NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
645427 | 6urp | 16667 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 9.911 -8.935 -3.594 2 HA SER 1 HA SER 1 7.401 -9.989 -4.690 3 HB2 SER 1 HB2 SER 1 6.486 -8.977 -2.681 4 HB3 SER 1 HB1 SER 1 7.898 -9.929 -2.230 5 HG SER 1 HG SER 1 8.944 -8.148 -1.746 6 H GLU 2 HN GLU 2 7.628 -8.831 -6.736 7 HA GLU 2 HA GLU 2 7.497 -5.904 -6.561 8 HB2 GLU 2 HB2 GLU 2 8.330 -7.872 -8.585 9 HB3 GLU 2 HB1 GLU 2 7.341 -6.596 -9.270 10 HG2 GLU 2 HG2 GLU 2 8.913 -4.948 -8.104 11 HG3 GLU 2 HG1 GLU 2 9.930 -6.332 -7.717 12 HA PRO 3 HA PRO 3 3.256 -4.836 -7.129 13 HB2 PRO 3 HB2 PRO 3 3.892 -4.526 -10.031 14 HB3 PRO 3 HB1 PRO 3 2.848 -3.636 -8.938 15 HG2 PRO 3 HG2 PRO 3 5.370 -2.837 -9.474 16 HG3 PRO 3 HG1 PRO 3 4.647 -2.596 -7.870 17 HD2 PRO 3 HD2 PRO 3 6.757 -4.503 -8.686 18 HD3 PRO 3 HD1 PRO 3 6.367 -3.922 -7.059 19 H ASP 4 HN ASP 4 3.838 -6.172 -10.219 20 HA ASP 4 HA ASP 4 1.647 -8.152 -10.086 21 HB2 ASP 4 HB2 ASP 4 2.604 -8.288 -12.680 22 HB3 ASP 4 HB1 ASP 4 1.293 -7.256 -12.150 23 H GLU 5 HN GLU 5 4.287 -8.578 -8.720 24 HA GLU 5 HA GLU 5 5.248 -10.944 -10.213 25 HB2 GLU 5 HB2 GLU 5 7.271 -10.045 -9.584 26 HB3 GLU 5 HB1 GLU 5 6.483 -8.991 -8.415 27 HG2 GLU 5 HG2 GLU 5 6.476 -10.736 -6.737 28 HG3 GLU 5 HG1 GLU 5 6.959 -11.948 -7.924 29 H ILE 6 HN ILE 6 4.247 -9.897 -6.969 30 HA ILE 6 HA ILE 6 4.132 -12.490 -5.845 31 HB ILE 6 HB ILE 6 2.640 -9.959 -5.108 32 HG12 ILE 6 HG12 ILE 6 5.094 -9.770 -4.978 33 HG13 ILE 6 HG11 ILE 6 4.381 -9.752 -3.370 34 HG21 ILE 6 HG21 ILE 6 2.499 -11.148 -2.838 35 HG22 ILE 6 HG22 ILE 6 2.903 -12.627 -3.708 36 HG23 ILE 6 HG23 ILE 6 1.426 -11.749 -4.103 37 HD11 ILE 6 HD11 ILE 6 4.836 -12.387 -3.523 38 HD12 ILE 6 HD12 ILE 6 6.098 -11.268 -3.031 39 HD13 ILE 6 HD13 ILE 6 6.047 -11.865 -4.686 40 H CYS 7 HN CYS 7 1.706 -10.494 -7.438 41 HA CYS 7 HA CYS 7 -0.471 -12.205 -6.940 42 HB2 CYS 7 HB2 CYS 7 -0.183 -9.750 -8.195 43 HB3 CYS 7 HB1 CYS 7 -0.620 -10.808 -9.532 44 H ARG 8 HN ARG 8 1.764 -12.090 -9.624 45 HA ARG 8 HA ARG 8 0.561 -14.140 -11.165 46 HB2 ARG 8 HB2 ARG 8 2.193 -12.526 -12.081 47 HB3 ARG 8 HB1 ARG 8 3.467 -13.310 -11.146 48 HG2 ARG 8 HG2 ARG 8 3.060 -15.425 -12.316 49 HG3 ARG 8 HG1 ARG 8 1.728 -14.692 -13.211 50 HD2 ARG 8 HD2 ARG 8 3.706 -14.697 -14.619 51 HD3 ARG 8 HD1 ARG 8 3.337 -13.037 -14.160 52 HE ARG 8 HE ARG 8 5.142 -14.131 -12.283 53 HH11 ARG 8 HH11 ARG 8 7.329 -13.551 -12.427 54 HH12 ARG 8 HH12 ARG 8 7.959 -12.924 -13.914 55 HH21 ARG 8 HH21 ARG 8 4.927 -13.129 -15.586 56 HH22 ARG 8 HH22 ARG 8 6.596 -12.684 -15.704 57 H ALA 9 HN ALA 9 3.067 -14.206 -8.695 58 HA ALA 9 HA ALA 9 3.853 -16.854 -8.987 59 HB1 ALA 9 HB1 ALA 9 4.810 -16.502 -6.673 60 HB2 ALA 9 HB2 ALA 9 3.771 -15.240 -6.429 61 HB3 ALA 9 HB3 ALA 9 5.084 -15.141 -7.681 62 H ARG 10 HN ARG 10 0.859 -15.617 -7.910 63 HA ARG 10 HA ARG 10 0.291 -17.970 -6.260 64 HB2 ARG 10 HB2 ARG 10 -0.136 -15.756 -5.273 65 HB3 ARG 10 HB1 ARG 10 -1.248 -15.379 -6.583 66 HG2 ARG 10 HG2 ARG 10 -2.743 -17.152 -5.920 67 HG3 ARG 10 HG1 ARG 10 -1.578 -17.766 -4.747 68 HD2 ARG 10 HD2 ARG 10 -1.771 -15.704 -3.444 69 HD3 ARG 10 HD1 ARG 10 -2.859 -15.020 -4.649 70 HE ARG 10 HE ARG 10 -4.579 -16.379 -3.822 71 HH11 ARG 10 HH11 ARG 10 -5.448 -17.744 -2.232 72 HH12 ARG 10 HH12 ARG 10 -4.394 -18.559 -1.125 73 HH21 ARG 10 HH21 ARG 10 -1.498 -17.226 -2.487 74 HH22 ARG 10 HH22 ARG 10 -2.158 -18.266 -1.268 75 H MET 11 HN MET 11 -0.201 -16.740 -9.403 76 HA MET 11 HA MET 11 -2.454 -18.599 -9.806 77 HB2 MET 11 HB2 MET 11 -3.215 -17.065 -11.659 78 HB3 MET 11 HB1 MET 11 -3.365 -16.442 -10.017 79 HG2 MET 11 HG2 MET 11 -1.348 -15.148 -10.282 80 HG3 MET 11 HG1 MET 11 -1.021 -15.871 -11.845 81 HE1 MET 11 HE1 MET 11 -4.255 -12.921 -10.630 82 HE2 MET 11 HE2 MET 11 -3.342 -14.053 -9.636 83 HE3 MET 11 HE3 MET 11 -4.724 -14.622 -10.570 84 H THR 12 HN THR 12 -2.568 -19.539 -11.951 85 HA THR 12 HA THR 12 0.034 -20.278 -12.987 86 HB THR 12 HB THR 12 -1.391 -21.464 -14.742 87 HG1 THR 12 HG1 THR 12 -3.342 -20.310 -13.062 88 HG21 THR 12 HG21 THR 12 -1.812 -21.996 -11.792 89 HG22 THR 12 HG22 THR 12 -0.519 -22.639 -12.805 90 HG23 THR 12 HG23 THR 12 -2.186 -23.146 -13.074 91 H HIS 13 HN HIS 13 0.586 -20.053 -15.311 92 HA HIS 13 HA HIS 13 0.448 -17.324 -16.164 93 HB2 HIS 13 HB2 HIS 13 1.359 -19.856 -17.553 94 HB3 HIS 13 HB1 HIS 13 1.459 -18.259 -18.296 95 HD1 HIS 13 HD1 HIS 13 2.805 -20.245 -15.373 96 HD2 HIS 13 HD2 HIS 13 3.553 -16.646 -17.339 97 HE1 HIS 13 HE1 HIS 13 4.980 -19.353 -14.430 98 H LYS 14 HN LYS 14 -1.296 -20.243 -17.230 99 HA LYS 14 HA LYS 14 -2.611 -19.032 -19.364 100 HB2 LYS 14 HB2 LYS 14 -2.665 -21.371 -19.215 101 HB3 LYS 14 HB1 LYS 14 -3.310 -21.318 -17.537 102 HG2 LYS 14 HG2 LYS 14 -5.446 -20.488 -18.367 103 HG3 LYS 14 HG1 LYS 14 -4.802 -20.353 -20.003 104 HD2 LYS 14 HD2 LYS 14 -4.497 -22.804 -20.067 105 HD3 LYS 14 HD1 LYS 14 -5.160 -22.921 -18.434 106 HE2 LYS 14 HE2 LYS 14 -7.280 -21.973 -19.188 107 HE3 LYS 14 HE1 LYS 14 -6.629 -21.749 -20.811 108 HZ1 LYS 14 HZ1 LYS 14 -6.619 -24.413 -19.556 109 HZ2 LYS 14 HZ2 LYS 14 -6.594 -24.005 -21.205 110 HZ3 LYS 14 HZ3 LYS 14 -8.024 -23.828 -20.305 111 H GLU 15 HN GLU 15 -3.513 -19.230 -15.947 112 HA GLU 15 HA GLU 15 -6.042 -17.991 -16.287 113 HB2 GLU 15 HB2 GLU 15 -5.375 -19.358 -14.312 114 HB3 GLU 15 HB1 GLU 15 -4.299 -18.051 -13.818 115 HG2 GLU 15 HG2 GLU 15 -6.195 -16.507 -13.677 116 HG3 GLU 15 HG1 GLU 15 -7.287 -17.776 -14.230 117 H PHE 16 HN PHE 16 -2.853 -16.790 -15.348 118 HA PHE 16 HA PHE 16 -3.570 -14.101 -14.887 119 HB2 PHE 16 HB2 PHE 16 -1.392 -14.899 -14.171 120 HB3 PHE 16 HB1 PHE 16 -0.951 -15.279 -15.851 121 HD1 PHE 16 HD1 PHE 16 -0.037 -13.644 -17.275 122 HD2 PHE 16 HD2 PHE 16 -1.865 -12.440 -13.580 123 HE1 PHE 16 HE1 PHE 16 0.800 -11.335 -17.607 124 HE2 PHE 16 HE2 PHE 16 -1.026 -10.138 -13.910 125 HZ PHE 16 HZ PHE 16 0.305 -9.582 -15.925 126 H ASN 17 HN ASN 17 -2.412 -15.675 -17.893 127 HA ASN 17 HA ASN 17 -2.469 -13.319 -19.479 128 HB2 ASN 17 HB2 ASN 17 -2.675 -16.255 -20.165 129 HB3 ASN 17 HB1 ASN 17 -2.580 -14.979 -21.375 130 HD21 ASN 17 HD21 ASN 17 -0.544 -17.044 -20.994 131 HD22 ASN 17 HD22 ASN 17 0.881 -16.251 -20.526 132 H TYR 18 HN TYR 18 -4.930 -15.786 -18.849 133 HA TYR 18 HA TYR 18 -6.810 -14.910 -20.716 134 HB2 TYR 18 HB2 TYR 18 -7.059 -17.033 -19.693 135 HB3 TYR 18 HB1 TYR 18 -7.174 -16.314 -18.069 136 HD1 TYR 18 HD1 TYR 18 -8.917 -17.037 -21.216 137 HD2 TYR 18 HD2 TYR 18 -9.193 -15.013 -17.444 138 HE1 TYR 18 HE1 TYR 18 -11.363 -16.777 -21.533 139 HE2 TYR 18 HE2 TYR 18 -11.636 -14.751 -17.754 140 HH TYR 18 HH TYR 18 -13.374 -15.176 -19.055 141 H LYS 19 HN LYS 19 -6.607 -14.191 -17.280 142 HA LYS 19 HA LYS 19 -8.782 -12.378 -17.179 143 HB2 LYS 19 HB2 LYS 19 -6.358 -12.492 -15.374 144 HB3 LYS 19 HB1 LYS 19 -7.912 -11.738 -15.023 145 HG2 LYS 19 HG2 LYS 19 -7.724 -14.674 -15.685 146 HG3 LYS 19 HG1 LYS 19 -7.477 -14.092 -14.042 147 HD2 LYS 19 HD2 LYS 19 -9.705 -13.005 -14.102 148 HD3 LYS 19 HD1 LYS 19 -9.964 -13.640 -15.723 149 HE2 LYS 19 HE2 LYS 19 -9.767 -15.936 -14.886 150 HE3 LYS 19 HE1 LYS 19 -9.465 -15.325 -13.259 151 HZ1 LYS 19 HZ1 LYS 19 -11.910 -14.712 -14.821 152 HZ2 LYS 19 HZ2 LYS 19 -11.622 -14.371 -13.181 153 HZ3 LYS 19 HZ3 LYS 19 -11.807 -15.979 -13.697 154 H SER 20 HN SER 20 -5.341 -11.934 -17.742 155 HA SER 20 HA SER 20 -5.348 -9.122 -17.599 156 HB2 SER 20 HB2 SER 20 -3.246 -10.463 -17.613 157 HB3 SER 20 HB1 SER 20 -3.574 -10.921 -19.282 158 HG SER 20 HG SER 20 -2.774 -9.080 -19.870 159 H ASN 21 HN ASN 21 -5.940 -11.271 -20.277 160 HA ASN 21 HA ASN 21 -6.297 -9.281 -22.288 161 HB2 ASN 21 HB2 ASN 21 -5.991 -11.706 -22.759 162 HB3 ASN 21 HB1 ASN 21 -7.593 -12.004 -22.075 163 HD21 ASN 21 HD21 ASN 21 -8.533 -12.676 -24.131 164 HD22 ASN 21 HD22 ASN 21 -8.787 -11.569 -25.393 165 H VAL 22 HN VAL 22 -8.478 -10.658 -19.892 166 HA VAL 22 HA VAL 22 -10.889 -9.564 -20.916 167 HB VAL 22 HB VAL 22 -10.105 -10.345 -18.115 168 HG11 VAL 22 HG11 VAL 22 -12.664 -10.464 -17.872 169 HG12 VAL 22 HG12 VAL 22 -12.728 -9.437 -19.302 170 HG13 VAL 22 HG13 VAL 22 -11.936 -8.860 -17.836 171 HG21 VAL 22 HG21 VAL 22 -10.147 -12.117 -19.904 172 HG22 VAL 22 HG22 VAL 22 -11.842 -11.734 -20.173 173 HG23 VAL 22 HG23 VAL 22 -11.321 -12.384 -18.618 174 H CYS 23 HN CYS 23 -8.618 -8.415 -18.411 175 HA CYS 23 HA CYS 23 -9.980 -5.946 -17.912 176 HB2 CYS 23 HB2 CYS 23 -7.181 -6.943 -17.362 177 HB3 CYS 23 HB1 CYS 23 -7.691 -5.266 -17.005 178 H ASN 24 HN ASN 24 -7.353 -6.846 -20.144 179 HA ASN 24 HA ASN 24 -6.844 -4.178 -20.948 180 HB2 ASN 24 HB2 ASN 24 -6.393 -6.833 -22.336 181 HB3 ASN 24 HB1 ASN 24 -5.825 -5.286 -22.961 182 HD21 ASN 24 HD21 ASN 24 -4.027 -7.404 -22.194 183 HD22 ASN 24 HD22 ASN 24 -3.135 -6.867 -20.854 184 H GLY 25 HN GLY 25 -9.331 -6.478 -21.862 185 HA2 GLY 25 HA2 GLY 25 -10.063 -4.839 -24.143 186 HA3 GLY 25 HA1 GLY 25 -10.906 -6.300 -23.654 187 H CYS 26 HN CYS 26 -10.373 -4.325 -20.971 188 HA CYS 26 HA CYS 26 -13.174 -3.726 -20.879 189 HB2 CYS 26 HB2 CYS 26 -11.835 -4.415 -18.826 190 HB3 CYS 26 HB1 CYS 26 -11.066 -2.824 -18.909 191 H GLY 27 HN GLY 27 -10.353 -1.767 -21.778 192 HA2 GLY 27 HA2 GLY 27 -10.999 0.035 -23.116 193 HA3 GLY 27 HA1 GLY 27 -12.178 0.544 -21.936 194 H ASP 28 HN ASP 28 -11.545 2.209 -20.682 195 HA ASP 28 HA ASP 28 -8.675 2.747 -20.398 196 HB2 ASP 28 HB2 ASP 28 -11.148 4.403 -19.858 197 HB3 ASP 28 HB1 ASP 28 -9.510 4.951 -19.490 198 H GLN 29 HN GLN 29 -10.620 0.808 -18.876 199 HA GLN 29 HA GLN 29 -9.979 1.675 -16.095 200 HB2 GLN 29 HB2 GLN 29 -11.745 -0.622 -16.934 201 HB3 GLN 29 HB1 GLN 29 -11.581 0.110 -15.339 202 HG2 GLN 29 HG2 GLN 29 -13.574 1.035 -16.229 203 HG3 GLN 29 HG1 GLN 29 -12.351 2.295 -16.400 204 HE21 GLN 29 HE21 GLN 29 -12.769 3.321 -18.371 205 HE22 GLN 29 HE22 GLN 29 -13.058 2.513 -19.835 206 H VAL 30 HN VAL 30 -8.405 0.174 -18.441 207 HA VAL 30 HA VAL 30 -7.711 -2.328 -17.733 208 HB VAL 30 HB VAL 30 -5.559 -0.296 -18.332 209 HG11 VAL 30 HG11 VAL 30 -5.967 -3.219 -18.998 210 HG12 VAL 30 HG12 VAL 30 -4.734 -2.525 -17.947 211 HG13 VAL 30 HG13 VAL 30 -4.680 -2.229 -19.685 212 HG21 VAL 30 HG21 VAL 30 -7.751 -1.351 -20.106 213 HG22 VAL 30 HG22 VAL 30 -6.190 -0.886 -20.782 214 HG23 VAL 30 HG23 VAL 30 -7.170 0.303 -19.927 215 H ALA 31 HN ALA 31 -6.263 0.603 -16.243 216 HA ALA 31 HA ALA 31 -4.646 -0.939 -14.523 217 HB1 ALA 31 HB1 ALA 31 -5.361 1.956 -13.987 218 HB2 ALA 31 HB2 ALA 31 -4.225 1.472 -15.228 219 HB3 ALA 31 HB3 ALA 31 -3.921 1.020 -13.550 220 H ALA 32 HN ALA 32 -7.837 0.565 -14.062 221 HA ALA 32 HA ALA 32 -8.069 0.024 -11.316 222 HB1 ALA 32 HB1 ALA 32 -10.587 0.048 -11.956 223 HB2 ALA 32 HB2 ALA 32 -10.023 0.409 -13.588 224 HB3 ALA 32 HB3 ALA 32 -9.706 1.545 -12.293 225 H CYS 33 HN CYS 33 -8.877 -1.747 -14.212 226 HA CYS 33 HA CYS 33 -10.175 -3.927 -12.962 227 HB2 CYS 33 HB2 CYS 33 -10.428 -3.339 -15.366 228 HB3 CYS 33 HB1 CYS 33 -8.784 -3.900 -15.628 229 H GLU 34 HN GLU 34 -6.818 -3.236 -13.804 230 HA GLU 34 HA GLU 34 -5.884 -5.853 -13.156 231 HB2 GLU 34 HB2 GLU 34 -4.612 -3.244 -13.942 232 HB3 GLU 34 HB1 GLU 34 -3.607 -4.539 -13.348 233 HG2 GLU 34 HG2 GLU 34 -4.448 -6.012 -15.125 234 HG3 GLU 34 HG1 GLU 34 -5.571 -4.774 -15.662 235 H ALA 35 HN ALA 35 -6.588 -2.992 -11.318 236 HA ALA 35 HA ALA 35 -4.747 -2.759 -9.392 237 HB1 ALA 35 HB1 ALA 35 -6.948 -1.427 -9.523 238 HB2 ALA 35 HB2 ALA 35 -6.608 -2.039 -7.932 239 HB3 ALA 35 HB3 ALA 35 -7.726 -2.917 -8.951 240 H GLU 36 HN GLU 36 -7.509 -4.891 -9.095 241 HA GLU 36 HA GLU 36 -6.116 -6.188 -6.837 242 HB2 GLU 36 HB2 GLU 36 -9.046 -6.170 -7.577 243 HB3 GLU 36 HB1 GLU 36 -8.364 -7.104 -6.245 244 HG2 GLU 36 HG2 GLU 36 -7.510 -5.039 -5.216 245 HG3 GLU 36 HG1 GLU 36 -8.170 -4.093 -6.548 246 H CYS 37 HN CYS 37 -5.182 -6.920 -9.392 247 HA CYS 37 HA CYS 37 -4.862 -8.706 -10.725 248 HB2 CYS 37 HB2 CYS 37 -4.840 -9.608 -8.003 249 HB3 CYS 37 HB1 CYS 37 -5.683 -10.835 -8.928 250 H PHE 38 HN PHE 38 -7.260 -7.495 -11.133 251 HA PHE 38 HA PHE 38 -9.155 -7.822 -12.272 252 HB2 PHE 38 HB2 PHE 38 -8.953 -10.795 -12.541 253 HB3 PHE 38 HB1 PHE 38 -9.173 -9.513 -13.761 254 HD1 PHE 38 HD1 PHE 38 -6.980 -12.016 -12.692 255 HD2 PHE 38 HD2 PHE 38 -6.973 -7.871 -13.828 256 HE1 PHE 38 HE1 PHE 38 -4.564 -12.168 -13.233 257 HE2 PHE 38 HE2 PHE 38 -4.564 -8.049 -14.366 258 HZ PHE 38 HZ PHE 38 -3.359 -10.173 -14.078 259 H ARG 39 HN ARG 39 -8.696 -8.689 -9.266 260 HA ARG 39 HA ARG 39 -11.304 -9.981 -8.802 261 HB2 ARG 39 HB2 ARG 39 -9.243 -9.195 -6.724 262 HB3 ARG 39 HB1 ARG 39 -10.534 -10.366 -6.558 263 HG2 ARG 39 HG2 ARG 39 -8.234 -10.690 -8.510 264 HG3 ARG 39 HG1 ARG 39 -8.239 -11.385 -6.895 265 HD2 ARG 39 HD2 ARG 39 -10.133 -11.998 -9.173 266 HD3 ARG 39 HD1 ARG 39 -9.011 -13.098 -8.376 267 HE ARG 39 HE ARG 39 -10.728 -12.130 -6.406 268 HH11 ARG 39 HH11 ARG 39 -12.540 -13.308 -5.770 269 HH12 ARG 39 HH12 ARG 39 -13.201 -14.511 -6.826 270 HH21 ARG 39 HH21 ARG 39 -10.858 -13.966 -9.329 271 HH22 ARG 39 HH22 ARG 39 -12.245 -14.886 -8.849 272 H ASN 40 HN ASN 40 -12.327 -8.084 -9.652 273 HA ASN 40 HA ASN 40 -13.107 -6.292 -7.485 274 HB2 ASN 40 HB2 ASN 40 -12.509 -4.218 -8.792 275 HB3 ASN 40 HB1 ASN 40 -11.136 -5.176 -8.227 276 HD21 ASN 40 HD21 ASN 40 -9.725 -4.437 -9.922 277 HD22 ASN 40 HD22 ASN 40 -9.938 -4.930 -11.531 278 H ASP 41 HN ASP 41 -14.844 -4.716 -8.257 279 HA ASP 41 HA ASP 41 -16.717 -6.250 -9.655 280 HB2 ASP 41 HB2 ASP 41 -16.825 -3.275 -9.004 281 HB3 ASP 41 HB1 ASP 41 -18.223 -4.296 -9.346 282 H VAL 42 HN VAL 42 -14.517 -3.702 -10.681 283 HA VAL 42 HA VAL 42 -15.750 -3.166 -13.183 284 HB VAL 42 HB VAL 42 -12.882 -2.966 -12.189 285 HG11 VAL 42 HG11 VAL 42 -14.035 -2.322 -14.903 286 HG12 VAL 42 HG12 VAL 42 -12.632 -3.323 -14.525 287 HG13 VAL 42 HG13 VAL 42 -12.556 -1.585 -14.304 288 HG21 VAL 42 HG21 VAL 42 -14.332 -1.296 -11.230 289 HG22 VAL 42 HG22 VAL 42 -15.047 -0.940 -12.805 290 HG23 VAL 42 HG23 VAL 42 -13.362 -0.503 -12.483 291 H TYR 43 HN TYR 43 -13.322 -5.542 -12.214 292 HA TYR 43 HA TYR 43 -12.870 -6.701 -14.709 293 HB2 TYR 43 HB2 TYR 43 -11.506 -7.401 -12.842 294 HB3 TYR 43 HB1 TYR 43 -12.926 -7.886 -11.918 295 HD1 TYR 43 HD1 TYR 43 -13.708 -10.101 -12.022 296 HD2 TYR 43 HD2 TYR 43 -11.082 -8.641 -15.094 297 HE1 TYR 43 HE1 TYR 43 -13.568 -12.382 -12.984 298 HE2 TYR 43 HE2 TYR 43 -10.944 -10.927 -16.047 299 HH TYR 43 HH TYR 43 -12.871 -13.598 -14.727 300 H THR 44 HN THR 44 -15.328 -7.503 -12.238 301 HA THR 44 HA THR 44 -16.556 -9.532 -13.696 302 HB THR 44 HB THR 44 -17.740 -7.648 -11.661 303 HG1 THR 44 HG1 THR 44 -17.283 -10.351 -11.249 304 HG21 THR 44 HG21 THR 44 -18.867 -10.076 -13.061 305 HG22 THR 44 HG22 THR 44 -19.599 -8.480 -12.894 306 HG23 THR 44 HG23 THR 44 -19.462 -9.538 -11.489 307 H ALA 45 HN ALA 45 -17.358 -6.096 -13.606 308 HA ALA 45 HA ALA 45 -19.516 -5.949 -15.357 309 HB1 ALA 45 HB1 ALA 45 -18.846 -3.518 -15.324 310 HB2 ALA 45 HB2 ALA 45 -17.241 -4.040 -14.910 311 HB3 ALA 45 HB3 ALA 45 -18.572 -4.276 -13.782 312 H CYS 46 HN CYS 46 -15.994 -5.656 -15.951 313 HA CYS 46 HA CYS 46 -16.266 -5.248 -18.749 314 HB2 CYS 46 HB2 CYS 46 -13.806 -6.203 -17.230 315 HB3 CYS 46 HB1 CYS 46 -13.862 -5.456 -18.841 316 H HIS 47 HN HIS 47 -15.574 -8.087 -16.750 317 HA HIS 47 HA HIS 47 -15.177 -9.863 -18.896 318 HB2 HIS 47 HB2 HIS 47 -14.500 -10.267 -16.499 319 HB3 HIS 47 HB1 HIS 47 -16.198 -10.534 -16.125 320 HD1 HIS 47 HD1 HIS 47 -17.342 -12.413 -17.889 321 HD2 HIS 47 HD2 HIS 47 -13.242 -12.627 -17.169 322 HE1 HIS 47 HE1 HIS 47 -16.620 -14.748 -18.553 323 H GLU 48 HN GLU 48 -18.051 -9.029 -16.998 324 HA GLU 48 HA GLU 48 -19.786 -10.903 -18.258 325 HB2 GLU 48 HB2 GLU 48 -20.457 -8.331 -16.807 326 HB3 GLU 48 HB1 GLU 48 -21.579 -9.609 -17.216 327 HG2 GLU 48 HG2 GLU 48 -19.122 -10.376 -15.664 328 HG3 GLU 48 HG1 GLU 48 -20.440 -9.576 -14.813 329 H ALA 49 HN ALA 49 -18.671 -7.718 -19.062 330 HA ALA 49 HA ALA 49 -20.722 -7.149 -20.941 331 HB1 ALA 49 HB1 ALA 49 -19.519 -5.334 -19.897 332 HB2 ALA 49 HB2 ALA 49 -19.223 -5.281 -21.634 333 HB3 ALA 49 HB3 ALA 49 -17.988 -5.919 -20.548 334 H GLN 50 HN GLN 50 -17.747 -8.966 -21.017 335 HA GLN 50 HA GLN 50 -17.654 -8.876 -23.949 336 HB2 GLN 50 HB2 GLN 50 -15.789 -10.063 -21.856 337 HB3 GLN 50 HB1 GLN 50 -15.546 -10.272 -23.593 338 HG2 GLN 50 HG2 GLN 50 -15.392 -7.841 -23.879 339 HG3 GLN 50 HG1 GLN 50 -15.699 -7.604 -22.158 340 HE21 GLN 50 HE21 GLN 50 -13.396 -6.483 -22.662 341 HE22 GLN 50 HE22 GLN 50 -12.056 -7.475 -22.345 342 H LYS 51 HN LYS 51 -18.342 -10.438 -25.205 343 HA LYS 51 HA LYS 51 -19.998 -12.505 -24.158 344 HB2 LYS 51 HB2 LYS 51 -20.323 -11.478 -26.399 345 HB3 LYS 51 HB1 LYS 51 -18.825 -12.237 -26.939 346 HG2 LYS 51 HG2 LYS 51 -19.749 -14.457 -26.492 347 HG3 LYS 51 HG1 LYS 51 -21.230 -13.737 -25.860 348 HD2 LYS 51 HD2 LYS 51 -21.666 -12.709 -28.067 349 HD3 LYS 51 HD1 LYS 51 -20.196 -13.453 -28.697 350 HE2 LYS 51 HE2 LYS 51 -21.102 -15.687 -28.227 351 HE3 LYS 51 HE1 LYS 51 -22.561 -14.966 -27.547 352 HZ1 LYS 51 HZ1 LYS 51 -23.087 -15.512 -29.749 353 HZ2 LYS 51 HZ2 LYS 51 -21.624 -14.897 -30.354 354 HZ3 LYS 51 HZ3 LYS 51 -22.818 -13.838 -29.772 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 7.256 -5.563 -2.209 2 HA SER 1 HA SER 1 5.981 -3.659 -2.801 3 HB2 SER 1 HB2 SER 1 8.082 -2.181 -2.822 4 HB3 SER 1 HB1 SER 1 8.332 -2.748 -4.470 5 HG SER 1 HG SER 1 6.176 -1.993 -4.908 6 H GLU 2 HN GLU 2 6.993 -6.363 -3.833 7 HA GLU 2 HA GLU 2 7.093 -6.503 -6.566 8 HB2 GLU 2 HB2 GLU 2 5.942 -8.358 -4.518 9 HB3 GLU 2 HB1 GLU 2 5.878 -8.760 -6.235 10 HG2 GLU 2 HG2 GLU 2 8.315 -8.528 -6.398 11 HG3 GLU 2 HG1 GLU 2 8.401 -8.071 -4.698 12 HA PRO 3 HA PRO 3 2.896 -4.871 -7.349 13 HB2 PRO 3 HB2 PRO 3 3.200 -4.271 -9.952 14 HB3 PRO 3 HB1 PRO 3 3.969 -3.321 -8.633 15 HG2 PRO 3 HG2 PRO 3 5.201 -5.340 -10.456 16 HG3 PRO 3 HG1 PRO 3 5.837 -3.788 -9.887 17 HD2 PRO 3 HD2 PRO 3 6.487 -6.244 -8.765 18 HD3 PRO 3 HD1 PRO 3 6.626 -4.685 -7.921 19 H ASP 4 HN ASP 4 3.654 -6.134 -10.384 20 HA ASP 4 HA ASP 4 1.518 -8.204 -10.352 21 HB2 ASP 4 HB2 ASP 4 2.957 -6.679 -12.497 22 HB3 ASP 4 HB1 ASP 4 2.291 -8.264 -12.894 23 H GLU 5 HN GLU 5 4.210 -8.493 -8.994 24 HA GLU 5 HA GLU 5 5.207 -10.842 -10.510 25 HB2 GLU 5 HB2 GLU 5 6.643 -8.803 -9.268 26 HB3 GLU 5 HB1 GLU 5 6.653 -10.069 -8.042 27 HG2 GLU 5 HG2 GLU 5 7.515 -10.403 -10.934 28 HG3 GLU 5 HG1 GLU 5 8.591 -10.318 -9.539 29 H ILE 6 HN ILE 6 4.175 -9.858 -7.226 30 HA ILE 6 HA ILE 6 4.149 -12.485 -6.165 31 HB ILE 6 HB ILE 6 2.842 -9.891 -5.371 32 HG12 ILE 6 HG12 ILE 6 5.335 -10.599 -4.954 33 HG13 ILE 6 HG11 ILE 6 4.424 -9.844 -3.652 34 HG21 ILE 6 HG21 ILE 6 2.171 -11.169 -3.215 35 HG22 ILE 6 HG22 ILE 6 2.283 -12.620 -4.212 36 HG23 ILE 6 HG23 ILE 6 1.142 -11.344 -4.637 37 HD11 ILE 6 HD11 ILE 6 4.179 -11.860 -2.481 38 HD12 ILE 6 HD12 ILE 6 5.812 -11.985 -3.131 39 HD13 ILE 6 HD13 ILE 6 4.488 -12.846 -3.910 40 H CYS 7 HN CYS 7 1.687 -10.548 -7.750 41 HA CYS 7 HA CYS 7 -0.452 -12.312 -7.252 42 HB2 CYS 7 HB2 CYS 7 -0.205 -9.845 -8.569 43 HB3 CYS 7 HB1 CYS 7 -0.744 -10.957 -9.821 44 H ARG 8 HN ARG 8 1.837 -12.190 -9.860 45 HA ARG 8 HA ARG 8 0.675 -14.237 -11.438 46 HB2 ARG 8 HB2 ARG 8 2.331 -12.611 -12.298 47 HB3 ARG 8 HB1 ARG 8 3.581 -13.407 -11.340 48 HG2 ARG 8 HG2 ARG 8 3.150 -15.525 -12.535 49 HG3 ARG 8 HG1 ARG 8 1.895 -14.731 -13.487 50 HD2 ARG 8 HD2 ARG 8 3.943 -14.785 -14.787 51 HD3 ARG 8 HD1 ARG 8 3.611 -13.119 -14.317 52 HE ARG 8 HE ARG 8 5.272 -14.341 -12.373 53 HH11 ARG 8 HH11 ARG 8 7.478 -13.820 -12.374 54 HH12 ARG 8 HH12 ARG 8 8.201 -13.140 -13.793 55 HH21 ARG 8 HH21 ARG 8 5.259 -13.177 -15.629 56 HH22 ARG 8 HH22 ARG 8 6.944 -12.776 -15.638 57 H ALA 9 HN ALA 9 3.129 -14.278 -8.923 58 HA ALA 9 HA ALA 9 3.934 -16.920 -9.171 59 HB1 ALA 9 HB1 ALA 9 5.155 -15.240 -7.815 60 HB2 ALA 9 HB2 ALA 9 4.768 -16.560 -6.774 61 HB3 ALA 9 HB3 ALA 9 3.793 -15.229 -6.657 62 H ARG 10 HN ARG 10 0.908 -15.696 -8.194 63 HA ARG 10 HA ARG 10 0.261 -18.048 -6.573 64 HB2 ARG 10 HB2 ARG 10 -0.549 -15.236 -6.638 65 HB3 ARG 10 HB1 ARG 10 -1.923 -16.338 -6.435 66 HG2 ARG 10 HG2 ARG 10 -0.727 -17.403 -4.530 67 HG3 ARG 10 HG1 ARG 10 0.593 -16.252 -4.728 68 HD2 ARG 10 HD2 ARG 10 -0.960 -14.391 -4.300 69 HD3 ARG 10 HD1 ARG 10 -2.287 -15.535 -4.111 70 HE ARG 10 HE ARG 10 -0.134 -15.033 -2.206 71 HH11 ARG 10 HH11 ARG 10 -0.399 -16.046 -0.191 72 HH12 ARG 10 HH12 ARG 10 -1.618 -17.259 0.011 73 HH21 ARG 10 HH21 ARG 10 -2.724 -17.076 -3.269 74 HH22 ARG 10 HH22 ARG 10 -2.934 -17.841 -1.730 75 H MET 11 HN MET 11 -0.146 -16.760 -9.743 76 HA MET 11 HA MET 11 -2.441 -18.529 -10.225 77 HB2 MET 11 HB2 MET 11 -1.723 -15.829 -11.339 78 HB3 MET 11 HB1 MET 11 -2.863 -16.847 -12.234 79 HG2 MET 11 HG2 MET 11 -4.266 -17.021 -10.233 80 HG3 MET 11 HG1 MET 11 -3.202 -15.902 -9.383 81 HE1 MET 11 HE1 MET 11 -2.486 -13.812 -10.266 82 HE2 MET 11 HE2 MET 11 -3.895 -13.096 -9.489 83 HE3 MET 11 HE3 MET 11 -3.485 -12.650 -11.139 84 H THR 12 HN THR 12 -2.526 -19.552 -12.254 85 HA THR 12 HA THR 12 0.104 -20.310 -13.237 86 HB THR 12 HB THR 12 -1.322 -21.719 -14.833 87 HG1 THR 12 HG1 THR 12 -3.508 -21.928 -13.832 88 HG21 THR 12 HG21 THR 12 -1.517 -21.974 -11.824 89 HG22 THR 12 HG22 THR 12 -0.329 -22.726 -12.889 90 HG23 THR 12 HG23 THR 12 -2.013 -23.249 -12.938 91 H HIS 13 HN HIS 13 0.926 -19.882 -15.296 92 HA HIS 13 HA HIS 13 0.569 -17.399 -16.434 93 HB2 HIS 13 HB2 HIS 13 2.402 -18.931 -17.094 94 HB3 HIS 13 HB1 HIS 13 1.233 -19.960 -17.923 95 HD1 HIS 13 HD1 HIS 13 2.540 -16.381 -18.045 96 HD2 HIS 13 HD2 HIS 13 0.691 -19.172 -20.531 97 HE1 HIS 13 HE1 HIS 13 2.501 -15.362 -20.365 98 H LYS 14 HN LYS 14 -1.293 -20.339 -17.250 99 HA LYS 14 HA LYS 14 -2.723 -19.136 -19.302 100 HB2 LYS 14 HB2 LYS 14 -2.751 -21.472 -19.136 101 HB3 LYS 14 HB1 LYS 14 -3.330 -21.416 -17.440 102 HG2 LYS 14 HG2 LYS 14 -5.503 -20.596 -18.194 103 HG3 LYS 14 HG1 LYS 14 -4.927 -20.483 -19.857 104 HD2 LYS 14 HD2 LYS 14 -4.590 -22.949 -19.868 105 HD3 LYS 14 HD1 LYS 14 -5.247 -23.023 -18.231 106 HE2 LYS 14 HE2 LYS 14 -6.741 -21.838 -20.584 107 HE3 LYS 14 HE1 LYS 14 -6.945 -23.503 -20.040 108 HZ1 LYS 14 HZ1 LYS 14 -8.355 -21.410 -19.118 109 HZ2 LYS 14 HZ2 LYS 14 -7.130 -21.521 -17.947 110 HZ3 LYS 14 HZ3 LYS 14 -8.127 -22.859 -18.266 111 H GLU 15 HN GLU 15 -3.497 -19.319 -15.817 112 HA GLU 15 HA GLU 15 -6.030 -18.088 -16.086 113 HB2 GLU 15 HB2 GLU 15 -5.302 -19.492 -14.176 114 HB3 GLU 15 HB1 GLU 15 -4.207 -18.201 -13.682 115 HG2 GLU 15 HG2 GLU 15 -6.093 -16.659 -13.443 116 HG3 GLU 15 HG1 GLU 15 -7.204 -17.916 -13.988 117 H PHE 16 HN PHE 16 -2.915 -16.872 -14.904 118 HA PHE 16 HA PHE 16 -3.650 -14.193 -14.521 119 HB2 PHE 16 HB2 PHE 16 -1.495 -15.092 -13.740 120 HB3 PHE 16 HB1 PHE 16 -0.967 -15.274 -15.421 121 HD1 PHE 16 HD1 PHE 16 -1.879 -12.838 -12.792 122 HD2 PHE 16 HD2 PHE 16 -0.282 -13.367 -16.741 123 HE1 PHE 16 HE1 PHE 16 -1.146 -10.470 -12.808 124 HE2 PHE 16 HE2 PHE 16 0.456 -10.997 -16.758 125 HZ PHE 16 HZ PHE 16 0.024 -9.550 -14.790 126 H ASN 17 HN ASN 17 -2.357 -15.755 -17.498 127 HA ASN 17 HA ASN 17 -2.395 -13.381 -19.077 128 HB2 ASN 17 HB2 ASN 17 -1.108 -15.182 -19.936 129 HB3 ASN 17 HB1 ASN 17 -2.412 -16.330 -19.766 130 HD21 ASN 17 HD21 ASN 17 -0.999 -13.938 -21.854 131 HD22 ASN 17 HD22 ASN 17 -2.126 -14.077 -23.116 132 H TYR 18 HN TYR 18 -4.866 -15.858 -18.517 133 HA TYR 18 HA TYR 18 -6.698 -14.991 -20.441 134 HB2 TYR 18 HB2 TYR 18 -6.972 -17.100 -19.415 135 HB3 TYR 18 HB1 TYR 18 -7.103 -16.379 -17.797 136 HD1 TYR 18 HD1 TYR 18 -9.098 -14.999 -17.230 137 HD2 TYR 18 HD2 TYR 18 -8.832 -17.184 -20.912 138 HE1 TYR 18 HE1 TYR 18 -11.540 -14.733 -17.557 139 HE2 TYR 18 HE2 TYR 18 -11.276 -16.921 -21.245 140 HH TYR 18 HH TYR 18 -13.196 -14.858 -19.146 141 H LYS 19 HN LYS 19 -6.564 -14.236 -17.025 142 HA LYS 19 HA LYS 19 -8.745 -12.441 -16.961 143 HB2 LYS 19 HB2 LYS 19 -6.327 -12.460 -15.148 144 HB3 LYS 19 HB1 LYS 19 -7.925 -11.799 -14.810 145 HG2 LYS 19 HG2 LYS 19 -7.592 -14.720 -15.462 146 HG3 LYS 19 HG1 LYS 19 -7.320 -14.130 -13.827 147 HD2 LYS 19 HD2 LYS 19 -9.586 -13.179 -13.779 148 HD3 LYS 19 HD1 LYS 19 -9.874 -13.756 -15.420 149 HE2 LYS 19 HE2 LYS 19 -9.520 -16.081 -14.669 150 HE3 LYS 19 HE1 LYS 19 -9.229 -15.504 -13.026 151 HZ1 LYS 19 HZ1 LYS 19 -11.736 -15.109 -14.573 152 HZ2 LYS 19 HZ2 LYS 19 -11.454 -14.588 -12.980 153 HZ3 LYS 19 HZ3 LYS 19 -11.517 -16.249 -13.336 154 H SER 20 HN SER 20 -5.285 -11.980 -17.485 155 HA SER 20 HA SER 20 -5.304 -9.168 -17.353 156 HB2 SER 20 HB2 SER 20 -3.171 -9.303 -18.631 157 HB3 SER 20 HB1 SER 20 -3.190 -10.458 -17.300 158 HG SER 20 HG SER 20 -2.855 -10.943 -19.873 159 H ASN 21 HN ASN 21 -5.842 -11.321 -20.032 160 HA ASN 21 HA ASN 21 -6.181 -9.332 -22.048 161 HB2 ASN 21 HB2 ASN 21 -6.985 -12.220 -21.761 162 HB3 ASN 21 HB1 ASN 21 -7.665 -11.239 -23.062 163 HD21 ASN 21 HD21 ASN 21 -5.508 -13.512 -22.941 164 HD22 ASN 21 HD22 ASN 21 -4.238 -12.871 -23.867 165 H VAL 22 HN VAL 22 -8.401 -10.720 -19.684 166 HA VAL 22 HA VAL 22 -10.792 -9.626 -20.766 167 HB VAL 22 HB VAL 22 -10.066 -10.355 -17.934 168 HG11 VAL 22 HG11 VAL 22 -12.629 -10.502 -17.771 169 HG12 VAL 22 HG12 VAL 22 -12.666 -9.511 -19.227 170 HG13 VAL 22 HG13 VAL 22 -11.931 -8.885 -17.751 171 HG21 VAL 22 HG21 VAL 22 -11.779 -11.826 -19.944 172 HG22 VAL 22 HG22 VAL 22 -11.123 -12.442 -18.427 173 HG23 VAL 22 HG23 VAL 22 -10.050 -12.117 -19.786 174 H CYS 23 HN CYS 23 -8.568 -8.438 -18.234 175 HA CYS 23 HA CYS 23 -9.940 -5.969 -17.804 176 HB2 CYS 23 HB2 CYS 23 -7.159 -6.950 -17.165 177 HB3 CYS 23 HB1 CYS 23 -7.656 -5.266 -16.865 178 H ASN 24 HN ASN 24 -7.273 -6.880 -19.991 179 HA ASN 24 HA ASN 24 -6.764 -4.217 -20.811 180 HB2 ASN 24 HB2 ASN 24 -6.293 -6.880 -22.170 181 HB3 ASN 24 HB1 ASN 24 -5.724 -5.336 -22.803 182 HD21 ASN 24 HD21 ASN 24 -3.928 -7.433 -22.010 183 HD22 ASN 24 HD22 ASN 24 -3.050 -6.889 -20.663 184 H GLY 25 HN GLY 25 -9.245 -6.552 -21.759 185 HA2 GLY 25 HA2 GLY 25 -9.925 -4.883 -24.042 186 HA3 GLY 25 HA1 GLY 25 -10.777 -6.359 -23.594 187 H CYS 26 HN CYS 26 -10.276 -4.348 -20.905 188 HA CYS 26 HA CYS 26 -13.091 -3.762 -20.876 189 HB2 CYS 26 HB2 CYS 26 -11.828 -4.447 -18.786 190 HB3 CYS 26 HB1 CYS 26 -11.054 -2.858 -18.840 191 H GLY 27 HN GLY 27 -10.280 -1.792 -21.837 192 HA2 GLY 27 HA2 GLY 27 -10.955 0.007 -23.130 193 HA3 GLY 27 HA1 GLY 27 -12.134 0.514 -21.949 194 H ASP 28 HN ASP 28 -11.506 2.194 -20.712 195 HA ASP 28 HA ASP 28 -8.631 2.746 -20.408 196 HB2 ASP 28 HB2 ASP 28 -11.129 4.383 -19.951 197 HB3 ASP 28 HB1 ASP 28 -9.514 4.954 -19.516 198 H GLN 29 HN GLN 29 -10.592 0.809 -18.905 199 HA GLN 29 HA GLN 29 -9.997 1.698 -16.121 200 HB2 GLN 29 HB2 GLN 29 -11.741 -0.622 -16.947 201 HB3 GLN 29 HB1 GLN 29 -11.601 0.147 -15.366 202 HG2 GLN 29 HG2 GLN 29 -13.599 1.017 -16.323 203 HG3 GLN 29 HG1 GLN 29 -12.388 2.293 -16.463 204 HE21 GLN 29 HE21 GLN 29 -13.288 3.265 -18.387 205 HE22 GLN 29 HE22 GLN 29 -13.298 2.461 -19.882 206 H VAL 30 HN VAL 30 -8.370 0.210 -18.422 207 HA VAL 30 HA VAL 30 -7.673 -2.278 -17.684 208 HB VAL 30 HB VAL 30 -5.520 -0.246 -18.263 209 HG11 VAL 30 HG11 VAL 30 -4.682 -2.455 -17.845 210 HG12 VAL 30 HG12 VAL 30 -4.613 -2.187 -19.586 211 HG13 VAL 30 HG13 VAL 30 -5.897 -3.179 -18.897 212 HG21 VAL 30 HG21 VAL 30 -7.181 0.308 -19.853 213 HG22 VAL 30 HG22 VAL 30 -7.623 -1.382 -20.099 214 HG23 VAL 30 HG23 VAL 30 -6.079 -0.776 -20.699 215 H ALA 31 HN ALA 31 -6.276 0.688 -16.186 216 HA ALA 31 HA ALA 31 -4.688 -0.855 -14.437 217 HB1 ALA 31 HB1 ALA 31 -4.345 1.270 -13.185 218 HB2 ALA 31 HB2 ALA 31 -5.353 2.097 -14.373 219 HB3 ALA 31 HB3 ALA 31 -3.868 1.288 -14.881 220 H ALA 32 HN ALA 32 -7.905 0.644 -14.029 221 HA ALA 32 HA ALA 32 -8.185 0.123 -11.282 222 HB1 ALA 32 HB1 ALA 32 -10.696 0.108 -11.996 223 HB2 ALA 32 HB2 ALA 32 -10.076 0.476 -13.607 224 HB3 ALA 32 HB3 ALA 32 -9.816 1.612 -12.300 225 H CYS 33 HN CYS 33 -8.916 -1.659 -14.171 226 HA CYS 33 HA CYS 33 -10.237 -3.836 -12.950 227 HB2 CYS 33 HB2 CYS 33 -10.456 -3.253 -15.364 228 HB3 CYS 33 HB1 CYS 33 -8.805 -3.813 -15.601 229 H GLU 34 HN GLU 34 -6.874 -3.133 -13.747 230 HA GLU 34 HA GLU 34 -5.930 -5.738 -13.066 231 HB2 GLU 34 HB2 GLU 34 -4.662 -3.133 -13.864 232 HB3 GLU 34 HB1 GLU 34 -3.658 -4.417 -13.247 233 HG2 GLU 34 HG2 GLU 34 -4.531 -5.919 -15.013 234 HG3 GLU 34 HG1 GLU 34 -5.572 -4.634 -15.600 235 H ALA 35 HN ALA 35 -6.678 -2.883 -11.240 236 HA ALA 35 HA ALA 35 -4.848 -2.614 -9.285 237 HB1 ALA 35 HB1 ALA 35 -7.820 -2.810 -8.867 238 HB2 ALA 35 HB2 ALA 35 -7.062 -1.320 -9.480 239 HB3 ALA 35 HB3 ALA 35 -6.723 -1.882 -7.871 240 H GLU 36 HN GLU 36 -7.583 -4.778 -9.073 241 HA GLU 36 HA GLU 36 -6.237 -6.047 -6.763 242 HB2 GLU 36 HB2 GLU 36 -9.151 -6.098 -7.548 243 HB3 GLU 36 HB1 GLU 36 -8.459 -6.978 -6.184 244 HG2 GLU 36 HG2 GLU 36 -7.650 -4.845 -5.228 245 HG3 GLU 36 HG1 GLU 36 -8.384 -3.973 -6.571 246 H CYS 37 HN CYS 37 -5.269 -6.773 -9.315 247 HA CYS 37 HA CYS 37 -4.942 -8.531 -10.656 248 HB2 CYS 37 HB2 CYS 37 -4.763 -9.418 -7.977 249 HB3 CYS 37 HB1 CYS 37 -5.677 -10.669 -8.809 250 H PHE 38 HN PHE 38 -7.301 -7.376 -11.085 251 HA PHE 38 HA PHE 38 -9.176 -7.700 -12.239 252 HB2 PHE 38 HB2 PHE 38 -8.978 -10.664 -12.532 253 HB3 PHE 38 HB1 PHE 38 -9.135 -9.367 -13.745 254 HD1 PHE 38 HD1 PHE 38 -6.920 -7.765 -13.743 255 HD2 PHE 38 HD2 PHE 38 -7.001 -11.910 -12.614 256 HE1 PHE 38 HE1 PHE 38 -4.496 -7.958 -14.195 257 HE2 PHE 38 HE2 PHE 38 -4.572 -12.080 -13.090 258 HZ PHE 38 HZ PHE 38 -3.325 -10.090 -13.874 259 H ARG 39 HN ARG 39 -8.774 -8.564 -9.219 260 HA ARG 39 HA ARG 39 -11.384 -9.860 -8.796 261 HB2 ARG 39 HB2 ARG 39 -9.208 -10.590 -7.600 262 HB3 ARG 39 HB1 ARG 39 -9.346 -9.085 -6.694 263 HG2 ARG 39 HG2 ARG 39 -11.579 -9.739 -5.918 264 HG3 ARG 39 HG1 ARG 39 -11.452 -11.245 -6.827 265 HD2 ARG 39 HD2 ARG 39 -9.378 -11.784 -5.510 266 HD3 ARG 39 HD1 ARG 39 -9.705 -10.366 -4.515 267 HE ARG 39 HE ARG 39 -12.027 -11.946 -4.585 268 HH11 ARG 39 HH11 ARG 39 -12.498 -13.302 -2.842 269 HH12 ARG 39 HH12 ARG 39 -11.236 -13.785 -1.759 270 HH21 ARG 39 HH21 ARG 39 -8.767 -12.016 -3.435 271 HH22 ARG 39 HH22 ARG 39 -9.119 -13.054 -2.095 272 H ASN 40 HN ASN 40 -12.397 -7.987 -9.650 273 HA ASN 40 HA ASN 40 -13.213 -6.199 -7.500 274 HB2 ASN 40 HB2 ASN 40 -12.599 -4.135 -8.785 275 HB3 ASN 40 HB1 ASN 40 -11.226 -5.088 -8.223 276 HD21 ASN 40 HD21 ASN 40 -9.816 -4.326 -9.891 277 HD22 ASN 40 HD22 ASN 40 -10.002 -4.811 -11.505 278 H ASP 41 HN ASP 41 -14.955 -4.642 -8.301 279 HA ASP 41 HA ASP 41 -16.793 -6.201 -9.719 280 HB2 ASP 41 HB2 ASP 41 -16.948 -3.224 -9.095 281 HB3 ASP 41 HB1 ASP 41 -18.329 -4.278 -9.433 282 H VAL 42 HN VAL 42 -14.583 -3.637 -10.728 283 HA VAL 42 HA VAL 42 -15.807 -3.126 -13.240 284 HB VAL 42 HB VAL 42 -12.942 -2.898 -12.244 285 HG11 VAL 42 HG11 VAL 42 -12.683 -3.273 -14.575 286 HG12 VAL 42 HG12 VAL 42 -12.622 -1.532 -14.367 287 HG13 VAL 42 HG13 VAL 42 -14.092 -2.285 -14.964 288 HG21 VAL 42 HG21 VAL 42 -14.359 -1.213 -11.295 289 HG22 VAL 42 HG22 VAL 42 -15.139 -0.907 -12.849 290 HG23 VAL 42 HG23 VAL 42 -13.452 -0.432 -12.600 291 H TYR 43 HN TYR 43 -13.380 -5.476 -12.237 292 HA TYR 43 HA TYR 43 -12.901 -6.654 -14.711 293 HB2 TYR 43 HB2 TYR 43 -11.558 -7.346 -12.829 294 HB3 TYR 43 HB1 TYR 43 -12.984 -7.808 -11.906 295 HD1 TYR 43 HD1 TYR 43 -11.010 -8.664 -14.966 296 HD2 TYR 43 HD2 TYR 43 -13.882 -9.995 -12.060 297 HE1 TYR 43 HE1 TYR 43 -10.873 -10.969 -15.871 298 HE2 TYR 43 HE2 TYR 43 -13.741 -12.295 -12.974 299 HH TYR 43 HH TYR 43 -12.930 -13.155 -15.646 300 H THR 44 HN THR 44 -15.391 -7.427 -12.264 301 HA THR 44 HA THR 44 -16.575 -9.476 -13.733 302 HB THR 44 HB THR 44 -17.812 -7.587 -11.727 303 HG1 THR 44 HG1 THR 44 -17.202 -9.065 -10.329 304 HG21 THR 44 HG21 THR 44 -18.901 -10.033 -13.132 305 HG22 THR 44 HG22 THR 44 -19.640 -8.437 -13.006 306 HG23 THR 44 HG23 THR 44 -19.537 -9.476 -11.584 307 H ALA 45 HN ALA 45 -17.427 -6.055 -13.711 308 HA ALA 45 HA ALA 45 -19.554 -5.898 -15.505 309 HB1 ALA 45 HB1 ALA 45 -18.523 -4.288 -13.883 310 HB2 ALA 45 HB2 ALA 45 -18.856 -3.500 -15.415 311 HB3 ALA 45 HB3 ALA 45 -17.230 -4.046 -15.036 312 H CYS 46 HN CYS 46 -16.021 -5.645 -16.026 313 HA CYS 46 HA CYS 46 -16.222 -5.277 -18.827 314 HB2 CYS 46 HB2 CYS 46 -13.775 -6.195 -17.256 315 HB3 CYS 46 HB1 CYS 46 -13.819 -5.441 -18.864 316 H HIS 47 HN HIS 47 -15.569 -8.095 -16.782 317 HA HIS 47 HA HIS 47 -15.149 -9.895 -18.906 318 HB2 HIS 47 HB2 HIS 47 -14.503 -10.243 -16.483 319 HB3 HIS 47 HB1 HIS 47 -16.202 -10.552 -16.145 320 HD1 HIS 47 HD1 HIS 47 -16.476 -13.028 -15.931 321 HD2 HIS 47 HD2 HIS 47 -13.936 -12.029 -19.079 322 HE1 HIS 47 HE1 HIS 47 -15.874 -15.202 -17.084 323 H GLU 48 HN GLU 48 -18.047 -9.053 -17.042 324 HA GLU 48 HA GLU 48 -19.761 -10.940 -18.307 325 HB2 GLU 48 HB2 GLU 48 -20.453 -8.372 -16.864 326 HB3 GLU 48 HB1 GLU 48 -21.568 -9.646 -17.288 327 HG2 GLU 48 HG2 GLU 48 -19.121 -10.339 -15.674 328 HG3 GLU 48 HG1 GLU 48 -20.537 -9.666 -14.877 329 H ALA 49 HN ALA 49 -18.653 -7.752 -19.109 330 HA ALA 49 HA ALA 49 -20.680 -7.203 -21.022 331 HB1 ALA 49 HB1 ALA 49 -19.554 -5.353 -20.004 332 HB2 ALA 49 HB2 ALA 49 -19.121 -5.346 -21.714 333 HB3 ALA 49 HB3 ALA 49 -17.977 -5.953 -20.517 334 H GLN 50 HN GLN 50 -17.683 -8.998 -21.053 335 HA GLN 50 HA GLN 50 -17.558 -8.902 -23.985 336 HB2 GLN 50 HB2 GLN 50 -15.701 -10.088 -21.884 337 HB3 GLN 50 HB1 GLN 50 -15.432 -10.253 -23.618 338 HG2 GLN 50 HG2 GLN 50 -15.298 -7.821 -23.857 339 HG3 GLN 50 HG1 GLN 50 -15.665 -7.612 -22.145 340 HE21 GLN 50 HE21 GLN 50 -13.381 -6.440 -22.511 341 HE22 GLN 50 HE22 GLN 50 -12.029 -7.412 -22.181 342 H LYS 51 HN LYS 51 -18.122 -10.509 -25.257 343 HA LYS 51 HA LYS 51 -19.916 -12.490 -24.374 344 HB2 LYS 51 HB2 LYS 51 -19.782 -11.648 -26.716 345 HB3 LYS 51 HB1 LYS 51 -18.242 -12.490 -26.901 346 HG2 LYS 51 HG2 LYS 51 -19.329 -14.639 -26.450 347 HG3 LYS 51 HG1 LYS 51 -20.871 -13.824 -26.186 348 HD2 LYS 51 HD2 LYS 51 -20.823 -12.995 -28.518 349 HD3 LYS 51 HD1 LYS 51 -19.292 -13.833 -28.777 350 HE2 LYS 51 HE2 LYS 51 -20.378 -15.990 -28.286 351 HE3 LYS 51 HE1 LYS 51 -21.908 -15.160 -28.007 352 HZ1 LYS 51 HZ1 LYS 51 -20.569 -14.620 -30.535 353 HZ2 LYS 51 HZ2 LYS 51 -22.225 -14.797 -30.196 354 HZ3 LYS 51 HZ3 LYS 51 -21.235 -16.169 -30.351 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 9.583 -4.978 -11.824 2 HA SER 1 HA SER 1 9.243 -5.712 -9.499 3 HB2 SER 1 HB2 SER 1 10.894 -3.940 -10.139 4 HB3 SER 1 HB1 SER 1 9.647 -2.729 -9.860 5 HG SER 1 HG SER 1 10.875 -2.968 -7.997 6 H GLU 2 HN GLU 2 6.585 -4.668 -10.822 7 HA GLU 2 HA GLU 2 5.417 -3.251 -8.548 8 HB2 GLU 2 HB2 GLU 2 4.459 -3.994 -11.309 9 HB3 GLU 2 HB1 GLU 2 3.323 -3.429 -10.082 10 HG2 GLU 2 HG2 GLU 2 4.648 -1.389 -9.775 11 HG3 GLU 2 HG1 GLU 2 5.803 -1.945 -10.982 12 HA PRO 3 HA PRO 3 3.413 -6.661 -6.398 13 HB2 PRO 3 HB2 PRO 3 0.941 -5.052 -7.127 14 HB3 PRO 3 HB1 PRO 3 1.374 -6.024 -5.663 15 HG2 PRO 3 HG2 PRO 3 1.697 -3.408 -5.694 16 HG3 PRO 3 HG1 PRO 3 3.013 -4.429 -5.068 17 HD2 PRO 3 HD2 PRO 3 2.782 -3.079 -7.754 18 HD3 PRO 3 HD1 PRO 3 4.202 -3.265 -6.694 19 H ASP 4 HN ASP 4 3.286 -6.268 -9.723 20 HA ASP 4 HA ASP 4 1.323 -8.362 -10.206 21 HB2 ASP 4 HB2 ASP 4 2.668 -6.176 -11.762 22 HB3 ASP 4 HB1 ASP 4 2.418 -7.673 -12.666 23 H GLU 5 HN GLU 5 4.153 -8.508 -9.015 24 HA GLU 5 HA GLU 5 5.064 -10.812 -10.681 25 HB2 GLU 5 HB2 GLU 5 6.528 -9.393 -8.433 26 HB3 GLU 5 HB1 GLU 5 7.166 -10.652 -9.491 27 HG2 GLU 5 HG2 GLU 5 6.827 -9.190 -11.450 28 HG3 GLU 5 HG1 GLU 5 6.234 -7.916 -10.386 29 H ILE 6 HN ILE 6 4.230 -9.794 -7.363 30 HA ILE 6 HA ILE 6 4.382 -12.457 -6.327 31 HB ILE 6 HB ILE 6 2.835 -10.108 -5.206 32 HG12 ILE 6 HG12 ILE 6 5.150 -9.453 -5.602 33 HG13 ILE 6 HG11 ILE 6 4.919 -9.709 -3.876 34 HG21 ILE 6 HG21 ILE 6 3.256 -11.285 -3.045 35 HG22 ILE 6 HG22 ILE 6 3.966 -12.625 -3.943 36 HG23 ILE 6 HG23 ILE 6 2.254 -12.239 -4.142 37 HD11 ILE 6 HD11 ILE 6 6.412 -11.415 -5.859 38 HD12 ILE 6 HD12 ILE 6 5.763 -12.147 -4.393 39 HD13 ILE 6 HD13 ILE 6 6.934 -10.838 -4.279 40 H CYS 7 HN CYS 7 1.843 -10.457 -7.621 41 HA CYS 7 HA CYS 7 -0.322 -12.148 -6.976 42 HB2 CYS 7 HB2 CYS 7 -0.115 -9.704 -8.248 43 HB3 CYS 7 HB1 CYS 7 -0.602 -10.756 -9.572 44 H ARG 8 HN ARG 8 1.777 -12.115 -9.739 45 HA ARG 8 HA ARG 8 0.477 -14.159 -11.226 46 HB2 ARG 8 HB2 ARG 8 2.098 -12.591 -12.225 47 HB3 ARG 8 HB1 ARG 8 3.394 -13.390 -11.333 48 HG2 ARG 8 HG2 ARG 8 2.920 -15.506 -12.457 49 HG3 ARG 8 HG1 ARG 8 1.531 -14.788 -13.276 50 HD2 ARG 8 HD2 ARG 8 3.408 -14.808 -14.813 51 HD3 ARG 8 HD1 ARG 8 3.077 -13.142 -14.345 52 HE ARG 8 HE ARG 8 5.022 -14.318 -12.619 53 HH11 ARG 8 HH11 ARG 8 7.176 -13.650 -12.879 54 HH12 ARG 8 HH12 ARG 8 7.660 -12.855 -14.339 55 HH21 ARG 8 HH21 ARG 8 4.508 -12.999 -15.777 56 HH22 ARG 8 HH22 ARG 8 6.150 -12.486 -15.980 57 H ALA 9 HN ALA 9 3.101 -14.249 -8.884 58 HA ALA 9 HA ALA 9 3.817 -16.917 -9.173 59 HB1 ALA 9 HB1 ALA 9 3.841 -15.346 -6.587 60 HB2 ALA 9 HB2 ALA 9 5.096 -15.184 -7.886 61 HB3 ALA 9 HB3 ALA 9 4.941 -16.585 -6.974 62 H ARG 10 HN ARG 10 0.868 -15.635 -8.033 63 HA ARG 10 HA ARG 10 0.328 -17.969 -6.332 64 HB2 ARG 10 HB2 ARG 10 -0.033 -15.688 -5.417 65 HB3 ARG 10 HB1 ARG 10 -1.229 -15.387 -6.660 66 HG2 ARG 10 HG2 ARG 10 -2.637 -17.172 -5.841 67 HG3 ARG 10 HG1 ARG 10 -1.387 -17.704 -4.715 68 HD2 ARG 10 HD2 ARG 10 -2.954 -16.406 -3.443 69 HD3 ARG 10 HD1 ARG 10 -1.515 -15.404 -3.649 70 HE ARG 10 HE ARG 10 -3.362 -14.890 -5.747 71 HH11 ARG 10 HH11 ARG 10 -4.580 -12.974 -5.634 72 HH12 ARG 10 HH12 ARG 10 -4.748 -12.149 -4.122 73 HH21 ARG 10 HH21 ARG 10 -2.843 -14.444 -2.354 74 HH22 ARG 10 HH22 ARG 10 -3.764 -12.980 -2.264 75 H MET 11 HN MET 11 -0.213 -16.749 -9.461 76 HA MET 11 HA MET 11 -2.491 -18.600 -9.823 77 HB2 MET 11 HB2 MET 11 -3.235 -17.067 -11.700 78 HB3 MET 11 HB1 MET 11 -3.408 -16.458 -10.054 79 HG2 MET 11 HG2 MET 11 -1.379 -15.179 -10.266 80 HG3 MET 11 HG1 MET 11 -1.043 -15.871 -11.844 81 HE1 MET 11 HE1 MET 11 -4.767 -14.642 -10.591 82 HE2 MET 11 HE2 MET 11 -4.289 -12.950 -10.583 83 HE3 MET 11 HE3 MET 11 -3.390 -14.114 -9.614 84 H THR 12 HN THR 12 -2.670 -19.526 -11.965 85 HA THR 12 HA THR 12 -0.100 -20.366 -13.002 86 HB THR 12 HB THR 12 -1.547 -21.531 -14.737 87 HG1 THR 12 HG1 THR 12 -3.522 -20.870 -14.829 88 HG21 THR 12 HG21 THR 12 -1.951 -21.931 -11.771 89 HG22 THR 12 HG22 THR 12 -0.831 -22.780 -12.836 90 HG23 THR 12 HG23 THR 12 -2.566 -23.066 -12.973 91 H HIS 13 HN HIS 13 0.543 -20.103 -15.271 92 HA HIS 13 HA HIS 13 0.450 -17.395 -16.152 93 HB2 HIS 13 HB2 HIS 13 2.296 -19.006 -16.688 94 HB3 HIS 13 HB1 HIS 13 1.187 -19.852 -17.768 95 HD1 HIS 13 HD1 HIS 13 0.405 -18.573 -19.921 96 HD2 HIS 13 HD2 HIS 13 3.286 -16.554 -17.684 97 HE1 HIS 13 HE1 HIS 13 1.288 -16.718 -21.400 98 H LYS 14 HN LYS 14 -1.335 -20.294 -17.239 99 HA LYS 14 HA LYS 14 -2.610 -19.038 -19.378 100 HB2 LYS 14 HB2 LYS 14 -2.665 -21.385 -19.192 101 HB3 LYS 14 HB1 LYS 14 -3.418 -21.303 -17.562 102 HG2 LYS 14 HG2 LYS 14 -5.075 -21.938 -19.330 103 HG3 LYS 14 HG1 LYS 14 -5.479 -20.394 -18.589 104 HD2 LYS 14 HD2 LYS 14 -4.661 -19.162 -20.446 105 HD3 LYS 14 HD1 LYS 14 -3.802 -20.559 -21.098 106 HE2 LYS 14 HE2 LYS 14 -5.902 -21.663 -21.616 107 HE3 LYS 14 HE1 LYS 14 -6.814 -20.369 -20.836 108 HZ1 LYS 14 HZ1 LYS 14 -5.226 -20.249 -23.325 109 HZ2 LYS 14 HZ2 LYS 14 -5.658 -18.844 -22.474 110 HZ3 LYS 14 HZ3 LYS 14 -6.862 -19.867 -23.099 111 H GLU 15 HN GLU 15 -3.518 -19.241 -15.963 112 HA GLU 15 HA GLU 15 -6.031 -17.971 -16.300 113 HB2 GLU 15 HB2 GLU 15 -5.398 -19.353 -14.337 114 HB3 GLU 15 HB1 GLU 15 -4.278 -18.087 -13.841 115 HG2 GLU 15 HG2 GLU 15 -6.114 -16.483 -13.657 116 HG3 GLU 15 HG1 GLU 15 -7.258 -17.698 -14.226 117 H PHE 16 HN PHE 16 -2.836 -16.807 -15.321 118 HA PHE 16 HA PHE 16 -3.525 -14.113 -14.849 119 HB2 PHE 16 HB2 PHE 16 -1.354 -14.957 -14.138 120 HB3 PHE 16 HB1 PHE 16 -0.917 -15.315 -15.819 121 HD1 PHE 16 HD1 PHE 16 -0.667 -13.441 -17.468 122 HD2 PHE 16 HD2 PHE 16 -1.104 -12.738 -13.253 123 HE1 PHE 16 HE1 PHE 16 0.192 -11.135 -17.759 124 HE2 PHE 16 HE2 PHE 16 -0.248 -10.437 -13.547 125 HZ PHE 16 HZ PHE 16 0.401 -9.632 -15.799 126 H ASN 17 HN ASN 17 -2.368 -15.691 -17.853 127 HA ASN 17 HA ASN 17 -2.417 -13.327 -19.419 128 HB2 ASN 17 HB2 ASN 17 -1.191 -15.137 -20.320 129 HB3 ASN 17 HB1 ASN 17 -2.490 -16.280 -20.073 130 HD21 ASN 17 HD21 ASN 17 -3.089 -16.889 -22.169 131 HD22 ASN 17 HD22 ASN 17 -3.459 -15.800 -23.418 132 H TYR 18 HN TYR 18 -4.903 -15.774 -18.769 133 HA TYR 18 HA TYR 18 -6.772 -14.873 -20.630 134 HB2 TYR 18 HB2 TYR 18 -7.020 -16.996 -19.615 135 HB3 TYR 18 HB1 TYR 18 -7.131 -16.287 -17.989 136 HD1 TYR 18 HD1 TYR 18 -9.142 -15.005 -17.341 137 HD2 TYR 18 HD2 TYR 18 -8.882 -16.965 -21.143 138 HE1 TYR 18 HE1 TYR 18 -11.581 -14.726 -17.637 139 HE2 TYR 18 HE2 TYR 18 -11.330 -16.695 -21.447 140 HH TYR 18 HH TYR 18 -13.399 -15.716 -18.883 141 H LYS 19 HN LYS 19 -6.554 -14.163 -17.201 142 HA LYS 19 HA LYS 19 -8.703 -12.332 -17.103 143 HB2 LYS 19 HB2 LYS 19 -6.292 -12.459 -15.276 144 HB3 LYS 19 HB1 LYS 19 -7.860 -11.730 -14.935 145 HG2 LYS 19 HG2 LYS 19 -7.642 -14.654 -15.628 146 HG3 LYS 19 HG1 LYS 19 -7.401 -14.096 -13.979 147 HD2 LYS 19 HD2 LYS 19 -9.631 -13.047 -13.998 148 HD3 LYS 19 HD1 LYS 19 -9.889 -13.601 -15.647 149 HE2 LYS 19 HE2 LYS 19 -9.650 -15.941 -14.904 150 HE3 LYS 19 HE1 LYS 19 -9.409 -15.383 -13.247 151 HZ1 