS 8 -3.744 3.899 -9.807 51 HG2 LYS 8 HG2 LYS 8 -4.781 3.367 -11.698 52 HG3 LYS 8 HG1 LYS 8 -5.498 1.922 -10.984 53 HD2 LYS 8 HD2 LYS 8 -7.353 3.126 -10.160 54 HD3 LYS 8 HD1 LYS 8 -6.565 4.680 -10.439 55 HE2 LYS 8 HE2 LYS 8 -6.550 3.875 -12.932 56 HE3 LYS 8 HE1 LYS 8 -7.857 2.825 -12.387 57 HZ1 LYS 8 HZ1 LYS 8 -7.829 5.694 -12.777 58 HZ2 LYS 8 HZ2 LYS 8 -8.609 5.179 -11.367 59 HZ3 LYS 8 HZ3 LYS 8 -9.116 4.599 -12.873 60 H GLY 9 HN GLY 9 -4.339 0.186 -10.746 61 HA2 GLY 9 HA2 GLY 9 -1.913 -0.958 -11.120 62 HA3 GLY 9 HA1 GLY 9 -3.054 -0.712 -12.431 63 H VAL 10 HN VAL 10 -2.722 2.319 -12.011 64 HA VAL 10 HA VAL 10 -0.595 2.523 -13.868 65 HB VAL 10 HB VAL 10 -2.018 4.869 -12.708 66 HG11 VAL 10 HG11 VAL 10 -1.174 6.070 -14.422 67 HG12 VAL 10 HG12 VAL 10 -1.295 4.733 -15.566 68 HG13 VAL 10 HG13 VAL 10 0.052 4.803 -14.430 69 HG21 VAL 10 HG21 VAL 10 -2.953 3.078 -14.955 70 HG22 VAL 10 HG22 VAL 10 -3.660 4.641 -14.543 71 HG23 VAL 10 HG23 VAL 10 -3.738 3.307 -13.392 72 H TYR 11 HN TYR 11 -1.068 4.344 -10.883 73 HA TYR 11 HA TYR 11 1.732 5.016 -11.008 74 HB2 TYR 11 HB2 TYR 11 -0.415 6.316 -9.890 75 HB3 TYR 11 HB1 TYR 11 0.388 5.638 -8.484 76 HD1 TYR 11 HD1 TYR 11 1.631 7.305 -7.439 77 HD2 TYR 11 HD2 TYR 11 1.698 7.023 -11.683 78 HE1 TYR 11 HE1 TYR 11 3.310 9.100 -7.530 79 HE2 TYR 11 HE2 TYR 11 3.374 8.817 -11.783 80 HH TYR 11 HH TYR 11 4.119 10.722 -10.368 81 H ASP 12 HN ASP 12 -0.290 2.623 -9.942 82 HA ASP 12 HA ASP 12 1.673 1.583 -8.036 83 HB2 ASP 12 HB2 ASP 12 -0.963 1.608 -7.796 84 HB3 ASP 12 HB1 ASP 12 -0.794 0.101 -8.691 85 H ARG 13 HN ARG 13 1.477 1.738 -11.156 86 HA ARG 13 HA ARG 13 1.739 -0.989 -11.966 87 HB2 ARG 13 HB2 ARG 13 1.249 1.277 -13.377 88 HB3 ARG 13 HB1 ARG 13 2.987 1.168 -13.592 89 HG2 ARG 13 HG2 ARG 13 2.746 -1.066 -14.529 90 HG3 ARG 13 HG1 ARG 13 1.000 -0.983 -14.291 91 HD2 ARG 13 HD2 ARG 13 1.633 -0.483 -16.607 92 HD3 ARG 13 HD1 ARG 13 0.856 0.893 -15.825 93 HE ARG 13 HE ARG 13 3.565 1.251 -15.467 94 HH11 ARG 13 HH11 ARG 13 1.391 0.949 -18.179 95 HH12 ARG 13 HH12 ARG 13 2.350 1.947 -19.220 96 HH21 ARG 13 HH21 ARG 13 4.827 2.566 -16.833 97 HH22 ARG 13 HH22 ARG 13 4.301 2.865 -18.456 98 H ALA 14 HN ALA 14 3.604 1.711 -10.955 99 HA ALA 14 HA ALA 14 6.183 0.399 -11.284 100 HB1 ALA 14 HB1 ALA 14 6.531 2.642 -11.567 101 HB2 ALA 14 HB2 ALA 14 6.817 2.535 -9.830 102 HB3 ALA 14 HB3 ALA 14 5.257 3.094 -10.435 103 H ILE 15 HN ILE 15 3.879 1.212 -8.807 104 HA ILE 15 HA ILE 15 5.374 0.379 -6.586 105 HB ILE 15 HB ILE 15 2.427 0.828 -6.966 106 HG12 ILE 15 HG12 ILE 15 3.010 2.985 -6.919 107 HG13 ILE 15 HG11 ILE 15 3.413 2.752 -5.224 108 HG21 ILE 15 HG21 ILE 15 1.987 0.554 -4.737 109 HG22 ILE 15 HG22 ILE 15 3.668 0.751 -4.274 110 HG23 ILE 15 HG23 ILE 15 3.140 -0.740 -5.047 111 HD11 ILE 15 HD11 ILE 15 5.738 2.142 -5.992 112 HD12 ILE 15 HD12 ILE 15 5.265 3.819 -6.227 113 HD13 ILE 15 HD13 ILE 15 5.264 2.706 -7.591 114 H PHE 16 HN PHE 16 3.213 -1.153 -8.836 115 HA PHE 16 HA PHE 16 2.572 -3.463 -7.428 116 HB2 PHE 16 HB2 PHE 16 1.464 -2.964 -9.512 117 HB3 PHE 16 HB1 PHE 16 2.987 -3.036 -10.392 118 HD1 PHE 16 HD1 PHE 16 4.001 -5.155 -10.950 119 HD2 PHE 16 HD2 PHE 16 0.335 -4.979 -8.796 120 HE1 PHE 16 HE1 PHE 16 3.622 -7.543 -11.407 121 HE2 PHE 16 HE2 PHE 16 -0.050 -7.366 -9.248 122 HZ PHE 16 HZ PHE 16 1.595 -8.652 -10.555 123 H ASN 17 HN ASN 17 5.254 -2.870 -9.671 124 HA ASN 17 HA ASN 17 6.480 -5.388 -8.967 125 HB2 ASN 17 HB2 ASN 17 6.814 -3.368 -11.050 126 HB3 ASN 17 HB1 ASN 17 8.344 -4.008 -10.457 127 HD21 ASN 17 HD21 ASN 17 8.962 -5.317 -12.052 128 HD22 ASN 17 HD22 ASN 17 8.038 -6.643 -12.663 129 H GLU 18 HN GLU 18 6.710 -2.113 -7.845 130 HA GLU 18 HA GLU 18 9.350 -2.518 -6.774 131 HB2 GLU 18 HB2 GLU 18 7.531 -0.118 -6.875 132 HB3 GLU 18 HB1 GLU 18 9.072 -0.132 -6.029 133 HG2 GLU 18 HG2 GLU 18 8.770 -0.732 -8.959 134 HG3 GLU 18 HG1 GLU 18 9.133 0.867 -8.310 135 H LEU 19 HN LEU 19 6.213 -1.341 -5.596 136 HA LEU 19 HA LEU 19 7.088 -1.948 -2.973 137 HB2 LEU 19 HB2 LEU 19 4.462 -0.823 -3.763 138 HB3 LEU 19 HB1 LEU 19 5.252 -0.676 -2.207 139 HG LEU 19 HG LEU 19 5.940 0.694 -4.792 140 HD11 LEU 19 HD11 LEU 19 4.639 1.441 -2.325 141 HD12 LEU 19 HD12 LEU 19 4.781 2.340 -3.836 142 HD13 LEU 19 HD13 LEU 19 6.053 2.453 -2.621 143 HD21 LEU 19 HD21 LEU 19 8.025 -0.175 -3.877 144 HD22 LEU 19 HD22 LEU 19 7.653 0.547 -2.311 145 HD23 LEU 19 HD23 LEU 19 7.950 1.579 -3.710 146 H GLU 20 HN GLU 20 4.561 -3.028 -5.154 147 HA GLU 20 HA GLU 20 3.086 -4.470 -3.470 148 HB2 GLU 20 HB2 GLU 20 3.030 -4.303 -6.104 149 HB3 GLU 20 HB1 GLU 20 3.742 -5.903 -5.970 150 HG2 GLU 20 HG2 GLU 20 1.289 -5.271 -4.412 151 HG3 GLU 20 HG1 GLU 20 1.159 -5.605 -6.139 152 H HIS 21 HN HIS 21 6.251 -5.330 -4.685 153 HA HIS 21 HA HIS 21 6.308 -7.991 -3.713 154 HB2 HIS 21 HB2 HIS 21 8.559 -6.009 -4.111 155 HB3 HIS 21 HB1 HIS 21 8.791 -7.704 -3.697 156 HD1 HIS 21 HD1 HIS 21 10.008 -8.263 -5.881 157 HD2 HIS 21 HD2 HIS 21 6.202 -6.698 -6.453 158 HE1 HIS 21 HE1 HIS 21 9.485 -8.643 -8.310 159 HE2 HIS 21 HE2 HIS 21 7.215 -7.604 -8.654 160 H VAL 22 HN VAL 22 7.040 -4.838 -2.354 161 HA VAL 22 HA VAL 22 8.072 -5.650 0.131 162 HB VAL 22 HB VAL 22 6.329 -3.224 -0.360 163 HG11 VAL 22 HG11 VAL 22 7.587 -2.264 1.523 164 HG12 VAL 22 HG12 VAL 22 8.410 -3.808 1.742 165 HG13 VAL 22 HG13 VAL 22 6.668 -3.695 1.992 166 HG21 VAL 22 HG21 VAL 22 9.275 -2.982 -0.343 167 HG22 VAL 22 HG22 VAL 22 8.069 -2.100 -1.279 168 HG23 VAL 22 HG23 VAL 22 8.553 -3.723 -1.771 169 H CYS 23 HN CYS 23 4.794 -5.336 -1.088 170 HA CYS 23 HA CYS 23 3.533 -5.865 1.430 171 HB2 CYS 23 HB2 CYS 23 1.580 -5.467 0.357 172 HB3 CYS 23 HB1 CYS 23 2.634 -4.789 -0.870 173 H ASN 24 HN ASN 24 4.305 -7.733 -1.480 174 HA ASN 24 HA ASN 24 3.227 -10.189 -0.721 175 HB2 ASN 24 HB2 ASN 24 5.506 -9.354 -2.473 176 HB3 ASN 24 HB1 ASN 24 5.380 -11.054 -2.029 177 HD21 ASN 24 HD21 ASN 24 4.463 -12.181 -3.568 178 HD22 ASN 24 HD22 ASN 24 3.137 -11.677 -4.554 179 H ASP 25 HN ASP 25 6.018 -8.418 0.303 180 HA ASP 25 HA ASP 25 7.215 -10.588 1.785 181 HB2 ASP 25 HB2 ASP 25 8.053 -8.059 0.920 182 HB3 ASP 25 HB1 ASP 25 8.001 -7.936 2.676 183 H CYS 26 HN CYS 26 5.412 -7.622 2.595 184 HA CYS 26 HA CYS 26 5.277 -7.931 5.350 185 HB2 CYS 26 HB2 CYS 26 3.198 -6.761 3.486 186 HB3 CYS 26 HB1 CYS 26 3.246 -6.518 5.229 187 H TYR 27 HN TYR 27 3.603 -9.632 2.836 188 HA TYR 27 HA TYR 27 1.316 -10.574 4.006 189 HB2 TYR 27 HB2 TYR 27 2.094 -11.097 1.698 190 HB3 TYR 27 HB1 TYR 27 3.242 -12.245 2.377 191 HD1 TYR 27 HD1 TYR 27 -0.090 -11.761 1.199 192 HD2 TYR 27 HD2 TYR 27 2.293 -14.192 3.750 193 HE1 TYR 27 HE1 TYR 27 -1.814 -13.513 1.128 194 HE2 TYR 27 HE2 TYR 27 0.576 -15.952 3.687 195 HH TYR 27 HH TYR 27 -1.775 -16.215 3.238 196 H ASN 28 HN ASN 28 4.612 -11.443 4.759 197 HA ASN 28 HA ASN 28 4.186 -13.830 6.149 198 HB2 ASN 28 HB2 ASN 28 6.309 -11.763 6.075 199 HB3 ASN 28 HB1 ASN 28 6.285 -12.803 7.496 200 HD21 ASN 28 HD21 ASN 28 5.637 -15.203 6.632 201 HD22 ASN 28 HD22 ASN 28 6.754 -15.786 5.449 202 H LEU 29 HN LEU 29 4.272 -10.481 7.350 203 HA LEU 29 HA LEU 29 3.806 -11.050 10.047 204 HB2 LEU 29 HB2 LEU 29 3.554 -8.685 8.294 205 HB3 LEU 29 HB1 LEU 29 2.600 -8.641 9.765 206 HG LEU 29 HG LEU 29 4.821 -7.542 9.972 207 HD11 LEU 29 HD11 LEU 29 4.046 -9.863 11.691 208 HD12 LEU 29 HD12 LEU 29 3.926 -8.134 12.022 209 HD13 LEU 29 HD13 LEU 29 5.500 -8.930 12.048 210 HD21 LEU 29 HD21 LEU 29 5.994 -10.307 9.890 211 HD22 LEU 29 HD22 LEU 29 6.833 -8.756 9.914 212 HD23 LEU 29 HD23 LEU 29 5.950 -9.259 8.473 213 H TYR 30 HN TYR 30 1.364 -9.575 7.916 214 HA TYR 30 HA TYR 30 -0.816 -10.360 9.508 215 HB2 TYR 30 HB2 TYR 30 -0.415 -8.850 7.140 216 HB3 TYR 30 HB1 TYR 30 -1.634 -10.067 6.772 217 HD1 TYR 30 HD1 TYR 30 -3.670 -10.218 8.288 218 HD2 TYR 30 HD2 TYR 30 -0.968 -6.934 8.376 219 HE1 TYR 30 HE1 TYR 30 -5.379 -8.850 9.408 220 HE2 TYR 30 HE2 TYR 30 -2.668 -5.556 9.496 221 HH TYR 30 HH TYR 30 -4.670 -5.837 10.845 222 H ARG 31 HN ARG 31 -2.598 -11.826 8.788 223 HA ARG 31 HA ARG 31 -1.448 -14.379 8.020 224 HB2 ARG 31 HB2 ARG 31 -4.329 -13.847 8.725 225 HB3 ARG 31 HB1 ARG 31 -3.455 -15.370 8.816 226 HG2 ARG 31 HG2 ARG 31 -1.969 -14.032 10.527 227 HG3 ARG 31 HG1 ARG 31 -3.429 -13.051 10.673 228 HD2 ARG 31 HD2 ARG 31 -4.027 -15.886 10.728 229 HD3 ARG 31 HD1 ARG 31 -2.881 -15.436 11.990 230 HE ARG 31 HE ARG 31 -4.545 -14.264 13.050 231 HH11 ARG 31 HH11 ARG 31 -5.595 -15.081 9.823 232 HH12 ARG 31 HH12 ARG 31 -7.230 -14.580 10.094 233 HH21 ARG 31 HH21 ARG 31 -6.695 -13.605 13.407 234 HH22 ARG 31 HH22 ARG 31 -7.855 -13.741 12.127 235 H THR 32 HN THR 32 -4.321 -12.503 7.019 236 HA THR 32 HA THR 32 -3.789 -12.744 4.261 237 HB THR 32 HB THR 32 -6.024 -14.232 4.016 238 HG1 THR 32 HG1 THR 32 -4.694 -15.441 6.195 239 HG21 THR 32 HG21 THR 32 -3.654 -15.905 4.467 240 HG22 THR 32 HG22 THR 32 -3.462 -14.596 3.300 241 HG23 THR 32 HG23 THR 32 -4.731 -15.800 3.074 242 H SER 33 HN SER 33 -6.112 -12.503 3.048 243 HA SER 33 HA SER 33 -7.890 -11.160 2.626 244 HB2 SER 33 HB2 SER 33 -8.389 -10.316 5.397 245 HB3 SER 33 HB1 SER 33 -9.476 -11.069 4.232 246 HG SER 33 HG SER 33 -8.718 -13.052 4.799 247 H HIS 34 HN HIS 34 -6.580 -9.560 5.511 248 HA HIS 34 HA HIS 34 -6.810 -6.984 4.383 249 HB2 HIS 34 HB2 HIS 34 -5.467 -8.070 6.834 250 HB3 HIS 34 HB1 HIS 34 -5.237 -6.388 6.370 251 HD1 HIS 34 HD1 HIS 34 -8.563 -7.998 5.836 252 HD2 HIS 34 HD2 HIS 34 -6.706 -5.499 8.587 253 HE1 HIS 34 HE1 HIS 34 -10.413 -7.096 7.281 254 HE2 HIS 34 HE2 HIS 34 -9.275 -5.522 8.885 255 H VAL 35 HN VAL 35 -4.338 -9.362 4.175 256 HA VAL 35 HA VAL 35 -2.286 -7.476 3.405 257 HB VAL 35 HB VAL 35 -1.672 -9.529 4.633 258 HG11 VAL 35 HG11 VAL 35 -2.311 -11.057 2.121 259 HG12 VAL 35 HG12 VAL 35 -3.423 -10.950 3.485 260 HG13 VAL 35 HG13 VAL 35 -1.839 -11.694 3.696 261 HG21 VAL 35 HG21 VAL 35 -0.057 -10.313 2.573 262 HG22 VAL 35 HG22 VAL 35 0.247 -8.940 3.637 263 HG23 VAL 35 HG23 VAL 35 -0.530 -8.689 2.074 264 H ALA 36 HN ALA 36 -4.332 -9.920 1.911 265 HA ALA 36 HA ALA 36 -3.296 -9.464 -0.737 266 HB1 ALA 36 HB1 ALA 36 -4.849 -11.100 -1.471 267 HB2 ALA 36 HB2 ALA 36 -5.843 -10.903 -0.027 268 HB3 ALA 36 HB3 ALA 36 -4.250 -11.649 0.094 269 H SER 37 HN SER 37 -6.362 -8.774 0.924 270 HA SER 37 HA SER 37 -7.444 -7.260 -1.238 271 HB2 SER 37 HB2 SER 37 -8.638 -8.427 0.798 272 HB3 SER 37 HB1 SER 37 -8.357 -6.877 1.591 273 HG SER 37 HG SER 37 -9.669 -7.214 -0.904 274 H GLY 38 HN GLY 38 -4.969 -6.617 0.886 275 HA2 GLY 38 HA2 GLY 38 -5.267 -3.720 0.463 276 HA3 GLY 38 HA1 GLY 38 -4.759 -4.359 2.022 277 H CYS 39 HN CYS 39 -3.729 -5.969 -0.826 278 HA CYS 39 HA CYS 39 -0.972 -5.243 -0.307 279 HB2 CYS 39 HB2 CYS 39 -2.246 -7.600 -1.228 280 HB3 CYS 39 HB1 CYS 39 -1.218 -7.025 -2.535 281 H ARG 40 HN ARG 40 -3.157 -5.396 -3.137 282 HA ARG 40 HA ARG 40 -1.572 -3.200 -4.289 283 HB2 ARG 40 HB2 ARG 40 -2.450 -4.390 -6.522 284 HB3 ARG 40 HB1 ARG 40 -0.866 -4.618 -5.808 285 HG2 ARG 40 HG2 ARG 40 -1.959 -6.572 -4.530 286 HG3 ARG 40 HG1 ARG 40 -3.240 -6.438 -5.738 287 HD2 ARG 40 HD2 ARG 40 -1.363 -6.547 -7.470 288 HD3 ARG 40 HD1 ARG 40 -0.336 -7.089 -6.144 289 HE ARG 40 HE ARG 40 -1.394 -9.126 -6.191 290 HH11 ARG 40 HH11 ARG 40 -3.227 -6.839 -8.087 291 HH12 ARG 40 HH12 ARG 40 -4.278 -8.044 -8.754 292 HH21 ARG 40 HH21 ARG 40 -2.774 -10.712 -7.067 293 HH22 ARG 40 HH22 ARG 40 -4.021 -10.243 -8.174 294 H VAL 41 HN VAL 41 -4.452 -3.641 -3.035 295 HA VAL 41 HA VAL 41 -5.562 -1.550 -4.690 296 HB VAL 41 HB VAL 41 -7.345 -3.899 -4.095 297 HG11 VAL 41 HG11 VAL 41 -7.548 -1.426 -5.777 298 HG12 VAL 41 HG12 VAL 41 -8.641 -2.010 -4.523 299 HG13 VAL 41 HG13 VAL 41 -8.574 -2.827 -6.084 300 HG21 VAL 41 HG21 VAL 41 -7.074 -4.638 -6.405 301 HG22 VAL 41 HG22 VAL 41 -5.539 -4.700 -5.540 302 HG23 VAL 41 HG23 VAL 41 -5.860 -3.387 -6.672 303 H ASN 42 HN ASN 42 -6.799 -0.120 -3.453 304 HA ASN 42 HA ASN 42 -7.316 0.939 -1.471 305 HB2 ASN 42 HB2 ASN 42 -8.911 -0.219 -0.021 306 HB3 ASN 42 HB1 ASN 42 -9.344 -0.481 -1.707 307 HD21 ASN 42 HD21 ASN 42 -9.011 -2.522 -2.629 308 HD22 ASN 42 HD22 ASN 42 -8.824 -3.935 -1.652 309 H CYS 43 HN CYS 43 -5.074 -0.956 -1.934 310 HA CYS 43 HA CYS 43 -4.135 -1.921 0.577 311 HB2 CYS 43 HB2 CYS 43 -2.452 -2.914 -0.748 312 HB3 CYS 43 HB1 CYS 43 -3.865 -2.955 -1.774 313 H PHE 44 HN PHE 44 -3.387 0.476 -1.816 314 HA PHE 44 HA PHE 44 -0.992 1.121 -1.192 315 HB2 PHE 44 HB2 PHE 44 -2.602 2.265 -2.843 316 HB3 PHE 44 HB1 PHE 44 -2.748 3.477 -1.570 317 HD1 PHE 44 HD1 PHE 44 -1.402 5.306 -1.918 318 HD2 PHE 44 HD2 PHE 44 0.016 1.445 -2.998 319 HE1 PHE 44 HE1 PHE 44 0.757 6.285 -2.573 320 HE2 PHE 44 HE2 PHE 44 2.178 2.406 -3.661 321 HZ PHE 44 HZ PHE 44 2.547 4.837 -3.435 322 H GLU 45 HN GLU 45 -3.472 3.245 0.246 323 HA GLU 45 HA GLU 45 -1.593 3.994 2.309 324 HB2 GLU 45 HB2 GLU 45 -3.309 5.492 1.066 325 HB3 GLU 45 HB1 GLU 45 -4.448 4.878 2.256 326 HG2 GLU 45 HG2 GLU 45 -3.597 6.129 3.902 327 HG3 GLU 45 HG1 GLU 45 -1.933 5.850 3.390 328 H ASN 46 HN ASN 46 -4.947 2.859 2.432 329 HA ASN 46 HA ASN 46 -5.222 2.496 5.089 330 HB2 ASN 46 HB2 ASN 46 -6.499 1.451 2.716 331 HB3 ASN 46 HB1 ASN 46 -6.529 0.271 4.023 332 HD21 ASN 46 HD21 ASN 46 -6.723 1.898 6.220 333 HD22 ASN 46 HD22 ASN 46 -8.235 2.732 6.190 334 H HIS 47 HN HIS 47 -4.283 -0.259 2.980 335 HA HIS 47 HA HIS 47 -3.305 -1.561 5.405 336 HB2 HIS 47 HB2 HIS 47 -3.987 -2.647 2.690 337 HB3 HIS 47 HB1 HIS 47 -3.301 -3.618 3.987 338 HD1 HIS 47 HD1 HIS 47 -6.458 -2.608 2.600 339 HD2 HIS 47 HD2 HIS 47 -5.061 -3.557 6.396 340 HE1 HIS 47 HE1 HIS 47 -8.508 -3.131 3.959 341 HE2 HIS 47 HE2 HIS 47 -7.630 -3.798 6.224 342 H VAL 48 HN VAL 48 -2.176 -1.651 2.017 343 HA VAL 48 HA VAL 48 0.261 -2.705 2.700 344 HB VAL 48 HB VAL 48 -0.913 -2.441 0.347 345 HG11 VAL 48 HG11 VAL 48 1.294 -0.565 -0.243 346 HG12 VAL 48 HG12 VAL 48 -0.106 0.123 0.573 347 HG13 VAL 48 HG13 VAL 48 -0.306 -0.704 -0.967 348 HG21 VAL 48 HG21 VAL 48 1.985 -2.457 -0.029 349 HG22 VAL 48 HG22 VAL 48 0.786 -3.711 -0.347 350 HG23 VAL 48 HG23 VAL 48 1.435 -3.504 1.280 351 H PHE 49 HN PHE 49 -0.619 0.672 2.810 352 HA PHE 49 HA PHE 49 2.215 1.243 3.265 353 HB2 PHE 49 HB2 PHE 49 -0.072 3.018 2.536 354 HB3 PHE 49 HB1 PHE 49 1.306 3.697 3.387 355 HD1 PHE 49 HD1 PHE 49 1.560 5.133 1.332 356 HD2 PHE 49 HD2 PHE 49 2.080 0.907 1.260 357 HE1 PHE 49 HE1 PHE 49 2.812 5.320 -0.778 358 HE2 PHE 49 HE2 PHE 49 3.332 1.090 -0.848 359 HZ PHE 49 HZ PHE 49 3.700 3.300 -1.867 360 H ASP 50 HN ASP 50 -0.641 0.602 4.928 361 HA ASP 50 HA ASP 50 0.049 2.106 7.287 362 HB2 ASP 50 HB2 ASP 50 -2.311 1.634 6.653 363 HB3 ASP 50 HB1 ASP 50 -1.980 -0.084 6.880 364 H ASP 51 HN ASP 51 0.059 -1.167 5.995 365 HA ASP 51 HA ASP 51 1.170 -2.162 8.429 366 HB2 ASP 51 HB2 ASP 51 -0.260 -3.273 6.264 367 HB3 ASP 51 HB1 ASP 51 1.273 -4.131 6.373 368 H CYS 52 HN CYS 52 2.291 -1.797 5.103 369 HA CYS 52 HA CYS 52 4.842 -2.958 5.722 370 HB2 CYS 52 HB2 CYS 52 3.893 -1.490 3.270 371 HB3 CYS 52 HB1 CYS 52 5.474 -2.242 3.417 372 H VAL 53 HN VAL 53 4.201 0.344 4.476 373 HA VAL 53 HA VAL 53 6.749 1.258 5.167 374 HB VAL 53 HB VAL 53 5.133 3.540 5.414 375 HG11 VAL 53 HG11 VAL 53 7.033 2.373 3.511 376 HG12 VAL 53 HG12 VAL 53 6.965 3.994 4.202 377 HG13 VAL 53 HG13 VAL 53 5.945 3.577 2.825 378 HG21 VAL 53 HG21 VAL 53 3.379 1.859 4.469 379 HG22 VAL 53 HG22 VAL 53 4.207 2.161 2.947 380 HG23 VAL 53 HG23 VAL 53 3.479 3.498 3.839 381 H TYR 54 HN TYR 54 3.893 0.907 7.164 382 HA TYR 54 HA TYR 54 4.709 2.665 9.177 383 HB2 TYR 54 HB2 TYR 54 2.413 1.757 8.981 384 HB3 TYR 54 HB1 TYR 54 3.022 0.214 9.577 385 HD1 TYR 54 HD1 TYR 54 3.882 0.055 11.910 386 HD2 TYR 