LYS 19 HZ1 LYS 19 -11.585 -14.402 -13.259 152 HZ2 LYS 19 HZ2 LYS 19 -11.715 -16.037 -13.704 153 HZ3 LYS 19 HZ3 LYS 19 -11.818 -14.821 -14.886 154 H SER 20 HN SER 20 -5.248 -11.934 -17.633 155 HA SER 20 HA SER 20 -5.217 -9.123 -17.489 156 HB2 SER 20 HB2 SER 20 -3.472 -11.002 -19.115 157 HB3 SER 20 HB1 SER 20 -3.132 -9.292 -18.861 158 HG SER 20 HG SER 20 -2.879 -9.682 -16.696 159 H ASN 21 HN ASN 21 -5.872 -11.243 -20.163 160 HA ASN 21 HA ASN 21 -6.202 -9.243 -22.172 161 HB2 ASN 21 HB2 ASN 21 -5.919 -11.635 -22.710 162 HB3 ASN 21 HB1 ASN 21 -7.474 -11.981 -21.944 163 HD21 ASN 21 HD21 ASN 21 -8.411 -12.685 -24.018 164 HD22 ASN 21 HD22 ASN 21 -8.804 -11.553 -25.221 165 H VAL 22 HN VAL 22 -8.388 -10.611 -19.778 166 HA VAL 22 HA VAL 22 -10.792 -9.488 -20.795 167 HB VAL 22 HB VAL 22 -10.030 -10.271 -17.982 168 HG11 VAL 22 HG11 VAL 22 -12.641 -9.433 -19.254 169 HG12 VAL 22 HG12 VAL 22 -11.894 -8.800 -17.787 170 HG13 VAL 22 HG13 VAL 22 -12.587 -10.421 -17.795 171 HG21 VAL 22 HG21 VAL 22 -11.781 -11.730 -19.970 172 HG22 VAL 22 HG22 VAL 22 -11.050 -12.360 -18.493 173 HG23 VAL 22 HG23 VAL 22 -10.044 -12.001 -19.892 174 H CYS 23 HN CYS 23 -8.511 -8.361 -18.289 175 HA CYS 23 HA CYS 23 -9.853 -5.882 -17.786 176 HB2 CYS 23 HB2 CYS 23 -7.107 -6.980 -17.197 177 HB3 CYS 23 HB1 CYS 23 -7.546 -5.286 -16.842 178 H ASN 24 HN ASN 24 -7.151 -6.773 -19.949 179 HA ASN 24 HA ASN 24 -6.606 -4.113 -20.749 180 HB2 ASN 24 HB2 ASN 24 -5.070 -5.990 -21.150 181 HB3 ASN 24 HB1 ASN 24 -6.245 -6.709 -22.247 182 HD21 ASN 24 HD21 ASN 24 -5.063 -6.486 -24.198 183 HD22 ASN 24 HD22 ASN 24 -4.615 -4.983 -24.846 184 H GLY 25 HN GLY 25 -9.131 -6.369 -21.689 185 HA2 GLY 25 HA2 GLY 25 -9.795 -4.675 -23.961 186 HA3 GLY 25 HA1 GLY 25 -10.678 -6.133 -23.497 187 H CYS 26 HN CYS 26 -10.055 -4.080 -20.847 188 HA CYS 26 HA CYS 26 -12.850 -3.262 -20.860 189 HB2 CYS 26 HB2 CYS 26 -11.712 -4.400 -18.880 190 HB3 CYS 26 HB1 CYS 26 -10.973 -2.818 -18.568 191 H GLY 27 HN GLY 27 -11.556 -1.880 -22.663 192 HA2 GLY 27 HA2 GLY 27 -11.102 0.133 -23.457 193 HA3 GLY 27 HA1 GLY 27 -12.326 0.693 -22.343 194 H ASP 28 HN ASP 28 -11.637 2.289 -20.959 195 HA ASP 28 HA ASP 28 -8.736 2.693 -20.601 196 HB2 ASP 28 HB2 ASP 28 -9.491 4.918 -19.636 197 HB3 ASP 28 HB1 ASP 28 -9.882 4.652 -21.332 198 H GLN 29 HN GLN 29 -10.739 0.783 -19.091 199 HA GLN 29 HA GLN 29 -10.126 1.625 -16.292 200 HB2 GLN 29 HB2 GLN 29 -11.893 -0.651 -17.209 201 HB3 GLN 29 HB1 GLN 29 -11.763 0.044 -15.592 202 HG2 GLN 29 HG2 GLN 29 -13.693 1.083 -16.378 203 HG3 GLN 29 HG1 GLN 29 -12.459 2.282 -16.780 204 HE21 GLN 29 HE21 GLN 29 -14.729 -0.033 -18.133 205 HE22 GLN 29 HE22 GLN 29 -14.462 0.366 -19.761 206 H VAL 30 HN VAL 30 -8.507 0.149 -18.594 207 HA VAL 30 HA VAL 30 -7.852 -2.349 -17.881 208 HB VAL 30 HB VAL 30 -5.666 -0.342 -18.461 209 HG11 VAL 30 HG11 VAL 30 -5.971 -3.305 -18.706 210 HG12 VAL 30 HG12 VAL 30 -4.559 -2.339 -18.312 211 HG13 VAL 30 HG13 VAL 30 -5.082 -2.480 -19.987 212 HG21 VAL 30 HG21 VAL 30 -7.385 0.227 -20.017 213 HG22 VAL 30 HG22 VAL 30 -7.776 -1.468 -20.318 214 HG23 VAL 30 HG23 VAL 30 -6.249 -0.797 -20.893 215 H ALA 31 HN ALA 31 -6.327 0.572 -16.425 216 HA ALA 31 HA ALA 31 -4.708 -0.973 -14.733 217 HB1 ALA 31 HB1 ALA 31 -5.374 1.944 -14.236 218 HB2 ALA 31 HB2 ALA 31 -4.239 1.405 -15.456 219 HB3 ALA 31 HB3 ALA 31 -3.960 1.002 -13.761 220 H ALA 32 HN ALA 32 -7.861 0.565 -14.205 221 HA ALA 32 HA ALA 32 -8.027 0.024 -11.449 222 HB1 ALA 32 HB1 ALA 32 -10.035 0.417 -13.671 223 HB2 ALA 32 HB2 ALA 32 -9.650 1.577 -12.415 224 HB3 ALA 32 HB3 ALA 32 -10.551 0.101 -12.026 225 H CYS 33 HN CYS 33 -8.895 -1.732 -14.323 226 HA CYS 33 HA CYS 33 -10.203 -3.892 -13.040 227 HB2 CYS 33 HB2 CYS 33 -10.491 -3.349 -15.433 228 HB3 CYS 33 HB1 CYS 33 -8.861 -3.913 -15.728 229 H GLU 34 HN GLU 34 -6.849 -3.252 -13.907 230 HA GLU 34 HA GLU 34 -5.963 -5.888 -13.254 231 HB2 GLU 34 HB2 GLU 34 -4.620 -3.325 -14.070 232 HB3 GLU 34 HB1 GLU 34 -3.649 -4.633 -13.454 233 HG2 GLU 34 HG2 GLU 34 -4.673 -6.119 -15.191 234 HG3 GLU 34 HG1 GLU 34 -5.561 -4.743 -15.804 235 H ALA 35 HN ALA 35 -6.589 -3.011 -11.424 236 HA ALA 35 HA ALA 35 -4.697 -2.792 -9.519 237 HB1 ALA 35 HB1 ALA 35 -6.737 -1.348 -9.481 238 HB2 ALA 35 HB2 ALA 35 -6.643 -2.236 -7.980 239 HB3 ALA 35 HB3 ALA 35 -7.680 -2.823 -9.255 240 H GLU 36 HN GLU 36 -7.504 -4.866 -9.093 241 HA GLU 36 HA GLU 36 -6.043 -6.144 -6.871 242 HB2 GLU 36 HB2 GLU 36 -8.973 -6.139 -7.569 243 HB3 GLU 36 HB1 GLU 36 -8.273 -7.090 -6.257 244 HG2 GLU 36 HG2 GLU 36 -7.414 -5.057 -5.201 245 HG3 GLU 36 HG1 GLU 36 -8.017 -4.083 -6.541 246 H CYS 37 HN CYS 37 -5.097 -6.930 -9.418 247 HA CYS 37 HA CYS 37 -4.798 -8.752 -10.724 248 HB2 CYS 37 HB2 CYS 37 -4.761 -9.613 -7.982 249 HB3 CYS 37 HB1 CYS 37 -5.636 -10.838 -8.877 250 H PHE 38 HN PHE 38 -7.144 -7.529 -11.139 251 HA PHE 38 HA PHE 38 -9.036 -7.840 -12.293 252 HB2 PHE 38 HB2 PHE 38 -8.848 -10.819 -12.573 253 HB3 PHE 38 HB1 PHE 38 -9.031 -9.534 -13.792 254 HD1 PHE 38 HD1 PHE 38 -6.860 -12.034 -12.611 255 HD2 PHE 38 HD2 PHE 38 -6.845 -7.946 -13.904 256 HE1 PHE 38 HE1 PHE 38 -4.441 -12.192 -13.110 257 HE2 PHE 38 HE2 PHE 38 -4.434 -8.134 -14.409 258 HZ PHE 38 HZ PHE 38 -3.234 -10.235 -14.015 259 H ARG 39 HN ARG 39 -8.613 -8.693 -9.280 260 HA ARG 39 HA ARG 39 -11.226 -9.971 -8.858 261 HB2 ARG 39 HB2 ARG 39 -9.057 -10.758 -7.662 262 HB3 ARG 39 HB1 ARG 39 -9.167 -9.254 -6.748 263 HG2 ARG 39 HG2 ARG 39 -11.446 -9.864 -6.033 264 HG3 ARG 39 HG1 ARG 39 -11.291 -11.400 -6.887 265 HD2 ARG 39 HD2 ARG 39 -9.440 -10.462 -4.678 266 HD3 ARG 39 HD1 ARG 39 -10.771 -11.595 -4.454 267 HE ARG 39 HE ARG 39 -8.201 -12.184 -5.600 268 HH11 ARG 39 HH11 ARG 39 -7.891 -14.312 -6.324 269 HH12 ARG 39 HH12 ARG 39 -9.259 -15.346 -6.567 270 HH21 ARG 39 HH21 ARG 39 -11.574 -12.945 -5.617 271 HH22 ARG 39 HH22 ARG 39 -11.346 -14.571 -6.167 272 H ASN 40 HN ASN 40 -12.252 -8.089 -9.668 273 HA ASN 40 HA ASN 40 -13.004 -6.314 -7.485 274 HB2 ASN 40 HB2 ASN 40 -12.430 -4.221 -8.772 275 HB3 ASN 40 HB1 ASN 40 -11.042 -5.185 -8.249 276 HD21 ASN 40 HD21 ASN 40 -9.737 -4.291 -9.985 277 HD22 ASN 40 HD22 ASN 40 -9.946 -4.832 -11.579 278 H ASP 41 HN ASP 41 -14.736 -4.711 -8.228 279 HA ASP 41 HA ASP 41 -16.663 -6.230 -9.573 280 HB2 ASP 41 HB2 ASP 41 -16.627 -3.274 -8.769 281 HB3 ASP 41 HB1 ASP 41 -18.068 -4.097 -9.325 282 H VAL 42 HN VAL 42 -14.417 -3.720 -10.639 283 HA VAL 42 HA VAL 42 -15.702 -3.182 -13.114 284 HB VAL 42 HB VAL 42 -12.828 -2.990 -12.158 285 HG11 VAL 42 HG11 VAL 42 -12.482 -1.629 -14.260 286 HG12 VAL 42 HG12 VAL 42 -13.983 -2.326 -14.864 287 HG13 VAL 42 HG13 VAL 42 -12.609 -3.365 -14.490 288 HG21 VAL 42 HG21 VAL 42 -15.003 -0.966 -12.743 289 HG22 VAL 42 HG22 VAL 42 -13.311 -0.514 -12.504 290 HG23 VAL 42 HG23 VAL 42 -14.221 -1.288 -11.192 291 H TYR 43 HN TYR 43 -13.287 -5.573 -12.161 292 HA TYR 43 HA TYR 43 -12.848 -6.725 -14.642 293 HB2 TYR 43 HB2 TYR 43 -11.495 -7.444 -12.772 294 HB3 TYR 43 HB1 TYR 43 -12.917 -7.936 -11.856 295 HD1 TYR 43 HD1 TYR 43 -13.833 -10.104 -12.092 296 HD2 TYR 43 HD2 TYR 43 -10.913 -8.699 -14.907 297 HE1 TYR 43 HE1 TYR 43 -13.691 -12.375 -13.072 298 HE2 TYR 43 HE2 TYR 43 -10.768 -10.972 -15.885 299 HH TYR 43 HH TYR 43 -12.659 -13.676 -14.542 300 H THR 44 HN THR 44 -15.292 -7.507 -12.187 301 HA THR 44 HA THR 44 -16.543 -9.515 -13.648 302 HB THR 44 HB THR 44 -17.710 -7.615 -11.605 303 HG1 THR 44 HG1 THR 44 -17.238 -10.353 -11.302 304 HG21 THR 44 HG21 THR 44 -18.906 -10.009 -13.019 305 HG22 THR 44 HG22 THR 44 -19.595 -8.395 -12.850 306 HG23 THR 44 HG23 THR 44 -19.491 -9.460 -11.448 307 H ALA 45 HN ALA 45 -17.293 -6.071 -13.588 308 HA ALA 45 HA ALA 45 -19.459 -5.894 -15.349 309 HB1 ALA 45 HB1 ALA 45 -18.524 -4.118 -13.830 310 HB2 ALA 45 HB2 ALA 45 -18.650 -3.444 -15.422 311 HB3 ALA 45 HB3 ALA 45 -17.120 -4.068 -14.851 312 H CYS 46 HN CYS 46 -15.916 -5.706 -15.894 313 HA CYS 46 HA CYS 46 -16.134 -5.345 -18.697 314 HB2 CYS 46 HB2 CYS 46 -13.702 -6.390 -17.150 315 HB3 CYS 46 HB1 CYS 46 -13.706 -5.640 -18.766 316 H HIS 47 HN HIS 47 -15.537 -8.196 -16.672 317 HA HIS 47 HA HIS 47 -15.205 -9.996 -18.809 318 HB2 HIS 47 HB2 HIS 47 -14.476 -10.418 -16.444 319 HB3 HIS 47 HB1 HIS 47 -16.170 -10.604 -15.997 320 HD1 HIS 47 HD1 HIS 47 -14.991 -11.892 -19.299 321 HD2 HIS 47 HD2 HIS 47 -15.809 -13.406 -15.503 322 HE1 HIS 47 HE1 HIS 47 -15.035 -14.412 -19.528 323 H GLU 48 HN GLU 48 -18.026 -9.094 -16.878 324 HA GLU 48 HA GLU 48 -19.822 -10.922 -18.105 325 HB2 GLU 48 HB2 GLU 48 -20.399 -8.338 -16.647 326 HB3 GLU 48 HB1 GLU 48 -21.564 -9.565 -17.062 327 HG2 GLU 48 HG2 GLU 48 -19.124 -10.324 -15.461 328 HG3 GLU 48 HG1 GLU 48 -20.555 -9.677 -14.668 329 H ALA 49 HN ALA 49 -18.652 -7.749 -18.931 330 HA ALA 49 HA ALA 49 -20.719 -7.159 -20.794 331 HB1 ALA 49 HB1 ALA 49 -17.981 -5.967 -20.333 332 HB2 ALA 49 HB2 ALA 49 -19.538 -5.326 -19.809 333 HB3 ALA 49 HB3 ALA 49 -19.121 -5.338 -21.521 334 H GLN 50 HN GLN 50 -17.763 -9.014 -20.893 335 HA GLN 50 HA GLN 50 -17.666 -8.906 -23.823 336 HB2 GLN 50 HB2 GLN 50 -15.841 -10.117 -21.713 337 HB3 GLN 50 HB1 GLN 50 -15.582 -10.352 -23.444 338 HG2 GLN 50 HG2 GLN 50 -15.362 -7.937 -23.756 339 HG3 GLN 50 HG1 GLN 50 -15.719 -7.666 -22.050 340 HE21 GLN 50 HE21 GLN 50 -13.374 -6.605 -22.541 341 HE22 GLN 50 HE22 GLN 50 -12.067 -7.611 -22.145 342 H LYS 51 HN LYS 51 -18.372 -10.435 -25.095 343 HA LYS 51 HA LYS 51 -20.103 -12.462 -24.132 344 HB2 LYS 51 HB2 LYS 51 -18.782 -12.099 -26.835 345 HB3 LYS 51 HB1 LYS 51 -20.046 -13.283 -26.493 346 HG2 LYS 51 HG2 LYS 51 -21.570 -11.470 -25.816 347 HG3 LYS 51 HG1 LYS 51 -20.309 -10.282 -26.151 348 HD2 LYS 51 HD2 LYS 51 -20.261 -10.995 -28.514 349 HD3 LYS 51 HD1 LYS 51 -21.529 -12.175 -28.182 350 HE2 LYS 51 HE2 LYS 51 -23.044 -10.352 -27.490 351 HE3 LYS 51 HE1 LYS 51 -21.779 -9.173 -27.836 352 HZ1 LYS 51 HZ1 LYS 51 -23.247 -9.315 -29.701 353 HZ2 LYS 51 HZ2 LYS 51 -23.079 -11.004 -29.777 354 HZ3 LYS 51 HZ3 LYS 51 -21.759 -10.000 -30.141 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 7.673 -6.997 -1.024 2 HA SER 1 HA SER 1 4.843 -6.603 -1.480 3 HB2 SER 1 HB2 SER 1 5.677 -4.203 -1.291 4 HB3 SER 1 HB1 SER 1 5.978 -5.216 0.117 5 HG SER 1 HG SER 1 7.999 -5.532 -1.566 6 H GLU 2 HN GLU 2 5.935 -7.934 -3.668 7 HA GLU 2 HA GLU 2 6.741 -6.054 -5.690 8 HB2 GLU 2 HB2 GLU 2 5.742 -8.820 -6.296 9 HB3 GLU 2 HB1 GLU 2 7.016 -7.911 -7.087 10 HG2 GLU 2 HG2 GLU 2 7.162 -9.080 -4.306 11 HG3 GLU 2 HG1 GLU 2 8.013 -9.660 -5.736 12 HA PRO 3 HA PRO 3 2.668 -4.954 -7.110 13 HB2 PRO 3 HB2 PRO 3 3.122 -4.250 -9.661 14 HB3 PRO 3 HB1 PRO 3 3.831 -3.356 -8.268 15 HG2 PRO 3 HG2 PRO 3 5.131 -5.348 -10.077 16 HG3 PRO 3 HG1 PRO 3 5.744 -3.798 -9.476 17 HD2 PRO 3 HD2 PRO 3 6.390 -6.225 -8.319 18 HD3 PRO 3 HD1 PRO 3 6.397 -4.684 -7.440 19 H ASP 4 HN ASP 4 3.536 -6.075 -10.199 20 HA ASP 4 HA ASP 4 1.471 -8.207 -10.254 21 HB2 ASP 4 HB2 ASP 4 2.833 -6.508 -12.321 22 HB3 ASP 4 HB1 ASP 4 2.213 -8.090 -12.797 23 H GLU 5 HN GLU 5 4.215 -8.437 -8.977 24 HA GLU 5 HA GLU 5 5.185 -10.751 -10.564 25 HB2 GLU 5 HB2 GLU 5 6.640 -8.708 -9.387 26 HB3 GLU 5 HB1 GLU 5 6.697 -9.956 -8.142 27 HG2 GLU 5 HG2 GLU 5 8.581 -10.360 -9.566 28 HG3 GLU 5 HG1 GLU 5 7.381 -11.591 -9.962 29 H ILE 6 HN ILE 6 4.419 -9.817 -7.189 30 HA ILE 6 HA ILE 6 4.402 -12.475 -6.214 31 HB ILE 6 HB ILE 6 3.250 -9.872 -5.220 32 HG12 ILE 6 HG12 ILE 6 5.754 -10.756 -5.081 33 HG13 ILE 6 HG11 ILE 6 5.036 -9.908 -3.717 34 HG21 ILE 6 HG21 ILE 6 1.573 -11.305 -4.390 35 HG22 ILE 6 HG22 ILE 6 2.730 -11.212 -3.064 36 HG23 ILE 6 HG23 ILE 6 2.705 -12.630 -4.113 37 HD11 ILE 6 HD11 ILE 6 6.305 -12.105 -3.246 38 HD12 ILE 6 HD12 ILE 6 4.908 -12.916 -3.951 39 HD13 ILE 6 HD13 ILE 6 4.715 -11.918 -2.509 40 H CYS 7 HN CYS 7 1.865 -10.422 -7.523 41 HA CYS 7 HA CYS 7 -0.295 -12.088 -6.917 42 HB2 CYS 7 HB2 CYS 7 -0.062 -9.655 -8.168 43 HB3 CYS 7 HB1 CYS 7 -0.490 -10.694 -9.524 44 H ARG 8 HN ARG 8 1.803 -12.076 -9.681 45 HA ARG 8 HA ARG 8 0.488 -14.127 -11.131 46 HB2 ARG 8 HB2 ARG 8 2.095 -12.571 -12.173 47 HB3 ARG 8 HB1 ARG 8 3.408 -13.356 -11.293 48 HG2 ARG 8 HG2 ARG 8 2.844 -15.509 -12.381 49 HG3 ARG 8 HG1 ARG 8 1.535 -14.716 -13.257 50 HD2 ARG 8 HD2 ARG 8 3.210 -13.170 -14.267 51 HD3 ARG 8 HD1 ARG 8 4.487 -14.085 -13.472 52 HE ARG 8 HE ARG 8 2.756 -15.738 -15.082 53 HH11 ARG 8 HH11 ARG 8 3.711 -16.633 -16.942 54 HH12 ARG 8 HH12 ARG 8 5.204 -15.986 -17.536 55 HH21 ARG 8 HH21 ARG 8 5.466 -13.591 -15.043 56 HH22 ARG 8 HH22 ARG 8 6.198 -14.264 -16.461 57 H ALA 9 HN ALA 9 3.036 -14.190 -8.731 58 HA ALA 9 HA ALA 9 3.837 -16.831 -8.998 59 HB1 ALA 9 HB1 ALA 9 4.935 -14.961 -7.652 60 HB2 ALA 9 HB2 ALA 9 4.963 -16.434 -6.854 61 HB3 ALA 9 HB3 ALA 9 3.748 -15.345 -6.366 62 H ARG 10 HN ARG 10 0.827 -15.610 -7.901 63 HA ARG 10 HA ARG 10 0.251 -17.958 -6.244 64 HB2 ARG 10 HB2 ARG 10 -0.597 -15.138 -6.336 65 HB3 ARG 10 HB1 ARG 10 -1.942 -16.262 -6.058 66 HG2 ARG 10 HG2 ARG 10 -0.693 -17.253 -4.166 67 HG3 ARG 10 HG1 ARG 10 0.633 -16.125 -4.451 68 HD2 ARG 10 HD2 ARG 10 -0.879 -14.232 -4.031 69 HD3 ARG 10 HD1 ARG 10 -2.212 -15.351 -3.752 70 HE ARG 10 HE ARG 10 0.007 -14.797 -1.943 71 HH11 ARG 10 HH11 ARG 10 -0.186 -15.750 0.110 72 HH12 ARG 10 HH12 ARG 10 -1.389 -16.965 0.388 73 HH21 ARG 10 HH21 ARG 10 -2.602 -16.882 -2.860 74 HH22 ARG 10 HH22 ARG 10 -2.756 -17.606 -1.294 75 H MET 11 HN MET 11 -0.246 -16.733 -9.396 76 HA MET 11 HA MET 11 -2.493 -18.606 -9.789 77 HB2 MET 11 HB2 MET 11 -3.273 -17.071 -11.642 78 HB3 MET 11 HB1 MET 11 -3.424 -16.453 -9.998 79 HG2 MET 11 HG2 MET 11 -1.498 -15.071 -10.251 80 HG3 MET 11 HG1 MET 11 -1.028 -15.873 -11.747 81 HE1 MET 11 HE1 MET 11 -4.890 -14.793 -10.894 82 HE2 MET 11 HE2 MET 11 -4.533 -13.069 -10.966 83 HE3 MET 11 HE3 MET 11 -3.649 -14.098 -9.841 84 H THR 12 HN THR 12 -2.626 -19.549 -11.917 85 HA THR 12 HA THR 12 -0.035 -20.315 -12.933 86 HB THR 12 HB THR 12 -1.445 -21.491 -14.692 87 HG1 THR 12 HG1 THR 12 -3.309 -19.979 -13.365 88 HG21 THR 12 HG21 THR 12 -0.668 -22.690 -12.749 89 HG22 THR 12 HG22 THR 12 -2.362 -23.113 -12.997 90 HG23 THR 12 HG23 THR 12 -1.916 -21.959 -11.741 91 H HIS 13 HN HIS 13 0.570 -20.077 -15.237 92 HA HIS 13 HA HIS 13 0.448 -17.343 -16.076 93 HB2 HIS 13 HB2 HIS 13 2.324 -18.960 -16.614 94 HB3 HIS 13 HB1 HIS 13 1.230 -19.745 -17.749 95 HD1 HIS 13 HD1 HIS 13 3.177 -18.908 -19.487 96 HD2 HIS 13 HD2 HIS 13 0.719 -15.941 -17.891 97 HE1 HIS 13 HE1 HIS 13 3.453 -16.876 -20.969 98 H LYS 14 HN LYS 14 -1.260 -20.256 -17.209 99 HA LYS 14 HA LYS 14 -2.527 -19.015 -19.365 100 HB2 LYS 14 HB2 LYS 14 -4.068 -20.886 -19.300 101 HB3 LYS 14 HB1 LYS 14 -2.478 -21.487 -18.825 102 HG2 LYS 14 HG2 LYS 14 -3.183 -21.039 -16.409 103 HG3 LYS 14 HG1 LYS 14 -4.818 -20.824 -17.032 104 HD2 LYS 14 HD2 LYS 14 -3.149 -23.312 -17.486 105 HD3 LYS 14 HD1 LYS 14 -4.349 -23.148 -16.205 106 HE2 LYS 14 HE2 LYS 14 -6.022 -22.547 -18.042 107 HE3 LYS 14 HE1 LYS 14 -4.807 -23.112 -19.190 108 HZ1 LYS 14 HZ1 LYS 14 -6.582 -24.740 -18.241 109 HZ2 LYS 14 HZ2 LYS 14 -5.525 -24.821 -16.913 110 HZ3 LYS 14 HZ3 LYS 14 -4.984 -25.259 -18.463 111 H GLU 15 HN GLU 15 -3.465 -19.198 -15.953 112 HA GLU 15 HA GLU 15 -5.992 -17.935 -16.283 113 HB2 GLU 15 HB2 GLU 15 -4.165 -18.351 -13.922 114 HB3 GLU 15 HB1 GLU 15 -5.680 -17.461 -13.768 115 HG2 GLU 15 HG2 GLU 15 -6.939 -19.362 -14.594 116 HG3 GLU 15 HG1 GLU 15 -5.450 -20.265 -14.879 117 H PHE 16 HN PHE 16 -2.798 -16.746 -15.341 118 HA PHE 16 HA PHE 16 -3.505 -14.064 -14.883 119 HB2 PHE 16 HB2 PHE 16 -1.308 -14.933 -14.222 120 HB3 PHE 16 HB1 PHE 16 -0.891 -15.194 -15.924 121 HD1 PHE 16 HD1 PHE 16 -1.088 -12.754 -13.224 122 HD2 PHE 16 HD2 PHE 16 -0.735 -13.211 -17.484 123 HE1 PHE 16 HE1 PHE 16 -0.299 -10.414 -13.411 124 HE2 PHE 16 HE2 PHE 16 0.053 -10.869 -17.665 125 HZ PHE 16 HZ PHE 16 0.272 -9.470 -15.631 126 H ASN 17 HN ASN 17 -2.389 -15.652 -17.901 127 HA ASN 17 HA ASN 17 -2.475 -13.297 -19.490 128 HB2 ASN 17 HB2 ASN 17 -2.636 -16.249 -20.108 129 HB3 ASN 17 HB1 ASN 17 -2.686 -15.028 -21.376 130 HD21 ASN 17 HD21 ASN 17 -0.531 -16.893 -21.226 131 HD22 ASN 17 HD22 ASN 17 0.881 -16.046 -20.814 132 H TYR 18 HN TYR 18 -4.925 -15.783 -18.801 133 HA TYR 18 HA TYR 18 -6.839 -14.914 -20.640 134 HB2 TYR 18 HB2 TYR 18 -7.085 -17.060 -19.663 135 HB3 TYR 18 HB1 TYR 18 -7.110 -16.394 -18.024 136 HD1 TYR 18 HD1 TYR 18 -9.050 -15.075 -17.250 137 HD2 TYR 18 HD2 TYR 18 -9.062 -17.036 -21.065 138 HE1 TYR 18 HE1 TYR 18 -11.502 -14.778 -17.382 139 HE2 TYR 18 HE2 TYR 18 -11.524 -16.747 -21.200 140 HH TYR 18 HH TYR 18 -13.406 -16.344 -19.821 141 H LYS 19 HN LYS 19 -6.645 -14.263 -17.191 142 HA LYS 19 HA LYS 19 -8.835 -12.489 -17.044 143 HB2 LYS 19 HB2 LYS 19 -6.427 -12.763 -15.228 144 HB3 LYS 19 HB1 LYS 19 -7.920 -11.904 -14.844 145 HG2 LYS 19 HG2 LYS 19 -9.190 -14.033 -15.186 146 HG3 LYS 19 HG1 LYS 19 -7.656 -14.875 -15.419 147 HD2 LYS 19 HD2 LYS 19 -6.937 -14.186 -13.175 148 HD3 LYS 19 HD1 LYS 19 -8.481 -13.358 -12.945 149 HE2 LYS 19 HE2 LYS 19 -9.673 -15.494 -13.195 150 HE3 LYS 19 HE1 LYS 19 -8.138 -16.327 -13.443 151 HZ1 LYS 19 HZ1 LYS 19 -8.269 -14.677 -11.069 152 HZ2 LYS 19 HZ2 LYS 19 -7.641 -16.241 -11.273 153 HZ3 LYS 19 HZ3 LYS 19 -9.311 -16.016 -11.056 154 H SER 20 HN SER 20 -5.379 -12.016 -17.573 155 HA SER 20 HA SER 20 -5.412 -9.198 -17.389 156 HB2 SER 20 HB2 SER 20 -3.579 -11.014 -18.992 157 HB3 SER 20 HB1 SER 20 -3.293 -9.298 -18.700 158 HG SER 20 HG SER 20 -2.568 -9.811 -16.805 159 H ASN 21 HN ASN 21 -5.943 -11.308 -20.116 160 HA ASN 21 HA ASN 21 -6.276 -9.296 -22.111 161 HB2 ASN 21 HB2 ASN 21 -5.946 -11.712 -22.606 162 HB3 ASN 21 HB1 ASN 21 -7.547 -12.037 -21.938 163 HD21 ASN 21 HD21 ASN 21 -8.131 -12.792 -24.203 164 HD22 ASN 21 HD22 ASN 21 -8.530 -11.623 -25.367 165 H VAL 22 HN VAL 22 -8.487 -10.684 -19.757 166 HA VAL 22 HA VAL 22 -10.888 -9.588 -20.813 167 HB VAL 22 HB VAL 22 -10.157 -10.335 -17.981 168 HG11 VAL 22 HG11 VAL 22 -12.702 -10.467 -17.779 169 HG12 VAL 22 HG12 VAL 22 -12.771 -9.544 -19.281 170 HG13 VAL 22 HG13 VAL 22 -12.027 -8.837 -17.847 171 HG21 VAL 22 HG21 VAL 22 -11.871 -11.791 -19.999 172 HG22 VAL 22 HG22 VAL 22 -11.220 -12.418 -18.484 173 HG23 VAL 22 HG23 VAL 22 -10.145 -12.090 -19.840 174 H CYS 23 HN CYS 23 -8.612 -8.422 -18.320 175 HA CYS 23 HA CYS 23 -9.971 -5.952 -17.842 176 HB2 CYS 23 HB2 CYS 23 -7.160 -6.927 -17.303 177 HB3 CYS 23 HB1 CYS 23 -7.686 -5.260 -16.946 178 H ASN 24 HN ASN 24 -7.325 -6.845 -20.081 179 HA ASN 24 HA ASN 24 -6.837 -4.174 -20.892 180 HB2 ASN 24 HB2 ASN 24 -5.263 -6.033 -21.309 181 HB3 ASN 24 HB1 ASN 24 -6.439 -6.764 -22.400 182 HD21 ASN 24 HD21 ASN 24 -5.659 -6.433 -24.473 183 HD22 ASN 24 HD22 ASN 24 -5.077 -4.955 -25.071 184 H GLY 25 HN GLY 25 -9.337 -6.516 -21.823 185 HA2 GLY 25 HA2 GLY 25 -10.052 -4.833 -24.086 186 HA3 GLY 25 HA1 GLY 25 -10.896 -6.310 -23.636 187 H CYS 26 HN CYS 26 -10.362 -4.352 -20.935 188 HA CYS 26 HA CYS 26 -13.176 -3.773 -20.858 189 HB2 CYS 26 HB2 CYS 26 -11.899 -4.468 -18.797 190 HB3 CYS 26 HB1 CYS 26 -11.116 -2.873 -18.841 191 H GLY 27 HN GLY 27 -10.357 -1.786 -21.774 192 HA2 GLY 27 HA2 GLY 27 -11.055 0.036 -23.094 193 HA3 GLY 27 HA1 GLY 27 -12.212 0.530 -21.889 194 H ASP 28 HN ASP 28 -11.555 2.204 -20.632 195 HA ASP 28 HA ASP 28 -8.665 2.738 -20.384 196 HB2 ASP 28 HB2 ASP 28 -11.146 4.386 -19.876 197 HB3 ASP 28 HB1 ASP 28 -9.524 4.952 -19.461 198 H GLN 29 HN GLN 29 -10.596 0.798 -18.850 199 HA GLN 29 HA GLN 29 -9.927 1.683 -16.083 200 HB2 GLN 29 HB2 GLN 29 -11.720 -0.611 -16.873 201 HB3 GLN 29 HB1 GLN 29 -11.511 0.126 -15.290 202 HG2 GLN 29 HG2 GLN 29 -12.652 1.519 -17.718 203 HG3 GLN 29 HG1 GLN 29 -13.576 0.942 -16.329 204 HE21 GLN 29 HE21 GLN 29 -12.568 3.784 -17.530 205 HE22 GLN 29 HE22 GLN 29 -12.189 4.617 -16.100 206 H VAL 30 HN VAL 30 -8.353 0.190 -18.405 207 HA VAL 30 HA VAL 30 -7.662 -2.305 -17.704 208 HB VAL 30 HB VAL 30 -5.515 -0.273 -18.313 209 HG11 VAL 30 HG11 VAL 30 -4.685 -2.497 -17.922 210 HG12 VAL 30 HG12 VAL 30 -4.637 -2.207 -19.659 211 HG13 VAL 30 HG13 VAL 30 -5.917 -3.202 -18.967 212 HG21 VAL 30 HG21 VAL 30 -6.131 -0.787 -20.736 213 HG22 VAL 30 HG22 VAL 30 -7.216 0.287 -19.855 214 HG23 VAL 30 HG23 VAL 30 -7.659 -1.402 -20.106 215 H ALA 31 HN ALA 31 -6.231 0.645 -16.221 216 HA ALA 31 HA ALA 31 -4.584 -0.907 -14.527 217 HB1 ALA 31 HB1 ALA 31 -3.870 1.059 -13.505 218 HB2 ALA 31 HB2 ALA 31 -5.290 1.991 -14.011 219 HB3 ALA 31 HB3 ALA 31 -4.113 1.482 -15.196 220 H ALA 32 HN ALA 32 -7.781 0.602 -14.022 221 HA ALA 32 HA ALA 32 -8.002 0.048 -11.264 222 HB1 ALA 32 HB1 ALA 32 -9.655 1.543 -12.192 223 HB2 ALA 32 HB2 ALA 32 -10.529 0.026 -11.955 224 HB3 ALA 32 HB3 ALA 32 -9.914 0.469 -13.550 225 H CYS 33 HN CYS 33 -8.791 -1.717 -14.147 226 HA CYS 33 HA CYS 33 -10.075 -3.904 -12.902 227 HB2 CYS 33 HB2 CYS 33 -10.338 -3.304 -15.319 228 HB3 CYS 33 HB1 CYS 33 -8.699 -3.882 -15.578 229 H GLU 34 HN GLU 34 -6.738 -3.200 -13.783 230 HA GLU 34 HA GLU 34 -5.770 -5.817 -13.166 231 HB2 GLU 34 HB2 GLU 34 -4.532 -3.181 -13.923 232 HB3 GLU 34 HB1 GLU 34 -3.506 -4.469 -13.346 233 HG2 GLU 34 HG2 GLU 34 -4.334 -5.934 -15.129 234 HG3 GLU 34 HG1 GLU 34 -5.470 -4.710 -15.655 235 H ALA 35 HN ALA 35 -6.492 -2.991 -11.285 236 HA ALA 35 HA ALA 35 -4.629 -2.744 -9.351 237 HB1 ALA 35 HB1 ALA 35 -6.874 -1.484 -9.542 238 HB2 ALA 35 HB2 ALA 35 -6.426 -1.934 -7.941 239 HB3 ALA 35 HB3 ALA 35 -7.574 -2.941 -8.813 240 H GLU 36 HN GLU 36 -7.373 -4.912 -9.110 241 HA GLU 36 HA GLU 36 -6.002 -6.185 -6.825 242 HB2 GLU 36 HB2 GLU 36 -8.925 -6.194 -7.595 243 HB3 GLU 36 HB1 GLU 36 -8.247 -7.138 -6.267 244 HG2 GLU 36 HG2 GLU 36 -7.433 -5.097 -5.190 245 HG3 GLU 36 HG1 GLU 36 -8.025 -4.127 -6.536 246 H CYS 37 HN CYS 37 -5.043 -6.901 -9.419 247 HA CYS 37 HA CYS 37 -4.717 -8.707 -10.750 248 HB2 CYS 37 HB2 CYS 37 -4.699 -9.602 -8.016 249 HB3 CYS 37 HB1 CYS 37 -5.534 -10.830 -8.948 250 H PHE 38 HN PHE 38 -7.101 -7.480 -11.167 251 HA PHE 38 HA PHE 38 -8.983 -7.791 -12.331 252 HB2 PHE 38 HB2 PHE 38 -8.732 -10.760 -12.617 253 HB3 PHE 38 HB1 PHE 38 -8.965 -9.483 -13.832 254 HD1 PHE 38 HD1 PHE 38 -6.711 -11.936 -12.726 255 HD2 PHE 38 HD2 PHE 38 -6.808 -7.826 -13.934 256 HE1 PHE 38 HE1 PHE 38 -4.300 -12.047 -13.290 257 HE2 PHE 38 HE2 PHE 38 -4.407 -7.959 -14.490 258 HZ PHE 38 HZ PHE 38 -3.151 -10.043 -14.173 259 H ARG 39 HN ARG 39 -8.579 -8.647 -9.310 260 HA ARG 39 HA ARG 39 -11.179 -9.975 -8.912 261 HB2 ARG 39 HB2 ARG 39 -9.127 -9.244 -6.798 262 HB3 ARG 39 HB1 ARG 39 -10.447 -10.396 -6.661 263 HG2 ARG 39 HG2 ARG 39 -9.379 -11.895 -8.270 264 HG3 ARG 39 HG1 ARG 39 -8.100 -10.718 -8.559 265 HD2 ARG 39 HD2 ARG 39 -7.266 -12.389 -7.005 266 HD3 ARG 39 HD1 ARG 39 -7.475 -10.867 -6.144 267 HE ARG 39 HE ARG 39 -9.235 -11.826 -4.937 268 HH11 ARG 39 HH11 ARG 39 -10.429 -13.630 -4.246 269 HH12 ARG 39 HH12 ARG 39 -10.367 -15.102 -5.156 270 HH21 ARG 39 HH21 ARG 39 -8.199 -13.842 -7.551 271 HH22 ARG 39 HH22 ARG 39 -9.103 -15.223 -7.027 272 H ASN 40 HN ASN 40 -12.230 -8.089 -9.728 273 HA ASN 40 HA ASN 40 -13.004 -6.331 -7.552 274 HB2 ASN 40 HB2 ASN 40 -12.409 -4.249 -8.843 275 HB3 ASN 40 HB1 ASN 40 -11.034 -5.202 -8.278 276 HD21 ASN 40 HD21 ASN 40 -9.566 -4.595 -9.905 277 HD22 ASN 40 HD22 ASN 40 -9.769 -5.009 -11.537 278 H ASP 41 HN ASP 41 -14.751 -4.758 -8.319 279 HA ASP 41 HA ASP 41 -16.631 -6.297 -9.711 280 HB2 ASP 41 HB2 ASP 41 -17.381 -4.695 -7.990 281 HB3 ASP 41 HB1 ASP 41 -16.614 -3.375 -8.861 282 H VAL 42 HN VAL 42 -14.437 -3.704 -10.732 283 HA VAL 42 HA VAL 42 -15.686 -3.199 -13.217 284 HB VAL 42 HB VAL 42 -12.819 -2.977 -12.254 285 HG11 VAL 42 HG11 VAL 42 -12.497 -1.601 -14.360 286 HG12 VAL 42 HG12 VAL 42 -13.966 -2.343 -14.969 287 HG13 VAL 42 HG13 VAL 42 -12.562 -3.340 -14.582 288 HG21 VAL 42 HG21 VAL 42 -14.976 -0.942 -12.898 289 HG22 VAL 42 HG22 VAL 42 -13.299 -0.525 -12.527 290 HG23 VAL 42 HG23 VAL 42 -14.309 -1.313 -11.305 291 H TYR 43 HN TYR 43 -13.220 -5.542 -12.299 292 HA TYR 43 HA TYR 43 -12.790 -6.696 -14.787 293 HB2 TYR 43 HB2 TYR 43 -11.389 -7.402 -12.975 294 HB3 TYR 43 HB1 TYR 43 -12.774 -7.842 -11.982 295 HD1 TYR 43 HD1 TYR 43 -10.828 -8.791 -15.015 296 HD2 TYR 43 HD2 TYR 43 -13.816 -9.975 -12.166 297 HE1 TYR 43 HE1 TYR 43 -10.757 -11.111 -15.892 298 HE2 TYR 43 HE2 TYR 43 -13.750 -12.287 -13.053 299 HH TYR 43 HH TYR 43 -11.751 -13.683 -14.400 300 H THR 44 HN THR 44 -15.198 -7.541 -12.286 301 HA THR 44 HA THR 44 -16.366 -9.592 -13.758 302 HB THR 44 HB THR 44 -17.602 -7.777 -11.678 303 HG1 THR 44 HG1 THR 44 -16.470 -9.025 -10.457 304 HG21 THR 44 HG21 THR 44 -19.271 -9.694 -11.508 305 HG22 THR 44 HG22 THR 44 -18.639 -10.259 -13.054 306 HG23 THR 44 HG23 THR 44 -19.426 -8.686 -12.947 307 H ALA 45 HN ALA 45 -17.327 -6.192 -13.630 308 HA ALA 45 HA ALA 45 -19.521 -6.068 -15.340 309 HB1 ALA 45 HB1 ALA 45 -19.056 -3.660 -15.080 310 HB2 ALA 45 HB2 ALA 45 -17.373 -4.005 -14.880 311 HB3 ALA 45 HB3 ALA 45 -18.522 -4.508 -13.642 312 H CYS 46 HN CYS 46 -16.040 -5.763 -15.972 313 HA CYS 46 HA CYS 46 -16.390 -5.281 -18.766 314 HB2 CYS 46 HB2 CYS 46 -13.874 -6.214 -17.302 315 HB3 CYS 46 HB1 CYS 46 -13.978 -5.448 -18.904 316 H HIS 47 HN HIS 47 -15.777 -8.157 -16.767 317 HA HIS 47 HA HIS 47 -15.398 -9.921 -18.921 318 HB2 HIS 47 HB2 HIS 47 -14.812 -10.382 -16.517 319 HB3 HIS 47 HB1 HIS 47 -16.532 -10.582 -16.184 320 HD1 HIS 47 HD1 HIS 47 -17.749 -12.529 -17.645 321 HD2 HIS 47 HD2 HIS 47 -13.587 -12.657 -17.484 322 HE1 HIS 47 HE1 HIS 47 -17.075 -14.858 -18.380 323 H GLU 48 HN GLU 48 -18.335 -9.075 -17.124 324 HA GLU 48 HA GLU 48 -20.022 -10.915 -18.500 325 HB2 GLU 48 HB2 GLU 48 -21.854 -9.234 -17.605 326 HB3 GLU 48 HB1 GLU 48 -20.981 -10.318 -16.517 327 HG2 GLU 48 HG2 GLU 48 -20.150 -8.540 -15.376 328 HG3 GLU 48 HG1 GLU 48 -19.541 -7.817 -16.856 329 H ALA 49 HN ALA 49 -18.926 -7.706 -19.165 330 HA ALA 49 HA ALA 49 -20.907 -7.081 -21.099 331 HB1 ALA 49 HB1 ALA 49 -18.179 -5.857 -20.602 332 HB2 ALA 49 HB2 ALA 49 -19.720 -5.308 -19.949 333 HB3 ALA 49 HB3 ALA 49 -19.401 -5.193 -21.686 334 H GLN 50 HN GLN 50 -17.909 -8.871 -21.139 335 HA GLN 50 HA GLN 50 -17.774 -8.742 -24.068 336 HB2 GLN 50 HB2 GLN 50 -15.928 -9.986 -21.980 337 HB3 GLN 50 HB1 GLN 50 -15.634 -10.049 -23.720 338 HG2 GLN 50 HG2 GLN 50 -15.959 -7.478 -22.151 339 HG3 GLN 50 HG1 GLN 50 -14.399 -8.198 -22.546 340 HE21 GLN 50 HE21 GLN 50 -16.199 -5.731 -23.555 341 HE22 GLN 50 HE22 GLN 50 -15.940 -5.800 -25.232 342 H LYS 51 HN LYS 51 -18.405 -10.289 -25.344 343 HA LYS 51 HA LYS 51 -19.987 -12.452 -24.290 344 HB2 LYS 51 HB2 LYS 51 -19.122 -11.732 -27.104 345 HB3 LYS 51 HB1 LYS 51 -20.201 -13.073 -26.717 346 HG2 LYS 51 HG2 LYS 51 -21.788 -11.523 -25.671 347 HG3 LYS 51 HG1 LYS 51 -20.703 -10.171 -25.998 348 HD2 LYS 51 HD2 LYS 51 -20.883 -10.636 -28.431 349 HD3 LYS 51 HD1 LYS 51 -22.020 -11.940 -28.081 350 HE2 LYS 51 HE2 LYS 51 -22.441 -9.056 -27.251 351 HE3 LYS 51 HE1 LYS 51 -23.145 -9.782 -28.696 352 HZ1 LYS 51 HZ1 LYS 51 -23.588 -11.409 -26.410 353 HZ2 LYS 51 HZ2 LYS 51 -24.718 -10.736 -27.485 354 HZ3 LYS 51 HZ3 LYS 51 -24.177 -9.841 -26.147 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 7.278 -6.114 0.621 2 HA SER 1 HA SER 1 6.765 -7.870 -0.984 3 HB2 SER 1 HB2 SER 1 4.680 -5.753 -0.401 4 HB3 SER 1 HB1 SER 1 4.277 -7.308 -1.125 5 HG SER 1 HG SER 1 5.824 -7.138 1.229 6 H GLU 2 HN GLU 2 7.318 -8.186 -3.053 7 HA GLU 2 HA GLU 2 7.591 -6.324 -5.043 8 HB2 GLU 2 HB2 GLU 2 7.264 -9.261 -4.925 9 HB3 GLU 2 HB1 GLU 2 6.862 -8.557 -6.489 10 HG2 GLU 2 HG2 GLU 2 9.282 -9.207 -6.275 11 HG3 GLU 2 HG1 GLU 2 9.053 -7.497 -6.623 12 HA PRO 3 HA PRO 3 3.538 -5.080 -6.259 13 HB2 PRO 3 HB2 PRO 3 3.824 -4.501 -8.880 14 HB3 PRO 3 HB1 PRO 3 4.684 -3.588 -7.597 15 HG2 PRO 3 HG2 PRO 3 5.722 -5.787 -9.341 16 HG3 PRO 3 HG1 PRO 3 6.469 -4.235 -8.921 17 HD2 PRO 3 HD2 PRO 3 7.106 -6.567 -7.621 18 HD3 PRO 3 HD1 PRO 3 7.180 -4.975 -6.835 19 H ASP 4 HN ASP 4 3.900 -6.163 -9.406 20 HA ASP 4 HA ASP 4 1.593 -7.915 -9.261 21 HB2 ASP 4 HB2 ASP 4 2.742 -8.195 -11.867 22 HB3 ASP 4 HB1 ASP 4 1.384 -7.175 -11.411 23 H GLU 5 HN GLU 5 5.186 -8.337 -9.461 24 HA GLU 5 HA GLU 5 5.334 -10.947 -10.324 25 HB2 GLU 5 HB2 GLU 5 7.462 -10.349 -9.888 26 HB3 GLU 5 HB1 GLU 5 6.941 -9.108 -8.750 27 HG2 GLU 5 HG2 GLU 5 8.346 -10.788 -7.635 28 HG3 GLU 5 HG1 GLU 5 6.716 -10.879 -7.004 29 H ILE 6 HN ILE 6 4.345 -9.828 -7.123 30 HA ILE 6 HA ILE 6 4.189 -12.386 -5.888 31 HB ILE 6 HB ILE 6 2.579 -9.898 -5.294 32 HG12 ILE 6 HG12 ILE 6 4.999 -9.446 -5.321 33 HG13 ILE 6 HG11 ILE 6 4.358 -9.355 -3.683 34 HG21 ILE 6 HG21 ILE 6 2.565 -10.883 -2.970 35 HG22 ILE 6 HG22 ILE 6 3.212 -12.369 -3.666 36 HG23 ILE 6 HG23 ILE 6 1.625 -11.781 -4.162 37 HD11 ILE 6 HD11 ILE 6 5.056 -11.917 -3.595 38 HD12 ILE 6 HD12 ILE 6 6.251 -10.657 -3.333 39 HD13 ILE 6 HD13 ILE 6 6.132 -11.445 -4.898 40 H CYS 7 HN CYS 7 1.790 -10.428 -7.636 41 HA CYS 7 HA CYS 7 -0.368 -12.175 -7.134 42 HB2 CYS 7 HB2 CYS 7 -0.065 -9.719 -8.424 43 HB3 CYS 7 HB1 CYS 7 -0.548 -10.803 -9.724 44 H ARG 8 HN ARG 8 1.934 -12.034 -9.778 45 HA ARG 8 HA ARG 8 0.791 -14.095 -11.337 46 HB2 ARG 8 HB2 ARG 8 3.588 -12.985 -11.215 47 HB3 ARG 8 HB1 ARG 8 3.099 -14.228 -12.369 48 HG2 ARG 8 HG2 ARG 8 1.332 -12.758 -13.236 49 HG3 ARG 8 HG1 ARG 8 1.766 -11.522 -12.054 50 HD2 ARG 8 HD2 ARG 8 3.687 -12.619 -14.116 51 HD3 ARG 8 HD1 ARG 8 2.745 -11.146 -14.342 52 HE ARG 8 HE ARG 8 4.109 -10.959 -11.887 53 HH11 ARG 8 HH11 ARG 8 6.015 -9.744 -11.773 54 HH12 ARG 8 HH12 ARG 8 6.906 -9.401 -13.218 55 HH21 ARG 8 HH21 ARG 8 4.703 -11.099 -15.291 56 HH22 ARG 8 HH22 ARG 8 6.162 -10.168 -15.212 57 H ALA 9 HN ALA 9 3.239 -14.148 -8.799 58 HA ALA 9 HA ALA 9 4.042 -16.792 -9.083 59 HB1 ALA 9 HB1 ALA 9 5.232 -14.998 -7.794 60 HB2 ALA 9 HB2 ALA 9 5.097 -16.402 -6.850 61 HB3 ALA 9 HB3 ALA 9 3.984 -15.186 -6.517 62 H ARG 10 HN ARG 10 1.062 -15.556 -7.959 63 HA ARG 10 HA ARG 10 0.510 -17.893 -6.270 64 HB2 ARG 10 HB2 ARG 10 0.129 -15.666 -5.287 65 HB3 ARG 10 HB1 ARG 10 -1.000 -15.279 -6.583 66 HG2 ARG 10 HG2 ARG 10 -2.500 -17.045 -5.883 67 HG3 ARG 10 HG1 ARG 10 -1.332 -17.628 -4.697 68 HD2 ARG 10 HD2 ARG 10 -1.504 -15.483 -3.490 69 HD3 ARG 10 HD1 ARG 10 -2.665 -14.905 -4.682 70 HE ARG 10 HE ARG 10 -4.292 -16.304 -3.737 71 HH11 ARG 10 HH11 ARG 10 -5.042 -17.613 -2.041 72 HH12 ARG 10 HH12 ARG 10 -3.916 -18.288 -0.911 73 HH21 ARG 10 HH21 ARG 10 -1.134 -16.890 -2.435 74 HH22 ARG 10 HH22 ARG 10 -1.706 -17.880 -1.133 75 H MET 11 HN MET 11 -0.067 -16.664 -9.380 76 HA MET 11 HA MET 11 -2.359 -18.486 -9.729 77 HB2 MET 11 HB2 MET 11 -3.094 -16.889 -11.588 78 HB3 MET 11 HB1 MET 11 -3.277 -16.328 -9.928 79 HG2 MET 11 HG2 MET 11 -0.733 -15.464 -10.510 80 HG3 MET 11 HG1 MET 11 -1.509 -15.309 -12.062 81 HE1 MET 11 HE1 MET 11 -4.514 -14.876 -11.237 82 HE2 MET 11 HE2 MET 11 -3.649 -14.057 -12.531 83 HE3 MET 11 HE3 MET 11 -4.579 -13.115 -11.365 84 H THR 12 HN THR 12 -2.556 -19.436 -11.869 85 HA THR 12 HA THR 12 -0.008 -20.257 -12.964 86 HB THR 12 HB THR 12 -1.341 -21.591 -14.503 87 HG1 THR 12 HG1 THR 12 -2.970 -19.776 -14.577 88 HG21 THR 12 HG21 THR 12 -1.041 -22.295 -12.112 89 HG22 THR 12 HG22 THR 12 -2.496 -22.947 -12.866 90 HG23 THR 12 HG23 THR 12 -2.614 -21.580 -11.757 91 H HIS 13 HN HIS 13 0.518 -20.044 -15.286 92 HA HIS 13 HA HIS 13 0.394 -17.316 -16.153 93 HB2 HIS 13 HB2 HIS 13 1.239 -19.828 -17.627 94 HB3 HIS 13 HB1 HIS 13 1.485 -18.185 -18.217 95 HD1 HIS 13 HD1 HIS 13 3.147 -16.663 -16.829 96 HD2 HIS 13 HD2 HIS 13 3.044 -20.656 -15.638 97 HE1 HIS 13 HE1 HIS 13 5.168 -17.019 -15.346 98 H LYS 14 HN LYS 14 -1.346 -20.241 -17.210 99 HA LYS 14 HA LYS 14 -2.656 -19.049 -19.354 100 HB2 LYS 14 HB2 LYS 14 -2.641 -21.394 -19.155 101 HB3 LYS 14 HB1 LYS 14 -3.409 -21.329 -17.530 102 HG2 LYS 14 HG2 LYS 14 -5.474 -20.501 -18.530 103 HG3 LYS 14 HG1 LYS 14 -4.713 -20.413 -20.119 104 HD2 LYS 14 HD2 LYS 14 -4.409 -22.867 -20.094 105 HD3 LYS 14 HD1 LYS 14 -5.183 -22.941 -18.510 106 HE2 LYS 14 HE2 LYS 14 -6.924 -23.437 -20.047 107 HE3 LYS 14 HE1 LYS 14 -7.176 -21.744 -19.620 108 HZ1 LYS 14 HZ1 LYS 14 -5.798 -21.192 -21.620 109 HZ2 LYS 14 HZ2 LYS 14 -7.315 -21.882 -21.955 110 HZ3 LYS 14 HZ3 LYS 14 -5.905 -22.824 -22.071 111 H GLU 15 HN GLU 15 -3.579 -19.248 -15.948 112 HA GLU 15 HA GLU 15 -6.113 -18.025 -16.299 113 HB2 GLU 15 HB2 GLU 15 -5.448 -19.383 -14.319 114 HB3 GLU 15 HB1 GLU 15 -4.381 -18.069 -13.821 115 HG2 GLU 15 HG2 GLU 15 -6.278 -16.537 -13.678 116 HG3 GLU 15 HG1 GLU 15 -7.365 -17.799 -14.261 117 H PHE 16 HN PHE 16 -2.933 -16.807 -15.367 118 HA PHE 16 HA PHE 16 -3.661 -14.117 -14.905 119 HB2 PHE 16 HB2 PHE 16 -1.458 -15.119 -14.284 120 HB3 PHE 16 HB1 PHE 16 -1.021 -15.111 -15.991 121 HD1 PHE 16 HD1 PHE 16 -1.540 -13.061 -12.994 122 HD2 PHE 16 HD2 PHE 16 -0.771 -12.986 -17.221 123 HE1 PHE 16 HE1 PHE 16 -0.853 -10.682 -12.829 124 HE2 PHE 16 HE2 PHE 16 -0.084 -10.608 -17.053 125 HZ PHE 16 HZ PHE 16 -0.123 -9.457 -14.858 126 H ASN 17 HN ASN 17 -2.508 -15.697 -17.901 127 HA ASN 17 HA ASN 17 -2.557 -13.339 -19.495 128 HB2 ASN 17 HB2 ASN 17 -2.740 -16.275 -20.171 129 HB3 ASN 17 HB1 ASN 17 -2.656 -15.006 -21.387 130 HD21 ASN 17 HD21 ASN 17 -0.587 -16.992 -21.126 131 HD22 ASN 17 HD22 ASN 17 0.825 -16.205 -20.608 132 H TYR 18 HN TYR 18 -5.003 -15.815 -18.867 133 HA TYR 18 HA TYR 18 -6.896 -14.956 -20.726 134 HB2 TYR 18 HB2 TYR 18 -7.127 -17.073 -19.684 135 HB3 TYR 18 HB1 TYR 18 -7.234 -16.339 -18.065 136 HD1 TYR 18 HD1 TYR 18 -8.994 -17.138 -21.173 137 HD2 TYR 18 HD2 TYR 18 -9.260 -15.008 -17.456 138 HE1 TYR 18 HE1 TYR 18 -11.442 -16.905 -21.481 139 HE2 TYR 18 HE2 TYR 18 -11.709 -14.774 -17.760 140 HH TYR 18 HH TYR 18 -13.242 -15.148 -20.593 141 H LYS 19 HN LYS 19 -6.666 -14.224 -17.290 142 HA LYS 19 HA LYS 19 -8.844 -12.410 -17.188 143 HB2 LYS 19 HB2 LYS 19 -6.413 -12.518 -15.397 144 HB3 LYS 19 HB1 LYS 19 -7.958 -11.749 -15.040 145 HG2 LYS 19 HG2 LYS 19 -7.802 -14.686 -15.692 146 HG3 LYS 19 HG1 LYS 19 -7.524 -14.103 -14.055 147 HD2 LYS 19 HD2 LYS 19 -9.741 -12.979 -14.095 148 HD3 LYS 19 HD1 LYS 19 -10.031 -13.646 -15.701 149 HE2 LYS 19 HE2 LYS 19 -11.100 -15.071 -14.033 150 HE3 LYS 19 HE1 LYS 19 -9.757 -15.940 -14.776 151 HZ1 LYS 19 HZ1 LYS 19 -9.005 -14.390 -12.472 152 HZ2 LYS 19 HZ2 LYS 19 -8.647 -16.003 -12.860 153 HZ3 LYS 19 HZ3 LYS 19 -10.125 -15.613 -12.119 154 H SER 20 HN SER 20 -5.402 -11.961 -17.755 155 HA SER 20 HA SER 20 -5.397 -9.151 -17.624 156 HB2 SER 20 HB2 SER 20 -3.629 -10.980 -19.273 157 HB3 SER 20 HB1 SER 20 -3.297 -9.284 -18.939 158 HG SER 20 HG SER 20 -3.811 -11.031 -16.810 159 H ASN 21 HN ASN 21 -6.006 -11.314 -20.295 160 HA ASN 21 HA ASN 21 -6.373 -9.322 -22.311 161 HB2 ASN 21 HB2 ASN 21 -6.062 -11.712 -22.830 162 HB3 ASN 21 HB1 ASN 21 -7.608 -12.069 -22.053 163 HD21 ASN 21 HD21 ASN 21 -7.592 -12.825 -24.654 164 HD22 ASN 21 HD22 ASN 21 -8.411 -11.713 -25.642 165 H VAL 22 HN VAL 22 -8.544 -10.693 -19.898 166 HA VAL 22 HA VAL 22 -10.954 -9.592 -20.915 167 HB VAL 22 HB VAL 22 -10.175 -10.330 -18.096 168 HG11 VAL 22 HG11 VAL 22 -12.799 -9.503 -19.341 169 HG12 VAL 22 HG12 VAL 22 -12.034 -8.858 -17.888 170 HG13 VAL 22 HG13 VAL 22 -12.725 -10.480 -17.877 171 HG21 VAL 22 HG21 VAL 22 -10.218 -12.083 -19.997 172 HG22 VAL 22 HG22 VAL 22 -11.959 -11.823 -20.021 173 HG23 VAL 22 HG23 VAL 22 -11.179 -12.429 -18.560 174 H CYS 23 HN CYS 23 -8.658 -8.436 -18.437 175 HA CYS 23 HA CYS 23 -10.010 -5.963 -17.944 176 HB2 CYS 23 HB2 CYS 23 -7.205 -6.953 -17.405 177 HB3 CYS 23 HB1 CYS 23 -7.706 -5.271 -17.065 178 H ASN 24 HN ASN 24 -7.429 -6.872 -20.205 179 HA ASN 24 HA ASN 24 -6.932 -4.210 -21.028 180 HB2 ASN 24 HB2 ASN 24 -6.466 -6.879 -22.388 181 HB3 ASN 24 HB1 ASN 24 -5.967 -5.334 -23.076 182 HD21 ASN 24 HD21 ASN 24 -4.106 -7.410 -22.281 183 HD22 ASN 24 HD22 ASN 24 -3.173 -6.790 -21.007 184 H GLY 25 HN GLY 25 -9.427 -6.511 -21.908 185 HA2 GLY 25 HA2 GLY 25 -10.192 -4.885 -24.191 186 HA3 GLY 25 HA1 GLY 25 -11.024 -6.339 -23.664 187 H CYS 26 HN CYS 26 -10.440 -4.325 -21.019 188 HA CYS 26 HA CYS 26 -13.249 -3.726 -20.898 189 HB2 CYS 26 HB2 CYS 26 -11.908 -4.421 -18.847 190 HB3 CYS 26 HB1 CYS 26 -11.136 -2.828 -18.932 191 H GLY 27 HN GLY 27 -10.440 -1.776 -21.862 192 HA2 GLY 27 HA2 GLY 27 -11.108 0.051 -23.160 193 HA3 GLY 27 HA1 GLY 27 -12.261 0.548 -21.955 194 H ASP 28 HN ASP 28 -11.616 2.217 -20.729 195 HA ASP 28 HA ASP 28 -8.742 2.748 -20.456 196 HB2 ASP 28 HB2 ASP 28 -11.202 4.420 -19.914 197 HB3 ASP 28 HB1 ASP 28 -9.558 4.952 -19.540 198 H GLN 29 HN GLN 29 -10.673 0.814 -18.921 199 HA GLN 29 HA GLN 29 -10.004 1.685 -16.151 200 HB2 GLN 29 HB2 GLN 29 -11.785 -0.614 -16.966 201 HB3 GLN 29 HB1 GLN 29 -11.607 0.127 -15.376 202 HG2 GLN 29 HG2 GLN 29 -13.602 1.057 -16.237 203 HG3 GLN 29 HG1 GLN 29 -12.379 2.308 -16.469 204 HE21 GLN 29 HE21 GLN 29 -13.122 3.288 -18.400 205 HE22 GLN 29 HE22 GLN 29 -13.332 2.448 -19.859 206 H VAL 30 HN VAL 30 -8.440 0.181 -18.501 207 HA VAL 30 HA VAL 30 -7.750 -2.325 -17.782 208 HB VAL 30 HB VAL 30 -5.604 -0.302 -18.420 209 HG11 VAL 30 HG11 VAL 30 -6.033 -3.225 -19.083 210 HG12 VAL 30 HG12 VAL 30 -4.804 -2.554 -18.013 211 HG13 VAL 30 HG13 VAL 30 -4.726 -2.248 -19.749 212 HG21 VAL 30 HG21 VAL 30 -7.774 -1.421 -20.189 213 HG22 VAL 30 HG22 VAL 30 -6.239 -0.851 -20.848 214 HG23 VAL 30 HG23 VAL 30 -7.293 0.262 -19.976 215 H ALA 31 HN ALA 31 -6.288 0.615 -16.316 216 HA ALA 31 HA ALA 31 -4.657 -0.931 -14.606 217 HB1 ALA 31 HB1 ALA 31 -5.386 1.979 -14.157 218 HB2 ALA 31 HB2 ALA 31 -4.158 1.424 -15.281 219 HB3 ALA 31 HB3 ALA 31 -3.996 1.050 -13.567 220 H ALA 32 HN ALA 32 -7.834 0.578 -14.118 221 HA ALA 32 HA ALA 32 -8.054 0.033 -11.368 222 HB1 ALA 32 HB1 ALA 32 -9.716 1.534 -12.297 223 HB2 ALA 32 HB2 ALA 32 -10.584 0.023 -11.996 224 HB3 ALA 32 HB3 ALA 32 -10.029 0.423 -13.620 225 H CYS 33 HN CYS 33 -8.878 -1.740 -14.263 226 HA CYS 33 HA CYS 33 -10.159 -3.925 -13.009 227 HB2 CYS 33 HB2 CYS 33 -10.429 -3.307 -15.406 228 HB3 CYS 33 HB1 CYS 33 -8.786 -3.874 -15.683 229 H GLU 34 HN GLU 34 -6.806 -3.227 -13.888 230 HA GLU 34 HA GLU 34 -5.854 -5.844 -13.247 231 HB2 GLU 34 HB2 GLU 34 -4.604 -3.228 -14.048 232 HB3 GLU 34 HB1 GLU 34 -3.586 -4.528 -13.485 233 HG2 GLU 34 HG2 GLU 34 -4.482 -5.989 -15.261 234 HG3 GLU 34 HG1 GLU 34 -5.590 -4.730 -15.769 235 H ALA 35 HN ALA 35 -6.530 -2.984 -11.409 236 HA ALA 35 HA ALA 35 -4.681 -2.747 -9.494 237 HB1 ALA 35 HB1 ALA 35 -6.990 -1.496 -9.714 238 HB2 ALA 35 HB2 ALA 35 -6.463 -1.846 -8.103 239 HB3 ALA 35 HB3 ALA 35 -7.625 -2.920 -8.864 240 H GLU 36 HN GLU 36 -7.418 -4.903 -9.198 241 HA GLU 36 HA GLU 36 -6.018 -6.191 -6.932 242 HB2 GLU 36 HB2 GLU 36 -8.953 -6.174 -7.663 243 HB3 GLU 36 HB1 GLU 36 -8.272 -7.096 -6.321 244 HG2 GLU 36 HG2 GLU 36 -7.411 -5.012 -5.320 245 HG3 GLU 36 HG1 GLU 36 -8.088 -4.085 -6.657 246 H CYS 37 HN CYS 37 -5.115 -6.922 -9.489 247 HA CYS 37 HA CYS 37 -4.786 -8.706 -10.817 248 HB2 CYS 37 HB2 CYS 37 -4.747 -9.588 -8.104 249 HB3 CYS 37 HB1 CYS 37 -5.613 -10.821 -9.002 250 H PHE 38 HN PHE 38 -7.185 -7.493 -11.240 251 HA PHE 38 HA PHE 38 -9.085 -7.816 -12.360 252 HB2 PHE 38 HB2 PHE 38 -8.869 -10.783 -12.613 253 HB3 PHE 38 HB1 PHE 38 -9.124 -9.516 -13.837 254 HD1 PHE 38 HD1 PHE 38 -6.935 -7.836 -13.927 255 HD2 PHE 38 HD2 PHE 38 -6.886 -11.991 -12.816 256 HE1 PHE 38 HE1 PHE 38 -4.533 -7.993 -14.516 257 HE2 PHE 38 HE2 PHE 38 -4.481 -12.116 -13.431 258 HZ PHE 38 HZ PHE 38 -3.304 -10.109 -14.274 259 H ARG 39 HN ARG 39 -8.622 -8.671 -9.352 260 HA ARG 39 HA ARG 39 -11.236 -9.964 -8.883 261 HB2 ARG 39 HB2 ARG 39 -9.052 -10.689 -7.709 262 HB3 ARG 39 HB1 ARG 39 -9.183 -9.178 -6.812 263 HG2 ARG 39 HG2 ARG 39 -11.442 -9.830 -6.044 264 HG3 ARG 39 HG1 ARG 39 -11.270 -11.358 -6.909 265 HD2 ARG 39 HD2 ARG 39 -9.201 -11.813 -5.556 266 HD3 ARG 39 HD1 ARG 39 -9.574 -10.381 -4.600 267 HE ARG 39 HE ARG 39 -11.767 -12.250 -4.776 268 HH11 ARG 39 HH11 ARG 39 -12.332 -13.286 -2.850 269 HH12 ARG 39 HH12 ARG 39 -11.251 -13.247 -1.498 270 HH21 ARG 39 HH21 ARG 39 -8.848 -11.361 -3.144 271 HH22 ARG 39 HH22 ARG 39 -9.274 -12.154 -1.665 272 H ASN 40 HN ASN 40 -12.272 -8.067 -9.714 273 HA ASN 40 HA ASN 40 -13.017 -6.274 -7.538 274 HB2 ASN 40 HB2 ASN 40 -12.442 -4.211 -8.874 275 HB3 ASN 40 HB1 ASN 40 -11.064 -5.152 -8.309 276 HD21 ASN 40 HD21 ASN 40 -9.637 -4.484 -10.011 277 HD22 ASN 40 HD22 ASN 40 -9.873 -4.964 -11.621 278 H ASP 41 HN ASP 41 -14.768 -4.713 -8.296 279 HA ASP 41 HA ASP 41 -16.667 -6.244 -9.666 280 HB2 ASP 41 HB2 ASP 41 -17.388 -4.646 -7.935 281 HB3 ASP 41 HB1 ASP 41 -16.632 -3.330 -8.818 282 H VAL 42 HN VAL 42 -14.494 -3.695 -10.718 283 HA VAL 42 HA VAL 42 -15.736 -3.168 -13.216 284 HB VAL 42 HB VAL 42 -12.858 -2.967 -12.257 285 HG11 VAL 42 HG11 VAL 42 -14.046 -2.302 -14.960 286 HG12 VAL 42 HG12 VAL 42 -12.664 -3.344 -14.616 287 HG13 VAL 42 HG13 VAL 42 -12.538 -1.611 -14.383 288 HG21 VAL 42 HG21 VAL 42 -13.353 -0.507 -12.566 289 HG22 VAL 42 HG22 VAL 42 -14.289 -1.298 -11.288 290 HG23 VAL 42 HG23 VAL 42 -15.039 -0.958 -12.849 291 H TYR 43 HN TYR 43 -13.304 -5.547 -12.263 292 HA TYR 43 HA TYR 43 -12.876 -6.731 -14.755 293 HB2 TYR 43 HB2 TYR 43 -11.502 -7.416 -12.899 294 HB3 TYR 43 HB1 TYR 43 -12.913 -7.882 -11.954 295 HD1 TYR 43 HD1 TYR 43 -13.817 -10.069 -12.104 296 HD2 TYR 43 HD2 TYR 43 -11.008 -8.718 -15.065 297 HE1 TYR 43 HE1 TYR 43 -13.699 -12.363 -13.040 298 HE2 TYR 43 HE2 TYR 43 -10.893 -11.017 -15.994 299 HH TYR 43 HH TYR 43 -13.100 -13.322 -15.461 300 H THR 44 HN THR 44 -15.318 -7.543 -12.254 301 HA THR 44 HA THR 44 -16.566 -9.578 -13.702 302 HB THR 44 HB THR 44 -17.725 -7.683 -11.657 303 HG1 THR 44 HG1 THR 44 -17.035 -10.397 -11.389 304 HG21 THR 44 HG21 THR 44 -19.390 -9.644 -11.453 305 HG22 THR 44 HG22 THR 44 -18.850 -10.099 -13.069 306 HG23 THR 44 HG23 THR 44 -19.606 -8.528 -12.799 307 H ALA 45 HN ALA 45 -17.364 -6.141 -13.601 308 HA ALA 45 HA ALA 45 -19.545 -6.015 -15.336 309 HB1 ALA 45 HB1 ALA 45 -19.028 -3.618 -15.172 310 HB2 ALA 45 HB2 ALA 45 -17.342 -3.999 -15.021 311 HB3 ALA 45 HB3 ALA 45 -18.461 -4.407 -13.719 312 H CYS 46 HN CYS 46 -16.035 -5.659 -15.977 313 HA CYS 46 HA CYS 46 -16.343 -5.238 -18.775 314 HB2 CYS 46 HB2 CYS 46 -13.881 -6.197 -17.271 315 HB3 CYS 46 HB1 CYS 46 -13.942 -5.445 -18.882 316 H HIS 47 HN HIS 47 -15.663 -8.079 -16.774 317 HA HIS 47 HA HIS 47 -15.317 -9.852 -18.940 318 HB2 HIS 47 HB2 HIS 47 -14.610 -10.288 -16.561 319 HB3 HIS 47 HB1 HIS 47 -16.308 -10.532 -16.160 320 HD1 HIS 47 HD1 HIS 47 -14.906 -11.691 -19.442 321 HD2 HIS 47 HD2 HIS 47 -15.994 -13.335 -15.770 322 HE1 HIS 47 HE1 HIS 47 -14.907 -14.203 -19.756 323 H GLU 48 HN GLU 48 -18.182 -8.980 -17.010 324 HA GLU 48 HA GLU 48 -19.931 -10.812 -18.261 325 HB2 GLU 48 HB2 GLU 48 -20.075 -8.977 -16.139 326 HB3 GLU 48 HB1 GLU 48 -21.270 -8.398 -17.279 327 HG2 GLU 48 HG2 GLU 48 -21.029 -11.215 -16.191 328 HG3 GLU 48 HG1 GLU 48 -22.255 -10.033 -15.731 329 H ALA 49 HN ALA 49 -18.824 -7.625 -19.081 330 HA ALA 49 HA ALA 49 -20.861 -7.069 -20.970 331 HB1 ALA 49 HB1 ALA 49 -18.114 -5.815 -20.859 332 HB2 ALA 49 HB2 ALA 49 -19.444 -5.355 -19.798 333 HB3 ALA 49 HB3 ALA 49 -19.587 -5.125 -21.540 334 H GLN 50 HN GLN 50 -17.888 -8.882 -21.048 335 HA GLN 50 HA GLN 50 -17.802 -8.802 -23.981 336 HB2 GLN 50 HB2 GLN 50 -15.929 -10.034 -21.919 337 HB3 GLN 50 HB1 GLN 50 -15.682 -10.138 -23.665 338 HG2 GLN 50 HG2 GLN 50 -15.932 -7.531 -22.139 339 HG3 GLN 50 HG1 GLN 50 -14.393 -8.272 -22.578 340 HE21 GLN 50 HE21 GLN 50 -16.286 -5.831 -23.578 341 HE22 GLN 50 HE22 GLN 50 -16.059 -5.921 -25.257 342 H LYS 51 HN LYS 51 -18.340 -10.440 -25.256 343 HA LYS 51 HA LYS 51 -20.009 -12.519 -24.160 344 HB2 LYS 51 HB2 LYS 51 -19.022 -11.938 -26.962 345 HB3 LYS 51 HB1 LYS 51 -20.132 -13.251 -26.568 346 HG2 LYS 51 HG2 LYS 51 -21.736 -11.633 -25.643 347 HG3 LYS 51 HG1 LYS 51 -20.624 -10.312 -26.000 348 HD2 LYS 51 HD2 LYS 51 -20.750 -10.832 -28.400 349 HD3 LYS 51 HD1 LYS 51 -21.829 -12.186 -28.060 350 HE2 LYS 51 HE2 LYS 51 -23.168 -10.267 -28.737 351 HE3 LYS 51 HE1 LYS 51 -23.440 -10.575 -27.021 352 HZ1 LYS 51 HZ1 LYS 51 -21.816 -8.865 -26.495 353 HZ2 LYS 51 HZ2 LYS 51 -23.076 -8.229 -27.440 354 HZ3 LYS 51 HZ3 LYS 51 -21.567 -8.563 -28.145 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 7.154 -5.836 -1.408 2 HA SER 1 HA SER 1 4.897 -7.743 -1.666 3 HB2 SER 1 HB2 SER 1 4.810 -4.776 -1.047 4 HB3 SER 1 HB1 SER 1 3.421 -5.832 -1.286 5 HG SER 1 HG SER 1 5.355 -5.887 0.785 6 H GLU 2 HN GLU 2 6.436 -7.918 -3.681 7 HA GLU 2 HA GLU 2 6.757 -5.932 -5.551 8 HB2 GLU 2 HB2 GLU 2 6.585 -8.869 -5.612 9 HB3 GLU 2 HB1 GLU 2 6.238 -8.113 -7.148 10 HG2 GLU 2 HG2 GLU 2 8.660 -8.674 -6.808 11 HG3 GLU 2 HG1 GLU 2 8.375 -6.961 -7.112 12 HA PRO 3 HA PRO 3 2.762 -4.933 -7.107 13 HB2 PRO 3 HB2 PRO 3 3.242 -4.269 -9.666 14 HB3 PRO 3 HB1 PRO 3 3.933 -3.352 -8.277 15 HG2 PRO 3 HG2 PRO 3 5.257 -5.370 -10.037 16 HG3 PRO 3 HG1 PRO 3 5.864 -3.813 -9.446 17 HD2 PRO 3 HD2 PRO 3 6.479 -6.229 -8.269 18 HD3 PRO 3 HD1 PRO 3 6.493 -4.680 -7.404 19 H ASP 4 HN ASP 4 3.615 -6.041 -10.198 20 HA ASP 4 HA ASP 4 1.457 -8.072 -10.196 21 HB2 ASP 4 HB2 ASP 4 1.157 -7.488 -12.392 22 HB3 ASP 4 HB1 ASP 4 2.226 -6.138 -12.022 23 H GLU 5 HN GLU 5 4.208 -8.426 -8.977 24 HA GLU 5 HA GLU 5 5.095 -10.784 -10.572 25 HB2 GLU 5 HB2 GLU 5 6.604 -8.766 -9.406 26 HB3 GLU 5 HB1 GLU 5 6.678 -10.047 -8.197 27 HG2 GLU 5 HG2 GLU 5 7.454 -11.639 -9.862 28 HG3 GLU 5 HG1 GLU 5 7.308 -10.425 -11.133 29 H ILE 6 HN ILE 6 4.381 -9.824 -7.216 30 HA ILE 6 HA ILE 6 4.396 -12.453 -6.208 31 HB ILE 6 HB ILE 6 3.223 -9.853 -5.271 32 HG12 ILE 6 HG12 ILE 6 5.707 -10.791 -5.033 33 HG13 ILE 6 HG11 ILE 6 4.959 -9.901 -3.710 34 HG21 ILE 6 HG21 ILE 6 1.506 -11.277 -4.493 35 HG22 ILE 6 HG22 ILE 6 2.614 -11.171 -3.125 36 HG23 ILE 6 HG23 ILE 6 2.630 -12.595 -4.161 37 HD11 ILE 6 HD11 ILE 6 4.743 -12.904 -3.929 38 HD12 ILE 6 HD12 ILE 6 4.504 -11.891 -2.505 39 HD13 ILE 6 HD13 ILE 6 6.128 -12.138 -3.149 40 H CYS 7 HN CYS 7 1.831 -10.473 -7.529 41 HA CYS 7 HA CYS 7 -0.325 -12.155 -6.922 42 HB2 CYS 7 HB2 CYS 7 -0.099 -9.741 -8.210 43 HB3 CYS 7 HB1 CYS 7 -0.517 -10.801 -9.552 44 H ARG 8 HN ARG 8 1.770 -12.147 -9.686 45 HA ARG 8 HA ARG 8 0.494 -14.224 -11.134 46 HB2 ARG 8 HB2 ARG 8 3.313 -13.171 -11.196 47 HB3 ARG 8 HB1 ARG 8 2.777 -14.487 -12.240 48 HG2 ARG 8 HG2 ARG 8 1.067 -13.093 -13.226 49 HG3 ARG 8 HG1 ARG 8 1.412 -11.784 -12.094 50 HD2 ARG 8 HD2 ARG 8 2.482 -11.375 -14.283 51 HD3 ARG 8 HD1 ARG 8 3.681 -11.577 -13.013 52 HE ARG 8 HE ARG 8 4.320 -13.626 -13.968 53 HH11 ARG 8 HH11 ARG 8 4.405 -15.029 -15.745 54 HH12 ARG 8 HH12 ARG 8 3.225 -14.896 -17.006 55 HH21 ARG 8 HH21 ARG 8 1.545 -12.259 -15.516 56 HH22 ARG 8 HH22 ARG 8 1.609 -13.329 -16.876 57 H ALA 9 HN ALA 9 2.966 -14.263 -8.654 58 HA ALA 9 HA ALA 9 3.765 -16.907 -8.917 59 HB1 ALA 9 HB1 ALA 9 4.810 -16.565 -6.717 60 HB2 ALA 9 HB2 ALA 9 3.618 -15.473 -6.268 61 HB3 ALA 9 HB3 ALA 9 4.864 -15.085 -7.535 62 H ARG 10 HN ARG 10 0.748 -15.682 -7.863 63 HA ARG 10 HA ARG 10 0.175 -18.040 -6.219 64 HB2 ARG 10 HB2 ARG 10 -1.645 -15.672 -6.627 65 HB3 ARG 10 HB1 ARG 10 -1.572 -16.776 -5.253 66 HG2 ARG 10 HG2 ARG 10 0.803 -15.886 -4.863 67 HG3 ARG 10 HG1 ARG 10 0.386 -14.629 -6.019 68 HD2 ARG 10 HD2 ARG 10 -1.207 -15.216 -3.524 69 HD3 ARG 10 HD1 ARG 10 -0.002 -13.939 -3.651 70 HE ARG 10 HE ARG 10 -1.806 -13.581 -5.758 71 HH11 ARG 10 HH11 ARG 10 -3.504 -12.084 -5.553 72 HH12 ARG 10 HH12 ARG 10 -4.040 -11.600 -3.979 73 HH21 ARG 10 HH21 ARG 10 -1.756 -13.594 -2.297 74 HH22 ARG 10 HH22 ARG 10 -3.049 -12.453 -2.135 75 H MET 11 HN MET 11 -0.281 -16.803 -9.380 76 HA MET 11 HA MET 11 -2.510 -18.674 -9.811 77 HB2 MET 11 HB2 MET 11 -3.249 -17.111 -11.668 78 HB3 MET 11 HB1 MET 11 -3.441 -16.521 -10.020 79 HG2 MET 11 HG2 MET 11 -1.409 -15.218 -10.203 80 HG3 MET 11 HG1 MET 11 -1.056 -15.905 -11.783 81 HE1 MET 11 HE1 MET 11 -4.792 -14.588 -10.539 82 HE2 MET 11 HE2 MET 11 -4.218 -12.923 -10.514 83 HE3 MET 11 HE3 MET 11 -3.384 -14.149 -9.563 84 H THR 12 HN THR 12 -2.596 -19.600 -11.957 85 HA THR 12 HA THR 12 0.010 -20.330 -12.981 86 HB THR 12 HB THR 12 -1.278 -21.595 -14.679 87 HG1 THR 12 HG1 THR 12 -3.111 -19.819 -14.086 88 HG21 THR 12 HG21 THR 12 -2.474 -23.061 -13.030 89 HG22 THR 12 HG22 THR 12 -2.183 -21.829 -11.801 90 HG23 THR 12 HG23 THR 12 -0.822 -22.659 -12.556 91 H HIS 13 HN HIS 13 0.604 -20.065 -15.285 92 HA HIS 13 HA HIS 13 0.491 -17.327 -16.116 93 HB2 HIS 13 HB2 HIS 13 1.403 -19.849 -17.527 94 HB3 HIS 13 HB1 HIS 13 1.579 -18.230 -18.206 95 HD1 HIS 13 HD1 HIS 13 2.958 -16.497 -16.589 96 HD2 HIS 13 HD2 HIS 13 3.481 -20.566 -15.847 97 HE1 HIS 13 HE1 HIS 13 5.070 -16.708 -15.208 98 H LYS 14 HN LYS 14 -1.193 -20.252 -17.264 99 HA LYS 14 HA LYS 14 -2.468 -19.046 -19.429 100 HB2 LYS 14 HB2 LYS 14 -4.063 -20.905 -19.264 101 HB3 LYS 14 HB1 LYS 14 -2.435 -21.510 -18.951 102 HG2 LYS 14 HG2 LYS 14 -2.894 -21.184 -16.478 103 HG3 LYS 14 HG1 LYS 14 -4.574 -20.865 -16.908 104 HD2 LYS 14 HD2 LYS 14 -4.757 -23.065 -17.960 105 HD3 LYS 14 HD1 LYS 14 -3.065 -23.398 -17.586 106 HE2 LYS 14 HE2 LYS 14 -4.595 -24.426 -15.921 107 HE3 LYS 14 HE1 LYS 14 -3.533 -23.226 -15.184 108 HZ1 LYS 14 HZ1 LYS 14 -5.238 -21.853 -14.758 109 HZ2 LYS 14 HZ2 LYS 14 -6.183 -23.260 -14.884 110 HZ3 LYS 14 HZ3 LYS 14 -6.043 -22.205 -16.209 111 H GLU 15 HN GLU 15 -3.432 -19.227 -16.030 112 HA GLU 15 HA GLU 15 -5.980 -18.016 -16.399 113 HB2 GLU 15 HB2 GLU 15 -5.325 -19.371 -14.411 114 HB3 GLU 15 HB1 GLU 15 -4.274 -18.050 -13.903 115 HG2 GLU 15 HG2 GLU 15 -6.200 -16.530 -13.804 116 HG3 GLU 15 HG1 GLU 15 -7.263 -17.824 -14.354 117 H PHE 16 HN PHE 16 -2.831 -16.762 -15.400 118 HA PHE 16 HA PHE 16 -3.602 -14.086 -14.927 119 HB2 PHE 16 HB2 PHE 16 -1.417 -14.862 -14.206 120 HB3 PHE 16 HB1 PHE 16 -0.957 -15.205 -15.884 121 HD1 PHE 16 HD1 PHE 16 -1.491 -12.569 -13.375 122 HD2 PHE 16 HD2 PHE 16 -0.530 -13.399 -17.475 123 HE1 PHE 16 HE1 PHE 16 -0.702 -10.242 -13.656 124 HE2 PHE 16 HE2 PHE 16 0.267 -11.068 -17.758 125 HZ PHE 16 HZ PHE 16 0.181 -9.489 -15.846 126 H ASN 17 HN ASN 17 -2.405 -15.634 -17.929 127 HA ASN 17 HA ASN 17 -2.494 -13.278 -19.506 128 HB2 ASN 17 HB2 ASN 17 -1.239 -15.046 -20.418 129 HB3 ASN 17 HB1 ASN 17 -2.490 -16.235 -20.112 130 HD21 ASN 17 HD21 ASN 17 -2.710 -16.893 -22.333 131 HD22 ASN 17 HD22 ASN 17 -3.331 -15.861 -23.528 132 H TYR 18 HN TYR 18 -4.921 -15.787 -18.864 133 HA TYR 18 HA TYR 18 -6.816 -14.922 -20.712 134 HB2 TYR 18 HB2 TYR 18 -7.019 -17.059 -19.702 135 HB3 TYR 18 HB1 TYR 18 -7.139 -16.354 -18.076 136 HD1 TYR 18 HD1 TYR 18 -9.148 -15.020 -17.466 137 HD2 TYR 18 HD2 TYR 18 -8.904 -17.146 -21.181 138 HE1 TYR 18 HE1 TYR 18 -11.599 -14.792 -17.745 139 HE2 TYR 18 HE2 TYR 18 -11.360 -16.924 -21.467 140 HH TYR 18 HH TYR 18 -13.185 -15.605 -20.716 141 H LYS 19 HN LYS 19 -6.573 -14.220 -17.272 142 HA LYS 19 HA LYS 19 -8.753 -12.430 -17.149 143 HB2 LYS 19 HB2 LYS 19 -6.321 -12.537 -15.348 144 HB3 LYS 19 HB1 LYS 19 -7.879 -11.796 -14.987 145 HG2 LYS 19 HG2 LYS 19 -7.688 -14.719 -15.696 146 HG3 LYS 19 HG1 LYS 19 -7.434 -14.170 -14.043 147 HD2 LYS 19 HD2 LYS 19 -9.661 -13.049 -14.110 148 HD3 LYS 19 HD1 LYS 19 -9.924 -13.721 -15.715 149 HE2 LYS 19 HE2 LYS 19 -9.344 -15.392 -13.263 150 HE3 LYS 19 HE1 LYS 19 -10.963 -15.082 -13.891 151 HZ1 LYS 19 HZ1 LYS 19 -8.752 -16.361 -15.404 152 HZ2 LYS 19 HZ2 LYS 19 -10.328 -16.088 -15.979 153 HZ3 LYS 19 HZ3 LYS 19 -10.061 -17.180 -14.703 154 H SER 20 HN SER 20 -5.317 -11.956 -17.702 155 HA SER 20 HA SER 20 -5.337 -9.144 -17.570 156 HB2 SER 20 HB2 SER 20 -3.237 -10.482 -17.597 157 HB3 SER 20 HB1 SER 20 -3.570 -10.941 -19.264 158 HG SER 20 HG SER 20 -3.193 -8.913 -19.913 159 H ASN 21 HN ASN 21 -5.923 -11.290 -20.257 160 HA ASN 21 HA ASN 21 -6.279 -9.305 -22.268 161 HB2 ASN 21 HB2 ASN 21 -5.962 -11.714 -22.766 162 HB3 ASN 21 HB1 ASN 21 -7.542 -12.047 -22.043 163 HD21 ASN 21 HD21 ASN 21 -7.371 -12.776 -24.673 164 HD22 ASN 21 HD22 ASN 21 -8.166 -11.660 -25.675 165 H VAL 22 HN VAL 22 -8.446 -10.688 -19.869 166 HA VAL 22 HA VAL 22 -10.859 -9.600 -20.896 167 HB VAL 22 HB VAL 22 -10.076 -10.364 -18.091 168 HG11 VAL 22 HG11 VAL 22 -12.628 -10.473 -17.838 169 HG12 VAL 22 HG12 VAL 22 -12.701 -9.472 -19.288 170 HG13 VAL 22 HG13 VAL 22 -11.903 -8.867 -17.836 171 HG21 VAL 22 HG21 VAL 22 -10.159 -12.103 -19.981 172 HG22 VAL 22 HG22 VAL 22 -11.892 -11.792 -20.039 173 HG23 VAL 22 HG23 VAL 22 -11.160 -12.434 -18.569 174 H CYS 23 HN CYS 23 -8.579 -8.419 -18.424 175 HA CYS 23 HA CYS 23 -9.954 -5.965 -17.912 176 HB2 CYS 23 HB2 CYS 23 -7.134 -6.927 -17.428 177 HB3 CYS 23 HB1 CYS 23 -7.673 -5.266 -17.033 178 H ASN 24 HN ASN 24 -7.293 -6.807 -20.140 179 HA ASN 24 HA ASN 24 -6.808 -4.141 -20.971 180 HB2 ASN 24 HB2 ASN 24 -6.465 -6.688 -22.571 181 HB3 ASN 24 HB1 ASN 24 -5.626 -5.158 -22.824 182 HD21 ASN 24 HD21 ASN 24 -5.258 -4.689 -19.887 183 HD22 ASN 24 HD22 ASN 24 -4.053 -5.781 -19.399 184 H GLY 25 HN GLY 25 -9.298 -6.457 -21.853 185 HA2 GLY 25 HA2 GLY 25 -10.063 -4.838 -24.137 186 HA3 GLY 25 HA1 GLY 25 -10.886 -6.309 -23.642 187 H CYS 26 HN CYS 26 -10.377 -4.358 -20.952 188 HA CYS 26 HA CYS 26 -13.170 -3.791 -20.806 189 HB2 CYS 26 HB2 CYS 26 -11.755 -4.429 -18.802 190 HB3 CYS 26 HB1 CYS 26 -10.976 -2.844 -18.956 191 H GLY 27 HN GLY 27 -10.336 -1.779 -21.612 192 HA2 GLY 27 HA2 GLY 27 -10.993 -0.053 -23.083 193 HA3 GLY 27 HA1 GLY 27 -12.198 0.482 -21.926 194 H ASP 28 HN ASP 28 -11.575 2.160 -20.664 195 HA ASP 28 HA ASP 28 -8.706 2.742 -20.403 196 HB2 ASP 28 HB2 ASP 28 -9.538 4.958 -19.577 197 HB3 ASP 28 HB1 ASP 28 -10.105 4.567 -21.200 198 H GLN 29 HN GLN 29 -10.635 0.798 -18.853 199 HA GLN 29 HA GLN 29 -9.977 1.701 -16.086 200 HB2 GLN 29 HB2 GLN 29 -11.738 -0.607 -16.896 201 HB3 GLN 29 HB1 GLN 29 -11.564 0.130 -15.305 202 HG2 GLN 29 HG2 GLN 29 -12.676 1.507 -17.760 203 HG3 GLN 29 HG1 GLN 29 -13.617 0.928 -16.380 204 HE21 GLN 29 HE21 GLN 29 -12.671 3.769 -17.577 205 HE22 GLN 29 HE22 GLN 29 -12.295 4.618 -16.155 206 H VAL 30 HN VAL 30 -8.392 0.199 -18.406 207 HA VAL 30 HA VAL 30 -7.684 -2.309 -17.711 208 HB VAL 30 HB VAL 30 -5.553 -0.258 -18.294 209 HG11 VAL 30 HG11 VAL 30 -5.942 -3.165 -19.032 210 HG12 VAL 30 HG12 VAL 30 -4.744 -2.509 -17.918 211 HG13 VAL 30 HG13 VAL 30 -4.637 -2.146 -19.640 212 HG21 VAL 30 HG21 VAL 30 -7.234 0.315 -19.844 213 HG22 VAL 30 HG22 VAL 30 -7.687 -1.370 -20.104 214 HG23 VAL 30 HG23 VAL 30 -6.152 -0.761 -20.725 215 H ALA 31 HN ALA 31 -6.249 0.624 -16.226 216 HA ALA 31 HA ALA 31 -4.608 -0.889 -14.511 217 HB1 ALA 31 HB1 ALA 31 -3.942 1.108 -13.529 218 HB2 ALA 31 HB2 ALA 31 -5.383 2.019 -14.043 219 HB3 ALA 31 HB3 ALA 31 -4.208 1.516 -15.219 220 H ALA 32 HN ALA 32 -7.810 0.580 -14.051 221 HA ALA 32 HA ALA 32 -8.014 0.027 -11.309 222 HB1 ALA 32 HB1 ALA 32 -10.525 0.064 -11.907 223 HB2 ALA 32 HB2 ALA 32 -9.995 0.392 -13.560 224 HB3 ALA 32 HB3 ALA 32 -9.652 1.551 -12.303 225 H CYS 33 HN CYS 33 -8.818 -1.765 -14.206 226 HA CYS 33 HA CYS 33 -10.064 -3.968 -12.938 227 HB2 CYS 33 HB2 CYS 33 -10.336 -3.422 -15.349 228 HB3 CYS 33 HB1 CYS 33 -8.692 -3.980 -15.601 229 H GLU 34 HN GLU 34 -6.734 -3.236 -13.791 230 HA GLU 34 HA GLU 34 -5.776 -5.843 -13.134 231 HB2 GLU 34 HB2 GLU 34 -4.504 -3.226 -13.907 232 HB3 GLU 34 HB1 GLU 34 -3.508 -4.524 -13.301 233 HG2 GLU 34 HG2 GLU 34 -4.277 -5.987 -15.075 234 HG3 GLU 34 HG1 GLU 34 -5.454 -4.806 -15.614 235 H ALA 35 HN ALA 35 -6.516 -2.966 -11.333 236 HA ALA 35 HA ALA 35 -4.668 -2.715 -9.408 237 HB1 ALA 35 HB1 ALA 35 -7.654 -2.829 -9.104 238 HB2 ALA 35 HB2 ALA 35 -6.766 -1.330 -9.440 239 HB3 ALA 35 HB3 ALA 35 -6.601 -2.133 -7.904 240 H GLU 36 HN GLU 36 -7.465 -4.845 -9.029 241 HA GLU 36 HA GLU 36 -6.004 -6.137 -6.818 242 HB2 GLU 36 HB2 GLU 36 -8.936 -6.189 -7.519 243 HB3 GLU 36 HB1 GLU 36 -8.208 -7.063 -6.171 244 HG2 GLU 36 HG2 GLU 36 -7.375 -4.932 -5.242 245 HG3 GLU 36 HG1 GLU 36 -8.128 -4.062 -6.576 246 H CYS 37 HN CYS 37 -5.100 -6.867 -9.394 247 HA CYS 37 HA CYS 37 -4.783 -8.648 -10.743 248 HB2 CYS 37 HB2 CYS 37 -4.757 -9.585 -8.029 249 HB3 CYS 37 HB1 CYS 37 -5.577 -10.809 -8.982 250 H PHE 38 HN PHE 38 -7.192 -7.437 -11.130 251 HA PHE 38 HA PHE 38 -9.088 -7.784 -12.271 252 HB2 PHE 38 HB2 PHE 38 -8.851 -10.763 -12.510 253 HB3 PHE 38 HB1 PHE 38 -9.120 -9.494 -13.739 254 HD1 PHE 38 HD1 PHE 38 -6.945 -7.793 -13.791 255 HD2 PHE 38 HD2 PHE 38 -6.885 -11.953 -12.748 256 HE1 PHE 38 HE1 PHE 38 -4.552 -7.930 -14.368 257 HE2 PHE 38 HE2 PHE 38 -4.486 -12.062 -13.333 258 HZ PHE 38 HZ PHE 38 -3.320 -10.040 -14.147 259 H ARG 39 HN ARG 39 -8.671 -8.502 -9.258 260 HA ARG 39 HA ARG 39 -11.246 -9.859 -8.816 261 HB2 ARG 39 HB2 ARG 39 -9.071 -10.579 -7.598 262 HB3 ARG 39 HB1 ARG 39 -9.214 -9.059 -6.720 263 HG2 ARG 39 HG2 ARG 39 -11.441 -9.675 -5.944 264 HG3 ARG 39 HG1 ARG 39 -11.347 -11.193 -6.838 265 HD2 ARG 39 HD2 ARG 39 -9.287 -11.758 -5.504 266 HD3 ARG 39 HD1 ARG 39 -9.590 -10.323 -4.529 267 HE ARG 39 HE ARG 39 -11.938 -11.880 -4.584 268 HH11 ARG 39 HH11 ARG 39 -12.423 -13.192 -2.796 269 HH12 ARG 39 HH12 ARG 39 -11.165 -13.648 -1.696 270 HH21 ARG 39 HH21 ARG 39 -8.683 -11.937 -3.410 271 HH22 ARG 39 HH22 ARG 39 -9.047 -12.937 -2.044 272 H ASN 40 HN ASN 40 -12.302 -7.978 -9.663 273 HA ASN 40 HA ASN 40 -13.121 -6.226 -7.487 274 HB2 ASN 40 HB2 ASN 40 -12.512 -4.124 -8.516 275 HB3 ASN 40 HB1 ASN 40 -11.073 -5.160 -8.411 276 HD21 ASN 40 HD21 ASN 40 -11.047 -3.103 -10.265 277 HD22 ASN 40 HD22 ASN 40 -11.230 -3.727 -11.826 278 H ASP 41 HN ASP 41 -14.874 -4.648 -8.271 279 HA ASP 41 HA ASP 41 -16.755 -6.198 -9.636 280 HB2 ASP 41 HB2 ASP 41 -16.850 -3.203 -9.035 281 HB3 ASP 41 HB1 ASP 41 -18.254 -4.225 -9.332 282 H VAL 42 HN VAL 42 -14.553 -3.669 -10.704 283 HA VAL 42 HA VAL 42 -15.802 -3.166 -13.198 284 HB VAL 42 HB VAL 42 -12.946 -2.930 -12.220 285 HG11 VAL 42 HG11 VAL 42 -12.660 -1.526 -14.322 286 HG12 VAL 42 HG12 VAL 42 -14.105 -2.328 -14.923 287 HG13 VAL 42 HG13 VAL 42 -12.666 -3.269 -14.525 288 HG21 VAL 42 HG21 VAL 42 -15.132 -0.927 -12.806 289 HG22 VAL 42 HG22 VAL 42 -13.451 -0.476 -12.485 290 HG23 VAL 42 HG23 VAL 42 -14.411 -1.292 -11.235 291 H TYR 43 HN TYR 43 -13.358 -5.523 -12.201 292 HA TYR 43 HA TYR 43 -12.867 -6.682 -14.678 293 HB2 TYR 43 HB2 TYR 43 -11.529 -7.367 -12.776 294 HB3 TYR 43 HB1 TYR 43 -12.961 -7.876 -11.886 295 HD1 TYR 43 HD1 TYR 43 -11.033 -8.582 -15.013 296 HD2 TYR 43 HD2 TYR 43 -13.712 -10.094 -12.017 297 HE1 TYR 43 HE1 TYR 43 -10.844 -10.855 -15.979 298 HE2 TYR 43 HE2 TYR 43 -13.521 -12.365 -12.988 299 HH TYR 43 HH TYR 43 -12.889 -13.481 -14.927 300 H THR 44 HN THR 44 -15.325 -7.505 -12.240 301 HA THR 44 HA THR 44 -16.558 -9.528 -13.701 302 HB THR 44 HB THR 44 -17.747 -7.630 -11.675 303 HG1 THR 44 HG1 THR 44 -16.689 -8.909 -10.429 304 HG21 THR 44 HG21 THR 44 -19.621 -8.454 -12.904 305 HG22 THR 44 HG22 THR 44 -19.490 -9.515 -11.503 306 HG23 THR 44 HG23 THR 44 -18.901 -10.054 -13.075 307 H ALA 45 HN ALA 45 -17.363 -6.077 -13.603 308 HA ALA 45 HA ALA 45 -19.525 -5.963 -15.359 309 HB1 ALA 45 HB1 ALA 45 -17.254 -4.077 -14.800 310 HB2 ALA 45 HB2 ALA 45 -18.792 -4.080 -13.931 311 HB3 ALA 45 HB3 ALA 45 -18.728 -3.486 -15.535 312 H CYS 46 HN CYS 46 -16.003 -5.656 -15.947 313 HA CYS 46 HA CYS 46 -16.276 -5.289 -18.754 314 HB2 CYS 46 HB2 CYS 46 -13.799 -6.230 -17.252 315 HB3 CYS 46 HB1 CYS 46 -13.859 -5.485 -18.868 316 H HIS 47 HN HIS 47 -15.583 -8.113 -16.739 317 HA HIS 47 HA HIS 47 -15.172 -9.895 -18.872 318 HB2 HIS 47 HB2 HIS 47 -14.488 -10.290 -16.479 319 HB3 HIS 47 HB1 HIS 47 -16.184 -10.554 -16.090 320 HD1 HIS 47 HD1 HIS 47 -16.487 -13.014 -15.834 321 HD2 HIS 47 HD2 HIS 47 -14.088 -12.094 -19.116 322 HE1 HIS 47 HE1 HIS 47 -15.993 -15.209 -16.997 323 H GLU 48 HN GLU 48 -18.048 -9.079 -16.979 324 HA GLU 48 HA GLU 48 -19.768 -10.962 -18.240 325 HB2 GLU 48 HB2 GLU 48 -20.457 -8.402 -16.789 326 HB3 GLU 48 HB1 GLU 48 -21.567 -9.683 -17.202 327 HG2 GLU 48 HG2 GLU 48 -19.099 -10.376 -15.621 328 HG3 GLU 48 HG1 GLU 48 -20.493 -9.684 -14.798 329 H ALA 49 HN ALA 49 -18.677 -7.764 -19.041 330 HA ALA 49 HA ALA 49 -20.748 -7.202 -20.906 331 HB1 ALA 49 HB1 ALA 49 -18.012 -5.944 -20.586 332 HB2 ALA 49 HB2 ALA 49 -19.502 -5.410 -19.808 333 HB3 ALA 49 HB3 ALA 49 -19.331 -5.290 -21.558 334 H GLN 50 HN GLN 50 -17.768 -8.996 -21.001 335 HA GLN 50 HA GLN 50 -17.662 -8.888 -23.931 336 HB2 GLN 50 HB2 GLN 50 -15.811 -10.073 -21.830 337 HB3 GLN 50 HB1 GLN 50 -15.542 -10.253 -23.566 338 HG2 GLN 50 HG2 GLN 50 -15.442 -7.809 -23.807 339 HG3 GLN 50 HG1 GLN 50 -15.745 -7.621 -22.080 340 HE21 GLN 50 HE21 GLN 50 -13.470 -6.449 -22.551 341 HE22 GLN 50 HE22 GLN 50 -12.110 -7.425 -22.271 342 H LYS 51 HN LYS 51 -18.160 -10.534 -25.226 343 HA LYS 51 HA LYS 51 -19.970 -12.508 -24.376 344 HB2 LYS 51 HB2 LYS 51 -19.750 -11.719 -26.725 345 HB3 LYS 51 HB1 LYS 51 -18.205 -12.561 -26.838 346 HG2 LYS 51 HG2 LYS 51 -19.306 -14.701 -26.379 347 HG3 LYS 51 HG1 LYS 51 -20.856 -13.882 -26.183 348 HD2 LYS 51 HD2 LYS 51 -20.729 -13.096 -28.525 349 HD3 LYS 51 HD1 LYS 51 -19.193 -13.940 -28.720 350 HE2 LYS 51 HE2 LYS 51 -20.297 -16.086 -28.227 351 HE3 LYS 51 HE1 LYS 51 -21.834 -15.250 -28.009 352 HZ1 LYS 51 HZ1 LYS 51 -21.579 -14.423 -30.322 353 HZ2 LYS 51 HZ2 LYS 51 -21.774 -16.108 -30.207 354 HZ3 LYS 51 HZ3 LYS 51 -20.237 -15.445 -30.500 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 7.895 -5.170 -1.972 2 HA SER 1 HA SER 1 5.846 -7.128 -1.680 3 HB2 SER 1 HB2 SER 1 4.842 -5.486 -0.177 4 HB3 SER 1 HB1 SER 1 5.125 -4.202 -1.349 5 HG SER 1 HG SER 1 3.780 -5.447 -2.800 6 H GLU 2 HN GLU 2 6.053 -7.800 -3.721 7 HA GLU 2 HA GLU 2 6.833 -6.031 -5.832 8 HB2 GLU 2 HB2 GLU 2 5.749 -8.786 -6.321 9 HB3 GLU 2 HB1 GLU 2 7.028 -7.932 -7.166 10 HG2 GLU 2 HG2 GLU 2 8.454 -8.066 -5.158 11 HG3 GLU 2 HG1 GLU 2 7.206 -9.005 -4.347 12 HA PRO 3 HA PRO 3 2.741 -4.889 -7.187 13 HB2 PRO 3 HB2 PRO 3 3.186 -4.238 -9.757 14 HB3 PRO 3 HB1 PRO 3 3.891 -3.320 -8.379 15 HG2 PRO 3 HG2 PRO 3 5.203 -5.343 -10.145 16 HG3 PRO 3 HG1 PRO 3 5.809 -3.782 -9.568 17 HD2 PRO 3 HD2 PRO 3 6.437 -6.176 -8.404 18 HD3 PRO 3 HD1 PRO 3 6.451 -4.625 -7.543 19 H ASP 4 HN ASP 4 3.603 -6.034 -10.246 20 HA ASP 4 HA ASP 4 1.476 -8.112 -10.250 21 HB2 ASP 4 HB2 ASP 4 2.344 -8.040 -12.831 22 HB3 ASP 4 HB1 ASP 4 1.089 -6.980 -12.210 23 H GLU 5 HN GLU 5 4.165 -8.440 -8.973 24 HA GLU 5 HA GLU 5 5.128 -10.778 -10.533 25 HB2 GLU 5 HB2 GLU 5 6.579 -8.738 -9.327 26 HB3 GLU 5 HB1 GLU 5 6.626 -10.004 -8.100 27 HG2 GLU 5 HG2 GLU 5 7.425 -10.309 -11.001 28 HG3 GLU 5 HG1 GLU 5 8.518 -10.258 -9.617 29 H ILE 6 HN ILE 6 4.343 -9.832 -7.178 30 HA ILE 6 HA ILE 6 4.318 -12.483 -6.212 31 HB ILE 6 HB ILE 6 3.170 -9.886 -5.230 32 HG12 ILE 6 HG12 ILE 6 5.066 -11.809 -3.875 33 HG13 ILE 6 HG11 ILE 6 5.629 -10.588 -5.002 34 HG21 ILE 6 HG21 ILE 6 2.595 -12.641 -4.162 35 HG22 ILE 6 HG22 ILE 6 1.475 -11.314 -4.454 36 HG23 ILE 6 HG23 ILE 6 2.596 -11.235 -3.094 37 HD11 ILE 6 HD11 ILE 6 4.032 -10.077 -2.487 38 HD12 ILE 6 HD12 ILE 6 4.575 -8.833 -3.613 39 HD13 ILE 6 HD13 ILE 6 5.754 -9.764 -2.687 40 H CYS 7 HN CYS 7 1.800 -10.441 -7.523 41 HA CYS 7 HA CYS 7 -0.380 -12.096 -6.953 42 HB2 CYS 7 HB2 CYS 7 -0.102 -9.664 -8.262 43 HB3 CYS 7 HB1 CYS 7 -0.564 -10.737 -9.578 44 H ARG 8 HN ARG 8 1.726 -12.069 -9.707 45 HA ARG 8 HA ARG 8 0.438 -14.130 -11.174 46 HB2 ARG 8 HB2 ARG 8 3.309 -13.196 -11.267 47 HB3 ARG 8 HB1 ARG 8 2.581 -14.322 -12.413 48 HG2 ARG 8 HG2 ARG 8 0.922 -12.643 -13.068 49 HG3 ARG 8 HG1 ARG 8 1.569 -11.513 -11.877 50 HD2 ARG 8 HD2 ARG 8 3.770 -11.600 -13.044 51 HD3 ARG 8 HD1 ARG 8 3.048 -12.637 -14.271 52 HE ARG 8 HE ARG 8 1.462 -10.340 -14.097 53 HH11 ARG 8 HH11 ARG 8 1.765 -8.634 -15.568 54 HH12 ARG 8 HH12 ARG 8 3.272 -8.479 -16.407 55 HH21 ARG 8 HH21 ARG 8 4.702 -11.253 -14.899 56 HH22 ARG 8 HH22 ARG 8 4.935 -9.960 -16.026 57 H ALA 9 HN ALA 9 2.952 -14.170 -8.723 58 HA ALA 9 HA ALA 9 3.725 -16.819 -9.022 59 HB1 ALA 9 HB1 ALA 9 5.154 -15.388 -7.684 60 HB2 ALA 9 HB2 ALA 9 4.412 -16.440 -6.473 61 HB3 ALA 9 HB3 ALA 9 3.791 -14.952 -6.626 62 H ARG 10 HN ARG 10 0.757 -15.581 -7.911 63 HA ARG 10 HA ARG 10 0.192 -17.936 -6.259 64 HB2 ARG 10 HB2 ARG 10 -0.656 -15.135 -6.341 65 HB3 ARG 10 HB1 ARG 10 -2.021 -16.242 -6.123 66 HG2 ARG 10 HG2 ARG 10 -0.826 -17.285 -4.220 67 HG3 ARG 10 HG1 ARG 10 0.508 -16.153 -4.441 68 HD2 ARG 10 HD2 ARG 10 -1.030 -14.269 -4.030 69 HD3 ARG 10 HD1 ARG 10 -2.358 -15.403 -3.802 70 HE ARG 10 HE ARG 10 -0.170 -14.883 -1.937 71 HH11 ARG 10 HH11 ARG 10 -0.435 -15.831 0.111 72 HH12 ARG 10 HH12 ARG 10 -1.675 -17.014 0.358 73 HH21 ARG 10 HH21 ARG 10 -2.816 -16.892 -2.912 74 HH22 ARG 10 HH22 ARG 10 -3.023 -17.614 -1.353 75 H MET 11 HN MET 11 -0.270 -16.734 -9.411 76 HA MET 11 HA MET 11 -2.511 -18.605 -9.805 77 HB2 MET 11 HB2 MET 11 -3.248 -17.062 -11.678 78 HB3 MET 11 HB1 MET 11 -3.442 -16.465 -10.030 79 HG2 MET 11 HG2 MET 11 -1.428 -15.160 -10.213 80 HG3 MET 11 HG1 MET 11 -1.060 -15.846 -11.787 81 HE1 MET 11 HE1 MET 11 -4.304 -12.929 -10.554 82 HE2 MET 11 HE2 MET 11 -3.461 -14.143 -9.595 83 HE3 MET 11 HE3 MET 11 -4.824 -14.617 -10.605 84 H THR 12 HN THR 12 -2.621 -19.531 -11.948 85 HA THR 12 HA THR 12 -0.015 -20.286 -12.979 86 HB THR 12 HB THR 12 -1.286 -21.624 -14.603 87 HG1 THR 12 HG1 THR 12 -3.588 -21.536 -14.420 88 HG21 THR 12 HG21 THR 12 -0.929 -22.315 -12.169 89 HG22 THR 12 HG22 THR 12 -2.233 -23.135 -13.028 90 HG23 THR 12 HG23 THR 12 -2.604 -21.834 -11.896 91 H HIS 13 HN HIS 13 0.572 -20.043 -15.274 92 HA HIS 13 HA HIS 13 0.444 -17.332 -16.152 93 HB2 HIS 13 HB2 HIS 13 2.289 -19.013 -16.667 94 HB3 HIS 13 HB1 HIS 13 1.183 -19.726 -17.840 95 HD1 HIS 13 HD1 HIS 13 2.310 -16.165 -17.021 96 HD2 HIS 13 HD2 HIS 13 1.620 -18.620 -20.317 97 HE1 HIS 13 HE1 HIS 13 2.848 -14.779 -19.070 98 H LYS 14 HN LYS 14 -1.283 -20.265 -17.237 99 HA LYS 14 HA LYS 14 -2.592 -19.062 -19.375 100 HB2 LYS 14 HB2 LYS 14 -2.642 -21.406 -19.183 101 HB3 LYS 14 HB1 LYS 14 -3.318 -21.321 -17.518 102 HG2 LYS 14 HG2 LYS 14 -5.438 -20.546 -18.372 103 HG3 LYS 14 HG1 LYS 14 -4.774 -20.326 -19.990 104 HD2 LYS 14 HD2 LYS 14 -4.424 -22.770 -20.151 105 HD3 LYS 14 HD1 LYS 14 -5.139 -22.963 -18.549 106 HE2 LYS 14 HE2 LYS 14 -6.567 -21.644 -20.873 107 HE3 LYS 14 HE1 LYS 14 -6.756 -23.346 -20.449 108 HZ1 LYS 14 HZ1 LYS 14 -7.089 -21.391 -18.307 109 HZ2 LYS 14 HZ2 LYS 14 -7.908 -22.854 -18.582 110 HZ3 LYS 14 HZ3 LYS 14 -8.318 -21.467 -19.474 111 H GLU 15 HN GLU 15 -3.485 -19.242 -15.954 112 HA GLU 15 HA GLU 15 -6.022 -18.012 -16.291 113 HB2 GLU 15 HB2 GLU 15 -5.347 -19.369 -14.310 114 HB3 GLU 15 HB1 GLU 15 -4.273 -18.056 -13.824 115 HG2 GLU 15 HG2 GLU 15 -6.197 -16.517 -13.713 116 HG3 GLU 15 HG1 GLU 15 -7.271 -17.826 -14.203 117 H PHE 16 HN PHE 16 -2.846 -16.790 -15.334 118 HA PHE 16 HA PHE 16 -3.580 -14.103 -14.870 119 HB2 PHE 16 HB2 PHE 16 -1.399 -14.888 -14.148 120 HB3 PHE 16 HB1 PHE 16 -0.957 -15.275 -15.826 121 HD1 PHE 16 HD1 PHE 16 -0.067 -13.636 -17.269 122 HD2 PHE 16 HD2 PHE 16 -1.853 -12.448 -13.551 123 HE1 PHE 16 HE1 PHE 16 0.765 -11.326 -17.603 124 HE2 PHE 16 HE2 PHE 16 -1.017 -10.146 -13.881 125 HZ PHE 16 HZ PHE 16 0.287 -9.582 -15.908 126 H ASN 17 HN ASN 17 -2.405 -15.667 -17.875 127 HA ASN 17 HA ASN 17 -2.467 -13.315 -19.461 128 HB2 ASN 17 HB2 ASN 17 -2.622 -16.262 -20.084 129 HB3 ASN 17 HB1 ASN 17 -2.635 -15.034 -21.345 130 HD21 ASN 17 HD21 ASN 17 -0.493 -16.844 -21.277 131 HD22 ASN 17 HD22 ASN 17 0.911 -16.032 -20.784 132 H TYR 18 HN TYR 18 -4.918 -15.803 -18.812 133 HA TYR 18 HA TYR 18 -6.803 -14.931 -20.666 134 HB2 TYR 18 HB2 TYR 18 -7.039 -17.053 -19.642 135 HB3 TYR 18 HB1 TYR 18 -7.149 -16.337 -18.019 136 HD1 TYR 18 HD1 TYR 18 -9.163 -15.030 -17.392 137 HD2 TYR 18 HD2 TYR 18 -8.913 -17.071 -21.152 138 HE1 TYR 18 HE1 TYR 18 -11.605 -14.775 -17.678 139 HE2 TYR 18 HE2 TYR 18 -11.364 -16.821 -21.446 140 HH TYR 18 HH TYR 18 -13.440 -16.254 -19.143 141 H LYS 19 HN LYS 19 -6.586 -14.213 -17.232 142 HA LYS 19 HA LYS 19 -8.750 -12.395 -17.133 143 HB2 LYS 19 HB2 LYS 19 -6.338 -12.493 -15.306 144 HB3 LYS 19 HB1 LYS 19 -7.910 -11.769 -14.970 145 HG2 LYS 19 HG2 LYS 19 -7.688 -14.693 -15.662 146 HG3 LYS 19 HG1 LYS 19 -7.439 -14.139 -14.012 147 HD2 LYS 19 HD2 LYS 19 -9.670 -13.075 -14.037 148 HD3 LYS 19 HD1 LYS 19 -9.929 -13.653 -15.679 149 HE2 LYS 19 HE2 LYS 19 -9.688 -15.978 -14.907 150 HE3 LYS 19 HE1 LYS 19 -9.448 -15.399 -13.258 151 HZ1 LYS 19 HZ1 LYS 19 -11.854 -14.809 -14.888 152 HZ2 LYS 19 HZ2 LYS 19 -11.623 -14.466 -13.240 153 HZ3 LYS 19 HZ3 LYS 19 -11.762 -16.076 -13.765 154 H SER 20 HN SER 20 -5.316 -11.955 -17.684 155 HA SER 20 HA SER 20 -5.316 -9.147 -17.569 156 HB2 SER 20 HB2 SER 20 -3.226 -10.505 -17.582 157 HB3 SER 20 HB1 SER 20 -3.558 -10.960 -19.251 158 HG SER 20 HG SER 20 -3.271 -8.873 -19.879 159 H ASN 21 HN ASN 21 -5.913 -11.291 -20.246 160 HA ASN 21 HA ASN 21 -6.256 -9.306 -22.264 161 HB2 ASN 21 HB2 ASN 21 -5.942 -11.705 -22.775 162 HB3 ASN 21 HB1 ASN 21 -7.510 -12.053 -22.033 163 HD21 ASN 21 HD21 ASN 21 -8.685 -12.650 -23.929 164 HD22 ASN 21 HD22 ASN 21 -8.944 -11.590 -25.229 165 H VAL 22 HN VAL 22 -8.435 -10.681 -19.873 166 HA VAL 22 HA VAL 22 -10.844 -9.590 -20.909 167 HB VAL 22 HB VAL 22 -10.084 -10.341 -18.095 168 HG11 VAL 22 HG11 VAL 22 -11.945 -8.855 -17.912 169 HG12 VAL 22 HG12 VAL 22 -12.631 -10.479 -17.876 170 HG13 VAL 22 HG13 VAL 22 -12.708 -9.524 -19.356 171 HG21 VAL 22 HG21 VAL 22 -10.099 -12.093 -19.965 172 HG22 VAL 22 HG22 VAL 22 -11.834 -11.811 -20.070 173 HG23 VAL 22 HG23 VAL 22 -11.129 -12.425 -18.574 174 H CYS 23 HN CYS 23 -8.613 -8.419 -18.385 175 HA CYS 23 HA CYS 23 -9.988 -5.956 -17.901 176 HB2 CYS 23 HB2 CYS 23 -7.188 -6.934 -17.374 177 HB3 CYS 23 HB1 CYS 23 -7.719 -5.274 -16.984 178 H ASN 24 HN ASN 24 -7.330 -6.816 -20.120 179 HA ASN 24 HA ASN 24 -6.825 -4.149 -20.942 180 HB2 ASN 24 HB2 ASN 24 -6.411 -6.832 -22.281 181 HB3 ASN 24 HB1 ASN 24 -5.838 -5.310 -22.960 182 HD21 ASN 24 HD21 ASN 24 -4.059 -7.448 -22.150 183 HD22 ASN 24 HD22 ASN 24 -3.134 -6.881 -20.844 184 H GLY 25 HN GLY 25 -9.318 -6.452 -21.836 185 HA2 GLY 25 HA2 GLY 25 -10.062 -4.828 -24.121 186 HA3 GLY 25 HA1 GLY 25 -10.898 -6.297 -23.642 187 H CYS 26 HN CYS 26 -10.387 -4.343 -20.942 188 HA CYS 26 HA CYS 26 -13.170 -3.741 -20.812 189 HB2 CYS 26 HB2 CYS 26 -11.754 -4.403 -18.800 190 HB3 CYS 26 HB1 CYS 26 -10.971 -2.823 -18.957 191 H GLY 27 HN GLY 27 -10.315 -1.751 -21.612 192 HA2 GLY 27 HA2 GLY 27 -10.942 -0.049 -23.068 193 HA3 GLY 27 HA1 GLY 27 -12.162 0.508 -21.929 194 H ASP 28 HN ASP 28 -11.528 2.183 -20.657 195 HA ASP 28 HA ASP 28 -8.663 2.747 -20.381 196 HB2 ASP 28 HB2 ASP 28 -11.174 4.361 -19.877 197 HB3 ASP 28 HB1 ASP 28 -9.563 4.944 -19.451 198 H GLN 29 HN GLN 29 -10.594 0.799 -18.851 199 HA GLN 29 HA GLN 29 -9.944 1.676 -16.071 200 HB2 GLN 29 HB2 GLN 29 -11.699 -0.626 -16.901 201 HB3 GLN 29 HB1 GLN 29 -11.543 0.120 -15.311 202 HG2 GLN 29 HG2 GLN 29 -13.536 1.031 -16.210 203 HG3 GLN 29 HG1 GLN 29 -12.320 2.294 -16.407 204 HE21 GLN 29 HE21 GLN 29 -13.019 3.283 -18.353 205 HE22 GLN 29 HE22 GLN 29 -13.194 2.447 -19.820 206 H VAL 30 HN VAL 30 -8.368 0.168 -18.413 207 HA VAL 30 HA VAL 30 -7.653 -2.337 -17.719 208 HB VAL 30 HB VAL 30 -5.521 -0.280 -18.277 209 HG11 VAL 30 HG11 VAL 30 -4.594 -2.147 -19.639 210 HG12 VAL 30 HG12 VAL 30 -5.893 -3.177 -19.035 211 HG13 VAL 30 HG13 VAL 30 -4.700 -2.517 -17.916 212 HG21 VAL 30 HG21 VAL 30 -7.157 0.324 -19.850 213 HG22 VAL 30 HG22 VAL 30 -7.661 -1.348 -20.101 214 HG23 VAL 30 HG23 VAL 30 -6.109 -0.788 -20.727 215 H ALA 31 HN ALA 31 -6.205 0.588 -16.228 216 HA ALA 31 HA ALA 31 -4.607 -0.929 -14.487 217 HB1 ALA 31 HB1 ALA 31 -5.352 2.008 -14.158 218 HB2 ALA 31 HB2 ALA 31 -4.057 1.377 -15.164 219 HB3 ALA 31 HB3 ALA 31 -4.017 1.089 -13.431 220 H ALA 32 HN ALA 32 -7.801 0.555 -14.066 221 HA ALA 32 HA ALA 32 -8.010 0.035 -11.328 222 HB1 ALA 32 HB1 ALA 32 -10.539 0.059 -12.001 223 HB2 ALA 32 HB2 ALA 32 -9.941 0.461 -13.610 224 HB3 ALA 32 HB3 ALA 32 -9.654 1.566 -12.289 225 H CYS 33 HN CYS 33 -8.851 -1.759 -14.213 226 HA CYS 33 HA CYS 33 -10.133 -3.936 -12.924 227 HB2 CYS 33 HB2 CYS 33 -10.407 -3.420 -15.331 228 HB3 CYS 33 HB1 CYS 33 -8.770 -3.978 -15.593 229 H GLU 34 HN GLU 34 -6.785 -3.259 -13.792 230 HA GLU 34 HA GLU 34 -5.858 -5.871 -13.142 231 HB2 GLU 34 HB2 GLU 34 -4.553 -3.272 -13.915 232 HB3 GLU 34 HB1 GLU 34 -3.571 -4.579 -13.314 233 HG2 GLU 34 HG2 GLU 34 -4.445 -6.039 -15.086 234 HG3 GLU 34 HG1 GLU 34 -5.505 -4.764 -15.650 235 H ALA 35 HN ALA 35 -6.564 -3.009 -11.331 236 HA ALA 35 HA ALA 35 -4.707 -2.788 -9.425 237 HB1 ALA 35 HB1 ALA 35 -7.638 -2.952 -8.816 238 HB2 ALA 35 HB2 ALA 35 -6.979 -1.504 -9.623 239 HB3 ALA 35 HB3 ALA 35 -6.477 -1.910 -8.024 240 H GLU 36 HN GLU 36 -7.516 -4.880 -9.037 241 HA GLU 36 HA GLU 36 -6.073 -6.195 -6.831 242 HB2 GLU 36 HB2 GLU 36 -8.993 -6.256 -7.580 243 HB3 GLU 36 HB1 GLU 36 -8.287 -7.108 -6.204 244 HG2 GLU 36 HG2 GLU 36 -8.092 -4.115 -6.637 245 HG3 GLU 36 HG1 GLU 36 -9.289 -4.884 -5.597 246 H CYS 37 HN CYS 37 -5.137 -6.925 -9.406 247 HA CYS 37 HA CYS 37 -4.827 -8.701 -10.746 248 HB2 CYS 37 HB2 CYS 37 -4.803 -9.647 -8.029 249 HB3 CYS 37 HB1 CYS 37 -5.622 -10.863 -8.988 250 H PHE 38 HN PHE 38 -7.216 -7.497 -11.148 251 HA PHE 38 HA PHE 38 -9.108 -7.847 -12.280 252 HB2 PHE 38 HB2 PHE 38 -8.886 -10.829 -12.539 253 HB3 PHE 38 HB1 PHE 38 -9.132 -9.553 -13.762 254 HD1 PHE 38 HD1 PHE 38 -6.900 -12.001 -12.664 255 HD2 PHE 38 HD2 PHE 38 -6.964 -7.893 -13.883 256 HE1 PHE 38 HE1 PHE 38 -4.500 -12.125 -13.207 257 HE2 PHE 38 HE2 PHE 38 -4.571 -8.056 -14.448 258 HZ PHE 38 HZ PHE 38 -3.340 -10.143 -14.113 259 H ARG 39 HN ARG 39 -8.663 -8.645 -9.272 260 HA ARG 39 HA ARG 39 -11.251 -9.978 -8.827 261 HB2 ARG 39 HB2 ARG 39 -9.151 -9.204 -6.768 262 HB3 ARG 39 HB1 ARG 39 -10.474 -10.336 -6.560 263 HG2 ARG 39 HG2 ARG 39 -9.464 -11.850 -8.220 264 HG3 ARG 39 HG1 ARG 39 -8.124 -10.726 -8.441 265 HD2 ARG 39 HD2 ARG 39 -7.572 -10.948 -6.030 266 HD3 ARG 39 HD1 ARG 39 -8.870 -12.126 -5.859 267 HE ARG 39 HE ARG 39 -6.289 -12.554 -7.143 268 HH11 ARG 39 HH11 ARG 39 -5.871 -14.707 -7.732 269 HH12 ARG 39 HH12 ARG 39 -7.156 -15.868 -7.717 270 HH21 ARG 39 HH21 ARG 39 -9.553 -13.593 -6.667 271 HH22 ARG 39 HH22 ARG 39 -9.242 -15.237 -7.113 272 H ASN 40 HN ASN 40 -12.273 -8.090 -9.686 273 HA ASN 40 HA ASN 40 -13.087 -6.310 -7.516 274 HB2 ASN 40 HB2 ASN 40 -12.520 -4.209 -8.795 275 HB3 ASN 40 HB1 ASN 40 -11.136 -5.155 -8.233 276 HD21 ASN 40 HD21 ASN 40 -9.709 -4.430 -9.897 277 HD22 ASN 40 HD22 ASN 40 -9.914 -4.906 -11.509 278 H ASP 41 HN ASP 41 -14.831 -4.726 -8.275 279 HA ASP 41 HA ASP 41 -16.706 -6.240 -9.656 280 HB2 ASP 41 HB2 ASP 41 -17.406 -4.593 -7.928 281 HB3 ASP 41 HB1 ASP 41 -16.657 -3.301 -8.855 282 H VAL 42 HN VAL 42 -14.498 -3.702 -10.702 283 HA VAL 42 HA VAL 42 -15.728 -3.188 -13.201 284 HB VAL 42 HB VAL 42 -12.875 -2.978 -12.170 285 HG11 VAL 42 HG11 VAL 42 -12.587 -3.326 -14.487 286 HG12 VAL 42 HG12 VAL 42 -12.528 -1.585 -14.271 287 HG13 VAL 42 HG13 VAL 42 -13.989 -2.340 -14.894 288 HG21 VAL 42 HG21 VAL 42 -13.361 -0.513 -12.453 289 HG22 VAL 42 HG22 VAL 42 -14.350 -1.320 -11.221 290 HG23 VAL 42 HG23 VAL 42 -15.038 -0.956 -12.804 291 H TYR 43 HN TYR 43 -13.302 -5.560 -12.210 292 HA TYR 43 HA TYR 43 -12.817 -6.696 -14.698 293 HB2 TYR 43 HB2 TYR 43 -11.463 -7.408 -12.826 294 HB3 TYR 43 HB1 TYR 43 -12.885 -7.888 -11.905 295 HD1 TYR 43 HD1 TYR 43 -11.024 -8.643 -15.061 296 HD2 TYR 43 HD2 TYR 43 -13.679 -10.097 -12.016 297 HE1 TYR 43 HE1 TYR 43 -10.888 -10.925 -16.020 298 HE2 TYR 43 HE2 TYR 43 -13.540 -12.376 -12.979 299 HH TYR 43 HH TYR 43 -13.017 -13.410 -15.176 300 H THR 44 HN THR 44 -15.274 -7.512 -12.256 301 HA THR 44 HA THR 44 -16.513 -9.533 -13.712 302 HB THR 44 HB THR 44 -17.693 -7.646 -11.677 303 HG1 THR 44 HG1 THR 44 -16.360 -8.909 -10.623 304 HG21 THR 44 HG21 THR 44 -19.556 -8.487 -12.945 305 HG22 THR 44 HG22 THR 44 -19.450 -9.488 -11.497 306 HG23 THR 44 HG23 THR 44 -18.847 -10.099 -13.037 307 H ALA 45 HN ALA 45 -17.317 -6.075 -13.604 308 HA ALA 45 HA ALA 45 -19.494 -5.977 -15.351 309 HB1 ALA 45 HB1 ALA 45 -18.759 -3.447 -15.462 310 HB2 ALA 45 HB2 ALA 45 -17.253 -4.049 -14.807 311 HB3 ALA 45 HB3 ALA 45 -18.725 -4.120 -13.855 312 H CYS 46 HN CYS 46 -15.968 -5.645 -15.929 313 HA CYS 46 HA CYS 46 -16.254 -5.262 -18.737 314 HB2 CYS 46 HB2 CYS 46 -13.767 -6.194 -17.248 315 HB3 CYS 46 HB1 CYS 46 -13.836 -5.447 -18.862 316 H HIS 47 HN HIS 47 -15.564 -8.080 -16.736 317 HA HIS 47 HA HIS 47 -15.152 -9.859 -18.866 318 HB2 HIS 47 HB2 HIS 47 -14.461 -10.251 -16.473 319 HB3 HIS 47 HB1 HIS 47 -16.157 -10.529 -16.087 320 HD1 HIS 47 HD1 HIS 47 -16.439 -12.999 -15.841 321 HD2 HIS 47 HD2 HIS 47 -14.043 -12.041 -19.115 322 HE1 HIS 47 HE1 HIS 47 -15.921 -15.183 -17.013 323 H GLU 48 HN GLU 48 -18.020 -9.042 -16.977 324 HA GLU 48 HA GLU 48 -19.753 -10.915 -18.229 325 HB2 GLU 48 HB2 GLU 48 -20.421 -8.346 -16.780 326 HB3 GLU 48 HB1 GLU 48 -21.542 -9.620 -17.196 327 HG2 GLU 48 HG2 GLU 48 -19.083 -10.329 -15.604 328 HG3 GLU 48 HG1 GLU 48 -20.485 -9.643 -14.789 329 H ALA 49 HN ALA 49 -18.644 -7.723 -19.046 330 HA ALA 49 HA ALA 49 -20.714 -7.160 -20.903 331 HB1 ALA 49 HB1 ALA 49 -18.020 -5.917 -20.364 332 HB2 ALA 49 HB2 ALA 49 -19.619 -5.288 -19.968 333 HB3 ALA 49 HB3 ALA 49 -19.080 -5.332 -21.648 334 H GLN 50 HN GLN 50 -17.745 -8.971 -21.007 335 HA GLN 50 HA GLN 50 -17.646 -8.865 -23.938 336 HB2 GLN 50 HB2 GLN 50 -15.801 -10.026 -21.819 337 HB3 GLN 50 HB1 GLN 50 -15.535 -10.272 -23.547 338 HG2 GLN 50 HG2 GLN 50 -15.383 -7.850 -23.877 339 HG3 GLN 50 HG1 GLN 50 -15.716 -7.582 -22.166 340 HE21 GLN 50 HE21 GLN 50 -13.411 -6.463 -22.663 341 HE22 GLN 50 HE22 GLN 50 -12.071 -7.443 -22.307 342 H LYS 51 HN LYS 51 -18.065 -10.528 -25.240 343 HA LYS 51 HA LYS 51 -18.451 -13.201 -24.328 344 HB2 LYS 51 HB2 LYS 51 -20.870 -13.365 -24.735 345 HB3 LYS 51 HB1 LYS 51 -20.518 -12.241 -23.422 346 HG2 LYS 51 HG2 LYS 51 -20.664 -10.352 -25.040 347 HG3 LYS 51 HG1 LYS 51 -21.119 -11.498 -26.300 348 HD2 LYS 51 HD2 LYS 51 -23.067 -12.197 -24.907 349 HD3 LYS 51 HD1 LYS 51 -22.644 -10.943 -23.740 350 HE2 LYS 51 HE2 LYS 51 -23.235 -10.420 -26.668 351 HE3 LYS 51 HE1 LYS 51 -24.405 -10.214 -25.364 352 HZ1 LYS 51 HZ1 LYS 51 -23.509 -8.115 -25.595 353 HZ2 LYS 51 HZ2 LYS 51 -21.939 -8.691 -25.896 354 HZ3 LYS 51 HZ3 LYS 51 -22.585 -8.754 -24.326 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 8.091 -4.287 -1.889 2 HA SER 1 HA SER 1 6.223 -3.403 -2.639 3 HB2 SER 1 HB2 SER 1 6.302 -1.492 -4.004 4 HB3 SER 1 HB1 SER 1 7.923 -1.532 -3.318 5 HG SER 1 HG SER 1 8.026 -3.049 -5.433 6 H GLU 2 HN GLU 2 7.217 -5.970 -3.629 7 HA GLU 2 HA GLU 2 7.030 -6.583 -6.243 8 HB2 GLU 2 HB2 GLU 2 5.682 -7.985 -3.949 9 HB3 GLU 2 HB1 GLU 2 5.811 -8.661 -5.576 10 HG2 GLU 2 HG2 GLU 2 8.212 -8.639 -5.490 11 HG3 GLU 2 HG1 GLU 2 8.211 -7.688 -4.007 12 HA PRO 3 HA PRO 3 2.856 -4.854 -7.018 13 HB2 PRO 3 HB2 PRO 3 3.226 -4.200 -9.600 14 HB3 PRO 3 HB1 PRO 3 3.981 -3.287 -8.253 15 HG2 PRO 3 HG2 PRO 3 5.223 -5.247 -10.125 16 HG3 PRO 3 HG1 PRO 3 5.873 -3.738 -9.459 17 HD2 PRO 3 HD2 PRO 3 6.399 -6.298 -8.446 18 HD3 PRO 3 HD1 PRO 3 6.654 -4.770 -7.578 19 H ASP 4 HN ASP 4 3.661 -6.045 -10.056 20 HA ASP 4 HA ASP 4 1.554 -8.147 -10.062 21 HB2 ASP 4 HB2 ASP 4 2.418 -8.072 -12.641 22 HB3 ASP 4 HB1 ASP 4 1.155 -7.020 -12.025 23 H GLU 5 HN GLU 5 4.241 -8.451 -8.760 24 HA GLU 5 HA GLU 5 5.214 -10.780 -10.318 25 HB2 GLU 5 HB2 GLU 5 7.245 -9.878 -9.745 26 HB3 GLU 5 HB1 GLU 5 6.505 -8.795 -8.572 27 HG2 GLU 5 HG2 GLU 5 6.497 -10.546 -6.881 28 HG3 GLU 5 HG1 GLU 5 7.033 -11.744 -8.055 29 H ILE 6 HN ILE 6 4.206 -9.813 -7.049 30 HA ILE 6 HA ILE 6 4.211 -12.454 -6.032 31 HB ILE 6 HB ILE 6 3.036 -9.854 -5.115 32 HG12 ILE 6 HG12 ILE 6 5.489 -10.780 -4.754 33 HG13 ILE 6 HG11 ILE 6 4.656 -9.964 -3.436 34 HG21 ILE 6 HG21 ILE 6 2.292 -11.144 -3.009 35 HG22 ILE 6 HG22 ILE 6 2.323 -12.576 -4.036 36 HG23 ILE 6 HG23 ILE 6 1.248 -11.233 -4.430 37 HD11 ILE 6 HD11 ILE 6 5.837 -12.215 -2.920 38 HD12 ILE 6 HD12 ILE 6 4.469 -12.953 -3.757 39 HD13 ILE 6 HD13 ILE 6 4.196 -11.977 -2.312 40 H CYS 7 HN CYS 7 1.746 -10.489 -7.496 41 HA CYS 7 HA CYS 7 -0.406 -12.191 -6.975 42 HB2 CYS 7 HB2 CYS 7 -0.162 -9.733 -8.222 43 HB3 CYS 7 HB1 CYS 7 -0.597 -10.784 -9.566 44 H ARG 8 HN ARG 8 1.794 -12.082 -9.655 45 HA ARG 8 HA ARG 8 0.603 -14.118 -11.217 46 HB2 ARG 8 HB2 ARG 8 2.221 -12.500 -12.119 47 HB3 ARG 8 HB1 ARG 8 3.503 -13.304 -11.208 48 HG2 ARG 8 HG2 ARG 8 3.058 -15.413 -12.389 49 HG3 ARG 8 HG1 ARG 8 1.716 -14.662 -13.253 50 HD2 ARG 8 HD2 ARG 8 3.656 -14.659 -14.705 51 HD3 ARG 8 HD1 ARG 8 3.325 -13.003 -14.204 52 HE ARG 8 HE ARG 8 5.162 -14.204 -12.406 53 HH11 ARG 8 HH11 ARG 8 7.348 -13.623 -12.575 54 HH12 ARG 8 HH12 ARG 8 7.936 -12.893 -14.031 55 HH21 ARG 8 HH21 ARG 8 4.857 -12.973 -15.625 56 HH22 ARG 8 HH22 ARG 8 6.526 -12.526 -15.760 57 H ALA 9 HN ALA 9 3.096 -14.185 -8.751 58 HA ALA 9 HA ALA 9 3.874 -16.844 -9.056 59 HB1 ALA 9 HB1 ALA 9 3.865 -15.078 -6.598 60 HB2 ALA 9 HB2 ALA 9 5.243 -15.291 -7.746 61 HB3 ALA 9 HB3 ALA 9 4.720 -16.499 -6.614 62 H ARG 10 HN ARG 10 0.883 -15.609 -7.927 63 HA ARG 10 HA ARG 10 0.363 -17.963 -6.239 64 HB2 ARG 10 HB2 ARG 10 -0.053 -15.765 -5.257 65 HB3 ARG 10 HB1 ARG 10 -1.151 -15.367 -6.568 66 HG2 ARG 10 HG2 ARG 10 -2.683 -17.098 -5.921 67 HG3 ARG 10 HG1 ARG 10 -1.533 -17.768 -4.765 68 HD2 ARG 10 HD2 ARG 10 -1.636 -15.583 -3.523 69 HD3 ARG 10 HD1 ARG 10 -2.923 -15.081 -4.618 70 HE ARG 10 HE ARG 10 -3.610 -17.585 -3.522 71 HH11 ARG 10 HH11 ARG 10 -5.095 -17.666 -1.806 72 HH12 ARG 10 HH12 ARG 10 -5.379 -16.253 -0.846 73 HH21 ARG 10 HH21 ARG 10 -3.135 -14.283 -2.610 74 HH22 ARG 10 HH22 ARG 10 -4.269 -14.337 -1.301 75 H MET 11 HN MET 11 -0.186 -16.733 -9.367 76 HA MET 11 HA MET 11 -2.460 -18.573 -9.755 77 HB2 MET 11 HB2 MET 11 -3.195 -16.979 -11.597 78 HB3 MET 11 HB1 MET 11 -3.370 -16.407 -9.941 79 HG2 MET 11 HG2 MET 11 -0.982 -15.407 -10.315 80 HG3 MET 11 HG1 MET 11 -1.358 -15.578 -12.016 81 HE1 MET 11 HE1 MET 11 -4.752 -13.700 -12.240 82 HE2 MET 11 HE2 MET 11 -4.748 -15.211 -11.344 83 HE3 MET 11 HE3 MET 11 -3.777 -15.061 -12.804 84 H THR 12 HN THR 12 -2.625 -19.513 -11.883 85 HA THR 12 HA THR 12 -0.063 -20.323 -12.946 86 HB THR 12 HB THR 12 -1.552 -21.444 -14.697 87 HG1 THR 12 HG1 THR 12 -3.349 -20.142 -14.537 88 HG21 THR 12 HG21 THR 12 -2.451 -23.069 -12.987 89 HG22 THR 12 HG22 THR 12 -1.916 -21.946 -11.736 90 HG23 THR 12 HG23 THR 12 -0.736 -22.697 -12.811 91 H HIS 13 HN HIS 13 0.502 -20.104 -15.249 92 HA HIS 13 HA HIS 13 0.440 -17.381 -16.121 93 HB2 HIS 13 HB2 HIS 13 1.315 -19.933 -17.499 94 HB3 HIS 13 HB1 HIS 13 1.517 -18.323 -18.195 95 HD1 HIS 13 HD1 HIS 13 2.706 -20.492 -15.351 96 HD2 HIS 13 HD2 HIS 13 3.582 -16.781 -17.034 97 HE1 HIS 13 HE1 HIS 13 4.864 -19.711 -14.277 98 H LYS 14 HN LYS 14 -1.271 -20.310 -17.258 99 HA LYS 14 HA LYS 14 -2.526 -19.083 -19.428 100 HB2 LYS 14 HB2 LYS 14 -4.083 -20.952 -19.334 101 HB3 LYS 14 HB1 LYS 14 -2.474 -21.551 -18.921 102 HG2 LYS 14 HG2 LYS 14 -3.092 -21.142 -16.477 103 HG3 LYS 14 HG1 LYS 14 -4.751 -20.925 -17.032 104 HD2 LYS 14 HD2 LYS 14 -3.071 -23.395 -17.545 105 HD3 LYS 14 HD1 LYS 14 -4.299 -23.256 -16.286 106 HE2 LYS 14 HE2 LYS 14 -5.911 -22.592 -18.197 107 HE3 LYS 14 HE1 LYS 14 -4.675 -23.234 -19.279 108 HZ1 LYS 14 HZ1 LYS 14 -6.386 -24.871 -18.620 109 HZ2 LYS 14 HZ2 LYS 14 -5.845 -24.748 -17.014 110 HZ3 LYS 14 HZ3 LYS 14 -4.808 -25.345 -18.219 111 H GLU 15 HN GLU 15 -3.504 -19.287 -16.039 112 HA GLU 15 HA GLU 15 -6.049 -18.074 -16.419 113 HB2 GLU 15 HB2 GLU 15 -5.412 -19.445 -14.440 114 HB3 GLU 15 HB1 GLU 15 -4.361 -18.131 -13.913 115 HG2 GLU 15 HG2 GLU 15 -6.286 -16.606 -13.822 116 HG3 GLU 15 HG1 GLU 15 -7.346 -17.898 -14.381 117 H PHE 16 HN PHE 16 -2.893 -16.845 -15.416 118 HA PHE 16 HA PHE 16 -3.652 -14.170 -14.941 119 HB2 PHE 16 HB2 PHE 16 -1.480 -15.080 -14.238 120 HB3 PHE 16 HB1 PHE 16 -0.991 -15.202 -15.928 121 HD1 PHE 16 HD1 PHE 16 -0.084 -13.335 -17.064 122 HD2 PHE 16 HD2 PHE 16 -2.146 -12.763 -13.337 123 HE1 PHE 16 HE1 PHE 16 0.643 -10.965 -17.024 124 HE2 PHE 16 HE2 PHE 16 -1.418 -10.393 -13.300 125 HZ PHE 16 HZ PHE 16 -0.023 -9.494 -15.143 126 H ASN 17 HN ASN 17 -2.428 -15.709 -17.943 127 HA ASN 17 HA ASN 17 -2.479 -13.342 -19.512 128 HB2 ASN 17 HB2 ASN 17 -2.638 -16.282 -20.179 129 HB3 ASN 17 HB1 ASN 17 -2.594 -15.022 -21.414 130 HD21 ASN 17 HD21 ASN 17 -0.490 -16.977 -21.124 131 HD22 ASN 17 HD22 ASN 17 0.914 -16.157 -20.640 132 H TYR 18 HN TYR 18 -4.938 -15.832 -18.904 133 HA TYR 18 HA TYR 18 -6.810 -14.952 -20.788 134 HB2 TYR 18 HB2 TYR 18 -7.034 -17.078 -19.790 135 HB3 TYR 18 HB1 TYR 18 -7.178 -16.387 -18.162 136 HD1 TYR 18 HD1 TYR 18 -9.184 -14.965 -17.621 137 HD2 TYR 18 HD2 TYR 18 -8.909 -17.232 -21.253 138 HE1 TYR 18 HE1 TYR 18 -11.627 -14.722 -17.954 139 HE2 TYR 18 HE2 TYR 18 -11.357 -16.990 -21.588 140 HH TYR 18 HH TYR 18 -13.344 -16.532 -20.327 141 H LYS 19 HN LYS 19 -6.629 -14.247 -17.361 142 HA LYS 19 HA LYS 19 -8.807 -12.460 -17.256 143 HB2 LYS 19 HB2 LYS 19 -6.407 -12.570 -15.416 144 HB3 LYS 19 HB1 LYS 19 -7.978 -11.847 -15.085 145 HG2 LYS 19 HG2 LYS 19 -7.757 -14.770 -15.784 146 HG3 LYS 19 HG1 LYS 19 -7.520 -14.214 -14.129 147 HD2 LYS 19 HD2 LYS 19 -9.756 -13.148 -14.179 148 HD3 LYS 19 HD1 LYS 19 -9.997 -13.755 -15.815 149 HE2 LYS 19 HE2 LYS 19 -9.731 -16.069 -14.990 150 HE3 LYS 19 HE1 LYS 19 -9.532 -15.451 -13.350 151 HZ1 LYS 19 HZ1 LYS 19 -11.723 -14.473 -13.475 152 HZ2 LYS 19 HZ2 LYS 19 -11.814 -16.140 -13.790 153 HZ3 LYS 19 HZ3 LYS 19 -11.915 -15.024 -15.068 154 H SER 20 HN SER 20 -5.359 -12.003 -17.783 155 HA SER 20 HA SER 20 -5.382 -9.192 -17.596 156 HB2 SER 20 HB2 SER 20 -3.284 -10.535 -17.606 157 HB3 SER 20 HB1 SER 20 -3.577 -10.957 -19.290 158 HG SER 20 HG SER 20 -3.261 -8.875 -19.868 159 H ASN 21 HN ASN 21 -5.938 -11.295 -20.309 160 HA ASN 21 HA ASN 21 -6.284 -9.306 -22.306 161 HB2 ASN 21 HB2 ASN 21 -5.964 -11.694 -22.837 162 HB3 ASN 21 HB1 ASN 21 -7.527 -12.061 -22.095 163 HD21 ASN 21 HD21 ASN 21 -8.433 -12.773 -24.180 164 HD22 ASN 21 HD22 ASN 21 -8.816 -11.645 -25.389 165 H VAL 22 HN VAL 22 -8.468 -10.705 -19.925 166 HA VAL 22 HA VAL 22 -10.876 -9.606 -20.956 167 HB VAL 22 HB VAL 22 -10.113 -10.365 -18.143 168 HG11 VAL 22 HG11 VAL 22 -12.692 -10.503 -17.957 169 HG12 VAL 22 HG12 VAL 22 -12.720 -9.454 -19.373 170 HG13 VAL 22 HG13 VAL 22 -11.958 -8.903 -17.881 171 HG21 VAL 22 HG21 VAL 22 -11.180 -12.441 -18.631 172 HG22 VAL 22 HG22 VAL 22 -10.146 -12.108 -20.016 173 HG23 VAL 22 HG23 VAL 22 -11.878 -11.815 -20.124 174 H CYS 23 HN CYS 23 -8.620 -8.435 -18.456 175 HA CYS 23 HA CYS 23 -9.987 -5.982 -17.961 176 HB2 CYS 23 HB2 CYS 23 -7.180 -6.932 -17.440 177 HB3 CYS 23 HB1 CYS 23 -7.724 -5.278 -17.052 178 H ASN 24 HN ASN 24 -7.302 -6.830 -20.180 179 HA ASN 24 HA ASN 24 -6.804 -4.157 -20.978 180 HB2 ASN 24 HB2 ASN 24 -6.407 -6.798 -22.394 181 HB3 ASN 24 HB1 ASN 24 -5.785 -5.256 -22.984 182 HD21 ASN 24 HD21 ASN 24 -5.541 -4.717 -19.812 183 HD22 ASN 24 HD22 ASN 24 -4.022 -5.392 -19.478 184 H GLY 25 HN GLY 25 -9.317 -6.485 -21.895 185 HA2 GLY 25 HA2 GLY 25 -10.047 -4.795 -24.146 186 HA3 GLY 25 HA1 GLY 25 -10.886 -6.286 -23.716 187 H CYS 26 HN CYS 26 -10.350 -4.329 -20.991 188 HA CYS 26 HA CYS 26 -13.150 -3.747 -20.857 189 HB2 CYS 26 HB2 CYS 26 -11.789 -4.428 -18.843 190 HB3 CYS 26 HB1 CYS 26 -11.003 -2.844 -18.945 191 H GLY 27 HN GLY 27 -10.305 -1.731 -21.733 192 HA2 GLY 27 HA2 GLY 27 -10.971 0.013 -23.105 193 HA3 GLY 27 HA1 GLY 27 -12.191 0.532 -21.949 194 H ASP 28 HN ASP 28 -11.556 2.210 -20.651 195 HA ASP 28 HA ASP 28 -8.679 2.776 -20.383 196 HB2 ASP 28 HB2 ASP 28 -11.195 4.376 -19.854 197 HB3 ASP 28 HB1 ASP 28 -9.580 4.972 -19.455 198 H GLN 29 HN GLN 29 -10.619 0.811 -18.866 199 HA GLN 29 HA GLN 29 -9.979 1.676 -16.088 200 HB2 GLN 29 HB2 GLN 29 -11.748 -0.623 -16.902 201 HB3 GLN 29 HB1 GLN 29 -11.585 0.135 -15.317 202 HG2 GLN 29 HG2 GLN 29 -13.574 1.051 -16.221 203 HG3 GLN 29 HG1 GLN 29 -12.349 2.305 -16.428 204 HE21 GLN 29 HE21 GLN 29 -13.071 3.287 -18.379 205 HE22 GLN 29 HE22 GLN 29 -13.244 2.439 -19.840 206 H VAL 30 HN VAL 30 -8.390 0.189 -18.409 207 HA VAL 30 HA VAL 30 -7.682 -2.319 -17.714 208 HB VAL 30 HB VAL 30 -5.546 -0.285 -18.305 209 HG11 VAL 30 HG11 VAL 30 -5.941 -3.195 -19.004 210 HG12 VAL 30 HG12 VAL 30 -4.736 -2.516 -17.909 211 HG13 VAL 30 HG13 VAL 30 -4.644 -2.182 -19.636 212 HG21 VAL 30 HG21 VAL 30 -7.221 0.286 -19.851 213 HG22 VAL 30 HG22 VAL 30 -7.685 -1.399 -20.104 214 HG23 VAL 30 HG23 VAL 30 -6.145 -0.800 -20.726 215 H ALA 31 HN ALA 31 -6.263 0.633 -16.223 216 HA ALA 31 HA ALA 31 -4.628 -0.917 -14.524 217 HB1 ALA 31 HB1 ALA 31 -5.321 2.039 -14.394 218 HB2 ALA 31 HB2 ALA 31 -3.873 1.271 -15.023 219 HB3 ALA 31 HB3 ALA 31 -4.230 1.212 -13.294 220 H ALA 32 HN ALA 32 -7.840 0.573 -14.041 221 HA ALA 32 HA ALA 32 -8.034 0.010 -11.296 222 HB1 ALA 32 HB1 ALA 32 -9.667 1.521 -12.284 223 HB2 ALA 32 HB2 ALA 32 -10.552 0.037 -11.923 224 HB3 ALA 32 HB3 ALA 32 -9.993 0.376 -13.563 225 H CYS 33 HN CYS 33 -8.805 -1.758 -14.189 226 HA CYS 33 HA CYS 33 -10.075 -3.963 -12.953 227 HB2 CYS 33 HB2 CYS 33 -10.335 -3.391 -15.367 228 HB3 CYS 33 HB1 CYS 33 -8.693 -3.959 -15.621 229 H GLU 34 HN GLU 34 -6.748 -3.235 -13.789 230 HA GLU 34 HA GLU 34 -5.768 -5.836 -13.165 231 HB2 GLU 34 HB2 GLU 34 -4.546 -3.189 -13.897 232 HB3 GLU 34 HB1 GLU 34 -3.524 -4.470 -13.296 233 HG2 GLU 34 HG2 GLU 34 -4.047 -5.885 -15.111 234 HG3 GLU 34 HG1 GLU 34 -5.468 -4.952 -15.562 235 H ALA 35 HN ALA 35 -6.545 -2.997 -11.307 236 HA ALA 35 HA ALA 35 -4.696 -2.727 -9.361 237 HB1 ALA 35 HB1 ALA 35 -6.529 -2.012 -7.936 238 HB2 ALA 35 HB2 ALA 35 -7.644 -2.947 -8.913 239 HB3 ALA 35 HB3 ALA 35 -6.896 -1.462 -9.545 240 H GLU 36 HN GLU 36 -7.475 -4.890 -9.076 241 HA GLU 36 HA GLU 36 -6.058 -6.169 -6.820 242 HB2 GLU 36 HB2 GLU 36 -8.978 -6.279 -7.557 243 HB3 GLU 36 HB1 GLU 36 -8.242 -7.067 -6.158 244 HG2 GLU 36 HG2 GLU 36 -8.051 -4.096 -6.689 245 HG3 GLU 36 HG1 GLU 36 -9.295 -4.813 -5.669 246 H CYS 37 HN CYS 37 -5.147 -6.894 -9.432 247 HA CYS 37 HA CYS 37 -4.840 -8.699 -10.769 248 HB2 CYS 37 HB2 CYS 37 -4.798 -9.630 -8.047 249 HB3 CYS 37 HB1 CYS 37 -5.624 -10.851 -9.002 250 H PHE 38 HN PHE 38 -7.241 -7.460 -11.126 251 HA PHE 38 HA PHE 38 -9.131 -7.782 -12.269 252 HB2 PHE 38 HB2 PHE 38 -8.875 -10.769 -12.499 253 HB3 PHE 38 HB1 PHE 38 -9.228 -9.526 -13.727 254 HD1 PHE 38 HD1 PHE 38 -6.906 -11.941 -12.999 255 HD2 PHE 38 HD2 PHE 38 -7.090 -7.724 -13.710 256 HE1 PHE 38 HE1 PHE 38 -4.534 -11.948 -13.712 257 HE2 PHE 38 HE2 PHE 38 -4.748 -7.764 -14.440 258 HZ PHE 38 HZ PHE 38 -3.463 -9.854 -14.439 259 H ARG 39 HN ARG 39 -8.700 -8.585 -9.250 260 HA ARG 39 HA ARG 39 -11.285 -9.898 -8.799 261 HB2 ARG 39 HB2 ARG 39 -9.075 -10.617 -7.621 262 HB3 ARG 39 HB1 ARG 39 -9.239 -9.118 -6.705 263 HG2 ARG 39 HG2 ARG 39 -11.458 -9.806 -5.945 264 HG3 ARG 39 HG1 ARG 39 -11.318 -11.306 -6.862 265 HD2 ARG 39 HD2 ARG 39 -10.725 -11.756 -4.552 266 HD3 ARG 39 HD1 ARG 39 -9.270 -11.868 -5.539 267 HE ARG 39 HE ARG 39 -9.539 -9.226 -4.536 268 HH11 ARG 39 HH11 ARG 39 -8.216 -8.610 -2.792 269 HH12 ARG 39 HH12 ARG 39 -7.480 -9.825 -1.801 270 HH21 ARG 39 HH21 ARG 39 -8.843 -12.475 -3.575 271 HH22 ARG 39 HH22 ARG 39 -7.835 -12.013 -2.244 272 H ASN 40 HN ASN 40 -12.322 -8.022 -9.637 273 HA ASN 40 HA ASN 40 -13.144 -6.280 -7.461 274 HB2 ASN 40 HB2 ASN 40 -12.508 -4.185 -8.479 275 HB3 ASN 40 HB1 ASN 40 -11.075 -5.221 -8.359 276 HD21 ASN 40 HD21 ASN 40 -10.982 -3.177 -10.188 277 HD22 ASN 40 HD22 ASN 40 -11.156 -3.782 -11.759 278 H ASP 41 HN ASP 41 -14.884 -4.695 -8.245 279 HA ASP 41 HA ASP 41 -16.755 -6.225 -9.643 280 HB2 ASP 41 HB2 ASP 41 -17.486 -4.591 -7.930 281 HB3 ASP 41 HB1 ASP 41 -16.733 -3.288 -8.839 282 H VAL 42 HN VAL 42 -14.523 -3.654 -10.683 283 HA VAL 42 HA VAL 42 -15.763 -3.164 -13.176 284 HB VAL 42 HB VAL 42 -12.908 -2.945 -12.181 285 HG11 VAL 42 HG11 VAL 42 -12.556 -1.559 -14.267 286 HG12 VAL 42 HG12 VAL 42 -14.013 -2.320 -14.903 287 HG13 VAL 42 HG13 VAL 42 -12.608 -3.300 -14.480 288 HG21 VAL 42 HG21 VAL 42 -13.379 -0.487 -12.456 289 HG22 VAL 42 HG22 VAL 42 -14.382 -1.280 -11.232 290 HG23 VAL 42 HG23 VAL 42 -15.057 -0.906 -12.819 291 H TYR 43 HN TYR 43 -13.325 -5.527 -12.196 292 HA TYR 43 HA TYR 43 -12.856 -6.671 -14.673 293 HB2 TYR 43 HB2 TYR 43 -11.514 -7.383 -12.776 294 HB3 TYR 43 HB1 TYR 43 -12.948 -7.884 -11.887 295 HD1 TYR 43 HD1 TYR 43 -13.559 -10.136 -11.910 296 HD2 TYR 43 HD2 TYR 43 -11.171 -8.572 -15.120 297 HE1 TYR 43 HE1 TYR 43 -13.394 -12.403 -12.886 298 HE2 TYR 43 HE2 TYR 43 -11.005 -10.847 -16.087 299 HH TYR 43 HH TYR 43 -12.621 -13.042 -15.903 300 H THR 44 HN THR 44 -15.303 -7.475 -12.231 301 HA THR 44 HA THR 44 -16.511 -9.496 -13.710 302 HB THR 44 HB THR 44 -17.741 -7.627 -11.664 303 HG1 THR 44 HG1 THR 44 -16.250 -9.921 -11.668 304 HG21 THR 44 HG21 THR 44 -18.858 -10.071 -13.076 305 HG22 THR 44 HG22 THR 44 -19.588 -8.471 -12.955 306 HG23 THR 44 HG23 THR 44 -19.486 -9.503 -11.529 307 H ALA 45 HN ALA 45 -17.366 -6.065 -13.639 308 HA ALA 45 HA ALA 45 -19.529 -5.907 -15.399 309 HB1 ALA 45 HB1 ALA 45 -18.681 -3.451 -15.476 310 HB2 ALA 45 HB2 ALA 45 -17.196 -4.105 -14.789 311 HB3 ALA 45 HB3 ALA 45 -18.693 -4.135 -13.863 312 H CYS 46 HN CYS 46 -15.997 -5.642 -15.949 313 HA CYS 46 HA CYS 46 -16.246 -5.262 -18.753 314 HB2 CYS 46 HB2 CYS 46 -13.751 -6.199 -17.256 315 HB3 CYS 46 HB1 CYS 46 -13.827 -5.439 -18.860 316 H HIS 47 HN HIS 47 -15.575 -8.090 -16.737 317 HA HIS 47 HA HIS 47 -15.185 -9.879 -18.867 318 HB2 HIS 47 HB2 HIS 47 -14.465 -10.273 -16.495 319 HB3 HIS 47 HB1 HIS 47 -16.156 -10.518 -16.068 320 HD1 HIS 47 HD1 HIS 47 -14.843 -11.757 -19.346 321 HD2 HIS 47 HD2 HIS 47 -15.764 -13.302 -15.587 322 HE1 HIS 47 HE1 HIS 47 -14.828 -14.276 -19.584 323 H GLU 48 HN GLU 48 -18.044 -9.059 -16.958 324 HA GLU 48 HA GLU 48 -19.771 -10.943 -18.202 325 HB2 GLU 48 HB2 GLU 48 -20.443 -8.392 -16.729 326 HB3 GLU 48 HB1 GLU 48 -21.559 -9.673 -17.144 327 HG2 GLU 48 HG2 GLU 48 -19.080 -10.353 -15.573 328 HG3 GLU 48 HG1 GLU 48 -20.494 -9.717 -14.744 329 H ALA 49 HN ALA 49 -18.681 -7.741 -19.007 330 HA ALA 49 HA ALA 49 -20.757 -7.181 -20.865 331 HB1 ALA 49 HB1 ALA 49 -19.489 -5.401 -19.759 332 HB2 ALA 49 HB2 ALA 49 -19.359 -5.266 -21.508 333 HB3 ALA 49 HB3 ALA 49 -18.018 -5.927 -20.573 334 H GLN 50 HN GLN 50 -17.775 -8.984 -20.981 335 HA GLN 50 HA GLN 50 -17.688 -8.856 -23.914 336 HB2 GLN 50 HB2 GLN 50 -15.821 -10.053 -21.832 337 HB3 GLN 50 HB1 GLN 50 -15.560 -10.225 -23.567 338 HG2 GLN 50 HG2 GLN 50 -15.415 -7.797 -23.809 339 HG3 GLN 50 HG1 GLN 50 -15.787 -7.586 -22.098 340 HE21 GLN 50 HE21 GLN 50 -13.495 -6.426 -22.484 341 HE22 GLN 50 HE22 GLN 50 -12.148 -7.398 -22.137 342 H LYS 51 HN LYS 51 -18.309 -10.432 -25.187 343 HA LYS 51 HA LYS 51 -20.011 -12.486 -24.225 344 HB2 LYS 51 HB2 LYS 51 -18.661 -12.084 -26.904 345 HB3 LYS 51 HB1 LYS 51 -19.849 -13.345 -26.576 346 HG2 LYS 51 HG2 LYS 51 -21.526 -11.674 -25.990 347 HG3 LYS 51 HG1 LYS 51 -20.342 -10.382 -26.178 348 HD2 LYS 51 HD2 LYS 51 -21.562 -10.379 -28.216 349 HD3 LYS 51 HD1 LYS 51 -20.054 -11.209 -28.592 350 HE2 LYS 51 HE2 LYS 51 -21.115 -13.364 -28.496 351 HE3 LYS 51 HE1 LYS 51 -22.582 -12.681 -27.798 352 HZ1 LYS 51 HZ1 LYS 51 -23.323 -12.074 -29.790 353 HZ2 LYS 51 HZ2 LYS 51 -22.151 -13.128 -30.425 354 HZ3 LYS 51 HZ3 LYS 51 -21.816 -11.468 -30.284 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 5.657 -5.365 0.629 2 HA SER 1 HA SER 1 6.242 -7.318 -0.983 3 HB2 SER 1 HB2 SER 1 3.591 -5.855 -0.889 4 HB3 SER 1 HB1 SER 1 3.802 -7.499 -1.485 5 HG SER 1 HG SER 1 4.121 -8.190 0.504 6 H GLU 2 HN GLU 2 6.283 -7.880 -3.127 7 HA GLU 2 HA GLU 2 6.901 -5.840 -4.979 8 HB2 GLU 2 HB2 GLU 2 6.895 -8.741 -4.891 9 HB3 GLU 2 HB1 GLU 2 6.331 -8.167 -6.440 10 HG2 GLU 2 HG2 GLU 2 8.743 -8.434 -6.536 11 HG3 GLU 2 HG1 GLU 2 8.385 -6.709 -6.563 12 HA PRO 3 HA PRO 3 2.938 -4.954 -6.689 13 HB2 PRO 3 HB2 PRO 3 3.457 -4.268 -9.224 14 HB3 PRO 3 HB1 PRO 3 4.187 -3.388 -7.833 15 HG2 PRO 3 HG2 PRO 3 5.434 -5.405 -9.646 16 HG3 PRO 3 HG1 PRO 3 6.111 -3.910 -8.975 17 HD2 PRO 3 HD2 PRO 3 6.518 -6.471 -7.901 18 HD3 PRO 3 HD1 PRO 3 6.781 -4.946 -7.030 19 H ASP 4 HN ASP 4 3.769 -6.043 -9.789 20 HA ASP 4 HA ASP 4 1.638 -8.106 -9.813 21 HB2 ASP 4 HB2 ASP 4 1.480 -6.437 -11.553 22 HB3 ASP 4 HB1 ASP 4 3.163 -6.732 -12.029 23 H GLU 5 HN GLU 5 4.374 -8.455 -8.643 24 HA GLU 5 HA GLU 5 5.248 -10.799 -10.280 25 HB2 GLU 5 HB2 GLU 5 6.663 -9.594 -7.915 26 HB3 GLU 5 HB1 GLU 5 7.283 -10.774 -9.047 27 HG2 GLU 5 HG2 GLU 5 7.121 -9.134 -10.869 28 HG3 GLU 5 HG1 GLU 5 6.480 -7.940 -9.743 29 H ILE 6 HN ILE 6 4.135 -9.811 -7.055 30 HA ILE 6 HA ILE 6 4.210 -12.452 -5.966 31 HB ILE 6 HB ILE 6 2.456 -10.150 -5.070 32 HG12 ILE 6 HG12 ILE 6 4.735 -9.362 -5.234 33 HG13 ILE 6 HG11 ILE 6 4.367 -9.632 -3.536 34 HG21 ILE 6 HG21 ILE 6 1.876 -12.243 -3.987 35 HG22 ILE 6 HG22 ILE 6 2.794 -11.270 -2.838 36 HG23 ILE 6 HG23 ILE 6 3.576 -12.604 -3.683 37 HD11 ILE 6 HD11 ILE 6 5.386 -12.029 -3.991 38 HD12 ILE 6 HD12 ILE 6 6.457 -10.666 -3.719 39 HD13 ILE 6 HD13 ILE 6 6.148 -11.227 -5.361 40 H CYS 7 HN CYS 7 1.753 -10.514 -7.544 41 HA CYS 7 HA CYS 7 -0.409 -12.251 -7.070 42 HB2 CYS 7 HB2 CYS 7 -0.125 -9.781 -8.317 43 HB3 CYS 7 HB1 CYS 7 -0.578 -10.840 -9.650 44 H ARG 8 HN ARG 8 1.862 -12.092 -9.727 45 HA ARG 8 HA ARG 8 0.696 -14.110 -11.311 46 HB2 ARG 8 HB2 ARG 8 2.416 -12.424 -12.048 47 HB3 ARG 8 HB1 ARG 8 3.627 -13.438 -11.260 48 HG2 ARG 8 HG2 ARG 8 2.808 -15.376 -12.631 49 HG3 ARG 8 HG1 ARG 8 1.750 -14.259 -13.495 50 HD2 ARG 8 HD2 ARG 8 4.769 -14.146 -13.359 51 HD3 ARG 8 HD1 ARG 8 3.793 -14.548 -14.771 52 HE ARG 8 HE ARG 8 4.226 -11.887 -13.651 53 HH11 ARG 8 HH11 ARG 8 3.471 -10.183 -14.934 54 HH12 ARG 8 HH12 ARG 8 2.440 -10.512 -16.285 55 HH21 ARG 8 HH21 ARG 8 2.420 -13.943 -15.775 56 HH22 ARG 8 HH22 ARG 8 1.842 -12.641 -16.760 57 H ALA 9 HN ALA 9 3.174 -14.194 -8.808 58 HA ALA 9 HA ALA 9 3.948 -16.854 -9.120 59 HB1 ALA 9 HB1 ALA 9 5.216 -15.121 -7.825 60 HB2 ALA 9 HB2 ALA 9 5.017 -16.518 -6.876 61 HB3 ALA 9 HB3 ALA 9 3.973 -15.262 -6.542 62 H ARG 10 HN ARG 10 0.989 -15.597 -7.953 63 HA ARG 10 HA ARG 10 0.437 -17.937 -6.270 64 HB2 ARG 10 HB2 ARG 10 -0.360 -15.114 -6.319 65 HB3 ARG 10 HB1 ARG 10 -1.735 -16.203 -6.056 66 HG2 ARG 10 HG2 ARG 10 -0.501 -17.267 -4.193 67 HG3 ARG 10 HG1 ARG 10 0.849 -16.164 -4.458 68 HD2 ARG 10 HD2 ARG 10 -0.605 -14.247 -3.973 69 HD3 ARG 10 HD1 ARG 10 -1.975 -15.331 -3.746 70 HE ARG 10 HE ARG 10 0.053 -16.189 -2.024 71 HH11 ARG 10 HH11 ARG 10 0.018 -15.571 0.158 72 HH12 ARG 10 HH12 ARG 10 -0.868 -14.163 0.639 73 HH21 ARG 10 HH21 ARG 10 -1.956 -13.431 -2.571 74 HH22 ARG 10 HH22 ARG 10 -1.987 -12.949 -0.908 75 H MET 11 HN MET 11 -0.123 -16.712 -9.384 76 HA MET 11 HA MET 11 -2.424 -18.521 -9.743 77 HB2 MET 11 HB2 MET 11 -3.143 -16.914 -11.601 78 HB3 MET 11 HB1 MET 11 -3.324 -16.348 -9.944 79 HG2 MET 11 HG2 MET 11 -0.776 -15.501 -10.511 80 HG3 MET 11 HG1 MET 11 -1.525 -15.358 -12.081 81 HE1 MET 11 HE1 MET 11 -4.515 -13.133 -11.585 82 HE2 MET 11 HE2 MET 11 -4.707 -14.748 -10.916 83 HE3 MET 11 HE3 MET 11 -3.797 -14.524 -12.408 84 H THR 12 HN THR 12 -2.621 -19.471 -11.863 85 HA THR 12 HA THR 12 -0.085 -20.331 -12.930 86 HB THR 12 HB THR 12 -1.568 -21.470 -14.639 87 HG1 THR 12 HG1 THR 12 -3.592 -20.462 -12.928 88 HG21 THR 12 HG21 THR 12 -1.980 -21.838 -11.668 89 HG22 THR 12 HG22 THR 12 -0.874 -22.716 -12.724 90 HG23 THR 12 HG23 THR 12 -2.614 -22.968 -12.865 91 H HIS 13 HN HIS 13 0.478 -20.149 -15.235 92 HA HIS 13 HA HIS 13 0.441 -17.426 -16.125 93 HB2 HIS 13 HB2 HIS 13 2.278 -19.116 -16.603 94 HB3 HIS 13 HB1 HIS 13 1.172 -19.879 -17.745 95 HD1 HIS 13 HD1 HIS 13 2.285 -19.237 -19.925 96 HD2 HIS 13 HD2 HIS 13 1.651 -15.943 -17.449 97 HE1 HIS 13 HE1 HIS 13 2.844 -17.187 -21.303 98 H LYS 14 HN LYS 14 -1.291 -20.341 -17.242 99 HA LYS 14 HA LYS 14 -2.549 -19.114 -19.409 100 HB2 LYS 14 HB2 LYS 14 -4.144 -20.961 -19.284 101 HB3 LYS 14 HB1 LYS 14 -2.530 -21.578 -18.919 102 HG2 LYS 14 HG2 LYS 14 -3.075 -21.186 -16.460 103 HG3 LYS 14 HG1 LYS 14 -4.744 -20.929 -16.961 104 HD2 LYS 14 HD2 LYS 14 -3.157 -23.426 -17.611 105 HD3 LYS 14 HD1 LYS 14 -4.249 -23.285 -16.234 106 HE2 LYS 14 HE2 LYS 14 -6.051 -22.601 -17.918 107 HE3 LYS 14 HE1 LYS 14 -4.941 -23.147 -19.173 108 HZ1 LYS 14 HZ1 LYS 14 -6.663 -24.692 -17.641 109 HZ2 LYS 14 HZ2 LYS 14 -5.090 -25.084 -17.135 110 HZ3 LYS 14 HZ3 LYS 14 -5.518 -25.229 -18.772 111 H GLU 15 HN GLU 15 -3.519 -19.294 -16.016 112 HA GLU 15 HA GLU 15 -6.051 -18.057 -16.397 113 HB2 GLU 15 HB2 GLU 15 -5.425 -19.417 -14.407 114 HB3 GLU 15 HB1 GLU 15 -4.360 -18.110 -13.893 115 HG2 GLU 15 HG2 GLU 15 -6.249 -16.566 -13.777 116 HG3 GLU 15 HG1 GLU 15 -7.335 -17.816 -14.378 117 H PHE 16 HN PHE 16 -2.876 -16.852 -15.442 118 HA PHE 16 HA PHE 16 -3.596 -14.166 -14.958 119 HB2 PHE 16 HB2 PHE 16 -1.398 -15.188 -14.340 120 HB3 PHE 16 HB1 PHE 16 -0.959 -15.169 -16.048 121 HD1 PHE 16 HD1 PHE 16 -2.193 -12.916 -13.314 122 HD2 PHE 16 HD2 PHE 16 0.048 -13.252 -16.967 123 HE1 PHE 16 HE1 PHE 16 -1.487 -10.547 -13.103 124 HE2 PHE 16 HE2 PHE 16 0.743 -10.881 -16.756 125 HZ PHE 16 HZ PHE 16 -0.020 -9.530 -14.823 126 H ASN 17 HN ASN 17 -2.457 -15.739 -17.970 127 HA ASN 17 HA ASN 17 -2.504 -13.372 -19.552 128 HB2 ASN 17 HB2 ASN 17 -2.688 -16.318 -20.196 129 HB3 ASN 17 HB1 ASN 17 -2.683 -15.077 -21.444 130 HD21 ASN 17 HD21 ASN 17 -0.566 -16.936 -21.363 131 HD22 ASN 17 HD22 ASN 17 0.849 -16.143 -20.868 132 H TYR 18 HN TYR 18 -4.970 -15.840 -18.906 133 HA TYR 18 HA TYR 18 -6.860 -14.955 -20.762 134 HB2 TYR 18 HB2 TYR 18 -7.096 -17.080 -19.738 135 HB3 TYR 18 HB1 TYR 18 -7.211 -16.359 -18.114 136 HD1 TYR 18 HD1 TYR 18 -9.204 -14.885 -17.588 137 HD2 TYR 18 HD2 TYR 18 -8.989 -17.267 -21.152 138 HE1 TYR 18 HE1 TYR 18 -11.650 -14.633 -17.899 139 HE2 TYR 18 HE2 TYR 18 -11.436 -17.017 -21.465 140 HH TYR 18 HH TYR 18 -13.219 -14.813 -20.293 141 H LYS 19 HN LYS 19 -6.648 -14.246 -17.327 142 HA LYS 19 HA LYS 19 -8.817 -12.434 -17.227 143 HB2 LYS 19 HB2 LYS 19 -6.408 -12.550 -15.404 144 HB3 LYS 19 HB1 LYS 19 -7.976 -11.821 -15.060 145 HG2 LYS 19 HG2 LYS 19 -7.766 -14.741 -15.767 146 HG3 LYS 19 HG1 LYS 19 -7.502 -14.195 -14.115 147 HD2 LYS 19 HD2 LYS 19 -9.731 -13.134 -14.104 148 HD3 LYS 19 HD1 LYS 19 -10.008 -13.688 -15.751 149 HE2 LYS 19 HE2 LYS 19 -9.788 -16.026 -15.020 150 HE3 LYS 19 HE1 LYS 19 -9.497 -15.483 -13.367 151 HZ1 LYS 19 HZ1 LYS 19 -11.800 -16.074 -13.648 152 HZ2 LYS 19 HZ2 LYS 19 -11.954 -15.011 -14.964 153 HZ3 LYS 19 HZ3 LYS 19 -11.675 -14.401 -13.403 154 H SER 20 HN SER 20 -5.366 -11.995 -17.765 155 HA SER 20 HA SER 20 -5.355 -9.181 -17.605 156 HB2 SER 20 HB2 SER 20 -3.599 -10.986 -19.306 157 HB3 SER 20 HB1 SER 20 -3.250 -9.310 -18.890 158 HG SER 20 HG SER 20 -3.835 -10.808 -16.704 159 H ASN 21 HN ASN 21 -5.972 -11.312 -20.298 160 HA ASN 21 HA ASN 21 -6.334 -9.295 -22.282 161 HB2 ASN 21 HB2 ASN 21 -7.190 -12.172 -22.014 162 HB3 ASN 21 HB1 ASN 21 -7.841 -11.154 -23.305 163 HD21 ASN 21 HD21 ASN 21 -5.785 -13.489 -23.262 164 HD22 ASN 21 HD22 ASN 21 -4.479 -12.868 -24.151 165 H VAL 22 HN VAL 22 -8.504 -10.684 -19.880 166 HA VAL 22 HA VAL 22 -10.913 -9.573 -20.895 167 HB VAL 22 HB VAL 22 -10.132 -10.329 -18.086 168 HG11 VAL 22 HG11 VAL 22 -11.989 -8.861 -17.862 169 HG12 VAL 22 HG12 VAL 22 -12.688 -10.479 -17.872 170 HG13 VAL 22 HG13 VAL 22 -12.755 -9.483 -19.324 171 HG21 VAL 22 HG21 VAL 22 -11.165 -12.419 -18.566 172 HG22 VAL 22 HG22 VAL 22 -10.159 -12.072 -19.970 173 HG23 VAL 22 HG23 VAL 22 -11.896 -11.799 -20.047 174 H CYS 23 HN CYS 23 -8.642 -8.421 -18.397 175 HA CYS 23 HA CYS 23 -10.003 -5.950 -17.900 176 HB2 CYS 23 HB2 CYS 23 -7.198 -6.936 -17.364 177 HB3 CYS 23 HB1 CYS 23 -7.724 -5.268 -16.991 178 H ASN 24 HN ASN 24 -7.403 -6.853 -20.165 179 HA ASN 24 HA ASN 24 -6.882 -4.175 -20.962 180 HB2 ASN 24 HB2 ASN 24 -6.462 -6.843 -22.331 181 HB3 ASN 24 HB1 ASN 24 -5.898 -5.307 -22.989 182 HD21 ASN 24 HD21 ASN 24 -4.124 -7.459 -22.181 183 HD22 ASN 24 HD22 ASN 24 -3.200 -6.891 -20.875 184 H GLY 25 HN GLY 25 -9.395 -6.483 -21.861 185 HA2 GLY 25 HA2 GLY 25 -10.136 -4.823 -24.129 186 HA3 GLY 25 HA1 GLY 25 -10.977 -6.289 -23.650 187 H CYS 26 HN CYS 26 -10.422 -4.334 -20.963 188 HA CYS 26 HA CYS 26 -13.224 -3.741 -20.834 189 HB2 CYS 26 HB2 CYS 26 -11.873 -4.441 -18.811 190 HB3 CYS 26 HB1 CYS 26 -11.078 -2.858 -18.898 191 H GLY 27 HN GLY 27 -10.395 -1.772 -21.730 192 HA2 GLY 27 HA2 GLY 27 -11.069 0.028 -23.085 193 HA3 GLY 27 HA1 GLY 27 -12.232 0.542 -21.890 194 H ASP 28 HN ASP 28 -11.572 2.209 -20.642 195 HA ASP 28 HA ASP 28 -8.687 2.739 -20.397 196 HB2 ASP 28 HB2 ASP 28 -11.159 4.392 -19.844 197 HB3 ASP 28 HB1 ASP 28 -9.523 4.949 -19.476 198 H GLN 29 HN GLN 29 -10.617 0.803 -18.852 199 HA GLN 29 HA GLN 29 -9.933 1.679 -16.086 200 HB2 GLN 29 HB2 GLN 29 -11.722 -0.618 -16.882 201 HB3 GLN 29 HB1 GLN 29 -11.529 0.131 -15.296 202 HG2 GLN 29 HG2 GLN 29 -12.668 1.470 -17.755 203 HG3 GLN 29 HG1 GLN 29 -13.583 0.938 -16.341 204 HE21 GLN 29 HE21 GLN 29 -12.702 3.741 -17.618 205 HE22 GLN 29 HE22 GLN 29 -12.261 4.622 -16.236 206 H VAL 30 HN VAL 30 -8.380 0.175 -18.429 207 HA VAL 30 HA VAL 30 -7.689 -2.326 -17.734 208 HB VAL 30 HB VAL 30 -5.541 -0.294 -18.342 209 HG11 VAL 30 HG11 VAL 30 -4.723 -2.532 -17.971 210 HG12 VAL 30 HG12 VAL 30 -4.667 -2.211 -19.703 211 HG13 VAL 30 HG13 VAL 30 -5.955 -3.211 -19.035 212 HG21 VAL 30 HG21 VAL 30 -7.706 -1.394 -20.125 213 HG22 VAL 30 HG22 VAL 30 -6.171 -0.808 -20.770 214 HG23 VAL 30 HG23 VAL 30 -7.231 0.287 -19.884 215 H ALA 31 HN ALA 31 -6.232 0.612 -16.258 216 HA ALA 31 HA ALA 31 -4.596 -0.934 -14.555 217 HB1 ALA 31 HB1 ALA 31 -4.057 1.111 -13.413 218 HB2 ALA 31 HB2 ALA 31 -5.309 2.013 -14.277 219 HB3 ALA 31 HB3 ALA 31 -3.952 1.325 -15.154 220 H ALA 32 HN ALA 32 -7.784 0.580 -14.070 221 HA ALA 32 HA ALA 32 -7.993 0.033 -11.317 222 HB1 ALA 32 HB1 ALA 32 -9.944 0.432 -13.579 223 HB2 ALA 32 HB2 ALA 32 -9.636 1.542 -12.264 224 HB3 ALA 32 HB3 ALA 32 -10.517 0.037 -11.960 225 H CYS 33 HN CYS 33 -8.829 -1.745 -14.198 226 HA CYS 33 HA CYS 33 -10.107 -3.920 -12.922 227 HB2 CYS 33 HB2 CYS 33 -10.397 -3.347 -15.329 228 HB3 CYS 33 HB1 CYS 33 -8.761 -3.919 -15.612 229 H GLU 34 HN GLU 34 -6.773 -3.224 -13.814 230 HA GLU 34 HA GLU 34 -5.809 -5.838 -13.194 231 HB2 GLU 34 HB2 GLU 34 -4.570 -3.206 -13.965 232 HB3 GLU 34 HB1 GLU 34 -3.545 -4.495 -13.383 233 HG2 GLU 34 HG2 GLU 34 -4.214 -5.932 -15.175 234 HG3 GLU 34 HG1 GLU 34 -5.548 -4.885 -15.630 235 H ALA 35 HN ALA 35 -6.500 -2.983 -11.338 236 HA ALA 35 HA ALA 35 -4.631 -2.753 -9.425 237 HB1 ALA 35 HB1 ALA 35 -6.821 -1.426 -9.541 238 HB2 ALA 35 HB2 ALA 35 -6.448 -2.010 -7.955 239 HB3 ALA 35 HB3 ALA 35 -7.592 -2.903 -8.936 240 H GLU 36 HN GLU 36 -7.407 -4.882 -9.113 241 HA GLU 36 HA GLU 36 -6.000 -6.181 -6.867 242 HB2 GLU 36 HB2 GLU 36 -8.929 -6.233 -7.587 243 HB3 GLU 36 HB1 GLU 36 -8.206 -7.051 -6.204 244 HG2 GLU 36 HG2 GLU 36 -8.009 -4.071 -6.692 245 HG3 GLU 36 HG1 GLU 36 -9.210 -4.816 -5.641 246 H CYS 37 HN CYS 37 -5.105 -6.910 -9.452 247 HA CYS 37 HA CYS 37 -4.813 -8.702 -10.797 248 HB2 CYS 37 HB2 CYS 37 -4.766 -9.617 -8.080 249 HB3 CYS 37 HB1 CYS 37 -5.619 -10.838 -9.005 250 H PHE 38 HN PHE 38 -7.206 -7.466 -11.173 251 HA PHE 38 HA PHE 38 -9.107 -7.778 -12.302 252 HB2 PHE 38 HB2 PHE 38 -8.878 -10.762 -12.528 253 HB3 PHE 38 HB1 PHE 38 -9.194 -9.511 -13.757 254 HD1 PHE 38 HD1 PHE 38 -6.918 -11.967 -12.934 255 HD2 PHE 38 HD2 PHE 38 -7.026 -7.760 -13.769 256 HE1 PHE 38 HE1 PHE 38 -4.533 -12.034 -13.620 257 HE2 PHE 38 HE2 PHE 38 -4.662 -7.857 -14.452 258 HZ PHE 38 HZ PHE 38 -3.413 -9.966 -14.384 259 H ARG 39 HN ARG 39 -8.680 -8.527 -9.288 260 HA ARG 39 HA ARG 39 -11.284 -9.825 -8.822 261 HB2 ARG 39 HB2 ARG 39 -9.119 -10.575 -7.633 262 HB3 ARG 39 HB1 ARG 39 -9.221 -9.057 -6.746 263 HG2 ARG 39 HG2 ARG 39 -11.485 -9.658 -5.978 264 HG3 ARG 39 HG1 ARG 39 -11.356 -11.194 -6.837 265 HD2 ARG 39 HD2 ARG 39 -9.458 -10.281 -4.659 266 HD3 ARG 39 HD1 ARG 39 -10.799 -11.395 -4.411 267 HE ARG 39 HE ARG 39 -8.270 -11.988 -5.705 268 HH11 ARG 39 HH11 ARG 39 -7.983 -14.162 -6.298 269 HH12 ARG 39 HH12 ARG 39 -9.342 -15.237 -6.310 270 HH21 ARG 39 HH21 ARG 39 -11.602 -12.813 -5.288 271 HH22 ARG 39 HH22 ARG 39 -11.392 -14.473 -5.738 272 H ASN 40 HN ASN 40 -12.296 -7.921 -9.685 273 HA ASN 40 HA ASN 40 -13.049 -6.135 -7.514 274 HB2 ASN 40 HB2 ASN 40 -12.473 -4.059 -8.768 275 HB3 ASN 40 HB1 ASN 40 -11.064 -5.036 -8.336 276 HD21 ASN 40 HD21 ASN 40 -9.605 -5.178 -10.014 277 HD22 ASN 40 HD22 ASN 40 -10.009 -5.192 -11.662 278 H ASP 41 HN ASP 41 -14.792 -4.564 -8.249 279 HA ASP 41 HA ASP 41 -16.699 -6.095 -9.574 280 HB2 ASP 41 HB2 ASP 41 -16.784 -3.111 -8.958 281 HB3 ASP 41 HB1 ASP 41 -18.193 -4.131 -9.267 282 H VAL 42 HN VAL 42 -14.451 -3.648 -10.710 283 HA VAL 42 HA VAL 42 -15.780 -3.123 -13.174 284 HB VAL 42 HB VAL 42 -12.887 -2.926 -12.280 285 HG11 VAL 42 HG11 VAL 42 -12.709 -3.308 -14.614 286 HG12 VAL 42 HG12 VAL 42 -12.627 -1.568 -14.414 287 HG13 VAL 42 HG13 VAL 42 -14.121 -2.309 -14.960 288 HG21 VAL 42 HG21 VAL 42 -14.395 -1.267 -11.309 289 HG22 VAL 42 HG22 VAL 42 -15.012 -0.859 -12.912 290 HG23 VAL 42 HG23 VAL 42 -13.334 -0.488 -12.492 291 H TYR 43 HN TYR 43 -13.359 -5.519 -12.248 292 HA TYR 43 HA TYR 43 -12.883 -6.686 -14.712 293 HB2 TYR 43 HB2 TYR 43 -11.575 -7.392 -12.801 294 HB3 TYR 43 HB1 TYR 43 -13.023 -7.876 -11.923 295 HD1 TYR 43 HD1 TYR 43 -13.808 -10.099 -12.057 296 HD2 TYR 43 HD2 TYR 43 -11.079 -8.624 -15.030 297 HE1 TYR 43 HE1 TYR 43 -13.648 -12.373 -13.039 298 HE2 TYR 43 HE2 TYR 43 -10.919 -10.898 -16.000 299 HH TYR 43 HH TYR 43 -12.269 -12.953 -16.091 300 H THR 44 HN THR 44 -15.324 -7.567 -12.291 301 HA THR 44 HA THR 44 -16.488 -9.592 -13.817 302 HB THR 44 HB THR 44 -17.224 -9.604 -11.651 303 HG1 THR 44 HG1 THR 44 -19.433 -8.256 -12.624 304 HG21 THR 44 HG21 THR 44 -16.617 -7.190 -11.294 305 HG22 THR 44 HG22 THR 44 -18.011 -7.771 -10.394 306 HG23 THR 44 HG23 THR 44 -18.240 -6.807 -11.852 307 H ALA 45 HN ALA 45 -17.399 -6.202 -13.620 308 HA ALA 45 HA ALA 45 -19.576 -6.014 -15.357 309 HB1 ALA 45 HB1 ALA 45 -18.765 -4.281 -13.824 310 HB2 ALA 45 HB2 ALA 45 -18.796 -3.563 -15.391 311 HB3 ALA 45 HB3 ALA 45 -17.287 -4.164 -14.749 312 H CYS 46 HN CYS 46 -16.060 -5.700 -15.976 313 HA CYS 46 HA CYS 46 -16.346 -5.280 -18.774 314 HB2 CYS 46 HB2 CYS 46 -13.853 -6.209 -17.284 315 HB3 CYS 46 HB1 CYS 46 -13.935 -5.446 -18.888 316 H HIS 47 HN HIS 47 -15.636 -8.122 -16.793 317 HA HIS 47 HA HIS 47 -15.252 -9.893 -18.952 318 HB2 HIS 47 HB2 HIS 47 -14.557 -10.287 -16.558 319 HB3 HIS 47 HB1 HIS 47 -16.249 -10.579 -16.176 320 HD1 HIS 47 HD1 HIS 47 -16.559 -13.053 -15.994 321 HD2 HIS 47 HD2 HIS 47 -14.075 -12.047 -19.188 322 HE1 HIS 47 HE1 HIS 47 -16.016 -15.219 -17.191 323 H GLU 48 HN GLU 48 -18.107 -9.064 -17.034 324 HA GLU 48 HA GLU 48 -19.858 -10.927 -18.276 325 HB2 GLU 48 HB2 GLU 48 -20.508 -8.362 -16.815 326 HB3 GLU 48 HB1 GLU 48 -21.638 -9.625 -17.221 327 HG2 GLU 48 HG2 GLU 48 -19.172 -10.370 -15.665 328 HG3 GLU 48 HG1 GLU 48 -20.532 -9.635 -14.824 329 H ALA 49 HN ALA 49 -18.749 -7.739 -19.084 330 HA ALA 49 HA ALA 49 -20.821 -7.166 -20.946 331 HB1 ALA 49 HB1 ALA 49 -19.490 -5.236 -21.557 332 HB2 ALA 49 HB2 ALA 49 -18.069 -5.919 -20.769 333 HB3 ALA 49 HB3 ALA 49 -19.460 -5.426 -19.806 334 H GLN 50 HN GLN 50 -17.851 -8.982 -21.053 335 HA GLN 50 HA GLN 50 -17.758 -8.874 -23.987 336 HB2 GLN 50 HB2 GLN 50 -15.900 -10.107 -21.908 337 HB3 GLN 50 HB1 GLN 50 -15.636 -10.225 -23.649 338 HG2 GLN 50 HG2 GLN 50 -15.908 -7.604 -22.159 339 HG3 GLN 50 HG1 GLN 50 -14.360 -8.360 -22.539 340 HE21 GLN 50 HE21 GLN 50 -16.283 -5.959 -23.643 341 HE22 GLN 50 HE22 GLN 50 -15.969 -6.062 -25.307 342 H LYS 51 HN LYS 51 -18.252 -10.516 -25.278 343 HA LYS 51 HA LYS 51 -19.893 -12.634 -24.178 344 HB2 LYS 51 HB2 LYS 51 -19.048 -11.960 -27.008 345 HB3 LYS 51 HB1 LYS 51 -20.131 -13.289 -26.590 346 HG2 LYS 51 HG2 LYS 51 -21.689 -11.703 -25.535 347 HG3 LYS 51 HG1 LYS 51 -20.606 -10.368 -25.930 348 HD2 LYS 51 HD2 LYS 51 -20.856 -10.879 -28.336 349 HD3 LYS 51 HD1 LYS 51 -21.952 -12.203 -27.937 350 HE2 LYS 51 HE2 LYS 51 -23.506 -10.615 -26.879 351 HE3 LYS 51 HE1 LYS 51 -22.408 -9.285 -27.247 352 HZ1 LYS 51 HZ1 LYS 51 -23.186 -10.993 -29.472 353 HZ2 LYS 51 HZ2 LYS 51 -22.951 -9.311 -29.421 354 HZ3 LYS 51 HZ3 LYS 51 -24.396 -9.988 -28.838 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 6.130 -2.527 -12.951 2 HA SER 1 HA SER 1 3.729 -0.825 -13.031 3 HB2 SER 1 HB2 SER 1 3.913 -3.785 -13.633 4 HB3 SER 1 HB1 SER 1 2.427 -3.013 -13.081 5 HG SER 1 HG SER 1 3.089 -3.194 -15.501 6 H GLU 2 HN GLU 2 2.231 -1.963 -11.271 7 HA GLU 2 HA GLU 2 3.653 -1.754 -8.836 8 HB2 GLU 2 HB2 GLU 2 0.848 -2.537 -9.565 9 HB3 GLU 2 HB1 GLU 2 1.405 -2.731 -7.904 10 HG2 GLU 2 HG2 GLU 2 1.861 -0.401 -7.682 11 HG3 GLU 2 HG1 GLU 2 1.675 -0.126 -9.414 12 HA PRO 3 HA PRO 3 5.138 -5.888 -7.953 13 HB2 PRO 3 HB2 PRO 3 3.580 -5.824 -5.421 14 HB3 PRO 3 HB1 PRO 3 5.319 -6.065 -5.667 15 HG2 PRO 3 HG2 PRO 3 4.203 -3.743 -4.723 16 HG3 PRO 3 HG1 PRO 3 5.775 -3.858 -5.527 17 HD2 PRO 3 HD2 PRO 3 3.302 -2.630 -6.536 18 HD3 PRO 3 HD1 PRO 3 4.959 -2.517 -7.165 19 H ASP 4 HN ASP 4 3.922 -6.345 -9.586 20 HA ASP 4 HA ASP 4 1.549 -8.052 -9.294 21 HB2 ASP 4 HB2 ASP 4 1.528 -6.904 -11.368 22 HB3 ASP 4 HB1 ASP 4 3.217 -7.295 -11.707 23 H GLU 5 HN GLU 5 5.167 -8.473 -9.426 24 HA GLU 5 HA GLU 5 5.306 -11.083 -10.328 25 HB2 GLU 5 HB2 GLU 5 6.819 -10.045 -7.950 26 HB3 GLU 5 HB1 GLU 5 7.320 -11.248 -9.137 27 HG2 GLU 5 HG2 GLU 5 7.225 -9.544 -10.917 28 HG3 GLU 5 HG1 GLU 5 6.807 -8.327 -9.715 29 H ILE 6 HN ILE 6 4.368 -10.026 -7.093 30 HA ILE 6 HA ILE 6 4.243 -12.610 -5.931 31 HB ILE 6 HB ILE 6 2.606 -10.173 -5.195 32 HG12 ILE 6 HG12 ILE 6 4.933 -9.503 -5.334 33 HG13 ILE 6 HG11 ILE 6 4.510 -9.676 -3.633 34 HG21 ILE 6 HG21 ILE 6 2.680 -11.155 -2.934 35 HG22 ILE 6 HG22 ILE 6 3.601 -12.525 -3.553 36 HG23 ILE 6 HG23 ILE 6 1.936 -12.271 -4.079 37 HD11 ILE 6 HD11 ILE 6 6.566 -10.790 -3.756 38 HD12 ILE 6 HD12 ILE 6 6.219 -11.462 -5.349 39 HD13 ILE 6 HD13 ILE 6 5.422 -12.120 -3.920 40 H CYS 7 HN CYS 7 1.839 -10.584 -7.551 41 HA CYS 7 HA CYS 7 -0.353 -12.285 -7.061 42 HB2 CYS 7 HB2 CYS 7 -0.062 -9.812 -8.286 43 HB3 CYS 7 HB1 CYS 7 -0.507 -10.848 -9.640 44 H ARG 8 HN ARG 8 1.919 -12.173 -9.706 45 HA ARG 8 HA ARG 8 0.724 -14.204 -11.271 46 HB2 ARG 8 HB2 ARG 8 3.531 -13.132 -11.209 47 HB3 ARG 8 HB1 ARG 8 3.003 -14.375 -12.347 48 HG2 ARG 8 HG2 ARG 8 1.210 -12.886 -13.154 49 HG3 ARG 8 HG1 ARG 8 1.732 -11.638 -12.020 50 HD2 ARG 8 HD2 ARG 8 3.937 -11.568 -13.108 51 HD3 ARG 8 HD1 ARG 8 3.427 -12.825 -14.231 52 HE ARG 8 HE ARG 8 1.679 -10.538 -14.267 53 HH11 ARG 8 HH11 ARG 8 1.771 -9.241 -16.132 54 HH12 ARG 8 HH12 ARG 8 3.097 -9.411 -17.233 55 HH21 ARG 8 HH21 ARG 8 4.662 -11.888 -15.378 56 HH22 ARG 8 HH22 ARG 8 4.735 -10.910 -16.807 57 H ALA 9 HN ALA 9 3.194 -14.324 -8.769 58 HA ALA 9 HA ALA 9 3.956 -16.973 -9.073 59 HB1 ALA 9 HB1 ALA 9 3.886 -15.366 -6.509 60 HB2 ALA 9 HB2 ALA 9 5.163 -15.202 -7.788 61 HB3 ALA 9 HB3 ALA 9 5.016 -16.586 -6.830 62 H ARG 10 HN ARG 10 0.960 -15.714 -7.943 63 HA ARG 10 HA ARG 10 0.406 -18.074 -6.267 64 HB2 ARG 10 HB2 ARG 10 0.054 -15.853 -5.266 65 HB3 ARG 10 HB1 ARG 10 -1.077 -15.445 -6.550 66 HG2 ARG 10 HG2 ARG 10 -2.592 -17.199 -5.858 67 HG3 ARG 10 HG1 ARG 10 -1.421 -17.809 -4.688 68 HD2 ARG 10 HD2 ARG 10 -1.575 -15.718 -3.422 69 HD3 ARG 10 HD1 ARG 10 -2.676 -15.051 -4.625 70 HE ARG 10 HE ARG 10 -4.389 -16.389 -3.757 71 HH11 ARG 10 HH11 ARG 10 -5.242 -17.745 -2.147 72 HH12 ARG 10 HH12 ARG 10 -4.177 -18.551 -1.047 73 HH21 ARG 10 HH21 ARG 10 -1.295 -17.239 -2.457 74 HH22 ARG 10 HH22 ARG 10 -1.942 -18.265 -1.221 75 H MET 11 HN MET 11 -0.149 -16.798 -9.359 76 HA MET 11 HA MET 11 -2.462 -18.583 -9.759 77 HB2 MET 11 HB2 MET 11 -3.142 -16.950 -11.619 78 HB3 MET 11 HB1 MET 11 -3.356 -16.409 -9.957 79 HG2 MET 11 HG2 MET 11 -0.800 -15.553 -10.452 80 HG3 MET 11 HG1 MET 11 -1.511 -15.389 -12.033 81 HE1 MET 11 HE1 MET 11 -4.542 -13.247 -11.583 82 HE2 MET 11 HE2 MET 11 -4.794 -14.720 -10.658 83 HE3 MET 11 HE3 MET 11 -3.939 -14.792 -12.196 84 H THR 12 HN THR 12 -2.645 -19.519 -11.898 85 HA THR 12 HA THR 12 -0.100 -20.366 -12.981 86 HB THR 12 HB THR 12 -1.447 -21.655 -14.547 87 HG1 THR 12 HG1 THR 12 -3.184 -20.607 -15.128 88 HG21 THR 12 HG21 THR 12 -2.730 -21.633 -11.806 89 HG22 THR 12 HG22 THR 12 -1.189 -22.406 -12.174 90 HG23 THR 12 HG23 THR 12 -2.672 -22.989 -12.932 91 H HIS 13 HN HIS 13 0.446 -20.141 -15.302 92 HA HIS 13 HA HIS 13 0.371 -17.408 -16.154 93 HB2 HIS 13 HB2 HIS 13 1.228 -19.947 -17.567 94 HB3 HIS 13 HB1 HIS 13 1.396 -18.338 -18.269 95 HD1 HIS 13 HD1 HIS 13 2.877 -16.606 -16.794 96 HD2 HIS 13 HD2 HIS 13 3.274 -20.639 -15.820 97 HE1 HIS 13 HE1 HIS 13 4.998 -16.805 -15.425 98 H LYS 14 HN LYS 14 -1.423 -20.296 -17.245 99 HA LYS 14 HA LYS 14 -2.704 -19.026 -19.371 100 HB2 LYS 14 HB2 LYS 14 -2.726 -21.370 -19.226 101 HB3 LYS 14 HB1 LYS 14 -3.482 -21.332 -17.600 102 HG2 LYS 14 HG2 LYS 14 -5.546 -20.432 -18.598 103 HG3 LYS 14 HG1 LYS 14 -4.784 -20.402 -20.188 104 HD2 LYS 14 HD2 LYS 14 -4.549 -22.863 -20.106 105 HD3 LYS 14 HD1 LYS 14 -5.326 -22.875 -18.519 106 HE2 LYS 14 HE2 LYS 14 -7.351 -21.885 -19.480 107 HE3 LYS 14 HE1 LYS 14 -6.582 -21.814 -21.064 108 HZ1 LYS 14 HZ1 LYS 14 -6.608 -24.102 -21.271 109 HZ2 LYS 14 HZ2 LYS 14 -8.102 -23.782 -20.528 110 HZ3 LYS 14 HZ3 LYS 14 -6.800 -24.366 -19.606 111 H GLU 15 HN GLU 15 -3.638 -19.266 -15.964 112 HA GLU 15 HA GLU 15 -6.141 -17.979 -16.315 113 HB2 GLU 15 HB2 GLU 15 -4.344 -18.467 -13.948 114 HB3 GLU 15 HB1 GLU 15 -5.847 -17.555 -13.787 115 HG2 GLU 15 HG2 GLU 15 -7.141 -19.403 -14.615 116 HG3 GLU 15 HG1 GLU 15 -5.684 -20.312 -15.025 117 H PHE 16 HN PHE 16 -2.946 -16.847 -15.333 118 HA PHE 16 HA PHE 16 -3.630 -14.164 -14.854 119 HB2 PHE 16 HB2 PHE 16 -1.443 -15.245 -14.252 120 HB3 PHE 16 HB1 PHE 16 -0.994 -15.141 -15.951 121 HD1 PHE 16 HD1 PHE 16 -1.891 -13.138 -12.944 122 HD2 PHE 16 HD2 PHE 16 -0.356 -13.066 -16.957 123 HE1 PHE 16 HE1 PHE 16 -1.188 -10.779 -12.633 124 HE2 PHE 16 HE2 PHE 16 0.344 -10.707 -16.645 125 HZ PHE 16 HZ PHE 16 -0.069 -9.565 -14.483 126 H ASN 17 HN ASN 17 -2.461 -15.723 -17.861 127 HA ASN 17 HA ASN 17 -2.474 -13.353 -19.428 128 HB2 ASN 17 HB2 ASN 17 -2.650 -16.291 -20.089 129 HB3 ASN 17 HB1 ASN 17 -2.627 -15.045 -21.332 130 HD21 ASN 17 HD21 ASN 17 -0.500 -16.923 -21.188 131 HD22 ASN 17 HD22 ASN 17 0.904 -16.120 -20.675 132 H TYR 18 HN TYR 18 -4.964 -15.812 -18.831 133 HA TYR 18 HA TYR 18 -6.834 -14.909 -20.696 134 HB2 TYR 18 HB2 TYR 18 -7.112 -17.054 -19.727 135 HB3 TYR 18 HB1 TYR 18 -7.171 -16.387 -18.087 136 HD1 TYR 18 HD1 TYR 18 -9.124 -15.046 -17.367 137 HD2 TYR 18 HD2 TYR 18 -9.046 -17.023 -21.174 138 HE1 TYR 18 HE1 TYR 18 -11.569 -14.738 -17.562 139 HE2 TYR 18 HE2 TYR 18 -11.500 -16.718 -21.377 140 HH TYR 18 HH TYR 18 -13.243 -15.227 -20.487 141 H LYS 19 HN LYS 19 -6.679 -14.288 -17.243 142 HA LYS 19 HA LYS 19 -8.846 -12.475 -17.124 143 HB2 LYS 19 HB2 LYS 19 -6.503 -12.819 -15.261 144 HB3 LYS 19 HB1 LYS 19 -7.981 -11.916 -14.925 145 HG2 LYS 19 HG2 LYS 19 -9.306 -13.999 -15.295 146 HG3 LYS 19 HG1 LYS 19 -7.796 -14.890 -15.499 147 HD2 LYS 19 HD2 LYS 19 -7.095 -14.253 -13.244 148 HD3 LYS 19 HD1 LYS 19 -8.584 -13.333 -13.036 149 HE2 LYS 19 HE2 LYS 19 -9.903 -15.390 -13.286 150 HE3 LYS 19 HE1 LYS 19 -8.422 -16.318 -13.522 151 HZ1 LYS 19 HZ1 LYS 19 -8.342 -16.535 -11.329 152 HZ2 LYS 19 HZ2 LYS 19 -9.626 -15.447 -11.100 153 HZ3 LYS 19 HZ3 LYS 19 -8.032 -14.872 -11.213 154 H SER 20 HN SER 20 -5.383 -12.049 -17.611 155 HA SER 20 HA SER 20 -5.363 -9.235 -17.379 156 HB2 SER 20 HB2 SER 20 -3.279 -10.600 -17.353 157 HB3 SER 20 HB1 SER 20 -3.554 -11.017 -19.043 158 HG SER 20 HG SER 20 -3.750 -8.431 -18.941 159 H ASN 21 HN ASN 21 -5.906 -11.313 -20.120 160 HA ASN 21 HA ASN 21 -6.217 -9.269 -22.099 161 HB2 ASN 21 HB2 ASN 21 -5.927 -11.659 -22.650 162 HB3 ASN 21 HB1 ASN 21 -7.508 -12.000 -21.930 163 HD21 ASN 21 HD21 ASN 21 -7.496 -12.693 -24.529 164 HD22 ASN 21 HD22 ASN 21 -8.225 -11.519 -25.514 165 H VAL 22 HN VAL 22 -8.443 -10.652 -19.741 166 HA VAL 22 HA VAL 22 -10.826 -9.503 -20.778 167 HB VAL 22 HB VAL 22 -10.097 -10.286 -17.962 168 HG11 VAL 22 HG11 VAL 22 -12.653 -10.383 -17.758 169 HG12 VAL 22 HG12 VAL 22 -12.693 -9.390 -19.216 170 HG13 VAL 22 HG13 VAL 22 -11.927 -8.775 -17.751 171 HG21 VAL 22 HG21 VAL 22 -11.203 -12.342 -18.472 172 HG22 VAL 22 HG22 VAL 22 -10.137 -12.024 -19.838 173 HG23 VAL 22 HG23 VAL 22 -11.858 -11.689 -19.974 174 H CYS 23 HN CYS 23 -8.522 -8.398 -18.280 175 HA CYS 23 HA CYS 23 -9.838 -5.913 -17.817 176 HB2 CYS 23 HB2 CYS 23 -7.111 -6.989 -17.150 177 HB3 CYS 23 HB1 CYS 23 -7.515 -5.281 -16.871 178 H ASN 24 HN ASN 24 -7.165 -6.828 -19.981 179 HA ASN 24 HA ASN 24 -6.592 -4.188 -20.775 180 HB2 ASN 24 HB2 ASN 24 -6.197 -6.835 -22.160 181 HB3 ASN 24 HB1 ASN 24 -5.590 -5.300 -22.779 182 HD21 ASN 24 HD21 ASN 24 -3.880 -7.496 -21.956 183 HD22 ASN 24 HD22 ASN 24 -2.978 -6.959 -20.623 184 H GLY 25 HN GLY 25 -9.130 -6.415 -21.717 185 HA2 GLY 25 HA2 GLY 25 -9.809 -4.657 -23.938 186 HA3 GLY 25 HA1 GLY 25 -10.685 -6.127 -23.496 187 H CYS 26 HN CYS 26 -10.054 -4.084 -20.790 188 HA CYS 26 HA CYS 26 -12.863 -3.281 -20.847 189 HB2 CYS 26 HB2 CYS 26 -11.820 -4.400 -18.791 190 HB3 CYS 26 HB1 CYS 26 -11.103 -2.809 -18.469 191 H GLY 27 HN GLY 27 -11.671 -1.891 -22.625 192 HA2 GLY 27 HA2 GLY 27 -11.224 0.133 -23.416 193 HA3 GLY 27 HA1 GLY 27 -12.457 0.675 -22.308 194 H ASP 28 HN ASP 28 -11.807 2.291 -20.916 195 HA ASP 28 HA ASP 28 -8.917 2.767 -20.584 196 HB2 ASP 28 HB2 ASP 28 -11.336 4.491 -20.032 197 HB3 ASP 28 HB1 ASP 28 -9.680 4.976 -19.642 198 H GLN 29 HN GLN 29 -10.886 0.842 -19.072 199 HA GLN 29 HA GLN 29 -10.251 1.690 -16.272 200 HB2 GLN 29 HB2 GLN 29 -12.011 -0.603 -17.164 201 HB3 GLN 29 HB1 GLN 29 -11.849 0.071 -15.546 202 HG2 GLN 29 HG2 GLN 29 -13.838 1.028 -16.341 203 HG3 GLN 29 HG1 GLN 29 -12.628 2.289 -16.576 204 HE21 GLN 29 HE21 GLN 29 -14.603 -0.123 -18.272 205 HE22 GLN 29 HE22 GLN 29 -14.347 0.512 -19.826 206 H VAL 30 HN VAL 30 -8.618 0.269 -18.572 207 HA VAL 30 HA VAL 30 -7.916 -2.206 -17.867 208 HB VAL 30 HB VAL 30 -5.438 -1.301 -18.475 209 HG11 VAL 30 HG11 VAL 30 -7.248 -0.948 -20.811 210 HG12 VAL 30 HG12 VAL 30 -7.445 -2.467 -19.962 211 HG13 VAL 30 HG13 VAL 30 -5.866 -2.026 -20.606 212 HG21 VAL 30 HG21 VAL 30 -6.331 1.054 -18.087 213 HG22 VAL 30 HG22 VAL 30 -7.183 0.859 -19.615 214 HG23 VAL 30 HG23 VAL 30 -5.423 0.772 -19.571 215 H ALA 31 HN ALA 31 -6.420 0.720 -16.378 216 HA ALA 31 HA ALA 31 -4.790 -0.866 -14.722 217 HB1 ALA 31 HB1 ALA 31 -5.410 2.092 -14.574 218 HB2 ALA 31 HB2 ALA 31 -3.968 1.268 -15.196 219 HB3 ALA 31 HB3 ALA 31 -4.341 1.231 -13.476 220 H ALA 32 HN ALA 32 -7.930 0.658 -14.155 221 HA ALA 32 HA ALA 32 -8.122 0.075 -11.405 222 HB1 ALA 32 HB1 ALA 32 -10.105 0.500 -13.643 223 HB2 ALA 32 HB2 ALA 32 -9.787 1.590 -12.300 224 HB3 ALA 32 HB3 ALA 32 -10.658 0.076 -12.023 225 H CYS 33 HN CYS 33 -8.912 -1.633 -14.323 226 HA CYS 33 HA CYS 33 -10.214 -3.827 -13.105 227 HB2 CYS 33 HB2 CYS 33 -10.474 -3.206 -15.500 228 HB3 CYS 33 HB1 CYS 33 -8.836 -3.784 -15.779 229 H GLU 34 HN GLU 34 -6.847 -3.147 -13.959 230 HA GLU 34 HA GLU 34 -5.915 -5.765 -13.355 231 HB2 GLU 34 HB2 GLU 34 -4.630 -3.168 -14.118 232 HB3 GLU 34 HB1 GLU 34 -3.633 -4.487 -13.583 233 HG2 GLU 34 HG2 GLU 34 -4.750 -5.908 -15.381 234 HG3 GLU 34 HG1 GLU 34 -5.560 -4.452 -15.931 235 H ALA 35 HN ALA 35 -6.530 -2.947 -11.445 236 HA ALA 35 HA ALA 35 -4.653 -2.758 -9.527 237 HB1 ALA 35 HB1 ALA 35 -6.453 -1.952 -8.075 238 HB2 ALA 35 HB2 ALA 35 -7.603 -2.913 -8.972 239 HB3 ALA 35 HB3 ALA 35 -6.904 -1.445 -9.688 240 H GLU 36 HN GLU 36 -7.407 -4.877 -9.264 241 HA GLU 36 HA GLU 36 -6.041 -6.184 -6.981 242 HB2 GLU 36 HB2 GLU 36 -8.953 -6.202 -7.769 243 HB3 GLU 36 