54 HD2 TYR 54 1.954 3.559 10.460 387 HE1 TYR 54 HE1 TYR 54 3.535 0.814 14.223 388 HE2 TYR 54 HE2 TYR 54 1.603 4.328 12.768 389 HH TYR 54 HH TYR 54 2.700 3.936 15.027 390 H GLU 55 HN GLU 55 5.891 -0.444 8.391 391 HA GLU 55 HA GLU 55 7.547 -0.279 10.811 392 HB2 GLU 55 HB2 GLU 55 5.683 -1.969 11.042 393 HB3 GLU 55 HB1 GLU 55 6.464 -2.889 9.764 394 HG2 GLU 55 HG2 GLU 55 7.436 -3.926 11.504 395 HG3 GLU 55 HG1 GLU 55 8.553 -2.565 11.404 396 H LEU 56 HN LEU 56 7.369 -0.811 7.427 397 HA LEU 56 HA LEU 56 10.041 -2.045 7.441 398 HB2 LEU 56 HB2 LEU 56 8.408 -1.597 4.975 399 HB3 LEU 56 HB1 LEU 56 9.692 -2.757 5.244 400 HG LEU 56 HG LEU 56 6.821 -2.896 6.024 401 HD11 LEU 56 HD11 LEU 56 7.292 -5.309 5.333 402 HD12 LEU 56 HD12 LEU 56 8.840 -4.707 4.741 403 HD13 LEU 56 HD13 LEU 56 7.336 -4.080 4.069 404 HD21 LEU 56 HD21 LEU 56 7.530 -3.358 8.150 405 HD22 LEU 56 HD22 LEU 56 9.107 -3.938 7.617 406 HD23 LEU 56 HD23 LEU 56 7.683 -4.960 7.429 407 H LEU 57 HN LEU 57 8.503 0.365 5.299 408 HA LEU 57 HA LEU 57 11.113 1.457 4.723 409 HB2 LEU 57 HB2 LEU 57 8.725 1.188 3.314 410 HB3 LEU 57 HB1 LEU 57 8.942 2.915 3.518 411 HG LEU 57 HG LEU 57 9.900 2.105 1.407 412 HD11 LEU 57 HD11 LEU 57 10.910 4.064 2.202 413 HD12 LEU 57 HD12 LEU 57 12.256 2.992 1.814 414 HD13 LEU 57 HD13 LEU 57 11.756 3.209 3.492 415 HD21 LEU 57 HD21 LEU 57 11.353 0.390 1.227 416 HD22 LEU 57 HD22 LEU 57 10.628 -0.108 2.756 417 HD23 LEU 57 HD23 LEU 57 12.158 0.770 2.750 418 H LEU 58 HN LEU 58 8.042 3.043 5.596 419 HA LEU 58 HA LEU 58 9.487 4.810 7.404 420 HB2 LEU 58 HB2 LEU 58 7.779 6.279 5.493 421 HB3 LEU 58 HB1 LEU 58 9.274 6.760 6.266 422 HG LEU 58 HG LEU 58 9.344 4.720 4.080 423 HD11 LEU 58 HD11 LEU 58 9.343 6.311 2.382 424 HD12 LEU 58 HD12 LEU 58 9.525 7.653 3.512 425 HD13 LEU 58 HD13 LEU 58 7.992 6.788 3.410 426 HD21 LEU 58 HD21 LEU 58 11.360 6.842 4.322 427 HD22 LEU 58 HD22 LEU 58 11.559 5.107 4.078 428 HD23 LEU 58 HD23 LEU 58 11.263 5.741 5.696 429 H HIS 59 HN HIS 59 8.316 4.450 9.142 430 HA HIS 59 HA HIS 59 5.548 3.908 9.140 431 HB2 HIS 59 HB2 HIS 59 5.716 3.801 11.513 432 HB3 HIS 59 HB1 HIS 59 7.207 3.137 10.852 433 HD1 HIS 59 HD1 HIS 59 8.509 6.015 10.325 434 HD2 HIS 59 HD2 HIS 59 6.874 4.642 13.889 435 HE1 HIS 59 HE1 HIS 59 9.585 7.392 12.132 436 HE2 HIS 59 HE2 HIS 59 8.638 6.491 14.286 437 H ASN 60 HN ASN 60 7.241 6.882 9.066 438 HA ASN 60 HA ASN 60 4.760 8.295 9.741 439 HB2 ASN 60 HB2 ASN 60 7.324 8.552 10.956 440 HB3 ASN 60 HB1 ASN 60 7.013 10.028 10.047 441 HD21 ASN 60 HD21 ASN 60 4.898 11.061 10.430 442 HD22 ASN 60 HD22 ASN 60 4.254 11.022 12.033 443 HA PRO 61 HA PRO 61 7.124 10.669 6.241 444 HB2 PRO 61 HB2 PRO 61 8.827 8.504 5.164 445 HB3 PRO 61 HB1 PRO 61 9.197 10.217 5.396 446 HG2 PRO 61 HG2 PRO 61 10.223 8.372 7.020 447 HG3 PRO 61 HG1 PRO 61 9.683 9.941 7.649 448 HD2 PRO 61 HD2 PRO 61 8.302 7.285 7.747 449 HD3 PRO 61 HD1 PRO 61 8.442 8.525 9.010 450 H GLU 62 HN GLU 62 4.737 9.527 6.101 451 HA GLU 62 HA GLU 62 4.544 7.852 3.741 452 HB2 GLU 62 HB2 GLU 62 3.100 7.755 5.953 453 HB3 GLU 62 HB1 GLU 62 2.164 9.004 5.145 454 HG2 GLU 62 HG2 GLU 62 2.214 7.268 3.161 455 HG3 GLU 62 HG1 GLU 62 2.469 6.126 4.480 456 H GLU 63 HN GLU 63 4.959 11.028 4.351 457 HA GLU 63 HA GLU 63 3.196 12.603 3.044 458 HB2 GLU 63 HB2 GLU 63 6.195 12.649 2.984 459 HB3 GLU 63 HB1 GLU 63 5.219 13.943 2.306 460 HG2 GLU 63 HG2 GLU 63 5.059 13.039 5.172 461 HG3 GLU 63 HG1 GLU 63 6.062 14.376 4.610 462 H VAL 64 HN VAL 64 6.144 11.849 1.231 463 HA VAL 64 HA VAL 64 4.930 12.200 -1.277 464 HB VAL 64 HB VAL 64 6.956 11.101 -2.214 465 HG11 VAL 64 HG11 VAL 64 6.951 13.443 -0.425 466 HG12 VAL 64 HG12 VAL 64 7.411 13.309 -2.122 467 HG13 VAL 64 HG13 VAL 64 8.540 12.814 -0.861 468 HG21 VAL 64 HG21 VAL 64 8.739 10.924 -0.176 469 HG22 VAL 64 HG22 VAL 64 7.869 9.552 -0.862 470 HG23 VAL 64 HG23 VAL 64 7.273 10.331 0.604 471 H LEU 65 HN LEU 65 4.494 9.750 0.897 472 HA LEU 65 HA LEU 65 4.173 7.641 -1.087 473 HB2 LEU 65 HB2 LEU 65 3.503 7.566 1.856 474 HB3 LEU 65 HB1 LEU 65 3.691 6.198 0.780 475 HG LEU 65 HG LEU 65 5.863 8.023 1.799 476 HD11 LEU 65 HD11 LEU 65 4.792 5.472 2.629 477 HD12 LEU 65 HD12 LEU 65 5.954 6.524 3.436 478 HD13 LEU 65 HD13 LEU 65 6.508 5.357 2.237 479 HD21 LEU 65 HD21 LEU 65 7.215 6.110 0.511 480 HD22 LEU 65 HD22 LEU 65 6.760 7.637 -0.245 481 HD23 LEU 65 HD23 LEU 65 5.788 6.192 -0.522 482 H LEU 66 HN LEU 66 2.519 10.123 0.515 483 HA LEU 66 HA LEU 66 -0.093 9.051 -0.018 484 HB2 LEU 66 HB2 LEU 66 0.237 10.225 2.093 485 HB3 LEU 66 HB1 LEU 66 0.766 11.656 1.230 486 HG LEU 66 HG LEU 66 -1.942 10.647 0.572 487 HD11 LEU 66 HD11 LEU 66 -2.604 12.200 2.644 488 HD12 LEU 66 HD12 LEU 66 -1.120 11.491 3.282 489 HD13 LEU 66 HD13 LEU 66 -2.445 10.448 2.768 490 HD21 LEU 66 HD21 LEU 66 -0.661 12.753 -0.277 491 HD22 LEU 66 HD22 LEU 66 -1.185 13.453 1.254 492 HD23 LEU 66 HD23 LEU 66 -2.380 12.859 0.101 493 H MET 67 HN MET 67 2.157 11.478 -1.128 494 HA MET 67 HA MET 67 0.447 12.842 -2.919 495 HB2 MET 67 HB2 MET 67 3.163 12.985 -2.153 496 HB3 MET 67 HB1 MET 67 3.162 12.736 -3.893 497 HG2 MET 67 HG2 MET 67 1.438 14.644 -3.946 498 HG3 MET 67 HG1 MET 67 2.004 14.994 -2.314 499 HE1 MET 67 HE1 MET 67 3.735 17.843 -4.033 500 HE2 MET 67 HE2 MET 67 3.766 17.249 -2.373 501 HE3 MET 67 HE3 MET 67 2.252 17.257 -3.279 502 H ARG 68 HN ARG 68 2.643 10.086 -3.263 503 HA ARG 68 HA ARG 68 2.362 9.610 -5.987 504 HB2 ARG 68 HB2 ARG 68 3.050 7.982 -3.609 505 HB3 ARG 68 HB1 ARG 68 2.505 7.082 -5.016 506 HG2 ARG 68 HG2 ARG 68 4.973 7.350 -4.837 507 HG3 ARG 68 HG1 ARG 68 4.284 7.933 -6.350 508 HD2 ARG 68 HD2 ARG 68 4.243 10.131 -4.626 509 HD3 ARG 68 HD1 ARG 68 5.795 9.350 -4.339 510 HE ARG 68 HE ARG 68 5.172 9.697 -7.124 511 HH11 ARG 68 HH11 ARG 68 6.569 11.192 -4.296 512 HH12 ARG 68 HH12 ARG 68 7.558 12.283 -5.207 513 HH21 ARG 68 HH21 ARG 68 6.473 11.130 -8.323 514 HH22 ARG 68 HH22 ARG 68 7.503 12.248 -7.494 515 H ASP 69 HN ASP 69 0.319 8.716 -3.271 516 HA ASP 69 HA ASP 69 -1.543 7.114 -4.613 517 HB2 ASP 69 HB2 ASP 69 -1.340 7.262 -2.139 518 HB3 ASP 69 HB1 ASP 69 -2.026 8.882 -2.208 519 H ALA 70 HN ALA 70 -0.900 10.408 -4.910 520 HA ALA 70 HA ALA 70 -3.514 11.393 -5.452 521 HB1 ALA 70 HB1 ALA 70 -2.447 13.346 -6.320 522 HB2 ALA 70 HB2 ALA 70 -0.930 12.482 -6.570 523 HB3 ALA 70 HB3 ALA 70 -1.494 12.818 -4.933 524 H ILE 71 HN ILE 71 -0.852 10.138 -7.375 525 HA ILE 71 HA ILE 71 -2.459 10.112 -9.803 526 HB ILE 71 HB ILE 71 0.345 9.103 -9.300 527 HG12 ILE 71 HG12 ILE 71 0.693 11.189 -10.940 528 HG13 ILE 71 HG11 ILE 71 -0.773 11.730 -10.128 529 HG21 ILE 71 HG21 ILE 71 0.491 9.142 -11.806 530 HG22 ILE 71 HG22 ILE 71 -1.257 9.378 -11.836 531 HG23 ILE 71 HG23 ILE 71 -0.578 7.904 -11.145 532 HD11 ILE 71 HD11 ILE 71 0.392 12.362 -8.361 533 HD12 ILE 71 HD12 ILE 71 1.867 11.958 -9.240 534 HD13 ILE 71 HD13 ILE 71 1.103 10.756 -8.199 535 H ARG 72 HN ARG 72 -0.862 7.875 -7.564 536 HA ARG 72 HA ARG 72 -1.640 5.412 -8.614 537 HB2 ARG 72 HB2 ARG 72 -0.547 6.457 -6.165 538 HB3 ARG 72 HB1 ARG 72 -1.855 5.370 -5.742 539 HG2 ARG 72 HG2 ARG 72 -0.652 3.577 -6.223 540 HG3 ARG 72 HG1 ARG 72 -0.080 4.253 -7.743 541 HD2 ARG 72 HD2 ARG 72 1.057 5.465 -5.314 542 HD3 ARG 72 HD1 ARG 72 1.490 3.779 -5.583 543 HE ARG 72 HE ARG 72 1.893 5.173 -7.963 544 HH11 ARG 72 HH11 ARG 72 3.252 5.029 -4.772 545 HH12 ARG 72 HH12 ARG 72 4.824 5.521 -5.284 546 HH21 ARG 72 HH21 ARG 72 3.950 5.824 -8.648 547 HH22 ARG 72 HH22 ARG 72 5.221 5.981 -7.482 548 H GLY 73 HN GLY 73 -3.155 7.018 -5.805 549 HA2 GLY 73 HA2 GLY 73 -5.568 5.582 -5.918 550 HA3 GLY 73 HA1 GLY 73 -5.347 7.124 -5.108 Start of MODEL 7 1 H1 GLN 1 HN GLN 1 -20.041 9.377 -5.067 2 HA GLN 1 HA GLN 1 -18.900 7.487 -3.122 3 HB2 GLN 1 HB2 GLN 1 -20.531 5.857 -4.180 4 HB3 GLN 1 HB1 GLN 1 -21.243 7.164 -3.244 5 HG2 GLN 1 HG2 GLN 1 -22.347 7.958 -4.999 6 HG3 GLN 1 HG1 GLN 1 -20.929 7.858 -6.042 7 HE21 GLN 1 HE21 GLN 1 -23.877 7.086 -6.257 8 HE22 GLN 1 HE22 GLN 1 -23.830 5.483 -6.899 9 H ILE 2 HN ILE 2 -17.169 6.376 -3.722 10 HA ILE 2 HA ILE 2 -16.846 5.623 -6.533 11 HB ILE 2 HB ILE 2 -14.433 6.212 -6.447 12 HG12 ILE 2 HG12 ILE 2 -14.288 8.214 -4.551 13 HG13 ILE 2 HG11 ILE 2 -15.191 6.953 -3.716 14 HG21 ILE 2 HG21 ILE 2 -16.327 8.525 -6.051 15 HG22 ILE 2 HG22 ILE 2 -16.053 7.659 -7.563 16 HG23 ILE 2 HG23 ILE 2 -14.749 8.599 -6.836 17 HD11 ILE 2 HD11 ILE 2 -12.382 7.109 -4.335 18 HD12 ILE 2 HD12 ILE 2 -13.094 5.612 -4.937 19 HD13 ILE 2 HD13 ILE 2 -13.238 6.033 -3.231 20 H PHE 3 HN PHE 3 -14.656 4.242 -6.626 21 HA PHE 3 HA PHE 3 -15.188 1.903 -5.127 22 HB2 PHE 3 HB2 PHE 3 -13.225 2.756 -7.158 23 HB3 PHE 3 HB1 PHE 3 -12.672 1.482 -6.077 24 HD1 PHE 3 HD1 PHE 3 -13.614 -0.716 -6.161 25 HD2 PHE 3 HD2 PHE 3 -15.131 2.392 -8.641 26 HE1 PHE 3 HE1 PHE 3 -14.834 -2.383 -7.497 27 HE2 PHE 3 HE2 PHE 3 -16.356 0.730 -9.980 28 HZ PHE 3 HZ PHE 3 -16.208 -1.661 -9.409 29 H ASP 4 HN ASP 4 -14.464 1.235 -3.208 30 HA ASP 4 HA ASP 4 -12.788 2.989 -1.643 31 HB2 ASP 4 HB2 ASP 4 -14.504 0.631 -1.127 32 HB3 ASP 4 HB1 ASP 4 -13.125 0.828 -0.050 33 H SER 5 HN SER 5 -10.668 2.947 -2.032 34 HA SER 5 HA SER 5 -9.005 0.850 -1.349 35 HB2 SER 5 HB2 SER 5 -8.189 0.103 -3.591 36 HB3 SER 5 HB1 SER 5 -9.851 -0.386 -3.264 37 HG SER 5 HG SER 5 -10.555 1.333 -4.557 38 H SER 6 HN SER 6 -7.338 2.052 -0.691 39 HA SER 6 HA SER 6 -6.710 4.547 -1.968 40 HB2 SER 6 HB2 SER 6 -5.707 3.100 0.448 41 HB3 SER 6 HB1 SER 6 -4.711 4.375 -0.250 42 HG SER 6 HG SER 6 -6.084 5.241 1.314 43 H CYS 7 HN CYS 7 -5.987 1.487 -2.818 44 HA CYS 7 HA CYS 7 -3.544 2.520 -4.076 45 HB2 CYS 7 HB2 CYS 7 -3.585 -0.241 -4.508 46 HB3 CYS 7 HB1 CYS 7 -2.554 0.624 -3.381 47 H LYS 8 HN LYS 8 -3.573 2.680 -6.254 48 HA LYS 8 HA LYS 8 -5.817 1.415 -7.683 49 HB2 LYS 8 HB2 LYS 8 -5.079 4.281 -7.579 50 HB3 LYS 8 HB1 LYS 8 -5.463 3.646 -9.169 51 HG2 LYS 8 HG2 LYS 8 -7.531 2.653 -7.775 52 HG3 LYS 8 HG1 LYS 8 -7.212 4.120 -6.849 53 HD2 LYS 8 HD2 LYS 8 -8.495 5.133 -8.385 54 HD3 LYS 8 HD1 LYS 8 -7.068 5.033 -9.419 55 HE2 LYS 8 HE2 LYS 8 -9.044 2.783 -9.282 56 HE3 LYS 8 HE1 LYS 8 -9.322 4.174 -10.331 57 HZ1 LYS 8 HZ1 LYS 8 -7.020 3.699 -11.237 58 HZ2 LYS 8 HZ2 LYS 8 -8.238 2.603 -11.657 59 HZ3 LYS 8 HZ3 LYS 8 -7.120 2.203 -10.453 60 H GLY 9 HN GLY 9 -5.406 0.674 -9.711 61 HA2 GLY 9 HA2 GLY 9 -3.005 -0.398 -10.362 62 HA3 GLY 9 HA1 GLY 9 -4.202 0.047 -11.562 63 H VAL 10 HN VAL 10 -3.833 2.960 -10.698 64 HA VAL 10 HA VAL 10 -1.944 3.530 -12.678 65 HB VAL 10 HB VAL 10 -3.069 5.524 -10.753 66 HG11 VAL 10 HG11 VAL 10 -1.153 6.216 -12.213 67 HG12 VAL 10 HG12 VAL 10 -2.629 7.156 -12.434 68 HG13 VAL 10 HG13 VAL 10 -2.190 5.915 -13.608 69 HG21 VAL 10 HG21 VAL 10 -4.403 5.436 -13.310 70 HG22 VAL 10 HG22 VAL 10 -5.083 5.354 -11.685 71 HG23 VAL 10 HG23 VAL 10 -4.523 3.884 -12.482 72 H TYR 11 HN TYR 11 -1.746 4.364 -9.231 73 HA TYR 11 HA TYR 11 1.071 4.899 -9.699 74 HB2 TYR 11 HB2 TYR 11 -0.656 5.985 -7.831 75 HB3 TYR 11 HB1 TYR 11 0.283 4.834 -6.888 76 HD1 TYR 11 HD1 TYR 11 0.219 8.146 -7.604 77 HD2 TYR 11 HD2 TYR 11 2.906 4.859 -7.859 78 HE1 TYR 11 HE1 TYR 11 2.117 9.703 -7.561 79 HE2 TYR 11 HE2 TYR 11 4.813 6.408 -7.808 80 HH TYR 11 HH TYR 11 4.936 9.142 -6.748 81 H ASP 12 HN ASP 12 -1.114 2.531 -8.931 82 HA ASP 12 HA ASP 12 0.500 0.728 -7.447 83 HB2 ASP 12 HB2 ASP 12 -1.903 0.475 -7.605 84 HB3 ASP 12 HB1 ASP 12 -1.757 0.297 -9.341 85 H ARG 13 HN ARG 13 0.579 1.939 -10.494 86 HA ARG 13 HA ARG 13 1.647 -0.286 -11.864 87 HB2 ARG 13 HB2 ARG 13 0.445 1.956 -12.747 88 HB3 ARG 13 HB1 ARG 13 2.126 2.447 -12.903 89 HG2 ARG 13 HG2 ARG 13 2.592 0.674 -14.411 90 HG3 ARG 13 HG1 ARG 13 1.032 -0.087 -14.094 91 HD2 ARG 13 HD2 ARG 13 -0.108 1.383 -15.409 92 HD3 ARG 13 HD1 ARG 13 1.010 2.707 -15.085 93 HE ARG 13 HE ARG 13 2.150 2.123 -16.968 94 HH11 ARG 13 HH11 ARG 13 0.282 -0.634 -15.925 95 HH12 ARG 13 HH12 ARG 13 0.693 -1.593 -17.308 96 HH21 ARG 13 HH21 ARG 13 2.692 0.863 -18.787 97 HH22 ARG 13 HH22 ARG 13 2.061 -0.744 -18.932 98 H ALA 14 HN ALA 14 2.644 2.665 -10.394 99 HA ALA 14 HA ALA 14 5.481 2.255 -10.799 100 HB1 ALA 14 HB1 ALA 14 5.371 4.144 -8.870 101 HB2 ALA 14 HB2 ALA 14 3.769 4.332 -9.584 102 HB3 ALA 14 HB3 ALA 14 5.208 4.496 -10.590 103 H ILE 15 HN ILE 15 3.070 1.607 -8.390 104 HA ILE 15 HA ILE 15 4.953 0.862 -6.387 105 HB ILE 15 HB ILE 15 3.194 0.514 -4.978 106 HG12 ILE 15 HG12 ILE 15 0.806 0.103 -6.060 107 HG13 ILE 15 HG11 ILE 15 1.803 -0.582 -7.329 108 HG21 ILE 15 HG21 ILE 15 2.204 2.469 -4.976 109 HG22 ILE 15 HG22 ILE 15 1.338 2.110 -6.466 110 HG23 ILE 15 HG23 ILE 15 2.981 2.746 -6.533 111 HD11 ILE 15 HD11 ILE 15 2.207 -1.401 -4.491 112 HD12 ILE 15 HD12 ILE 15 2.581 -2.277 -5.974 113 HD13 ILE 15 HD13 ILE 15 0.907 -2.101 -5.453 114 H PHE 16 HN PHE 16 3.058 -0.657 -8.886 115 HA PHE 16 HA PHE 16 3.013 -3.288 -8.322 116 HB2 PHE 16 HB2 PHE 16 2.346 -2.201 -10.510 117 HB3 PHE 16 HB1 PHE 16 4.040 -2.274 -10.976 118 HD1 PHE 16 HD1 PHE 16 5.144 -4.630 -10.847 119 HD2 PHE 16 HD2 PHE 16 0.947 -3.951 -11.031 120 HE1 PHE 16 HE1 PHE 16 4.813 -6.923 -11.678 121 HE2 PHE 16 HE2 PHE 16 0.608 -6.242 -11.862 122 HZ PHE 16 HZ PHE 16 2.543 -7.731 -12.187 123 H ASN 17 HN ASN 17 5.766 -1.693 -9.867 124 HA ASN 17 HA ASN 17 7.471 -3.951 -9.298 125 HB2 ASN 17 HB2 ASN 17 7.593 -1.560 -10.993 126 HB3 ASN 17 HB1 ASN 17 9.137 -2.017 -10.279 127 HD21 ASN 17 HD21 ASN 17 6.541 -3.013 -12.377 128 HD22 ASN 17 HD22 ASN 17 7.396 -4.297 -13.153 129 H GLU 18 HN GLU 18 6.794 -0.877 -7.759 130 HA GLU 18 HA GLU 18 9.305 -0.920 -6.347 131 HB2 GLU 18 HB2 GLU 18 7.047 1.057 -6.503 132 HB3 GLU 18 HB1 GLU 18 8.358 1.218 -5.343 133 HG2 GLU 18 HG2 GLU 18 9.831 0.939 -7.520 134 HG3 GLU 18 HG1 GLU 18 8.372 1.563 -8.287 135 H LEU 19 HN LEU 19 5.894 -0.556 -5.471 136 HA LEU 19 HA LEU 19 6.538 -1.331 -2.842 137 HB2 LEU 19 HB2 LEU 19 3.854 -0.662 -3.927 138 HB3 LEU 19 HB1 LEU 19 4.382 -0.548 -2.257 139 HG LEU 19 HG LEU 19 5.157 1.220 -4.571 140 HD11 LEU 19 HD11 LEU 19 3.739 2.710 -3.717 141 HD12 LEU 19 HD12 LEU 19 4.322 2.441 -2.075 142 HD13 LEU 19 HD13 LEU 19 3.089 1.381 -2.755 143 HD21 LEU 19 HD21 LEU 19 6.346 2.326 -2.371 144 HD22 LEU 19 HD22 LEU 19 7.172 1.376 -3.606 145 HD23 LEU 19 HD23 LEU 19 6.628 0.603 -2.117 146 H GLU 20 HN GLU 20 4.383 -2.417 -5.360 147 HA GLU 20 HA GLU 20 3.087 -4.379 -4.201 148 HB2 GLU 20 HB2 GLU 20 3.608 -3.711 -6.816 149 HB3 GLU 20 HB1 GLU 20 4.086 -5.397 -6.718 150 HG2 GLU 20 HG2 GLU 20 1.563 -4.983 -5.406 151 HG3 GLU 20 HG1 GLU 20 1.514 -4.371 -7.058 152 H HIS 21 HN HIS 21 6.465 -4.562 -5.154 153 HA HIS 21 HA HIS 21 6.796 -7.331 -4.575 154 HB2 HIS 21 HB2 HIS 21 8.764 -5.043 -4.700 155 HB3 HIS 21 HB1 HIS 21 9.242 -6.697 -4.326 156 HD1 HIS 21 HD1 HIS 21 9.217 -4.507 -7.062 157 HD2 HIS 21 HD2 HIS 21 8.090 -8.478 -6.581 158 HE1 HIS 21 HE1 HIS 21 9.238 -5.496 -9.373 159 HE2 HIS 21 HE2 HIS 21 8.652 -7.924 -9.044 160 H VAL 22 HN VAL 22 7.304 -4.322 -2.787 161 HA VAL 22 HA VAL 22 8.289 -5.327 -0.394 162 HB VAL 22 HB VAL 22 6.263 -3.093 -0.628 163 HG11 VAL 22 HG11 VAL 22 6.604 -3.760 1.653 164 HG12 VAL 22 HG12 VAL 22 7.437 -2.229 1.385 165 HG13 VAL 22 HG13 VAL 22 8.355 -3.733 1.445 166 HG21 VAL 22 HG21 VAL 22 9.238 -3.104 -1.064 167 HG22 VAL 22 HG22 VAL 22 8.337 -1.636 -0.685 168 HG23 VAL 22 HG23 VAL 22 7.974 -2.539 -2.155 169 H CYS 23 HN CYS 23 5.104 -5.459 -1.774 170 HA CYS 23 HA CYS 23 3.631 -6.161 0.529 171 HB2 CYS 23 HB2 CYS 23 3.092 -5.777 -2.190 172 HB3 CYS 23 HB1 CYS 23 2.670 -7.456 -1.881 173 H ASN 24 HN ASN 24 5.119 -8.125 -2.044 174 HA ASN 24 HA ASN 24 4.520 -10.649 -1.068 175 HB2 ASN 24 HB2 ASN 24 6.361 -9.525 -2.984 176 HB3 