HB1 GLU 36 -8.287 -7.096 -6.408 244 HG2 GLU 36 HG2 GLU 36 -8.053 -4.089 -6.749 245 HG3 GLU 36 HG1 GLU 36 -9.275 -4.878 -5.753 246 H CYS 37 HN CYS 37 -5.059 -6.916 -9.536 247 HA CYS 37 HA CYS 37 -4.721 -8.719 -10.843 248 HB2 CYS 37 HB2 CYS 37 -4.668 -9.555 -8.117 249 HB3 CYS 37 HB1 CYS 37 -5.569 -10.792 -8.974 250 H PHE 38 HN PHE 38 -7.082 -7.506 -11.250 251 HA PHE 38 HA PHE 38 -8.964 -7.796 -12.404 252 HB2 PHE 38 HB2 PHE 38 -8.736 -10.764 -12.721 253 HB3 PHE 38 HB1 PHE 38 -8.976 -9.478 -13.924 254 HD1 PHE 38 HD1 PHE 38 -6.796 -7.790 -13.907 255 HD2 PHE 38 HD2 PHE 38 -6.724 -11.967 -12.966 256 HE1 PHE 38 HE1 PHE 38 -4.380 -7.887 -14.454 257 HE2 PHE 38 HE2 PHE 38 -4.311 -12.061 -13.547 258 HZ PHE 38 HZ PHE 38 -3.144 -10.004 -14.285 259 H ARG 39 HN ARG 39 -8.534 -8.759 -9.395 260 HA ARG 39 HA ARG 39 -11.158 -10.041 -8.991 261 HB2 ARG 39 HB2 ARG 39 -8.982 -10.842 -7.858 262 HB3 ARG 39 HB1 ARG 39 -9.090 -9.374 -6.889 263 HG2 ARG 39 HG2 ARG 39 -11.323 -10.032 -6.109 264 HG3 ARG 39 HG1 ARG 39 -11.232 -11.495 -7.092 265 HD2 ARG 39 HD2 ARG 39 -9.175 -12.154 -5.834 266 HD3 ARG 39 HD1 ARG 39 -9.416 -10.760 -4.782 267 HE ARG 39 HE ARG 39 -11.747 -12.434 -4.958 268 HH11 ARG 39 HH11 ARG 39 -12.298 -13.563 -3.080 269 HH12 ARG 39 HH12 ARG 39 -11.135 -13.745 -1.810 270 HH21 ARG 39 HH21 ARG 39 -8.656 -11.980 -3.477 271 HH22 ARG 39 HH22 ARG 39 -9.068 -12.847 -2.035 272 H ASN 40 HN ASN 40 -12.196 -8.159 -9.733 273 HA ASN 40 HA ASN 40 -12.943 -6.422 -7.517 274 HB2 ASN 40 HB2 ASN 40 -12.358 -4.320 -8.758 275 HB3 ASN 40 HB1 ASN 40 -10.980 -5.299 -8.277 276 HD21 ASN 40 HD21 ASN 40 -9.658 -4.393 -10.006 277 HD22 ASN 40 HD22 ASN 40 -9.906 -4.857 -11.620 278 H ASP 41 HN ASP 41 -14.680 -4.829 -8.240 279 HA ASP 41 HA ASP 41 -16.578 -6.332 -9.642 280 HB2 ASP 41 HB2 ASP 41 -17.785 -3.889 -9.463 281 HB3 ASP 41 HB1 ASP 41 -17.615 -4.952 -8.059 282 H VAL 42 HN VAL 42 -14.371 -3.776 -10.639 283 HA VAL 42 HA VAL 42 -15.643 -3.207 -13.119 284 HB VAL 42 HB VAL 42 -12.762 -3.031 -12.173 285 HG11 VAL 42 HG11 VAL 42 -13.929 -2.316 -14.871 286 HG12 VAL 42 HG12 VAL 42 -12.576 -3.395 -14.529 287 HG13 VAL 42 HG13 VAL 42 -12.406 -1.668 -14.271 288 HG21 VAL 42 HG21 VAL 42 -14.927 -0.998 -12.758 289 HG22 VAL 42 HG22 VAL 42 -13.239 -0.559 -12.476 290 HG23 VAL 42 HG23 VAL 42 -14.177 -1.345 -11.197 291 H TYR 43 HN TYR 43 -13.215 -5.614 -12.209 292 HA TYR 43 HA TYR 43 -12.799 -6.765 -14.713 293 HB2 TYR 43 HB2 TYR 43 -11.411 -7.486 -12.879 294 HB3 TYR 43 HB1 TYR 43 -12.816 -7.942 -11.921 295 HD1 TYR 43 HD1 TYR 43 -10.927 -8.805 -15.035 296 HD2 TYR 43 HD2 TYR 43 -13.757 -10.102 -12.072 297 HE1 TYR 43 HE1 TYR 43 -10.850 -11.110 -15.952 298 HE2 TYR 43 HE2 TYR 43 -13.678 -12.398 -13.000 299 HH TYR 43 HH TYR 43 -11.550 -13.197 -15.747 300 H THR 44 HN THR 44 -15.232 -7.595 -12.220 301 HA THR 44 HA THR 44 -16.431 -9.625 -13.703 302 HB THR 44 HB THR 44 -17.622 -7.796 -11.617 303 HG1 THR 44 HG1 THR 44 -16.275 -10.243 -11.677 304 HG21 THR 44 HG21 THR 44 -19.312 -9.693 -11.455 305 HG22 THR 44 HG22 THR 44 -18.705 -10.243 -13.017 306 HG23 THR 44 HG23 THR 44 -19.461 -8.657 -12.873 307 H ALA 45 HN ALA 45 -17.296 -6.212 -13.573 308 HA ALA 45 HA ALA 45 -19.481 -6.034 -15.292 309 HB1 ALA 45 HB1 ALA 45 -17.183 -4.245 -14.562 310 HB2 ALA 45 HB2 ALA 45 -18.695 -4.404 -13.686 311 HB3 ALA 45 HB3 ALA 45 -18.669 -3.588 -15.233 312 H CYS 46 HN CYS 46 -15.984 -5.783 -15.909 313 HA CYS 46 HA CYS 46 -16.292 -5.302 -18.707 314 HB2 CYS 46 HB2 CYS 46 -13.834 -6.363 -17.219 315 HB3 CYS 46 HB1 CYS 46 -13.874 -5.579 -18.821 316 H HIS 47 HN HIS 47 -15.778 -8.219 -16.706 317 HA HIS 47 HA HIS 47 -15.459 -9.978 -18.871 318 HB2 HIS 47 HB2 HIS 47 -14.864 -10.480 -16.465 319 HB3 HIS 47 HB1 HIS 47 -16.587 -10.659 -16.138 320 HD1 HIS 47 HD1 HIS 47 -15.012 -11.871 -19.328 321 HD2 HIS 47 HD2 HIS 47 -16.486 -13.458 -15.767 322 HE1 HIS 47 HE1 HIS 47 -15.099 -14.381 -19.645 323 H GLU 48 HN GLU 48 -18.374 -9.087 -17.059 324 HA GLU 48 HA GLU 48 -20.097 -10.878 -18.450 325 HB2 GLU 48 HB2 GLU 48 -21.902 -9.159 -17.553 326 HB3 GLU 48 HB1 GLU 48 -21.060 -10.269 -16.473 327 HG2 GLU 48 HG2 GLU 48 -20.202 -8.519 -15.305 328 HG3 GLU 48 HG1 GLU 48 -19.574 -7.794 -16.778 329 H ALA 49 HN ALA 49 -18.944 -7.680 -19.102 330 HA ALA 49 HA ALA 49 -20.902 -7.019 -21.036 331 HB1 ALA 49 HB1 ALA 49 -19.524 -5.377 -19.734 332 HB2 ALA 49 HB2 ALA 49 -19.590 -5.066 -21.468 333 HB3 ALA 49 HB3 ALA 49 -18.151 -5.798 -20.757 334 H GLN 50 HN GLN 50 -17.916 -8.836 -21.066 335 HA GLN 50 HA GLN 50 -17.758 -8.673 -23.988 336 HB2 GLN 50 HB2 GLN 50 -15.935 -9.949 -21.900 337 HB3 GLN 50 HB1 GLN 50 -15.637 -10.025 -23.637 338 HG2 GLN 50 HG2 GLN 50 -15.937 -7.436 -22.091 339 HG3 GLN 50 HG1 GLN 50 -14.381 -8.182 -22.459 340 HE21 GLN 50 HE21 GLN 50 -16.198 -5.720 -23.529 341 HE22 GLN 50 HE22 GLN 50 -15.893 -5.802 -25.197 342 H LYS 51 HN LYS 51 -18.011 -10.392 -25.307 343 HA LYS 51 HA LYS 51 -18.986 -12.927 -24.165 344 HB2 LYS 51 HB2 LYS 51 -20.464 -11.250 -26.209 345 HB3 LYS 51 HB1 LYS 51 -20.842 -12.934 -25.845 346 HG2 LYS 51 HG2 LYS 51 -21.248 -12.347 -23.492 347 HG3 LYS 51 HG1 LYS 51 -20.860 -10.661 -23.841 348 HD2 LYS 51 HD2 LYS 51 -22.728 -10.589 -25.475 349 HD3 LYS 51 HD1 LYS 51 -23.139 -12.252 -25.051 350 HE2 LYS 51 HE2 LYS 51 -23.026 -9.982 -23.048 351 HE3 LYS 51 HE1 LYS 51 -24.509 -10.527 -23.832 352 HZ1 LYS 51 HZ1 LYS 51 -23.668 -11.508 -21.533 353 HZ2 LYS 51 HZ2 LYS 51 -22.852 -12.571 -22.579 354 HZ3 LYS 51 HZ3 LYS 51 -24.544 -12.435 -22.651 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 8.820 -3.191 -10.975 2 HA SER 1 HA SER 1 8.513 -5.594 -10.764 3 HB2 SER 1 HB2 SER 1 10.469 -6.249 -9.571 4 HB3 SER 1 HB1 SER 1 10.164 -5.085 -8.284 5 HG SER 1 HG SER 1 8.128 -6.348 -8.006 6 H GLU 2 HN GLU 2 6.534 -4.313 -10.889 7 HA GLU 2 HA GLU 2 5.428 -3.146 -8.521 8 HB2 GLU 2 HB2 GLU 2 4.410 -3.758 -11.295 9 HB3 GLU 2 HB1 GLU 2 3.259 -3.309 -10.027 10 HG2 GLU 2 HG2 GLU 2 5.735 -1.684 -10.625 11 HG3 GLU 2 HG1 GLU 2 4.193 -1.383 -11.427 12 HA PRO 3 HA PRO 3 3.373 -6.485 -6.352 13 HB2 PRO 3 HB2 PRO 3 0.894 -4.878 -7.059 14 HB3 PRO 3 HB1 PRO 3 1.357 -5.843 -5.598 15 HG2 PRO 3 HG2 PRO 3 1.685 -3.213 -5.692 16 HG3 PRO 3 HG1 PRO 3 2.978 -4.228 -5.032 17 HD2 PRO 3 HD2 PRO 3 2.782 -2.916 -7.724 18 HD3 PRO 3 HD1 PRO 3 4.191 -3.120 -6.661 19 H ASP 4 HN ASP 4 3.253 -6.105 -9.665 20 HA ASP 4 HA ASP 4 1.282 -8.194 -10.138 21 HB2 ASP 4 HB2 ASP 4 1.260 -6.158 -11.627 22 HB3 ASP 4 HB1 ASP 4 2.971 -6.439 -11.984 23 H GLU 5 HN GLU 5 4.101 -8.353 -8.961 24 HA GLU 5 HA GLU 5 5.008 -10.636 -10.648 25 HB2 GLU 5 HB2 GLU 5 6.544 -8.597 -9.583 26 HB3 GLU 5 HB1 GLU 5 6.681 -9.830 -8.323 27 HG2 GLU 5 HG2 GLU 5 7.338 -11.498 -10.026 28 HG3 GLU 5 HG1 GLU 5 7.251 -10.253 -11.271 29 H ILE 6 HN ILE 6 4.235 -9.688 -7.294 30 HA ILE 6 HA ILE 6 4.411 -12.336 -6.285 31 HB ILE 6 HB ILE 6 2.711 -10.087 -5.191 32 HG12 ILE 6 HG12 ILE 6 4.962 -9.241 -5.569 33 HG13 ILE 6 HG11 ILE 6 4.758 -9.538 -3.845 34 HG21 ILE 6 HG21 ILE 6 3.377 -11.242 -3.012 35 HG22 ILE 6 HG22 ILE 6 3.960 -12.578 -4.004 36 HG23 ILE 6 HG23 ILE 6 2.251 -12.140 -4.034 37 HD11 ILE 6 HD11 ILE 6 6.857 -10.495 -4.284 38 HD12 ILE 6 HD12 ILE 6 6.355 -11.110 -5.857 39 HD13 ILE 6 HD13 ILE 6 5.786 -11.892 -4.385 40 H CYS 7 HN CYS 7 1.851 -10.458 -7.657 41 HA CYS 7 HA CYS 7 -0.299 -12.191 -7.066 42 HB2 CYS 7 HB2 CYS 7 -0.074 -9.745 -8.372 43 HB3 CYS 7 HB1 CYS 7 -0.584 -10.826 -9.666 44 H ARG 8 HN ARG 8 1.886 -12.091 -9.765 45 HA ARG 8 HA ARG 8 0.693 -14.141 -11.300 46 HB2 ARG 8 HB2 ARG 8 3.506 -13.089 -11.253 47 HB3 ARG 8 HB1 ARG 8 2.949 -14.329 -12.378 48 HG2 ARG 8 HG2 ARG 8 1.264 -12.849 -13.292 49 HG3 ARG 8 HG1 ARG 8 1.617 -11.622 -12.073 50 HD2 ARG 8 HD2 ARG 8 2.711 -11.054 -14.198 51 HD3 ARG 8 HD1 ARG 8 3.911 -11.410 -12.958 52 HE ARG 8 HE ARG 8 4.503 -13.351 -14.129 53 HH11 ARG 8 HH11 ARG 8 4.493 -14.615 -16.014 54 HH12 ARG 8 HH12 ARG 8 3.250 -14.387 -17.197 55 HH21 ARG 8 HH21 ARG 8 1.658 -11.868 -15.423 56 HH22 ARG 8 HH22 ARG 8 1.644 -12.830 -16.863 57 H ALA 9 HN ALA 9 3.190 -14.191 -8.820 58 HA ALA 9 HA ALA 9 3.938 -16.857 -9.115 59 HB1 ALA 9 HB1 ALA 9 4.809 -16.514 -6.683 60 HB2 ALA 9 HB2 ALA 9 4.023 -15.061 -6.679 61 HB3 ALA 9 HB3 ALA 9 5.359 -15.332 -7.850 62 H ARG 10 HN ARG 10 1.005 -15.578 -7.944 63 HA ARG 10 HA ARG 10 0.474 -17.904 -6.228 64 HB2 ARG 10 HB2 ARG 10 0.126 -15.641 -5.306 65 HB3 ARG 10 HB1 ARG 10 -1.061 -15.314 -6.557 66 HG2 ARG 10 HG2 ARG 10 -2.488 -17.100 -5.759 67 HG3 ARG 10 HG1 ARG 10 -1.257 -17.623 -4.610 68 HD2 ARG 10 HD2 ARG 10 -1.417 -15.350 -3.534 69 HD3 ARG 10 HD1 ARG 10 -2.783 -15.010 -4.595 70 HE ARG 10 HE ARG 10 -3.267 -17.454 -3.270 71 HH11 ARG 10 HH11 ARG 10 -4.676 -17.476 -1.486 72 HH12 ARG 10 HH12 ARG 10 -5.008 -16.005 -0.635 73 HH21 ARG 10 HH21 ARG 10 -2.968 -14.064 -2.659 74 HH22 ARG 10 HH22 ARG 10 -4.041 -14.073 -1.299 75 H MET 11 HN MET 11 -0.122 -16.681 -9.338 76 HA MET 11 HA MET 11 -2.426 -18.501 -9.681 77 HB2 MET 11 HB2 MET 11 -3.152 -16.902 -11.534 78 HB3 MET 11 HB1 MET 11 -3.323 -16.326 -9.878 79 HG2 MET 11 HG2 MET 11 -0.769 -15.496 -10.469 80 HG3 MET 11 HG1 MET 11 -1.551 -15.326 -12.026 81 HE1 MET 11 HE1 MET 11 -4.550 -14.812 -11.144 82 HE2 MET 11 HE2 MET 11 -3.658 -14.066 -12.468 83 HE3 MET 11 HE3 MET 11 -4.537 -13.053 -11.324 84 H THR 12 HN THR 12 -2.650 -19.426 -11.812 85 HA THR 12 HA THR 12 -0.124 -20.307 -12.905 86 HB THR 12 HB THR 12 -1.504 -21.583 -14.471 87 HG1 THR 12 HG1 THR 12 -3.703 -20.262 -13.268 88 HG21 THR 12 HG21 THR 12 -2.668 -21.566 -11.675 89 HG22 THR 12 HG22 THR 12 -1.188 -22.399 -12.152 90 HG23 THR 12 HG23 THR 12 -2.740 -22.904 -12.822 91 H HIS 13 HN HIS 13 0.417 -20.111 -15.210 92 HA HIS 13 HA HIS 13 0.386 -17.395 -16.104 93 HB2 HIS 13 HB2 HIS 13 1.251 -19.975 -17.422 94 HB3 HIS 13 HB1 HIS 13 1.425 -18.394 -18.186 95 HD1 HIS 13 HD1 HIS 13 2.579 -20.328 -15.137 96 HD2 HIS 13 HD2 HIS 13 3.587 -16.882 -17.252 97 HE1 HIS 13 HE1 HIS 13 4.766 -19.505 -14.161 98 H LYS 14 HN LYS 14 -1.355 -20.322 -17.201 99 HA LYS 14 HA LYS 14 -2.612 -19.131 -19.373 100 HB2 LYS 14 HB2 LYS 14 -4.209 -20.988 -19.208 101 HB3 LYS 14 HB1 LYS 14 -2.590 -21.592 -18.849 102 HG2 LYS 14 HG2 LYS 14 -3.090 -21.231 -16.394 103 HG3 LYS 14 HG1 LYS 14 -4.756 -20.884 -16.853 104 HD2 LYS 14 HD2 LYS 14 -4.964 -23.092 -17.879 105 HD3 LYS 14 HD1 LYS 14 -3.289 -23.458 -17.460 106 HE2 LYS 14 HE2 LYS 14 -3.828 -23.188 -15.064 107 HE3 LYS 14 HE1 LYS 14 -5.503 -22.828 -15.481 108 HZ1 LYS 14 HZ1 LYS 14 -5.035 -25.136 -16.802 109 HZ2 LYS 14 HZ2 LYS 14 -5.803 -25.015 -15.291 110 HZ3 LYS 14 HZ3 LYS 14 -4.141 -25.359 -15.378 111 H GLU 15 HN GLU 15 -3.565 -19.264 -15.978 112 HA GLU 15 HA GLU 15 -6.096 -18.025 -16.361 113 HB2 GLU 15 HB2 GLU 15 -5.475 -19.375 -14.365 114 HB3 GLU 15 HB1 GLU 15 -4.402 -18.066 -13.862 115 HG2 GLU 15 HG2 GLU 15 -6.308 -16.513 -13.786 116 HG3 GLU 15 HG1 GLU 15 -7.387 -17.801 -14.318 117 H PHE 16 HN PHE 16 -2.921 -16.815 -15.402 118 HA PHE 16 HA PHE 16 -3.641 -14.129 -14.927 119 HB2 PHE 16 HB2 PHE 16 -1.457 -15.121 -14.285 120 HB3 PHE 16 HB1 PHE 16 -1.006 -15.157 -15.988 121 HD1 PHE 16 HD1 PHE 16 -0.581 -13.097 -17.235 122 HD2 PHE 16 HD2 PHE 16 -1.637 -13.003 -13.070 123 HE1 PHE 16 HE1 PHE 16 0.151 -10.731 -17.101 124 HE2 PHE 16 HE2 PHE 16 -0.906 -10.637 -12.940 125 HZ PHE 16 HZ PHE 16 -0.012 -9.501 -14.954 126 H ASN 17 HN ASN 17 -2.477 -15.696 -17.935 127 HA ASN 17 HA ASN 17 -2.515 -13.329 -19.501 128 HB2 ASN 17 HB2 ASN 17 -1.796 -14.724 -21.163 129 HB3 ASN 17 HB1 ASN 17 -1.665 -15.921 -19.878 130 HD21 ASN 17 HD21 ASN 17 -3.141 -17.674 -19.901 131 HD22 ASN 17 HD22 ASN 17 -4.331 -17.887 -21.088 132 H TYR 18 HN TYR 18 -4.983 -15.802 -18.870 133 HA TYR 18 HA TYR 18 -6.859 -14.930 -20.733 134 HB2 TYR 18 HB2 TYR 18 -7.091 -17.052 -19.721 135 HB3 TYR 18 HB1 TYR 18 -7.208 -16.351 -18.096 136 HD1 TYR 18 HD1 TYR 18 -8.975 -17.148 -21.193 137 HD2 TYR 18 HD2 TYR 18 -9.216 -14.968 -17.504 138 HE1 TYR 18 HE1 TYR 18 -11.424 -16.890 -21.500 139 HE2 TYR 18 HE2 TYR 18 -11.657 -14.715 -17.806 140 HH TYR 18 HH TYR 18 -13.346 -16.279 -20.502 141 H LYS 19 HN LYS 19 -6.636 -14.219 -17.303 142 HA LYS 19 HA LYS 19 -8.799 -12.404 -17.191 143 HB2 LYS 19 HB2 LYS 19 -6.382 -12.521 -15.371 144 HB3 LYS 19 HB1 LYS 19 -7.945 -11.786 -15.028 145 HG2 LYS 19 HG2 LYS 19 -7.761 -14.710 -15.736 146 HG3 LYS 19 HG1 LYS 19 -7.485 -14.167 -14.082 147 HD2 LYS 19 HD2 LYS 19 -9.704 -13.081 -14.072 148 HD3 LYS 19 HD1 LYS 19 -9.986 -13.645 -15.718 149 HE2 LYS 19 HE2 LYS 19 -9.780 -15.974 -14.971 150 HE3 LYS 19 HE1 LYS 19 -9.479 -15.425 -13.321 151 HZ1 LYS 19 HZ1 LYS 19 -11.768 -15.950 -13.483 152 HZ2 LYS 19 HZ2 LYS 19 -11.948 -15.069 -14.925 153 HZ3 LYS 19 HZ3 LYS 19 -11.664 -14.257 -13.459 154 H SER 20 HN SER 20 -5.361 -11.976 -17.753 155 HA SER 20 HA SER 20 -5.351 -9.166 -17.613 156 HB2 SER 20 HB2 SER 20 -3.258 -9.311 -18.944 157 HB3 SER 20 HB1 SER 20 -3.264 -10.478 -17.625 158 HG SER 20 HG SER 20 -3.527 -10.859 -20.382 159 H ASN 21 HN ASN 21 -5.986 -11.295 -20.299 160 HA ASN 21 HA ASN 21 -6.319 -9.299 -22.302 161 HB2 ASN 21 HB2 ASN 21 -6.026 -11.691 -22.841 162 HB3 ASN 21 HB1 ASN 21 -7.581 -12.043 -22.084 163 HD21 ASN 21 HD21 ASN 21 -7.474 -12.744 -24.722 164 HD22 ASN 21 HD22 ASN 21 -8.302 -11.625 -25.691 165 H VAL 22 HN VAL 22 -8.492 -10.674 -19.904 166 HA VAL 22 HA VAL 22 -10.899 -9.566 -20.923 167 HB VAL 22 HB VAL 22 -10.129 -10.316 -18.111 168 HG11 VAL 22 HG11 VAL 22 -12.730 -9.422 -19.357 169 HG12 VAL 22 HG12 VAL 22 -11.984 -8.876 -17.854 170 HG13 VAL 22 HG13 VAL 22 -12.712 -10.478 -17.946 171 HG21 VAL 22 HG21 VAL 22 -11.886 -11.789 -20.079 172 HG22 VAL 22 HG22 VAL 22 -11.172 -12.403 -18.589 173 HG23 VAL 22 HG23 VAL 22 -10.150 -12.070 -19.984 174 H CYS 23 HN CYS 23 -8.634 -8.403 -18.426 175 HA CYS 23 HA CYS 23 -9.995 -5.943 -17.928 176 HB2 CYS 23 HB2 CYS 23 -7.204 -6.932 -17.398 177 HB3 CYS 23 HB1 CYS 23 -7.727 -5.277 -16.999 178 H ASN 24 HN ASN 24 -7.361 -6.825 -20.166 179 HA ASN 24 HA ASN 24 -6.816 -4.157 -20.965 180 HB2 ASN 24 HB2 ASN 24 -6.391 -6.855 -22.249 181 HB3 ASN 24 HB1 ASN 24 -5.872 -5.355 -23.014 182 HD21 ASN 24 HD21 ASN 24 -5.019 -3.949 -20.648 183 HD22 ASN 24 HD22 ASN 24 -3.660 -4.753 -20.026 184 H GLY 25 HN GLY 25 -9.330 -6.453 -21.885 185 HA2 GLY 25 HA2 GLY 25 -10.048 -4.810 -24.171 186 HA3 GLY 25 HA1 GLY 25 -10.892 -6.284 -23.703 187 H CYS 26 HN CYS 26 -10.374 -4.326 -21.003 188 HA CYS 26 HA CYS 26 -13.165 -3.726 -20.870 189 HB2 CYS 26 HB2 CYS 26 -11.772 -4.406 -18.864 190 HB3 CYS 26 HB1 CYS 26 -10.991 -2.824 -18.986 191 H GLY 27 HN GLY 27 -10.292 -1.737 -21.660 192 HA2 GLY 27 HA2 GLY 27 -10.912 -0.012 -23.096 193 HA3 GLY 27 HA1 GLY 27 -12.129 0.536 -21.946 194 H ASP 28 HN ASP 28 -11.470 2.202 -20.666 195 HA ASP 28 HA ASP 28 -8.594 2.723 -20.383 196 HB2 ASP 28 HB2 ASP 28 -11.077 4.379 -19.893 197 HB3 ASP 28 HB1 ASP 28 -9.460 4.932 -19.448 198 H GLN 29 HN GLN 29 -10.546 0.799 -18.863 199 HA GLN 29 HA GLN 29 -9.900 1.658 -16.081 200 HB2 GLN 29 HB2 GLN 29 -11.677 -0.626 -16.927 201 HB3 GLN 29 HB1 GLN 29 -11.513 0.100 -15.329 202 HG2 GLN 29 HG2 GLN 29 -13.495 1.043 -16.216 203 HG3 GLN 29 HG1 GLN 29 -12.267 2.295 -16.404 204 HE21 GLN 29 HE21 GLN 29 -12.795 3.311 -18.368 205 HE22 GLN 29 HE22 GLN 29 -13.050 2.488 -19.830 206 H VAL 30 HN VAL 30 -8.332 0.147 -18.419 207 HA VAL 30 HA VAL 30 -7.633 -2.368 -17.720 208 HB VAL 30 HB VAL 30 -5.493 -0.334 -18.304 209 HG11 VAL 30 HG11 VAL 30 -5.891 -3.242 -19.007 210 HG12 VAL 30 HG12 VAL 30 -4.662 -2.553 -17.945 211 HG13 VAL 30 HG13 VAL 30 -4.614 -2.230 -19.678 212 HG21 VAL 30 HG21 VAL 30 -6.109 -0.876 -20.749 213 HG22 VAL 30 HG22 VAL 30 -7.115 0.280 -19.877 214 HG23 VAL 30 HG23 VAL 30 -7.668 -1.380 -20.097 215 H ALA 31 HN ALA 31 -6.177 0.569 -16.244 216 HA ALA 31 HA ALA 31 -4.570 -0.958 -14.516 217 HB1 ALA 31 HB1 ALA 31 -3.976 1.327 -15.184 218 HB2 ALA 31 HB2 ALA 31 -3.982 1.091 -13.441 219 HB3 ALA 31 HB3 ALA 31 -5.299 1.981 -14.229 220 H ALA 32 HN ALA 32 -7.753 0.556 -14.074 221 HA ALA 32 HA ALA 32 -7.960 0.027 -11.334 222 HB1 ALA 32 HB1 ALA 32 -9.901 0.458 -13.610 223 HB2 ALA 32 HB2 ALA 32 -9.588 1.562 -12.285 224 HB3 ALA 32 HB3 ALA 32 -10.491 0.071 -11.992 225 H CYS 33 HN CYS 33 -8.807 -1.757 -14.214 226 HA CYS 33 HA CYS 33 -10.101 -3.928 -12.923 227 HB2 CYS 33 HB2 CYS 33 -10.370 -3.396 -15.336 228 HB3 CYS 33 HB1 CYS 33 -8.737 -3.977 -15.600 229 H GLU 34 HN GLU 34 -6.752 -3.260 -13.791 230 HA GLU 34 HA GLU 34 -5.822 -5.883 -13.156 231 HB2 GLU 34 HB2 GLU 34 -4.530 -3.280 -13.933 232 HB3 GLU 34 HB1 GLU 34 -3.542 -4.591 -13.337 233 HG2 GLU 34 HG2 GLU 34 -4.226 -6.018 -15.122 234 HG3 GLU 34 HG1 GLU 34 -5.538 -4.947 -15.590 235 H ALA 35 HN ALA 35 -6.516 -3.024 -11.338 236 HA ALA 35 HA ALA 35 -4.645 -2.787 -9.426 237 HB1 ALA 35 HB1 ALA 35 -7.598 -2.926 -8.938 238 HB2 ALA 35 HB2 ALA 35 -6.819 -1.453 -9.558 239 HB3 ALA 35 HB3 ALA 35 -6.451 -2.043 -7.956 240 H GLU 36 HN GLU 36 -7.458 -4.900 -9.057 241 HA GLU 36 HA GLU 36 -6.019 -6.201 -6.835 242 HB2 GLU 36 HB2 GLU 36 -8.938 -6.276 -7.578 243 HB3 GLU 36 HB1 GLU 36 -8.222 -7.094 -6.186 244 HG2 GLU 36 HG2 GLU 36 -7.988 -4.116 -6.679 245 HG3 GLU 36 HG1 GLU 36 -9.243 -4.830 -5.670 246 H CYS 37 HN CYS 37 -5.096 -6.949 -9.420 247 HA CYS 37 HA CYS 37 -4.789 -8.748 -10.748 248 HB2 CYS 37 HB2 CYS 37 -4.761 -9.664 -8.032 249 HB3 CYS 37 HB1 CYS 37 -5.617 -10.882 -8.964 250 H PHE 38 HN PHE 38 -7.182 -7.512 -11.140 251 HA PHE 38 HA PHE 38 -9.073 -7.849 -12.284 252 HB2 PHE 38 HB2 PHE 38 -8.847 -10.829 -12.504 253 HB3 PHE 38 HB1 PHE 38 -9.146 -9.590 -13.743 254 HD1 PHE 38 HD1 PHE 38 -6.863 -12.006 -12.795 255 HD2 PHE 38 HD2 PHE 38 -6.999 -7.855 -13.847 256 HE1 PHE 38 HE1 PHE 38 -4.480 -12.088 -13.431 257 HE2 PHE 38 HE2 PHE 38 -4.630 -7.974 -14.499 258 HZ PHE 38 HZ PHE 38 -3.367 -10.063 -14.291 259 H ARG 39 HN ARG 39 -8.615 -8.673 -9.275 260 HA ARG 39 HA ARG 39 -11.211 -9.962 -8.809 261 HB2 ARG 39 HB2 ARG 39 -9.020 -10.699 -7.600 262 HB3 ARG 39 HB1 ARG 39 -9.155 -9.175 -6.724 263 HG2 ARG 39 HG2 ARG 39 -11.391 -9.789 -5.956 264 HG3 ARG 39 HG1 ARG 39 -11.275 -11.323 -6.819 265 HD2 ARG 39 HD2 ARG 39 -10.693 -11.685 -4.484 266 HD3 ARG 39 HD1 ARG 39 -9.249 -11.882 -5.473 267 HE ARG 39 HE ARG 39 -9.462 -9.191 -4.565 268 HH11 ARG 39 HH11 ARG 39 -8.074 -8.539 -2.885 269 HH12 ARG 39 HH12 ARG 39 -7.310 -9.732 -1.888 270 HH21 ARG 39 HH21 ARG 39 -8.748 -12.419 -3.544 271 HH22 ARG 39 HH22 ARG 39 -7.691 -11.928 -2.262 272 H ASN 40 HN ASN 40 -12.235 -8.071 -9.674 273 HA ASN 40 HA ASN 40 -13.032 -6.296 -7.503 274 HB2 ASN 40 HB2 ASN 40 -12.471 -4.209 -8.793 275 HB3 ASN 40 HB1 ASN 40 -11.078 -5.138 -8.234 276 HD21 ASN 40 HD21 ASN 40 -9.672 -4.406 -9.907 277 HD22 ASN 40 HD22 ASN 40 -9.869 -4.905 -11.514 278 H ASP 41 HN ASP 41 -14.768 -4.709 -8.260 279 HA ASP 41 HA ASP 41 -16.674 -6.229 -9.621 280 HB2 ASP 41 HB2 ASP 41 -16.718 -3.250 -8.968 281 HB3 ASP 41 HB1 ASP 41 -18.142 -4.233 -9.315 282 H VAL 42 HN VAL 42 -14.445 -3.707 -10.678 283 HA VAL 42 HA VAL 42 -15.700 -3.172 -13.163 284 HB VAL 42 HB VAL 42 -12.841 -2.975 -12.154 285 HG11 VAL 42 HG11 VAL 42 -13.957 -2.367 -14.882 286 HG12 VAL 42 HG12 VAL 42 -12.539 -3.324 -14.457 287 HG13 VAL 42 HG13 VAL 42 -12.509 -1.577 -14.266 288 HG21 VAL 42 HG21 VAL 42 -14.990 -0.938 -12.792 289 HG22 VAL 42 HG22 VAL 42 -13.312 -0.510 -12.437 290 HG23 VAL 42 HG23 VAL 42 -14.308 -1.306 -11.207 291 H TYR 43 HN TYR 43 -13.270 -5.556 -12.199 292 HA TYR 43 HA TYR 43 -12.813 -6.685 -14.694 293 HB2 TYR 43 HB2 TYR 43 -11.448 -7.416 -12.845 294 HB3 TYR 43 HB1 TYR 43 -12.862 -7.887 -11.906 295 HD1 TYR 43 HD1 TYR 43 -11.034 -8.663 -15.078 296 HD2 TYR 43 HD2 TYR 43 -13.682 -10.086 -12.014 297 HE1 TYR 43 HE1 TYR 43 -10.931 -10.944 -16.040 298 HE2 TYR 43 HE2 TYR 43 -13.577 -12.367 -12.978 299 HH TYR 43 HH TYR 43 -13.084 -13.369 -15.266 300 H THR 44 HN THR 44 -15.255 -7.505 -12.238 301 HA THR 44 HA THR 44 -16.507 -9.516 -13.698 302 HB THR 44 HB THR 44 -17.675 -7.617 -11.656 303 HG1 THR 44 HG1 THR 44 -16.984 -9.062 -10.296 304 HG21 THR 44 HG21 THR 44 -19.562 -8.432 -12.876 305 HG22 THR 44 HG22 THR 44 -19.426 -9.496 -11.478 306 HG23 THR 44 HG23 THR 44 -18.850 -10.035 -13.055 307 H ALA 45 HN ALA 45 -17.296 -6.067 -13.603 308 HA ALA 45 HA ALA 45 -19.475 -5.937 -15.355 309 HB1 ALA 45 HB1 ALA 45 -18.591 -3.435 -15.547 310 HB2 ALA 45 HB2 ALA 45 -17.199 -4.102 -14.685 311 HB3 ALA 45 HB3 ALA 45 -18.773 -4.046 -13.907 312 H CYS 46 HN CYS 46 -15.941 -5.654 -15.925 313 HA CYS 46 HA CYS 46 -16.219 -5.274 -18.732 314 HB2 CYS 46 HB2 CYS 46 -13.735 -6.224 -17.244 315 HB3 CYS 46 HB1 CYS 46 -13.801 -5.472 -18.851 316 H HIS 47 HN HIS 47 -15.547 -8.103 -16.726 317 HA HIS 47 HA HIS 47 -15.148 -9.891 -18.850 318 HB2 HIS 47 HB2 HIS 47 -14.461 -10.280 -16.458 319 HB3 HIS 47 HB1 HIS 47 -16.159 -10.533 -16.068 320 HD1 HIS 47 HD1 HIS 47 -15.170 -11.762 -19.391 321 HD2 HIS 47 HD2 HIS 47 -15.357 -13.318 -15.529 322 HE1 HIS 47 HE1 HIS 47 -15.016 -14.278 -19.625 323 H GLU 48 HN GLU 48 -18.007 -9.044 -16.959 324 HA GLU 48 HA GLU 48 -19.754 -10.904 -18.207 325 HB2 GLU 48 HB2 GLU 48 -20.407 -8.325 -16.764 326 HB3 GLU 48 HB1 GLU 48 -21.536 -9.603 -17.178 327 HG2 GLU 48 HG2 GLU 48 -19.085 -10.382 -15.617 328 HG3 GLU 48 HG1 GLU 48 -20.399 -9.572 -14.764 329 H ALA 49 HN ALA 49 -18.634 -7.712 -19.010 330 HA ALA 49 HA ALA 49 -20.683 -7.131 -20.880 331 HB1 ALA 49 HB1 ALA 49 -17.937 -5.913 -20.508 332 HB2 ALA 49 HB2 ALA 49 -19.453 -5.332 -19.825 333 HB3 ALA 49 HB3 ALA 49 -19.190 -5.264 -21.568 334 H GLN 50 HN GLN 50 -17.729 -8.960 -20.972 335 HA GLN 50 HA GLN 50 -17.626 -8.867 -23.901 336 HB2 GLN 50 HB2 GLN 50 -15.800 -10.072 -21.788 337 HB3 GLN 50 HB1 GLN 50 -15.527 -10.279 -23.520 338 HG2 GLN 50 HG2 GLN 50 -15.354 -7.850 -23.789 339 HG3 GLN 50 HG1 GLN 50 -15.690 -7.624 -22.073 340 HE21 GLN 50 HE21 GLN 50 -13.370 -6.516 -22.559 341 HE22 GLN 50 HE22 GLN 50 -12.041 -7.515 -22.213 342 H LYS 51 HN LYS 51 -18.248 -10.449 -25.177 343 HA LYS 51 HA LYS 51 -20.061 -12.402 -24.320 344 HB2 LYS 51 HB2 LYS 51 -18.374 -12.251 -26.829 345 HB3 LYS 51 HB1 LYS 51 -19.657 -13.435 -26.578 346 HG2 LYS 51 HG2 LYS 51 -21.285 -11.615 -26.257 347 HG3 LYS 51 HG1 LYS 51 -20.007 -10.424 -26.498 348 HD2 LYS 51 HD2 LYS 51 -19.616 -11.303 -28.773 349 HD3 LYS 51 HD1 LYS 51 -20.902 -12.487 -28.534 350 HE2 LYS 51 HE2 LYS 51 -22.521 -10.645 -28.189 351 HE3 LYS 51 HE1 LYS 51 -21.233 -9.473 -28.464 352 HZ1 LYS 51 HZ1 LYS 51 -21.047 -10.066 -30.677 353 HZ2 LYS 51 HZ2 LYS 51 -22.725 -10.133 -30.421 354 HZ3 LYS 51 HZ3 LYS 51 -21.811 -11.565 -30.459 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 7.522 -7.914 -2.065 2 HA SER 1 HA SER 1 5.058 -6.754 -1.154 3 HB2 SER 1 HB2 SER 1 5.872 -4.699 -0.360 4 HB3 SER 1 HB1 SER 1 6.935 -5.865 0.421 5 HG SER 1 HG SER 1 8.184 -4.265 -0.521 6 H GLU 2 HN GLU 2 6.321 -8.023 -3.476 7 HA GLU 2 HA GLU 2 7.002 -5.943 -5.319 8 HB2 GLU 2 HB2 GLU 2 6.902 -8.869 -5.313 9 HB3 GLU 2 HB1 GLU 2 6.340 -8.197 -6.837 10 HG2 GLU 2 HG2 GLU 2 8.739 -8.566 -6.968 11 HG3 GLU 2 HG1 GLU 2 8.448 -6.826 -6.924 12 HA PRO 3 HA PRO 3 2.978 -4.944 -6.829 13 HB2 PRO 3 HB2 PRO 3 3.424 -4.278 -9.387 14 HB3 PRO 3 HB1 PRO 3 4.142 -3.376 -8.015 15 HG2 PRO 3 HG2 PRO 3 5.426 -5.362 -9.833 16 HG3 PRO 3 HG1 PRO 3 6.066 -3.847 -9.174 17 HD2 PRO 3 HD2 PRO 3 6.566 -6.370 -8.135 18 HD3 PRO 3 HD1 PRO 3 6.767 -4.845 -7.249 19 H ASP 4 HN ASP 4 3.790 -6.046 -9.913 20 HA ASP 4 HA ASP 4 1.641 -8.095 -9.897 21 HB2 ASP 4 HB2 ASP 4 3.007 -6.479 -12.016 22 HB3 ASP 4 HB1 ASP 4 2.373 -8.064 -12.470 23 H GLU 5 HN GLU 5 4.346 -8.468 -8.659 24 HA GLU 5 HA GLU 5 5.234 -10.815 -10.248 25 HB2 GLU 5 HB2 GLU 5 6.753 -8.824 -9.038 26 HB3 GLU 5 HB1 GLU 5 6.794 -10.121 -7.840 27 HG2 GLU 5 HG2 GLU 5 8.631 -10.506 -9.298 28 HG3 GLU 5 HG1 GLU 5 7.395 -11.690 -9.719 29 H ILE 6 HN ILE 6 4.107 -9.797 -7.052 30 HA ILE 6 HA ILE 6 4.190 -12.412 -5.917 31 HB ILE 6 HB ILE 6 2.419 -10.106 -5.076 32 HG12 ILE 6 HG12 ILE 6 4.683 -9.292 -5.237 33 HG13 ILE 6 HG11 ILE 6 4.321 -9.550 -3.534 34 HG21 ILE 6 HG21 ILE 6 3.544 -12.537 -3.662 35 HG22 ILE 6 HG22 ILE 6 1.845 -12.156 -3.937 36 HG23 ILE 6 HG23 ILE 6 2.795 -11.184 -2.814 37 HD11 ILE 6 HD11 ILE 6 6.436 -10.548 -3.733 38 HD12 ILE 6 HD12 ILE 6 6.104 -11.158 -5.352 39 HD13 ILE 6 HD13 ILE 6 5.371 -11.937 -3.953 40 H CYS 7 HN CYS 7 1.734 -10.516 -7.505 41 HA CYS 7 HA CYS 7 -0.431 -12.263 -7.048 42 HB2 CYS 7 HB2 CYS 7 -0.131 -9.802 -8.344 43 HB3 CYS 7 HB1 CYS 7 -0.615 -10.887 -9.644 44 H ARG 8 HN ARG 8 1.838 -12.095 -9.693 45 HA ARG 8 HA ARG 8 0.705 -14.129 -11.277 46 HB2 ARG 8 HB2 ARG 8 3.507 -13.061 -11.138 47 HB3 ARG 8 HB1 ARG 8 2.989 -14.282 -12.300 48 HG2 ARG 8 HG2 ARG 8 1.257 -12.765 -13.162 49 HG3 ARG 8 HG1 ARG 8 1.724 -11.544 -11.977 50 HD2 ARG 8 HD2 ARG 8 2.764 -11.044 -14.135 51 HD3 ARG 8 HD1 ARG 8 3.999 -11.482 -12.960 52 HE ARG 8 HE ARG 8 3.174 -13.800 -14.366 53 HH11 ARG 8 HH11 ARG 8 4.538 -14.607 -15.993 54 HH12 ARG 8 HH12 ARG 8 5.734 -13.576 -16.703 55 HH21 ARG 8 HH21 ARG 8 4.897 -10.825 -14.766 56 HH22 ARG 8 HH22 ARG 8 5.937 -11.435 -16.008 57 H ALA 9 HN ALA 9 3.161 -14.195 -8.747 58 HA ALA 9 HA ALA 9 3.928 -16.853 -9.060 59 HB1 ALA 9 HB1 ALA 9 3.923 -15.141 -6.564 60 HB2 ALA 9 HB2 ALA 9 5.281 -15.272 -7.732 61 HB3 ALA 9 HB3 ALA 9 4.831 -16.549 -6.667 62 H ARG 10 HN ARG 10 0.978 -15.602 -7.917 63 HA ARG 10 HA ARG 10 0.415 -17.956 -6.258 64 HB2 ARG 10 HB2 ARG 10 -0.400 -15.150 -6.312 65 HB3 ARG 10 HB1 ARG 10 -1.771 -16.242 -6.071 66 HG2 ARG 10 HG2 ARG 10 -0.578 -17.300 -4.193 67 HG3 ARG 10 HG1 ARG 10 0.801 -16.233 -4.451 68 HD2 ARG 10 HD2 ARG 10 -0.639 -14.279 -3.997 69 HD3 ARG 10 HD1 ARG 10 -2.009 -15.354 -3.733 70 HE ARG 10 HE ARG 10 0.016 -16.206 -2.016 71 HH11 ARG 10 HH11 ARG 10 0.047 -15.519 0.149 72 HH12 ARG 10 HH12 ARG 10 -0.777 -14.066 0.604 73 HH21 ARG 10 HH21 ARG 10 -1.899 -13.387 -2.607 74 HH22 ARG 10 HH22 ARG 10 -1.880 -12.858 -0.958 75 H MET 11 HN MET 11 -0.117 -16.720 -9.376 76 HA MET 11 HA MET 11 -2.405 -18.543 -9.752 77 HB2 MET 11 HB2 MET 11 -3.109 -16.931 -11.609 78 HB3 MET 11 HB1 MET 11 -3.312 -16.377 -9.948 79 HG2 MET 11 HG2 MET 11 -0.751 -15.523 -10.488 80 HG3 MET 11 HG1 MET 11 -1.510 -15.337 -12.049 81 HE1 MET 11 HE1 MET 11 -4.482 -13.080 -11.435 82 HE2 MET 11 HE2 MET 11 -4.627 -14.780 -11.002 83 HE3 MET 11 HE3 MET 11 -3.702 -14.316 -12.429 84 H THR 12 HN THR 12 -2.582 -19.468 -11.878 85 HA THR 12 HA THR 12 -0.034 -20.296 -12.963 86 HB THR 12 HB THR 12 -1.382 -21.585 -14.551 87 HG1 THR 12 HG1 THR 12 -3.806 -21.170 -13.669 88 HG21 THR 12 HG21 THR 12 -2.666 -21.694 -11.817 89 HG22 THR 12 HG22 THR 12 -1.042 -22.301 -12.139 90 HG23 THR 12 HG23 THR 12 -2.430 -23.025 -12.952 91 H HIS 13 HN HIS 13 0.471 -20.106 -15.290 92 HA HIS 13 HA HIS 13 0.426 -17.377 -16.167 93 HB2 HIS 13 HB2 HIS 13 1.284 -19.947 -17.512 94 HB3 HIS 13 HB1 HIS 13 1.458 -18.361 -18.259 95 HD1 HIS 13 HD1 HIS 13 2.710 -20.420 -15.353 96 HD2 HIS 13 HD2 HIS 13 3.552 -16.786 -17.214 97 HE1 HIS 13 HE1 HIS 13 4.887 -19.593 -14.356 98 H LYS 14 HN LYS 14 -1.313 -20.297 -17.265 99 HA LYS 14 HA LYS 14 -2.595 -19.086 -19.418 100 HB2 LYS 14 HB2 LYS 14 -4.194 -20.948 -19.236 101 HB3 LYS 14 HB1 LYS 14 -2.566 -21.556 -18.926 102 HG2 LYS 14 HG2 LYS 14 -3.017 -21.215 -16.452 103 HG3 LYS 14 HG1 LYS 14 -4.695 -20.888 -16.879 104 HD2 LYS 14 HD2 LYS 14 -4.875 -23.093 -17.941 105 HD3 LYS 14 HD1 LYS 14 -3.196 -23.433 -17.520 106 HE2 LYS 14 HE2 LYS 14 -3.731 -23.220 -15.132 107 HE3 LYS 14 HE1 LYS 14 -5.406 -22.837 -15.529 108 HZ1 LYS 14 HZ1 LYS 14 -5.877 -24.971 -15.855 109 HZ2 LYS 14 HZ2 LYS 14 -4.399 -25.326 -15.095 110 HZ3 LYS 14 HZ3 LYS 14 -4.486 -25.237 -16.790 111 H GLU 15 HN GLU 15 -3.527 -19.265 -16.011 112 HA GLU 15 HA GLU 15 -6.064 -18.032 -16.360 113 HB2 GLU 15 HB2 GLU 15 -5.398 -19.395 -14.377 114 HB3 GLU 15 HB1 GLU 15 -4.346 -18.070 -13.869 115 HG2 GLU 15 HG2 GLU 15 -6.409 -17.791 -12.682 116 HG3 GLU 15 HG1 GLU 15 -6.410 -16.572 -13.952 117 H PHE 16 HN PHE 16 -2.892 -16.818 -15.412 118 HA PHE 16 HA PHE 16 -3.626 -14.135 -14.926 119 HB2 PHE 16 HB2 PHE 16 -1.430 -15.124 -14.291 120 HB3 PHE 16 HB1 PHE 16 -0.983 -15.131 -15.996 121 HD1 PHE 16 HD1 PHE 16 -1.982 -12.915 -13.170 122 HD2 PHE 16 HD2 PHE 16 -0.221 -13.158 -17.082 123 HE1 PHE 16 HE1 PHE 16 -1.276 -10.545 -12.999 124 HE2 PHE 16 HE2 PHE 16 0.484 -10.787 -16.909 125 HZ PHE 16 HZ PHE 16 -0.043 -9.480 -14.868 126 H ASN 17 HN ASN 17 -2.457 -15.694 -17.932 127 HA ASN 17 HA ASN 17 -2.505 -13.337 -19.510 128 HB2 ASN 17 HB2 ASN 17 -2.699 -16.273 -20.195 129 HB3 ASN 17 HB1 ASN 17 -2.600 -14.997 -21.404 130 HD21 ASN 17 HD21 ASN 17 -0.552 -16.998 -21.133 131 HD22 ASN 17 HD22 ASN 17 0.865 -16.230 -20.601 132 H TYR 18 HN TYR 18 -4.957 -15.827 -18.892 133 HA TYR 18 HA TYR 18 -6.837 -14.948 -20.754 134 HB2 TYR 18 HB2 TYR 18 -7.073 -17.070 -19.747 135 HB3 TYR 18 HB1 TYR 18 -7.187 -16.370 -18.120 136 HD1 TYR 18 HD1 TYR 18 -8.969 -17.214 -21.187 137 HD2 TYR 18 HD2 TYR 18 -9.181 -14.926 -17.563 138 HE1 TYR 18 HE1 TYR 18 -11.417 -16.953 -21.490 139 HE2 TYR 18 HE2 TYR 18 -11.622 -14.670 -17.859 140 HH TYR 18 HH TYR 18 -13.333 -14.930 -19.298 141 H LYS 19 HN LYS 19 -6.625 -14.247 -17.313 142 HA LYS 19 HA LYS 19 -8.792 -12.430 -17.210 143 HB2 LYS 19 HB2 LYS 19 -6.388 -12.568 -15.380 144 HB3 LYS 19 HB1 LYS 19 -7.939 -11.799 -15.053 145 HG2 LYS 19 HG2 LYS 19 -7.794 -14.728 -15.738 146 HG3 LYS 19 HG1 LYS 19 -7.545 -14.170 -14.087 147 HD2 LYS 19 HD2 LYS 19 -9.746 -13.025 -14.151 148 HD3 LYS 19 HD1 LYS 19 -10.006 -13.641 -15.779 149 HE2 LYS 19 HE2 LYS 19 -11.114 -15.024 -14.032 150 HE3 LYS 19 HE1 LYS 19 -9.943 -15.924 -14.994 151 HZ1 LYS 19 HZ1 LYS 19 -8.303 -15.554 -13.238 152 HZ2 LYS 19 HZ2 LYS 19 -9.657 -16.400 -12.660 153 HZ3 LYS 19 HZ3 LYS 19 -9.470 -14.748 -12.310 154 H SER 20 HN SER 20 -5.359 -11.986 -17.744 155 HA SER 20 HA SER 20 -5.357 -9.178 -17.616 156 HB2 SER 20 HB2 SER 20 -3.597 -11.033 -19.240 157 HB3 SER 20 HB1 SER 20 -3.273 -9.323 -18.977 158 HG SER 20 HG SER 20 -3.610 -10.108 -16.617 159 H ASN 21 HN ASN 21 -5.968 -11.309 -20.301 160 HA ASN 21 HA ASN 21 -6.306 -9.312 -22.310 161 HB2 ASN 21 HB2 ASN 21 -5.993 -11.684 -22.863 162 HB3 ASN 21 HB1 ASN 21 -7.535 -12.068 -22.082 163 HD21 ASN 21 HD21 ASN 21 -8.989 -12.490 -23.765 164 HD22 ASN 21 HD22 ASN 21 -9.201 -11.499 -25.127 165 H VAL 22 HN VAL 22 -8.486 -10.694 -19.925 166 HA VAL 22 HA VAL 22 -10.893 -9.598 -20.954 167 HB VAL 22 HB VAL 22 -10.133 -10.358 -18.142 168 HG11 VAL 22 HG11 VAL 22 -12.678 -10.490 -17.922 169 HG12 VAL 22 HG12 VAL 22 -12.758 -9.535 -19.402 170 HG13 VAL 22 HG13 VAL 22 -11.992 -8.866 -17.960 171 HG21 VAL 22 HG21 VAL 22 -10.156 -12.099 -20.035 172 HG22 VAL 22 HG22 VAL 22 -11.893 -11.823 -20.112 173 HG23 VAL 22 HG23 VAL 22 -11.163 -12.442 -18.631 174 H CYS 23 HN CYS 23 -8.634 -8.430 -18.462 175 HA CYS 23 HA CYS 23 -10.004 -5.971 -17.952 176 HB2 CYS 23 HB2 CYS 23 -7.198 -6.947 -17.459 177 HB3 CYS 23 HB1 CYS 23 -7.717 -5.293 -17.057 178 H ASN 24 HN ASN 24 -7.348 -6.816 -20.180 179 HA ASN 24 HA ASN 24 -6.852 -4.150 -20.999 180 HB2 ASN 24 HB2 ASN 24 -5.311 -6.035 -21.419 181 HB3 ASN 24 HB1 ASN 24 -6.491 -6.747 -22.517 182 HD21 ASN 24 HD21 ASN 24 -5.021 -6.519 -24.355 183 HD22 ASN 24 HD22 ASN 24 -4.713 -4.996 -25.040 184 H GLY 25 HN GLY 25 -9.348 -6.444 -21.889 185 HA2 GLY 25 HA2 GLY 25 -10.114 -4.816 -24.169 186 HA3 GLY 25 HA1 GLY 25 -10.939 -6.290 -23.681 187 H CYS 26 HN CYS 26 -10.413 -4.345 -20.980 188 HA CYS 26 HA CYS 26 -13.196 -3.747 -20.825 189 HB2 CYS 26 HB2 CYS 26 -11.760 -4.413 -18.826 190 HB3 CYS 26 HB1 CYS 26 -10.985 -2.830 -18.987 191 H GLY 27 HN GLY 27 -10.348 -1.753 -21.634 192 HA2 GLY 27 HA2 GLY 27 -10.984 -0.048 -23.089 193 HA3 GLY 27 HA1 GLY 27 -12.197 0.502 -21.937 194 H ASP 28 HN ASP 28 -11.551 2.177 -20.668 195 HA ASP 28 HA ASP 28 -8.680 2.732 -20.414 196 HB2 ASP 28 HB2 ASP 28 -9.485 4.948 -19.576 197 HB3 ASP 28 HB1 ASP 28 -10.078 4.570 -21.193 198 H GLN 29 HN GLN 29 -10.611 0.796 -18.870 199 HA GLN 29 HA GLN 29 -9.945 1.673 -16.091 200 HB2 GLN 29 HB2 GLN 29 -11.719 -0.621 -16.913 201 HB3 GLN 29 HB1 GLN 29 -11.549 0.120 -15.322 202 HG2 GLN 29 HG2 GLN 29 -13.510 1.120 -16.117 203 HG3 GLN 29 HG1 GLN 29 -12.282 2.324 -16.515 204 HE21 GLN 29 HE21 GLN 29 -14.455 2.564 -18.086 205 HE22 GLN 29 HE22 GLN 29 -14.214 1.883 -19.622 206 H VAL 30 HN VAL 30 -8.376 0.175 -18.432 207 HA VAL 30 HA VAL 30 -7.672 -2.340 -17.738 208 HB VAL 30 HB VAL 30 -5.538 -0.297 -18.318 209 HG11 VAL 30 HG11 VAL 30 -4.722 -2.540 -17.969 210 HG12 VAL 30 HG12 VAL 30 -4.644 -2.180 -19.693 211 HG13 VAL 30 HG13 VAL 30 -5.941 -3.196 -19.064 212 HG21 VAL 30 HG21 VAL 30 -6.137 -0.768 -20.750 213 HG22 VAL 30 HG22 VAL 30 -7.223 0.296 -19.856 214 HG23 VAL 30 HG23 VAL 30 -7.671 -1.387 -20.137 215 H ALA 31 HN ALA 31 -6.220 0.588 -16.252 216 HA ALA 31 HA ALA 31 -4.614 -0.931 -14.526 217 HB1 ALA 31 HB1 ALA 31 -3.945 1.083 -13.543 218 HB2 ALA 31 HB2 ALA 31 -5.364 1.989 -14.092 219 HB3 ALA 31 HB3 ALA 31 -4.155 1.442 -15.252 220 H ALA 32 HN ALA 32 -7.806 0.562 -14.090 221 HA ALA 32 HA ALA 32 -8.007 0.030 -11.357 222 HB1 ALA 32 HB1 ALA 32 -9.642 1.562 -12.320 223 HB2 ALA 32 HB2 ALA 32 -10.537 0.068 -12.005 224 HB3 ALA 32 HB3 ALA 32 -9.963 0.431 -13.627 225 H CYS 33 HN CYS 33 -8.838 -1.759 -14.249 226 HA CYS 33 HA CYS 33 -10.098 -3.954 -12.975 227 HB2 CYS 33 HB2 CYS 33 -10.373 -3.422 -15.379 228 HB3 CYS 33 HB1 CYS 33 -8.736 -3.988 -15.641 229 H GLU 34 HN GLU 34 -6.761 -3.246 -13.816 230 HA GLU 34 HA GLU 34 -5.817 -5.853 -13.177 231 HB2 GLU 34 HB2 GLU 34 -4.538 -3.236 -13.930 232 HB3 GLU 34 HB1 GLU 34 -3.544 -4.546 -13.330 233 HG2 GLU 34 HG2 GLU 34 -4.201 -5.966 -15.129 234 HG3 GLU 34 HG1 GLU 34 -5.513 -4.899 -15.606 235 H ALA 35 HN ALA 35 -6.548 -2.989 -11.355 236 HA ALA 35 HA ALA 35 -4.693 -2.762 -9.450 237 HB1 ALA 35 HB1 ALA 35 -7.631 -2.935 -8.868 238 HB2 ALA 35 HB2 ALA 35 -6.954 -1.484 -9.646 239 HB3 ALA 35 HB3 ALA 35 -6.477 -1.922 -8.033 240 H GLU 36 HN GLU 36 -7.505 -4.855 -9.027 241 HA GLU 36 HA GLU 36 -6.034 -6.174 -6.838 242 HB2 GLU 36 HB2 GLU 36 -8.969 -6.206 -7.541 243 HB3 GLU 36 HB1 GLU 36 -8.245 -7.084 -6.191 244 HG2 GLU 36 HG2 GLU 36 -7.445 -4.989 -5.213 245 HG3 GLU 36 HG1 GLU 36 -8.069 -4.084 -6.591 246 H CYS 37 HN CYS 37 -5.145 -6.904 -9.424 247 HA CYS 37 HA CYS 37 -4.843 -8.682 -10.770 248 HB2 CYS 37 HB2 CYS 37 -4.810 -9.627 -8.060 249 HB3 CYS 37 HB1 CYS 37 -5.653 -10.839 -9.007 250 H PHE 38 HN PHE 38 -7.247 -7.453 -11.144 251 HA PHE 38 HA PHE 38 -9.135 -7.796 -12.277 252 HB2 PHE 38 HB2 PHE 38 -8.901 -10.772 -12.517 253 HB3 PHE 38 HB1 PHE 38 -9.203 -9.527 -13.746 254 HD1 PHE 38 HD1 PHE 38 -6.938 -11.956 -12.874 255 HD2 PHE 38 HD2 PHE 38 -7.037 -7.765 -13.764 256 HE1 PHE 38 HE1 PHE 38 -4.557 -12.036 -13.499 257 HE2 PHE 38 HE2 PHE 38 -4.661 -7.880 -14.400 258 HZ PHE 38 HZ PHE 38 -3.418 -9.989 -14.274 259 H ARG 39 HN ARG 39 -8.701 -8.567 -9.275 260 HA ARG 39 HA ARG 39 -11.282 -9.905 -8.830 261 HB2 ARG 39 HB2 ARG 39 -9.077 -10.622 -7.616 262 HB3 ARG 39 HB1 ARG 39 -9.251 -9.110 -6.726 263 HG2 ARG 39 HG2 ARG 39 -11.459 -9.765 -5.954 264 HG3 ARG 39 HG1 ARG 39 -11.363 -11.264 -6.881 265 HD2 ARG 39 HD2 ARG 39 -9.411 -10.481 -4.701 266 HD3 ARG 39 HD1 ARG 39 -10.786 -11.555 -4.459 267 HE ARG 39 HE ARG 39 -9.287 -12.538 -6.623 268 HH11 ARG 39 HH11 ARG 39 -7.845 -14.260 -6.284 269 HH12 ARG 39 HH12 ARG 39 -7.260 -14.589 -4.687 270 HH21 ARG 39 HH21 ARG 39 -9.028 -11.993 -3.217 271 HH22 ARG 39 HH22 ARG 39 -7.930 -13.306 -2.951 272 H ASN 40 HN ASN 40 -12.327 -8.016 -9.678 273 HA ASN 40 HA ASN 40 -13.138 -6.262 -7.490 274 HB2 ASN 40 HB2 ASN 40 -12.532 -4.162 -8.532 275 HB3 ASN 40 HB1 ASN 40 -11.100 -5.183 -8.382 276 HD21 ASN 40 HD21 ASN 40 -11.032 -3.160 -10.266 277 HD22 ASN 40 HD22 ASN 40 -11.173 -3.818 -11.818 278 H ASP 41 HN ASP 41 -14.883 -4.667 -8.259 279 HA ASP 41 HA ASP 41 -16.769 -6.184 -9.639 280 HB2 ASP 41 HB2 ASP 41 -16.822 -3.203 -8.981 281 HB3 ASP 41 HB1 ASP 41 -18.245 -4.178 -9.346 282 H VAL 42 HN VAL 42 -14.548 -3.678 -10.696 283 HA VAL 42 HA VAL 42 -15.789 -3.149 -13.191 284 HB VAL 42 HB VAL 42 -12.939 -2.955 -12.183 285 HG11 VAL 42 HG11 VAL 42 -12.598 -1.562 -14.288 286 HG12 VAL 42 HG12 VAL 42 -14.047 -2.349 -14.904 287 HG13 VAL 42 HG13 VAL 42 -12.631 -3.310 -14.476 288 HG21 VAL 42 HG21 VAL 42 -14.392 -1.290 -11.224 289 HG22 VAL 42 HG22 VAL 42 -15.084 -0.922 -12.806 290 HG23 VAL 42 HG23 VAL 42 -13.402 -0.492 -12.458 291 H TYR 43 HN TYR 43 -13.372 -5.547 -12.189 292 HA TYR 43 HA TYR 43 -12.896 -6.688 -14.682 293 HB2 TYR 43 HB2 TYR 43 -11.561 -7.404 -12.786 294 HB3 TYR 43 HB1 TYR 43 -12.999 -7.904 -11.899 295 HD1 TYR 43 HD1 TYR 43 -13.736 -10.123 -12.021 296 HD2 TYR 43 HD2 TYR 43 -11.117 -8.591 -15.059 297 HE1 TYR 43 HE1 TYR 43 -13.572 -12.384 -13.016 298 HE2 TYR 43 HE2 TYR 43 -10.950 -10.856 -16.046 299 HH TYR 43 HH TYR 43 -12.335 -13.666 -14.458 300 H THR 44 HN THR 44 -15.353 -7.514 -12.242 301 HA THR 44 HA THR 44 -16.609 -9.523 -13.705 302 HB THR 44 HB THR 44 -17.776 -7.615 -11.676 303 HG1 THR 44 HG1 THR 44 -16.699 -10.220 -11.658 304 HG21 THR 44 HG21 THR 44 -18.963 -10.065 -13.022 305 HG22 THR 44 HG22 THR 44 -19.642 -8.438 -12.963 306 HG23 THR 44 HG23 THR 44 -19.568 -9.415 -11.499 307 H ALA 45 HN ALA 45 -17.372 -6.054 -13.611 308 HA ALA 45 HA ALA 45 -19.543 -5.948 -15.368 309 HB1 ALA 45 HB1 ALA 45 -18.970 -3.447 -15.372 310 HB2 ALA 45 HB2 ALA 45 -17.317 -3.922 -15.047 311 HB3 ALA 45 HB3 ALA 45 -18.543 -4.153 -13.816 312 H CYS 46 HN CYS 46 -16.011 -5.634 -15.945 313 HA CYS 46 HA CYS 46 -16.290 -5.260 -18.750 314 HB2 CYS 46 HB2 CYS 46 -13.816 -6.218 -17.256 315 HB3 CYS 46 HB1 CYS 46 -13.862 -5.469 -18.866 316 H HIS 47 HN HIS 47 -15.598 -8.089 -16.757 317 HA HIS 47 HA HIS 47 -15.203 -9.860 -18.896 318 HB2 HIS 47 HB2 HIS 47 -14.501 -10.263 -16.509 319 HB3 HIS 47 HB1 HIS 47 -16.196 -10.536 -16.116 320 HD1 HIS 47 HD1 HIS 47 -16.594 -12.989 -15.954 321 HD2 HIS 47 HD2 HIS 47 -13.997 -12.062 -19.081 322 HE1 HIS 47 HE1 HIS 47 -16.063 -15.176 -17.117 323 H GLU 48 HN GLU 48 -18.058 -9.044 -16.982 324 HA GLU 48 HA GLU 48 -19.795 -10.915 -18.233 325 HB2 GLU 48 HB2 GLU 48 -20.464 -8.357 -16.761 326 HB3 GLU 48 HB1 GLU 48 -21.581 -9.643 -17.172 327 HG2 GLU 48 HG2 GLU 48 -19.093 -10.341 -15.617 328 HG3 GLU 48 HG1 GLU 48 -20.484 -9.662 -14.776 329 H ALA 49 HN ALA 49 -18.696 -7.720 -19.040 330 HA ALA 49 HA ALA 49 -20.779 -7.144 -20.878 331 HB1 ALA 49 HB1 ALA 49 -19.236 -5.286 -21.602 332 HB2 ALA 49 HB2 ALA 49 -18.059 -5.906 -20.444 333 HB3 ALA 49 HB3 ALA 49 -19.618 -5.310 -19.878 334 H GLN 50 HN GLN 50 -17.813 -8.950 -21.006 335 HA GLN 50 HA GLN 50 -17.725 -8.836 -23.937 336 HB2 GLN 50 HB2 GLN 50 -15.866 -10.030 -21.848 337 HB3 GLN 50 HB1 GLN 50 -15.600 -10.200 -23.583 338 HG2 GLN 50 HG2 GLN 50 -15.861 -7.548 -22.143 339 HG3 GLN 50 HG1 GLN 50 -14.321 -8.308 -22.546 340 HE21 GLN 50 HE21 GLN 50 -16.158 -5.876 -23.632 341 HE22 GLN 50 HE22 GLN 50 -15.926 -6.023 -25.307 342 H LYS 51 HN LYS 51 -18.369 -10.404 -25.221 343 HA LYS 51 HA LYS 51 -19.907 -12.577 -24.106 344 HB2 LYS 51 HB2 LYS 51 -19.124 -11.896 -26.941 345 HB3 LYS 51 HB1 LYS 51 -20.202 -13.222 -26.503 346 HG2 LYS 51 HG2 LYS 51 -21.660 -11.553 -25.315 347 HG3 LYS 51 HG1 LYS 51 -20.640 -10.272 -25.969 348 HD2 LYS 51 HD2 LYS 51 -22.046 -12.333 -27.688 349 HD3 LYS 51 HD1 LYS 51 -22.721 -10.746 -27.330 350 HE2 LYS 51 HE2 LYS 51 -20.500 -9.793 -28.238 351 HE3 LYS 51 HE1 LYS 51 -20.223 -11.404 -28.897 352 HZ1 LYS 51 HZ1 LYS 51 -21.311 -9.914 -30.474 353 HZ2 LYS 51 HZ2 LYS 51 -22.630 -9.754 -29.415 354 HZ3 LYS 51 HZ3 LYS 51 -22.268 -11.264 -30.107 Start of MODEL 13 1 H1 SER 1 HT1 SER 1 2.886 -0.502 -12.565 2 HA SER 1 HA SER 1 3.726 -2.944 -13.762 3 HB2 SER 1 HB2 SER 1 6.147 -2.519 -13.603 4 HB3 SER 1 HB1 SER 1 5.414 -1.464 -14.807 5 HG SER 1 HG SER 1 5.503 -0.538 -12.184 6 H GLU 2 HN GLU 2 2.189 -1.953 -11.564 7 HA GLU 2 HA GLU 2 3.609 -1.763 -9.175 8 HB2 GLU 2 HB2 GLU 2 0.810 -2.655 -9.840 9 HB3 GLU 2 HB1 GLU 2 1.395 -2.732 -8.178 10 HG2 GLU 2 HG2 GLU 2 0.224 -0.592 -8.682 11 HG3 GLU 2 HG1 GLU 2 1.905 -0.355 -8.203 12 HA PRO 3 HA PRO 3 5.209 -5.831 -8.175 13 HB2 PRO 3 HB2 PRO 3 3.580 -5.664 -5.690 14 HB3 PRO 3 HB1 PRO 3 5.319 -5.965 -5.860 15 HG2 PRO 3 HG2 PRO 3 4.284 -3.605 -5.013 16 HG3 PRO 3 HG1 PRO 3 5.832 -3.741 -5.864 17 HD2 PRO 3 HD2 PRO 3 3.290 -2.598 -6.822 18 HD3 PRO 3 HD1 PRO 3 4.930 -2.415 -7.481 19 H ASP 4 HN ASP 4 3.965 -6.374 -9.791 20 HA ASP 4 HA ASP 4 1.572 -8.037 -9.374 21 HB2 ASP 4 HB2 ASP 4 3.038 -7.192 -11.835 22 HB3 ASP 4 HB1 ASP 4 2.173 -8.730 -11.917 23 H GLU 5 HN GLU 5 5.113 -8.558 -9.530 24 HA GLU 5 HA GLU 5 5.214 -11.181 -10.308 25 HB2 GLU 5 HB2 GLU 5 7.105 -11.287 -8.564 26 HB3 GLU 5 HB1 GLU 5 7.230 -10.109 -9.874 27 HG2 GLU 5 HG2 GLU 5 6.385 -8.344 -8.408 28 HG3 GLU 5 HG1 GLU 5 6.123 -9.515 -7.126 29 H ILE 6 HN ILE 6 4.276 -10.008 -7.122 30 HA ILE 6 HA ILE 6 4.140 -12.532 -5.850 31 HB ILE 6 HB ILE 6 2.508 -10.061 -5.201 32 HG12 ILE 6 HG12 ILE 6 4.794 -9.326 -5.314 33 HG13 ILE 6 HG11 ILE 6 4.430 -9.568 -3.616 34 HG21 ILE 6 HG21 ILE 6 2.558 -10.954 -2.929 35 HG22 ILE 6 HG22 ILE 6 3.572 -12.297 -3.453 36 HG23 ILE 6 HG23 ILE 6 1.905 -12.174 -4.024 37 HD11 ILE 6 HD11 ILE 6 6.084 -11.316 -5.436 38 HD12 ILE 6 HD12 