ASN 24 HB1 ASN 24 7.170 -10.787 -2.058 177 HD21 ASN 24 HD21 ASN 24 6.738 -11.075 -4.738 178 HD22 ASN 24 HD22 ASN 24 5.559 -12.309 -5.010 179 H ASP 25 HN ASP 25 7.201 -8.475 -0.295 180 HA ASP 25 HA ASP 25 8.431 -10.203 1.604 181 HB2 ASP 25 HB2 ASP 25 8.585 -7.221 1.147 182 HB3 ASP 25 HB1 ASP 25 9.513 -8.037 2.402 183 H CYS 26 HN CYS 26 6.013 -7.632 1.811 184 HA CYS 26 HA CYS 26 5.838 -7.541 4.632 185 HB2 CYS 26 HB2 CYS 26 4.361 -6.452 2.342 186 HB3 CYS 26 HB1 CYS 26 3.350 -6.764 3.748 187 H TYR 27 HN TYR 27 4.289 -9.536 2.197 188 HA TYR 27 HA TYR 27 2.138 -10.584 3.551 189 HB2 TYR 27 HB2 TYR 27 3.138 -11.062 1.150 190 HB3 TYR 27 HB1 TYR 27 3.844 -12.454 1.963 191 HD1 TYR 27 HD1 TYR 27 0.628 -10.779 1.187 192 HD2 TYR 27 HD2 TYR 27 2.546 -14.366 2.432 193 HE1 TYR 27 HE1 TYR 27 -1.492 -11.996 0.924 194 HE2 TYR 27 HE2 TYR 27 0.432 -15.594 2.171 195 HH TYR 27 HH TYR 27 -1.668 -15.426 1.024 196 H ASN 28 HN ASN 28 5.519 -11.169 4.106 197 HA ASN 28 HA ASN 28 5.591 -13.593 5.375 198 HB2 ASN 28 HB2 ASN 28 7.499 -11.933 4.967 199 HB3 ASN 28 HB1 ASN 28 7.026 -11.187 6.491 200 HD21 ASN 28 HD21 ASN 28 7.078 -12.517 8.406 201 HD22 ASN 28 HD22 ASN 28 8.219 -13.810 8.513 202 H LEU 29 HN LEU 29 4.204 -10.614 6.526 203 HA LEU 29 HA LEU 29 3.610 -11.856 9.122 204 HB2 LEU 29 HB2 LEU 29 3.943 -9.053 8.192 205 HB3 LEU 29 HB1 LEU 29 2.782 -9.339 9.474 206 HG LEU 29 HG LEU 29 4.908 -8.708 10.430 207 HD11 LEU 29 HD11 LEU 29 3.447 -10.537 11.457 208 HD12 LEU 29 HD12 LEU 29 5.109 -10.398 12.030 209 HD13 LEU 29 HD13 LEU 29 4.675 -11.664 10.881 210 HD21 LEU 29 HD21 LEU 29 5.951 -10.863 8.641 211 HD22 LEU 29 HD22 LEU 29 6.806 -10.457 10.129 212 HD23 LEU 29 HD23 LEU 29 6.553 -9.225 8.893 213 H TYR 30 HN TYR 30 1.438 -11.469 10.016 214 HA TYR 30 HA TYR 30 -0.826 -11.636 9.924 215 HB2 TYR 30 HB2 TYR 30 -0.243 -9.847 7.600 216 HB3 TYR 30 HB1 TYR 30 -1.877 -10.469 7.807 217 HD1 TYR 30 HD1 TYR 30 -3.248 -9.764 9.686 218 HD2 TYR 30 HD2 TYR 30 0.700 -8.263 9.182 219 HE1 TYR 30 HE1 TYR 30 -3.721 -7.989 11.321 220 HE2 TYR 30 HE2 TYR 30 0.240 -6.485 10.816 221 HH TYR 30 HH TYR 30 -1.622 -5.316 11.791 222 H ARG 31 HN ARG 31 -2.205 -13.210 9.355 223 HA ARG 31 HA ARG 31 -1.560 -14.780 6.948 224 HB2 ARG 31 HB2 ARG 31 -2.373 -16.764 8.162 225 HB3 ARG 31 HB1 ARG 31 -0.997 -16.016 8.960 226 HG2 ARG 31 HG2 ARG 31 -3.675 -15.149 9.854 227 HG3 ARG 31 HG1 ARG 31 -3.192 -16.797 10.257 228 HD2 ARG 31 HD2 ARG 31 -1.410 -16.096 11.558 229 HD3 ARG 31 HD1 ARG 31 -1.313 -14.528 10.758 230 HE ARG 31 HE ARG 31 -2.867 -13.712 12.231 231 HH11 ARG 31 HH11 ARG 31 -2.838 -17.197 12.423 232 HH12 ARG 31 HH12 ARG 31 -3.865 -17.253 13.816 233 HH21 ARG 31 HH21 ARG 31 -4.221 -13.785 14.061 234 HH22 ARG 31 HH22 ARG 31 -4.652 -15.317 14.745 235 H THR 32 HN THR 32 -3.964 -13.013 8.608 236 HA THR 32 HA THR 32 -6.218 -14.345 7.411 237 HB THR 32 HB THR 32 -6.246 -13.196 9.655 238 HG1 THR 32 HG1 THR 32 -8.292 -11.902 8.493 239 HG21 THR 32 HG21 THR 32 -6.281 -10.716 7.959 240 HG22 THR 32 HG22 THR 32 -5.110 -11.144 9.206 241 HG23 THR 32 HG23 THR 32 -6.777 -10.780 9.650 242 H SER 33 HN SER 33 -7.877 -12.357 6.612 243 HA SER 33 HA SER 33 -6.735 -11.652 4.047 244 HB2 SER 33 HB2 SER 33 -9.204 -12.497 4.740 245 HB3 SER 33 HB1 SER 33 -9.475 -10.754 4.729 246 HG SER 33 HG SER 33 -9.182 -12.453 2.650 247 H HIS 34 HN HIS 34 -5.549 -10.238 6.177 248 HA HIS 34 HA HIS 34 -6.610 -7.523 5.818 249 HB2 HIS 34 HB2 HIS 34 -6.036 -8.781 8.166 250 HB3 HIS 34 HB1 HIS 34 -4.516 -7.951 7.853 251 HD1 HIS 34 HD1 HIS 34 -4.789 -6.233 9.713 252 HD2 HIS 34 HD2 HIS 34 -7.951 -6.258 7.016 253 HE1 HIS 34 HE1 HIS 34 -6.140 -4.179 10.242 254 HE2 HIS 34 HE2 HIS 34 -8.002 -4.172 8.545 255 H VAL 35 HN VAL 35 -3.812 -9.572 5.501 256 HA VAL 35 HA VAL 35 -2.093 -7.404 4.646 257 HB VAL 35 HB VAL 35 -1.124 -9.271 5.924 258 HG11 VAL 35 HG11 VAL 35 -0.866 -11.478 4.886 259 HG12 VAL 35 HG12 VAL 35 -1.861 -10.951 3.530 260 HG13 VAL 35 HG13 VAL 35 -2.561 -11.069 5.144 261 HG21 VAL 35 HG21 VAL 35 -0.068 -8.051 3.698 262 HG22 VAL 35 HG22 VAL 35 0.229 -9.762 3.390 263 HG23 VAL 35 HG23 VAL 35 0.830 -9.015 4.870 264 H ALA 36 HN ALA 36 -3.869 -10.118 3.304 265 HA ALA 36 HA ALA 36 -2.956 -9.681 0.606 266 HB1 ALA 36 HB1 ALA 36 -5.103 -11.426 1.793 267 HB2 ALA 36 HB2 ALA 36 -3.543 -11.914 1.131 268 HB3 ALA 36 HB3 ALA 36 -4.811 -11.321 0.057 269 H SER 37 HN SER 37 -6.012 -9.176 2.357 270 HA SER 37 HA SER 37 -7.262 -7.791 0.190 271 HB2 SER 37 HB2 SER 37 -8.261 -8.989 2.373 272 HB3 SER 37 HB1 SER 37 -8.195 -7.335 2.981 273 HG SER 37 HG SER 37 -9.787 -8.442 0.999 274 H GLY 38 HN GLY 38 -4.797 -6.976 2.239 275 HA2 GLY 38 HA2 GLY 38 -5.281 -4.097 1.867 276 HA3 GLY 38 HA1 GLY 38 -4.586 -4.739 3.354 277 H CYS 39 HN CYS 39 -3.791 -6.256 0.402 278 HA CYS 39 HA CYS 39 -1.021 -5.462 0.628 279 HB2 CYS 39 HB2 CYS 39 -2.131 -7.863 0.039 280 HB3 CYS 39 HB1 CYS 39 -1.860 -7.242 -1.583 281 H ARG 40 HN ARG 40 -3.481 -5.632 -1.960 282 HA ARG 40 HA ARG 40 -2.166 -3.293 -3.158 283 HB2 ARG 40 HB2 ARG 40 -3.151 -4.441 -5.368 284 HB3 ARG 40 HB1 ARG 40 -1.493 -4.568 -4.807 285 HG2 ARG 40 HG2 ARG 40 -3.189 -6.595 -3.610 286 HG3 ARG 40 HG1 ARG 40 -3.224 -6.660 -5.371 287 HD2 ARG 40 HD2 ARG 40 -0.539 -6.278 -4.716 288 HD3 ARG 40 HD1 ARG 40 -1.134 -7.448 -3.539 289 HE ARG 40 HE ARG 40 -1.102 -8.987 -5.207 290 HH11 ARG 40 HH11 ARG 40 -1.536 -5.845 -6.665 291 HH12 ARG 40 HH12 ARG 40 -1.544 -6.460 -8.284 292 HH21 ARG 40 HH21 ARG 40 -1.110 -9.795 -7.336 293 HH22 ARG 40 HH22 ARG 40 -1.301 -8.701 -8.665 294 H VAL 41 HN VAL 41 -4.791 -3.883 -1.594 295 HA VAL 41 HA VAL 41 -6.267 -1.893 -3.094 296 HB VAL 41 HB VAL 41 -7.228 -3.977 -3.968 297 HG11 VAL 41 HG11 VAL 41 -6.667 -5.367 -1.989 298 HG12 VAL 41 HG12 VAL 41 -8.323 -5.581 -2.557 299 HG13 VAL 41 HG13 VAL 41 -8.001 -4.605 -1.124 300 HG21 VAL 41 HG21 VAL 41 -9.494 -3.287 -2.316 301 HG22 VAL 41 HG22 VAL 41 -9.226 -3.001 -4.036 302 HG23 VAL 41 HG23 VAL 41 -8.626 -1.848 -2.846 303 H ASN 42 HN ASN 42 -7.340 -0.481 -1.669 304 HA ASN 42 HA ASN 42 -7.634 0.570 0.369 305 HB2 ASN 42 HB2 ASN 42 -8.513 -2.166 1.324 306 HB3 ASN 42 HB1 ASN 42 -8.977 -0.603 1.989 307 HD21 ASN 42 HD21 ASN 42 -11.123 -0.657 1.692 308 HD22 ASN 42 HD22 ASN 42 -11.898 -0.794 0.154 309 H CYS 43 HN CYS 43 -5.391 -1.269 -0.371 310 HA CYS 43 HA CYS 43 -4.080 -2.169 1.981 311 HB2 CYS 43 HB2 CYS 43 -2.530 -3.056 0.402 312 HB3 CYS 43 HB1 CYS 43 -4.113 -3.242 -0.325 313 H PHE 44 HN PHE 44 -3.745 0.300 -0.446 314 HA PHE 44 HA PHE 44 -1.291 0.970 -0.233 315 HB2 PHE 44 HB2 PHE 44 -3.192 2.164 -1.516 316 HB3 PHE 44 HB1 PHE 44 -3.093 3.320 -0.185 317 HD1 PHE 44 HD1 PHE 44 -0.500 1.368 -2.003 318 HD2 PHE 44 HD2 PHE 44 -1.971 5.208 -0.919 319 HE1 PHE 44 HE1 PHE 44 1.464 2.405 -3.056 320 HE2 PHE 44 HE2 PHE 44 -0.010 6.255 -1.972 321 HZ PHE 44 HZ PHE 44 1.708 4.857 -3.043 322 H GLU 45 HN GLU 45 -3.518 2.934 1.737 323 HA GLU 45 HA GLU 45 -1.309 3.699 3.430 324 HB2 GLU 45 HB2 GLU 45 -3.488 5.026 2.619 325 HB3 GLU 45 HB1 GLU 45 -4.068 4.451 4.176 326 HG2 GLU 45 HG2 GLU 45 -3.070 6.201 5.088 327 HG3 GLU 45 HG1 GLU 45 -1.530 5.432 4.708 328 H ASN 46 HN ASN 46 -4.506 2.347 4.154 329 HA ASN 46 HA ASN 46 -4.326 1.908 6.777 330 HB2 ASN 46 HB2 ASN 46 -6.005 1.051 4.785 331 HB3 ASN 46 HB1 ASN 46 -5.408 -0.463 5.458 332 HD21 ASN 46 HD21 ASN 46 -5.056 0.356 8.107 333 HD22 ASN 46 HD22 ASN 46 -6.612 0.643 8.801 334 H HIS 47 HN HIS 47 -3.396 -0.793 4.562 335 HA HIS 47 HA HIS 47 -1.738 -1.732 6.806 336 HB2 HIS 47 HB2 HIS 47 -3.755 -3.025 5.302 337 HB3 HIS 47 HB1 HIS 47 -2.233 -3.847 4.979 338 HD1 HIS 47 HD1 HIS 47 -3.551 -2.378 8.233 339 HD2 HIS 47 HD2 HIS 47 -2.274 -5.992 6.628 340 HE1 HIS 47 HE1 HIS 47 -3.574 -4.009 10.147 341 HE2 HIS 47 HE2 HIS 47 -2.884 -6.209 9.132 342 H VAL 48 HN VAL 48 -1.698 -1.710 3.202 343 HA VAL 48 HA VAL 48 0.850 -2.889 3.195 344 HB VAL 48 HB VAL 48 -0.914 -2.664 1.229 345 HG11 VAL 48 HG11 VAL 48 -0.705 -0.909 -0.192 346 HG12 VAL 48 HG12 VAL 48 1.024 -0.737 0.093 347 HG13 VAL 48 HG13 VAL 48 -0.130 -0.077 1.248 348 HG21 VAL 48 HG21 VAL 48 0.994 -4.125 1.191 349 HG22 VAL 48 HG22 VAL 48 2.082 -2.772 0.885 350 HG23 VAL 48 HG23 VAL 48 0.909 -3.252 -0.340 351 H PHE 49 HN PHE 49 -0.020 0.232 4.002 352 HA PHE 49 HA PHE 49 2.760 1.085 3.578 353 HB2 PHE 49 HB2 PHE 49 0.220 2.630 3.442 354 HB3 PHE 49 HB1 PHE 49 1.634 3.436 4.101 355 HD1 PHE 49 HD1 PHE 49 1.838 5.037 2.348 356 HD2 PHE 49 HD2 PHE 49 1.859 0.873 1.465 357 HE1 PHE 49 HE1 PHE 49 2.658 5.516 0.080 358 HE2 PHE 49 HE2 PHE 49 2.683 1.348 -0.809 359 HZ PHE 49 HZ PHE 49 3.077 3.685 -1.493 360 H ASP 50 HN ASP 50 0.323 0.300 5.841 361 HA ASP 50 HA ASP 50 1.544 1.703 8.040 362 HB2 ASP 50 HB2 ASP 50 -0.898 1.269 7.972 363 HB3 ASP 50 HB1 ASP 50 -0.559 -0.461 7.989 364 H ASP 51 HN ASP 51 1.343 -1.464 6.551 365 HA ASP 51 HA ASP 51 2.950 -2.606 8.622 366 HB2 ASP 51 HB2 ASP 51 1.008 -3.649 7.066 367 HB3 ASP 51 HB1 ASP 51 2.442 -4.206 6.208 368 H CYS 52 HN CYS 52 3.331 -1.694 5.253 369 HA CYS 52 HA CYS 52 5.979 -2.845 5.152 370 HB2 CYS 52 HB2 CYS 52 4.515 -1.228 3.075 371 HB3 CYS 52 HB1 CYS 52 6.028 -2.088 2.827 372 H VAL 53 HN VAL 53 4.687 0.464 4.879 373 HA VAL 53 HA VAL 53 7.313 1.552 4.743 374 HB VAL 53 HB VAL 53 6.393 3.586 4.439 375 HG11 VAL 53 HG11 VAL 53 4.826 1.551 3.364 376 HG12 VAL 53 HG12 VAL 53 4.970 3.212 2.802 377 HG13 VAL 53 HG13 VAL 53 3.701 2.778 3.941 378 HG21 VAL 53 HG21 VAL 53 4.681 2.914 6.724 379 HG22 VAL 53 HG22 VAL 53 3.964 4.007 5.543 380 HG23 VAL 53 HG23 VAL 53 5.493 4.424 6.314 381 H TYR 54 HN TYR 54 5.159 0.750 7.354 382 HA TYR 54 HA TYR 54 6.483 2.375 9.254 383 HB2 TYR 54 HB2 TYR 54 4.091 1.433 9.364 384 HB3 TYR 54 HB1 TYR 54 4.856 -0.010 10.024 385 HD1 TYR 54 HD1 TYR 54 3.854 3.421 10.662 386 HD2 TYR 54 HD2 TYR 54 6.038 0.109 12.200 387 HE1 TYR 54 HE1 TYR 54 3.841 4.456 12.891 388 HE2 TYR 54 HE2 TYR 54 6.030 1.135 14.435 389 HH TYR 54 HH TYR 54 4.081 3.857 15.202 390 H GLU 55 HN GLU 55 7.266 -0.685 7.965 391 HA GLU 55 HA GLU 55 9.359 -0.851 10.021 392 HB2 GLU 55 HB2 GLU 55 7.793 -3.201 8.954 393 HB3 GLU 55 HB1 GLU 55 9.143 -3.291 10.078 394 HG2 GLU 55 HG2 GLU 55 6.797 -1.614 10.799 395 HG3 GLU 55 HG1 GLU 55 6.660 -3.368 10.915 396 H LEU 56 HN LEU 56 8.494 -1.064 6.692 397 HA LEU 56 HA LEU 56 11.086 -2.322 6.093 398 HB2 LEU 56 HB2 LEU 56 9.037 -1.702 4.013 399 HB3 LEU 56 HB1 LEU 56 10.293 -2.923 3.997 400 HG LEU 56 HG LEU 56 7.634 -2.973 5.346 401 HD11 LEU 56 HD11 LEU 56 8.118 -5.452 4.416 402 HD12 LEU 56 HD12 LEU 56 9.088 -4.496 3.296 403 HD13 LEU 56 HD13 LEU 56 7.363 -4.173 3.465 404 HD21 LEU 56 HD21 LEU 56 8.708 -5.210 6.336 405 HD22 LEU 56 HD22 LEU 56 8.690 -3.685 7.222 406 HD23 LEU 56 HD23 LEU 56 10.140 -4.180 6.348 407 H LEU 57 HN LEU 57 9.229 0.259 4.453 408 HA LEU 57 HA LEU 57 11.712 1.297 3.408 409 HB2 LEU 57 HB2 LEU 57 9.060 1.212 2.539 410 HB3 LEU 57 HB1 LEU 57 9.429 2.912 2.754 411 HG LEU 57 HG LEU 57 9.909 2.358 0.488 412 HD11 LEU 57 HD11 LEU 57 12.692 2.228 1.396 413 HD12 LEU 57 HD12 LEU 57 11.735 3.510 2.139 414 HD13 LEU 57 HD13 LEU 57 11.879 3.421 0.384 415 HD21 LEU 57 HD21 LEU 57 11.132 0.518 -0.249 416 HD22 LEU 57 HD22 LEU 57 10.148 -0.135 1.061 417 HD23 LEU 57 HD23 LEU 57 11.849 0.238 1.337 418 H LEU 58 HN LEU 58 8.972 2.967 4.956 419 HA LEU 58 HA LEU 58 10.815 4.547 6.550 420 HB2 LEU 58 HB2 LEU 58 9.047 6.383 5.166 421 HB3 LEU 58 HB1 LEU 58 10.777 6.471 5.415 422 HG LEU 58 HG LEU 58 10.823 4.718 3.436 423 HD11 LEU 58 HD11 LEU 58 9.048 4.697 1.999 424 HD12 LEU 58 HD12 LEU 58 8.462 6.274 2.527 425 HD13 LEU 58 HD13 LEU 58 8.197 4.852 3.536 426 HD21 LEU 58 HD21 LEU 58 11.448 7.325 3.693 427 HD22 LEU 58 HD22 LEU 58 10.205 7.415 2.445 428 HD23 LEU 58 HD23 LEU 58 11.633 6.410 2.197 429 H HIS 59 HN HIS 59 9.874 4.131 8.414 430 HA HIS 59 HA HIS 59 7.116 3.801 8.814 431 HB2 HIS 59 HB2 HIS 59 7.627 3.641 11.149 432 HB3 HIS 59 HB1 HIS 59 8.917 2.854 10.243 433 HD1 HIS 59 HD1 HIS 59 11.145 4.381 9.934 434 HD2 HIS 59 HD2 HIS 59 8.483 5.530 12.910 435 HE1 HIS 59 HE1 HIS 59 12.448 5.909 11.448 436 HE2 HIS 59 HE2 HIS 59 10.841 6.523 13.289 437 H ASN 60 HN ASN 60 8.953 6.689 8.576 438 HA ASN 60 HA ASN 60 6.696 8.196 9.694 439 HB2 ASN 60 HB2 ASN 60 9.290 8.288 10.602 440 HB3 ASN 60 HB1 ASN 60 9.248 9.635 9.470 441 HD21 ASN 60 HD21 ASN 60 8.098 8.376 12.470 442 HD22 ASN 60 HD22 ASN 60 7.324 9.818 13.022 443 HA PRO 61 HA PRO 61 8.337 10.496 5.799 444 HB2 PRO 61 HB2 PRO 61 9.842 8.380 4.407 445 HB3 PRO 61 HB1 PRO 61 10.245 10.086 4.622 446 HG2 PRO 61 HG2 PRO 61 11.538 8.182 5.980 447 HG3 PRO 61 HG1 PRO 61 11.147 9.744 6.726 448 HD2 PRO 61 HD2 PRO 61 9.770 7.103 7.034 449 HD3 PRO 61 HD1 PRO 61 10.162 8.317 8.268 450 H GLU 62 HN GLU 62 5.982 9.382 6.080 451 HA GLU 62 HA GLU 62 5.385 7.649 3.832 452 HB2 GLU 62 HB2 GLU 62 4.346 7.601 6.269 453 HB3 GLU 62 HB1 GLU 62 3.268 8.815 5.594 454 HG2 GLU 62 HG2 GLU 62 3.415 6.685 3.742 455 HG3 GLU 62 HG1 GLU 62 3.157 5.986 5.340 456 H GLU 63 HN GLU 63 5.937 10.808 4.253 457 HA GLU 63 HA GLU 63 3.973 12.384 3.258 458 HB2 GLU 63 HB2 GLU 63 6.865 12.391 3.246 459 HB3 GLU 63 HB1 GLU 63 6.214 13.200 1.832 460 HG2 GLU 63 HG2 GLU 63 4.944 14.709 3.215 461 HG3 GLU 63 HG1 GLU 63 5.436 13.842 4.669 462 H VAL 64 HN VAL 64 6.501 11.413 0.971 463 HA VAL 64 HA VAL 64 4.853 11.721 -1.289 464 HB VAL 64 HB VAL 64 6.634 10.382 -2.484 465 HG11 VAL 64 HG11 VAL 64 7.910 12.254 -2.733 466 HG12 VAL 64 HG12 VAL 64 8.010 12.553 -0.997 467 HG13 VAL 64 HG13 VAL 64 6.540 12.967 -1.880 468 HG21 VAL 64 HG21 VAL 64 8.609 9.744 -1.369 469 HG22 VAL 64 HG22 VAL 64 7.292 9.159 -0.353 470 HG23 VAL 64 HG23 VAL 64 8.166 10.624 0.093 471 H LEU 65 HN LEU 65 4.763 9.395 1.063 472 HA LEU 65 HA LEU 65 4.011 7.196 -0.690 473 HB2 LEU 65 HB2 LEU 65 4.489 7.554 2.220 474 HB3 LEU 65 HB1 LEU 65 3.333 6.326 1.763 475 HG LEU 65 HG LEU 65 4.961 5.032 0.672 476 HD11 LEU 65 HD11 LEU 65 6.579 7.554 0.625 477 HD12 LEU 65 HD12 LEU 65 6.113 6.505 -0.714 478 HD13 LEU 65 HD13 LEU 65 7.343 5.976 0.434 479 HD21 LEU 65 HD21 LEU 65 5.128 5.182 3.192 480 HD22 LEU 65 HD22 LEU 65 6.518 6.237 2.943 481 HD23 LEU 65 HD23 LEU 65 6.555 4.576 2.351 482 H LEU 66 HN LEU 66 2.755 9.865 0.962 483 HA LEU 66 HA LEU 66 0.047 8.939 0.960 484 HB2 LEU 66 HB2 LEU 66 1.434 10.792 2.477 485 HB3 LEU 66 HB1 LEU 66 0.441 11.788 1.430 486 HG LEU 66 HG LEU 66 -0.876 9.539 2.869 487 HD11 LEU 66 HD11 LEU 66 0.721 11.117 4.352 488 HD12 LEU 66 HD12 LEU 66 -0.796 10.434 4.935 489 HD13 LEU 66 HD13 LEU 66 -0.749 12.091 4.334 490 HD21 LEU 66 HD21 LEU 66 -2.114 10.913 1.267 491 HD22 LEU 66 HD22 LEU 66 -1.714 12.357 2.197 492 HD23 LEU 66 HD23 LEU 66 -2.738 11.108 2.904 493 H MET 67 HN MET 67 2.207 11.012 -0.823 494 HA MET 67 HA MET 67 0.328 12.313 -2.475 495 HB2 MET 67 HB2 MET 67 2.926 12.680 -2.137 496 HB3 MET 67 HB1 MET 67 3.041 11.582 -3.506 497 HG2 MET 67 HG2 MET 67 2.255 13.102 -4.970 498 HG3 MET 67 HG1 MET 67 1.147 13.818 -3.800 499 HE1 MET 67 HE1 MET 67 3.655 16.263 -5.568 500 HE2 MET 67 HE2 MET 67 3.103 14.665 -6.071 501 HE3 MET 67 HE3 MET 67 4.777 14.903 -5.572 502 H ARG 68 HN ARG 68 2.210 9.324 -2.861 503 HA ARG 68 HA ARG 68 1.335 8.589 -5.398 504 HB2 ARG 68 HB2 ARG 68 1.948 6.818 -3.023 505 HB3 ARG 68 HB1 ARG 68 1.783 6.247 -4.678 506 HG2 ARG 68 HG2 ARG 68 3.760 7.260 -5.356 507 HG3 ARG 68 HG1 ARG 68 3.781 8.361 -3.979 508 HD2 ARG 68 HD2 ARG 68 4.583 6.758 -2.537 509 HD3 ARG 68 HD1 ARG 68 3.924 5.426 -3.485 510 HE ARG 68 HE ARG 68 5.837 5.412 -4.762 511 HH11 ARG 68 HH11 ARG 68 5.799 8.274 -2.761 512 HH12 ARG 68 HH12 ARG 68 7.446 8.683 -3.101 513 HH21 ARG 68 HH21 ARG 68 8.003 5.951 -5.207 514 HH22 ARG 68 HH22 ARG 68 8.697 7.366 -4.489 515 H ASP 69 HN ASP 69 -0.195 8.391 -2.289 516 HA ASP 69 HA ASP 69 -2.374 6.730 -2.956 517 HB2 ASP 69 HB2 ASP 69 -1.505 7.493 -0.622 518 HB3 ASP 69 HB1 ASP 69 -2.534 8.899 -0.879 519 H ALA 70 HN ALA 70 -1.586 9.907 -3.819 520 HA ALA 70 HA ALA 70 -4.193 11.013 -4.077 521 HB1 ALA 70 HB1 ALA 70 -1.949 12.260 -4.079 522 HB2 ALA 70 HB2 ALA 70 -3.176 12.795 -5.227 523 HB3 ALA 70 HB3 ALA 70 -1.834 11.791 -5.775 524 H ILE 71 HN ILE 71 -2.076 9.059 -6.032 525 HA ILE 71 HA ILE 71 -4.033 8.983 -8.213 526 HB ILE 71 HB ILE 71 -1.301 7.716 -8.181 527 HG12 ILE 71 HG12 ILE 71 -2.106 10.444 -9.210 528 HG13 ILE 71 HG11 ILE 71 -1.048 10.124 -7.839 529 HG21 ILE 71 HG21 ILE 71 -1.671 7.108 -10.310 530 HG22 ILE 71 HG22 ILE 71 -2.518 8.605 -10.697 531 HG23 ILE 71 HG23 ILE 71 -3.370 7.296 -9.879 532 HD11 ILE 71 HD11 ILE 71 -0.250 10.595 -10.412 533 HD12 ILE 71 HD12 ILE 71 -0.158 8.838 -10.290 534 HD13 ILE 71 HD13 ILE 71 0.728 9.848 -9.148 535 H ARG 72 HN ARG 72 -2.094 6.817 -6.123 536 HA ARG 72 HA ARG 72 -3.346 4.427 -6.890 537 HB2 ARG 72 HB2 ARG 72 -1.531 5.335 -4.791 538 HB3 ARG 72 HB1 ARG 72 -2.625 4.086 -4.223 539 HG2 ARG 72 HG2 ARG 72 -1.740 3.140 -6.671 540 HG3 ARG 72 HG1 ARG 72 -0.323 3.895 -5.949 541 HD2 ARG 72 HD2 ARG 72 -0.034 2.120 -4.669 542 HD3 ARG 72 HD1 ARG 72 -1.591 2.436 -3.910 543 HE ARG 72 HE ARG 72 -2.325 1.105 -6.096 544 HH11 ARG 72 HH11 ARG 72 0.150 0.444 -3.721 545 HH12 ARG 72 HH12 ARG 72 0.014 -1.275 -3.872 546 HH21 ARG 72 HH21 ARG 72 -2.528 -1.165 -6.264 547 HH22 ARG 72 HH22 ARG 72 -1.498 -2.187 -5.319 548 H GLY 73 HN GLY 73 -3.980 6.694 -4.230 549 HA2 GLY 73 HA2 GLY 73 -6.549 5.320 -3.755 550 HA3 GLY 73 HA1 GLY 73 -5.709 6.312 -2.574 Start of MODEL 8 1 H1 GLN 1 HN GLN 1 -17.398 4.991 3.322 2 HA GLN 1 HA GLN 1 -19.388 5.047 1.175 3 HB2 GLN 1 HB2 GLN 1 -16.645 6.313 1.210 4 HB3 GLN 1 HB1 GLN 1 -17.944 6.627 0.067 5 HG2 GLN 1 HG2 GLN 1 -19.237 7.297 2.270 6 HG3 GLN 1 HG1 GLN 1 -17.597 7.568 2.857 7 HE21 GLN 1 HE21 GLN 1 -20.119 8.686 0.817 8 HE22 GLN 1 HE22 GLN 1 -19.344 10.132 0.276 9 H ILE 2 HN ILE 2 -19.222 3.863 -0.645 10 HA ILE 2 HA ILE 2 -17.307 1.711 -0.689 11 HB ILE 2 HB ILE 2 -18.480 1.074 -2.820 12 HG12 ILE 2 HG12 ILE 2 -20.716 2.901 -2.193 13 HG13 ILE 2 HG11 ILE 2 -19.293 3.667 -2.893 14 HG21 ILE 2 HG21 ILE 2 -19.153 0.594 -0.274 15 HG22 ILE 2 HG22 ILE 2 -20.051 -0.055 -1.647 16 HG23 ILE 2 HG23 ILE 2 -20.629 1.391 -0.818 17 HD11 ILE 2 HD11 ILE 2 -20.460 3.165 -4.779 18 HD12 ILE 2 HD12 ILE 2 -21.177 1.711 -4.084 19 HD13 ILE 2 HD13 ILE 2 -19.497 1.696 -4.619 20 H PHE 3 HN PHE 3 -16.446 1.178 -3.037 21 HA PHE 3 HA PHE 3 -14.892 1.659 -4.625 22 HB2 PHE 3 HB2 PHE 3 -16.837 3.838 -4.742 23 HB3 PHE 3 HB1 PHE 3 -15.248 4.311 -5.335 24 HD1 PHE 3 HD1 PHE 3 -18.285 3.235 -6.400 25 HD2 PHE 3 HD2 PHE 3 -14.170 2.230 -6.803 26 HE1 PHE 3 HE1 PHE 3 -18.768 2.141 -8.550 27 HE2 PHE 3 HE2 PHE 3 -14.644 1.135 -8.954 28 HZ PHE 3 HZ PHE 3 -16.945 1.089 -9.831 29 H ASP 4 HN ASP 4 -13.368 1.495 -2.781 30 HA ASP 4 HA ASP 4 -11.888 4.017 -2.489 31 HB2 ASP 4 HB2 ASP 4 -11.347 3.381 -0.144 32 HB3 ASP 4 HB1 ASP 4 -13.060 3.702 -0.395 33 H SER 5 HN SER 5 -9.782 3.865 -2.914 34 HA SER 5 HA SER 5 -8.153 1.644 -2.359 35 HB2 SER 5 HB2 SER 5 -7.767 0.713 -4.544 36 HB3 SER 5 HB1 SER 5 -9.505 0.683 -4.248 37 HG SER 5 HG SER 5 -8.174 1.873 -6.232 38 H SER 6 HN SER 6 -6.440 2.836 -1.782 39 HA SER 6 HA SER 6 -5.742 5.232 -3.221 40 HB2 SER 6 HB2 SER 6 -4.545 3.847 -0.828 41 HB3 SER 6 HB1 SER 6 -3.766 5.237 -1.584 42 HG SER 6 HG SER 6 -5.900 6.290 -1.268 43 H CYS 7 HN CYS 7 -4.839 1.950 -3.479 44 HA CYS 7 HA CYS 7 -2.561 2.893 -5.073 45 HB2 CYS 7 HB2 CYS 7 -2.382 0.235 -5.375 46 HB3 CYS 7 HB1 CYS 7 -1.707 1.038 -3.965 47 H LYS 8 HN LYS 8 -2.760 2.964 -7.247 48 HA LYS 8 HA LYS 8 -5.091 1.597 -8.429 49 HB2 LYS 8 HB2 LYS 8 -5.485 4.020 -8.378 50 HB3 LYS 8 HB1 LYS 8 -3.966 4.289 -9.225 51 HG2 LYS 8 HG2 LYS 8 -5.033 4.132 -11.153 52 HG3 LYS 8 HG1 LYS 8 -5.455 2.462 -10.772 53 HD2 LYS 8 HD2 LYS 8 -7.594 3.003 -10.456 54 HD3 LYS 8 HD1 LYS 8 -7.160 4.302 -9.344 55 HE2 LYS 8 HE2 LYS 8 -8.253 5.430 -11.048 56 HE3 LYS 8 HE1 LYS 8 -6.555 5.616 -11.485 57 HZ1 LYS 8 HZ1 LYS 8 -7.159 3.357 -12.759 58 HZ2 LYS 8 HZ2 LYS 8 -7.288 4.888 -13.465 59 HZ3 LYS 8 HZ3 LYS 8 -8.660 4.136 -12.822 60 H GLY 9 HN GLY 9 -4.750 0.589 -10.376 61 HA2 GLY 9 HA2 GLY 9 -2.369 -0.600 -10.892 62 HA3 GLY 9 HA1 GLY 9 -3.559 -0.280 -12.144 63 H VAL 10 HN VAL 10 -3.148 2.719 -11.615 64 HA VAL 10 HA VAL 10 -1.103 2.972 -13.551 65 HB VAL 10 HB VAL 10 -2.438 5.282 -12.229 66 HG11 VAL 10 HG11 VAL 10 -1.765 5.201 -15.119 67 HG12 VAL 10 HG12 VAL 10 -0.433 5.336 -13.972 68 HG13 VAL 10 HG13 VAL 10 -1.716 6.546 -13.978 69 HG21 VAL 10 HG21 VAL 10 -3.489 3.619 -14.522 70 HG22 VAL 10 HG22 VAL 10 -4.160 5.162 -13.995 71 HG23 VAL 10 HG23 VAL 10 -4.204 3.768 -12.917 72 H TYR 11 HN TYR 11 -1.405 4.657 -10.467 73 HA TYR 11 HA TYR 11 1.399 5.294 -10.691 74 HB2 TYR 11 HB2 TYR 11 -0.682 6.570 -9.415 75 HB3 TYR 11 HB1 TYR 11 0.190 5.830 -8.084 76 HD1 TYR 11 HD1 TYR 11 1.551 7.402 -7.045 77 HD2 TYR 11 HD2 TYR 11 1.294 7.369 -11.293 78 HE1 TYR 11 HE1 TYR 11 3.251 9.178 -7.162 79 HE2 TYR 11 HE2 TYR 11 2.987 9.146 -11.416 80 HH TYR 11 HH TYR 11 3.795 11.087 -9.040 81 H ASP 12 HN ASP 12 -0.618 2.897 -9.628 82 HA ASP 12 HA ASP 12 1.374 1.756 -7.817 83 HB2 ASP 12 HB2 ASP 12 -1.266 1.775 -7.579 84 HB3 ASP 12 HB1 ASP 12 -1.097 0.306 -8.536 85 H ARG 13 HN ARG 13 1.075 2.053 -10.946 86 HA ARG 13 HA ARG 13 1.380 -0.624 -11.887 87 HB2 ARG 13 HB2 ARG 13 0.683 1.568 -13.214 88 HB3 ARG 13 HB1 ARG 13 2.417 1.762 -13.382 89 HG2 ARG 13 HG2 ARG 13 1.560 0.674 -15.333 90 HG3 ARG 13 HG1 ARG 13 2.539 -0.474 -14.419 91 HD2 ARG 13 HD2 ARG 13 0.755 -1.814 -14.790 92 HD3 ARG 13 HD1 ARG 13 0.146 -1.004 -13.349 93 HE ARG 13 HE ARG 13 -0.739 0.592 -15.322 94 HH11 ARG 13 HH11 ARG 13 -0.913 -2.863 -14.848 95 HH12 ARG 13 HH12 ARG 13 -2.397 -3.033 -15.724 96 HH21 ARG 13 HH21 ARG 13 -2.691 0.368 -16.473 97 HH22 ARG 13 HH22 ARG 13 -3.406 -1.200 -16.646 98 H ALA 14 HN ALA 14 3.225 2.081 -10.845 99 HA ALA 14 HA ALA 14 5.818 0.873 -11.386 100 HB1 ALA 14 HB1 ALA 14 5.650 3.189 -9.561 101 HB2 ALA 14 HB2 ALA 14 5.047 3.456 -11.196 102 HB3 ALA 14 HB3 ALA 14 6.706 2.911 -10.946 103 H ILE 15 HN ILE 15 3.547 1.274 -8.816 104 HA ILE 15 HA ILE 15 5.201 0.409 -6.700 105 HB ILE 15 HB ILE 15 2.225 0.718 -6.975 106 HG12 ILE 15 HG12 ILE 15 2.649 2.890 -6.640 107 HG13 ILE 15 HG11 ILE 15 3.248 2.483 -5.040 108 HG21 ILE 15 HG21 ILE 15 3.472 -0.856 -5.090 109 HG22 ILE 15 HG22 ILE 15 1.831 -0.224 -5.023 110 HG23 ILE 15 HG23 ILE 15 3.144 0.660 -4.252 111 HD11 ILE 15 HD11 ILE 15 4.803 2.898 -7.569 112 HD12 ILE 15 HD12 ILE 15 5.499 2.078 -6.175 113 HD13 ILE 15 HD13 ILE 15 4.955 3.739 -6.031 114 H PHE 16 HN PHE 16 2.899 -1.038 -8.908 115 HA PHE 16 HA PHE 16 2.460 -3.508 -7.817 116 HB2 PHE 16 HB2 PHE 16 1.976 -2.382 -10.263 117 HB3 PHE 16 HB1 PHE 16 3.167 -3.608 -10.677 118 HD1 PHE 16 HD1 PHE 16 -0.082 -3.119 -8.952 119 HD2 PHE 16 HD2 PHE 16 2.538 -5.831 -10.925 120 HE1 PHE 16 HE1 PHE 16 -1.846 -4.833 -8.930 121 HE2 PHE 16 HE2 PHE 16 0.778 -7.550 -10.908 122 HZ PHE 16 HZ PHE 16 -1.418 -7.052 -9.910 123 H ASN 17 HN ASN 17 5.160 -2.539 -9.878 124 HA ASN 17 HA ASN 17 6.581 -4.987 -9.304 125 HB2 ASN 17 HB2 ASN 17 7.132 -2.616 -11.061 126 HB3 ASN 17 HB1 ASN 17 8.368 -3.830 -10.748 127 HD21 ASN 17 HD21 ASN 17 4.935 -3.670 -11.638 128 HD22 ASN 17 HD22 ASN 17 5.016 -4.907 -12.842 129 H GLU 18 HN GLU 18 6.535 -1.760 -7.941 130 HA GLU 18 HA GLU 18 9.207 -2.065 -6.908 131 HB2 GLU 18 HB2 GLU 18 8.385 0.091 -7.914 132 HB3 GLU 18 HB1 GLU 18 7.321 0.250 -6.524 133 HG2 GLU 18 HG2 GLU 18 9.236 0.287 -5.034 134 HG3 GLU 18 HG1 GLU 18 10.323 0.067 -6.405 135 H LEU 19 HN LEU 19 6.062 -1.075 -5.619 136 HA LEU 19 HA LEU 19 6.978 -1.836 -3.045 137 HB2 LEU 19 HB2 LEU 19 4.299 -0.752 -3.653 138 HB3 LEU 19 HB1 LEU 19 5.220 -0.579 -2.177 139 HG LEU 19 HG LEU 19 5.715 0.783 -4.820 140 HD11 LEU 19 HD11 LEU 19 5.529 2.334 -2.333 141 HD12 LEU 19 HD12 LEU 19 4.042 1.512 -2.801 142 HD13 LEU 19 HD13 LEU 19 4.817 2.636 -3.917 143 HD21 LEU 19 HD21 LEU 19 7.372 1.103 -2.327 144 HD22 LEU 19 HD22 LEU 19 7.695 1.732 -3.943 145 HD23 LEU 19 HD23 LEU 19 7.808 -0.001 -3.632 146 H GLU 20 HN GLU 20 4.415 -2.698 -5.225 147 HA GLU 20 HA GLU 20 2.891 -4.250 -3.746 148 HB2 GLU 20 HB2 GLU 20 3.412 -4.043 -6.483 149 HB3 GLU 20 HB1 GLU 20 3.299 -5.756 -6.122 150 HG2 GLU 20 HG2 GLU 20 1.135 -5.024 -6.726 151 HG3 GLU 20 HG1 GLU 20 1.124 -5.259 -4.978 152 H HIS 21 HN HIS 21 6.099 -5.220 -4.889 153 HA HIS 21 HA HIS 21 5.805 -7.902 -3.915 154 HB2 HIS 21 HB2 HIS 21 8.177 -8.179 -4.243 155 HB3 HIS 21 HB1 HIS 21 7.488 -7.383 -5.654 156 HD1 HIS 21 HD1 HIS 21 9.153 -6.240 -2.412 157 HD2 HIS 21 HD2 HIS 21 9.087 -5.381 -6.473 158 HE1 HIS 21 HE1 HIS 21 10.825 -4.391 -2.734 159 HE2 HIS 21 HE2 HIS 21 10.824 -3.940 -5.212 160 H VAL 22 HN VAL 22 6.976 -4.839 -2.669 161 HA VAL 22 HA VAL 22 8.208 -5.698 -0.320 162 HB VAL 22 HB VAL 22 6.408 -3.275 -0.573 163 HG11 VAL 22 HG11 VAL 22 6.837 -3.445 1.685 164 HG12 VAL 22 HG12 VAL 22 8.184 -2.443 1.146 165 HG13 VAL 22 HG13 VAL 22 8.428 -4.166 1.437 166 HG21 VAL 22 HG21 VAL 22 8.102 -3.290 -2.334 167 HG22 VAL 22 HG22 VAL 22 9.364 -3.529 -1.127 168 HG23 VAL 22 HG23 VAL 22 8.435 -2.031 -1.147 169 H CYS 23 HN CYS 23 4.840 -5.377 -1.201 170 HA CYS 23 HA CYS 23 3.691 -5.880 1.339 171 HB2 CYS 23 HB2 CYS 23 2.391 -4.933 -0.503 172 HB3 CYS 23 HB1 CYS 23 2.612 -6.407 -1.431 173 H ASN 24 HN ASN 24 4.438 -7.969 -1.445 174 HA ASN 24 HA ASN 24 3.543 -10.398 -0.515 175 HB2 ASN 24 HB2 ASN 24 5.610 -9.509 -2.399 176 HB3 ASN 24 HB1 ASN 24 5.975 -11.065 -1.659 177 HD21 ASN 24 HD21 ASN 24 5.730 -11.591 -4.030 178 HD22 ASN 24 HD22 ASN 24 4.157 -12.077 -4.554 179 H ASP 25 HN ASP 25 6.495 -8.652 0.227 180 HA ASP 25 HA ASP 25 7.607 -10.611 1.967 181 HB2 ASP 25 HB2 ASP 25 8.209 -7.861 1.164 182 HB3 ASP 25 HB1 ASP 25 8.593 -8.179 2.853 183 H CYS 26 HN CYS 26 5.628 -7.690 2.497 184 HA CYS 26 HA CYS 26 5.526 -7.854 5.306 185 HB2 CYS 26 HB2 CYS 26 3.421 -6.710 3.456 186 HB3 CYS 26 HB1 CYS 26 3.659 -6.310 5.154 187 H TYR 27 HN TYR 27 3.728 -9.479 2.799 188 HA TYR 27 HA TYR 27 1.486 -10.338 4.206 189 HB2 TYR 27 HB2 TYR 27 2.301 -10.642 1.679 190 HB3 TYR 27 HB1 TYR 27 2.755 -12.229 2.288 191 HD1 TYR 27 HD1 TYR 27 0.233 -10.489 0.691 192 HD2 TYR 27 HD2 TYR 27 0.795 -13.322 3.814 193 HE1 TYR 27 HE1 TYR 27 -2.087 -11.252 0.409 194 HE2 TYR 27 HE2 TYR 27 -1.523 -14.093 3.541 195 HH TYR 27 HH TYR 27 -3.783 -12.807 2.520 196 H ASN 28 HN ASN 28 4.779 -11.499 4.269 197 HA ASN 28 HA ASN 28 4.461 -14.030 5.342 198 HB2 ASN 28 HB2 ASN 28 6.616 -13.006 4.586 199 HB3 ASN 28 HB1 ASN 28 6.648 -12.080 6.084 200 HD21 ASN 28 HD21 ASN 28 7.438 -12.997 7.870 201 HD22 ASN 28 HD22 ASN 28 7.942 -14.645 7.997 202 H LEU 29 HN LEU 29 3.900 -10.967 6.840 203 HA LEU 29 HA LEU 29 3.875 -12.169 9.507 204 HB2 LEU 29 HB2 LEU 29 4.268 -9.485 8.441 205 HB3 LEU 29 HB1 LEU 29 3.148 -9.514 9.790 206 HG LEU 29 HG LEU 29 5.459 -9.067 10.503 207 HD11 LEU 29 HD11 LEU 29 5.552 -11.262 12.028 208 HD12 LEU 29 HD12 LEU 29 3.897 -11.396 11.433 209 HD13 LEU 29 HD13 LEU 29 4.408 -9.948 12.301 210 HD21 LEU 29 HD21 LEU 29 5.968 -11.766 9.274 211 HD22 LEU 29 HD22 LEU 29 7.051 -11.025 10.452 212 HD23 LEU 29 HD23 LEU 29 6.757 -10.233 8.904 213 H TYR 30 HN TYR 30 1.736 -10.925 7.052 214 HA TYR 30 HA TYR 30 -0.549 -11.151 8.876 215 HB2 TYR 30 HB2 TYR 30 0.055 -9.506 6.544 216 HB3 TYR 30 HB1 TYR 30 -1.536 -10.254 6.448 217 HD1 TYR 30 HD1 TYR 30 -3.319 -9.559 7.883 218 HD2 TYR 30 HD2 TYR 30 0.594 -7.975 8.413 219 HE1 TYR 30 HE1 TYR 30 -4.226 -7.836 9.385 220 HE2 TYR 30 HE2 TYR 30 -0.302 -6.248 9.917 221 HH TYR 30 HH TYR 30 -2.209 -5.822 11.305 222 H ARG 31 HN ARG 31 -2.101 -12.655 8.651 223 HA ARG 31 HA ARG 31 -1.826 -14.557 6.418 224 HB2 ARG 31 HB2 ARG 31 -1.961 -14.967 9.299 225 HB3 ARG 31 HB1 ARG 31 -3.166 -15.911 8.436 226 HG2 ARG 31 HG2 ARG 31 -1.519 -17.410 8.243 227 HG3 ARG 31 HG1 ARG 31 -0.971 -16.378 6.920 228 HD2 ARG 31 HD2 ARG 31 0.911 -15.917 8.006 229 HD3 ARG 31 HD1 ARG 31 0.004 -15.340 9.403 230 HE ARG 31 HE ARG 31 -0.089 -18.025 9.684 231 HH11 ARG 31 HH11 ARG 31 2.531 -15.779 9.164 232 HH12 ARG 31 HH12 ARG 31 3.692 -16.742 10.015 233 HH21 ARG 31 HH21 ARG 31 1.436 -19.293 10.804 234 HH22 ARG 31 HH22 ARG 31 3.071 -18.737 10.946 235 H THR 32 HN THR 32 -3.912 -12.394 8.055 236 HA THR 32 HA THR 32 -6.368 -13.639 7.201 237 HB THR 32 HB THR 32 -6.412 -10.800 8.016 238 HG1 THR 32 HG1 THR 32 -5.957 -11.328 10.182 239 HG21 THR 32 HG21 THR 32 -8.120 -13.089 8.184 240 HG22 THR 32 HG22 THR 32 -8.489 -11.389 8.472 241 HG23 THR 32 HG23 THR 32 -7.873 -12.392 9.785 242 H SER 33 HN SER 33 -7.921 -11.604 6.305 243 HA SER 33 HA SER 33 -6.837 -11.188 3.630 244 HB2 SER 33 HB2 SER 33 -9.599 -11.101 4.809 245 HB3 SER 33 HB1 SER 33 -9.275 -10.367 3.239 246 HG SER 33 HG SER 33 -9.349 -13.035 3.974 247 H HIS 34 HN HIS 34 -5.990 -9.565 5.991 248 HA HIS 34 HA HIS 34 -7.046 -6.928 5.337 249 HB2 HIS 34 HB2 HIS 34 -5.322 -8.003 7.550 250 HB3 HIS 34 HB1 HIS 34 -5.393 -6.272 7.238 251 HD1 HIS 34 HD1 HIS 34 -7.802 -9.125 7.963 252 HD2 HIS 34 HD2 HIS 34 -7.425 -5.025 8.525 253 HE1 HIS 34 HE1 HIS 34 -9.781 -8.454 9.360 254 HE2 HIS 34 HE2 HIS 34 -9.556 -5.962 9.654 255 H VAL 35 HN VAL 35 -4.189 -8.864 4.973 256 HA VAL 35 HA VAL 35 -2.580 -6.673 3.994 257 HB VAL 35 HB VAL 35 -1.505 -8.462 5.291 258 HG11 VAL 35 HG11 VAL 35 -2.918 -10.328 4.632 259 HG12 VAL 35 HG12 VAL 35 -1.222 -10.699 4.323 260 HG13 VAL 35 HG13 VAL 35 -2.284 -10.249 2.989 261 HG21 VAL 35 HG21 VAL 35 0.189 -7.617 4.080 262 HG22 VAL 35 HG22 VAL 35 -0.706 -7.724 2.564 263 HG23 VAL 35 HG23 VAL 35 0.103 -9.150 3.213 264 H ALA 36 HN ALA 36 -4.303 -9.491 2.790 265 HA ALA 36 HA ALA 36 -3.456 -9.246 0.081 266 HB1 ALA 36 HB1 ALA 36 -4.914 -10.990 -0.397 267 HB2 ALA 36 HB2 ALA 36 -6.046 -10.526 0.873 268 HB3 ALA 36 HB3 ALA 36 -4.508 -11.279 1.294 269 H SER 37 HN SER 37 -6.525 -8.438 1.706 270 HA SER 37 HA SER 37 -7.611 -7.066 -0.534 271 HB2 SER 37 HB2 SER 37 -8.695 -8.005 1.748 272 HB3 SER 37 HB1 SER 37 -8.517 -6.308 2.193 273 HG SER 37 HG SER 37 -9.820 -5.731 0.508 274 H GLY 38 HN GLY 38 -5.139 -6.301 1.586 275 HA2 GLY 38 HA2 GLY 38 -5.354 -3.438 0.931 276 HA3 GLY 38 HA1 GLY 38 -4.780 -3.998 2.498 277 H CYS 39 HN CYS 39 -3.982 -5.788 -0.309 278 HA CYS 39 HA CYS 39 -1.166 -5.189 0.006 279 HB2 CYS 39 HB2 CYS 39 -2.155 -7.567 -0.284 280 HB3 CYS 39 HB1 CYS 39 -2.296 -7.141 -1.982 281 H ARG 40 HN ARG 40 -3.588 -5.265 -2.611 282 HA ARG 40 HA ARG 40 -1.972 -3.228 -3.983 283 HB2 ARG 40 HB2 ARG 40 -3.166 -4.477 -6.073 284 HB3 ARG 40 HB1 ARG 40 -1.499 -4.657 -5.566 285 HG2 ARG 40 HG2 ARG 40 -3.239 -6.442 -4.096 286 HG3 ARG 40 HG1 ARG 40 -3.391 -6.671 -5.836 287 HD2 ARG 40 HD2 ARG 40 -0.998 -6.978 -6.040 288 HD3 ARG 40 HD1 ARG 40 -0.782 -6.639 -4.323 289 HE ARG 40 HE ARG 40 -1.312 -8.811 -3.894 290 HH11 ARG 40 HH11 ARG 40 -2.581 -7.987 -7.040 291 HH12 ARG 40 HH12 ARG 40 -3.127 -9.594 -7.378 292 HH21 ARG 40 HH21 ARG 40 -2.025 -10.926 -4.341 293 HH22 ARG 40 HH22 ARG 40 -2.810 -11.263 -5.847 294 H VAL 41 HN VAL 41 -4.722 -3.447 -2.459 295 HA VAL 41 HA VAL 41 -5.885 -1.351 -4.071 296 HB VAL 41 HB VAL 41 -7.000 -3.380 -4.952 297 HG11 VAL 41 HG11 VAL 41 -8.631 -4.534 -3.405 298 HG12 VAL 41 HG12 VAL 41 -7.769 -3.765 -2.072 299 HG13 VAL 41 HG13 VAL 41 -6.923 -4.886 -3.138 300 HG21 VAL 41 HG21 VAL 41 -8.427 -1.196 -3.577 301 HG22 VAL 41 HG22 VAL 41 -9.407 -2.585 -4.047 302 HG23 VAL 41 HG23 VAL 41 -8.484 -1.705 -5.265 303 H ASN 42 HN ASN 42 -6.907 0.181 -2.742 304 HA ASN 42 HA ASN 42 -7.143 1.298 -0.737 305 HB2 ASN 42 HB2 ASN 42 -8.504 -0.056 1.017 306 HB3 ASN 42 HB1 ASN 42 -9.291 0.348 -0.503 307 HD21 ASN 42 HD21 ASN 42 -8.474 -2.096 1.638 308 HD22 ASN 42 HD22 ASN 42 -8.891 -3.451 0.651 309 H CYS 43 HN CYS 43 -5.082 -0.709 -1.394 310 HA CYS 43 HA CYS 43 -3.958 -1.727 1.019 311 HB2 CYS 43 HB2 CYS 43 -2.478 -2.825 -0.449 312 HB3 CYS 43 HB1 CYS 43 -3.979 -2.777 -1.340 313 H PHE 44 HN PHE 44 -3.304 0.612 -1.458 314 HA PHE 44 HA PHE 44 -0.830 1.128 -1.081 315 HB2 PHE 44 HB2 PHE 44 -2.375 2.341 -2.637 316 HB3 PHE 44 HB1 PHE 44 -2.625 3.496 -1.328 317 HD1 PHE 44 HD1 PHE 44 -1.377 5.400 -1.525 318 HD2 PHE 44 HD2 PHE 44 0.278 1.699 -2.801 319 HE1 PHE 44 HE1 PHE 44 0.728 6.541 -2.086 320 HE2 PHE 44 HE2 PHE 44 2.390 2.816 -3.367 321 HZ PHE 44 HZ PHE 44 2.615 5.255 -2.995 322 H GLU 45 HN GLU 45 -3.025 3.382 0.589 323 HA GLU 45 HA GLU 45 -0.921 4.059 2.441 324 HB2 GLU 45 HB2 GLU 45 -2.638 5.642 1.364 325 HB3 GLU 45 HB1 GLU 45 -3.740 5.061 2.605 326 HG2 GLU 45 HG2 GLU 45 -1.342 5.746 3.910 327 HG3 GLU 45 HG1 GLU 45 -1.706 7.054 2.784 328 H ASN 46 HN ASN 46 -4.291 3.062 2.924 329 HA ASN 46 HA ASN 46 -4.375 2.790 5.586 330 HB2 ASN 46 HB2 ASN 46 -5.663 1.211 3.407 331 HB3 ASN 46 HB1 ASN 46 -5.910 0.725 5.082 332 HD21 ASN 46 HD21 ASN 46 -7.951 1.597 3.387 333 HD22 ASN 46 HD22 ASN 46 -8.577 3.084 4.004 334 H HIS 47 HN HIS 47 -3.603 -0.114 3.589 335 HA HIS 47 HA HIS 47 -2.301 -1.154 6.011 336 HB2 HIS 47 HB2 HIS 47 -3.551 -2.631 3.707 337 HB3 HIS 47 HB1 HIS 47 -2.712 -3.400 5.050 338 HD1 HIS 47 HD1 HIS 47 -5.434 -4.354 4.883 339 HD2 HIS 47 HD2 HIS 47 -4.590 -0.742 6.754 340 HE1 HIS 47 HE1 HIS 47 -7.390 -3.909 6.399 341 HE2 HIS 47 HE2 HIS 47 -6.901 -1.672 7.448 342 H VAL 48 HN VAL 48 -1.843 -1.333 2.445 343 HA VAL 48 HA VAL 48 0.602 -2.651 2.763 344 HB VAL 48 HB VAL 48 -0.955 -2.318 0.598 345 HG11 VAL 48 HG11 VAL 48 0.117 0.117 0.545 346 HG12 VAL 48 HG12 VAL 48 -0.234 -0.770 -0.932 347 HG13 VAL 48 HG13 VAL 48 1.408 -0.734 -0.295 348 HG21 VAL 48 HG21 VAL 48 1.845 -3.178 1.013 349 HG22 VAL 48 HG22 VAL 48 1.313 -2.977 -0.656 350 HG23 VAL 48 HG23 VAL 48 0.449 -4.076 0.418 351 H PHE 49 HN PHE 49 -0.085 0.534 3.429 352 HA PHE 49 HA PHE 49 2.766 1.170 3.191 353 HB2 PHE 49 HB2 PHE 49 0.386 2.859 2.734 354 HB3 PHE 49 HB1 PHE 49 1.718 3.618 3.590 355 HD1 PHE 49 HD1 PHE 49 2.552 0.998 1.239 356 HD2 PHE 49 HD2 PHE 49 1.921 5.182 1.677 357 HE1 PHE 49 HE1 PHE 49 3.737 1.389 -0.873 358 HE2 PHE 49 HE2 PHE 49 3.107 5.578 -0.442 359 HZ PHE 49 HZ PHE 49 4.017 3.683 -1.718 360 H ASP 50 HN ASP 50 0.100 0.715 5.269 361 HA ASP 50 HA ASP 50 1.270 2.062 7.527 362 HB2 ASP 50 HB2 ASP 50 -1.198 1.862 7.190 363 HB3 ASP 50 HB1 ASP 50 -1.027 0.116 7.372 364 H ASP 51 HN ASP 51 0.917 -1.108 6.082 365 HA ASP 51 HA ASP 51 2.109 -2.342 8.381 366 HB2 ASP 51 HB2 ASP 51 0.379 -3.234 6.394 367 HB3 ASP 51 HB1 ASP 51 1.880 -4.106 6.103 368 H CYS 52 HN CYS 52 2.918 -1.742 5.042 369 HA CYS 52 HA CYS 52 5.507 -2.992 5.305 370 HB2 CYS 52 HB2 CYS 52 4.256 -1.469 3.030 371 HB3 CYS 52 HB1 CYS 52 5.831 -2.247 2.951 372 H VAL 53 HN VAL 53 4.551 0.339 4.436 373 HA VAL 53 HA VAL 53 7.205 1.303 4.721 374 HB VAL 53 HB VAL 53 4.962 3.236 5.057 375 HG11 VAL 53 HG11 VAL 53 6.357 4.502 3.438 376 HG12 VAL 53 HG12 VAL 53 7.514 3.172 3.461 377 HG13 VAL 53 HG13 VAL 53 7.190 4.085 4.934 378 HG21 VAL 53 HG21 VAL 53 4.303 3.178 2.778 379 HG22 VAL 53 HG22 VAL 53 4.190 1.525 3.376 380 HG23 VAL 53 HG23 VAL 53 5.555 2.005 2.371 381 H TYR 54 HN TYR 54 4.358 1.502 6.826 382 HA TYR 54 HA TYR 54 5.554 3.052 8.769 383 HB2 TYR 54 HB2 TYR 54 3.044 2.003 8.395 384 HB3 TYR 54 HB1 TYR 54 3.589 1.223 9.876 385 HD1 TYR 54 HD1 TYR 54 2.419 4.291 8.369 386 HD2 TYR 54 HD2 TYR 54 4.262 2.635 11.827 387 HE1 TYR 54 HE1 TYR 54 1.849 6.319 9.637 388 HE2 TYR 54 HE2 TYR 54 3.697 4.658 13.105 389 HH TYR 54 HH TYR 54 1.980 6.497 12.978 390 H GLU 55 HN GLU 55 6.101 -0.259 8.145 391 HA GLU 55 HA GLU 55 7.523 -0.388 10.723 392 HB2 GLU 55 HB2 GLU 55 5.466 -2.098 9.747 393 HB3 GLU 55 HB1 GLU 55 6.957 -3.026 9.818 394 HG2 GLU 55 HG2 GLU 55 6.001 -1.373 12.130 395 HG3 GLU 55 HG1 GLU 55 5.470 -3.036 11.875 396 H LEU 56 HN LEU 56 7.635 -0.952 7.297 397 HA LEU 56 HA LEU 56 10.266 -2.239 7.600 398 HB2 LEU 56 HB2 LEU 56 8.857 -1.908 4.981 399 HB3 LEU 56 HB1 LEU 56 10.098 -3.062 5.420 400 HG LEU 56 HG LEU 56 7.181 -3.102 6.107 401 HD11 LEU 56 HD11 LEU 56 7.703 -4.181 4.057 402 HD12 LEU 56 HD12 LEU 56 7.464 -5.454 5.255 403 HD13 LEU 56 HD13 LEU 56 9.096 -4.997 4.767 404 HD21 LEU 56 HD21 LEU 56 8.067 -5.291 7.367 405 HD22 LEU 56 HD22 LEU 56 7.834 -3.744 8.182 406 HD23 LEU 56 HD23 LEU 56 9.444 -4.225 7.645 407 H LEU 57 HN LEU 57 8.928 0.088 5.268 408 HA LEU 57 HA LEU 57 11.577 1.077 4.726 409 HB2 LEU 57 HB2 LEU 57 9.288 0.776 3.243 410 HB3 LEU 57 HB1 LEU 57 9.372 2.510 3.474 411 HG LEU 57 HG LEU 57 10.456 1.924 1.402 412 HD11 LEU 57 HD11 LEU 57 12.055 2.980 3.658 413 HD12 LEU 57 HD12 LEU 57 11.593 3.743 2.136 414 HD13 LEU 57 HD13 LEU 57 12.919 2.580 2.173 415 HD21 LEU 57 HD21 LEU 57 11.719 -0.148 3.091 416 HD22 LEU 57 HD22 LEU 57 12.724 0.577 1.837 417 HD23 LEU 57 HD23 LEU 57 11.208 -0.212 1.404 418 H LEU 58 HN LEU 58 8.545 2.803 5.503 419 HA LEU 58 HA LEU 58 10.177 4.705 7.043 420 HB2 LEU 58 HB2 LEU 58 7.997 5.794 5.331 421 HB3 LEU 58 HB1 LEU 58 9.451 6.572 5.919 422 HG LEU 58 HG LEU 58 9.612 4.406 3.851 423 HD11 LEU 58 HD11 LEU 58 9.323 5.908 2.094 424 HD12 LEU 58 HD12 LEU 58 9.451 7.314 3.151 425 HD13 LEU 58 HD13 LEU 58 8.011 6.297 3.205 426 HD21 LEU 58 HD21 LEU 58 11.404 6.414 5.050 427 HD22 LEU 58 HD22 LEU 58 11.559 6.180 3.309 428 HD23 LEU 58 HD23 LEU 58 11.760 4.813 4.404 429 H HIS 59 HN HIS 59 9.396 4.069 8.972 430 HA HIS 59 HA HIS 59 6.749 3.523 9.623 431 HB2 HIS 59 HB2 HIS 59 7.441 3.632 11.910 432 HB3 HIS 59 HB1 HIS 59 8.755 2.929 10.970 433 HD1 HIS 59 HD1 HIS 59 10.990 4.018 11.183 434 HD2 HIS 59 HD2 HIS 59 7.922 6.432 12.608 435 HE1 HIS 59 HE1 HIS 59 12.127 5.991 12.247 436 HE2 HIS 59 HE2 HIS 59 10.251 7.470 13.045 437 H ASN 60 HN ASN 60 8.267 6.534 9.017 438 HA ASN 60 HA ASN 60 5.853 7.920 9.913 439 HB2 ASN 60 HB2 ASN 60 8.151 8.167 11.302 440 HB3 ASN 60 HB1 ASN 60 8.399 9.424 10.095 441 HD21 ASN 60 HD21 ASN 60 7.376 11.313 10.314 442 HD22 ASN 60 HD22 ASN 60 6.219 11.674 11.545 443 HA PRO 61 HA PRO 61 8.003 10.373 6.332 444 HB2 PRO 61 HB2 PRO 61 9.687 8.285 5.105 445 HB3 PRO 61 HB1 PRO 61 10.041 9.990 5.399 446 HG2 PRO 61 HG2 PRO 61 11.157 8.072 6.887 447 HG3 PRO 61 HG1 PRO 61 10.665 9.623 7.595 448 HD2 PRO 61 HD2 PRO 61 9.294 6.967 7.705 449 HD3 PRO 61 HD1 PRO 61 9.491 8.184 8.982 450 H GLU 62 HN GLU 62 5.622 9.151 6.273 451 HA GLU 62 HA GLU 62 5.390 7.611 3.830 452 HB2 GLU 62 HB2 GLU 62 4.020 7.347 6.078 453 HB3 GLU 62 HB1 GLU 62 3.022 8.606 5.364 454 HG2 GLU 62 HG2 GLU 62 3.092 6.984 3.282 455 HG3 GLU 62 HG1 GLU 62 3.405 5.785 4.535 456 H GLU 63 HN GLU 63 5.834 10.731 4.539 457 HA GLU 63 HA GLU 63 3.997 12.382 3.447 458 HB2 GLU 63 HB2 GLU 63 6.958 12.344 3.444 459 HB3 GLU 63 HB1 GLU 63 6.169 13.523 2.411 460 HG2 GLU 63 HG2 GLU 63 4.809 13.898 4.716 461 HG3 GLU 63 HG1 GLU 63 6.388 13.421 5.338 462 H VAL 64 HN VAL 64 6.761 11.704 1.345 463 HA VAL 64 HA VAL 64 5.315 12.129 -1.023 464 HB VAL 64 HB VAL 64 7.248 11.007 -2.166 465 HG11 VAL 64 HG11 VAL 64 8.910 12.791 -0.997 466 HG12 VAL 64 HG12 VAL 64 7.347 13.397 -0.450 467 HG13 VAL 64 HG13 VAL 64 7.670 13.222 -2.175 468 HG21 VAL 64 HG21 VAL 64 7.663 9.742 0.182 469 HG22 VAL 64 HG22 VAL 64 8.829 11.059 0.322 470 HG23 VAL 64 HG23 VAL 64 8.906 9.955 -1.051 471 H LEU 65 HN LEU 65 5.075 9.601 1.100 472 HA LEU 65 HA LEU 65 4.598 7.553 -0.915 473 HB2 LEU 65 HB2 LEU 65 4.654 7.625 2.079 474 HB3 LEU 65 HB1 LEU 65 3.803 6.327 1.277 475 HG LEU 65 HG LEU 65 6.083 5.682 1.912 476 HD11 LEU 65 HD11 LEU 65 5.639 4.330 0.179 477 HD12 LEU 65 HD12 LEU 65 6.809 5.334 -0.677 478 HD13 LEU 65 HD13 LEU 65 5.084 5.654 -0.845 479 HD21 LEU 65 HD21 LEU 65 8.005 6.687 0.803 480 HD22 LEU 65 HD22 LEU 65 7.124 7.887 1.749 481 HD23 LEU 65 HD23 LEU 65 6.946 7.843 -0.005 482 H LEU 66 HN LEU 66 3.065 9.999 0.849 483 HA LEU 66 HA LEU 66 0.420 8.961 0.479 484 HB2 LEU 66 HB2 LEU 66 1.648 11.121 2.040 485 HB3 LEU 66 HB1 LEU 66 0.087 11.531 1.354 486 HG LEU 66 HG LEU 66 0.217 8.932 2.751 487 HD11 LEU 66 HD11 LEU 66 0.546 9.661 4.870 488 HD12 LEU 66 HD12 LEU 66 -0.078 11.275 4.532 489 HD13 LEU 66 HD13 LEU 66 1.558 10.841 4.038 490 HD21 LEU 66 HD21 LEU 66 -1.765 10.439 1.728 491 HD22 LEU 66 HD22 LEU 66 -1.780 10.998 3.401 492 HD23 LEU 66 HD23 LEU 66 -1.991 9.284 3.041 493 H MET 67 HN MET 67 2.532 11.530 -0.671 494 HA MET 67 HA MET 67 0.757 12.865 -2.369 495 HB2 MET 67 HB2 MET 67 3.717 12.393 -2.805 496 HB3 MET 67 HB1 MET 67 2.747 13.642 -3.572 497 HG2 MET 67 HG2 MET 67 2.397 14.735 -1.458 498 HG3 MET 67 HG1 MET 67 3.227 13.432 -0.609 499 HE1 MET 67 HE1 MET 67 5.377 15.949 0.281 500 HE2 MET 67 HE2 MET 67 3.647 16.085 -0.030 501 HE3 MET 67 HE3 MET 67 4.785 17.095 -0.921 502 H ARG 68 HN ARG 68 2.849 10.059 -2.903 503 HA ARG 68 HA ARG 68 2.354 9.618 -5.598 504 HB2 ARG 68 HB2 ARG 68 3.173 7.946 -3.295 505 HB3 ARG 68 HB1 ARG 68 2.514 7.079 -4.673 506 HG2 ARG 68 HG2 ARG 68 5.024 7.365 -4.607 507 HG3 ARG 68 HG1 ARG 68 4.219 7.836 -6.103 508 HD2 ARG 68 HD2 ARG 68 4.795 9.994 -5.873 509 HD3 ARG 68 HD1 ARG 68 4.470 9.995 -4.140 510 HE ARG 68 HE ARG 68 6.760 8.575 -4.330 511 HH11 ARG 68 HH11 ARG 68 5.791 11.698 -5.550 512 HH12 ARG 68 HH12 ARG 68 7.393 12.355 -5.498 513 HH21 ARG 68 HH21 ARG 68 8.867 9.437 -4.261 514 HH22 ARG 68 HH22 ARG 68 9.139 11.071 -4.766 515 H ASP 69 HN ASP 69 0.508 8.596 -2.760 516 HA ASP 69 HA ASP 69 -1.460 7.115 -4.079 517 HB2 ASP 69 HB2 ASP 69 -2.449 6.899 -2.045 518 HB3 ASP 69 HB1 ASP 69 -0.916 7.546 -1.481 519 H ALA 70 HN ALA 70 -0.818 10.412 -4.235 520 HA ALA 70 HA ALA 70 -3.453 11.434 -4.556 521 HB1 ALA 70 HB1 ALA 70 -2.463 13.436 -5.262 522 HB2 ALA 70 HB2 ALA 70 -1.038 12.615 -5.897 523 HB3 ALA 70 HB3 ALA 70 -1.272 12.754 -4.155 524 H ILE 71 HN ILE 71 -0.942 10.261 -6.718 525 HA ILE 71 HA ILE 71 -2.708 10.365 -9.028 526 HB ILE 71 HB ILE 71 0.112 9.307 -8.752 527 HG12 ILE 71 HG12 ILE 71 0.349 11.465 -10.337 528 HG13 ILE 71 HG11 ILE 71 -1.029 11.977 -9.367 529 HG21 ILE 71 HG21 ILE 71 -1.650 9.698 -11.165 530 HG22 ILE 71 HG22 ILE 71 -0.937 8.194 -10.582 531 HG23 ILE 71 HG23 ILE 71 0.094 9.454 -11.261 532 HD11 ILE 71 HD11 ILE 71 1.773 11.846 -8.682 533 HD12 ILE 71 HD12 ILE 71 0.765 10.995 -7.510 534 HD13 ILE 71 HD13 ILE 71 0.449 12.690 -7.880 535 H ARG 72 HN ARG 72 -0.994 8.017 -7.007 536 HA ARG 72 HA ARG 72 -1.868 5.612 -8.116 537 HB2 ARG 72 HB2 ARG 72 -0.545 6.524 -5.752 538 HB3 ARG 72 HB1 ARG 72 -1.861 5.499 -5.221 539 HG2 ARG 72 HG2 ARG 72 -0.843 3.644 -5.894 540 HG3 ARG 72 HG1 ARG 72 -0.286 4.371 -7.397 541 HD2 ARG 72 HD2 ARG 72 0.986 5.331 -4.914 542 HD3 ARG 72 HD1 ARG 72 1.357 3.675 -5.385 543 HE ARG 72 HE ARG 72 1.705 5.276 -7.625 544 HH11 ARG 72 HH11 ARG 72 3.170 4.860 -4.506 545 HH12 ARG 72 HH12 ARG 72 4.706 5.467 -5.006 546 HH21 ARG 72 HH21 ARG 72 3.720 6.053 -8.302 547 HH22 ARG 72 HH22 ARG 72 5.023 6.140 -7.164 548 H GLY 73 HN GLY 73 -3.140 7.024 -5.095 549 HA2 GLY 73 HA2 GLY 73 -5.628 5.647 -5.297 550 HA3 GLY 73 HA1 GLY 73 -5.242 6.926 -4.156 Start of MODEL 9 1 H1 GLN 1 HN GLN 1 -16.337 8.653 -2.228 2 HA GLN 1 HA GLN 1 -18.457 6.864 -1.240 3 HB2 GLN 1 HB2 GLN 1 -20.024 8.206 -2.553 4 HB3 GLN 1 HB1 GLN 1 -19.137 9.210 -1.414 5 HG2 GLN 1 HG2 GLN 1 -17.583 9.354 -3.663 6 HG3 GLN 1 HG1 GLN 1 -19.216 9.295 -4.324 7 HE21 GLN 1 HE21 GLN 1 -20.463 11.064 -4.226 8 HE22 GLN 1 HE22 GLN 1 -20.014 12.546 -3.460 9 H ILE 2 HN ILE 2 -16.418 7.669 -3.957 10 HA ILE 2 HA ILE 2 -17.644 5.503 -5.526 11 HB ILE 2 HB ILE 2 -15.754 7.629 -6.532 12 HG12 ILE 2 HG12 ILE 2 -17.865 8.615 -5.691 13 HG13 ILE 2 HG11 ILE 2 -17.702 8.772 -7.438 14 HG21 ILE 2 HG21 ILE 2 -15.624 6.081 -8.173 15 HG22 ILE 2 HG22 ILE 2 -17.144 6.820 -8.679 16 HG23 ILE 2 HG23 ILE 2 -17.159 5.329 -7.737 17 HD11 ILE 2 HD11 ILE 2 -19.092 6.347 -6.726 18 HD12 ILE 2 HD12 ILE 2 -19.590 7.668 -7.784 19 HD13 ILE 2 HD13 ILE 2 -19.876 7.773 -6.047 20 H PHE 3 HN PHE 3 -16.626 3.625 -5.376 21 HA PHE 3 HA PHE 3 -14.992 2.047 -5.292 22 HB2 PHE 3 HB2 PHE 3 -13.819 4.251 -6.833 23 HB3 PHE 3 HB1 PHE 3 -12.624 3.208 -6.069 24 HD1 PHE 3 HD1 PHE 3 -14.393 3.718 -8.978 25 HD2 PHE 3 HD2 PHE 3 -13.279 0.593 -6.313 26 HE1 PHE 3 HE1 PHE 3 -14.677 2.078 -10.790 27 HE2 PHE 3 HE2 PHE 3 -13.560 -1.053 -8.120 28 HZ PHE 3 HZ PHE 3 -14.260 -0.312 -10.362 29 H ASP 4 HN ASP 4 -14.286 1.326 -3.407 30 HA ASP 4 HA ASP 4 -12.969 3.187 -1.562 31 HB2 ASP 4 HB2 ASP 4 -14.978 1.338 -1.143 32 HB3 ASP 4 HB1 ASP 4 -13.548 0.505 -0.542 33 H SER 5 HN SER 5 -10.881 3.215 -2.339 34 HA SER 5 HA SER 5 -9.111 1.242 -1.450 35 HB2 SER 5 HB2 SER 5 -8.341 0.296 -3.596 36 HB3 SER 5 HB1 SER 5 -10.029 -0.110 -3.285 37 HG SER 5 HG SER 5 -10.003 0.592 -5.349 38 H SER 6 HN SER 6 -7.318 2.372 -1.046 39 HA SER 6 HA SER 6 -6.834 4.833 -2.515 40 HB2 SER 6 HB2 SER 6 -5.807 3.688 0.050 41 HB3 SER 6 HB1 SER 6 -4.867 4.931 -0.773 42 HG SER 6 HG SER 6 -6.524 6.355 -0.529 43 H CYS 7 HN CYS 7 -6.189 1.858 -3.276 44 HA CYS 7 HA CYS 7 -3.655 2.740 -4.435 45 HB2 CYS 7 HB2 CYS 7 -3.785 -0.069 -4.697 46 HB3 CYS 7 HB1 CYS 7 -2.690 0.853 -3.680 47 H LYS 8 HN LYS 8 -3.602 2.771 -6.605 48 HA LYS 8 HA LYS 8 -5.848 1.518 -8.039 49 HB2 LYS 8 HB2 LYS 8 -4.784 4.308 -8.230 50 HB3 LYS 8 HB1 LYS 8 -5.426 3.543 -9.676 51 HG2 LYS 8 HG2 LYS 8 -7.576 3.437 -8.829 52 HG3 LYS 8 HG1 LYS 8 -7.031 3.574 -7.156 53 HD2 LYS 8 HD2 LYS 8 -6.626 5.875 -7.359 54 HD3 LYS 8 HD1 LYS 8 -6.648 5.811 -9.123 55 HE2 LYS 8 HE2 LYS 8 -9.015 5.387 -7.301 56 HE3 LYS 8 HE1 LYS 8 -8.683 6.839 -8.245 57 HZ1 LYS 8 HZ1 LYS 8 -8.638 5.067 -10.180 58 HZ2 LYS 8 HZ2 LYS 8 -10.080 5.781 -9.661 59 HZ3 LYS 8 HZ3 LYS 8 -9.664 4.233 -9.124 60 H GLY 9 HN GLY 9 -5.372 0.511 -9.916 61 HA2 GLY 9 HA2 GLY 9 -2.972 -0.671 -10.369 62 HA3 GLY 9 HA1 GLY 9 -4.125 -0.340 -11.648 63 H VAL 10 HN VAL 10 -3.762 2.630 -11.068 64 HA VAL 10 HA VAL 10 -1.823 3.022 -13.026 65 HB VAL 10 HB VAL 10 -2.952 5.189 -11.311 66 HG11 VAL 10 HG11 VAL 10 -2.452 5.610 -14.181 67 HG12 VAL 10 HG12 VAL 10 -1.017 5.372 -13.183 68 HG13 VAL 10 HG13 VAL 10 -2.149 6.671 -12.806 69 HG21 VAL 10 HG21 VAL 10 -4.591 5.353 -13.331 70 HG22 VAL 10 HG22 VAL 10 -4.901 4.189 -12.043 71 HG23 VAL 10 HG23 VAL 10 -4.181 3.654 -13.562 72 H TYR 11 HN TYR 11 -1.707 4.142 -9.676 73 HA TYR 11 HA TYR 11 1.125 4.627 -10.099 74 HB2 TYR 11 HB2 TYR 11 -0.774 5.701 -8.258 75 HB3 TYR 11 HB1 TYR 11 0.496 4.897 -7.337 76 HD1 TYR 11 HD1 TYR 11 0.560 6.820 -10.534 77 HD2 TYR 11 HD2 TYR 11 1.983 6.484 -6.544 78 HE1 TYR 11 HE1 TYR 11 2.059 8.730 -10.917 79 HE2 TYR 11 HE2 TYR 11 3.485 8.397 -6.911 80 HH TYR 11 HH TYR 11 4.555 9.571 -8.742 81 H ASP 12 HN ASP 12 -1.079 2.333 -9.187 82 HA ASP 12 HA ASP 12 0.550 0.676 -7.499 83 HB2 ASP 12 HB2 ASP 12 -1.929 0.535 -7.692 84 HB3 ASP 12 HB1 ASP 12 -1.700 -0.056 -9.330 85 H ARG 13 HN ARG 13 0.485 1.537 -10.748 86 HA ARG 13 HA ARG 13 1.497 -0.858 -11.838 87 HB2 ARG 13 HB2 ARG 13 0.351 1.333 -12.940 88 HB3 ARG 13 HB1 ARG 13 2.046 1.678 -13.247 89 HG2 ARG 13 HG2 ARG 13 1.509 -1.036 -13.947 90 HG3 ARG 13 HG1 ARG 13 0.311 0.011 -14.710 91 HD2 ARG 13 HD2 