ILE 6 5.391 -11.948 -3.942 39 HD13 ILE 6 HD13 ILE 6 6.533 -10.605 -3.885 40 H CYS 7 HN CYS 7 1.748 -10.542 -7.522 41 HA CYS 7 HA CYS 7 -0.439 -12.222 -6.988 42 HB2 CYS 7 HB2 CYS 7 -0.147 -9.776 -8.279 43 HB3 CYS 7 HB1 CYS 7 -0.613 -10.848 -9.595 44 H ARG 8 HN ARG 8 1.762 -12.136 -9.690 45 HA ARG 8 HA ARG 8 0.541 -14.193 -11.208 46 HB2 ARG 8 HB2 ARG 8 3.353 -13.113 -11.209 47 HB3 ARG 8 HB1 ARG 8 2.794 -14.351 -12.334 48 HG2 ARG 8 HG2 ARG 8 1.042 -12.861 -13.167 49 HG3 ARG 8 HG1 ARG 8 1.499 -11.626 -11.992 50 HD2 ARG 8 HD2 ARG 8 2.507 -11.076 -14.138 51 HD3 ARG 8 HD1 ARG 8 3.776 -11.559 -13.016 52 HE ARG 8 HE ARG 8 2.888 -13.824 -14.469 53 HH11 ARG 8 HH11 ARG 8 4.201 -14.590 -16.159 54 HH12 ARG 8 HH12 ARG 8 5.392 -13.548 -16.862 55 HH21 ARG 8 HH21 ARG 8 4.633 -10.857 -14.812 56 HH22 ARG 8 HH22 ARG 8 5.637 -11.435 -16.100 57 H ALA 9 HN ALA 9 3.071 -14.249 -8.776 58 HA ALA 9 HA ALA 9 3.834 -16.913 -9.077 59 HB1 ALA 9 HB1 ALA 9 3.832 -15.179 -6.591 60 HB2 ALA 9 HB2 ALA 9 5.180 -15.298 -7.783 61 HB3 ALA 9 HB3 ALA 9 4.772 -16.566 -6.704 62 H ARG 10 HN ARG 10 0.869 -15.642 -7.948 63 HA ARG 10 HA ARG 10 0.323 -17.989 -6.274 64 HB2 ARG 10 HB2 ARG 10 -0.081 -15.757 -5.308 65 HB3 ARG 10 HB1 ARG 10 -1.213 -15.395 -6.601 66 HG2 ARG 10 HG2 ARG 10 -2.679 -17.195 -5.898 67 HG3 ARG 10 HG1 ARG 10 -1.503 -17.742 -4.703 68 HD2 ARG 10 HD2 ARG 10 -1.701 -15.496 -3.595 69 HD3 ARG 10 HD1 ARG 10 -3.001 -15.108 -4.723 70 HE ARG 10 HE ARG 10 -3.148 -16.958 -2.477 71 HH11 ARG 10 HH11 ARG 10 -5.223 -17.788 -2.057 72 HH12 ARG 10 HH12 ARG 10 -6.485 -17.586 -3.227 73 HH21 ARG 10 HH21 ARG 10 -4.482 -15.877 -5.484 74 HH22 ARG 10 HH22 ARG 10 -6.065 -16.505 -5.165 75 H MET 11 HN MET 11 -0.192 -16.766 -9.423 76 HA MET 11 HA MET 11 -2.449 -18.630 -9.796 77 HB2 MET 11 HB2 MET 11 -3.236 -17.097 -11.641 78 HB3 MET 11 HB1 MET 11 -3.351 -16.471 -9.997 79 HG2 MET 11 HG2 MET 11 -1.350 -15.190 -10.285 80 HG3 MET 11 HG1 MET 11 -1.023 -15.921 -11.844 81 HE1 MET 11 HE1 MET 11 -4.218 -12.928 -10.636 82 HE2 MET 11 HE2 MET 11 -3.289 -14.041 -9.636 83 HE3 MET 11 HE3 MET 11 -4.692 -14.627 -10.526 84 H THR 12 HN THR 12 -2.590 -19.566 -11.937 85 HA THR 12 HA THR 12 -0.002 -20.349 -12.973 86 HB THR 12 HB THR 12 -1.412 -21.517 -14.724 87 HG1 THR 12 HG1 THR 12 -3.683 -21.350 -13.327 88 HG21 THR 12 HG21 THR 12 -0.648 -22.607 -12.651 89 HG22 THR 12 HG22 THR 12 -2.249 -23.180 -13.121 90 HG23 THR 12 HG23 THR 12 -2.078 -22.008 -11.813 91 H HIS 13 HN HIS 13 0.558 -20.111 -15.303 92 HA HIS 13 HA HIS 13 0.456 -17.375 -16.152 93 HB2 HIS 13 HB2 HIS 13 1.309 -19.894 -17.611 94 HB3 HIS 13 HB1 HIS 13 1.548 -18.256 -18.221 95 HD1 HIS 13 HD1 HIS 13 2.923 -16.636 -16.441 96 HD2 HIS 13 HD2 HIS 13 3.397 -20.757 -16.028 97 HE1 HIS 13 HE1 HIS 13 5.028 -16.982 -15.075 98 H LYS 14 HN LYS 14 -1.294 -20.295 -17.233 99 HA LYS 14 HA LYS 14 -2.573 -19.076 -19.387 100 HB2 LYS 14 HB2 LYS 14 -4.190 -20.919 -19.195 101 HB3 LYS 14 HB1 LYS 14 -2.566 -21.539 -18.897 102 HG2 LYS 14 HG2 LYS 14 -2.988 -21.206 -16.425 103 HG3 LYS 14 HG1 LYS 14 -4.664 -20.843 -16.824 104 HD2 LYS 14 HD2 LYS 14 -4.895 -23.051 -17.892 105 HD3 LYS 14 HD1 LYS 14 -3.224 -23.425 -17.464 106 HE2 LYS 14 HE2 LYS 14 -3.771 -23.154 -15.071 107 HE3 LYS 14 HE1 LYS 14 -5.443 -22.781 -15.496 108 HZ1 LYS 14 HZ1 LYS 14 -4.727 -25.201 -14.884 109 HZ2 LYS 14 HZ2 LYS 14 -4.250 -25.257 -16.513 110 HZ3 LYS 14 HZ3 LYS 14 -5.866 -24.920 -16.109 111 H GLU 15 HN GLU 15 -3.490 -19.217 -15.975 112 HA GLU 15 HA GLU 15 -6.020 -17.970 -16.324 113 HB2 GLU 15 HB2 GLU 15 -5.360 -19.316 -14.334 114 HB3 GLU 15 HB1 GLU 15 -4.282 -18.007 -13.852 115 HG2 GLU 15 HG2 GLU 15 -6.170 -16.456 -13.726 116 HG3 GLU 15 HG1 GLU 15 -7.268 -17.720 -14.276 117 H PHE 16 HN PHE 16 -2.843 -16.772 -15.380 118 HA PHE 16 HA PHE 16 -3.534 -14.078 -14.926 119 HB2 PHE 16 HB2 PHE 16 -1.354 -14.916 -14.235 120 HB3 PHE 16 HB1 PHE 16 -0.929 -15.253 -15.926 121 HD1 PHE 16 HD1 PHE 16 0.005 -13.584 -17.298 122 HD2 PHE 16 HD2 PHE 16 -1.863 -12.466 -13.596 123 HE1 PHE 16 HE1 PHE 16 0.835 -11.264 -17.573 124 HE2 PHE 16 HE2 PHE 16 -1.027 -10.155 -13.870 125 HZ PHE 16 HZ PHE 16 0.319 -9.550 -15.859 126 H ASN 17 HN ASN 17 -2.424 -15.683 -17.943 127 HA ASN 17 HA ASN 17 -2.479 -13.324 -19.532 128 HB2 ASN 17 HB2 ASN 17 -2.706 -16.264 -20.199 129 HB3 ASN 17 HB1 ASN 17 -2.629 -14.992 -21.419 130 HD21 ASN 17 HD21 ASN 17 -0.584 -17.007 -21.164 131 HD22 ASN 17 HD22 ASN 17 0.846 -16.237 -20.673 132 H TYR 18 HN TYR 18 -4.953 -15.790 -18.848 133 HA TYR 18 HA TYR 18 -6.842 -14.912 -20.700 134 HB2 TYR 18 HB2 TYR 18 -7.080 -17.025 -19.667 135 HB3 TYR 18 HB1 TYR 18 -7.174 -16.306 -18.045 136 HD1 TYR 18 HD1 TYR 18 -8.972 -17.093 -21.132 137 HD2 TYR 18 HD2 TYR 18 -9.175 -14.946 -17.427 138 HE1 TYR 18 HE1 TYR 18 -11.424 -16.830 -21.416 139 HE2 TYR 18 HE2 TYR 18 -11.620 -14.683 -17.702 140 HH TYR 18 HH TYR 18 -13.215 -14.689 -20.006 141 H LYS 19 HN LYS 19 -6.608 -14.175 -17.282 142 HA LYS 19 HA LYS 19 -8.764 -12.355 -17.174 143 HB2 LYS 19 HB2 LYS 19 -6.335 -12.452 -15.369 144 HB3 LYS 19 HB1 LYS 19 -7.897 -11.717 -15.022 145 HG2 LYS 19 HG2 LYS 19 -7.691 -14.650 -15.680 146 HG3 LYS 19 HG1 LYS 19 -7.430 -14.072 -14.041 147 HD2 LYS 19 HD2 LYS 19 -9.660 -13.013 -14.053 148 HD3 LYS 19 HD1 LYS 19 -9.939 -13.604 -15.687 149 HE2 LYS 19 HE2 LYS 19 -9.704 -15.924 -14.899 150 HE3 LYS 19 HE1 LYS 19 -9.425 -15.336 -13.259 151 HZ1 LYS 19 HZ1 LYS 19 -11.729 -15.953 -13.563 152 HZ2 LYS 19 HZ2 LYS 19 -11.872 -14.889 -14.879 153 HZ3 LYS 19 HZ3 LYS 19 -11.605 -14.280 -13.317 154 H SER 20 HN SER 20 -5.325 -11.934 -17.742 155 HA SER 20 HA SER 20 -5.322 -9.122 -17.610 156 HB2 SER 20 HB2 SER 20 -3.225 -9.268 -18.938 157 HB3 SER 20 HB1 SER 20 -3.223 -10.409 -17.596 158 HG SER 20 HG SER 20 -3.448 -10.847 -20.347 159 H ASN 21 HN ASN 21 -5.937 -11.262 -20.280 160 HA ASN 21 HA ASN 21 -6.279 -9.289 -22.306 161 HB2 ASN 21 HB2 ASN 21 -5.969 -11.707 -22.779 162 HB3 ASN 21 HB1 ASN 21 -7.555 -12.026 -22.068 163 HD21 ASN 21 HD21 ASN 21 -7.266 -12.729 -24.742 164 HD22 ASN 21 HD22 ASN 21 -8.089 -11.622 -25.732 165 H VAL 22 HN VAL 22 -8.470 -10.656 -19.911 166 HA VAL 22 HA VAL 22 -10.878 -9.565 -20.942 167 HB VAL 22 HB VAL 22 -10.093 -10.306 -18.126 168 HG11 VAL 22 HG11 VAL 22 -12.639 -10.411 -17.874 169 HG12 VAL 22 HG12 VAL 22 -12.724 -9.456 -19.351 170 HG13 VAL 22 HG13 VAL 22 -11.931 -8.799 -17.919 171 HG21 VAL 22 HG21 VAL 22 -10.143 -12.079 -19.953 172 HG22 VAL 22 HG22 VAL 22 -11.864 -11.752 -20.112 173 HG23 VAL 22 HG23 VAL 22 -11.220 -12.373 -18.592 174 H CYS 23 HN CYS 23 -8.633 -8.392 -18.436 175 HA CYS 23 HA CYS 23 -9.992 -5.920 -17.967 176 HB2 CYS 23 HB2 CYS 23 -7.179 -6.873 -17.428 177 HB3 CYS 23 HB1 CYS 23 -7.727 -5.213 -17.061 178 H ASN 24 HN ASN 24 -7.432 -6.855 -20.262 179 HA ASN 24 HA ASN 24 -6.910 -4.197 -21.118 180 HB2 ASN 24 HB2 ASN 24 -5.368 -6.053 -21.531 181 HB3 ASN 24 HB1 ASN 24 -6.576 -6.831 -22.551 182 HD21 ASN 24 HD21 ASN 24 -5.492 -6.660 -24.560 183 HD22 ASN 24 HD22 ASN 24 -5.096 -5.174 -25.279 184 H GLY 25 HN GLY 25 -9.447 -6.501 -21.945 185 HA2 GLY 25 HA2 GLY 25 -10.205 -4.832 -24.201 186 HA3 GLY 25 HA1 GLY 25 -11.048 -6.304 -23.725 187 H CYS 26 HN CYS 26 -10.445 -4.338 -21.032 188 HA CYS 26 HA CYS 26 -13.234 -3.706 -20.881 189 HB2 CYS 26 HB2 CYS 26 -11.854 -4.430 -18.873 190 HB3 CYS 26 HB1 CYS 26 -11.063 -2.849 -18.969 191 H GLY 27 HN GLY 27 -10.349 -1.745 -21.745 192 HA2 GLY 27 HA2 GLY 27 -10.981 0.011 -23.104 193 HA3 GLY 27 HA1 GLY 27 -12.190 0.547 -21.955 194 H ASP 28 HN ASP 28 -11.535 2.223 -20.667 195 HA ASP 28 HA ASP 28 -8.653 2.748 -20.395 196 HB2 ASP 28 HB2 ASP 28 -11.131 4.396 -19.850 197 HB3 ASP 28 HB1 ASP 28 -9.495 4.957 -19.486 198 H GLN 29 HN GLN 29 -10.602 0.814 -18.869 199 HA GLN 29 HA GLN 29 -9.964 1.677 -16.085 200 HB2 GLN 29 HB2 GLN 29 -11.728 -0.618 -16.933 201 HB3 GLN 29 HB1 GLN 29 -11.564 0.110 -15.335 202 HG2 GLN 29 HG2 GLN 29 -13.561 1.027 -16.230 203 HG3 GLN 29 HG1 GLN 29 -12.342 2.294 -16.391 204 HE21 GLN 29 HE21 GLN 29 -12.920 3.329 -18.337 205 HE22 GLN 29 HE22 GLN 29 -13.133 2.522 -19.815 206 H VAL 30 HN VAL 30 -8.373 0.181 -18.405 207 HA VAL 30 HA VAL 30 -7.660 -2.303 -17.701 208 HB VAL 30 HB VAL 30 -5.170 -1.352 -18.233 209 HG11 VAL 30 HG11 VAL 30 -6.042 -2.816 -19.766 210 HG12 VAL 30 HG12 VAL 30 -5.938 -1.337 -20.716 211 HG13 VAL 30 HG13 VAL 30 -7.494 -1.858 -20.056 212 HG21 VAL 30 HG21 VAL 30 -5.211 0.684 -19.422 213 HG22 VAL 30 HG22 VAL 30 -6.147 0.992 -17.961 214 HG23 VAL 30 HG23 VAL 30 -6.970 0.701 -19.495 215 H ALA 31 HN ALA 31 -6.224 0.647 -16.207 216 HA ALA 31 HA ALA 31 -4.637 -0.906 -14.489 217 HB1 ALA 31 HB1 ALA 31 -5.312 2.055 -14.356 218 HB2 ALA 31 HB2 ALA 31 -3.872 1.277 -15.006 219 HB3 ALA 31 HB3 ALA 31 -4.199 1.197 -13.281 220 H ALA 32 HN ALA 32 -7.830 0.605 -14.051 221 HA ALA 32 HA ALA 32 -8.042 0.059 -11.315 222 HB1 ALA 32 HB1 ALA 32 -10.586 0.051 -12.030 223 HB2 ALA 32 HB2 ALA 32 -9.944 0.531 -13.603 224 HB3 ALA 32 HB3 ALA 32 -9.694 1.568 -12.215 225 H CYS 33 HN CYS 33 -8.849 -1.715 -14.202 226 HA CYS 33 HA CYS 33 -10.149 -3.898 -12.965 227 HB2 CYS 33 HB2 CYS 33 -10.399 -3.324 -15.372 228 HB3 CYS 33 HB1 CYS 33 -8.756 -3.883 -15.632 229 H GLU 34 HN GLU 34 -6.804 -3.225 -13.828 230 HA GLU 34 HA GLU 34 -5.876 -5.843 -13.171 231 HB2 GLU 34 HB2 GLU 34 -4.562 -3.253 -13.958 232 HB3 GLU 34 HB1 GLU 34 -3.589 -4.575 -13.380 233 HG2 GLU 34 HG2 GLU 34 -4.558 -6.019 -15.147 234 HG3 GLU 34 HG1 GLU 34 -5.538 -4.678 -15.706 235 H ALA 35 HN ALA 35 -6.553 -2.966 -11.346 236 HA ALA 35 HA ALA 35 -4.671 -2.734 -9.434 237 HB1 ALA 35 HB1 ALA 35 -6.614 -2.174 -7.907 238 HB2 ALA 35 HB2 ALA 35 -7.653 -2.801 -9.155 239 HB3 ALA 35 HB3 ALA 35 -6.739 -1.315 -9.436 240 H GLU 36 HN GLU 36 -7.482 -4.838 -9.110 241 HA GLU 36 HA GLU 36 -6.071 -6.132 -6.864 242 HB2 GLU 36 HB2 GLU 36 -8.996 -6.108 -7.594 243 HB3 GLU 36 HB1 GLU 36 -8.311 -7.083 -6.290 244 HG2 GLU 36 HG2 GLU 36 -7.461 -5.078 -5.188 245 HG3 GLU 36 HG1 GLU 36 -8.032 -4.074 -6.519 246 H CYS 37 HN CYS 37 -5.139 -6.884 -9.454 247 HA CYS 37 HA CYS 37 -4.845 -8.688 -10.780 248 HB2 CYS 37 HB2 CYS 37 -4.791 -9.592 -8.052 249 HB3 CYS 37 HB1 CYS 37 -5.644 -10.813 -8.977 250 H PHE 38 HN PHE 38 -7.224 -7.459 -11.178 251 HA PHE 38 HA PHE 38 -9.115 -7.783 -12.307 252 HB2 PHE 38 HB2 PHE 38 -8.929 -10.759 -12.597 253 HB3 PHE 38 HB1 PHE 38 -9.136 -9.473 -13.814 254 HD1 PHE 38 HD1 PHE 38 -6.942 -11.977 -12.698 255 HD2 PHE 38 HD2 PHE 38 -6.946 -7.865 -13.925 256 HE1 PHE 38 HE1 PHE 38 -4.529 -12.124 -13.222 257 HE2 PHE 38 HE2 PHE 38 -4.543 -8.052 -14.459 258 HZ PHE 38 HZ PHE 38 -3.339 -10.154 -14.112 259 H ARG 39 HN ARG 39 -8.655 -8.669 -9.301 260 HA ARG 39 HA ARG 39 -11.260 -9.955 -8.852 261 HB2 ARG 39 HB2 ARG 39 -9.169 -9.212 -6.773 262 HB3 ARG 39 HB1 ARG 39 -10.474 -10.375 -6.610 263 HG2 ARG 39 HG2 ARG 39 -9.406 -11.856 -8.249 264 HG3 ARG 39 HG1 ARG 39 -8.126 -10.676 -8.510 265 HD2 ARG 39 HD2 ARG 39 -8.730 -11.933 -5.826 266 HD3 ARG 39 HD1 ARG 39 -7.494 -12.529 -6.928 267 HE ARG 39 HE ARG 39 -7.044 -9.782 -6.501 268 HH11 ARG 39 HH11 ARG 39 -5.441 -9.146 -5.014 269 HH12 ARG 39 HH12 ARG 39 -4.911 -10.257 -3.796 270 HH21 ARG 39 HH21 ARG 39 -7.028 -12.804 -4.820 271 HH22 ARG 39 HH22 ARG 39 -5.810 -12.327 -3.686 272 H ASN 40 HN ASN 40 -12.292 -8.075 -9.687 273 HA ASN 40 HA ASN 40 -13.050 -6.285 -7.518 274 HB2 ASN 40 HB2 ASN 40 -12.469 -4.207 -8.809 275 HB3 ASN 40 HB1 ASN 40 -11.084 -5.174 -8.285 276 HD21 ASN 40 HD21 ASN 40 -9.732 -4.388 -9.993 277 HD22 ASN 40 HD22 ASN 40 -9.955 -4.903 -11.591 278 H ASP 41 HN ASP 41 -14.799 -4.699 -8.272 279 HA ASP 41 HA ASP 41 -16.695 -6.234 -9.626 280 HB2 ASP 41 HB2 ASP 41 -16.767 -3.251 -8.972 281 HB3 ASP 41 HB1 ASP 41 -18.185 -4.249 -9.306 282 H VAL 42 HN VAL 42 -14.473 -3.705 -10.699 283 HA VAL 42 HA VAL 42 -15.753 -3.173 -13.175 284 HB VAL 42 HB VAL 42 -12.881 -2.964 -12.210 285 HG11 VAL 42 HG11 VAL 42 -12.590 -1.560 -14.314 286 HG12 VAL 42 HG12 VAL 42 -14.047 -2.340 -14.913 287 HG13 VAL 42 HG13 VAL 42 -12.621 -3.304 -14.524 288 HG21 VAL 42 HG21 VAL 42 -14.334 -1.300 -11.229 289 HG22 VAL 42 HG22 VAL 42 -15.054 -0.936 -12.798 290 HG23 VAL 42 HG23 VAL 42 -13.368 -0.500 -12.481 291 H TYR 43 HN TYR 43 -13.322 -5.546 -12.224 292 HA TYR 43 HA TYR 43 -12.874 -6.699 -14.707 293 HB2 TYR 43 HB2 TYR 43 -11.510 -7.411 -12.832 294 HB3 TYR 43 HB1 TYR 43 -12.931 -7.895 -11.914 295 HD1 TYR 43 HD1 TYR 43 -11.105 -8.635 -15.103 296 HD2 TYR 43 HD2 TYR 43 -13.678 -10.116 -11.998 297 HE1 TYR 43 HE1 TYR 43 -10.971 -10.914 -16.067 298 HE2 TYR 43 HE2 TYR 43 -13.541 -12.392 -12.967 299 HH TYR 43 HH TYR 43 -12.777 -13.631 -14.636 300 H THR 44 HN THR 44 -15.313 -7.480 -12.240 301 HA THR 44 HA THR 44 -16.552 -9.504 -13.687 302 HB THR 44 HB THR 44 -17.741 -7.607 -11.659 303 HG1 THR 44 HG1 THR 44 -17.141 -9.113 -10.279 304 HG21 THR 44 HG21 THR 44 -18.895 -10.044 -13.042 305 HG22 THR 44 HG22 THR 44 -19.611 -8.438 -12.903 306 HG23 THR 44 HG23 THR 44 -19.491 -9.476 -11.482 307 H ALA 45 HN ALA 45 -17.369 -6.062 -13.640 308 HA ALA 45 HA ALA 45 -19.549 -5.933 -15.389 309 HB1 ALA 45 HB1 ALA 45 -18.451 -4.251 -13.783 310 HB2 ALA 45 HB2 ALA 45 -18.960 -3.476 -15.277 311 HB3 ALA 45 HB3 ALA 45 -17.290 -3.951 -15.049 312 H CYS 46 HN CYS 46 -16.017 -5.652 -15.964 313 HA CYS 46 HA CYS 46 -16.282 -5.276 -18.764 314 HB2 CYS 46 HB2 CYS 46 -13.788 -6.207 -17.268 315 HB3 CYS 46 HB1 CYS 46 -13.870 -5.450 -18.874 316 H HIS 47 HN HIS 47 -15.584 -8.104 -16.755 317 HA HIS 47 HA HIS 47 -15.203 -9.892 -18.889 318 HB2 HIS 47 HB2 HIS 47 -14.491 -10.275 -16.503 319 HB3 HIS 47 HB1 HIS 47 -16.181 -10.551 -16.098 320 HD1 HIS 47 HD1 HIS 47 -17.363 -12.498 -17.670 321 HD2 HIS 47 HD2 HIS 47 -13.210 -12.597 -17.324 322 HE1 HIS 47 HE1 HIS 47 -16.640 -14.821 -18.370 323 H GLU 48 HN GLU 48 -18.048 -9.055 -16.969 324 HA GLU 48 HA GLU 48 -19.803 -10.927 -18.192 325 HB2 GLU 48 HB2 GLU 48 -20.443 -8.352 -16.745 326 HB3 GLU 48 HB1 GLU 48 -21.575 -9.617 -17.147 327 HG2 GLU 48 HG2 GLU 48 -19.109 -10.364 -15.589 328 HG3 GLU 48 HG1 GLU 48 -20.473 -9.638 -14.748 329 H ALA 49 HN ALA 49 -18.690 -7.742 -19.030 330 HA ALA 49 HA ALA 49 -20.773 -7.184 -20.878 331 HB1 ALA 49 HB1 ALA 49 -18.064 -5.954 -20.383 332 HB2 ALA 49 HB2 ALA 49 -19.651 -5.314 -19.958 333 HB3 ALA 49 HB3 ALA 49 -19.148 -5.371 -21.647 334 H GLN 50 HN GLN 50 -17.815 -9.015 -20.994 335 HA GLN 50 HA GLN 50 -17.748 -8.926 -23.927 336 HB2 GLN 50 HB2 GLN 50 -15.882 -10.114 -21.839 337 HB3 GLN 50 HB1 GLN 50 -15.635 -10.319 -23.575 338 HG2 GLN 50 HG2 GLN 50 -15.475 -7.892 -23.853 339 HG3 GLN 50 HG1 GLN 50 -15.805 -7.660 -22.135 340 HE21 GLN 50 HE21 GLN 50 -13.514 -6.534 -22.538 341 HE22 GLN 50 HE22 GLN 50 -12.170 -7.525 -22.233 342 H LYS 51 HN LYS 51 -18.315 -10.543 -25.197 343 HA LYS 51 HA LYS 51 -20.110 -12.519 -24.277 344 HB2 LYS 51 HB2 LYS 51 -20.041 -11.648 -26.616 345 HB3 LYS 51 HB1 LYS 51 -18.523 -12.513 -26.860 346 HG2 LYS 51 HG2 LYS 51 -19.627 -14.646 -26.384 347 HG3 LYS 51 HG1 LYS 51 -21.143 -13.810 -26.053 348 HD2 LYS 51 HD2 LYS 51 -21.175 -12.958 -28.376 349 HD3 LYS 51 HD1 LYS 51 -19.671 -13.820 -28.705 350 HE2 LYS 51 HE2 LYS 51 -20.767 -15.962 -28.207 351 HE3 LYS 51 HE1 LYS 51 -22.269 -15.118 -27.831 352 HZ1 LYS 51 HZ1 LYS 51 -21.817 -14.137 -30.226 353 HZ2 LYS 51 HZ2 LYS 51 -22.658 -15.595 -29.993 354 HZ3 LYS 51 HZ3 LYS 51 -21.013 -15.619 -30.416 Start of MODEL 14 1 H1 SER 1 HT1 SER 1 6.497 -4.607 -1.326 2 HA SER 1 HA SER 1 6.457 -7.339 -1.399 3 HB2 SER 1 HB2 SER 1 3.637 -6.233 -1.322 4 HB3 SER 1 HB1 SER 1 4.091 -7.890 -1.710 5 HG SER 1 HG SER 1 3.662 -7.964 0.414 6 H GLU 2 HN GLU 2 6.723 -7.803 -3.508 7 HA GLU 2 HA GLU 2 7.055 -5.847 -5.401 8 HB2 GLU 2 HB2 GLU 2 6.916 -8.774 -5.379 9 HB3 GLU 2 HB1 GLU 2 6.361 -8.102 -6.904 10 HG2 GLU 2 HG2 GLU 2 8.763 -8.539 -6.997 11 HG3 GLU 2 HG1 GLU 2 8.484 -6.796 -7.038 12 HA PRO 3 HA PRO 3 3.006 -4.821 -6.886 13 HB2 PRO 3 HB2 PRO 3 3.448 -4.154 -9.444 14 HB3 PRO 3 HB1 PRO 3 4.175 -3.262 -8.071 15 HG2 PRO 3 HG2 PRO 3 5.448 -5.235 -9.913 16 HG3 PRO 3 HG1 PRO 3 6.092 -3.728 -9.238 17 HD2 PRO 3 HD2 PRO 3 6.579 -6.268 -8.230 18 HD3 PRO 3 HD1 PRO 3 6.806 -4.750 -7.341 19 H ASP 4 HN ASP 4 3.806 -5.944 -9.960 20 HA ASP 4 HA ASP 4 1.648 -7.996 -9.958 21 HB2 ASP 4 HB2 ASP 4 3.031 -6.374 -12.065 22 HB3 ASP 4 HB1 ASP 4 2.394 -7.954 -12.533 23 H GLU 5 HN GLU 5 4.334 -8.375 -8.699 24 HA GLU 5 HA GLU 5 5.213 -10.740 -10.278 25 HB2 GLU 5 HB2 GLU 5 6.751 -8.755 -9.086 26 HB3 GLU 5 HB1 GLU 5 6.799 -10.049 -7.886 27 HG2 GLU 5 HG2 GLU 5 7.468 -10.342 -10.817 28 HG3 GLU 5 HG1 GLU 5 8.635 -10.269 -9.494 29 H ILE 6 HN ILE 6 4.114 -9.708 -7.076 30 HA ILE 6 HA ILE 6 4.200 -12.315 -5.939 31 HB ILE 6 HB ILE 6 2.446 -10.004 -5.074 32 HG12 ILE 6 HG12 ILE 6 4.718 -9.224 -5.284 33 HG13 ILE 6 HG11 ILE 6 4.365 -9.440 -3.576 34 HG21 ILE 6 HG21 ILE 6 1.868 -12.034 -3.916 35 HG22 ILE 6 HG22 ILE 6 2.866 -11.082 -2.817 36 HG23 ILE 6 HG23 ILE 6 3.566 -12.447 -3.684 37 HD11 ILE 6 HD11 ILE 6 6.160 -11.072 -5.362 38 HD12 ILE 6 HD12 ILE 6 5.404 -11.858 -3.978 39 HD13 ILE 6 HD13 ILE 6 6.465 -10.470 -3.735 40 H CYS 7 HN CYS 7 1.762 -10.455 -7.555 41 HA CYS 7 HA CYS 7 -0.402 -12.203 -7.069 42 HB2 CYS 7 HB2 CYS 7 -0.122 -9.743 -8.375 43 HB3 CYS 7 HB1 CYS 7 -0.626 -10.835 -9.660 44 H ARG 8 HN ARG 8 1.860 -12.050 -9.708 45 HA ARG 8 HA ARG 8 0.717 -14.081 -11.293 46 HB2 ARG 8 HB2 ARG 8 3.515 -13.000 -11.179 47 HB3 ARG 8 HB1 ARG 8 2.992 -14.227 -12.334 48 HG2 ARG 8 HG2 ARG 8 1.262 -12.731 -13.208 49 HG3 ARG 8 HG1 ARG 8 1.681 -11.509 -12.005 50 HD2 ARG 8 HD2 ARG 8 2.745 -10.948 -14.128 51 HD3 ARG 8 HD1 ARG 8 3.976 -11.402 -12.954 52 HE ARG 8 HE ARG 8 3.178 -13.687 -14.436 53 HH11 ARG 8 HH11 ARG 8 4.575 -14.441 -16.062 54 HH12 ARG 8 HH12 ARG 8 5.787 -13.389 -16.712 55 HH21 ARG 8 HH21 ARG 8 4.909 -10.704 -14.702 56 HH22 ARG 8 HH22 ARG 8 5.976 -11.272 -15.941 57 H ALA 9 HN ALA 9 3.163 -14.153 -8.761 58 HA ALA 9 HA ALA 9 3.905 -16.820 -9.096 59 HB1 ALA 9 HB1 ALA 9 3.993 -15.006 -6.672 60 HB2 ALA 9 HB2 ALA 9 5.353 -15.349 -7.785 61 HB3 ALA 9 HB3 ALA 9 4.731 -16.479 -6.614 62 H ARG 10 HN ARG 10 0.959 -15.552 -7.949 63 HA ARG 10 HA ARG 10 0.424 -17.898 -6.263 64 HB2 ARG 10 HB2 ARG 10 -0.318 -15.084 -6.238 65 HB3 ARG 10 HB1 ARG 10 -1.757 -16.093 -6.141 66 HG2 ARG 10 HG2 ARG 10 -1.028 -15.721 -3.893 67 HG3 ARG 10 HG1 ARG 10 -0.560 -17.376 -4.280 68 HD2 ARG 10 HD2 ARG 10 1.721 -16.584 -4.849 69 HD3 ARG 10 HD1 ARG 10 1.242 -14.942 -4.433 70 HE ARG 10 HE ARG 10 1.296 -15.527 -2.164 71 HH11 ARG 10 HH11 ARG 10 1.945 -16.916 -0.491 72 HH12 ARG 10 HH12 ARG 10 2.329 -18.568 -0.844 73 HH21 ARG 10 HH21 ARG 10 1.685 -18.275 -4.237 74 HH22 ARG 10 HH22 ARG 10 2.183 -19.336 -2.963 75 H MET 11 HN MET 11 -0.123 -16.678 -9.379 76 HA MET 11 HA MET 11 -2.420 -18.488 -9.746 77 HB2 MET 11 HB2 MET 11 -3.114 -16.887 -11.613 78 HB3 MET 11 HB1 MET 11 -3.326 -16.330 -9.956 79 HG2 MET 11 HG2 MET 11 -0.765 -15.464 -10.492 80 HG3 MET 11 HG1 MET 11 -1.524 -15.283 -12.053 81 HE1 MET 11 HE1 MET 11 -4.768 -14.617 -10.529 82 HE2 MET 11 HE2 MET 11 -3.967 -14.738 -12.095 83 HE3 MET 11 HE3 MET 11 -4.520 -13.172 -11.510 84 H THR 12 HN THR 12 -2.602 -19.416 -11.871 85 HA THR 12 HA THR 12 -0.045 -20.246 -12.955 86 HB THR 12 HB THR 12 -1.532 -21.410 -14.657 87 HG1 THR 12 HG1 THR 12 -3.391 -20.338 -14.663 88 HG21 THR 12 HG21 THR 12 -0.689 -22.469 -12.580 89 HG22 THR 12 HG22 THR 12 -2.289 -23.066 -13.021 90 HG23 THR 12 HG23 THR 12 -2.114 -21.884 -11.723 91 H HIS 13 HN HIS 13 0.452 -20.076 -15.282 92 HA HIS 13 HA HIS 13 0.392 -17.365 -16.186 93 HB2 HIS 13 HB2 HIS 13 1.378 -18.381 -18.295 94 HB3 HIS 13 HB1 HIS 13 2.286 -18.676 -16.810 95 HD1 HIS 13 HD1 HIS 13 2.181 -21.076 -15.795 96 HD2 HIS 13 HD2 HIS 13 0.147 -20.677 -19.411 97 HE1 HIS 13 HE1 HIS 13 1.675 -23.425 -16.594 98 H LYS 14 HN LYS 14 -1.356 -20.296 -17.267 99 HA LYS 14 HA LYS 14 -2.663 -19.083 -19.400 100 HB2 LYS 14 HB2 LYS 14 -2.670 -21.429 -19.175 101 HB3 LYS 14 HB1 LYS 14 -3.420 -21.339 -17.551 102 HG2 LYS 14 HG2 LYS 14 -5.499 -20.516 -18.544 103 HG3 LYS 14 HG1 LYS 14 -4.752 -20.448 -20.137 104 HD2 LYS 14 HD2 LYS 14 -4.478 -22.901 -20.092 105 HD3 LYS 14 HD1 LYS 14 -5.247 -22.946 -18.504 106 HE2 LYS 14 HE2 LYS 14 -7.298 -21.980 -19.440 107 HE3 LYS 14 HE1 LYS 14 -6.537 -21.862 -21.027 108 HZ1 LYS 14 HZ1 LYS 14 -6.293 -24.245 -21.072 109 HZ2 LYS 14 HZ2 LYS 14 -7.923 -23.845 -20.811 110 HZ3 LYS 14 HZ3 LYS 14 -6.959 -24.383 -19.519 111 H GLU 15 HN GLU 15 -3.577 -19.285 -15.991 112 HA GLU 15 HA GLU 15 -6.108 -18.054 -16.352 113 HB2 GLU 15 HB2 GLU 15 -5.467 -19.428 -14.379 114 HB3 GLU 15 HB1 GLU 15 -4.390 -18.127 -13.868 115 HG2 GLU 15 HG2 GLU 15 -6.277 -16.577 -13.727 116 HG3 GLU 15 HG1 GLU 15 -7.374 -17.831 -14.304 117 H PHE 16 HN PHE 16 -2.937 -16.848 -15.394 118 HA PHE 16 HA PHE 16 -3.657 -14.160 -14.907 119 HB2 PHE 16 HB2 PHE 16 -1.460 -15.220 -14.300 120 HB3 PHE 16 HB1 PHE 16 -1.016 -15.114 -16.002 121 HD1 PHE 16 HD1 PHE 16 -0.200 -13.090 -16.925 122 HD2 PHE 16 HD2 PHE 16 -2.123 -13.066 -13.082 123 HE1 PHE 16 HE1 PHE 16 0.473 -10.726 -16.602 124 HE2 PHE 16 HE2 PHE 16 -1.449 -10.701 -12.762 125 HZ PHE 16 HZ PHE 16 -0.151 -9.532 -14.520 126 H ASN 17 HN ASN 17 -2.493 -15.727 -17.915 127 HA ASN 17 HA ASN 17 -2.549 -13.371 -19.488 128 HB2 ASN 17 HB2 ASN 17 -1.307 -15.147 -20.384 129 HB3 ASN 17 HB1 ASN 17 -2.576 -16.326 -20.101 130 HD21 ASN 17 HD21 ASN 17 -3.073 -16.990 -22.218 131 HD22 ASN 17 HD22 ASN 17 -3.548 -15.934 -23.459 132 H TYR 18 HN TYR 18 -5.019 -15.842 -18.865 133 HA TYR 18 HA TYR 18 -6.877 -14.958 -20.739 134 HB2 TYR 18 HB2 TYR 18 -7.118 -17.074 -19.736 135 HB3 TYR 18 HB1 TYR 18 -7.242 -16.379 -18.108 136 HD1 TYR 18 HD1 TYR 18 -8.989 -17.132 -21.236 137 HD2 TYR 18 HD2 TYR 18 -9.255 -15.027 -17.508 138 HE1 TYR 18 HE1 TYR 18 -11.436 -16.868 -21.554 139 HE2 TYR 18 HE2 TYR 18 -11.692 -14.767 -17.818 140 HH TYR 18 HH TYR 18 -13.257 -15.586 -20.818 141 H LYS 19 HN LYS 19 -6.680 -14.249 -17.321 142 HA LYS 19 HA LYS 19 -8.839 -12.427 -17.217 143 HB2 LYS 19 HB2 LYS 19 -6.437 -12.553 -15.388 144 HB3 LYS 19 HB1 LYS 19 -8.003 -11.816 -15.061 145 HG2 LYS 19 HG2 LYS 19 -7.810 -14.743 -15.744 146 HG3 LYS 19 HG1 LYS 19 -7.556 -14.187 -14.093 147 HD2 LYS 19 HD2 LYS 19 -9.778 -13.103 -14.119 148 HD3 LYS 19 HD1 LYS 19 -10.045 -13.685 -15.759 149 HE2 LYS 19 HE2 LYS 19 -9.822 -16.008 -14.978 150 HE3 LYS 19 HE1 LYS 19 -9.569 -15.426 -13.331 151 HZ1 LYS 19 HZ1 LYS 19 -11.843 -15.957 -13.512 152 HZ2 LYS 19 HZ2 LYS 19 -12.001 -15.152 -15.001 153 HZ3 LYS 19 HZ3 LYS 19 -11.761 -14.264 -13.572 154 H SER 20 HN SER 20 -5.395 -12.005 -17.749 155 HA SER 20 HA SER 20 -5.377 -9.195 -17.610 156 HB2 SER 20 HB2 SER 20 -3.276 -9.348 -18.929 157 HB3 SER 20 HB1 SER 20 -3.291 -10.527 -17.619 158 HG SER 20 HG SER 20 -2.879 -11.063 -20.088 159 H ASN 21 HN ASN 21 -5.996 -11.313 -20.292 160 HA ASN 21 HA ASN 21 -6.338 -9.307 -22.284 161 HB2 ASN 21 HB2 ASN 21 -7.194 -12.188 -22.026 162 HB3 ASN 21 HB1 ASN 21 -7.835 -11.172 -23.321 163 HD21 ASN 21 HD21 ASN 21 -5.694 -13.480 -23.129 164 HD22 ASN 21 HD22 ASN 21 -4.417 -12.864 -24.063 165 H VAL 22 HN VAL 22 -8.507 -10.693 -19.893 166 HA VAL 22 HA VAL 22 -10.914 -9.593 -20.912 167 HB VAL 22 HB VAL 22 -10.141 -10.360 -18.110 168 HG11 VAL 22 HG11 VAL 22 -12.690 -10.502 -17.888 169 HG12 VAL 22 HG12 VAL 22 -12.764 -9.510 -19.343 170 HG13 VAL 22 HG13 VAL 22 -11.992 -8.884 -17.885 171 HG21 VAL 22 HG21 VAL 22 -11.914 -11.823 -20.068 172 HG22 VAL 22 HG22 VAL 22 -11.172 -12.444 -18.594 173 HG23 VAL 22 HG23 VAL 22 -10.176 -12.096 -20.004 174 H CYS 23 HN CYS 23 -8.652 -8.437 -18.420 175 HA CYS 23 HA CYS 23 -10.005 -5.971 -17.918 176 HB2 CYS 23 HB2 CYS 23 -7.218 -6.969 -17.391 177 HB3 CYS 23 HB1 CYS 23 -7.731 -5.310 -16.996 178 H ASN 24 HN ASN 24 -7.356 -6.850 -20.152 179 HA ASN 24 HA ASN 24 -6.837 -4.183 -20.960 180 HB2 ASN 24 HB2 ASN 24 -5.302 -6.064 -21.371 181 HB3 ASN 24 HB1 ASN 24 -6.485 -6.789 -22.457 182 HD21 ASN 24 HD21 ASN 24 -5.156 -6.585 -24.361 183 HD22 ASN 24 HD22 ASN 24 -4.794 -5.072 -25.042 184 H GLY 25 HN GLY 25 -9.354 -6.481 -21.871 185 HA2 GLY 25 HA2 GLY 25 -10.076 -4.819 -24.138 186 HA3 GLY 25 HA1 GLY 25 -10.924 -6.297 -23.692 187 H CYS 26 HN CYS 26 -10.395 -4.350 -20.967 188 HA CYS 26 HA CYS 26 -13.176 -3.732 -20.840 189 HB2 CYS 26 HB2 CYS 26 -11.783 -4.424 -18.828 190 HB3 CYS 26 HB1 CYS 26 -10.993 -2.845 -18.965 191 H GLY 27 HN GLY 27 -10.312 -1.744 -21.659 192 HA2 GLY 27 HA2 GLY 27 -10.946 -0.039 -23.071 193 HA3 GLY 27 HA1 GLY 27 -12.163 0.518 -21.924 194 H ASP 28 HN ASP 28 -11.499 2.192 -20.642 195 HA ASP 28 HA ASP 28 -8.621 2.726 -20.385 196 HB2 ASP 28 HB2 ASP 28 -9.418 4.948 -19.543 197 HB3 ASP 28 HB1 ASP 28 -10.015 4.573 -21.161 198 H GLN 29 HN GLN 29 -10.564 0.791 -18.854 199 HA GLN 29 HA GLN 29 -9.913 1.662 -16.072 200 HB2 GLN 29 HB2 GLN 29 -11.695 -0.623 -16.893 201 HB3 GLN 29 HB1 GLN 29 -11.529 0.130 -15.307 202 HG2 GLN 29 HG2 GLN 29 -12.627 1.458 -17.790 203 HG3 GLN 29 HG1 GLN 29 -13.556 0.946 -16.378 204 HE21 GLN 29 HE21 GLN 29 -13.658 2.387 -14.613 205 HE22 GLN 29 HE22 GLN 29 -12.797 3.848 -14.532 206 H VAL 30 HN VAL 30 -8.357 0.148 -18.407 207 HA VAL 30 HA VAL 30 -7.662 -2.371 -17.703 208 HB VAL 30 HB VAL 30 -5.515 -0.347 -18.297 209 HG11 VAL 30 HG11 VAL 30 -4.612 -2.235 -19.630 210 HG12 VAL 30 HG12 VAL 30 -5.914 -3.251 -19.010 211 HG13 VAL 30 HG13 VAL 30 -4.714 -2.579 -17.904 212 HG21 VAL 30 HG21 VAL 30 -7.676 -1.419 -20.090 213 HG22 VAL 30 HG22 VAL 30 -6.121 -0.887 -20.733 214 HG23 VAL 30 HG23 VAL 30 -7.151 0.251 -19.867 215 H ALA 31 HN ALA 31 -6.204 0.561 -16.223 216 HA ALA 31 HA ALA 31 -4.615 -0.973 -14.495 217 HB1 ALA 31 HB1 ALA 31 -4.160 1.133 -13.315 218 HB2 ALA 31 HB2 ALA 31 -5.300 1.987 -14.367 219 HB3 ALA 31 HB3 ALA 31 -3.867 1.209 -15.052 220 H ALA 32 HN ALA 32 -7.804 0.523 -14.056 221 HA ALA 32 HA ALA 32 -7.995 -0.005 -11.321 222 HB1 ALA 32 HB1 ALA 32 -10.532 0.032 -11.989 223 HB2 ALA 32 HB2 ALA 32 -9.936 0.422 -13.600 224 HB3 ALA 32 HB3 ALA 32 -9.634 1.533 -12.278 225 H CYS 33 HN CYS 33 -8.831 -1.778 -14.205 226 HA CYS 33 HA CYS 33 -10.132 -3.957 -12.937 227 HB2 CYS 33 HB2 CYS 33 -10.395 -3.426 -15.344 228 HB3 CYS 33 HB1 CYS 33 -8.757 -3.994 -15.604 229 H GLU 34 HN GLU 34 -6.781 -3.294 -13.790 230 HA GLU 34 HA GLU 34 -5.855 -5.909 -13.155 231 HB2 GLU 34 HB2 GLU 34 -4.571 -3.301 -13.923 232 HB3 GLU 34 HB1 GLU 34 -3.575 -4.603 -13.316 233 HG2 GLU 34 HG2 GLU 34 -4.153 -6.018 -15.113 234 HG3 GLU 34 HG1 GLU 34 -5.553 -5.055 -15.561 235 H ALA 35 HN ALA 35 -6.558 -3.055 -11.321 236 HA ALA 35 HA ALA 35 -4.690 -2.835 -9.413 237 HB1 ALA 35 HB1 ALA 35 -7.630 -2.989 -8.862 238 HB2 ALA 35 HB2 ALA 35 -6.926 -1.526 -9.594 239 HB3 ALA 35 HB3 ALA 35 -6.477 -2.009 -7.986 240 H GLU 36 HN GLU 36 -7.510 -4.922 -9.050 241 HA GLU 36 HA GLU 36 -6.073 -6.243 -6.839 242 HB2 GLU 36 HB2 GLU 36 -8.992 -6.302 -7.571 243 HB3 GLU 36 HB1 GLU 36 -8.273 -7.138 -6.191 244 HG2 GLU 36 HG2 GLU 36 -8.110 -4.150 -6.662 245 HG3 GLU 36 HG1 GLU 36 -9.266 -4.923 -5.581 246 H CYS 37 HN CYS 37 -5.153 -6.978 -9.430 247 HA CYS 37 HA CYS 37 -4.857 -8.759 -10.765 248 HB2 CYS 37 HB2 CYS 37 -4.812 -9.704 -8.051 249 HB3 CYS 37 HB1 CYS 37 -5.656 -10.917 -8.998 250 H PHE 38 HN PHE 38 -7.244 -7.531 -11.139 251 HA PHE 38 HA PHE 38 -9.127 -7.863 -12.276 252 HB2 PHE 38 HB2 PHE 38 -8.903 -10.848 -12.520 253 HB3 PHE 38 HB1 PHE 38 -9.211 -9.597 -13.746 254 HD1 PHE 38 HD1 PHE 38 -6.932 -12.026 -12.900 255 HD2 PHE 38 HD2 PHE 38 -7.054 -7.837 -13.768 256 HE1 PHE 38 HE1 PHE 38 -4.555 -12.091 -13.549 257 HE2 PHE 38 HE2 PHE 38 -4.692 -7.940 -14.434 258 HZ PHE 38 HZ PHE 38 -3.437 -10.040 -14.328 259 H ARG 39 HN ARG 39 -8.702 -8.644 -9.274 260 HA ARG 39 HA ARG 39 -11.296 -9.948 -8.819 261 HB2 ARG 39 HB2 ARG 39 -9.096 -10.696 -7.604 262 HB3 ARG 39 HB1 ARG 39 -9.244 -9.176 -6.724 263 HG2 ARG 39 HG2 ARG 39 -11.483 -9.795 -5.978 264 HG3 ARG 39 HG1 ARG 39 -11.351 -11.332 -6.836 265 HD2 ARG 39 HD2 ARG 39 -9.465 -10.411 -4.649 266 HD3 ARG 39 HD1 ARG 39 -10.804 -11.530 -4.409 267 HE ARG 39 HE ARG 39 -8.269 -12.113 -5.697 268 HH11 ARG 39 HH11 ARG 39 -7.974 -14.284 -6.294 269 HH12 ARG 39 HH12 ARG 39 -9.328 -15.364 -6.309 270 HH21 ARG 39 HH21 ARG 39 -11.598 -12.952 -5.284 271 HH22 ARG 39 HH22 ARG 39 -11.382 -14.611 -5.737 272 H ASN 40 HN ASN 40 -12.295 -8.059 -9.692 273 HA ASN 40 HA ASN 40 -13.103 -6.271 -7.529 274 HB2 ASN 40 HB2 ASN 40 -12.511 -4.185 -8.804 275 HB3 ASN 40 HB1 ASN 40 -11.131 -5.141 -8.258 276 HD21 ASN 40 HD21 ASN 40 -9.689 -4.492 -9.905 277 HD22 ASN 40 HD22 ASN 40 -9.910 -4.946 -11.522 278 H ASP 41 HN ASP 41 -14.842 -4.690 -8.285 279 HA ASP 41 HA ASP 41 -16.723 -6.206 -9.668 280 HB2 ASP 41 HB2 ASP 41 -16.774 -3.227 -8.996 281 HB3 ASP 41 HB1 ASP 41 -18.199 -4.196 -9.370 282 H VAL 42 HN VAL 42 -14.492 -3.689 -10.722 283 HA VAL 42 HA VAL 42 -15.748 -3.160 -13.209 284 HB VAL 42 HB VAL 42 -12.891 -2.967 -12.192 285 HG11 VAL 42 HG11 VAL 42 -12.538 -1.580 -14.302 286 HG12 VAL 42 HG12 VAL 42 -13.993 -2.351 -14.920 287 HG13 VAL 42 HG13 VAL 42 -12.587 -3.326 -14.494 288 HG21 VAL 42 HG21 VAL 42 -13.349 -0.497 -12.484 289 HG22 VAL 42 HG22 VAL 42 -14.367 -1.282 -11.262 290 HG23 VAL 42 HG23 VAL 42 -15.025 -0.918 -12.859 291 H TYR 43 HN TYR 43 -13.333 -5.549 -12.231 292 HA TYR 43 HA TYR 43 -12.867 -6.681 -14.722 293 HB2 TYR 43 HB2 TYR 43 -11.505 -7.410 -12.856 294 HB3 TYR 43 HB1 TYR 43 -12.926 -7.876 -11.926 295 HD1 TYR 43 HD1 TYR 43 -13.717 -10.084 -12.012 296 HD2 TYR 43 HD2 TYR 43 -11.105 -8.653 -15.102 297 HE1 TYR 43 HE1 TYR 43 -13.612 -12.365 -12.975 298 HE2 TYR 43 HE2 TYR 43 -10.994 -10.937 -16.055 299 HH TYR 43 HH TYR 43 -12.981 -13.564 -14.785 300 H THR 44 HN THR 44 -15.312 -7.486 -12.268 301 HA THR 44 HA THR 44 -16.549 -9.503 -13.727 302 HB THR 44 HB THR 44 -17.735 -7.618 -11.686 303 HG1 THR 44 HG1 THR 44 -17.012 -10.348 -11.537 304 HG21 THR 44 HG21 THR 44 -19.606 -8.440 -12.950 305 HG22 THR 44 HG22 THR 44 -19.499 -9.469 -11.523 306 HG23 THR 44 HG23 THR 44 -18.902 -10.052 -13.075 307 H ALA 45 HN ALA 45 -17.354 -6.055 -13.646 308 HA ALA 45 HA ALA 45 -19.535 -5.945 -15.396 309 HB1 ALA 45 HB1 ALA 45 -19.004 -3.443 -15.281 310 HB2 ALA 45 HB2 ALA 45 -17.320 -3.893 -15.082 311 HB3 ALA 45 HB3 ALA 45 -18.460 -4.218 -13.789 312 H CYS 46 HN CYS 46 -16.000 -5.637 -15.956 313 HA CYS 46 HA CYS 46 -16.274 -5.247 -18.759 314 HB2 CYS 46 HB2 CYS 46 -13.790 -6.196 -17.270 315 HB3 CYS 46 HB1 CYS 46 -13.849 -5.440 -18.876 316 H HIS 47 HN HIS 47 -15.599 -8.079 -16.774 317 HA HIS 47 HA HIS 47 -15.207 -9.850 -18.910 318 HB2 HIS 47 HB2 HIS 47 -14.518 -10.254 -16.516 319 HB3 HIS 47 HB1 HIS 47 -16.215 -10.528 -16.136 320 HD1 HIS 47 HD1 HIS 47 -16.516 -12.995 -15.910 321 HD2 HIS 47 HD2 HIS 47 -14.096 -12.034 -19.165 322 HE1 HIS 47 HE1 HIS 47 -16.009 -15.176 -17.094 323 H GLU 48 HN GLU 48 -18.066 -9.019 -17.015 324 HA GLU 48 HA GLU 48 -19.807 -10.885 -18.265 325 HB2 GLU 48 HB2 GLU 48 -20.463 -8.318 -16.803 326 HB3 GLU 48 HB1 GLU 48 -21.589 -9.593 -17.220 327 HG2 GLU 48 HG2 GLU 48 -19.121 -10.332 -15.655 328 HG3 GLU 48 HG1 GLU 48 -20.491 -9.616 -14.814 329 H ALA 49 HN ALA 49 -18.690 -7.694 -19.072 330 HA ALA 49 HA ALA 49 -20.754 -7.119 -20.924 331 HB1 ALA 49 HB1 ALA 49 -19.415 -5.374 -19.794 332 HB2 ALA 49 HB2 ALA 49 -19.396 -5.195 -21.547 333 HB3 ALA 49 HB3 ALA 49 -18.000 -5.880 -20.714 334 H GLN 50 HN GLN 50 -17.791 -8.946 -21.037 335 HA GLN 50 HA GLN 50 -17.706 -8.833 -23.967 336 HB2 GLN 50 HB2 GLN 50 -15.852 -10.016 -21.867 337 HB3 GLN 50 HB1 GLN 50 -15.589 -10.232 -23.596 338 HG2 GLN 50 HG2 GLN 50 -15.437 -7.804 -23.887 339 HG3 GLN 50 HG1 GLN 50 -15.780 -7.565 -22.174 340 HE21 GLN 50 HE21 GLN 50 -13.250 -7.810 -24.381 341 HE22 GLN 50 HE22 GLN 50 -12.005 -8.211 -23.300 342 H LYS 51 HN LYS 51 -18.260 -10.439 -25.257 343 HA LYS 51 HA LYS 51 -19.921 -12.542 -24.207 344 HB2 LYS 51 HB2 LYS 51 -18.834 -12.223 -27.015 345 HB3 LYS 51 HB1 LYS 51 -20.228 -13.181 -26.518 346 HG2 LYS 51 HG2 LYS 51 -20.014 -10.177 -26.186 347 HG3 LYS 51 HG1 LYS 51 -20.864 -10.973 -27.510 348 HD2 LYS 51 HD2 LYS 51 -22.181 -12.216 -25.646 349 HD3 LYS 51 HD1 LYS 51 -21.548 -10.972 -24.567 350 HE2 LYS 51 HE2 LYS 51 -23.102 -10.411 -27.101 351 HE3 LYS 51 HE1 LYS 51 -23.782 -10.385 -25.474 352 HZ1 LYS 51 HZ1 LYS 51 -22.360 -8.611 -24.865 353 HZ2 LYS 51 HZ2 LYS 51 -23.062 -8.181 -26.351 354 HZ3 LYS 51 HZ3 LYS 51 -21.458 -8.739 -26.296 Start of MODEL 15 1 H1 SER 1 HT1 SER 1 5.948 -1.506 -12.862 2 HA SER 1 HA SER 1 3.272 -0.742 -13.245 3 HB2 SER 1 HB2 SER 1 2.397 -3.159 -13.265 4 HB3 SER 1 HB1 SER 1 2.946 -2.500 -14.804 5 HG SER 1 HG SER 1 4.971 -3.612 -13.372 6 H GLU 2 HN GLU 2 1.974 -2.031 -11.475 7 HA GLU 2 HA GLU 2 3.448 -1.673 -9.059 8 HB2 GLU 2 HB2 GLU 2 0.640 -2.462 -9.759 9 HB3 GLU 2 HB1 GLU 2 1.208 -2.761 -8.117 10 HG2 GLU 2 HG2 GLU 2 1.617 -0.469 -7.713 11 HG3 GLU 2 HG1 GLU 2 1.557 -0.066 -9.428 12 HA PRO 3 HA PRO 3 5.077 -5.739 -8.141 13 HB2 PRO 3 HB2 PRO 3 3.389 -5.682 -5.690 14 HB3 PRO 3 HB1 PRO 3 5.139 -5.944 -5.830 15 HG2 PRO 3 HG2 PRO 3 4.039 -3.636 -4.928 16 HG3 PRO 3 HG1 PRO 3 5.607 -3.714 -5.747 17 HD2 PRO 3 HD2 PRO 3 3.064 -2.587 -6.724 18 HD3 PRO 3 HD1 PRO 3 4.714 -2.349 -7.340 19 H ASP 4 HN ASP 4 3.868 -6.260 -9.818 20 HA ASP 4 HA ASP 4 1.487 -7.942 -9.473 21 HB2 ASP 4 HB2 ASP 4 1.408 -6.870 -11.563 22 HB3 ASP 4 HB1 ASP 4 3.098 -7.249 -11.935 23 H GLU 5 HN GLU 5 5.040 -8.399 -9.618 24 HA GLU 5 HA GLU 5 5.203 -11.008 -10.485 25 HB2 GLU 5 HB2 GLU 5 6.721 -9.901 -8.143 26 HB3 GLU 5 HB1 GLU 5 7.241 -11.104 -9.320 27 HG2 GLU 5 HG2 GLU 5 6.638 -8.200 -9.970 28 HG3 GLU 5 HG1 GLU 5 8.236 -8.909 -9.825 29 H ILE 6 HN ILE 6 4.351 -9.886 -7.248 30 HA ILE 6 HA ILE 6 4.283 -12.428 -6.013 31 HB ILE 6 HB ILE 6 2.654 -9.982 -5.275 32 HG12 ILE 6 HG12 ILE 6 4.984 -9.320 -5.520 33 HG13 ILE 6 HG11 ILE 6 4.612 -9.439 -3.804 34 HG21 ILE 6 HG21 ILE 6 3.738 -12.291 -3.638 35 HG22 ILE 6 HG22 ILE 6 2.050 -12.065 -4.093 36 HG23 ILE 6 HG23 ILE 6 2.831 -10.921 -3.000 37 HD11 ILE 6 HD11 ILE 6 5.509 -11.902 -4.052 38 HD12 ILE 6 HD12 ILE 6 6.657 -10.572 -3.939 39 HD13 ILE 6 HD13 ILE 6 6.276 -11.275 -5.510 40 H CYS 7 HN CYS 7 1.806 -10.466 -7.584 41 HA CYS 7 HA CYS 7 -0.361 -12.168 -7.010 42 HB2 CYS 7 HB2 CYS 7 -0.104 -9.725 -8.311 43 HB3 CYS 7 HB1 CYS 7 -0.581 -10.803 -9.617 44 H ARG 8 HN ARG 8 1.824 -12.082 -9.717 45 HA ARG 8 HA ARG 8 0.612 -14.140 -11.235 46 HB2 ARG 8 HB2 ARG 8 3.403 -13.031 -11.245 47 HB3 ARG 8 HB1 ARG 8 2.903 -14.337 -12.320 48 HG2 ARG 8 HG2 ARG 8 1.112 -12.937 -13.239 49 HG3 ARG 8 HG1 ARG 8 1.540 -11.631 -12.131 50 HD2 ARG 8 HD2 ARG 8 2.541 -11.220 -14.330 51 HD3 ARG 8 HD1 ARG 8 3.803 -11.541 -13.142 52 HE ARG 8 HE ARG 8 3.041 -13.958 -14.418 53 HH11 ARG 8 HH11 ARG 8 4.435 -14.802 -16.003 54 HH12 ARG 8 HH12 ARG 8 5.609 -13.774 -16.754 55 HH21 ARG 8 HH21 ARG 8 4.684 -10.959 -14.950 56 HH22 ARG 8 HH22 ARG 8 5.749 -11.597 -16.158 57 H ALA 9 HN ALA 9 3.083 -14.197 -8.753 58 HA ALA 9 HA ALA 9 3.870 -16.849 -9.057 59 HB1 ALA 9 HB1 ALA 9 4.777 -16.511 -6.683 60 HB2 ALA 9 HB2 ALA 9 3.839 -15.170 -6.540 61 HB3 ALA 9 HB3 ALA 9 5.176 -15.212 -7.760 62 H ARG 10 HN ARG 10 0.894 -15.609 -7.914 63 HA ARG 10 HA ARG 10 0.335 -17.969 -6.259 64 HB2 ARG 10 HB2 ARG 10 -0.481 -15.151 -6.302 65 HB3 ARG 10 HB1 ARG 10 -1.852 -16.249 -6.069 66 HG2 ARG 10 HG2 ARG 10 -0.649 -17.321 -4.195 67 HG3 ARG 10 HG1 ARG 10 0.709 -16.222 -4.436 68 HD2 ARG 10 HD2 ARG 10 -0.772 -14.301 -3.985 69 HD3 ARG 10 HD1 ARG 10 -2.120 -15.405 -3.725 70 HE ARG 10 HE ARG 10 0.121 -14.935 -1.915 71 HH11 ARG 10 HH11 ARG 10 -0.095 -15.902 0.127 72 HH12 ARG 10 HH12 ARG 10 -1.336 -17.080 0.397 73 HH21 ARG 10 HH21 ARG 10 -2.562 -16.919 -2.842 74 HH22 ARG 10 HH22 ARG 10 -2.733 -17.656 -1.284 75 H MET 11 HN MET 11 -0.183 -16.738 -9.390 76 HA MET 11 HA MET 11 -2.457 -18.574 -9.773 77 HB2 MET 11 HB2 MET 11 -3.209 -16.983 -11.605 78 HB3 MET 11 HB1 MET 11 -3.368 -16.411 -9.946 79 HG2 MET 11 HG2 MET 11 -0.997 -15.398 -10.333 80 HG3 MET 11 HG1 MET 11 -1.355 -15.597 -12.032 81 HE1 MET 11 HE1 MET 11 -3.775 -15.105 -12.852 82 HE2 MET 11 HE2 MET 11 -4.754 -13.740 -12.327 83 HE3 MET 11 HE3 MET 11 -4.760 -15.228 -11.389 84 H THR 12 HN THR 12 -2.619 -19.499 -11.916 85 HA THR 12 HA THR 12 -0.054 -20.295 -12.982 86 HB THR 12 HB THR 12 -1.512 -21.429 -14.724 87 HG1 THR 12 HG1 THR 12 -3.629 -21.185 -14.584 88 HG21 THR 12 HG21 THR 12 -2.399 -23.068 -13.070 89 HG22 THR 12 HG22 THR 12 -2.030 -21.919 -11.782 90 HG23 THR 12 HG23 THR 12 -0.726 -22.612 -12.747 91 H HIS 13 HN HIS 13 0.476 -20.076 -15.307 92 HA HIS 13 HA HIS 13 0.398 -17.339 -16.167 93 HB2 HIS 13 HB2 HIS 13 1.252 -19.883 -17.579 94 HB3 HIS 13 HB1 HIS 13 1.466 -18.263 -18.243 95 HD1 HIS 13 HD1 HIS 13 2.659 -20.507 -15.465 96 HD2 HIS 13 HD2 HIS 13 3.553 -16.761 -17.062 97 HE1 HIS 13 HE1 HIS 13 4.832 -19.770 -14.391 98 H LYS 14 HN LYS 14 -1.325 -20.266 -17.278 99 HA LYS 14 HA LYS 14 -2.603 -19.045 -19.432 100 HB2 LYS 14 HB2 LYS 14 -4.111 -20.940 -19.356 101 HB3 LYS 14 HB1 LYS 14 -2.529 -21.522 -18.840 102 HG2 LYS 14 HG2 LYS 14 -3.265 -21.109 -16.446 103 HG3 LYS 14 HG1 LYS 14 -4.884 -20.811 -17.079 104 HD2 LYS 14 HD2 LYS 14 -4.830 -23.075 -18.143 105 HD3 LYS 14 HD1 LYS 14 -3.303 -23.375 -17.310 106 HE2 LYS 14 HE2 LYS 14 -5.877 -22.605 -15.906 107 HE3 LYS 14 HE1 LYS 14 -5.299 -24.263 -16.068 108 HZ1 LYS 14 HZ1 LYS 14 -3.150 -22.856 -15.117 109 HZ2 LYS 14 HZ2 LYS 14 -4.153 -23.894 -14.221 110 HZ3 LYS 14 HZ3 LYS 14 -4.468 -22.225 -14.255 111 H GLU 15 HN GLU 15 -3.532 -19.229 -16.028 112 HA GLU 15 HA GLU 15 -6.058 -17.977 -16.364 113 HB2 GLU 15 HB2 GLU 15 -4.251 -18.403 -13.989 114 HB3 GLU 15 HB1 GLU 15 -5.761 -17.509 -13.838 115 HG2 GLU 15 HG2 GLU 15 -7.014 -19.407 -14.713 116 HG3 GLU 15 HG1 GLU 15 -5.521 -20.321 -14.927 117 H PHE 16 HN PHE 16 -2.886 -16.782 -15.402 118 HA PHE 16 HA PHE 16 -3.611 -14.103 -14.940 119 HB2 PHE 16 HB2 PHE 16 -1.429 -15.051 -14.264 120 HB3 PHE 16 HB1 PHE 16 -0.962 -15.142 -15.965 121 HD1 PHE 16 HD1 PHE 16 -0.003 -13.266 -17.034 122 HD2 PHE 16 HD2 PHE 16 -2.140 -12.738 -13.342 123 HE1 PHE 16 HE1 PHE 16 0.731 -10.898 -16.947 124 HE2 PHE 16 HE2 PHE 16 -1.406 -10.370 -13.261 125 HZ PHE 16 HZ PHE 16 0.030 -9.451 -15.060 126 H ASN 17 HN ASN 17 -2.452 -15.686 -17.943 127 HA ASN 17 HA ASN 17 -2.499 -13.328 -19.530 128 HB2 ASN 17 HB2 ASN 17 -2.664 -16.276 -20.191 129 HB3 ASN 17 HB1 ASN 17 -2.598 -15.009 -21.417 130 HD21 ASN 17 HD21 ASN 17 -0.509 -16.959 -21.161 131 HD22 ASN 17 HD22 ASN 17 0.896 -16.162 -20.637 132 H TYR 18 HN TYR 18 -4.942 -15.839 -18.904 133 HA TYR 18 HA TYR 18 -6.827 -14.974 -20.768 134 HB2 TYR 18 HB2 TYR 18 -7.077 -17.111 -19.798 135 HB3 TYR 18 HB1 TYR 18 -7.129 -16.449 -18.156 136 HD1 TYR 18 HD1 TYR 18 -9.091 -15.137 -17.409 137 HD2 TYR 18 HD2 TYR 18 -9.022 -17.081 -21.236 138 HE1 TYR 18 HE1 TYR 18 -11.541 -14.850 -17.588 139 HE2 TYR 18 HE2 TYR 18 -11.481 -16.801 -21.418 140 HH TYR 18 HH TYR 18 -13.421 -16.512 -19.803 141 H LYS 19 HN LYS 19 -6.671 -14.323 -17.319 142 HA LYS 19 HA LYS 19 -8.860 -12.540 -17.206 143 HB2 LYS 19 HB2 LYS 19 -6.498 -12.785 -15.335 144 HB3 LYS 19 HB1 LYS 19 -8.013 -11.936 -15.015 145 HG2 LYS 19 HG2 LYS 19 -9.268 -14.056 -15.331 146 HG3 LYS 19 HG1 LYS 19 -7.741 -14.911 -15.563 147 HD2 LYS 19 HD2 LYS 19 -7.010 -14.178 -13.324 148 HD3 LYS 19 HD1 LYS 19 -8.577 -13.399 -13.089 149 HE2 LYS 19 HE2 LYS 19 -8.133 -16.351 -13.594 150 HE3 LYS 19 HE1 LYS 19 -8.524 -15.626 -12.034 151 HZ1 LYS 19 HZ1 LYS 19 -10.257 -16.319 -14.161 152 HZ2 LYS 19 HZ2 LYS 19 -10.391 -14.660 -13.818 153 HZ3 LYS 19 HZ3 LYS 19 -10.643 -15.809 -12.590 154 H SER 20 HN SER 20 -5.407 -12.069 -17.690 155 HA SER 20 HA SER 20 -5.421 -9.254 -17.496 156 HB2 SER 20 HB2 SER 20 -3.602 -11.099 -19.077 157 HB3 SER 20 HB1 SER 20 -3.299 -9.381 -18.826 158 HG SER 20 HG SER 20 -2.769 -11.439 -17.209 159 H ASN 21 HN ASN 21 -5.947 -11.351 -20.227 160 HA ASN 21 HA ASN 21 -6.259 -9.334 -22.221 161 HB2 ASN 21 HB2 ASN 21 -5.938 -11.741 -22.736 162 HB3 ASN 21 HB1 ASN 21 -7.539 -12.072 -22.065 163 HD21 ASN 21 HD21 ASN 21 -8.438 -12.721 -24.151 164 HD22 ASN 21 HD22 ASN 21 -8.711 -11.587 -25.386 165 H VAL 22 HN VAL 22 -8.466 -10.730 -19.875 166 HA VAL 22 HA VAL 22 -10.866 -9.634 -20.924 167 HB VAL 22 HB VAL 22 -10.127 -10.384 -18.105 168 HG11 VAL 22 HG11 VAL 22 -11.975 -8.946 -17.837 169 HG12 VAL 22 HG12 VAL 22 -12.712 -10.542 -17.961 170 HG13 VAL 22 HG13 VAL 22 -12.710 -9.462 -19.355 171 HG21 VAL 22 HG21 VAL 22 -11.873 -11.845 -20.087 172 HG22 VAL 22 HG22 VAL 22 -11.177 -12.466 -18.590 173 HG23 VAL 22 HG23 VAL 22 -10.141 -12.135 -19.975 174 H CYS 23 HN CYS 23 -8.618 -8.465 -18.418 175 HA CYS 23 HA CYS 23 -9.985 -6.001 -17.923 176 HB2 CYS 23 HB2 CYS 23 -7.168 -6.966 -17.416 177 HB3 CYS 23 HB1 CYS 23 -7.704 -5.303 -17.033 178 H ASN 24 HN ASN 24 -7.330 -6.861 -20.160 179 HA ASN 24 HA ASN 24 -6.844 -4.181 -20.960 180 HB2 ASN 24 HB2 ASN 24 -6.411 -6.843 -22.333 181 HB3 ASN 24 HB1 ASN 24 -5.857 -5.304 -22.994 182 HD21 ASN 24 HD21 ASN 24 -4.026 -7.386 -22.242 183 HD22 ASN 24 HD22 ASN 24 -3.121 -6.839 -20.915 184 H GLY 25 HN GLY 25 -9.344 -6.504 -21.866 185 HA2 GLY 25 HA2 GLY 25 -10.094 -4.845 -24.131 186 HA3 GLY 25 HA1 GLY 25 -10.928 -6.320 -23.659 187 H CYS 26 HN CYS 26 -10.380 -4.361 -20.964 188 HA CYS 26 HA CYS 26 -13.174 -3.767 -20.822 189 HB2 CYS 26 HB2 CYS 26 -11.784 -4.426 -18.802 190 HB3 CYS 26 HB1 CYS 26 -11.003 -2.842 -18.938 191 H GLY 27 HN GLY 27 -10.334 -1.775 -21.685 192 HA2 GLY 27 HA2 GLY 27 -10.990 -0.027 -23.093 193 HA3 GLY 27 HA1 GLY 27 -12.194 0.500 -21.934 194 H ASP 28 HN ASP 28 -11.556 2.176 -20.655 195 HA ASP 28 HA ASP 28 -8.679 2.732 -20.378 196 HB2 ASP 28 HB2 ASP 28 -11.181 4.354 -19.871 197 HB3 ASP 28 HB1 ASP 28 -9.566 4.929 -19.443 198 H GLN 29 HN GLN 29 -10.613 0.778 -18.867 199 HA GLN 29 HA GLN 29 -9.973 1.635 -16.084 200 HB2 GLN 29 HB2 GLN 29 -11.734 -0.666 -16.923 201 HB3 GLN 29 HB1 GLN 29 -11.573 0.077 -15.329 202 HG2 GLN 29 HG2 GLN 29 -13.569 0.986 -16.226 203 HG3 GLN 29 HG1 GLN 29 -12.353 2.250 -16.419 204 HE21 GLN 29 HE21 GLN 29 -12.997 3.247 -18.373 205 HE22 GLN 29 HE22 GLN 29 -13.195 2.411 -19.837 206 H VAL 30 HN VAL 30 -8.368 0.167 -18.414 207 HA VAL 30 HA VAL 30 -7.663 -2.337 -17.721 208 HB VAL 30 HB VAL 30 -5.530 -0.288 -18.310 209 HG11 VAL 30 HG11 VAL 30 -4.633 -2.176 -19.676 210 HG12 VAL 30 HG12 VAL 30 -5.925 -3.197 -19.042 211 HG13 VAL 30 HG13 VAL 30 -4.713 -2.527 -17.950 212 HG21 VAL 30 HG21 VAL 30 -6.144 -0.787 -20.742 213 HG22 VAL 30 HG22 VAL 30 -7.204 0.303 -19.850 214 HG23 VAL 30 HG23 VAL 30 -7.681 -1.376 -20.110 215 H ALA 31 HN ALA 31 -6.228 0.614 -16.236 216 HA ALA 31 HA ALA 31 -4.600 -0.924 -14.529 217 HB1 ALA 31 HB1 ALA 31 -3.911 1.297 -15.094 218 HB2 ALA 31 HB2 ALA 31 -4.137 1.166 -13.354 219 HB3 ALA 31 HB3 ALA 31 -5.319 2.031 -14.331 220 H ALA 32 HN ALA 32 -7.796 0.567 -14.053 221 HA ALA 32 HA ALA 32 -7.993 0.008 -11.309 222 HB1 ALA 32 HB1 ALA 32 -9.945 0.412 -13.574 223 HB2 ALA 32 HB2 ALA 32 -9.643 1.518 -12.253 224 HB3 ALA 32 HB3 ALA 32 -10.524 0.010 -11.963 225 H CYS 33 HN CYS 33 -8.788 -1.768 -14.196 226 HA CYS 33 HA CYS 33 -10.042 -3.967 -12.946 227 HB2 CYS 33 HB2 CYS 33 -10.319 -3.405 -15.349 228 HB3 CYS 33 HB1 CYS 33 -8.681 -3.976 -15.614 229 H GLU 34 HN GLU 34 -6.718 -3.236 -13.788 230 HA GLU 34 HA GLU 34 -5.736 -5.834 -13.164 231 HB2 GLU 34 HB2 GLU 34 -4.509 -3.183 -13.892 232 HB3 GLU 34 HB1 GLU 34 -3.485 -4.471 -13.302 233 HG2 GLU 34 HG2 GLU 34 -4.000 -5.865 -15.133 234 HG3 GLU 34 HG1 GLU 34 -5.448 -4.959 -15.554 235 H ALA 35 HN ALA 35 -6.504 -2.989 -11.317 236 HA ALA 35 HA ALA 35 -4.674 -2.744 -9.374 237 HB1 ALA 35 HB1 ALA 35 -6.927 -1.486 -9.595 238 HB2 ALA 35 HB2 ALA 35 -6.484 -1.925 -7.986 239 HB3 ALA 35 HB3 ALA 35 -7.621 -2.941 -8.862 240 H GLU 36 HN GLU 36 -7.462 -4.877 -9.060 241 HA GLU 36 HA GLU 36 -6.048 -6.167 -6.818 242 HB2 GLU 36 HB2 GLU 36 -8.973 -6.189 -7.559 243 HB3 GLU 36 HB1 GLU 36 -8.273 -7.102 -6.222 244 HG2 GLU 36 HG2 GLU 36 -7.453 -5.034 -5.198 245 HG3 GLU 36 HG1 GLU 36 -8.083 -4.097 -6.552 246 H CYS 37 HN CYS 37 -5.120 -6.890 -9.411 247 HA CYS 37 HA CYS 37 -4.800 -8.684 -10.748 248 HB2 CYS 37 HB2 CYS 37 -4.765 -9.605 -8.030 249 HB3 CYS 37 HB1 CYS 37 -5.612 -10.827 -8.960 250 H PHE 38 HN PHE 38 -7.204 -7.458 -11.125 251 HA PHE 38 HA PHE 38 -9.085 -7.782 -12.276 252 HB2 PHE 38 HB2 PHE 38 -8.801 -10.767 -12.515 253 HB3 PHE 38 HB1 PHE 38 -9.165 -9.527 -13.739 254 HD1 PHE 38 HD1 PHE 38 -7.035 -7.690 -13.681 255 HD2 PHE 38 HD2 PHE 38 -6.824 -11.907 -13.020 256 HE1 PHE 38 HE1 PHE 38 -4.675 -7.703 -14.369 257 HE2 PHE 38 HE2 PHE 38 -4.454 -11.904 -13.722 258 HZ PHE 38 HZ PHE 38 -3.377 -9.788 -14.397 259 H ARG 39 HN ARG 39 -8.669 -8.605 -9.266 260 HA ARG 39 HA ARG 39 -11.263 -9.930 -8.843 261 HB2 ARG 39 HB2 ARG 39 -9.099 -10.677 -7.634 262 HB3 ARG 39 HB1 ARG 39 -9.218 -9.163 -6.742 263 HG2 ARG 39 HG2 ARG 39 -11.487 -9.775 -6.007 264 HG3 ARG 39 HG1 ARG 39 -11.331 -11.317 -6.852 265 HD2 ARG 39 HD2 ARG 39 -9.293 -11.796 -5.467 266 HD3 ARG 39 HD1 ARG 39 -9.629 -10.330 -4.549 267 HE ARG 39 HE ARG 39 -11.121 -12.833 -4.438 268 HH11 ARG 39 HH11 ARG 39 -12.678 -12.936 -2.796 269 HH12 ARG 39 HH12 ARG 39 -13.127 -11.498 -1.940 270 HH21 ARG 39 HH21 ARG 39 -10.973 -9.447 -3.724 271 HH22 ARG 39 HH22 ARG 39 -12.160 -9.524 -2.466 272 H ASN 40 HN ASN 40 -12.316 -8.049 -9.666 273 HA ASN 40 HA ASN 40 -13.117 -6.305 -7.481 274 HB2 ASN 40 HB2 ASN 40 -12.487 -4.207 -8.499 275 HB3 ASN 40 HB1 ASN 40 -11.059 -5.255 -8.399 276 HD21 ASN 40 HD21 ASN 40 -10.996 -3.197 -10.233 277 HD22 ASN 40 HD22 ASN 40 -11.188 -3.803 -11.800 278 H ASP 41 HN ASP 41 -14.865 -4.719 -8.253 279 HA ASP 41 HA ASP 41 -16.738 -6.246 -9.640 280 HB2 ASP 41 HB2 ASP 41 -17.465 -4.604 -7.928 281 HB3 ASP 41 HB1 ASP 41 -16.714 -3.304 -8.844 282 H VAL 42 HN VAL 42 -14.525 -3.695 -10.691 283 HA VAL 42 HA VAL 42 -15.763 -3.200 -13.185 284 HB VAL 42 HB VAL 42 -12.900 -2.983 -12.215 285 HG11 VAL 42 HG11 VAL 42 -14.054 -2.312 -14.904 286 HG12 VAL 42 HG12 VAL 42 -12.660 -3.331 -14.536 287 HG13 VAL 42 HG13 VAL 42 -12.571 -1.597 -14.290 288 HG21 VAL 42 HG21 VAL 42 -13.380 -0.529 -12.476 289 HG22 VAL 42 HG22 VAL 42 -14.341 -1.334 -11.222 290 HG23 VAL 42 HG23 VAL 42 -15.068 -0.958 -12.785 291 H TYR 43 HN TYR 43 -13.328 -5.570 -12.213 292 HA TYR 43 HA TYR 43 -12.848 -6.717 -14.694 293 HB2 TYR 43 HB2 TYR 43 -11.510 -7.424 -12.801 294 HB3 TYR 43 HB1 TYR 43 -12.943 -7.916 -11.905 295 HD1 TYR 43 HD1 TYR 43 -13.656 -10.141 -11.979 296 HD2 TYR 43 HD2 TYR 43 -11.091 -8.643 -15.081 297 HE1 TYR 43 HE1 TYR 43 -13.501 -12.416 -12.944 298 HE2 TYR 43 HE2 TYR 43 -10.936 -10.923 -16.037 299 HH TYR 43 HH TYR 43 -12.709 -13.115 -15.857 300 H THR 44 HN THR 44 -15.296 -7.561 -12.255 301 HA THR 44 HA THR 44 -16.505 -9.591 -13.731 302 HB THR 44 HB THR 44 -17.728 -7.724 -11.692 303 HG1 THR 44 HG1 THR 44 -16.556 -8.978 -10.508 304 HG21 THR 44 HG21 THR 44 -18.830 -10.189 -13.071 305 HG22 THR 44 HG22 THR 44 -19.566 -8.589 -12.985 306 HG23 THR 44 HG23 THR 44 -19.462 -9.590 -11.537 307 H ALA 45 HN ALA 45 -17.378 -6.161 -13.637 308 HA ALA 45 HA ALA 45 -19.554 -6.098 -15.408 309 HB1 ALA 45 HB1 ALA 45 -18.757 -4.316 -13.812 310 HB2 ALA 45 HB2 ALA 45 -18.929 -3.567 -15.372 311 HB3 ALA 45 HB3 ALA 45 -17.356 -4.094 -14.830 312 H CYS 46 HN CYS 46 -16.023 -5.659 -15.950 313 HA CYS 46 HA CYS 46 -16.274 -5.229 -18.749 314 HB2 CYS 46 HB2 CYS 46 -13.806 -6.178 -17.219 315 HB3 CYS 46 HB1 CYS 46 -13.845 -5.432 -18.833 316 H HIS 47 HN HIS 47 -15.600 -8.076 -16.773 317 HA HIS 47 HA HIS 47 -15.233 -9.822 -18.950 318 HB2 HIS 47 HB2 HIS 47 -14.530 -10.277 -16.577 319 HB3 HIS 47 HB1 HIS 47 -16.226 -10.537 -16.182 320 HD1 HIS 47 HD1 HIS 47 -14.920 -11.665 -19.502 321 HD2 HIS 47 HD2 HIS 47 -15.773 -13.342 -15.781 322 HE1 HIS 47 HE1 HIS 47 -14.866 -14.178 -19.819 323 H GLU 48 HN GLU 48 -18.102 -8.980 -17.024 324 HA GLU 48 HA GLU 48 -19.844 -10.809 -18.278 325 HB2 GLU 48 HB2 GLU 48 -19.994 -8.991 -16.138 326 HB3 GLU 48 HB1 GLU 48 -21.179 -8.396 -17.275 327 HG2 GLU 48 HG2 GLU 48 -21.997 -10.811 -17.422 328 HG3 GLU 48 HG1 GLU 48 -20.969 -11.114 -16.020 329 H ALA 49 HN ALA 49 -18.737 -7.606 -19.071 330 HA ALA 49 HA ALA 49 -20.782 -7.054 -20.954 331 HB1 ALA 49 HB1 ALA 49 -18.048 -5.808 -20.599 332 HB2 ALA 49 HB2 ALA 49 -19.560 -5.253 -19.881 333 HB3 ALA 49 HB3 ALA 49 -19.330 -5.165 -21.628 334 H GLN 50 HN GLN 50 -17.814 -8.864 -21.043 335 HA GLN 50 HA GLN 50 -17.715 -8.762 -23.973 336 HB2 GLN 50 HB2 GLN 50 -15.863 -9.952 -21.872 337 HB3 GLN 50 HB1 GLN 50 -15.597 -10.139 -23.609 338 HG2 GLN 50 HG2 GLN 50 -15.449 -7.714 -23.869 339 HG3 GLN 50 HG1 GLN 50 -15.816 -7.488 -22.159 340 HE21 GLN 50 HE21 GLN 50 -13.508 -6.340 -22.620 341 HE22 GLN 50 HE22 GLN 50 -12.169 -7.312 -22.244 342 H LYS 51 HN LYS 51 -18.332 -10.362 -25.242 343 HA LYS 51 HA LYS 51 -19.944 -12.479 -24.147 344 HB2 LYS 51 HB2 LYS 51 -19.014 -11.873 -26.965 345 HB3 LYS 51 HB1 LYS 51 -20.110 -13.192 -26.551 346 HG2 LYS 51 HG2 LYS 51 -21.687 -11.575 -25.561 347 HG3 LYS 51 HG1 LYS 51 -20.596 -10.255 -25.983 348 HD2 LYS 51 HD2 LYS 51 -20.826 -10.777 -28.360 349 HD3 LYS 51 HD1 LYS 51 -21.843 -12.167 -27.978 350 HE2 LYS 51 HE2 LYS 51 -23.228 -10.238 -28.626 351 HE3 LYS 51 HE1 LYS 51 -23.506 -10.664 -26.938 352 HZ1 LYS 51 HZ1 LYS 51 -23.223 -8.278 -27.223 353 HZ2 LYS 51 HZ2 LYS 51 -21.685 -8.524 -27.902 354 HZ3 LYS 51 HZ3 LYS 51 -21.973 -8.926 -26.276 Start of MODEL 16 1 H1 SER 1 HT1 SER 1 5.893 -2.071 -13.976 2 HA SER 1 HA SER 1 4.333 -0.704 -13.202 3 HB2 SER 1 HB2 SER 1 2.678 -1.990 -14.653 4 HB3 SER 1 HB1 SER 1 2.307 -2.950 -13.223 5 HG SER 1 HG SER 1 0.924 -1.112 -13.503 6 H GLU 2 HN GLU 2 2.109 -1.922 -11.439 7 HA GLU 2 HA GLU 2 3.517 -1.643 -9.006 8 HB2 GLU 2 HB2 GLU 2 0.726 -2.550 -9.710 9 HB3 GLU 2 HB1 GLU 2 1.300 -2.605 -8.042 10 HG2 GLU 2 HG2 GLU 2 0.131 -0.480 -8.525 11 HG3 GLU 2 HG1 GLU 2 1.828 -0.213 -8.128 12 HA PRO 3 HA PRO 3 5.133 -5.722 -8.073 13 HB2 PRO 3 HB2 PRO 3 3.460 -5.620 -5.617 14 HB3 PRO 3 HB1 PRO 3 5.209 -5.895 -5.759 15 HG2 PRO 3 HG2 PRO 3 4.093 -3.561 -4.894 16 HG3 PRO 3 HG1 PRO 3 5.689 -3.668 -5.654 17 HD2 PRO 3 HD2 PRO 3 3.224 -2.483 -6.715 18 HD3 PRO 3 HD1 PRO 3 4.886 -2.350 -7.332 19 H ASP 4 HN ASP 4 3.947 -6.244 -9.712 20 HA ASP 4 HA ASP 4 1.565 -7.932 -9.387 21 HB2 ASP 4 HB2 ASP 4 1.518 -6.914 -11.508 22 HB3 ASP 4 HB1 ASP 4 3.207 -7.305 -11.849 23 H GLU 5 HN GLU 5 5.134 -8.421 -9.487 24 HA GLU 5 HA GLU 5 5.255 -11.041 -10.277 25 HB2 GLU 5 HB2 GLU 5 7.142 -11.134 -8.535 26 HB3 GLU 5 HB1 GLU 5 7.251 -9.945 -9.835 27 HG2 GLU 5 HG2 GLU 5 6.397 -8.196 -8.365 28 HG3 GLU 5 HG1 GLU 5 6.126 -9.374 -7.091 29 H ILE 6 HN ILE 6 4.251 -9.877 -7.115 30 HA ILE 6 HA ILE 6 4.159 -12.388 -5.817 31 HB ILE 6 HB ILE 6 2.465 -9.945 -5.216 32 HG12 ILE 6 HG12 ILE 6 4.754 -9.190 -5.317 33 HG13 ILE 6 HG11 ILE 6 4.344 -9.379 -3.622 34 HG21 ILE 6 HG21 ILE 6 3.515 -12.196 -3.482 35 HG22 ILE 6 HG22 ILE 6 1.843 -12.001 -4.008 36 HG23 ILE 6 HG23 ILE 6 2.568 -10.823 -2.912 37 HD11 ILE 6 HD11 ILE 6 5.343 -11.767 -3.855 38 HD12 ILE 6 HD12 ILE 6 6.460 -10.406 -3.781 39 HD13 ILE 6 HD13 ILE 6 6.085 -11.152 -5.334 40 H CYS 7 HN CYS 7 1.768 -10.474 -7.544 41 HA CYS 7 HA CYS 7 -0.399 -12.209 -7.042 42 HB2 CYS 7 HB2 CYS 7 -0.134 -9.741 -8.342 43 HB3 CYS 7 HB1 CYS 7 -0.637 -10.833 -9.628 44 H ARG 8 HN ARG 8 1.863 -12.056 -9.682 45 HA ARG 8 HA ARG 8 0.724 -14.077 -11.295 46 HB2 ARG 8 HB2 ARG 8 2.357 -12.456 -12.131 47 HB3 ARG 8 HB1 ARG 8 3.614 -13.241 -11.171 48 HG2 ARG 8 HG2 ARG 8 3.206 -15.368 -12.377 49 HG3 ARG 8 HG1 ARG 8 1.945 -14.580 -13.328 50 HD2 ARG 8 HD2 ARG 8 4.022 -14.635 -14.603 51 HD3 ARG 8 HD1 ARG 8 3.628 -12.971 -14.176 52 HE ARG 8 HE ARG 8 5.477 -12.934 -12.739 53 HH11 ARG 8 HH11 ARG 8 7.440 -13.802 -11.994 54 HH12 ARG 8 HH12 ARG 8 7.802 -15.472 -12.272 55 HH21 ARG 8 HH21 ARG 8 4.827 -16.116 -13.933 56 HH22 ARG 8 HH22 ARG 8 6.323 -16.783 -13.370 57 H ALA 9 HN ALA 9 3.193 -14.168 -8.805 58 HA ALA 9 HA ALA 9 3.931 -16.837 -9.119 59 HB1 ALA 9 HB1 ALA 9 5.295 -15.219 -7.817 60 HB2 ALA 9 HB2 ALA 9 4.904 -16.538 -6.769 61 HB3 ALA 9 HB3 ALA 9 4.003 -15.176 -6.584 62 H ARG 10 HN ARG 10 0.968 -15.576 -7.969 63 HA ARG 10 HA ARG 10 0.432 -17.929 -6.290 64 HB2 ARG 10 HB2 ARG 10 0.061 -15.689 -5.332 65 HB3 ARG 10 HB1 ARG 10 -1.085 -15.323 -6.607 66 HG2 ARG 10 HG2 ARG 10 -2.541 -17.136 -5.881 67 HG3 ARG 10 HG1 ARG 10 -1.359 -17.643 -4.676 68 HD2 ARG 10 HD2 ARG 10 -1.581 -15.381 -3.616 69 HD3 ARG 10 HD1 ARG 10 -2.878 -15.025 -4.757 70 HE ARG 10 HE ARG 10 -3.023 -16.834 -2.478 71 HH11 ARG 10 HH11 ARG 10 -5.095 -17.667 -2.050 72 HH12 ARG 10 HH12 ARG 10 -6.353 -17.493 -3.227 73 HH21 ARG 10 HH21 ARG 10 -4.352 -15.813 -5.507 74 HH22 ARG 10 HH22 ARG 10 -5.932 -16.444 -5.184 75 H MET 11 HN MET 11 -0.119 -16.678 -9.411 76 HA MET 11 HA MET 11 -2.412 -18.493 -9.795 77 HB2 MET 11 HB2 MET 11 -3.140 -16.887 -11.634 78 HB3 MET 11 HB1 MET 11 -3.285 -16.307 -9.977 79 HG2 MET 11 HG2 MET 11 -0.839 -15.393 -10.430 80 HG3 MET 11 HG1 MET 11 -1.326 -15.494 -12.100 81 HE1 MET 11 HE1 MET 11 -4.689 -14.907 -11.297 82 HE2 MET 11 HE2 MET 11 -3.685 -14.906 -12.743 83 HE3 MET 11 HE3 MET 11 -4.514 -13.431 -12.254 84 H THR 12 HN THR 12 -2.597 -19.438 -11.921 85 HA THR 12 HA THR 12 -0.044 -20.276 -12.989 86 HB THR 12 HB THR 12 -1.383 -21.602 -14.543 87 HG1 THR 12 HG1 THR 12 -3.661 -21.374 -14.440 88 HG21 THR 12 HG21 THR 12 -2.533 -22.961 -12.908 89 HG22 THR 12 HG22 THR 12 -2.654 -21.596 -11.796 90 HG23 THR 12 HG23 THR 12 -1.080 -22.308 -12.151 91 H HIS 13 HN HIS 13 0.492 -20.093 -15.301 92 HA HIS 13 HA HIS 13 0.422 -17.383 -16.210 93 HB2 HIS 13 HB2 HIS 13 2.243 -19.098 -16.694 94 HB3 HIS 13 HB1 HIS 13 1.135 -19.806 -17.867 95 HD1 HIS 13 HD1 HIS 13 2.411 -16.290 -17.069 96 HD2 HIS 13 HD2 HIS 13 1.501 -18.690 -20.353 97 HE1 HIS 13 HE1 HIS 13 2.967 -14.926 -19.129 98 H LYS 14 HN LYS 14 -1.323 -20.322 -17.305 99 HA LYS 14 HA LYS 14 -2.606 -19.084 -19.450 100 HB2 LYS 14 HB2 LYS 14 -2.543 -21.427 -19.213 101 HB3 LYS 14 HB1 LYS 14 -3.427 -21.352 -17.651 102 HG2 LYS 14 HG2 LYS 14 -5.419 -20.509 -18.824 103 HG3 LYS 14 HG1 LYS 14 -4.542 -20.489 -20.351 104 HD2 LYS 14 HD2 LYS 14 -4.287 -22.943 -20.230 105 HD3 LYS 14 HD1 LYS 14 -5.182 -22.954 -18.707 106 HE2 LYS 14 HE2 LYS 14 -7.139 -21.974 -19.841 107 HE3 LYS 14 HE1 LYS 14 -6.250 -21.950 -21.364 108 HZ1 LYS 14 HZ1 LYS 14 -6.350 -24.490 -19.954 109 HZ2 LYS 14 HZ2 LYS 14 -6.438 -24.164 -21.620 110 HZ3 LYS 14 HZ3 LYS 14 -7.808 -23.956 -20.637 111 H GLU 15 HN GLU 15 -3.567 -19.323 -16.056 112 HA GLU 15 HA GLU 15 -6.104 -18.113 -16.432 113 HB2 GLU 15 HB2 GLU 15 -5.463 -19.489 -14.469 114 HB3 GLU 15 HB1 GLU 15 -4.397 -18.187 -13.940 115 HG2 GLU 15 HG2 GLU 15 -6.297 -16.651 -13.806 116 HG3 GLU 15 HG1 GLU 15 -7.376 -17.914 -14.401 117 H PHE 16 HN PHE 16 -2.955 -16.884 -15.452 118 HA PHE 16 HA PHE 16 -3.703 -14.201 -14.972 119 HB2 PHE 16 HB2 PHE 16 -1.515 -15.181 -14.317 120 HB3 PHE 16 HB1 PHE 16 -1.047 -15.194 -16.011 121 HD1 PHE 16 HD1 PHE 16 0.033 -13.308 -16.906 122 HD2 PHE 16 HD2 PHE 16 -2.413 -12.862 -13.400 123 HE1 PHE 16 HE1 PHE 16 0.716 -10.931 -16.729 124 HE2 PHE 16 HE2 PHE 16 -1.727 -10.485 -13.226 125 HZ PHE 16 HZ PHE 16 -0.163 -9.520 -14.891 126 H ASN 17 HN ASN 17 -2.518 -15.759 -17.979 127 HA ASN 17 HA ASN 17 -2.564 -13.382 -19.545 128 HB2 ASN 17 HB2 ASN 17 -2.765 -16.318 -20.236 129 HB3 ASN 17 HB1 ASN 17 -2.688 -15.038 -21.447 130 HD21 ASN 17 HD21 ASN 17 -0.634 -17.060 -21.129 131 HD22 ASN 17 HD22 ASN 17 0.784 -16.266 -20.647 132 H TYR 18 HN TYR 18 -5.034 -15.869 -18.909 133 HA TYR 18 HA TYR 18 -6.913 -14.990 -20.776 134 HB2 TYR 18 HB2 TYR 18 -7.188 -17.111 -19.779 135 HB3 TYR 18 HB1 TYR 18 -7.224 -16.429 -18.147 136 HD1 TYR 18 HD1 TYR 18 -9.168 -15.098 -17.399 137 HD2 TYR 18 HD2 TYR 18 -9.137 -17.061 -21.214 138 HE1 TYR 18 HE1 TYR 18 -11.615 -14.779 -17.570 139 HE2 TYR 18 HE2 TYR 18 -11.594 -16.749 -21.389 140 HH TYR 18 HH TYR 18 -13.387 -15.749 -20.492 141 H LYS 19 HN LYS 19 -6.747 -14.303 -17.338 142 HA LYS 19 HA LYS 19 -8.917 -12.500 -17.252 143 HB2 LYS 19 HB2 LYS 19 -6.571 -12.758 -15.364 144 HB3 LYS 19 HB1 LYS 19 -8.049 -11.837 -15.076 145 HG2 LYS 19 HG2 LYS 19 -9.382 -13.926 -15.392 146 HG3 LYS 19 HG1 LYS 19 -7.869 -14.829 -15.512 147 HD2 LYS 19 HD2 LYS 19 -7.226 -14.094 -13.273 148 HD3 LYS 19 HD1 LYS 19 -8.707 -13.143 -13.152 149 HE2 LYS 19 HE2 LYS 19 -10.048 -15.198 -13.354 150 HE3 LYS 19 HE1 LYS 19 -8.573 -16.150 -13.483 151 HZ1 LYS 19 HZ1 LYS 19 -9.866 -15.482 -11.172 152 HZ2 LYS 19 HZ2 LYS 19 -8.536 -14.425 -11.210 153 HZ3 LYS 19 HZ3 LYS 19 -8.293 -16.105 -11.294 154 H SER 20 HN SER 20 -5.461 -12.057 -17.741 155 HA SER 20 HA SER 20 -5.455 -9.244 -17.569 156 HB2 SER 20 HB2 SER 20 -3.653 -11.093 -19.171 157 HB3 SER 20 HB1 SER 20 -3.329 -9.387 -18.873 158 HG SER 20 HG SER 20 -3.832 -11.207 -16.768 159 H ASN 21 HN ASN 21 -6.008 -11.340 -20.283 160 HA ASN 21 HA ASN 21 -6.319 -9.337 -22.285 161 HB2 ASN 21 HB2 ASN 21 -6.006 -11.738 -22.801 162 HB3 ASN 21 HB1 ASN 21 -7.594 -12.078 -22.101 163 HD21 ASN 21 HD21 ASN 21 -8.648 -12.685 -24.093 164 HD22 ASN 21 HD22 ASN 21 -8.900 -11.582 -25.358 165 H VAL 22 HN VAL 22 -8.531 -10.723 -19.929 166 HA VAL 22 HA VAL 22 -10.925 -9.611 -20.981 167 HB VAL 22 HB VAL 22 -10.200 -10.356 -18.154 168 HG11 VAL 22 HG11 VAL 22 -12.060 -8.865 -18.014 169 HG12 VAL 22 HG12 VAL 22 -12.743 -10.489 -17.969 170 HG13 VAL 22 HG13 VAL 22 -12.803 -9.550 -19.460 171 HG21 VAL 22 HG21 VAL 22 -11.932 -11.840 -20.132 172 HG22 VAL 22 HG22 VAL 22 -11.202 -12.448 -18.646 173 HG23 VAL 22 HG23 VAL 22 -10.194 -12.103 -20.046 174 H CYS 23 HN CYS 23 -8.680 -8.450 -18.470 175 HA CYS 23 HA CYS 23 -10.029 -5.980 -17.981 176 HB2 CYS 23 HB2 CYS 23 -7.227 -6.957 -17.464 177 HB3 CYS 23 HB1 CYS 23 -7.769 -5.300 -17.069 178 H ASN 24 HN ASN 24 -7.344 -6.842 -20.188 179 HA ASN 24 HA ASN 24 -6.840 -4.165 -21.003 180 HB2 ASN 24 HB2 ASN 24 -5.295 -6.034 -21.418 181 HB3 ASN 24 HB1 ASN 24 -6.479 -6.776 -22.490 182 HD21 ASN 24 HD21 ASN 24 -5.757 -6.463 -24.589 183 HD22 ASN 24 HD22 ASN 24 -5.159 -4.996 -25.201 184 H GLY 25 HN GLY 25 -9.363 -6.489 -21.913 185 HA2 GLY 25 HA2 GLY 25 -10.082 -4.793 -24.161 186 HA3 GLY 25 HA1 GLY 25 -10.932 -6.277 -23.730 187 H CYS 26 HN CYS 26 -10.374 -4.322 -21.010 188 HA CYS 26 HA CYS 26 -13.164 -3.710 -20.877 189 HB2 CYS 26 HB2 CYS 26 -11.795 -4.416 -18.861 190 HB3 CYS 26 HB1 CYS 26 -11.008 -2.835 -18.959 191 H GLY 27 HN GLY 27 -10.306 -1.722 -21.750 192 HA2 GLY 27 HA2 GLY 27 -10.954 0.023 -23.104 193 HA3 GLY 27 HA1 GLY 27 -12.171 0.554 -21.956 194 H ASP 28 HN ASP 28 -11.532 2.227 -20.662 195 HA ASP 28 HA ASP 28 -8.656 2.779 -20.380 196 HB2 ASP 28 HB2 ASP 28 -11.163 4.392 -19.839 197 HB3 ASP 28 HB1 ASP 28 -9.538 4.976 -19.457 198 H GLN 29 HN GLN 29 -10.606 0.819 -18.880 199 HA GLN 29 HA GLN 29 -9.967 1.665 -16.096 200 HB2 GLN 29 HB2 GLN 29 -11.741 -0.619 -16.921 201 HB3 GLN 29 HB1 GLN 29 -11.570 0.133 -15.335 202 HG2 GLN 29 HG2 GLN 29 -13.550 1.075 -16.198 203 HG3 GLN 29 HG1 GLN 29 -12.323 2.315 -16.461 204 HE21 GLN 29 HE21 GLN 29 -14.195 -0.235 -18.104 205 HE22 GLN 29 HE22 GLN 29 -13.950 0.369 -19.671 206 H VAL 30 HN VAL 30 -8.434 0.152 -18.448 207 HA VAL 30 HA VAL 30 -7.756 -2.356 -17.725 208 HB VAL 30 HB VAL 30 -6.748 -0.803 -19.581 209 HG11 VAL 30 HG11 VAL 30 -5.702 0.747 -17.899 210 HG12 VAL 30 HG12 VAL 30 -4.636 0.159 -19.169 211 HG13 VAL 30 HG13 VAL 30 -4.535 -0.538 -17.557 212 HG21 VAL 30 HG21 VAL 30 -4.724 -2.650 -18.285 213 HG22 VAL 30 HG22 VAL 30 -5.037 -2.405 -19.999 214 HG23 VAL 30 HG23 VAL 30 -6.177 -3.314 -19.015 215 H ALA 31 HN ALA 31 -6.288 0.569 -16.262 216 HA ALA 31 HA ALA 31 -4.653 -0.974 -14.582 217 HB1 ALA 31 HB1 ALA 31 -4.186 1.158 -13.409 218 HB2 ALA 31 HB2 ALA 31 -5.307 1.995 -14.480 219 HB3 ALA 31 HB3 ALA 31 -3.892 1.185 -15.144 220 H ALA 32 HN ALA 32 -7.818 0.538 -14.079 221 HA ALA 32 HA ALA 32 -7.986 -0.005 -11.332 222 HB1 ALA 32 HB1 ALA 32 -9.951 0.404 -13.586 223 HB2 ALA 32 HB2 ALA 32 -9.635 1.518 -12.278 224 HB3 ALA 32 HB3 ALA 32 -10.519 0.016 -11.965 225 H CYS 33 HN CYS 33 -8.800 -1.767 -14.207 226 HA CYS 33 HA CYS 33 -10.094 -3.949 -12.957 227 HB2 CYS 33 HB2 CYS 33 -10.323 -3.404 -15.384 228 HB3 CYS 33 HB1 CYS 33 -8.687 -3.993 -15.610 229 H GLU 34 HN GLU 34 -6.743 -3.264 -13.757 230 HA GLU 34 HA GLU 34 -5.803 -5.877 -13.111 231 HB2 GLU 34 HB2 GLU 34 -4.534 -3.256 -13.830 232 HB3 GLU 34 HB1 GLU 34 -3.535 -4.544 -13.204 233 HG2 GLU 34 HG2 GLU 34 -3.733 -5.814 -15.110 234 HG3 GLU 34 HG1 GLU 34 -5.411 -5.356 -15.387 235 H ALA 35 HN ALA 35 -6.560 -3.022 -11.270 236 HA ALA 35 HA ALA 35 -4.716 -2.771 -9.331 237 HB1 ALA 35 HB1 ALA 35 -6.537 -1.968 -7.943 238 HB2 ALA 35 HB2 ALA 35 -7.658 -2.975 -8.833 239 HB3 ALA 35 HB3 ALA 35 -6.960 -1.513 -9.567 240 H GLU 36 HN GLU 36 -7.511 -4.894 -9.024 241 HA GLU 36 HA GLU 36 -6.099 -6.180 -6.772 242 HB2 GLU 36 HB2 GLU 36 -9.018 -6.219 -7.517 243 HB3 GLU 36 HB1 GLU 36 -8.312 -7.112 -6.168 244 HG2 GLU 36 HG2 GLU 36 -7.523 -5.034 -5.159 245 HG3 GLU 36 HG1 GLU 36 -8.128 -4.110 -6.532 246 H CYS 37 HN CYS 37 -5.168 -6.917 -9.374 247 HA CYS 37 HA CYS 37 -4.856 -8.708 -10.712 248 HB2 CYS 37 HB2 CYS 37 -4.791 -9.627 -7.996 249 HB3 CYS 37 HB1 CYS 37 -5.650 -10.851 -8.914 250 H PHE 38 HN PHE 38 -7.247 -7.484 -11.079 251 HA PHE 38 HA PHE 38 -9.124 -7.805 -12.228 252 HB2 PHE 38 HB2 PHE 38 -8.785 -10.800 -12.413 253 HB3 PHE 38 HB1 PHE 38 -9.271 -9.608 -13.640 254 HD1 PHE 38 HD1 PHE 38 -6.794 -11.856 -13.076 255 HD2 PHE 38 HD2 PHE 38 -7.233 -7.651 -13.655 256 HE1 PHE 38 HE1 PHE 38 -4.481 -11.744 -13.933 257 HE2 PHE 38 HE2 PHE 38 -4.948 -7.544 -14.542 258 HZ PHE 38 HZ PHE 38 -3.554 -9.577 -14.679 259 H ARG 39 HN ARG 39 -8.695 -8.675 -9.214 260 HA ARG 39 HA ARG 39 -11.306 -9.939 -8.779 261 HB2 ARG 39 HB2 ARG 39 -9.140 -10.702 -7.557 262 HB3 ARG 39 HB1 ARG 39 -9.250 -9.178 -6.680 263 HG2 ARG 39 HG2 ARG 39 -11.481 -9.756 -5.894 264 HG3 ARG 39 HG1 ARG 39 -11.414 -11.280 -6.779 265 HD2 ARG 39 HD2 ARG 39 -9.364 -11.880 -5.456 266 HD3 ARG 39 HD1 ARG 39 -9.615 -10.423 -4.498 267 HE ARG 39 HE ARG 39 -12.005 -11.904 -4.496 268 HH11 ARG 39 HH11 ARG 39 -12.505 -13.183 -2.695 269 HH12 ARG 39 HH12 ARG 39 -11.246 -13.679 -1.614 270 HH21 ARG 39 HH21 ARG 39 -8.735 -12.068 -3.384 271 HH22 ARG 39 HH22 ARG 39 -9.109 -13.046 -2.003 272 H ASN 40 HN ASN 40 -12.314 -8.054 -9.650 273 HA ASN 40 HA ASN 40 -13.111 -6.264 -7.495 274 HB2 ASN 40 HB2 ASN 40 -12.507 -4.193 -8.787 275 HB3 ASN 40 HB1 ASN 40 -11.132 -5.149 -8.221 276 HD21 ASN 40 HD21 ASN 40 -9.732 -4.386 -9.890 277 HD22 ASN 40 HD22 ASN 40 -9.910 -4.901 -11.495 278 H ASP 41 HN ASP 41 -14.849 -4.692 -8.270 279 HA ASP 41 HA ASP 41 -16.715 -6.226 -9.664 280 HB2 ASP 41 HB2 ASP 41 -16.821 -3.239 -9.029 281 HB3 ASP 41 HB1 ASP 41 -18.224 -4.261 -9.355 282 H VAL 42 HN VAL 42 -14.477 -3.683 -10.690 283 HA VAL 42 HA VAL 42 -15.715 -3.153 -13.180 284 HB VAL 42 HB VAL 42 -12.860 -2.952 -12.161 285 HG11 VAL 42 HG11 VAL 42 -12.498 -1.562 -14.252 286 HG12 VAL 42 HG12 VAL 42 -13.950 -2.323 -14.892 287 HG13 VAL 42 HG13 VAL 42 -12.548 -3.303 -14.460 288 HG21 VAL 42 HG21 VAL 42 -13.360 -0.463 -12.523 289 HG22 VAL 42 HG22 VAL 42 -14.231 -1.251 -11.197 290 HG23 VAL 42 HG23 VAL 42 -15.049 -0.942 -12.729 291 H TYR 43 HN TYR 43 -13.296 -5.529 -12.209 292 HA TYR 43 HA TYR 43 -12.837 -6.666 -14.692 293 HB2 TYR 43 HB2 TYR 43 -11.482 -7.400 -12.825 294 HB3 TYR 43 HB1 TYR 43 -12.906 -7.867 -11.902 295 HD1 TYR 43 HD1 TYR 43 -13.624 -10.094 -11.939 296 HD2 TYR 43 HD2 TYR 43 -11.143 -8.627 -15.124 297 HE1 TYR 43 HE1 TYR 43 -13.516 -12.373 -12.901 298 HE2 TYR 43 HE2 TYR 43 -11.034 -10.912 -16.077 299 HH TYR 43 HH TYR 43 -11.306 -13.374 -14.990 300 H THR 44 HN THR 44 -15.285 -7.461 -12.247 301 HA THR 44 HA THR 44 -16.505 -9.480 -13.714 302 HB THR 44 HB THR 44 -17.727 -7.604 -11.678 303 HG1 THR 44 HG1 THR 44 -16.463 -8.849 -10.559 304 HG21 THR 44 HG21 THR 44 -19.584 -8.453 -12.936 305 HG22 THR 44 HG22 THR 44 -19.453 -9.502 -11.523 306 HG23 THR 44 HG23 THR 44 -18.842 -10.045 -13.086 307 H ALA 45 HN ALA 45 -17.342 -6.047 -13.653 308 HA ALA 45 HA ALA 45 -19.514 -5.902 -15.410 309 HB1 ALA 45 HB1 ALA 45 -18.771 -4.069 -13.923 310 HB2 ALA 45 HB2 ALA 45 -18.594 -3.423 -15.531 311 HB3 ALA 45 HB3 ALA 45 -17.201 -4.122 -14.703 312 H CYS 46 HN CYS 46 -15.973 -5.624 -15.955 313 HA CYS 46 HA CYS 46 -16.219 -5.239 -18.757 314 HB2 CYS 46 HB2 CYS 46 -13.738 -6.192 -17.251 315 HB3 CYS 46 HB1 CYS 46 -13.805 -5.435 -18.858 316 H HIS 47 HN HIS 47 -15.551 -8.077 -16.752 317 HA HIS 47 HA HIS 47 -15.163 -9.855 -18.889 318 HB2 HIS 47 HB2 HIS 47 -14.489 -10.224 -16.479 319 HB3 HIS 47 HB1 HIS 47 -16.183 -10.545 -16.124 320 HD1 HIS 47 HD1 HIS 47 -16.305 -13.038 -15.841 321 HD2 HIS 47 HD2 HIS 47 -14.085 -11.965 -19.201 322 HE1 HIS 47 HE1 HIS 47 -15.737 -15.194 -17.043 323 H GLU 48 HN GLU 48 -18.029 -9.027 -16.992 324 HA GLU 48 HA GLU 48 -19.765 -10.897 -18.246 325 HB2 GLU 48 HB2 GLU 48 -20.429 -8.338 -16.782 326 HB3 GLU 48 HB1 GLU 48 -21.553 -9.601 -17.214 327 HG2 GLU 48 HG2 GLU 48 -19.105 -10.323 -15.610 328 HG3 GLU 48 HG1 GLU 48 -20.529 -9.680 -14.802 329 H ALA 49 HN ALA 49 -18.652 -7.702 -19.046 330 HA ALA 49 HA ALA 49 -20.713 -7.135 -20.915 331 HB1 ALA 49 HB1 ALA 49 -19.088 -5.305 -21.644 332 HB2 ALA 49 HB2 ALA 49 -18.014 -5.898 -20.377 333 HB3 ALA 49 HB3 ALA 49 -19.608 -5.269 -19.959 334 H GLN 50 HN GLN 50 -17.740 -8.954 -21.016 335 HA GLN 50 HA GLN 50 -17.643 -8.832 -23.946 336 HB2 GLN 50 HB2 GLN 50 -15.798 -10.077 -21.865 337 HB3 GLN 50 HB1 GLN 50 -15.515 -10.185 -23.603 338 HG2 GLN 50 HG2 GLN 50 -15.804 -7.576 -22.096 339 HG3 GLN 50 HG1 GLN 50 -14.251 -8.328 -22.456 340 HE21 GLN 50 HE21 GLN 50 -16.028 -5.868 -23.542 341 HE22 GLN 50 HE22 GLN 50 -15.745 -5.976 -25.212 342 H LYS 51 HN LYS 51 -18.354 -10.370 -25.209 343 HA LYS 51 HA LYS 51 -19.514 -12.242 -25.870 344 HB2 LYS 51 HB2 LYS 51 -17.664 -13.396 -23.772 345 HB3 LYS 51 HB1 LYS 51 -18.639 -14.380 -24.863 346 HG2 LYS 51 HG2 LYS 51 -17.541 -13.335 -26.805 347 HG3 LYS 51 HG1 LYS 51 -16.578 -12.325 -25.726 348 HD2 LYS 51 HD2 LYS 51 -15.540 -14.324 -24.746 349 HD3 LYS 51 HD1 LYS 51 -16.534 -15.359 -25.772 350 HE2 LYS 51 HE2 LYS 51 -14.312 -15.108 -26.768 351 HE3 LYS 51 HE1 LYS 51 -15.509 -14.304 -27.782 352 HZ1 LYS 51 HZ1 LYS 51 -14.467 -12.581 -25.755 353 HZ2 LYS 51 HZ2 LYS 51 -14.560 -12.342 -27.435 354 HZ3 LYS 51 HZ3 LYS 51 -13.242 -13.178 -26.765 Start of MODEL 17 1 H1 SER 1 HT1 SER 1 9.822 -3.871 -8.199 2 HA SER 1 HA SER 1 8.878 -4.562 -10.824 3 HB2 SER 1 HB2 SER 1 10.126 -6.639 -10.163 4 HB3 SER 1 HB1 SER 1 9.112 -6.735 -8.726 5 HG SER 1 HG SER 1 7.325 -6.565 -10.376 6 H GLU 2 HN GLU 2 6.625 -4.597 -10.771 7 HA GLU 2 HA GLU 2 5.492 -3.345 -8.435 8 HB2 GLU 2 HB2 GLU 2 4.502 -3.957 -11.208 9 HB3 GLU 2 HB1 GLU 2 3.348 -3.502 -9.949 10 HG2 GLU 2 HG2 GLU 2 4.564 -1.434 -9.527 11 HG3 GLU 2 HG1 GLU 2 5.808 -1.893 -10.688 12 HA PRO 3 HA PRO 3 3.558 -6.766 -6.263 13 HB2 PRO 3 HB2 PRO 3 1.060 -5.222 -6.906 14 HB3 PRO 3 HB1 PRO 3 1.585 -6.183 -5.467 15 HG2 PRO 3 HG2 PRO 3 1.825 -3.538 -5.552 16 HG3 PRO 3 HG1 PRO 3 3.154 -4.521 -4.892 17 HD2 PRO 3 HD2 PRO 3 2.944 -3.181 -7.568 18 HD3 PRO 3 HD1 PRO 3 4.362 -3.418 -6.517 19 H ASP 4 HN ASP 4 3.392 -6.338 -9.588 20 HA ASP 4 HA ASP 4 1.414 -8.365 -10.055 21 HB2 ASP 4 HB2 ASP 4 1.296 -7.337 -12.201 22 HB3 ASP 4 HB1 ASP 4 2.202 -6.035 -11.446 23 H GLU 5 HN GLU 5 4.220 -8.590 -8.901 24 HA GLU 5 HA GLU 5 5.124 -10.912 -10.605 25 HB2 GLU 5 HB2 GLU 5 7.112 -10.810 -8.974 26 HB3 GLU 5 HB1 GLU 5 7.024 -9.597 -10.247 27 HG2 GLU 5 HG2 GLU 5 6.516 -7.892 -8.769 28 HG3 GLU 5 HG1 GLU 5 5.687 -8.951 -7.642 29 H ILE 6 HN ILE 6 4.234 -9.920 -7.289 30 HA ILE 6 HA ILE 6 4.390 -12.587 -6.247 31 HB ILE 6 HB ILE 6 2.811 -10.246 -5.156 32 HG12 ILE 6 HG12 ILE 6 5.101 -9.522 -5.490 33 HG13 ILE 6 HG11 ILE 6 4.883 -9.844 -3.777 34 HG21 ILE 6 HG21 ILE 6 3.112 -11.388 -3.009 35 HG22 ILE 6 HG22 ILE 6 4.056 -12.654 -3.794 36 HG23 ILE 6 HG23 ILE 6 2.335 -12.483 -4.157 37 HD11 ILE 6 HD11 ILE 6 6.915 -10.927 -4.232 38 HD12 ILE 6 HD12 ILE 6 6.388 -11.456 -5.825 39 HD13 ILE 6 HD13 ILE 6 5.762 -12.251 -4.382 40 H CYS 7 HN CYS 7 1.870 -10.586 -7.579 41 HA CYS 7 HA CYS 7 -0.313 -12.293 -6.984 42 HB2 CYS 7 HB2 CYS 7 -0.058 -9.848 -8.255 43 HB3 CYS 7 HB1 CYS 7 -0.508 -10.897 -9.595 44 H ARG 8 HN ARG 8 1.823 -12.221 -9.715 45 HA ARG 8 HA ARG 8 0.577 -14.267 -11.224 46 HB2 ARG 8 HB2 ARG 8 2.190 -12.711 -12.208 47 HB3 ARG 8 HB1 ARG 8 3.477 -13.478 -11.278 48 HG2 ARG 8 HG2 ARG 8 3.007 -15.634 -12.384 49 HG3 ARG 8 HG1 ARG 8 1.700 -14.882 -13.301 50 HD2 ARG 8 HD2 ARG 8 3.358 -13.296 -14.276 51 HD3 ARG 8 HD1 ARG 8 4.641 -14.158 -13.432 52 HE ARG 8 HE ARG 8 3.173 -15.077 -15.779 53 HH11 ARG 8 HH11 ARG 8 3.988 -16.982 -16.714 54 HH12 ARG 8 HH12 ARG 8 5.148 -17.937 -15.852 55 HH21 ARG 8 HH21 ARG 8 5.222 -15.835 -13.096 56 HH22 ARG 8 HH22 ARG 8 5.847 -17.288 -13.803 57 H ALA 9 HN ALA 9 3.162 -14.341 -8.820 58 HA ALA 9 HA ALA 9 3.872 -17.000 -9.130 59 HB1 ALA 9 HB1 ALA 9 3.971 -15.202 -6.692 60 HB2 ALA 9 HB2 ALA 9 5.314 -15.524 -7.824 61 HB3 ALA 9 HB3 ALA 9 4.732 -16.673 -6.675 62 H ARG 10 HN ARG 10 0.967 -15.724 -7.922 63 HA ARG 10 HA ARG 10 0.425 -18.071 -6.255 64 HB2 ARG 10 HB2 ARG 10 0.050 -15.805 -5.311 65 HB3 ARG 10 HB1 ARG 10 -1.128 -15.480 -6.572 66 HG2 ARG 10 HG2 ARG 10 -2.552 -17.277 -5.798 67 HG3 ARG 10 HG1 ARG 10 -1.327 -17.810 -4.648 68 HD2 ARG 10 HD2 ARG 10 -1.505 -15.557 -3.540 69 HD3 ARG 10 HD1 ARG 10 -2.855 -15.195 -4.615 70 HE ARG 10 HE ARG 10 -3.380 -17.653 -3.337 71 HH11 ARG 10 HH11 ARG 10 -4.804 -17.691 -1.566 72 HH12 ARG 10 HH12 ARG 10 -5.121 -16.233 -0.685 73 HH21 ARG 10 HH21 ARG 10 -3.035 -14.280 -2.651 74 HH22 ARG 10 HH22 ARG 10 -4.120 -14.302 -1.300 75 H MET 11 HN MET 11 -0.142 -16.844 -9.351 76 HA MET 11 HA MET 11 -2.430 -18.678 -9.710 77 HB2 MET 11 HB2 MET 11 -3.173 -17.112 -11.543 78 HB3 MET 11 HB1 MET 11 -3.330 -16.525 -9.888 79 HG2 MET 11 HG2 MET 11 -0.984 -15.511 -10.267 80 HG3 MET 11 HG1 MET 11 -1.305 -15.735 -11.969 81 HE1 MET 11 HE1 MET 11 -4.745 -13.905 -12.294 82 HE2 MET 11 HE2 MET 11 -4.727 -15.377 -11.343 83 HE3 MET 11 HE3 MET 11 -3.758 -15.271 -12.812 84 H THR 12 HN THR 12 -2.641 -19.568 -11.870 85 HA THR 12 HA THR 12 -0.103 -20.431 -12.965 86 HB THR 12 HB THR 12 -1.477 -21.654 -14.592 87 HG1 THR 12 HG1 THR 12 -3.166 -19.741 -14.180 88 HG21 THR 12 HG21 THR 12 -2.559 -21.767 -11.766 89 HG22 THR 12 HG22 THR 12 -1.110 -22.590 -12.342 90 HG23 THR 12 HG23 THR 12 -2.693 -23.049 -12.970 91 H HIS 13 HN HIS 13 0.473 -20.165 -15.247 92 HA HIS 13 HA HIS 13 0.428 -17.425 -16.097 93 HB2 HIS 13 HB2 HIS 13 2.305 -18.965 -16.625 94 HB3 HIS 13 HB1 HIS 13 1.213 -19.922 -17.626 95 HD1 HIS 13 HD1 HIS 13 0.956 -19.204 -20.007 96 HD2 HIS 13 HD2 HIS 13 2.550 -16.167 -17.637 97 HE1 HIS 13 HE1 HIS 13 1.561 -17.314 -21.579 98 H LYS 14 HN LYS 14 -1.307 -20.325 -17.245 99 HA LYS 14 HA LYS 14 -2.564 -19.078 -19.395 100 HB2 LYS 14 HB2 LYS 14 -4.189 -20.937 -19.232 101 HB3 LYS 14 HB1 LYS 14 -2.564 -21.560 -18.939 102 HG2 LYS 14 HG2 LYS 14 -2.997 -21.245 -16.460 103 HG3 LYS 14 HG1 LYS 14 -4.677 -20.903 -16.873 104 HD2 LYS 14 HD2 LYS 14 -4.877 -23.091 -17.966 105 HD3 LYS 14 HD1 LYS 14 -3.200 -23.448 -17.557 106 HE2 LYS 14 HE2 LYS 14 -3.732 -23.245 -15.158 107 HE3 LYS 14 HE1 LYS 14 -5.410 -22.884 -15.560 108 HZ1 LYS 14 HZ1 LYS 14 -4.889 -25.166 -16.940 109 HZ2 LYS 14 HZ2 LYS 14 -5.724 -25.069 -15.463 110 HZ3 LYS 14 HZ3 LYS 14 -4.059 -25.407 -15.480 111 H GLU 15 HN GLU 15 -3.523 -19.278 -16.003 112 HA GLU 15 HA GLU 15 -6.044 -18.019 -16.364 113 HB2 GLU 15 HB2 GLU 15 -5.432 -19.402 -14.385 114 HB3 GLU 15 HB1 GLU 15 -4.346 -18.115 -13.863 115 HG2 GLU 15 HG2 GLU 15 -6.238 -16.542 -13.758 116 HG3 GLU 15 HG1 GLU 15 -7.330 -17.814 -14.304 117 H PHE 16 HN PHE 16 -2.866 -16.836 -15.369 118 HA PHE 16 HA PHE 16 -3.572 -14.140 -14.864 119 HB2 PHE 16 HB2 PHE 16 -1.394 -15.084 -14.194 120 HB3 PHE 16 HB1 PHE 16 -0.955 -15.264 -15.899 121 HD1 PHE 16 HD1 PHE 16 -1.784 -12.790 -13.249 122 HD2 PHE 16 HD2 PHE 16 -0.190 -13.406 -17.192 123 HE1 PHE 16 HE1 PHE 16 -0.984 -10.442 -13.297 124 HE2 PHE 16 HE2 PHE 16 0.607 -11.058 -17.238 125 HZ PHE 16 HZ PHE 16 0.211 -9.577 -15.288 126 H ASN 17 HN ASN 17 -2.432 -15.691 -17.877 127 HA ASN 17 HA ASN 17 -2.493 -13.316 -19.434 128 HB2 ASN 17 HB2 ASN 17 -1.262 -15.101 -20.354 129 HB3 ASN 17 HB1 ASN 17 -2.537 -16.268 -20.076 130 HD21 ASN 17 HD21 ASN 17 -2.765 -16.880 -22.307 131 HD22 ASN 17 HD22 ASN 17 -3.364 -15.814 -23.485 132 H TYR 18 HN TYR 18 -4.947 -15.786 -18.805 133 HA TYR 18 HA TYR 18 -6.819 -14.888 -20.647 134 HB2 TYR 18 HB2 TYR 18 -7.114 -17.020 -19.657 135 HB3 TYR 18 HB1 TYR 18 -7.138 -16.337 -18.018 136 HD1 TYR 18 HD1 TYR 18 -9.077 -14.998 -17.261 137 HD2 TYR 18 HD2 TYR 18 -9.056 -16.944 -21.091 138 HE1 TYR 18 HE1 TYR 18 -11.527 -14.675 -17.433 139 HE2 TYR 18 HE2 TYR 18 -11.510 -16.626 -21.264 140 HH TYR 18 HH TYR 18 -13.273 -15.422 -20.387 141 H LYS 19 HN LYS 19 -6.633 -14.236 -17.183 142 HA LYS 19 HA LYS 19 -8.782 -12.397 -17.074 143 HB2 LYS 19 HB2 LYS 19 -6.430 -12.726 -15.224 144 HB3 LYS 19 HB1 LYS 19 -7.859 -11.743 -14.906 145 HG2 LYS 19 HG2 LYS 19 -9.278 -13.794 -15.211 146 HG3 LYS 19 HG1 LYS 19 -7.794 -14.739 -15.348 147 HD2 LYS 19 HD2 LYS 19 -7.107 -14.036 -13.116 148 HD3 LYS 19 HD1 LYS 19 -8.554 -13.041 -12.979 149 HE2 LYS 19 HE2 LYS 19 -9.966 -15.028 -13.159 150 HE3 LYS 19 HE1 LYS 19 -8.533 -16.041 -13.330 151 HZ1 LYS 19 HZ1 LYS 19 -8.716 -14.261 -11.008 152 HZ2 LYS 19 HZ2 LYS 19 -7.971 -15.782 -11.150 153 HZ3 LYS 19 HZ3 LYS 19 -9.660 -15.670 -11.011 154 H SER 20 HN SER 20 -5.337 -11.970 -17.590 155 HA SER 20 HA SER 20 -5.310 -9.154 -17.427 156 HB2 SER 20 HB2 SER 20 -3.180 -10.288 -17.410 157 HB3 SER 20 HB1 SER 20 -3.568 -11.135 -18.905 158 HG SER 20 HG SER 20 -2.387 -9.490 -19.620 159 H ASN 21 HN ASN 21 -5.921 -11.256 -20.130 160 HA ASN 21 HA ASN 21 -6.233 -9.196 -22.112 161 HB2 ASN 21 HB2 ASN 21 -7.131 -12.064 -21.880 162 HB3 ASN 21 HB1 ASN 21 -7.724 -11.025 -23.178 163 HD21 ASN 21 HD21 ASN 21 -5.649 -13.384 -22.978 164 HD22 ASN 21 HD22 ASN 21 -4.340 -12.790 -23.879 165 H VAL 22 HN VAL 22 -8.415 -10.588 -19.750 166 HA VAL 22 HA VAL 22 -10.817 -9.463 -20.785 167 HB VAL 22 HB VAL 22 -10.079 -10.226 -17.967 168 HG11 VAL 22 HG11 VAL 22 -12.674 -9.380 -19.251 169 HG12 VAL 22 HG12 VAL 22 -11.931 -8.755 -17.776 170 HG13 VAL 22 HG13 VAL 22 -12.635 -10.373 -17.793 171 HG21 VAL 22 HG21 VAL 22 -11.782 -11.680 -19.996 172 HG22 VAL 22 HG22 VAL 22 -11.156 -12.302 -18.469 173 HG23 VAL 22 HG23 VAL 22 -10.061 -11.986 -19.809 174 H CYS 23 HN CYS 23 -8.546 -8.327 -18.273 175 HA CYS 23 HA CYS 23 -9.903 -5.844 -17.774 176 HB2 CYS 23 HB2 CYS 23 -7.158 -6.938 -17.182 177 HB3 CYS 23 HB1 CYS 23 -7.591 -5.244 -16.831 178 H ASN 24 HN ASN 24 -7.199 -6.702 -19.920 179 HA ASN 24 HA ASN 24 -6.661 -4.043 -20.732 180 HB2 ASN 24 HB2 ASN 24 -5.104 -5.925 -21.129 181 HB3 ASN 24 HB1 ASN 24 -6.292 -6.661 -22.204 182 HD21 ASN 24 HD21 ASN 24 -4.856 -6.478 -24.068 183 HD22 ASN 24 HD22 ASN 24 -4.546 -4.971 -24.785 184 H GLY 25 HN GLY 25 -9.152 -6.281 -21.657 185 HA2 GLY 25 HA2 GLY 25 -9.856 -4.633 -23.951 186 HA3 GLY 25 HA1 GLY 25 -10.720 -6.088 -23.455 187 H CYS 26 HN CYS 26 -10.120 -4.050 -20.827 188 HA CYS 26 HA CYS 26 -12.893 -3.236 -20.810 189 HB2 CYS 26 HB2 CYS 26 -11.691 -4.360 -18.840 190 HB3 CYS 26 HB1 CYS 26 -10.938 -2.773 -18.579 191 H GLY 27 HN GLY 27 -11.661 -1.833 -22.679 192 HA2 GLY 27 HA2 GLY 27 -11.225 0.203 -23.416 193 HA3 GLY 27 HA1 GLY 27 -12.430 0.735 -22.287 194 H ASP 28 HN ASP 28 -11.759 2.329 -20.972 195 HA ASP 28 HA ASP 28 -8.883 2.752 -20.586 196 HB2 ASP 28 HB2 ASP 28 -11.280 4.490 -20.052 197 HB3 ASP 28 HB1 ASP 28 -9.620 4.960 -19.673 198 H GLN 29 HN GLN 29 -10.833 0.836 -19.092 199 HA GLN 29 HA GLN 29 -10.193 1.686 -16.291 200 HB2 GLN 29 HB2 GLN 29 -11.950 -0.580 -17.218 201 HB3 GLN 29 HB1 GLN 29 -11.812 0.070 -15.591 202 HG2 GLN 29 HG2 GLN 29 -12.930 1.494 -18.012 203 HG3 GLN 29 HG1 GLN 29 -13.832 0.942 -16.588 204 HE21 GLN 29 HE21 GLN 29 -13.820 2.297 -14.739 205 HE22 GLN 29 HE22 GLN 29 -12.981 3.770 -14.659 206 H VAL 30 HN VAL 30 -8.562 0.246 -18.611 207 HA VAL 30 HA VAL 30 -7.893 -2.245 -17.909 208 HB VAL 30 HB VAL 30 -5.728 -0.199 -18.467 209 HG11 VAL 30 HG11 VAL 30 -4.563 -2.166 -18.424 210 HG12 VAL 30 HG12 VAL 30 -5.183 -2.339 -20.061 211 HG13 VAL 30 HG13 VAL 30 -5.983 -3.159 -18.727 212 HG21 VAL 30 HG21 VAL 30 -7.818 -1.330 -20.340 213 HG22 VAL 30 HG22 VAL 30 -6.303 -0.633 -20.911 214 HG23 VAL 30 HG23 VAL 30 -7.458 0.370 -20.032 215 H ALA 31 HN ALA 31 -6.348 0.649 -16.461 216 HA ALA 31 HA ALA 31 -4.750 -0.836 -14.731 217 HB1 ALA 31 HB1 ALA 31 -5.458 2.133 -14.626 218 HB2 ALA 31 HB2 ALA 31 -4.060 1.327 -15.358 219 HB3 ALA 31 HB3 ALA 31 -4.280 1.248 -13.628 220 H ALA 32 HN ALA 32 -7.895 0.661 -14.244 221 HA ALA 32 HA ALA 32 -8.040 0.143 -11.496 222 HB1 ALA 32 HB1 ALA 32 -10.592 0.187 -12.124 223 HB2 ALA 32 HB2 ALA 32 -10.024 0.630 -13.730 224 HB3 ALA 32 HB3 ALA 32 -9.707 1.701 -12.374 225 H CYS 33 HN CYS 33 -8.950 -1.634 -14.366 226 HA CYS 33 HA CYS 33 -10.235 -3.799 -13.052 227 HB2 CYS 33 HB2 CYS 33 -10.521 -3.308 -15.456 228 HB3 CYS 33 HB1 CYS 33 -8.900 -3.882 -15.726 229 H GLU 34 HN GLU 34 -6.879 -3.154 -13.923 230 HA GLU 34 HA GLU 34 -6.002 -5.774 -13.265 231 HB2 GLU 34 HB2 GLU 34 -4.648 -3.220 -14.094 232 HB3 GLU 34 HB1 GLU 34 -3.681 -4.540 -13.497 233 HG2 GLU 34 HG2 GLU 34 -4.897 -5.980 -15.253 234 HG3 GLU 34 HG1 GLU 34 -5.534 -4.496 -15.896 235 H ALA 35 HN ALA 35 -6.604 -2.894 -11.477 236 HA ALA 35 HA ALA 35 -4.708 -2.714 -9.613 237 HB1 ALA 35 HB1 ALA 35 -6.909 -1.318 -9.670 238 HB2 ALA 35 HB2 ALA 35 -6.506 -1.950 -8.098 239 HB3 ALA 35 HB3 ALA 35 -7.668 -2.808 -9.076 240 H GLU 36 HN GLU 36 -7.521 -4.751 -9.100 241 HA GLU 36 HA GLU 36 -6.022 -6.081 -6.944 242 HB2 GLU 36 HB2 GLU 36 -8.939 -6.111 -7.663 243 HB3 GLU 36 HB1 GLU 36 -8.241 -7.055 -6.344 244 HG2 GLU 36 HG2 GLU 36 -7.432 -4.996 -5.276 245 HG3 GLU 36 HG1 GLU 36 -8.056 -4.036 -6.618 246 H CYS 37 HN CYS 37 -5.020 -6.830 -9.448 247 HA CYS 37 HA CYS 37 -4.678 -8.594 -10.785 248 HB2 CYS 37 HB2 CYS 37 -4.669 -9.507 -8.068 249 HB3 CYS 37 HB1 CYS 37 -5.546 -10.727 -8.964 250 H PHE 38 HN PHE 38 -7.040 -7.419 -11.231 251 HA PHE 38 HA PHE 38 -8.923 -7.778 -12.404 252 HB2 PHE 38 HB2 PHE 38 -8.648 -10.752 -12.663 253 HB3 PHE 38 HB1 PHE 38 -8.928 -9.497 -13.887 254 HD1 PHE 38 HD1 PHE 38 -6.810 -7.793 -14.063 255 HD2 PHE 38 HD2 PHE 38 -6.611 -11.835 -12.712 256 HE1 PHE 38 HE1 PHE 38 -4.401 -7.894 -14.612 257 HE2 PHE 38 HE2 PHE 38 -4.221 -11.910 -13.281 258 HZ PHE 38 HZ PHE 38 -3.122 -9.923 -14.232 259 H ARG 39 HN ARG 39 -8.512 -8.595 -9.404 260 HA ARG 39 HA ARG 39 -11.099 -9.961 -9.009 261 HB2 ARG 39 HB2 ARG 39 -8.905 -10.718 -7.795 262 HB3 ARG 39 HB1 ARG 39 -9.084 -9.227 -6.867 263 HG2 ARG 39 HG2 ARG 39 -11.320 -9.890 -6.159 264 HG3 ARG 39 HG1 ARG 39 -11.186 -11.380 -7.095 265 HD2 ARG 39 HD2 ARG 39 -9.273 -10.602 -4.884 266 HD3 ARG 39 HD1 ARG 39 -10.662 -11.659 -4.649 267 HE ARG 39 HE ARG 39 -9.133 -12.658 -6.794 268 HH11 ARG 39 HH11 ARG 39 -7.737 -14.412 -6.423 269 HH12 ARG 39 HH12 ARG 39 -7.208 -14.763 -4.811 270 HH21 ARG 39 HH21 ARG 39 -8.969 -12.144 -3.377 271 HH22 ARG 39 HH22 ARG 39 -7.905 -13.479 -3.087 272 H ASN 40 HN ASN 40 -12.164 -8.076 -9.785 273 HA ASN 40 HA ASN 40 -12.945 -6.339 -7.556 274 HB2 ASN 40 HB2 ASN 40 -12.436 -4.190 -8.844 275 HB3 ASN 40 HB1 ASN 40 -11.044 -5.153 -8.312 276 HD21 ASN 40 HD21 ASN 40 -9.719 -4.248 -10.040 277 HD22 ASN 40 HD22 ASN 40 -9.932 -4.778 -11.635 278 H ASP 41 HN ASP 41 -14.711 -4.732 -8.260 279 HA ASP 41 HA ASP 41 -16.626 -6.245 -9.607 280 HB2 ASP 41 HB2 ASP 41 -16.581 -3.293 -8.784 281 HB3 ASP 41 HB1 ASP 41 -18.035 -4.102 -9.331 282 H VAL 42 HN VAL 42 -14.412 -3.766 -10.674 283 HA VAL 42 HA VAL 42 -15.692 -3.212 -13.164 284 HB VAL 42 HB VAL 42 -12.832 -3.013 -12.156 285 HG11 VAL 42 HG11 VAL 42 -13.953 -2.352 -14.881 286 HG12 VAL 42 HG12 VAL 42 -12.601 -3.412 -14.494 287 HG13 VAL 42 HG13 VAL 42 -12.445 -1.678 -14.275 288 HG21 VAL 42 HG21 VAL 42 -13.333 -0.532 -12.529 289 HG22 VAL 42 HG22 VAL 42 -14.240 -1.316 -11.216 290 HG23 VAL 42 HG23 VAL 42 -15.018 -1.012 -12.771 291 H TYR 43 HN TYR 43 -13.282 -5.611 -12.171 292 HA TYR 43 HA TYR 43 -12.801 -6.753 -14.662 293 HB2 TYR 43 HB2 TYR 43 -11.443 -7.459 -12.795 294 HB3 TYR 43 HB1 TYR 43 -12.862 -7.943 -11.871 295 HD1 TYR 43 HD1 TYR 43 -13.809 -10.103 -12.105 296 HD2 TYR 43 HD2 TYR 43 -10.865 -8.727 -14.909 297 HE1 TYR 43 HE1 TYR 43 -13.676 -12.379 -13.075 298 HE2 TYR 43 HE2 TYR 43 -10.722 -11.009 -15.871 299 HH TYR 43 HH TYR 43 -11.182 -13.322 -15.195 300 H THR 44 HN THR 44 -15.246 -7.595 -12.214 301 HA THR 44 HA THR 44 -16.515 -9.603 -13.663 302 HB THR 44 HB THR 44 -17.650 -7.711 -11.612 303 HG1 THR 44 HG1 THR 44 -16.034 -9.793 -11.536 304 HG21 THR 44 HG21 THR 44 -19.412 -9.551 -11.428 305 HG22 THR 44 HG22 THR 44 -18.829 -10.137 -12.986 306 HG23 THR 44 HG23 THR 44 -19.533 -8.523 -12.856 307 H ALA 45 HN ALA 45 -17.265 -6.145 -13.525 308 HA ALA 45 HA ALA 45 -19.462 -6.028 -15.261 309 HB1 ALA 45 HB1 ALA 45 -18.587 -4.138 -13.790 310 HB2 ALA 45 HB2 ALA 45 -18.773 -3.494 -15.366 311 HB3 ALA 45 HB3 ALA 45 -17.211 -4.066 -14.828 312 H CYS 46 HN CYS 46 -15.922 -5.752 -15.858 313 HA CYS 46 HA CYS 46 -16.225 -5.367 -18.667 314 HB2 CYS 46 HB2 CYS 46 -13.761 -6.383 -17.183 315 HB3 CYS 46 HB1 CYS 46 -13.803 -5.628 -18.801 316 H HIS 47 HN HIS 47 -15.596 -8.215 -16.667 317 HA HIS 47 HA HIS 47 -15.218 -9.984 -18.801 318 HB2 HIS 47 HB2 HIS 47 -14.551 -10.430 -16.412 319 HB3 HIS 47 HB1 HIS 47 -16.260 -10.632 -16.024 320 HD1 HIS 47 HD1 HIS 47 -17.495 -12.696 -17.101 321 HD2 HIS 47 HD2 HIS 47 -13.373 -12.625 -17.724 322 HE1 HIS 47 HE1 HIS 47 -16.854 -15.006 -17.919 323 H GLU 48 HN GLU 48 -18.078 -9.136 -16.931 324 HA GLU 48 HA GLU 48 -19.830 -10.970 -18.221 325 HB2 GLU 48 HB2 GLU 48 -20.479 -8.408 -16.745 326 HB3 GLU 48 HB1 GLU 48 -21.611 -9.641 -17.214 327 HG2 GLU 48 HG2 GLU 48 -20.548 -11.329 -15.855 328 HG3 GLU 48 HG1 GLU 48 -19.247 -10.245 -15.430 329 H ALA 49 HN ALA 49 -18.687 -7.775 -18.979 330 HA ALA 49 HA ALA 49 -20.710 -7.165 -20.860 331 HB1 ALA 49 HB1 ALA 49 -17.956 -5.965 -20.476 332 HB2 ALA 49 HB2 ALA 49 -19.465 -5.394 -19.763 333 HB3 ALA 49 HB3 ALA 49 -19.217 -5.287 -21.507 334 H GLN 50 HN GLN 50 -17.746 -8.993 -20.944 335 HA GLN 50 HA