ARG 13 1.870 1.101 -15.979 92 HD3 ARG 13 HD1 ARG 13 3.163 0.841 -14.810 93 HE ARG 13 HE ARG 13 2.568 -0.780 -17.044 94 HH11 ARG 13 HH11 ARG 13 3.557 -1.008 -13.705 95 HH12 ARG 13 HH12 ARG 13 4.393 -2.508 -13.925 96 HH21 ARG 13 HH21 ARG 13 3.666 -2.754 -17.335 97 HH22 ARG 13 HH22 ARG 13 4.454 -3.500 -15.985 98 H ALA 14 HN ALA 14 2.680 2.208 -10.763 99 HA ALA 14 HA ALA 14 5.485 1.559 -11.225 100 HB1 ALA 14 HB1 ALA 14 4.143 3.931 -11.072 101 HB2 ALA 14 HB2 ALA 14 5.890 3.756 -10.903 102 HB3 ALA 14 HB3 ALA 14 4.868 3.834 -9.468 103 H ILE 15 HN ILE 15 3.162 1.674 -8.669 104 HA ILE 15 HA ILE 15 4.899 1.168 -6.523 105 HB ILE 15 HB ILE 15 1.990 1.360 -6.982 106 HG12 ILE 15 HG12 ILE 15 2.469 2.406 -4.531 107 HG13 ILE 15 HG11 ILE 15 4.058 2.563 -5.269 108 HG21 ILE 15 HG21 ILE 15 3.024 -0.691 -5.236 109 HG22 ILE 15 HG22 ILE 15 1.376 -0.379 -5.761 110 HG23 ILE 15 HG23 ILE 15 2.038 0.480 -4.372 111 HD11 ILE 15 HD11 ILE 15 2.511 4.533 -5.484 112 HD12 ILE 15 HD12 ILE 15 1.560 3.545 -6.591 113 HD13 ILE 15 HD13 ILE 15 3.232 3.941 -6.981 114 H PHE 16 HN PHE 16 3.101 -0.714 -8.852 115 HA PHE 16 HA PHE 16 3.025 -3.224 -7.765 116 HB2 PHE 16 HB2 PHE 16 2.568 -2.224 -10.269 117 HB3 PHE 16 HB1 PHE 16 4.006 -3.195 -10.541 118 HD1 PHE 16 HD1 PHE 16 3.925 -5.557 -10.529 119 HD2 PHE 16 HD2 PHE 16 0.500 -3.290 -9.412 120 HE1 PHE 16 HE1 PHE 16 2.546 -7.592 -10.644 121 HE2 PHE 16 HE2 PHE 16 -0.885 -5.321 -9.524 122 HZ PHE 16 HZ PHE 16 0.138 -7.476 -10.140 123 H ASN 17 HN ASN 17 5.677 -1.725 -9.525 124 HA ASN 17 HA ASN 17 7.453 -3.916 -8.918 125 HB2 ASN 17 HB2 ASN 17 7.678 -1.394 -10.516 126 HB3 ASN 17 HB1 ASN 17 9.130 -2.283 -10.066 127 HD21 ASN 17 HD21 ASN 17 8.932 -2.144 -12.596 128 HD22 ASN 17 HD22 ASN 17 8.285 -3.569 -13.329 129 H GLU 18 HN GLU 18 6.749 -0.768 -7.551 130 HA GLU 18 HA GLU 18 9.247 -0.734 -6.122 131 HB2 GLU 18 HB2 GLU 18 7.178 1.225 -6.833 132 HB3 GLU 18 HB1 GLU 18 7.844 1.419 -5.218 133 HG2 GLU 18 HG2 GLU 18 9.036 2.775 -6.845 134 HG3 GLU 18 HG1 GLU 18 10.088 1.550 -6.137 135 H LEU 19 HN LEU 19 5.814 -0.297 -5.306 136 HA LEU 19 HA LEU 19 6.475 -1.006 -2.646 137 HB2 LEU 19 HB2 LEU 19 3.824 -0.201 -3.708 138 HB3 LEU 19 HB1 LEU 19 4.369 -0.111 -2.043 139 HG LEU 19 HG LEU 19 5.245 1.569 -4.382 140 HD11 LEU 19 HD11 LEU 19 4.441 2.714 -1.770 141 HD12 LEU 19 HD12 LEU 19 3.166 1.961 -2.728 142 HD13 LEU 19 HD13 LEU 19 4.116 3.284 -3.406 143 HD21 LEU 19 HD21 LEU 19 7.255 1.053 -3.210 144 HD22 LEU 19 HD22 LEU 19 6.489 1.324 -1.646 145 HD23 LEU 19 HD23 LEU 19 6.774 2.682 -2.735 146 H GLU 20 HN GLU 20 4.202 -2.114 -5.076 147 HA GLU 20 HA GLU 20 2.903 -3.949 -3.728 148 HB2 GLU 20 HB2 GLU 20 2.467 -3.520 -6.071 149 HB3 GLU 20 HB1 GLU 20 3.924 -4.396 -6.505 150 HG2 GLU 20 HG2 GLU 20 1.920 -5.834 -4.880 151 HG3 GLU 20 HG1 GLU 20 1.517 -5.502 -6.564 152 H HIS 21 HN HIS 21 6.229 -4.359 -4.823 153 HA HIS 21 HA HIS 21 6.339 -7.120 -4.090 154 HB2 HIS 21 HB2 HIS 21 8.696 -7.026 -4.395 155 HB3 HIS 21 HB1 HIS 21 7.972 -6.062 -5.676 156 HD1 HIS 21 HD1 HIS 21 9.362 -4.079 -6.117 157 HD2 HIS 21 HD2 HIS 21 9.356 -5.067 -2.081 158 HE1 HIS 21 HE1 HIS 21 10.845 -2.379 -5.006 159 HE2 HIS 21 HE2 HIS 21 10.743 -2.936 -2.552 160 H VAL 22 HN VAL 22 6.918 -4.068 -2.474 161 HA VAL 22 HA VAL 22 8.145 -4.988 -0.138 162 HB VAL 22 HB VAL 22 6.057 -2.801 -0.286 163 HG11 VAL 22 HG11 VAL 22 8.389 -3.037 1.600 164 HG12 VAL 22 HG12 VAL 22 6.783 -3.662 1.975 165 HG13 VAL 22 HG13 VAL 22 7.015 -1.936 1.697 166 HG21 VAL 22 HG21 VAL 22 7.981 -1.267 -0.594 167 HG22 VAL 22 HG22 VAL 22 7.740 -2.361 -1.955 168 HG23 VAL 22 HG23 VAL 22 9.028 -2.672 -0.792 169 H CYS 23 HN CYS 23 4.815 -4.980 -1.224 170 HA CYS 23 HA CYS 23 3.636 -5.912 1.191 171 HB2 CYS 23 HB2 CYS 23 2.339 -4.866 -0.660 172 HB3 CYS 23 HB1 CYS 23 2.658 -6.290 -1.643 173 H ASN 24 HN ASN 24 4.782 -7.491 -1.777 174 HA ASN 24 HA ASN 24 4.138 -10.121 -1.207 175 HB2 ASN 24 HB2 ASN 24 6.162 -8.756 -2.858 176 HB3 ASN 24 HB1 ASN 24 6.629 -10.374 -2.344 177 HD21 ASN 24 HD21 ASN 24 4.482 -11.856 -2.439 178 HD22 ASN 24 HD22 ASN 24 3.760 -11.868 -4.008 179 H ASP 25 HN ASP 25 6.824 -8.132 -0.135 180 HA ASP 25 HA ASP 25 8.141 -10.147 1.384 181 HB2 ASP 25 HB2 ASP 25 8.867 -7.679 0.599 182 HB3 ASP 25 HB1 ASP 25 8.345 -7.304 2.238 183 H CYS 26 HN CYS 26 5.726 -7.660 2.126 184 HA CYS 26 HA CYS 26 5.569 -8.178 4.909 185 HB2 CYS 26 HB2 CYS 26 3.484 -6.996 3.056 186 HB3 CYS 26 HB1 CYS 26 3.467 -6.898 4.813 187 H TYR 27 HN TYR 27 4.203 -9.697 2.114 188 HA TYR 27 HA TYR 27 2.002 -11.007 3.282 189 HB2 TYR 27 HB2 TYR 27 3.099 -10.805 0.750 190 HB3 TYR 27 HB1 TYR 27 3.322 -12.505 1.146 191 HD1 TYR 27 HD1 TYR 27 1.278 -10.498 -0.613 192 HD2 TYR 27 HD2 TYR 27 1.008 -13.339 2.542 193 HE1 TYR 27 HE1 TYR 27 -1.064 -10.938 -1.219 194 HE2 TYR 27 HE2 TYR 27 -1.335 -13.786 1.944 195 HH TYR 27 HH TYR 27 -2.737 -12.664 -0.966 196 H ASN 28 HN ASN 28 5.380 -11.571 3.551 197 HA ASN 28 HA ASN 28 5.717 -14.245 3.849 198 HB2 ASN 28 HB2 ASN 28 7.309 -12.175 4.320 199 HB3 ASN 28 HB1 ASN 28 6.888 -12.534 5.992 200 HD21 ASN 28 HD21 ASN 28 9.469 -12.735 4.864 201 HD22 ASN 28 HD22 ASN 28 9.952 -14.392 4.941 202 H LEU 29 HN LEU 29 4.963 -12.159 6.651 203 HA LEU 29 HA LEU 29 4.121 -14.451 8.185 204 HB2 LEU 29 HB2 LEU 29 4.579 -11.572 8.697 205 HB3 LEU 29 HB1 LEU 29 3.398 -12.364 9.724 206 HG LEU 29 HG LEU 29 5.612 -12.344 10.759 207 HD11 LEU 29 HD11 LEU 29 3.895 -14.364 10.788 208 HD12 LEU 29 HD12 LEU 29 5.448 -14.442 11.620 209 HD13 LEU 29 HD13 LEU 29 5.256 -15.199 10.039 210 HD21 LEU 29 HD21 LEU 29 6.707 -14.307 8.842 211 HD22 LEU 29 HD22 LEU 29 7.520 -13.045 9.767 212 HD23 LEU 29 HD23 LEU 29 6.636 -12.631 8.299 213 H TYR 30 HN TYR 30 2.350 -15.187 6.918 214 HA TYR 30 HA TYR 30 0.069 -13.518 6.447 215 HB2 TYR 30 HB2 TYR 30 0.751 -15.535 5.063 216 HB3 TYR 30 HB1 TYR 30 0.147 -16.537 6.378 217 HD1 TYR 30 HD1 TYR 30 -0.679 -15.076 3.316 218 HD2 TYR 30 HD2 TYR 30 -2.332 -15.918 7.145 219 HE1 TYR 30 HE1 TYR 30 -2.942 -14.948 2.361 220 HE2 TYR 30 HE2 TYR 30 -4.599 -15.793 6.201 221 HH TYR 30 HH TYR 30 -5.724 -15.978 4.080 222 H ARG 31 HN ARG 31 -0.978 -12.762 8.195 223 HA ARG 31 HA ARG 31 -1.744 -14.707 10.273 224 HB2 ARG 31 HB2 ARG 31 -0.632 -12.011 10.441 225 HB3 ARG 31 HB1 ARG 31 -2.085 -12.210 11.410 226 HG2 ARG 31 HG2 ARG 31 -0.934 -13.259 12.977 227 HG3 ARG 31 HG1 ARG 31 -0.404 -14.474 11.812 228 HD2 ARG 31 HD2 ARG 31 1.483 -13.117 11.182 229 HD3 ARG 31 HD1 ARG 31 0.915 -11.790 12.195 230 HE ARG 31 HE ARG 31 2.386 -14.095 13.038 231 HH11 ARG 31 HH11 ARG 31 0.067 -11.696 14.061 232 HH12 ARG 31 HH12 ARG 31 0.475 -11.836 15.738 233 HH21 ARG 31 HH21 ARG 31 2.924 -14.280 15.242 234 HH22 ARG 31 HH22 ARG 31 2.097 -13.303 16.409 235 H THR 32 HN THR 32 -2.821 -12.049 8.233 236 HA THR 32 HA THR 32 -5.566 -12.954 8.575 237 HB THR 32 HB THR 32 -6.319 -10.550 8.869 238 HG1 THR 32 HG1 THR 32 -4.882 -9.040 9.200 239 HG21 THR 32 HG21 THR 32 -5.623 -10.424 11.310 240 HG22 THR 32 HG22 THR 32 -4.794 -11.955 11.029 241 HG23 THR 32 HG23 THR 32 -6.539 -11.842 10.799 242 H SER 33 HN SER 33 -7.019 -11.411 7.126 243 HA SER 33 HA SER 33 -5.936 -11.654 4.470 244 HB2 SER 33 HB2 SER 33 -8.613 -10.600 5.414 245 HB3 SER 33 HB1 SER 33 -8.181 -10.933 3.737 246 HG SER 33 HG SER 33 -8.760 -12.905 4.116 247 H HIS 34 HN HIS 34 -5.624 -9.306 6.770 248 HA HIS 34 HA HIS 34 -6.092 -6.936 5.319 249 HB2 HIS 34 HB2 HIS 34 -4.407 -7.589 7.723 250 HB3 HIS 34 HB1 HIS 34 -4.406 -5.974 7.023 251 HD1 HIS 34 HD1 HIS 34 -5.372 -5.567 9.597 252 HD2 HIS 34 HD2 HIS 34 -7.920 -7.281 6.797 253 HE1 HIS 34 HE1 HIS 34 -7.692 -5.236 10.508 254 HE2 HIS 34 HE2 HIS 34 -9.211 -6.354 8.837 255 H VAL 35 HN VAL 35 -3.671 -9.293 5.007 256 HA VAL 35 HA VAL 35 -1.640 -7.540 3.958 257 HB VAL 35 HB VAL 35 -1.803 -10.551 3.748 258 HG11 VAL 35 HG11 VAL 35 0.165 -10.483 2.711 259 HG12 VAL 35 HG12 VAL 35 0.834 -9.373 3.907 260 HG13 VAL 35 HG13 VAL 35 -0.076 -8.745 2.533 261 HG21 VAL 35 HG21 VAL 35 -0.783 -8.771 5.933 262 HG22 VAL 35 HG22 VAL 35 -0.118 -10.386 5.688 263 HG23 VAL 35 HG23 VAL 35 -1.832 -10.184 6.048 264 H ALA 36 HN ALA 36 -3.910 -9.946 2.699 265 HA ALA 36 HA ALA 36 -3.250 -9.370 -0.053 266 HB1 ALA 36 HB1 ALA 36 -4.262 -11.562 1.138 267 HB2 ALA 36 HB2 ALA 36 -4.458 -11.210 -0.579 268 HB3 ALA 36 HB3 ALA 36 -5.751 -10.817 0.555 269 H SER 37 HN SER 37 -6.103 -8.908 2.021 270 HA SER 37 HA SER 37 -7.516 -7.324 0.124 271 HB2 SER 37 HB2 SER 37 -8.744 -8.479 1.867 272 HB3 SER 37 HB1 SER 37 -7.846 -7.622 3.120 273 HG SER 37 HG SER 37 -8.928 -5.794 2.670 274 H GLY 38 HN GLY 38 -4.779 -6.711 1.887 275 HA2 GLY 38 HA2 GLY 38 -5.170 -3.806 1.678 276 HA3 GLY 38 HA1 GLY 38 -4.406 -4.523 3.094 277 H CYS 39 HN CYS 39 -3.911 -5.898 -0.014 278 HA CYS 39 HA CYS 39 -1.088 -5.258 0.081 279 HB2 CYS 39 HB2 CYS 39 -2.118 -7.600 -0.475 280 HB3 CYS 39 HB1 CYS 39 -2.346 -6.917 -2.077 281 H ARG 40 HN ARG 40 -3.717 -5.157 -2.326 282 HA ARG 40 HA ARG 40 -2.417 -2.775 -3.448 283 HB2 ARG 40 HB2 ARG 40 -3.407 -3.760 -5.702 284 HB3 ARG 40 HB1 ARG 40 -1.764 -4.023 -5.145 285 HG2 ARG 40 HG2 ARG 40 -3.586 -6.016 -4.089 286 HG3 ARG 40 HG1 ARG 40 -3.610 -5.966 -5.851 287 HD2 ARG 40 HD2 ARG 40 -0.908 -5.788 -5.118 288 HD3 ARG 40 HD1 ARG 40 -1.609 -7.030 -4.080 289 HE ARG 40 HE ARG 40 -2.298 -7.293 -6.864 290 HH11 ARG 40 HH11 ARG 40 0.025 -8.108 -4.389 291 HH12 ARG 40 HH12 ARG 40 0.613 -9.504 -5.226 292 HH21 ARG 40 HH21 ARG 40 -1.526 -9.129 -7.965 293 HH22 ARG 40 HH22 ARG 40 -0.266 -10.084 -7.257 294 H VAL 41 HN VAL 41 -5.025 -3.452 -1.857 295 HA VAL 41 HA VAL 41 -6.518 -1.409 -3.277 296 HB VAL 41 HB VAL 41 -7.956 -3.920 -2.429 297 HG11 VAL 41 HG11 VAL 41 -9.845 -3.010 -3.557 298 HG12 VAL 41 HG12 VAL 41 -8.884 -1.696 -4.234 299 HG13 VAL 41 HG13 VAL 41 -9.207 -1.750 -2.502 300 HG21 VAL 41 HG21 VAL 41 -6.607 -4.625 -4.235 301 HG22 VAL 41 HG22 VAL 41 -6.900 -3.137 -5.134 302 HG23 VAL 41 HG23 VAL 41 -8.201 -4.308 -4.920 303 H ASN 42 HN ASN 42 -7.595 -0.034 -1.843 304 HA ASN 42 HA ASN 42 -7.842 1.021 0.191 305 HB2 ASN 42 HB2 ASN 42 -9.092 -0.321 1.914 306 HB3 ASN 42 HB1 ASN 42 -9.867 -0.274 0.334 307 HD21 ASN 42 HD21 ASN 42 -10.149 -2.130 -0.794 308 HD22 ASN 42 HD22 ASN 42 -9.740 -3.696 -0.189 309 H CYS 43 HN CYS 43 -5.637 -0.843 -0.518 310 HA CYS 43 HA CYS 43 -4.371 -1.759 1.857 311 HB2 CYS 43 HB2 CYS 43 -2.833 -2.693 0.312 312 HB3 CYS 43 HB1 CYS 43 -4.398 -2.835 -0.460 313 H PHE 44 HN PHE 44 -4.009 0.691 -0.573 314 HA PHE 44 HA PHE 44 -1.553 1.363 -0.362 315 HB2 PHE 44 HB2 PHE 44 -3.442 2.516 -1.670 316 HB3 PHE 44 HB1 PHE 44 -3.399 3.686 -0.348 317 HD1 PHE 44 HD1 PHE 44 -2.200 5.574 -0.890 318 HD2 PHE 44 HD2 PHE 44 -0.840 1.789 -2.274 319 HE1 PHE 44 HE1 PHE 44 -0.215 6.641 -1.877 320 HE2 PHE 44 HE2 PHE 44 1.140 2.854 -3.269 321 HZ PHE 44 HZ PHE 44 1.447 5.284 -3.073 322 H GLU 45 HN GLU 45 -3.777 3.361 1.585 323 HA GLU 45 HA GLU 45 -1.562 4.123 3.274 324 HB2 GLU 45 HB2 GLU 45 -4.385 4.990 2.945 325 HB3 GLU 45 HB1 GLU 45 -3.582 5.345 4.468 326 HG2 GLU 45 HG2 GLU 45 -1.954 6.675 3.426 327 HG3 GLU 45 HG1 GLU 45 -2.370 6.070 1.823 328 H ASN 46 HN ASN 46 -4.780 2.830 4.006 329 HA ASN 46 HA ASN 46 -4.599 2.435 6.641 330 HB2 ASN 46 HB2 ASN 46 -5.952 0.875 4.498 331 HB3 ASN 46 HB1 ASN 46 -5.976 0.242 6.141 332 HD21 ASN 46 HD21 ASN 46 -6.858 1.599 7.811 333 HD22 ASN 46 HD22 ASN 46 -8.086 2.749 7.420 334 H HIS 47 HN HIS 47 -3.769 -0.329 4.464 335 HA HIS 47 HA HIS 47 -2.151 -1.299 6.722 336 HB2 HIS 47 HB2 HIS 47 -3.331 -2.984 4.533 337 HB3 HIS 47 HB1 HIS 47 -2.614 -3.530 6.044 338 HD1 HIS 47 HD1 HIS 47 -5.613 -1.529 4.849 339 HD2 HIS 47 HD2 HIS 47 -4.403 -3.867 8.065 340 HE1 HIS 47 HE1 HIS 47 -7.645 -1.766 6.311 341 HE2 HIS 47 HE2 HIS 47 -6.911 -3.253 8.208 342 H VAL 48 HN VAL 48 -2.036 -1.214 3.121 343 HA VAL 48 HA VAL 48 0.476 -2.494 3.179 344 HB VAL 48 HB VAL 48 -1.239 -2.229 1.158 345 HG11 VAL 48 HG11 VAL 48 0.817 -0.377 0.089 346 HG12 VAL 48 HG12 VAL 48 -0.392 0.320 1.163 347 HG13 VAL 48 HG13 VAL 48 -0.895 -0.517 -0.300 348 HG21 VAL 48 HG21 VAL 48 0.246 -3.468 0.015 349 HG22 VAL 48 HG22 VAL 48 1.174 -3.396 1.512 350 HG23 VAL 48 HG23 VAL 48 1.541 -2.285 0.193 351 H PHE 49 HN PHE 49 -0.293 0.608 4.034 352 HA PHE 49 HA PHE 49 2.491 1.393 3.575 353 HB2 PHE 49 HB2 PHE 49 0.001 3.024 3.491 354 HB3 PHE 49 HB1 PHE 49 1.471 3.780 4.084 355 HD1 PHE 49 HD1 PHE 49 0.669 5.195 1.965 356 HD2 PHE 49 HD2 PHE 49 2.486 1.349 1.795 357 HE1 PHE 49 HE1 PHE 49 1.397 5.625 -0.340 358 HE2 PHE 49 HE2 PHE 49 3.213 1.783 -0.506 359 HZ PHE 49 HZ PHE 49 2.665 3.929 -1.576 360 H ASP 50 HN ASP 50 0.039 0.718 5.851 361 HA ASP 50 HA ASP 50 1.363 2.031 8.041 362 HB2 ASP 50 HB2 ASP 50 -1.043 0.289 7.707 363 HB3 ASP 50 HB1 ASP 50 -0.351 0.528 9.306 364 H ASP 51 HN ASP 51 0.830 -1.154 6.634 365 HA ASP 51 HA ASP 51 2.377 -2.380 8.694 366 HB2 ASP 51 HB2 ASP 51 1.109 -3.582 6.249 367 HB3 ASP 51 HB1 ASP 51 1.852 -4.498 7.557 368 H CYS 52 HN CYS 52 2.805 -1.748 5.255 369 HA CYS 52 HA CYS 52 5.309 -3.191 5.259 370 HB2 CYS 52 HB2 CYS 52 3.835 -1.677 3.130 371 HB3 CYS 52 HB1 CYS 52 5.442 -2.337 2.864 372 H VAL 53 HN VAL 53 4.615 0.172 4.254 373 HA VAL 53 HA VAL 53 7.361 0.859 4.545 374 HB VAL 53 HB VAL 53 6.142 3.301 4.651 375 HG11 VAL 53 HG11 VAL 53 7.103 3.581 2.636 376 HG12 VAL 53 HG12 VAL 53 6.323 2.158 1.946 377 HG13 VAL 53 HG13 VAL 53 7.763 1.976 2.946 378 HG21 VAL 53 HG21 VAL 53 3.959 1.904 4.438 379 HG22 VAL 53 HG22 VAL 53 4.399 1.837 2.735 380 HG23 VAL 53 HG23 VAL 53 4.153 3.395 3.523 381 H TYR 54 HN TYR 54 4.487 1.559 6.519 382 HA TYR 54 HA TYR 54 5.786 3.087 8.400 383 HB2 TYR 54 HB2 TYR 54 3.199 1.928 8.121 384 HB3 TYR 54 HB1 TYR 54 3.741 1.737 9.783 385 HD1 TYR 54 HD1 TYR 54 3.814 4.404 7.156 386 HD2 TYR 54 HD2 TYR 54 3.083 3.404 11.226 387 HE1 TYR 54 HE1 TYR 54 3.199 6.740 7.613 388 HE2 TYR 54 HE2 TYR 54 2.464 5.738 11.694 389 HH TYR 54 HH TYR 54 3.037 8.274 9.459 390 H GLU 55 HN GLU 55 6.036 -0.287 7.986 391 HA GLU 55 HA GLU 55 7.376 -0.400 10.607 392 HB2 GLU 55 HB2 GLU 55 5.441 -2.236 9.352 393 HB3 GLU 55 HB1 GLU 55 6.820 -3.009 10.119 394 HG2 GLU 55 HG2 GLU 55 5.408 -0.909 11.654 395 HG3 GLU 55 HG1 GLU 55 4.581 -2.449 11.423 396 H LEU 56 HN LEU 56 7.535 -1.162 7.207 397 HA LEU 56 HA LEU 56 10.116 -2.509 7.653 398 HB2 LEU 56 HB2 LEU 56 8.762 -2.323 4.990 399 HB3 LEU 56 HB1 LEU 56 9.955 -3.482 5.535 400 HG LEU 56 HG LEU 56 7.025 -3.378 6.174 401 HD11 LEU 56 HD11 LEU 56 7.594 -4.591 4.190 402 HD12 LEU 56 HD12 LEU 56 7.188 -5.755 5.452 403 HD13 LEU 56 HD13 LEU 56 8.876 -5.462 5.032 404 HD21 LEU 56 HD21 LEU 56 7.632 -3.903 8.295 405 HD22 LEU 56 HD22 LEU 56 9.232 -4.468 7.814 406 HD23 LEU 56 HD23 LEU 56 7.824 -5.507 7.587 407 H LEU 57 HN LEU 57 8.903 -0.340 5.106 408 HA LEU 57 HA LEU 57 11.593 0.562 4.594 409 HB2 LEU 57 HB2 LEU 57 9.061 0.520 3.180 410 HB3 LEU 57 HB1 LEU 57 9.922 2.031 2.959 411 HG LEU 57 HG LEU 57 11.404 -0.532 2.578 412 HD11 LEU 57 HD11 LEU 57 9.365 0.627 0.705 413 HD12 LEU 57 HD12 LEU 57 9.541 -1.041 1.252 414 HD13 LEU 57 HD13 LEU 57 10.715 -0.352 0.131 415 HD21 LEU 57 HD21 LEU 57 12.886 1.156 2.268 416 HD22 LEU 57 HD22 LEU 57 11.640 2.312 1.796 417 HD23 LEU 57 HD23 LEU 57 12.214 1.112 0.638 418 H LEU 58 HN LEU 58 8.556 2.381 5.058 419 HA LEU 58 HA LEU 58 10.183 4.485 6.335 420 HB2 LEU 58 HB2 LEU 58 7.791 4.996 4.583 421 HB3 LEU 58 HB1 LEU 58 8.933 6.171 5.204 422 HG LEU 58 HG LEU 58 9.878 3.994 3.378 423 HD11 LEU 58 HD11 LEU 58 8.500 4.724 1.782 424 HD12 LEU 58 HD12 LEU 58 9.537 6.149 1.728 425 HD13 LEU 58 HD13 LEU 58 8.061 6.169 2.691 426 HD21 LEU 58 HD21 LEU 58 10.904 6.747 3.232 427 HD22 LEU 58 HD22 LEU 58 11.766 5.209 3.223 428 HD23 LEU 58 HD23 LEU 58 11.210 5.900 4.747 429 H HIS 59 HN HIS 59 9.662 4.032 8.412 430 HA HIS 59 HA HIS 59 7.055 3.499 9.351 431 HB2 HIS 59 HB2 HIS 59 8.006 3.783 11.576 432 HB3 HIS 59 HB1 HIS 59 9.081 2.826 10.560 433 HD1 HIS 59 HD1 HIS 59 11.439 3.618 10.367 434 HD2 HIS 59 HD2 HIS 59 8.915 6.541 11.900 435 HE1 HIS 59 HE1 HIS 59 12.944 5.509 11.060 436 HE2 HIS 59 HE2 HIS 59 11.388 7.300 11.908 437 H ASN 60 HN ASN 60 8.645 6.400 8.476 438 HA ASN 60 HA ASN 60 6.416 7.962 9.539 439 HB2 ASN 60 HB2 ASN 60 9.001 8.117 10.535 440 HB3 ASN 60 HB1 ASN 60 8.907 9.471 9.413 441 HD21 ASN 60 HD21 ASN 60 8.864 9.057 12.460 442 HD22 ASN 60 HD22 ASN 60 7.577 10.087 12.977 443 HA PRO 61 HA PRO 61 8.349 10.102 5.633 444 HB2 PRO 61 HB2 PRO 61 9.591 7.764 4.315 445 HB3 PRO 61 HB1 PRO 61 10.162 9.432 4.424 446 HG2 PRO 61 HG2 PRO 61 11.294 7.515 5.883 447 HG3 PRO 61 HG1 PRO 61 11.030 9.136 6.555 448 HD2 PRO 61 HD2 PRO 61 9.454 6.627 6.981 449 HD3 PRO 61 HD1 PRO 61 9.941 7.861 8.162 450 H GLU 62 HN GLU 62 5.866 9.223 5.945 451 HA GLU 62 HA GLU 62 5.030 7.525 3.781 452 HB2 GLU 62 HB2 GLU 62 3.939 8.090 6.206 453 HB3 GLU 62 HB1 GLU 62 3.031 9.197 5.186 454 HG2 GLU 62 HG2 GLU 62 2.416 7.276 3.743 455 HG3 GLU 62 HG1 GLU 62 3.213 6.206 4.896 456 H GLU 63 HN GLU 63 6.048 10.641 4.080 457 HA GLU 63 HA GLU 63 4.495 12.423 2.815 458 HB2 GLU 63 HB2 GLU 63 7.393 11.820 2.329 459 HB3 GLU 63 HB1 GLU 63 6.600 13.243 1.675 460 HG2 GLU 63 HG2 GLU 63 6.436 12.713 4.601 461 HG3 GLU 63 HG1 GLU 63 7.930 13.362 3.925 462 H VAL 64 HN VAL 64 6.904 10.824 0.755 463 HA VAL 64 HA VAL 64 5.464 11.260 -1.623 464 HB VAL 64 HB VAL 64 7.009 9.515 -2.605 465 HG11 VAL 64 HG11 VAL 64 7.868 12.025 -1.255 466 HG12 VAL 64 HG12 VAL 64 7.789 11.635 -2.974 467 HG13 VAL 64 HG13 VAL 64 9.102 10.996 -1.984 468 HG21 VAL 64 HG21 VAL 64 8.716 9.634 -0.206 469 HG22 VAL 64 HG22 VAL 64 8.455 8.319 -1.352 470 HG23 VAL 64 HG23 VAL 64 7.279 8.620 -0.073 471 H LEU 65 HN LEU 65 4.788 9.203 0.869 472 HA LEU 65 HA LEU 65 3.659 7.085 -0.787 473 HB2 LEU 65 HB2 LEU 65 3.482 7.381 2.211 474 HB3 LEU 65 HB1 LEU 65 3.208 5.936 1.269 475 HG LEU 65 HG LEU 65 5.835 7.273 1.866 476 HD11 LEU 65 HD11 LEU 65 6.295 5.472 3.174 477 HD12 LEU 65 HD12 LEU 65 5.303 4.378 2.210 478 HD13 LEU 65 HD13 LEU 65 4.540 5.492 3.344 479 HD21 LEU 65 HD21 LEU 65 6.631 5.160 0.487 480 HD22 LEU 65 HD22 LEU 65 6.294 6.704 -0.297 481 HD23 LEU 65 HD23 LEU 65 5.090 5.416 -0.332 482 H LEU 66 HN LEU 66 2.920 10.033 0.681 483 HA LEU 66 HA LEU 66 0.092 9.587 0.803 484 HB2 LEU 66 HB2 LEU 66 1.942 11.512 1.878 485 HB3 LEU 66 HB1 LEU 66 0.628 12.338 1.064 486 HG LEU 66 HG LEU 66 -0.092 10.168 2.965 487 HD11 LEU 66 HD11 LEU 66 0.490 12.909 4.014 488 HD12 LEU 66 HD12 LEU 66 1.745 11.670 3.978 489 HD13 LEU 66 HD13 LEU 66 0.264 11.400 4.898 490 HD21 LEU 66 HD21 LEU 66 -1.248 12.879 2.323 491 HD22 LEU 66 HD22 LEU 66 -1.954 11.695 3.424 492 HD23 LEU 66 HD23 LEU 66 -1.817 11.328 1.705 493 H MET 67 HN MET 67 2.486 11.171 -1.184 494 HA MET 67 HA MET 67 0.677 12.532 -2.912 495 HB2 MET 67 HB2 MET 67 3.157 13.026 -2.589 496 HB3 MET 67 HB1 MET 67 3.473 11.628 -3.608 497 HG2 MET 67 HG2 MET 67 3.410 13.036 -5.318 498 HG3 MET 67 HG1 MET 67 1.663 13.071 -5.087 499 HE1 MET 67 HE1 MET 67 0.538 14.493 -3.439 500 HE2 MET 67 HE2 MET 67 0.858 16.224 -3.324 501 HE3 MET 67 HE3 MET 67 1.582 15.114 -2.160 502 H ARG 68 HN ARG 68 2.495 9.482 -3.154 503 HA ARG 68 HA ARG 68 1.670 8.651 -5.662 504 HB2 ARG 68 HB2 ARG 68 2.275 7.102 -3.148 505 HB3 ARG 68 HB1 ARG 68 1.879 6.297 -4.658 506 HG2 ARG 68 HG2 ARG 68 3.845 6.917 -5.666 507 HG3 ARG 68 HG1 ARG 68 4.056 8.329 -4.629 508 HD2 ARG 68 HD2 ARG 68 4.273 6.525 -2.741 509 HD3 ARG 68 HD1 ARG 68 4.673 5.459 -4.087 510 HE ARG 68 HE ARG 68 6.304 7.558 -2.989 511 HH11 ARG 68 HH11 ARG 68 5.666 5.608 -5.812 512 HH12 ARG 68 HH12 ARG 68 7.260 5.802 -6.461 513 HH21 ARG 68 HH21 ARG 68 8.400 7.815 -3.841 514 HH22 ARG 68 HH22 ARG 68 8.813 7.055 -5.342 515 H ASP 69 HN ASP 69 0.033 8.458 -2.571 516 HA ASP 69 HA ASP 69 -2.170 6.888 -3.273 517 HB2 ASP 69 HB2 ASP 69 -1.626 7.480 -0.943 518 HB3 ASP 69 HB1 ASP 69 -2.034 9.160 -1.273 519 H ALA 70 HN ALA 70 -1.321 10.079 -4.150 520 HA ALA 70 HA ALA 70 -3.889 11.155 -4.657 521 HB1 ALA 70 HB1 ALA 70 -2.806 12.925 -5.689 522 HB2 ALA 70 HB2 ALA 70 -1.507 11.905 -6.308 523 HB3 ALA 70 HB3 ALA 70 -1.556 12.329 -4.596 524 H ILE 71 HN ILE 71 -1.669 9.125 -6.414 525 HA ILE 71 HA ILE 71 -3.486 9.004 -8.709 526 HB ILE 71 HB ILE 71 -0.742 7.794 -8.416 527 HG12 ILE 71 HG12 ILE 71 -0.289 9.706 -10.176 528 HG13 ILE 71 HG11 ILE 71 -1.675 10.460 -9.394 529 HG21 ILE 71 HG21 ILE 71 -1.152 8.042 -11.068 530 HG22 ILE 71 HG22 ILE 71 -2.801 7.746 -10.519 531 HG23 ILE 71 HG23 ILE 71 -1.527 6.583 -10.150 532 HD11 ILE 71 HD11 ILE 71 1.034 10.400 -8.555 533 HD12 ILE 71 HD12 ILE 71 0.054 9.557 -7.355 534 HD13 ILE 71 HD13 ILE 71 -0.341 11.215 -7.808 535 H ARG 72 HN ARG 72 -1.706 6.842 -6.463 536 HA ARG 72 HA ARG 72 -2.957 4.456 -7.247 537 HB2 ARG 72 HB2 ARG 72 -1.354 5.417 -4.961 538 HB3 ARG 72 HB1 ARG 72 -2.461 4.116 -4.549 539 HG2 ARG 72 HG2 ARG 72 -0.834 3.739 -6.976 540 HG3 ARG 72 HG1 ARG 72 0.021 3.705 -5.437 541 HD2 ARG 72 HD2 ARG 72 -2.377 2.138 -5.310 542 HD3 ARG 72 HD1 ARG 72 -1.404 1.645 -6.674 543 HE ARG 72 HE ARG 72 0.203 1.854 -4.377 544 HH11 ARG 72 HH11 ARG 72 -2.187 -0.193 -5.867 545 HH12 ARG 72 HH12 ARG 72 -1.723 -1.601 -4.972 546 HH21 ARG 72 HH21 ARG 72 0.794 0.003 -3.165 547 HH22 ARG 72 HH22 ARG 72 -0.033 -1.491 -3.447 548 H GLY 73 HN GLY 73 -3.676 6.712 -4.577 549 HA2 GLY 73 HA2 GLY 73 -6.319 5.455 -4.276 550 HA3 GLY 73 HA1 GLY 73 -5.540 6.492 -3.090 Start of MODEL 10 1 H1 GLN 1 HN GLN 1 -21.270 4.100 3.264 2 HA GLN 1 HA GLN 1 -18.708 4.295 4.659 3 HB2 GLN 1 HB2 GLN 1 -19.847 1.841 3.715 4 HB3 GLN 1 HB1 GLN 1 -18.423 2.213 2.752 5 HG2 GLN 1 HG2 GLN 1 -18.372 2.285 5.748 6 HG3 GLN 1 HG1 GLN 1 -18.104 0.798 4.840 7 HE21 GLN 1 HE21 GLN 1 -16.213 1.941 6.549 8 HE22 GLN 1 HE22 GLN 1 -14.859 2.453 5.607 9 H ILE 2 HN ILE 2 -16.943 3.841 2.724 10 HA ILE 2 HA ILE 2 -17.781 5.442 0.409 11 HB ILE 2 HB ILE 2 -15.345 6.416 0.570 12 HG12 ILE 2 HG12 ILE 2 -15.997 5.991 3.493 13 HG13 ILE 2 HG11 ILE 2 -14.808 5.044 2.606 14 HG21 ILE 2 HG21 ILE 2 -17.132 7.711 2.529 15 HG22 ILE 2 HG22 ILE 2 -17.800 7.426 0.922 16 HG23 ILE 2 HG23 ILE 2 -16.326 8.377 1.109 17 HD11 ILE 2 HD11 ILE 2 -13.264 6.584 2.953 18 HD12 ILE 2 HD12 ILE 2 -14.418 7.457 3.961 19 HD13 ILE 2 HD13 ILE 2 -14.287 7.832 2.242 20 H PHE 3 HN PHE 3 -15.251 3.360 1.789 21 HA PHE 3 HA PHE 3 -13.889 1.796 0.852 22 HB2 PHE 3 HB2 PHE 3 -16.132 1.813 -1.166 23 HB3 PHE 3 HB1 PHE 3 -14.762 0.715 -1.288 24 HD1 PHE 3 HD1 PHE 3 -14.293 -0.787 0.748 25 HD2 PHE 3 HD2 PHE 3 -17.983 1.230 0.096 26 HE1 PHE 3 HE1 PHE 3 -15.419 -2.364 2.265 27 HE2 PHE 3 HE2 PHE 3 -19.116 -0.343 1.612 28 HZ PHE 3 HZ PHE 3 -17.833 -2.142 2.700 29 H ASP 4 HN ASP 4 -11.953 2.463 0.174 30 HA ASP 4 HA ASP 4 -11.773 3.747 -2.456 31 HB2 ASP 4 HB2 ASP 4 -11.666 5.353 -0.386 32 HB3 ASP 4 HB1 ASP 4 -10.022 4.738 -0.239 33 H SER 5 HN SER 5 -9.921 3.356 -3.606 34 HA SER 5 HA SER 5 -8.009 1.441 -2.453 35 HB2 SER 5 HB2 SER 5 -7.804 0.542 -4.829 36 HB3 SER 5 HB1 SER 5 -9.313 0.171 -3.997 37 HG SER 5 HG SER 5 -10.002 0.930 -5.894 38 H SER 6 HN SER 6 -6.616 3.169 -1.934 39 HA SER 6 HA SER 6 -5.796 5.123 -3.791 40 HB2 SER 6 HB2 SER 6 -5.436 5.594 -1.477 41 HB3 SER 6 HB1 SER 6 -4.514 4.108 -1.262 42 HG SER 6 HG SER 6 -3.694 6.161 -3.025 43 H CYS 7 HN CYS 7 -4.622 1.857 -3.340 44 HA CYS 7 HA CYS 7 -2.453 2.629 -5.126 45 HB2 CYS 7 HB2 CYS 7 -2.297 -0.061 -5.164 46 HB3 CYS 7 HB1 CYS 7 -1.577 0.891 -3.874 47 H LYS 8 HN LYS 8 -2.630 2.499 -7.280 48 HA LYS 8 HA LYS 8 -4.891 0.973 -8.393 49 HB2 LYS 8 HB2 LYS 8 -5.362 3.415 -8.454 50 HB3 LYS 8 HB1 LYS 8 -3.907 3.645 -9.416 51 HG2 LYS 8 HG2 LYS 8 -4.875 2.893 -11.301 52 HG3 LYS 8 HG1 LYS 8 -5.819 1.665 -10.456 53 HD2 LYS 8 HD2 LYS 8 -6.722 4.280 -9.691 54 HD3 LYS 8 HD1 LYS 8 -6.702 4.149 -11.450 55 HE2 LYS 8 HE2 LYS 8 -7.780 1.749 -10.297 56 HE3 LYS 8 HE1 LYS 8 -8.634 3.156 -9.667 57 HZ1 LYS 8 HZ1 LYS 8 -9.675 3.416 -11.592 58 HZ2 LYS 8 HZ2 LYS 8 -9.029 1.938 -12.101 59 HZ3 LYS 8 HZ3 LYS 8 -8.229 3.381 -12.471 60 H GLY 9 HN GLY 9 -4.460 -0.160 -10.240 61 HA2 GLY 9 HA2 GLY 9 -2.030 -1.256 -10.659 62 HA3 GLY 9 HA1 GLY 9 -3.212 -1.079 -11.944 63 H VAL 10 HN VAL 10 -2.901 1.971 -11.628 64 HA VAL 10 HA VAL 10 -0.844 2.135 -13.557 65 HB VAL 10 HB VAL 10 -2.292 4.476 -12.412 66 HG11 VAL 10 HG11 VAL 10 -0.739 5.451 -13.740 67 HG12 VAL 10 HG12 VAL 10 -1.916 5.069 -14.996 68 HG13 VAL 10 HG13 VAL 10 -0.527 4.013 -14.738 69 HG21 VAL 10 HG21 VAL 10 -3.183 2.462 -14.442 70 HG22 VAL 10 HG22 VAL 10 -3.753 4.128 -14.523 71 HG23 VAL 10 HG23 VAL 10 -4.077 3.155 -13.089 72 H TYR 11 HN TYR 11 -1.199 3.950 -10.554 73 HA TYR 11 HA TYR 11 1.611 4.593 -10.792 74 HB2 TYR 11 HB2 TYR 11 -0.481 5.984 -9.671 75 HB3 TYR 11 HB1 TYR 11 0.353 5.349 -8.264 76 HD1 TYR 11 HD1 TYR 11 1.648 7.048 -7.333 77 HD2 TYR 11 HD2 TYR 11 1.605 6.545 -11.557 78 HE1 TYR 11 HE1 TYR 11 3.370 8.792 -7.559 79 HE2 TYR 11 HE2 TYR 11 3.322 8.288 -11.790 80 HH TYR 11 HH TYR 11 4.061 10.457 -9.497 81 H ASP 12 HN ASP 12 -0.434 2.290 -9.601 82 HA ASP 12 HA ASP 12 1.396 1.266 -7.574 83 HB2 ASP 12 HB2 ASP 12 -1.123 1.194 -7.409 84 HB3 ASP 12 HB1 ASP 12 -1.062 -0.011 -8.690 85 H ARG 13 HN ARG 13 1.359 1.438 -10.705 86 HA ARG 13 HA ARG 13 1.997 -1.223 -11.528 87 HB2 ARG 13 HB2 ARG 13 1.043 0.814 -12.949 88 HB3 ARG 13 HB1 ARG 13 2.746 1.191 -13.129 89 HG2 ARG 13 HG2 ARG 13 2.712 -1.457 -13.747 90 HG3 ARG 13 HG1 ARG 13 1.147 -0.922 -14.362 91 HD2 ARG 13 HD2 ARG 13 2.914 1.068 -15.150 92 HD3 ARG 13 HD1 ARG 13 3.812 -0.429 -15.391 93 HE ARG 13 HE ARG 13 1.484 -1.023 -16.547 94 HH11 ARG 13 HH11 ARG 13 3.510 1.809 -16.828 95 HH12 ARG 13 HH12 ARG 13 3.020 2.149 -18.453 96 HH21 ARG 13 HH21 ARG 13 0.845 -0.576 -18.686 97 HH22 ARG 13 HH22 ARG 13 1.509 0.797 -19.508 98 H ALA 14 HN ALA 14 3.435 1.787 -10.699 99 HA ALA 14 HA ALA 14 6.176 0.915 -11.113 100 HB1 ALA 14 HB1 ALA 14 6.823 3.087 -10.534 101 HB2 ALA 14 HB2 ALA 14 5.367 3.366 -9.578 102 HB3 ALA 14 HB3 ALA 14 5.272 3.323 -11.339 103 H ILE 15 HN ILE 15 3.826 1.121 -8.596 104 HA ILE 15 HA ILE 15 5.691 0.581 -6.503 105 HB ILE 15 HB ILE 15 3.978 0.865 -5.026 106 HG12 ILE 15 HG12 ILE 15 1.499 0.675 -5.944 107 HG13 ILE 15 HG11 ILE 15 2.284 -0.453 -7.040 108 HG21 ILE 15 HG21 ILE 15 3.952 2.631 -7.189 109 HG22 ILE 15 HG22 ILE 15 3.512 2.935 -5.511 110 HG23 ILE 15 HG23 ILE 15 2.286 2.414 -6.658 111 HD11 ILE 15 HD11 ILE 15 3.192 -1.605 -5.005 112 HD12 ILE 15 HD12 ILE 15 1.450 -1.711 -5.232 113 HD13 ILE 15 HD13 ILE 15 2.121 -0.587 -4.050 114 H PHE 16 HN PHE 16 3.535 -1.136 -8.626 115 HA PHE 16 HA PHE 16 3.191 -3.552 -7.391 116 HB2 PHE 16 HB2 PHE 16 2.270 -3.025 -9.614 117 HB3 PHE 16 HB1 PHE 16 3.887 -3.120 -10.302 118 HD1 PHE 16 HD1 PHE 16 0.915 -4.886 -9.605 119 HD2 PHE 16 HD2 PHE 16 5.124 -5.383 -9.988 120 HE1 PHE 16 HE1 PHE 16 0.591 -7.293 -9.997 121 HE2 PHE 16 HE2 PHE 16 4.808 -7.791 -10.382 122 HZ PHE 16 HZ PHE 16 2.539 -8.749 -10.387 123 H ASN 17 HN ASN 17 5.963 -2.478 -9.284 124 HA ASN 17 HA ASN 17 7.465 -4.850 -8.612 125 HB2 ASN 17 HB2 ASN 17 7.530 -3.394 -10.804 126 HB3 ASN 17 HB1 ASN 17 8.719 -2.464 -9.896 127 HD21 ASN 17 HD21 ASN 17 10.370 -3.049 -11.295 128 HD22 ASN 17 HD22 ASN 17 11.057 -4.635 -11.297 129 H GLU 18 HN GLU 18 7.234 -1.543 -7.434 130 HA GLU 18 HA GLU 18 9.697 -1.785 -5.961 131 HB2 GLU 18 HB2 GLU 18 8.714 0.311 -7.246 132 HB3 GLU 18 HB1 GLU 18 7.906 0.575 -5.707 133 HG2 GLU 18 HG2 GLU 18 10.148 0.443 -4.607 134 HG3 GLU 18 HG1 GLU 18 10.864 0.424 -6.218 135 H LEU 19 HN LEU 19 6.335 -0.873 -5.247 136 HA LEU 19 HA LEU 19 6.859 -1.336 -2.518 137 HB2 LEU 19 HB2 LEU 19 4.311 -0.475 -3.804 138 HB3 LEU 19 HB1 LEU 19 4.732 -0.309 -2.108 139 HG LEU 19 HG LEU 19 5.905 1.176 -4.453 140 HD11 LEU 19 HD11 LEU 19 3.712 1.723 -2.879 141 HD12 LEU 19 HD12 LEU 19 4.621 2.895 -3.834 142 HD13 LEU 19 HD13 LEU 19 4.994 2.671 -2.125 143 HD21 LEU 19 HD21 LEU 19 7.111 0.521 -1.894 144 HD22 LEU 19 HD22 LEU 19 6.979 2.263 -2.139 145 HD23 LEU 19 HD23 LEU 19 7.826 1.267 -3.323 146 H GLU 20 HN GLU 20 4.613 -2.547 -4.913 147 HA GLU 20 HA GLU 20 3.194 -4.182 -3.371 148 HB2 GLU 20 HB2 GLU 20 2.664 -3.912 -5.709 149 HB3 GLU 20 HB1 GLU 20 4.085 -4.837 -6.152 150 HG2 GLU 20 HG2 GLU 20 2.216 -6.198 -4.350 151 HG3 GLU 20 HG1 GLU 20 1.607 -5.862 -5.970 152 H HIS 21 HN HIS 21 6.432 -4.815 -4.575 153 HA HIS 21 HA HIS 21 6.616 -7.516 -3.798 154 HB2 HIS 21 HB2 HIS 21 8.620 -5.328 -4.180 155 HB3 HIS 21 HB1 HIS 21 9.114 -6.804 -3.353 156 HD1 HIS 21 HD1 HIS 21 9.492 -8.873 -4.773 157 HD2 HIS 21 HD2 HIS 21 7.908 -5.690 -6.921 158 HE1 HIS 21 HE1 HIS 21 9.636 -9.555 -7.189 159 HE2 HIS 21 HE2 HIS 21 8.758 -7.575 -8.475 160 H VAL 22 HN VAL 22 7.194 -4.472 -2.110 161 HA VAL 22 HA VAL 22 8.073 -5.473 0.339 162 HB VAL 22 HB VAL 22 6.197 -3.119 0.096 163 HG11 VAL 22 HG11 VAL 22 6.696 -3.737 2.360 164 HG12 VAL 22 HG12 VAL 22 7.591 -2.267 1.975 165 HG13 VAL 22 HG13 VAL 22 8.421 -3.822 2.006 166 HG21 VAL 22 HG21 VAL 22 8.302 -1.761 -0.196 167 HG22 VAL 22 HG22 VAL 22 7.821 -2.724 -1.592 168 HG23 VAL 22 HG23 VAL 22 9.134 -3.274 -0.552 169 H CYS 23 HN CYS 23 4.847 -5.129 -1.029 170 HA CYS 23 HA CYS 23 3.423 -5.936 1.294 171 HB2 CYS 23 HB2 CYS 23 1.594 -5.596 0.039 172 HB3 CYS 23 HB1 CYS 23 2.702 -4.978 -1.172 173 H ASN 24 HN ASN 24 4.723 -7.628 -1.527 174 HA ASN 24 HA ASN 24 3.832 -10.206 -0.934 175 HB2 ASN 24 HB2 ASN 24 5.956 -9.013 -2.568 176 HB3 ASN 24 HB1 ASN 24 6.401 -10.588 -1.917 177 HD21 ASN 24 HD21 ASN 24 3.585 -9.014 -3.402 178 HD22 ASN 24 HD22 ASN 24 3.190 -10.330 -4.449 179 H ASP 25 HN ASP 25 6.290 -8.164 0.405 180 HA ASP 25 HA ASP 25 7.501 -10.229 2.034 181 HB2 ASP 25 HB2 ASP 25 8.496 -7.931 1.145 182 HB3 ASP 25 HB1 ASP 25 7.825 -7.324 2.656 183 H CYS 26 HN CYS 26 5.484 -7.344 2.662 184 HA CYS 26 HA CYS 26 5.068 -7.813 5.394 185 HB2 CYS 26 HB2 CYS 26 3.138 -6.446 3.510 186 HB3 CYS 26 HB1 CYS 26 3.311 -6.178 5.242 187 H TYR 27 HN TYR 27 3.729 -9.322 2.611 188 HA TYR 27 HA TYR 27 1.236 -10.181 3.344 189 HB2 TYR 27 HB2 TYR 27 2.689 -10.662 1.223 190 HB3 TYR 27 HB1 TYR 27 3.151 -12.121 2.091 191 HD1 TYR 27 HD1 TYR 27 0.841 -10.734 -0.158 192 HD2 TYR 27 HD2 TYR 27 1.123 -13.524 3.041 193 HE1 TYR 27 HE1 TYR 27 -1.202 -11.845 -0.955 194 HE2 TYR 27 HE2 TYR 27 -0.919 -14.644 2.252 195 HH TYR 27 HH TYR 27 -2.092 -14.655 -0.435 196 H ASN 28 HN ASN 28 4.307 -11.205 4.637 197 HA ASN 28 HA ASN 28 3.805 -13.659 5.724 198 HB2 ASN 28 HB2 ASN 28 5.854 -11.959 5.930 199 HB3 ASN 28 HB1 ASN 28 5.136 -11.689 7.515 200 HD21 ASN 28 HD21 ASN 28 7.374 -13.431 5.909 201 HD22 ASN 28 HD22 ASN 28 7.476 -14.813 6.940 202 H LEU 29 HN LEU 29 2.724 -10.532 6.949 203 HA LEU 29 HA LEU 29 1.656 -11.503 9.388 204 HB2 LEU 29 HB2 LEU 29 2.147 -9.047 8.456 205 HB3 LEU 29 HB1 LEU 29 0.437 -9.131 8.078 206 HG LEU 29 HG LEU 29 0.027 -9.711 10.498 207 HD11 LEU 29 HD11 LEU 29 1.813 -9.075 12.083 208 HD12 LEU 29 HD12 LEU 29 2.925 -8.919 10.724 209 HD13 LEU 29 HD13 LEU 29 2.221 -10.489 11.111 210 HD21 LEU 29 HD21 LEU 29 0.097 -7.336 9.286 211 HD22 LEU 29 HD22 LEU 29 1.362 -7.069 10.486 212 HD23 LEU 29 HD23 LEU 29 -0.263 -7.519 11.003 213 H TYR 30 HN TYR 30 -0.225 -12.482 9.831 214 HA TYR 30 HA TYR 30 -2.256 -13.471 9.557 215 HB2 TYR 30 HB2 TYR 30 -2.638 -11.346 7.436 216 HB3 TYR 30 HB1 TYR 30 -3.913 -12.350 8.118 217 HD1 TYR 30 HD1 TYR 30 -3.824 -12.292 10.858 218 HD2 TYR 30 HD2 TYR 30 -2.575 -9.191 8.228 219 HE1 TYR 30 HE1 TYR 30 -4.170 -10.643 12.649 220 HE2 TYR 30 HE2 TYR 30 -2.917 -7.533 10.011 221 HH TYR 30 HH TYR 30 -3.275 -8.334 13.222 222 H ARG 31 HN ARG 31 -3.781 -14.304 7.584 223 HA ARG 31 HA ARG 31 -1.936 -15.703 5.764 224 HB2 ARG 31 HB2 ARG 31 -3.597 -16.827 7.616 225 HB3 ARG 31 HB1 ARG 31 -4.600 -16.883 6.173 226 HG2 ARG 31 HG2 ARG 31 -2.155 -17.784 5.278 227 HG3 ARG 31 HG1 ARG 31 -2.281 -18.473 6.898 228 HD2 ARG 31 HD2 ARG 31 -4.477 -19.397 6.327 229 HD3 ARG 31 HD1 ARG 31 -4.342 -18.714 4.707 230 HE ARG 31 HE ARG 31 -2.123 -20.382 5.289 231 HH11 ARG 31 HH11 ARG 31 -5.506 -20.497 4.439 232 HH12 ARG 31 HH12 ARG 31 -5.390 -22.046 3.675 233 HH21 ARG 31 HH21 ARG 31 -1.968 -22.420 4.285 234 HH22 ARG 31 HH22 ARG 31 -3.382 -23.139 3.588 235 H THR 32 HN THR 32 -4.700 -13.658 5.969 236 HA THR 32 HA THR 32 -4.690 -13.108 3.205 237 HB THR 32 HB THR 32 -7.334 -14.070 3.400 238 HG1 THR 32 HG1 THR 32 -7.034 -16.227 3.893 239 HG21 THR 32 HG21 THR 32 -5.080 -14.367 1.669 240 HG22 THR 32 HG22 THR 32 -6.798 -14.552 1.316 241 HG23 THR 32 HG23 THR 32 -5.866 -15.927 1.909 242 H SER 33 HN SER 33 -6.922 -11.946 2.632 243 HA SER 33 HA SER 33 -8.431 -10.293 3.062 244 HB2 SER 33 HB2 SER 33 -8.592 -11.726 5.349 245 HB3 SER 33 HB1 SER 33 -8.008 -10.188 5.985 246 HG SER 33 HG SER 33 -10.427 -10.646 5.612 247 H HIS 34 HN HIS 34 -5.984 -9.894 5.613 248 HA HIS 34 HA HIS 34 -5.787 -7.081 5.064 249 HB2 HIS 34 HB2 HIS 34 -5.569 -8.183 7.352 250 HB3 HIS 34 HB1 HIS 34 -3.956 -8.675 6.850 251 HD1 HIS 34 HD1 HIS 34 -5.945 -5.438 7.121 252 HD2 HIS 34 HD2 HIS 34 -2.058 -6.861 7.489 253 HE1 HIS 34 HE1 HIS 34 -4.577 -3.469 7.881 254 HE2 HIS 34 HE2 HIS 34 -2.248 -4.378 8.188 255 H VAL 35 HN VAL 35 -4.117 -9.906 4.044 256 HA VAL 35 HA VAL 35 -1.730 -8.491 3.230 257 HB VAL 35 HB VAL 35 -0.987 -10.631 2.331 258 HG11 VAL 35 HG11 VAL 35 -0.476 -10.402 4.603 259 HG12 VAL 35 HG12 VAL 35 -1.211 -12.000 4.478 260 HG13 VAL 35 HG13 VAL 35 -2.152 -10.642 5.094 261 HG21 VAL 35 HG21 VAL 35 -2.842 -11.665 1.400 262 HG22 VAL 35 HG22 VAL 35 -3.823 -11.426 2.844 263 HG23 VAL 35 HG23 VAL 35 -2.541 -12.636 2.841 264 H ALA 36 HN ALA 36 -4.576 -9.936 1.751 265 HA ALA 36 HA ALA 36 -3.776 -9.264 -0.935 266 HB1 ALA 36 HB1 ALA 36 -5.092 -11.097 -1.093 267 HB2 ALA 36 HB2 ALA 36 -6.368 -9.886 -1.217 268 HB3 ALA 36 HB3 ALA 36 -6.045 -10.671 0.329 269 H SER 37 HN SER 37 -6.359 -8.196 1.265 270 HA SER 37 HA SER 37 -7.213 -6.066 -0.412 271 HB2 SER 37 HB2 SER 37 -8.811 -5.646 1.190 272 HB3 SER 37 HB1 SER 37 -8.401 -7.306 1.619 273 HG SER 37 HG SER 37 -7.519 -4.913 2.849 274 H GLY 38 HN GLY 38 -4.422 -6.429 1.368 275 HA2 GLY 38 HA2 GLY 38 -4.101 -3.504 1.570 276 HA3 GLY 38 HA1 GLY 38 -3.464 -4.599 2.787 277 H CYS 39 HN CYS 39 -3.277 -5.839 -0.352 278 HA CYS 39 HA CYS 39 -0.403 -5.423 -0.369 279 HB2 CYS 39 HB2 CYS 39 -2.106 -7.556 -1.243 280 HB3 CYS 39 HB1 CYS 39 -1.123 -6.998 -2.593 281 H ARG 40 HN ARG 40 -3.003 -5.303 -2.827 282 HA ARG 40 HA ARG 40 -1.592 -2.999 -3.978 283 HB2 ARG 40 HB2 ARG 40 -2.487 -3.986 -6.233 284 HB3 ARG 40 HB1 ARG 40 -0.921 -4.403 -5.564 285 HG2 ARG 40 HG2 ARG 40 -2.934 -6.190 -4.554 286 HG3 ARG 40 HG1 ARG 40 -2.978 -6.145 -6.316 287 HD2 ARG 40 HD2 ARG 40 -0.923 -7.081 -6.530 288 HD3 ARG 40 HD1 ARG 40 -0.307 -6.324 -5.062 289 HE ARG 40 HE ARG 40 -2.119 -8.163 -4.175 290 HH11 ARG 40 HH11 ARG 40 0.723 -8.289 -6.196 291 HH12 ARG 40 HH12 ARG 40 1.131 -9.908 -5.737 292 HH21 ARG 40 HH21 ARG 40 -1.585 -10.294 -3.571 293 HH22 ARG 40 HH22 ARG 40 -0.180 -11.047 -4.248 294 H VAL 41 HN VAL 41 -4.317 -3.543 -2.485 295 HA VAL 41 HA VAL 41 -5.629 -1.496 -4.053 296 HB VAL 41 HB VAL 41 -7.222 -3.933 -3.277 297 HG11 VAL 41 HG11 VAL 41 -8.848 -2.902 -4.918 298 HG12 VAL 41 HG12 VAL 41 -7.838 -1.456 -4.870 299 HG13 VAL 41 HG13 VAL 41 -8.623 -2.034 -3.400 300 HG21 VAL 41 HG21 VAL 41 -5.958 -3.222 -5.914 301 HG22 VAL 41 HG22 VAL 41 -7.297 -4.361 -5.766 302 HG23 VAL 41 HG23 VAL 41 -5.759 -4.700 -4.973 303 H ASN 42 HN ASN 42 -6.785 -0.058 -2.775 304 HA ASN 42 HA ASN 42 -7.175 1.078 -0.808 305 HB2 ASN 42 HB2 ASN 42 -8.669 -0.047 0.781 306 HB3 ASN 42 HB1 ASN 42 -9.203 -0.337 -0.871 307 HD21 ASN 42 HD21 ASN 42 -8.229 -1.727 2.063 308 HD22 ASN 42 HD22 ASN 42 -8.254 -3.381 1.565 309 H CYS 43 HN CYS 43 -4.957 -0.877 -1.273 310 HA CYS 43 HA CYS 43 -3.903 -1.665 1.250 311 HB2 CYS 43 HB2 CYS 43 -2.318 -2.787 -0.083 312 HB3 CYS 43 HB1 CYS 43 -3.790 -2.878 -1.022 313 H PHE 44 HN PHE 44 -3.294 0.610 -1.302 314 HA PHE 44 HA PHE 44 -0.848 1.266 -0.911 315 HB2 PHE 44 HB2 PHE 44 -2.495 2.353 -2.494 316 HB3 PHE 44 HB1 PHE 44 -2.723 3.555 -1.223 317 HD1 PHE 44 HD1 PHE 44 -1.518 5.469 -1.534 318 HD2 PHE 44 HD2 PHE 44 0.168 1.757 -2.728 319 HE1 PHE 44 HE1 PHE 44 0.528 6.633 -2.238 320 HE2 PHE 44 HE2 PHE 44 2.225 2.900 -3.434 321 HZ PHE 44 HZ PHE 44 2.405 5.355 -3.180 322 H GLU 45 HN GLU 45 -3.216 3.392 0.696 323 HA GLU 45 HA GLU 45 -1.173 4.256 2.542 324 HB2 GLU 45 HB2 GLU 45 -3.949 5.094 1.891 325 HB3 GLU 45 HB1 GLU 45 -3.283 5.557 3.451 326 HG2 GLU 45 HG2 GLU 45 -1.276 6.178 1.648 327 HG3 GLU 45 HG1 GLU 45 -2.764 6.632 0.819 328 H ASN 46 HN ASN 46 -4.459 3.007 3.051 329 HA ASN 46 HA ASN 46 -4.480 2.784 5.729 330 HB2 ASN 46 HB2 ASN 46 -5.873 1.480 3.544 331 HB3 ASN 46 HB1 ASN 46 -5.770 0.450 4.968 332 HD21 ASN 46 HD21 ASN 46 -7.367 0.660 6.341 333 HD22 ASN 46 HD22 ASN 46 -8.332 2.073 6.582 334 H HIS 47 HN HIS 47 -3.605 -0.107 3.756 335 HA HIS 47 HA HIS 47 -2.220 -1.055 6.169 336 HB2 HIS 47 HB2 HIS 47 -3.107 -2.798 3.895 337 HB3 HIS 47 HB1 HIS 47 -2.696 -3.268 5.540 338 HD1 HIS 47 HD1 HIS 47 -5.465 -3.755 3.948 339 HD2 HIS 47 HD2 HIS 47 -4.738 -0.989 6.963 340 HE1 HIS 47 HE1 HIS 47 -7.714 -3.249 4.952 341 HE2 HIS 47 HE2 HIS 47 -7.261 -1.501 6.709 342 H VAL 48 HN VAL 48 -1.761 -1.113 2.598 343 HA VAL 48 HA VAL 48 0.738 -2.366 2.914 344 HB VAL 48 HB VAL 48 -0.845 -2.044 0.743 345 HG11 VAL 48 HG11 VAL 48 0.035 -0.598 -0.863 346 HG12 VAL 48 HG12 VAL 48 1.545 -0.379 0.019 347 HG13 VAL 48 HG13 VAL 48 0.065 0.366 0.610 348 HG21 VAL 48 HG21 VAL 48 0.881 -3.754 1.129 349 HG22 VAL 48 HG22 VAL 48 2.120 -2.594 0.652 350 HG23 VAL 48 HG23 VAL 48 0.912 -3.125 -0.518 351 H PHE 49 HN PHE 49 -0.101 0.785 3.571 352 HA PHE 49 HA PHE 49 2.719 1.550 3.325 353 HB2 PHE 49 HB2 PHE 49 0.255 3.149 2.931 354 HB3 PHE 49 HB1 PHE 49 1.600 3.948 3.732 355 HD1 PHE 49 HD1 PHE 49 1.607 5.502 1.771 356 HD2 PHE 49 HD2 PHE 49 2.490 1.356 1.388 357 HE1 PHE 49 HE1 PHE 49 2.682 5.922 -0.401 358 HE2 PHE 49 HE2 PHE 49 3.567 1.775 -0.778 359 HZ PHE 49 HZ PHE 49 3.664 4.064 -1.674 360 H ASP 50 HN ASP 50 0.105 0.924 5.421 361 HA ASP 50 HA ASP 50 1.248 2.305 7.676 362 HB2 ASP 50 HB2 ASP 50 -1.220 2.001 7.394 363 HB3 ASP 50 HB1 ASP 50 -0.971 0.263 7.546 364 H ASP 51 HN ASP 51 0.845 -0.899 6.297 365 HA ASP 51 HA ASP 51 2.245 -2.089 8.479 366 HB2 ASP 51 HB2 ASP 51 0.289 -3.011 6.882 367 HB3 ASP 51 HB1 ASP 51 1.694 -3.732 6.103 368 H CYS 52 HN CYS 52 2.908 -1.432 5.083 369 HA CYS 52 HA CYS 52 5.434 -2.831 5.268 370 HB2 CYS 52 HB2 CYS 52 4.144 -1.319 3.013 371 HB3 CYS 52 HB1 CYS 52 5.722 -2.078 2.890 372 H VAL 53 HN VAL 53 4.718 0.503 4.190 373 HA VAL 53 HA VAL 53 7.421 1.244 4.728 374 HB VAL 53 HB VAL 53 6.255 3.663 4.575 375 HG11 VAL 53 HG11 VAL 53 6.435 2.910 1.905 376 HG12 VAL 53 HG12 VAL 53 7.544 1.832 2.747 377 HG13 VAL 53 HG13 VAL 53 7.724 3.578 2.905 378 HG21 VAL 53 HG21 VAL 53 4.284 3.763 3.472 379 HG22 VAL 53 HG22 VAL 53 4.053 2.236 4.315 380 HG23 VAL 53 HG23 VAL 53 4.549 2.237 2.627 381 H TYR 54 HN TYR 54 4.333 2.067 6.323 382 HA TYR 54 HA TYR 54 5.481 3.619 8.286 383 HB2 TYR 54 HB2 TYR 54 3.019 3.451 7.723 384 HB3 TYR 54 HB1 TYR 54 2.988 2.025 8.746 385 HD1 TYR 54 HD1 TYR 54 3.417 2.227 11.175 386 HD2 TYR 54 HD2 TYR 54 3.098 5.645 8.664 387 HE1 TYR 54 HE1 TYR 54 3.087 3.644 13.157 388 HE2 TYR 54 HE2 TYR 54 2.768 7.073 10.639 389 HH TYR 54 HH TYR 54 2.180 5.776 13.767 390 H GLU 55 HN GLU 55 5.618 0.222 8.028 391 HA GLU 55 HA GLU 55 6.602 0.165 10.805 392 HB2 GLU 55 HB2 GLU 55 5.385 -2.141 9.287 393 HB3 GLU 55 HB1 GLU 55 5.941 -2.168 10.952 394 HG2 GLU 55 HG2 GLU 55 4.129 -0.053 10.819 395 HG3 GLU 55 HG1 GLU 55 3.402 -1.355 9.881 396 H LEU 56 HN LEU 56 7.201 -0.729 7.479 397 HA LEU 56 HA LEU 56 9.704 -2.030 8.325 398 HB2 LEU 56 HB2 LEU 56 8.765 -2.019 5.488 399 HB3 LEU 56 HB1 LEU 56 9.807 -3.163 6.304 400 HG LEU 56 HG LEU 56 6.817 -2.914 6.552 401 HD11 LEU 56 HD11 LEU 56 7.469 -4.149 4.623 402 HD12 LEU 56 HD12 LEU 56 6.951 -5.311 5.844 403 HD13 LEU 56 HD13 LEU 56 8.670 -5.058 5.540 404 HD21 LEU 56 HD21 LEU 56 8.808 -4.240 8.326 405 HD22 LEU 56 HD22 LEU 56 7.258 -5.032 8.038 406 HD23 LEU 56 HD23 LEU 56 7.305 -3.413 8.737 407 H LEU 57 HN LEU 57 8.829 0.019 5.536 408 HA LEU 57 HA LEU 57 11.568 0.907 5.350 409 HB2 LEU 57 HB2 LEU 57 9.142 1.172 3.648 410 HB3 LEU 57 HB1 LEU 57 10.506 2.238 3.370 411 HG LEU 57 HG LEU 57 11.150 -0.640 3.552 412 HD11 LEU 57 HD11 LEU 57 10.181 -1.348 1.610 413 HD12 LEU 57 HD12 LEU 57 10.047 0.282 0.950 414 HD13 LEU 57 HD13 LEU 57 8.925 -0.259 2.197 415 HD21 LEU 57 HD21 LEU 57 12.074 1.793 2.134 416 HD22 LEU 57 HD22 LEU 57 12.336 0.240 1.340 417 HD23 LEU 57 HD23 LEU 57 13.000 0.531 2.947 418 H LEU 58 HN LEU 58 8.511 2.757 5.315 419 HA LEU 58 HA LEU 58 9.980 4.927 6.669 420 HB2 LEU 58 HB2 LEU 58 7.715 5.353 4.741 421 HB3 LEU 58 HB1 LEU 58 8.841 6.542 5.366 422 HG LEU 58 HG LEU 58 9.802 4.268 3.661 423 HD11 LEU 58 HD11 LEU 58 9.271 6.885 2.391 424 HD12 LEU 58 HD12 LEU 58 7.880 5.845 2.697 425 HD13 LEU 58 HD13 LEU 58 9.220 5.259 1.711 426 HD21 LEU 58 HD21 LEU 58 11.144 6.158 5.073 427 HD22 LEU 58 HD22 LEU 58 10.997 6.944 3.501 428 HD23 LEU 58 HD23 LEU 58 11.764 5.360 3.627 429 H HIS 59 HN HIS 59 9.288 4.542 8.715 430 HA HIS 59 HA HIS 59 6.601 4.035 9.434 431 HB2 HIS 59 HB2 HIS 59 7.342 4.363 11.719 432 HB3 HIS 59 HB1 HIS 59 8.539 3.418 10.837 433 HD1 HIS 59 HD1 HIS 59 10.818 4.560 10.340 434 HD2 HIS 59 HD2 HIS 59 8.203 6.866 12.599 435 HE1 HIS 59 HE1 HIS 59 12.209 6.438 11.269 436 HE2 HIS 59 HE2 HIS 59 10.585 7.872 12.554 437 H ASN 60 HN ASN 60 8.282 6.886 8.582 438 HA ASN 60 HA ASN 60 5.989 8.509 9.386 439 HB2 ASN 60 HB2 ASN 60 8.759 8.789 10.247 440 HB3 ASN 60 HB1 ASN 60 8.149 10.254 9.484 441 HD21 ASN 60 HD21 ASN 60 7.298 11.636 10.842 442 HD22 ASN 60 HD22 ASN 60 6.488 11.256 12.319 443 HA PRO 61 HA PRO 61 8.292 10.463 5.570 444 HB2 PRO 61 HB2 PRO 61 9.736 8.093 4.545 445 HB3 PRO 61 HB1 PRO 61 10.255 9.780 4.625 446 HG2 PRO 61 HG2 PRO 61 11.249 7.980 6.311 447 HG3 PRO 61 HG1 PRO 61 10.863 9.623 6.861 448 HD2 PRO 61 HD2 PRO 61 9.304 7.091 7.216 449 HD3 PRO 61 HD1 PRO 61 9.625 8.385 8.392 450 H GLU 62 HN GLU 62 5.835 9.633 5.606 451 HA GLU 62 HA GLU 62 5.357 7.860 3.352 452 HB2 GLU 62 HB2 GLU 62 4.091 7.884 5.681 453 HB3 GLU 62 HB1 GLU 62 3.147 9.146 4.903 454 HG2 GLU 62 HG2 GLU 62 2.950 7.388 2.976 455 HG3 GLU 62 HG1 GLU 62 3.331 6.246 4.263 456 H GLU 63 HN GLU 63 5.979 11.023 3.897 457 HA GLU 63 HA GLU 63 4.228 12.702 2.735 458 HB2 GLU 63 HB2 GLU 63 7.201 12.537 2.367 459 HB3 GLU 63 HB1 GLU 63 6.251 13.891 1.775 460 HG2 GLU 63 HG2 GLU 63 5.694 13.311 4.558 461 HG3 GLU 63 HG1 GLU 63 7.401 13.648 4.277 462 H VAL 64 HN VAL 64 6.914 11.724 0.637 463 HA VAL 64 HA VAL 64 5.477 12.146 -1.736 464 HB VAL 64 HB VAL 64 7.291 10.785 -2.830 465 HG11 VAL 64 HG11 VAL 64 7.630 13.257 -1.260 466 HG12 VAL 64 HG12 VAL 64 7.884 12.957 -2.979 467 HG13 VAL 64 HG13 VAL 64 9.117 12.485 -1.811 468 HG21 VAL 64 HG21 VAL 64 7.643 9.504 -0.578 469 HG22 VAL 64 HG22 VAL 64 8.743 10.836 -0.222 470 HG23 VAL 64 HG23 VAL 64 9.014 9.824 -1.640 471 H LEU 65 HN LEU 65 5.048 9.778 0.525 472 HA LEU 65 HA LEU 65 4.354 7.671 -1.360 473 HB2 LEU 65 HB2 LEU 65 4.875 7.871 1.512 474 HB3 LEU 65 HB1 LEU 65 3.471 6.890 1.144 475 HG LEU 65 HG LEU 65 5.002 5.635 -0.493 476 HD11 LEU 65 HD11 LEU 65 7.423 5.758 0.590 477 HD12 LEU 65 HD12 LEU 65 6.922 7.423 0.883 478 HD13 LEU 65 HD13 LEU 65 6.941 6.785 -0.761 479 HD21 LEU 65 HD21 LEU 65 5.051 4.059 1.078 480 HD22 LEU 65 HD22 LEU 65 4.375 5.261 2.177 481 HD23 LEU 65 HD23 LEU 65 6.119 5.013 2.108 482 H LEU 66 HN LEU 66 3.070 10.344 0.249 483 HA LEU 66 HA LEU 66 0.345 9.469 0.106 484 HB2 LEU 66 HB2 LEU 66 1.408 10.995 1.924 485 HB3 LEU 66 HB1 LEU 66 1.196 12.269 0.738 486 HG LEU 66 HG LEU 66 -1.155 10.575 1.456 487 HD11 LEU 66 HD11 LEU 66 -0.316 11.125 3.623 488 HD12 LEU 66 HD12 LEU 66 -1.674 12.195 3.277 489 HD13 LEU 66 HD13 LEU 66 -0.022 12.797 3.143 490 HD21 LEU 66 HD21 LEU 66 -2.399 12.462 0.817 491 HD22 LEU 66 HD22 LEU 66 -1.098 12.350 -0.368 492 HD23 LEU 66 HD23 LEU 66 -1.001 13.530 0.939 493 H MET 67 HN MET 67 2.575 11.662 -1.472 494 HA MET 67 HA MET 67 0.729 12.902 -3.224 495 HB2 MET 67 HB2 MET 67 3.117 13.645 -2.677 496 HB3 MET 67 HB1 MET 67 3.649 12.421 -3.822 497 HG2 MET 67 HG2 MET 67 1.678 13.895 -5.150 498 HG3 MET 67 HG1 MET 67 2.675 15.076 -4.303 499 HE1 MET 67 HE1 MET 67 5.085 15.952 -5.589 500 HE2 MET 67 HE2 MET 67 6.173 14.565 -5.636 501 HE3 MET 67 HE3 MET 67 5.184 14.862 -4.206 502 H ARG 68 HN ARG 68 2.842 10.072 -3.505 503 HA ARG 68 HA ARG 68 2.361 9.392 -6.150 504 HB2 ARG 68 HB2 ARG 68 3.128 7.906 -3.697 505 HB3 ARG 68 HB1 ARG 68 2.518 6.943 -5.034 506 HG2 ARG 68 HG2 ARG 68 5.041 7.294 -4.857 507 HG3 ARG 68 HG1 ARG 68 4.285 7.535 -6.430 508 HD2 ARG 68 HD2 ARG 68 4.742 9.745 -6.453 509 HD3 ARG 68 HD1 ARG 68 4.445 9.929 -4.726 510 HE ARG 68 HE ARG 68 6.686 9.716 -4.380 511 HH11 ARG 68 HH11 ARG 68 5.928 8.338 -7.494 512 HH12 ARG 68 HH12 ARG 68 7.583 8.038 -7.904 513 HH21 ARG 68 HH21 ARG 68 8.864 9.323 -4.917 514 HH22 ARG 68 HH22 ARG 68 9.250 8.596 -6.441 515 H ASP 69 HN ASP 69 0.454 8.805 -3.266 516 HA ASP 69 HA ASP 69 -1.520 7.136 -4.348 517 HB2 ASP 69 HB2 ASP 69 -1.859 7.130 -2.115 518 HB3 ASP 69 HB1 ASP 69 -1.136 8.716 -1.909 519 H ALA 70 HN ALA 70 -0.802 10.356 -5.011 520 HA ALA 70 HA ALA 70 -3.421 11.347 -5.555 521 HB1 ALA 70 HB1 ALA 70 -1.369 12.777 -5.196 522 HB2 ALA 70 HB2 ALA 70 -2.348 13.205 -6.600 523 HB3 ALA 70 HB3 ALA 70 -0.849 12.301 -6.813 524 H ILE 71 HN ILE 71 -0.832 9.863 -7.405 525 HA ILE 71 HA ILE 71 -2.504 9.684 -9.783 526 HB ILE 71 HB ILE 71 0.307 8.689 -9.301 527 HG12 ILE 71 HG12 ILE 71 0.097 11.150 -9.227 528 HG13 ILE 71 HG11 ILE 71 1.028 10.606 -10.620 529 HG21 ILE 71 HG21 ILE 71 0.367 8.558 -11.807 530 HG22 ILE 71 HG22 ILE 71 -1.377 8.818 -11.796 531 HG23 ILE 71 HG23 ILE 71 -0.695 7.383 -11.032 532 HD11 ILE 71 HD11 ILE 71 -1.888 11.328 -10.730 533 HD12 ILE 71 HD12 ILE 71 -0.807 11.007 -12.086 534 HD13 ILE 71 HD13 ILE 71 -0.573 12.445 -11.093 535 H ARG 72 HN ARG 72 -0.841 7.570 -7.443 536 HA ARG 72 HA ARG 72 -1.717 5.074 -8.309 537 HB2 ARG 72 HB2 ARG 72 -0.543 6.254 -5.940 538 HB3 ARG 72 HB1 ARG 72 -1.816 5.154 -5.452 539 HG2 ARG 72 HG2 ARG 72 -0.598 3.371 -5.924 540 HG3 ARG 72 HG1 ARG 72 -0.071 4.024 -7.468 541 HD2 ARG 72 HD2 ARG 72 1.100 5.336 -5.128 542 HD3 ARG 72 HD1 ARG 72 1.528 3.637 -5.296 543 HE ARG 72 HE ARG 72 1.909 4.886 -7.760 544 HH11 ARG 72 HH11 ARG 72 3.311 4.856 -4.578 545 HH12 ARG 72 HH12 ARG 72 4.870 5.367 -5.126 546 HH21 ARG 72 HH21 ARG 72 3.950 5.543 -8.491 547 HH22 ARG 72 HH22 ARG 72 5.233 5.759 -7.348 548 H GLY 73 HN GLY 73 -3.072 6.985 -5.614 549 HA2 GLY 73 HA2 GLY 73 -5.609 5.604 -5.804 550 HA3 GLY 73 HA1 GLY 73 -5.191 6.872 -4.662
Contact the webmaster for help, if required. Monday, April 29, 2024 7:56:23 AM GMT (wattos1)