GLN 50 -17.624 -8.877 -23.871 336 HB2 GLN 50 HB2 GLN 50 -15.815 -10.090 -21.744 337 HB3 GLN 50 HB1 GLN 50 -15.525 -10.291 -23.477 338 HG2 GLN 50 HG2 GLN 50 -15.404 -7.836 -23.717 339 HG3 GLN 50 HG1 GLN 50 -15.665 -7.662 -21.985 340 HE21 GLN 50 HE21 GLN 50 -13.363 -6.537 -22.566 341 HE22 GLN 50 HE22 GLN 50 -12.024 -7.543 -22.296 342 H LYS 51 HN LYS 51 -18.171 -10.468 -25.190 343 HA LYS 51 HA LYS 51 -19.345 -12.333 -25.873 344 HB2 LYS 51 HB2 LYS 51 -17.624 -13.494 -23.666 345 HB3 LYS 51 HB1 LYS 51 -18.535 -14.463 -24.825 346 HG2 LYS 51 HG2 LYS 51 -17.310 -13.395 -26.686 347 HG3 LYS 51 HG1 LYS 51 -16.394 -12.432 -25.526 348 HD2 LYS 51 HD2 LYS 51 -15.497 -14.497 -24.514 349 HD3 LYS 51 HD1 LYS 51 -16.405 -15.461 -25.678 350 HE2 LYS 51 HE2 LYS 51 -15.173 -14.425 -27.531 351 HE3 LYS 51 HE1 LYS 51 -14.286 -13.412 -26.392 352 HZ1 LYS 51 HZ1 LYS 51 -13.803 -15.780 -25.345 353 HZ2 LYS 51 HZ2 LYS 51 -12.823 -15.107 -26.559 354 HZ3 LYS 51 HZ3 LYS 51 -14.007 -16.258 -26.960 Start of MODEL 18 1 H1 SER 1 HT1 SER 1 2.550 -0.867 -14.237 2 HA SER 1 HA SER 1 3.735 -2.836 -13.582 3 HB2 SER 1 HB2 SER 1 4.937 -0.731 -14.446 4 HB3 SER 1 HB1 SER 1 5.408 -0.449 -12.772 5 HG SER 1 HG SER 1 6.957 -1.798 -13.202 6 H GLU 2 HN GLU 2 2.030 -1.961 -11.274 7 HA GLU 2 HA GLU 2 3.570 -1.815 -8.937 8 HB2 GLU 2 HB2 GLU 2 0.733 -2.641 -9.507 9 HB3 GLU 2 HB1 GLU 2 1.388 -2.787 -7.877 10 HG2 GLU 2 HG2 GLU 2 1.569 -0.224 -9.465 11 HG3 GLU 2 HG1 GLU 2 0.198 -0.589 -8.417 12 HA PRO 3 HA PRO 3 5.229 -5.902 -8.128 13 HB2 PRO 3 HB2 PRO 3 3.630 -5.839 -5.620 14 HB3 PRO 3 HB1 PRO 3 5.372 -6.111 -5.826 15 HG2 PRO 3 HG2 PRO 3 4.288 -3.788 -4.893 16 HG3 PRO 3 HG1 PRO 3 5.857 -3.895 -5.703 17 HD2 PRO 3 HD2 PRO 3 3.381 -2.664 -6.675 18 HD3 PRO 3 HD1 PRO 3 5.021 -2.555 -7.347 19 H ASP 4 HN ASP 4 4.017 -6.484 -9.763 20 HA ASP 4 HA ASP 4 1.585 -8.089 -9.330 21 HB2 ASP 4 HB2 ASP 4 2.619 -8.690 -11.954 22 HB3 ASP 4 HB1 ASP 4 1.198 -7.738 -11.531 23 H GLU 5 HN GLU 5 5.111 -8.638 -9.411 24 HA GLU 5 HA GLU 5 5.222 -11.248 -10.236 25 HB2 GLU 5 HB2 GLU 5 6.894 -9.407 -8.976 26 HB3 GLU 5 HB1 GLU 5 6.856 -10.772 -7.862 27 HG2 GLU 5 HG2 GLU 5 7.455 -12.303 -9.694 28 HG3 GLU 5 HG1 GLU 5 7.478 -10.951 -10.825 29 H ILE 6 HN ILE 6 4.291 -10.113 -7.045 30 HA ILE 6 HA ILE 6 4.135 -12.644 -5.810 31 HB ILE 6 HB ILE 6 2.508 -10.174 -5.158 32 HG12 ILE 6 HG12 ILE 6 4.864 -9.561 -5.282 33 HG13 ILE 6 HG11 ILE 6 4.391 -9.657 -3.589 34 HG21 ILE 6 HG21 ILE 6 2.737 -11.162 -2.824 35 HG22 ILE 6 HG22 ILE 6 3.351 -12.625 -3.595 36 HG23 ILE 6 HG23 ILE 6 1.708 -12.076 -3.930 37 HD11 ILE 6 HD11 ILE 6 6.119 -11.533 -5.182 38 HD12 ILE 6 HD12 ILE 6 5.247 -12.146 -3.779 39 HD13 ILE 6 HD13 ILE 6 6.410 -10.838 -3.590 40 H CYS 7 HN CYS 7 1.759 -10.662 -7.497 41 HA CYS 7 HA CYS 7 -0.431 -12.373 -7.018 42 HB2 CYS 7 HB2 CYS 7 -0.120 -9.902 -8.267 43 HB3 CYS 7 HB1 CYS 7 -0.579 -10.954 -9.601 44 H ARG 8 HN ARG 8 1.847 -12.217 -9.665 45 HA ARG 8 HA ARG 8 0.679 -14.230 -11.265 46 HB2 ARG 8 HB2 ARG 8 3.489 -13.172 -11.135 47 HB3 ARG 8 HB1 ARG 8 2.958 -14.376 -12.310 48 HG2 ARG 8 HG2 ARG 8 1.204 -12.840 -13.114 49 HG3 ARG 8 HG1 ARG 8 1.724 -11.628 -11.942 50 HD2 ARG 8 HD2 ARG 8 3.969 -11.605 -12.991 51 HD3 ARG 8 HD1 ARG 8 3.411 -12.778 -14.181 52 HE ARG 8 HE ARG 8 1.669 -10.563 -14.222 53 HH11 ARG 8 HH11 ARG 8 1.907 -9.012 -15.865 54 HH12 ARG 8 HH12 ARG 8 3.410 -8.885 -16.717 55 HH21 ARG 8 HH21 ARG 8 4.937 -11.441 -14.940 56 HH22 ARG 8 HH22 ARG 8 5.125 -10.260 -16.193 57 H ALA 9 HN ALA 9 3.166 -14.340 -8.763 58 HA ALA 9 HA ALA 9 3.897 -17.013 -9.112 59 HB1 ALA 9 HB1 ALA 9 3.972 -15.322 -6.595 60 HB2 ALA 9 HB2 ALA 9 5.286 -15.432 -7.829 61 HB3 ALA 9 HB3 ALA 9 4.885 -16.717 -6.771 62 H ARG 10 HN ARG 10 0.966 -15.725 -7.932 63 HA ARG 10 HA ARG 10 0.417 -18.072 -6.252 64 HB2 ARG 10 HB2 ARG 10 0.053 -15.825 -5.281 65 HB3 ARG 10 HB1 ARG 10 -1.092 -15.454 -6.557 66 HG2 ARG 10 HG2 ARG 10 -2.575 -17.223 -5.832 67 HG3 ARG 10 HG1 ARG 10 -1.382 -17.808 -4.673 68 HD2 ARG 10 HD2 ARG 10 -3.021 -16.492 -3.479 69 HD3 ARG 10 HD1 ARG 10 -1.513 -15.581 -3.522 70 HE ARG 10 HE ARG 10 -3.153 -14.869 -5.736 71 HH11 ARG 10 HH11 ARG 10 -4.228 -12.868 -5.644 72 HH12 ARG 10 HH12 ARG 10 -4.444 -12.077 -4.118 73 HH21 ARG 10 HH21 ARG 10 -2.843 -14.559 -2.303 74 HH22 ARG 10 HH22 ARG 10 -3.660 -13.035 -2.227 75 H MET 11 HN MET 11 -0.135 -16.817 -9.353 76 HA MET 11 HA MET 11 -2.442 -18.618 -9.729 77 HB2 MET 11 HB2 MET 11 -3.153 -17.003 -11.571 78 HB3 MET 11 HB1 MET 11 -3.331 -16.450 -9.906 79 HG2 MET 11 HG2 MET 11 -0.788 -15.602 -10.455 80 HG3 MET 11 HG1 MET 11 -1.519 -15.453 -12.028 81 HE1 MET 11 HE1 MET 11 -3.679 -14.167 -12.533 82 HE2 MET 11 HE2 MET 11 -4.625 -13.268 -11.349 83 HE3 MET 11 HE3 MET 11 -4.530 -15.018 -11.240 84 H THR 12 HN THR 12 -2.644 -19.530 -11.878 85 HA THR 12 HA THR 12 -0.108 -20.371 -12.978 86 HB THR 12 HB THR 12 -1.589 -21.491 -14.694 87 HG1 THR 12 HG1 THR 12 -3.865 -21.371 -13.491 88 HG21 THR 12 HG21 THR 12 -0.848 -22.537 -12.535 89 HG22 THR 12 HG22 THR 12 -2.395 -23.148 -13.121 90 HG23 THR 12 HG23 THR 12 -2.352 -21.975 -11.805 91 H HIS 13 HN HIS 13 0.442 -20.133 -15.284 92 HA HIS 13 HA HIS 13 0.392 -17.396 -16.127 93 HB2 HIS 13 HB2 HIS 13 1.234 -19.937 -17.544 94 HB3 HIS 13 HB1 HIS 13 1.449 -18.318 -18.213 95 HD1 HIS 13 HD1 HIS 13 3.034 -16.677 -16.831 96 HD2 HIS 13 HD2 HIS 13 3.132 -20.666 -15.626 97 HE1 HIS 13 HE1 HIS 13 5.101 -16.939 -15.390 98 H LYS 14 HN LYS 14 -1.366 -20.295 -17.264 99 HA LYS 14 HA LYS 14 -2.647 -19.042 -19.398 100 HB2 LYS 14 HB2 LYS 14 -2.679 -21.392 -19.205 101 HB3 LYS 14 HB1 LYS 14 -3.461 -21.309 -17.586 102 HG2 LYS 14 HG2 LYS 14 -5.502 -20.435 -18.603 103 HG3 LYS 14 HG1 LYS 14 -4.727 -20.358 -20.185 104 HD2 LYS 14 HD2 LYS 14 -4.483 -22.818 -20.169 105 HD3 LYS 14 HD1 LYS 14 -5.280 -22.879 -18.595 106 HE2 LYS 14 HE2 LYS 14 -7.302 -21.876 -19.554 107 HE3 LYS 14 HE1 LYS 14 -6.513 -21.749 -21.126 108 HZ1 LYS 14 HZ1 LYS 14 -6.510 -24.373 -19.873 109 HZ2 LYS 14 HZ2 LYS 14 -6.704 -23.946 -21.506 110 HZ3 LYS 14 HZ3 LYS 14 -8.010 -23.812 -20.428 111 H GLU 15 HN GLU 15 -3.565 -19.263 -15.992 112 HA GLU 15 HA GLU 15 -6.079 -17.996 -16.330 113 HB2 GLU 15 HB2 GLU 15 -5.433 -19.379 -14.365 114 HB3 GLU 15 HB1 GLU 15 -4.345 -18.089 -13.855 115 HG2 GLU 15 HG2 GLU 15 -6.383 -17.774 -12.638 116 HG3 GLU 15 HG1 GLU 15 -6.371 -16.539 -13.892 117 H PHE 16 HN PHE 16 -2.887 -16.826 -15.376 118 HA PHE 16 HA PHE 16 -3.589 -14.137 -14.877 119 HB2 PHE 16 HB2 PHE 16 -1.409 -15.139 -14.239 120 HB3 PHE 16 HB1 PHE 16 -0.958 -15.185 -15.938 121 HD1 PHE 16 HD1 PHE 16 -0.337 -13.190 -17.132 122 HD2 PHE 16 HD2 PHE 16 -1.747 -12.954 -13.082 123 HE1 PHE 16 HE1 PHE 16 0.414 -10.830 -17.009 124 HE2 PHE 16 HE2 PHE 16 -0.998 -10.592 -12.960 125 HZ PHE 16 HZ PHE 16 0.082 -9.531 -14.923 126 H ASN 17 HN ASN 17 -2.436 -15.690 -17.889 127 HA ASN 17 HA ASN 17 -2.448 -13.311 -19.450 128 HB2 ASN 17 HB2 ASN 17 -2.676 -16.243 -20.161 129 HB3 ASN 17 HB1 ASN 17 -2.565 -14.954 -21.361 130 HD21 ASN 17 HD21 ASN 17 -0.534 -16.973 -21.116 131 HD22 ASN 17 HD22 ASN 17 0.889 -16.224 -20.572 132 H TYR 18 HN TYR 18 -4.940 -15.770 -18.852 133 HA TYR 18 HA TYR 18 -6.806 -14.846 -20.716 134 HB2 TYR 18 HB2 TYR 18 -7.067 -16.976 -19.716 135 HB3 TYR 18 HB1 TYR 18 -7.194 -16.273 -18.086 136 HD1 TYR 18 HD1 TYR 18 -8.910 -16.968 -21.251 137 HD2 TYR 18 HD2 TYR 18 -9.209 -14.942 -17.479 138 HE1 TYR 18 HE1 TYR 18 -11.351 -16.685 -21.594 139 HE2 TYR 18 HE2 TYR 18 -11.644 -14.660 -17.817 140 HH TYR 18 HH TYR 18 -13.419 -15.385 -19.052 141 H LYS 19 HN LYS 19 -6.590 -14.169 -17.274 142 HA LYS 19 HA LYS 19 -8.737 -12.338 -17.157 143 HB2 LYS 19 HB2 LYS 19 -6.324 -12.502 -15.345 144 HB3 LYS 19 HB1 LYS 19 -7.877 -11.741 -14.992 145 HG2 LYS 19 HG2 LYS 19 -7.738 -14.661 -15.718 146 HG3 LYS 19 HG1 LYS 19 -7.449 -14.135 -14.066 147 HD2 LYS 19 HD2 LYS 19 -9.650 -13.013 -14.034 148 HD3 LYS 19 HD1 LYS 19 -9.946 -13.553 -15.685 149 HE2 LYS 19 HE2 LYS 19 -9.834 -15.879 -14.996 150 HE3 LYS 19 HE1 LYS 19 -9.430 -15.401 -13.346 151 HZ1 LYS 19 HZ1 LYS 19 -11.636 -14.011 -13.675 152 HZ2 LYS 19 HZ2 LYS 19 -11.658 -15.618 -13.124 153 HZ3 LYS 19 HZ3 LYS 19 -11.981 -15.271 -14.756 154 H SER 20 HN SER 20 -5.288 -11.922 -17.699 155 HA SER 20 HA SER 20 -5.244 -9.107 -17.522 156 HB2 SER 20 HB2 SER 20 -3.179 -10.514 -17.572 157 HB3 SER 20 HB1 SER 20 -3.525 -10.921 -19.250 158 HG SER 20 HG SER 20 -2.284 -9.200 -19.502 159 H ASN 21 HN ASN 21 -5.881 -11.203 -20.233 160 HA ASN 21 HA ASN 21 -6.214 -9.161 -22.199 161 HB2 ASN 21 HB2 ASN 21 -7.105 -12.029 -21.962 162 HB3 ASN 21 HB1 ASN 21 -7.736 -10.992 -23.247 163 HD21 ASN 21 HD21 ASN 21 -5.544 -9.488 -23.997 164 HD22 ASN 21 HD22 ASN 21 -4.294 -10.498 -24.545 165 H VAL 22 HN VAL 22 -8.392 -10.561 -19.811 166 HA VAL 22 HA VAL 22 -10.795 -9.424 -20.810 167 HB VAL 22 HB VAL 22 -10.021 -10.237 -18.015 168 HG11 VAL 22 HG11 VAL 22 -11.866 -8.757 -17.777 169 HG12 VAL 22 HG12 VAL 22 -12.577 -10.371 -17.798 170 HG13 VAL 22 HG13 VAL 22 -12.637 -9.360 -19.243 171 HG21 VAL 22 HG21 VAL 22 -11.808 -11.665 -19.989 172 HG22 VAL 22 HG22 VAL 22 -11.042 -12.316 -18.539 173 HG23 VAL 22 HG23 VAL 22 -10.069 -11.938 -19.958 174 H CYS 23 HN CYS 23 -8.527 -8.322 -18.286 175 HA CYS 23 HA CYS 23 -9.876 -5.853 -17.758 176 HB2 CYS 23 HB2 CYS 23 -7.142 -6.961 -17.151 177 HB3 CYS 23 HB1 CYS 23 -7.572 -5.266 -16.791 178 H ASN 24 HN ASN 24 -7.109 -6.676 -19.860 179 HA ASN 24 HA ASN 24 -6.572 -4.015 -20.610 180 HB2 ASN 24 HB2 ASN 24 -6.115 -6.649 -22.015 181 HB3 ASN 24 HB1 ASN 24 -5.501 -5.105 -22.608 182 HD21 ASN 24 HD21 ASN 24 -3.753 -7.249 -21.822 183 HD22 ASN 24 HD22 ASN 24 -2.896 -6.751 -20.444 184 H GLY 25 HN GLY 25 -9.052 -6.277 -21.649 185 HA2 GLY 25 HA2 GLY 25 -9.673 -4.598 -23.936 186 HA3 GLY 25 HA1 GLY 25 -10.561 -6.057 -23.489 187 H CYS 26 HN CYS 26 -10.045 -4.046 -20.818 188 HA CYS 26 HA CYS 26 -12.843 -3.255 -20.902 189 HB2 CYS 26 HB2 CYS 26 -11.732 -4.365 -18.888 190 HB3 CYS 26 HB1 CYS 26 -11.021 -2.772 -18.571 191 H GLY 27 HN GLY 27 -11.649 -1.851 -22.706 192 HA2 GLY 27 HA2 GLY 27 -11.172 0.182 -23.484 193 HA3 GLY 27 HA1 GLY 27 -12.423 0.714 -22.385 194 H ASP 28 HN ASP 28 -11.782 2.311 -20.982 195 HA ASP 28 HA ASP 28 -8.901 2.752 -20.601 196 HB2 ASP 28 HB2 ASP 28 -11.323 4.470 -20.051 197 HB3 ASP 28 HB1 ASP 28 -9.677 4.945 -19.622 198 H GLN 29 HN GLN 29 -10.896 0.803 -19.122 199 HA GLN 29 HA GLN 29 -10.284 1.613 -16.323 200 HB2 GLN 29 HB2 GLN 29 -12.059 -0.637 -17.272 201 HB3 GLN 29 HB1 GLN 29 -11.924 0.014 -15.644 202 HG2 GLN 29 HG2 GLN 29 -13.864 1.050 -16.456 203 HG3 GLN 29 HG1 GLN 29 -12.618 2.279 -16.694 204 HE21 GLN 29 HE21 GLN 29 -12.894 3.263 -18.714 205 HE22 GLN 29 HE22 GLN 29 -13.349 2.452 -20.134 206 H VAL 30 HN VAL 30 -8.709 0.118 -18.661 207 HA VAL 30 HA VAL 30 -8.062 -2.396 -17.931 208 HB VAL 30 HB VAL 30 -6.769 -1.883 -19.744 209 HG11 VAL 30 HG11 VAL 30 -7.417 0.413 -19.974 210 HG12 VAL 30 HG12 VAL 30 -5.655 0.458 -19.912 211 HG13 VAL 30 HG13 VAL 30 -6.599 0.867 -18.479 212 HG21 VAL 30 HG21 VAL 30 -4.443 -1.660 -19.278 213 HG22 VAL 30 HG22 VAL 30 -5.123 -2.549 -17.919 214 HG23 VAL 30 HG23 VAL 30 -4.745 -0.824 -17.754 215 H ALA 31 HN ALA 31 -6.501 0.540 -16.549 216 HA ALA 31 HA ALA 31 -4.836 -0.979 -14.887 217 HB1 ALA 31 HB1 ALA 31 -4.079 1.028 -13.971 218 HB2 ALA 31 HB2 ALA 31 -5.505 1.961 -14.473 219 HB3 ALA 31 HB3 ALA 31 -4.373 1.365 -15.664 220 H ALA 32 HN ALA 32 -7.949 0.586 -14.295 221 HA ALA 32 HA ALA 32 -8.064 0.052 -11.535 222 HB1 ALA 32 HB1 ALA 32 -10.600 0.123 -12.075 223 HB2 ALA 32 HB2 ALA 32 -10.093 0.485 -13.726 224 HB3 ALA 32 HB3 ALA 32 -9.707 1.604 -12.441 225 H CYS 33 HN CYS 33 -8.979 -1.712 -14.386 226 HA CYS 33 HA CYS 33 -10.266 -3.867 -13.073 227 HB2 CYS 33 HB2 CYS 33 -10.584 -3.352 -15.462 228 HB3 CYS 33 HB1 CYS 33 -8.959 -3.914 -15.774 229 H GLU 34 HN GLU 34 -6.923 -3.221 -13.951 230 HA GLU 34 HA GLU 34 -6.023 -5.854 -13.316 231 HB2 GLU 34 HB2 GLU 34 -4.678 -3.290 -14.115 232 HB3 GLU 34 HB1 GLU 34 -3.717 -4.621 -13.540 233 HG2 GLU 34 HG2 GLU 34 -4.904 -6.050 -15.309 234 HG3 GLU 34 HG1 GLU 34 -5.579 -4.555 -15.922 235 H ALA 35 HN ALA 35 -6.632 -2.981 -11.488 236 HA ALA 35 HA ALA 35 -4.735 -2.782 -9.595 237 HB1 ALA 35 HB1 ALA 35 -6.554 -2.090 -8.078 238 HB2 ALA 35 HB2 ALA 35 -7.693 -2.899 -9.120 239 HB3 ALA 35 HB3 ALA 35 -6.882 -1.413 -9.656 240 H GLU 36 HN GLU 36 -7.543 -4.855 -9.153 241 HA GLU 36 HA GLU 36 -6.071 -6.155 -6.953 242 HB2 GLU 36 HB2 GLU 36 -9.000 -6.146 -7.655 243 HB3 GLU 36 HB1 GLU 36 -8.308 -7.128 -6.362 244 HG2 GLU 36 HG2 GLU 36 -7.459 -5.129 -5.246 245 HG3 GLU 36 HG1 GLU 36 -8.026 -4.117 -6.573 246 H CYS 37 HN CYS 37 -5.104 -6.920 -9.489 247 HA CYS 37 HA CYS 37 -4.781 -8.731 -10.810 248 HB2 CYS 37 HB2 CYS 37 -4.746 -9.604 -8.079 249 HB3 CYS 37 HB1 CYS 37 -5.630 -10.826 -8.971 250 H PHE 38 HN PHE 38 -7.157 -7.516 -11.195 251 HA PHE 38 HA PHE 38 -9.044 -7.838 -12.356 252 HB2 PHE 38 HB2 PHE 38 -8.821 -10.817 -12.640 253 HB3 PHE 38 HB1 PHE 38 -9.046 -9.534 -13.857 254 HD1 PHE 38 HD1 PHE 38 -6.837 -12.019 -12.809 255 HD2 PHE 38 HD2 PHE 38 -6.875 -7.877 -13.886 256 HE1 PHE 38 HE1 PHE 38 -4.424 -12.127 -13.346 257 HE2 PHE 38 HE2 PHE 38 -4.461 -8.004 -14.418 258 HZ PHE 38 HZ PHE 38 -3.240 -10.119 -14.153 259 H ARG 39 HN ARG 39 -8.608 -8.712 -9.353 260 HA ARG 39 HA ARG 39 -11.215 -10.013 -8.936 261 HB2 ARG 39 HB2 ARG 39 -9.138 -9.310 -6.833 262 HB3 ARG 39 HB1 ARG 39 -10.445 -10.479 -6.706 263 HG2 ARG 39 HG2 ARG 39 -8.085 -10.734 -8.596 264 HG3 ARG 39 HG1 ARG 39 -8.236 -11.578 -7.058 265 HD2 ARG 39 HD2 ARG 39 -10.461 -12.480 -7.950 266 HD3 ARG 39 HD1 ARG 39 -9.943 -11.886 -9.526 267 HE ARG 39 HE ARG 39 -7.984 -13.563 -8.221 268 HH11 ARG 39 HH11 ARG 39 -7.600 -15.566 -9.214 269 HH12 ARG 39 HH12 ARG 39 -8.698 -16.156 -10.416 270 HH21 ARG 39 HH21 ARG 39 -10.801 -13.404 -10.223 271 HH22 ARG 39 HH22 ARG 39 -10.512 -14.931 -10.988 272 H ASN 40 HN ASN 40 -12.261 -8.120 -9.717 273 HA ASN 40 HA ASN 40 -12.994 -6.365 -7.511 274 HB2 ASN 40 HB2 ASN 40 -12.443 -4.259 -8.783 275 HB3 ASN 40 HB1 ASN 40 -11.049 -5.227 -8.285 276 HD21 ASN 40 HD21 ASN 40 -9.771 -4.302 -10.031 277 HD22 ASN 40 HD22 ASN 40 -9.999 -4.827 -11.627 278 H ASP 41 HN ASP 41 -14.733 -4.749 -8.236 279 HA ASP 41 HA ASP 41 -16.676 -6.267 -9.563 280 HB2 ASP 41 HB2 ASP 41 -16.648 -3.307 -8.781 281 HB3 ASP 41 HB1 ASP 41 -18.094 -4.173 -9.265 282 H VAL 42 HN VAL 42 -14.438 -3.769 -10.638 283 HA VAL 42 HA VAL 42 -15.735 -3.199 -13.106 284 HB VAL 42 HB VAL 42 -12.858 -3.025 -12.151 285 HG11 VAL 42 HG11 VAL 42 -14.017 -2.320 -14.848 286 HG12 VAL 42 HG12 VAL 42 -12.665 -3.396 -14.494 287 HG13 VAL 42 HG13 VAL 42 -12.498 -1.666 -14.246 288 HG21 VAL 42 HG21 VAL 42 -14.251 -1.327 -11.174 289 HG22 VAL 42 HG22 VAL 42 -15.032 -0.994 -12.722 290 HG23 VAL 42 HG23 VAL 42 -13.339 -0.546 -12.477 291 H TYR 43 HN TYR 43 -13.323 -5.606 -12.176 292 HA TYR 43 HA TYR 43 -12.894 -6.747 -14.668 293 HB2 TYR 43 HB2 TYR 43 -11.537 -7.475 -12.797 294 HB3 TYR 43 HB1 TYR 43 -12.961 -7.979 -11.893 295 HD1 TYR 43 HD1 TYR 43 -10.944 -8.698 -14.946 296 HD2 TYR 43 HD2 TYR 43 -13.882 -10.144 -12.167 297 HE1 TYR 43 HE1 TYR 43 -10.794 -10.958 -15.954 298 HE2 TYR 43 HE2 TYR 43 -13.732 -12.402 -13.179 299 HH TYR 43 HH TYR 43 -13.068 -13.392 -15.354 300 H THR 44 HN THR 44 -15.328 -7.544 -12.206 301 HA THR 44 HA THR 44 -16.608 -9.538 -13.665 302 HB THR 44 HB THR 44 -17.747 -7.626 -11.621 303 HG1 THR 44 HG1 THR 44 -17.120 -10.369 -11.426 304 HG21 THR 44 HG21 THR 44 -19.540 -9.444 -11.442 305 HG22 THR 44 HG22 THR 44 -18.957 -10.038 -12.998 306 HG23 THR 44 HG23 THR 44 -19.635 -8.414 -12.871 307 H ALA 45 HN ALA 45 -17.330 -6.075 -13.577 308 HA ALA 45 HA ALA 45 -19.499 -5.898 -15.325 309 HB1 ALA 45 HB1 ALA 45 -18.740 -3.452 -15.389 310 HB2 ALA 45 HB2 ALA 45 -17.179 -4.028 -14.905 311 HB3 ALA 45 HB3 ALA 45 -18.539 -4.138 -13.802 312 H CYS 46 HN CYS 46 -15.965 -5.692 -15.906 313 HA CYS 46 HA CYS 46 -16.207 -5.318 -18.705 314 HB2 CYS 46 HB2 CYS 46 -13.779 -6.386 -17.181 315 HB3 CYS 46 HB1 CYS 46 -13.786 -5.639 -18.799 316 H HIS 47 HN HIS 47 -15.590 -8.185 -16.701 317 HA HIS 47 HA HIS 47 -15.269 -9.963 -18.856 318 HB2 HIS 47 HB2 HIS 47 -14.534 -10.404 -16.493 319 HB3 HIS 47 HB1 HIS 47 -16.229 -10.614 -16.053 320 HD1 HIS 47 HD1 HIS 47 -15.035 -11.846 -19.371 321 HD2 HIS 47 HD2 HIS 47 -15.832 -13.414 -15.592 322 HE1 HIS 47 HE1 HIS 47 -15.052 -14.364 -19.629 323 H GLU 48 HN GLU 48 -18.086 -9.082 -16.907 324 HA GLU 48 HA GLU 48 -19.877 -10.910 -18.145 325 HB2 GLU 48 HB2 GLU 48 -20.465 -8.339 -16.669 326 HB3 GLU 48 HB1 GLU 48 -21.622 -9.579 -17.072 327 HG2 GLU 48 HG2 GLU 48 -19.152 -10.338 -15.521 328 HG3 GLU 48 HG1 GLU 48 -20.543 -9.654 -14.688 329 H ALA 49 HN ALA 49 -18.723 -7.726 -18.945 330 HA ALA 49 HA ALA 49 -20.806 -7.119 -20.788 331 HB1 ALA 49 HB1 ALA 49 -18.083 -5.916 -20.284 332 HB2 ALA 49 HB2 ALA 49 -19.659 -5.276 -19.816 333 HB3 ALA 49 HB3 ALA 49 -19.184 -5.296 -21.515 334 H GLN 50 HN GLN 50 -17.850 -8.961 -20.918 335 HA GLN 50 HA GLN 50 -17.757 -8.822 -23.847 336 HB2 GLN 50 HB2 GLN 50 -15.921 -10.074 -21.767 337 HB3 GLN 50 HB1 GLN 50 -15.653 -10.219 -23.504 338 HG2 GLN 50 HG2 GLN 50 -15.879 -7.585 -22.030 339 HG3 GLN 50 HG1 GLN 50 -14.349 -8.361 -22.433 340 HE21 GLN 50 HE21 GLN 50 -16.201 -5.911 -23.494 341 HE22 GLN 50 HE22 GLN 50 -15.941 -6.025 -25.167 342 H LYS 51 HN LYS 51 -18.554 -10.308 -25.114 343 HA LYS 51 HA LYS 51 -20.187 -12.407 -24.126 344 HB2 LYS 51 HB2 LYS 51 -19.014 -11.921 -26.876 345 HB3 LYS 51 HB1 LYS 51 -20.215 -13.161 -26.515 346 HG2 LYS 51 HG2 LYS 51 -21.770 -11.432 -25.704 347 HG3 LYS 51 HG1 LYS 51 -20.570 -10.186 -26.052 348 HD2 LYS 51 HD2 LYS 51 -20.613 -10.795 -28.437 349 HD3 LYS 51 HD1 LYS 51 -21.800 -12.056 -28.099 350 HE2 LYS 51 HE2 LYS 51 -23.385 -10.359 -27.279 351 HE3 LYS 51 HE1 LYS 51 -22.199 -9.092 -27.591 352 HZ1 LYS 51 HZ1 LYS 51 -22.531 -9.195 -29.803 353 HZ2 LYS 51 HZ2 LYS 51 -24.047 -9.812 -29.345 354 HZ3 LYS 51 HZ3 LYS 51 -22.801 -10.869 -29.811 Start of MODEL 19 1 H1 SER 1 HT1 SER 1 6.510 -5.209 -1.285 2 HA SER 1 HA SER 1 4.818 -7.576 -1.431 3 HB2 SER 1 HB2 SER 1 2.767 -6.247 -1.391 4 HB3 SER 1 HB1 SER 1 3.610 -6.072 0.145 5 HG SER 1 HG SER 1 3.975 -4.038 -0.295 6 H GLU 2 HN GLU 2 6.040 -7.799 -3.374 7 HA GLU 2 HA GLU 2 6.491 -5.863 -5.281 8 HB2 GLU 2 HB2 GLU 2 6.442 -8.768 -5.188 9 HB3 GLU 2 HB1 GLU 2 6.012 -8.183 -6.775 10 HG2 GLU 2 HG2 GLU 2 8.446 -8.508 -6.587 11 HG3 GLU 2 HG1 GLU 2 8.078 -6.801 -6.788 12 HA PRO 3 HA PRO 3 2.596 -4.992 -7.088 13 HB2 PRO 3 HB2 PRO 3 3.198 -4.315 -9.610 14 HB3 PRO 3 HB1 PRO 3 3.847 -3.413 -8.183 15 HG2 PRO 3 HG2 PRO 3 5.221 -5.402 -9.932 16 HG3 PRO 3 HG1 PRO 3 5.830 -3.891 -9.236 17 HD2 PRO 3 HD2 PRO 3 6.244 -6.431 -8.152 18 HD3 PRO 3 HD1 PRO 3 6.424 -4.904 -7.269 19 H ASP 4 HN ASP 4 3.574 -6.048 -10.159 20 HA ASP 4 HA ASP 4 1.473 -8.139 -10.223 21 HB2 ASP 4 HB2 ASP 4 1.348 -6.496 -12.003 22 HB3 ASP 4 HB1 ASP 4 3.048 -6.782 -12.420 23 H GLU 5 HN GLU 5 4.198 -8.425 -8.969 24 HA GLU 5 HA GLU 5 5.128 -10.771 -10.549 25 HB2 GLU 5 HB2 GLU 5 7.166 -9.861 -10.094 26 HB3 GLU 5 HB1 GLU 5 6.489 -8.759 -8.907 27 HG2 GLU 5 HG2 GLU 5 8.106 -10.344 -7.875 28 HG3 GLU 5 HG1 GLU 5 6.502 -10.592 -7.214 29 H ILE 6 HN ILE 6 4.224 -9.739 -7.265 30 HA ILE 6 HA ILE 6 4.301 -12.357 -6.185 31 HB ILE 6 HB ILE 6 3.176 -9.726 -5.292 32 HG12 ILE 6 HG12 ILE 6 5.626 -10.758 -5.004 33 HG13 ILE 6 HG11 ILE 6 4.894 -9.811 -3.705 34 HG21 ILE 6 HG21 ILE 6 1.403 -11.080 -4.522 35 HG22 ILE 6 HG22 ILE 6 2.494 -10.995 -3.137 36 HG23 ILE 6 HG23 ILE 6 2.479 -12.431 -4.161 37 HD11 ILE 6 HD11 ILE 6 4.545 -12.805 -3.875 38 HD12 ILE 6 HD12 ILE 6 4.344 -11.756 -2.471 39 HD13 ILE 6 HD13 ILE 6 5.959 -12.095 -3.096 40 H CYS 7 HN CYS 7 1.771 -10.401 -7.561 41 HA CYS 7 HA CYS 7 -0.386 -12.088 -6.951 42 HB2 CYS 7 HB2 CYS 7 -0.148 -9.656 -8.252 43 HB3 CYS 7 HB1 CYS 7 -0.623 -10.729 -9.562 44 H ARG 8 HN ARG 8 1.730 -12.024 -9.713 45 HA ARG 8 HA ARG 8 0.469 -14.079 -11.201 46 HB2 ARG 8 HB2 ARG 8 2.105 -12.510 -12.182 47 HB3 ARG 8 HB1 ARG 8 3.385 -13.297 -11.260 48 HG2 ARG 8 HG2 ARG 8 2.908 -15.433 -12.382 49 HG3 ARG 8 HG1 ARG 8 1.587 -14.680 -13.276 50 HD2 ARG 8 HD2 ARG 8 3.574 -14.771 -14.688 51 HD3 ARG 8 HD1 ARG 8 3.215 -13.095 -14.285 52 HE ARG 8 HE ARG 8 5.169 -13.019 -13.000 53 HH11 ARG 8 HH11 ARG 8 7.170 -13.884 -12.359 54 HH12 ARG 8 HH12 ARG 8 7.489 -15.571 -12.581 55 HH21 ARG 8 HH21 ARG 8 4.394 -16.241 -13.993 56 HH22 ARG 8 HH22 ARG 8 5.916 -16.907 -13.507 57 H ALA 9 HN ALA 9 3.022 -14.140 -8.787 58 HA ALA 9 HA ALA 9 3.781 -16.801 -9.074 59 HB1 ALA 9 HB1 ALA 9 3.740 -15.330 -6.434 60 HB2 ALA 9 HB2 ALA 9 4.983 -15.029 -7.726 61 HB3 ALA 9 HB3 ALA 9 4.901 -16.476 -6.909 62 H ARG 10 HN ARG 10 0.818 -15.553 -7.976 63 HA ARG 10 HA ARG 10 0.247 -17.900 -6.315 64 HB2 ARG 10 HB2 ARG 10 -0.593 -15.096 -6.387 65 HB3 ARG 10 HB1 ARG 10 -1.963 -16.203 -6.185 66 HG2 ARG 10 HG2 ARG 10 -0.825 -17.254 -4.274 67 HG3 ARG 10 HG1 ARG 10 0.560 -16.185 -4.494 68 HD2 ARG 10 HD2 ARG 10 -0.892 -15.329 -2.724 69 HD3 ARG 10 HD1 ARG 10 -0.903 -14.232 -4.101 70 HE ARG 10 HE ARG 10 -3.026 -16.093 -4.354 71 HH11 ARG 10 HH11 ARG 10 -5.130 -15.382 -3.873 72 HH12 ARG 10 HH12 ARG 10 -5.359 -13.966 -2.902 73 HH21 ARG 10 HH21 ARG 10 -1.967 -13.378 -2.491 74 HH22 ARG 10 HH22 ARG 10 -3.568 -12.830 -2.120 75 H MET 11 HN MET 11 -0.214 -16.713 -9.463 76 HA MET 11 HA MET 11 -2.456 -18.586 -9.853 77 HB2 MET 11 HB2 MET 11 -3.178 -17.045 -11.741 78 HB3 MET 11 HB1 MET 11 -3.400 -16.455 -10.096 79 HG2 MET 11 HG2 MET 11 -1.376 -15.143 -10.250 80 HG3 MET 11 HG1 MET 11 -1.007 -15.813 -11.834 81 HE1 MET 11 HE1 MET 11 -4.749 -14.611 -10.598 82 HE2 MET 11 HE2 MET 11 -4.276 -12.918 -10.589 83 HE3 MET 11 HE3 MET 11 -3.376 -14.079 -9.615 84 H THR 12 HN THR 12 -2.563 -19.516 -12.002 85 HA THR 12 HA THR 12 0.039 -20.275 -13.025 86 HB THR 12 HB THR 12 -1.230 -21.607 -14.652 87 HG1 THR 12 HG1 THR 12 -2.991 -20.491 -15.155 88 HG21 THR 12 HG21 THR 12 -0.886 -22.349 -12.260 89 HG22 THR 12 HG22 THR 12 -2.265 -23.091 -13.071 90 HG23 THR 12 HG23 THR 12 -2.519 -21.777 -11.923 91 H HIS 13 HN HIS 13 0.598 -20.064 -15.347 92 HA HIS 13 HA HIS 13 0.500 -17.340 -16.213 93 HB2 HIS 13 HB2 HIS 13 1.386 -19.888 -17.584 94 HB3 HIS 13 HB1 HIS 13 1.541 -18.290 -18.312 95 HD1 HIS 13 HD1 HIS 13 2.834 -20.380 -15.453 96 HD2 HIS 13 HD2 HIS 13 3.596 -16.683 -17.222 97 HE1 HIS 13 HE1 HIS 13 4.995 -19.533 -14.439 98 H LYS 14 HN LYS 14 -1.241 -20.264 -17.280 99 HA LYS 14 HA LYS 14 -2.555 -19.067 -19.423 100 HB2 LYS 14 HB2 LYS 14 -2.596 -21.415 -19.221 101 HB3 LYS 14 HB1 LYS 14 -3.303 -21.321 -17.566 102 HG2 LYS 14 HG2 LYS 14 -5.399 -20.510 -18.472 103 HG3 LYS 14 HG1 LYS 14 -4.700 -20.349 -20.083 104 HD2 LYS 14 HD2 LYS 14 -4.392 -22.794 -20.180 105 HD3 LYS 14 HD1 LYS 14 -5.108 -22.942 -18.574 106 HE2 LYS 14 HE2 LYS 14 -6.494 -21.766 -21.003 107 HE3 LYS 14 HE1 LYS 14 -6.778 -23.380 -20.351 108 HZ1 LYS 14 HZ1 LYS 14 -7.004 -21.649 -18.216 109 HZ2 LYS 14 HZ2 LYS 14 -8.265 -22.467 -19.009 110 HZ3 LYS 14 HZ3 LYS 14 -7.835 -20.894 -19.488 111 H GLU 15 HN GLU 15 -3.449 -19.268 -15.997 112 HA GLU 15 HA GLU 15 -5.989 -18.042 -16.318 113 HB2 GLU 15 HB2 GLU 15 -5.318 -19.422 -14.354 114 HB3 GLU 15 HB1 GLU 15 -4.230 -18.128 -13.856 115 HG2 GLU 15 HG2 GLU 15 -6.116 -16.569 -13.686 116 HG3 GLU 15 HG1 GLU 15 -7.222 -17.828 -14.233 117 H PHE 16 HN PHE 16 -2.807 -16.822 -15.376 118 HA PHE 16 HA PHE 16 -3.551 -14.134 -14.888 119 HB2 PHE 16 HB2 PHE 16 -1.369 -14.911 -14.175 120 HB3 PHE 16 HB1 PHE 16 -0.933 -15.314 -15.850 121 HD1 PHE 16 HD1 PHE 16 -1.935 -12.436 -13.668 122 HD2 PHE 16 HD2 PHE 16 0.074 -13.715 -17.240 123 HE1 PHE 16 HE1 PHE 16 -1.098 -10.136 -14.018 124 HE2 PHE 16 HE2 PHE 16 0.908 -11.408 -17.593 125 HZ PHE 16 HZ PHE 16 0.320 -9.618 -15.981 126 H ASN 17 HN ASN 17 -2.391 -15.699 -17.889 127 HA ASN 17 HA ASN 17 -2.465 -13.351 -19.476 128 HB2 ASN 17 HB2 ASN 17 -1.230 -15.166 -20.358 129 HB3 ASN 17 HB1 ASN 17 -2.523 -16.310 -20.096 130 HD21 ASN 17 HD21 ASN 17 -1.415 -13.678 -22.196 131 HD22 ASN 17 HD22 ASN 17 -2.527 -13.974 -23.443 132 H TYR 18 HN TYR 18 -4.912 -15.836 -18.828 133 HA TYR 18 HA TYR 18 -6.796 -14.964 -20.676 134 HB2 TYR 18 HB2 TYR 18 -7.027 -17.094 -19.650 135 HB3 TYR 18 HB1 TYR 18 -7.133 -16.373 -18.028 136 HD1 TYR 18 HD1 TYR 18 -8.891 -17.006 -21.207 137 HD2 TYR 18 HD2 TYR 18 -9.157 -15.175 -17.341 138 HE1 TYR 18 HE1 TYR 18 -11.344 -16.754 -21.490 139 HE2 TYR 18 HE2 TYR 18 -11.600 -14.914 -17.616 140 HH TYR 18 HH TYR 18 -13.181 -15.604 -20.664 141 H LYS 19 HN LYS 19 -6.574 -14.254 -17.234 142 HA LYS 19 HA LYS 19 -8.743 -12.440 -17.137 143 HB2 LYS 19 HB2 LYS 19 -6.317 -12.541 -15.326 144 HB3 LYS 19 HB1 LYS 19 -7.876 -11.795 -14.980 145 HG2 LYS 19 HG2 LYS 19 -7.678 -14.722 -15.654 146 HG3 LYS 19 HG1 LYS 19 -7.446 -14.155 -14.006 147 HD2 LYS 19 HD2 LYS 19 -9.671 -13.048 -14.097 148 HD3 LYS 19 HD1 LYS 19 -9.915 -13.702 -15.711 149 HE2 LYS 19 HE2 LYS 19 -9.689 -15.990 -14.827 150 HE3 LYS 19 HE1 LYS 19 -9.471 -15.333 -13.204 151 HZ1 LYS 19 HZ1 LYS 19 -11.680 -14.145 -13.679 152 HZ2 LYS 19 HZ2 LYS 19 -11.718 -15.798 -13.288 153 HZ3 LYS 19 HZ3 LYS 19 -11.879 -15.300 -14.905 154 H SER 20 HN SER 20 -5.303 -11.989 -17.686 155 HA SER 20 HA SER 20 -5.302 -9.179 -17.578 156 HB2 SER 20 HB2 SER 20 -3.555 -11.014 -19.241 157 HB3 SER 20 HB1 SER 20 -3.217 -9.319 -18.906 158 HG SER 20 HG SER 20 -2.500 -11.357 -17.477 159 H ASN 21 HN ASN 21 -5.910 -11.328 -20.257 160 HA ASN 21 HA ASN 21 -6.242 -9.336 -22.272 161 HB2 ASN 21 HB2 ASN 21 -5.928 -11.725 -22.795 162 HB3 ASN 21 HB1 ASN 21 -7.496 -12.080 -22.055 163 HD21 ASN 21 HD21 ASN 21 -8.951 -12.449 -23.745 164 HD22 ASN 21 HD22 ASN 21 -9.091 -11.479 -25.131 165 H VAL 22 HN VAL 22 -8.431 -10.714 -19.893 166 HA VAL 22 HA VAL 22 -10.837 -9.625 -20.932 167 HB VAL 22 HB VAL 22 -10.076 -10.379 -18.115 168 HG11 VAL 22 HG11 VAL 22 -11.940 -8.880 -17.950 169 HG12 VAL 22 HG12 VAL 22 -12.610 -10.510 -17.871 170 HG13 VAL 22 HG13 VAL 22 -12.712 -9.586 -19.370 171 HG21 VAL 22 HG21 VAL 22 -11.115 -12.463 -18.593 172 HG22 VAL 22 HG22 VAL 22 -10.097 -12.129 -19.991 173 HG23 VAL 22 HG23 VAL 22 -11.834 -11.850 -20.082 174 H CYS 23 HN CYS 23 -8.597 -8.454 -18.419 175 HA CYS 23 HA CYS 23 -9.978 -5.989 -17.926 176 HB2 CYS 23 HB2 CYS 23 -7.163 -6.960 -17.420 177 HB3 CYS 23 HB1 CYS 23 -7.706 -5.299 -17.024 178 H ASN 24 HN ASN 24 -7.337 -6.853 -20.154 179 HA ASN 24 HA ASN 24 -6.826 -4.185 -20.979 180 HB2 ASN 24 HB2 ASN 24 -5.292 -6.101 -21.389 181 HB3 ASN 24 HB1 ASN 24 -6.473 -6.782 -22.503 182 HD21 ASN 24 HD21 ASN 24 -5.325 -6.521 -24.474 183 HD22 ASN 24 HD22 ASN 24 -4.847 -5.007 -25.076 184 H GLY 25 HN GLY 25 -9.321 -6.475 -21.866 185 HA2 GLY 25 HA2 GLY 25 -10.074 -4.875 -24.165 186 HA3 GLY 25 HA1 GLY 25 -10.908 -6.331 -23.651 187 H CYS 26 HN CYS 26 -10.382 -4.363 -20.983 188 HA CYS 26 HA CYS 26 -13.168 -3.761 -20.838 189 HB2 CYS 26 HB2 CYS 26 -11.743 -4.419 -18.834 190 HB3 CYS 26 HB1 CYS 26 -10.954 -2.843 -18.994 191 H GLY 27 HN GLY 27 -10.296 -1.788 -21.598 192 HA2 GLY 27 HA2 GLY 27 -10.901 -0.065 -23.095 193 HA3 GLY 27 HA1 GLY 27 -12.120 0.489 -21.959 194 H ASP 28 HN ASP 28 -11.497 2.154 -20.683 195 HA ASP 28 HA ASP 28 -8.632 2.712 -20.389 196 HB2 ASP 28 HB2 ASP 28 -11.129 4.341 -19.857 197 HB3 ASP 28 HB1 ASP 28 -9.501 4.910 -19.481 198 H GLN 29 HN GLN 29 -10.582 0.769 -18.867 199 HA GLN 29 HA GLN 29 -9.946 1.641 -16.087 200 HB2 GLN 29 HB2 GLN 29 -11.703 -0.656 -16.935 201 HB3 GLN 29 HB1 GLN 29 -11.559 0.090 -15.342 202 HG2 GLN 29 HG2 GLN 29 -13.535 1.021 -16.242 203 HG3 GLN 29 HG1 GLN 29 -12.309 2.269 -16.469 204 HE21 GLN 29 HE21 GLN 29 -12.891 3.233 -18.448 205 HE22 GLN 29 HE22 GLN 29 -13.135 2.371 -19.890 206 H VAL 30 HN VAL 30 -8.350 0.133 -18.412 207 HA VAL 30 HA VAL 30 -7.665 -2.377 -17.705 208 HB VAL 30 HB VAL 30 -5.515 -0.341 -18.282 209 HG11 VAL 30 HG11 VAL 30 -4.676 -2.565 -17.938 210 HG12 VAL 30 HG12 VAL 30 -4.649 -2.250 -19.673 211 HG13 VAL 30 HG13 VAL 30 -5.922 -3.253 -18.980 212 HG21 VAL 30 HG21 VAL 30 -7.173 0.257 -19.841 213 HG22 VAL 30 HG22 VAL 30 -7.656 -1.421 -20.099 214 HG23 VAL 30 HG23 VAL 30 -6.110 -0.840 -20.721 215 H ALA 31 HN ALA 31 -6.198 0.543 -16.233 216 HA ALA 31 HA ALA 31 -4.587 -0.961 -14.492 217 HB1 ALA 31 HB1 ALA 31 -4.149 1.141 -13.361 218 HB2 ALA 31 HB2 ALA 31 -5.329 1.999 -14.356 219 HB3 ALA 31 HB3 ALA 31 -3.922 1.250 -15.098 220 H ALA 32 HN ALA 32 -7.772 0.537 -14.069 221 HA ALA 32 HA ALA 32 -7.992 0.010 -11.328 222 HB1 ALA 32 HB1 ALA 32 -10.506 0.062 -11.959 223 HB2 ALA 32 HB2 ALA 32 -9.947 0.404 -13.598 224 HB3 ALA 32 HB3 ALA 32 -9.617 1.549 -12.320 225 H CYS 33 HN CYS 33 -8.823 -1.794 -14.216 226 HA CYS 33 HA CYS 33 -10.087 -3.979 -12.932 227 HB2 CYS 33 HB2 CYS 33 -10.346 -3.454 -15.346 228 HB3 CYS 33 HB1 CYS 33 -8.708 -4.029 -15.586 229 H GLU 34 HN GLU 34 -6.748 -3.288 -13.779 230 HA GLU 34 HA GLU 34 -5.823 -5.901 -13.112 231 HB2 GLU 34 HB2 GLU 34 -4.514 -3.302 -13.885 232 HB3 GLU 34 HB1 GLU 34 -3.535 -4.607 -13.272 233 HG2 GLU 34 HG2 GLU 34 -4.301 -6.066 -15.048 234 HG3 GLU 34 HG1 GLU 34 -5.486 -4.888 -15.583 235 H ALA 35 HN ALA 35 -6.534 -3.019 -11.324 236 HA ALA 35 HA ALA 35 -4.689 -2.796 -9.407 237 HB1 ALA 35 HB1 ALA 35 -6.794 -1.383 -9.445 238 HB2 ALA 35 HB2 ALA 35 -6.596 -2.169 -7.902 239 HB3 ALA 35 HB3 ALA 35 -7.678 -2.873 -9.073 240 H GLU 36 HN GLU 36 -7.512 -4.884 -8.996 241 HA GLU 36 HA GLU 36 -6.063 -6.194 -6.792 242 HB2 GLU 36 HB2 GLU 36 -8.989 -6.265 -7.517 243 HB3 GLU 36 HB1 GLU 36 -8.267 -7.058 -6.116 244 HG2 GLU 36 HG2 GLU 36 -8.101 -4.083 -6.662 245 HG3 GLU 36 HG1 GLU 36 -9.277 -4.825 -5.581 246 H CYS 37 HN CYS 37 -5.154 -6.942 -9.351 247 HA CYS 37 HA CYS 37 -4.850 -8.723 -10.694 248 HB2 CYS 37 HB2 CYS 37 -4.863 -9.664 -7.975 249 HB3 CYS 37 HB1 CYS 37 -5.677 -10.877 -8.943 250 H PHE 38 HN PHE 38 -7.242 -7.493 -11.103 251 HA PHE 38 HA PHE 38 -9.146 -7.829 -12.231 252 HB2 PHE 38 HB2 PHE 38 -8.952 -10.808 -12.469 253 HB3 PHE 38 HB1 PHE 38 -9.193 -9.534 -13.696 254 HD1 PHE 38 HD1 PHE 38 -7.011 -7.893 -13.834 255 HD2 PHE 38 HD2 PHE 38 -6.986 -12.001 -12.600 256 HE1 PHE 38 HE1 PHE 38 -4.621 -8.075 -14.408 257 HE2 PHE 38 HE2 PHE 38 -4.593 -12.158 -13.177 258 HZ PHE 38 HZ PHE 38 -3.411 -10.186 -14.086 259 H ARG 39 HN ARG 39 -8.720 -8.531 -9.224 260 HA ARG 39 HA ARG 39 -11.297 -9.877 -8.766 261 HB2 ARG 39 HB2 ARG 39 -9.055 -10.539 -7.552 262 HB3 ARG 39 HB1 ARG 39 -9.311 -9.056 -6.639 263 HG2 ARG 39 HG2 ARG 39 -10.459 -10.533 -5.273 264 HG3 ARG 39 HG1 ARG 39 -11.769 -10.043 -6.345 265 HD2 ARG 39 HD2 ARG 39 -11.285 -12.006 -7.791 266 HD3 ARG 39 HD1 ARG 39 -10.038 -12.510 -6.654 267 HE ARG 39 HE ARG 39 -12.365 -12.203 -5.170 268 HH11 ARG 39 HH11 ARG 39 -13.689 -13.987 -4.725 269 HH12 ARG 39 HH12 ARG 39 -13.629 -15.383 -5.749 270 HH21 ARG 39 HH21 ARG 39 -11.220 -14.053 -7.861 271 HH22 ARG 39 HH22 ARG 39 -12.231 -15.421 -7.525 272 H ASN 40 HN ASN 40 -12.331 -7.983 -9.628 273 HA ASN 40 HA ASN 40 -13.147 -6.223 -7.450 274 HB2 ASN 40 HB2 ASN 40 -12.523 -4.123 -8.478 275 HB3 ASN 40 HB1 ASN 40 -11.092 -5.168 -8.369 276 HD21 ASN 40 HD21 ASN 40 -10.971 -3.154 -10.230 277 HD22 ASN 40 HD22 ASN 40 -11.190 -3.773 -11.789 278 H ASP 41 HN ASP 41 -14.886 -4.626 -8.235 279 HA ASP 41 HA ASP 41 -16.775 -6.152 -9.605 280 HB2 ASP 41 HB2 ASP 41 -16.825 -3.165 -8.961 281 HB3 ASP 41 HB1 ASP 41 -18.247 -4.140 -9.317 282 H VAL 42 HN VAL 42 -14.553 -3.647 -10.660 283 HA VAL 42 HA VAL 42 -15.786 -3.118 -13.160 284 HB VAL 42 HB VAL 42 -12.940 -2.905 -12.142 285 HG11 VAL 42 HG11 VAL 42 -12.624 -1.504 -14.254 286 HG12 VAL 42 HG12 VAL 42 -14.054 -2.321 -14.870 287 HG13 VAL 42 HG13 VAL 42 -12.617 -3.249 -14.439 288 HG21 VAL 42 HG21 VAL 42 -15.102 -0.891 -12.768 289 HG22 VAL 42 HG22 VAL 42 -13.422 -0.446 -12.423 290 HG23 VAL 42 HG23 VAL 42 -14.408 -1.254 -11.185 291 H TYR 43 HN TYR 43 -13.372 -5.496 -12.150 292 HA TYR 43 HA TYR 43 -12.865 -6.652 -14.629 293 HB2 TYR 43 HB2 TYR 43 -11.556 -7.350 -12.710 294 HB3 TYR 43 HB1 TYR 43 -13.005 -7.868 -11.850 295 HD1 TYR 43 HD1 TYR 43 -13.692 -10.102 -11.978 296 HD2 TYR 43 HD2 TYR 43 -11.094 -8.513 -15.004 297 HE1 TYR 43 HE1 TYR 43 -13.487 -12.358 -12.982 298 HE2 TYR 43 HE2 TYR 43 -10.886 -10.771 -16.000 299 HH TYR 43 HH TYR 43 -12.820 -13.480 -14.849 300 H THR 44 HN THR 44 -15.351 -7.475 -12.220 301 HA THR 44 HA THR 44 -16.593 -9.486 -13.694 302 HB THR 44 HB THR 44 -17.780 -7.587 -11.674 303 HG1 THR 44 HG1 THR 44 -17.265 -9.138 -10.290 304 HG21 THR 44 HG21 THR 44 -18.934 -10.038 -13.037 305 HG22 THR 44 HG22 THR 44 -19.631 -8.420 -12.967 306 HG23 THR 44 HG23 THR 44 -19.554 -9.410 -11.510 307 H ALA 45 HN ALA 45 -17.344 -6.019 -13.597 308 HA ALA 45 HA ALA 45 -19.504 -5.903 -15.354 309 HB1 ALA 45 HB1 ALA 45 -17.234 -4.010 -14.801 310 HB2 ALA 45 HB2 ALA 45 -18.781 -3.990 -13.950 311 HB3 ALA 45 HB3 ALA 45 -18.698 -3.416 -15.553 312 H CYS 46 HN CYS 46 -15.976 -5.623 -15.943 313 HA CYS 46 HA CYS 46 -16.255 -5.260 -18.753 314 HB2 CYS 46 HB2 CYS 46 -13.791 -6.219 -17.252 315 HB3 CYS 46 HB1 CYS 46 -13.843 -5.481 -18.872 316 H HIS 47 HN HIS 47 -15.567 -8.084 -16.740 317 HA HIS 47 HA HIS 47 -15.165 -9.868 -18.875 318 HB2 HIS 47 HB2 HIS 47 -14.466 -10.261 -16.490 319 HB3 HIS 47 HB1 HIS 47 -16.161 -10.525 -16.090 320 HD1 HIS 47 HD1 HIS 47 -16.421 -12.996 -15.810 321 HD2 HIS 47 HD2 HIS 47 -14.121 -12.054 -19.158 322 HE1 HIS 47 HE1 HIS 47 -15.939 -15.186 -16.987 323 H GLU 48 HN GLU 48 -18.029 -9.034 -16.976 324 HA GLU 48 HA GLU 48 -19.766 -10.910 -18.227 325 HB2 GLU 48 HB2 GLU 48 -20.427 -8.343 -16.774 326 HB3 GLU 48 HB1 GLU 48 -21.553 -9.609 -17.188 327 HG2 GLU 48 HG2 GLU 48 -19.093 -10.305 -15.593 328 HG3 GLU 48 HG1 GLU 48 -20.518 -9.651 -14.790 329 H ALA 49 HN ALA 49 -18.648 -7.725 -19.048 330 HA ALA 49 HA ALA 49 -20.729 -7.154 -20.904 331 HB1 ALA 49 HB1 ALA 49 -19.203 -5.288 -21.614 332 HB2 ALA 49 HB2 ALA 49 -17.998 -5.919 -20.492 333 HB3 ALA 49 HB3 ALA 49 -19.544 -5.325 -19.884 334 H GLN 50 HN GLN 50 -17.762 -8.961 -21.011 335 HA GLN 50 HA GLN 50 -17.651 -8.848 -23.943 336 HB2 GLN 50 HB2 GLN 50 -15.824 -10.077 -21.843 337 HB3 GLN 50 HB1 GLN 50 -15.539 -10.214 -23.580 338 HG2 GLN 50 HG2 GLN 50 -15.799 -7.588 -22.095 339 HG3 GLN 50 HG1 GLN 50 -14.260 -8.350 -22.491 340 HE21 GLN 50 HE21 GLN 50 -16.015 -5.869 -23.551 341 HE22 GLN 50 HE22 GLN 50 -15.785 -5.995 -25.228 342 H LYS 51 HN LYS 51 -18.260 -10.422 -25.238 343 HA LYS 51 HA LYS 51 -19.948 -12.495 -24.255 344 HB2 LYS 51 HB2 LYS 51 -18.694 -12.032 -26.971 345 HB3 LYS 51 HB1 LYS 51 -19.864 -13.309 -26.632 346 HG2 LYS 51 HG2 LYS 51 -21.504 -11.626 -25.898 347 HG3 LYS 51 HG1 LYS 51 -20.339 -10.342 -26.223 348 HD2 LYS 51 HD2 LYS 51 -20.279 -10.984 -28.600 349 HD3 LYS 51 HD1 LYS 51 -21.429 -12.282 -28.284 350 HE2 LYS 51 HE2 LYS 51 -23.093 -10.621 -27.525 351 HE3 LYS 51 HE1 LYS 51 -21.945 -9.324 -27.857 352 HZ1 LYS 51 HZ1 LYS 51 -22.020 -9.748 -30.138 353 HZ2 LYS 51 HZ2 LYS 51 -23.643 -9.852 -29.643 354 HZ3 LYS 51 HZ3 LYS 51 -22.747 -11.266 -29.937 Start of MODEL 20 1 H1 SER 1 HT1 SER 1 9.242 -4.291 -12.225 2 HA SER 1 HA SER 1 9.095 -5.668 -9.865 3 HB2 SER 1 HB2 SER 1 10.320 -3.859 -9.039 4 HB3 SER 1 HB1 SER 1 10.574 -3.691 -10.775 5 HG SER 1 HG SER 1 8.578 -2.326 -10.639 6 H GLU 2 HN GLU 2 6.442 -4.519 -11.217 7 HA GLU 2 HA GLU 2 5.274 -3.139 -8.937 8 HB2 GLU 2 HB2 GLU 2 4.289 -3.926 -11.672 9 HB3 GLU 2 HB1 GLU 2 3.183 -3.304 -10.450 10 HG2 GLU 2 HG2 GLU 2 4.305 -1.227 -10.325 11 HG3 GLU 2 HG1 GLU 2 5.722 -1.846 -11.168 12 HA PRO 3 HA PRO 3 3.279 -6.534 -6.745 13 HB2 PRO 3 HB2 PRO 3 0.826 -4.903 -7.515 14 HB3 PRO 3 HB1 PRO 3 1.209 -5.898 -6.048 15 HG2 PRO 3 HG2 PRO 3 1.560 -3.289 -6.042 16 HG3 PRO 3 HG1 PRO 3 2.868 -4.330 -5.417 17 HD2 PRO 3 HD2 PRO 3 2.699 -2.943 -8.110 18 HD3 PRO 3 HD1 PRO 3 4.110 -3.171 -7.041 19 H ASP 4 HN ASP 4 3.114 -6.158 -10.083 20 HA ASP 4 HA ASP 4 1.180 -8.283 -10.549 21 HB2 ASP 4 HB2 ASP 4 2.497 -6.091 -12.122 22 HB3 ASP 4 HB1 ASP 4 2.249 -7.600 -13.013 23 H GLU 5 HN GLU 5 4.019 -8.394 -9.369 24 HA GLU 5 HA GLU 5 4.961 -10.689 -11.030 25 HB2 GLU 5 HB2 GLU 5 6.431 -9.204 -8.834 26 HB3 GLU 5 HB1 GLU 5 7.075 -10.465 -9.877 27 HG2 GLU 5 HG2 GLU 5 6.664 -9.061 -11.861 28 HG3 GLU 5 HG1 GLU 5 6.071 -7.775 -10.814 29 H ILE 6 HN ILE 6 4.420 -9.662 -7.646 30 HA ILE 6 HA ILE 6 4.583 -12.290 -6.604 31 HB ILE 6 HB ILE 6 3.037 -9.966 -5.421 32 HG12 ILE 6 HG12 ILE 6 5.276 -9.204 -5.977 33 HG13 ILE 6 HG11 ILE 6 5.199 -9.481 -4.241 34 HG21 ILE 6 HG21 ILE 6 4.362 -12.428 -4.241 35 HG22 ILE 6 HG22 ILE 6 2.635 -12.074 -4.267 36 HG23 ILE 6 HG23 ILE 6 3.722 -11.095 -3.282 37 HD11 ILE 6 HD11 ILE 6 7.224 -10.507 -4.829 38 HD12 ILE 6 HD12 ILE 6 6.589 -11.116 -6.355 39 HD13 ILE 6 HD13 ILE 6 6.110 -11.869 -4.836 40 H CYS 7 HN CYS 7 1.900 -10.317 -7.699 41 HA CYS 7 HA CYS 7 -0.218 -12.011 -6.932 42 HB2 CYS 7 HB2 CYS 7 -0.112 -9.605 -8.193 43 HB3 CYS 7 HB1 CYS 7 -0.548 -10.634 -9.548 44 H ARG 8 HN ARG 8 1.772 -12.054 -9.754 45 HA ARG 8 HA ARG 8 0.414 -14.113 -11.162 46 HB2 ARG 8 HB2 ARG 8 2.024 -12.612 -12.258 47 HB3 ARG 8 HB1 ARG 8 3.337 -13.415 -11.391 48 HG2 ARG 8 HG2 ARG 8 2.694 -15.577 -12.417 49 HG3 ARG 8 HG1 ARG 8 1.381 -14.772 -13.278 50 HD2 ARG 8 HD2 ARG 8 4.301 -14.039 -13.545 51 HD3 ARG 8 HD1 ARG 8 3.435 -15.087 -14.666 52 HE ARG 8 HE ARG 8 1.970 -12.714 -14.443 53 HH11 ARG 8 HH11 ARG 8 2.210 -11.092 -16.016 54 HH12 ARG 8 HH12 ARG 8 3.639 -11.045 -16.993 55 HH21 ARG 8 HH21 ARG 8 5.072 -13.823 -15.493 56 HH22 ARG 8 HH22 ARG 8 5.261 -12.591 -16.696 57 H ALA 9 HN ALA 9 2.990 -14.170 -8.793 58 HA ALA 9 HA ALA 9 3.773 -16.814 -9.023 59 HB1 ALA 9 HB1 ALA 9 3.647 -15.339 -6.390 60 HB2 ALA 9 HB2 ALA 9 4.862 -14.945 -7.688 61 HB3 ALA 9 HB3 ALA 9 4.903 -16.398 -6.901 62 H ARG 10 HN ARG 10 0.759 -15.591 -7.884 63 HA ARG 10 HA ARG 10 0.231 -17.949 -6.208 64 HB2 ARG 10 HB2 ARG 10 -1.587 -15.569 -6.589 65 HB3 ARG 10 HB1 ARG 10 -1.497 -16.665 -5.212 66 HG2 ARG 10 HG2 ARG 10 0.863 -15.805 -4.823 67 HG3 ARG 10 HG1 ARG 10 0.512 -14.570 -6.028 68 HD2 ARG 10 HD2 ARG 10 -1.166 -15.023 -3.558 69 HD3 ARG 10 HD1 ARG 10 0.111 -13.816 -3.669 70 HE ARG 10 HE ARG 10 -1.598 -13.385 -5.834 71 HH11 ARG 10 HH11 ARG 10 -3.228 -11.805 -5.705 72 HH12 ARG 10 HH12 ARG 10 -3.804 -11.289 -4.155 73 HH21 ARG 10 HH21 ARG 10 -1.691 -13.382 -2.373 74 HH22 ARG 10 HH22 ARG 10 -2.935 -12.181 -2.270 75 H MET 11 HN MET 11 -0.280 -16.752 -9.338 76 HA MET 11 HA MET 11 -2.538 -18.608 -9.733 77 HB2 MET 11 HB2 MET 11 -3.226 -17.033 -11.636 78 HB3 MET 11 HB1 MET 11 -3.521 -16.496 -9.983 79 HG2 MET 11 HG2 MET 11 -1.172 -15.382 -10.181 80 HG3 MET 11 HG1 MET 11 -1.397 -15.572 -11.908 81 HE1 MET 11 HE1 MET 11 -4.857 -13.838 -12.402 82 HE2 MET 11 HE2 MET 11 -4.878 -15.322 -11.465 83 HE3 MET 11 HE3 MET 11 -3.814 -15.185 -12.858 84 H THR 12 HN THR 12 -2.691 -19.541 -11.882 85 HA THR 12 HA THR 12 -0.120 -20.358 -12.911 86 HB THR 12 HB THR 12 -1.423 -21.638 -14.544 87 HG1 THR 12 HG1 THR 12 -3.269 -19.765 -13.874 88 HG21 THR 12 HG21 THR 12 -2.841 -22.905 -12.866 89 HG22 THR 12 HG22 THR 12 -2.420 -21.657 -11.692 90 HG23 THR 12 HG23 THR 12 -1.158 -22.667 -12.397 91 H HIS 13 HN HIS 13 0.529 -20.104 -15.182 92 HA HIS 13 HA HIS 13 0.451 -17.372 -16.040 93 HB2 HIS 13 HB2 HIS 13 2.308 -19.075 -16.510 94 HB3 HIS 13 HB1 HIS 13 1.231 -19.765 -17.724 95 HD1 HIS 13 HD1 HIS 13 2.365 -16.223 -16.831 96 HD2 HIS 13 HD2 HIS 13 1.776 -18.638 -20.177 97 HE1 HIS 13 HE1 HIS 13 3.000 -14.824 -18.844 98 H LYS 14 HN LYS 14 -1.231 -20.296 -17.217 99 HA LYS 14 HA LYS 14 -2.463 -19.055 -19.394 100 HB2 LYS 14 HB2 LYS 14 -4.030 -20.919 -19.330 101 HB3 LYS 14 HB1 LYS 14 -2.429 -21.523 -18.909 102 HG2 LYS 14 HG2 LYS 14 -3.078 -21.122 -16.461 103 HG3 LYS 14 HG1 LYS 14 -4.726 -20.905 -17.041 104 HD2 LYS 14 HD2 LYS 14 -4.738 -23.177 -16.533 105 HD3 LYS 14 HD1 LYS 14 -4.312 -23.222 -18.240 106 HE2 LYS 14 HE2 LYS 14 -1.930 -23.419 -17.662 107 HE3 LYS 14 HE1 LYS 14 -2.320 -23.286 -15.948 108 HZ1 LYS 14 HZ1 LYS 14 -2.121 -25.602 -17.290 109 HZ2 LYS 14 HZ2 LYS 14 -3.795 -25.324 -17.365 110 HZ3 LYS 14 HZ3 LYS 14 -3.010 -25.399 -15.860 111 H GLU 15 HN GLU 15 -3.469 -19.264 -16.016 112 HA GLU 15 HA GLU 15 -6.005 -18.044 -16.415 113 HB2 GLU 15 HB2 GLU 15 -5.395 -19.418 -14.432 114 HB3 GLU 15 HB1 GLU 15 -4.334 -18.118 -13.897 115 HG2 GLU 15 HG2 GLU 15 -6.221 -16.574 -13.777 116 HG3 GLU 15 HG1 GLU 15 -7.306 -17.813 -14.402 117 H PHE 16 HN PHE 16 -2.864 -16.825 -15.356 118 HA PHE 16 HA PHE 16 -3.634 -14.147 -14.896 119 HB2 PHE 16 HB2 PHE 16 -1.462 -15.072 -14.154 120 HB3 PHE 16 HB1 PHE 16 -0.949 -15.177 -15.842 121 HD1 PHE 16 HD1 PHE 16 -2.099 -12.785 -13.212 122 HD2 PHE 16 HD2 PHE 16 -0.074 -13.281 -16.967 123 HE1 PHE 16 HE1 PHE 16 -1.379 -10.413 -13.136 124 HE2 PHE 16 HE2 PHE 16 0.641 -10.907 -16.894 125 HZ PHE 16 HZ PHE 16 -0.008 -9.474 -14.978 126 H ASN 17 HN ASN 17 -2.379 -15.694 -17.870 127 HA ASN 17 HA ASN 17 -2.413 -13.316 -19.439 128 HB2 ASN 17 HB2 ASN 17 -2.595 -16.256 -20.143 129 HB3 ASN 17 HB1 ASN 17 -2.488 -14.968 -21.346 130 HD21 ASN 17 HD21 ASN 17 -0.437 -16.938 -21.127 131 HD22 ASN 17 HD22 ASN 17 0.970 -16.185 -20.553 132 H TYR 18 HN TYR 18 -4.866 -15.806 -18.841 133 HA TYR 18 HA TYR 18 -6.732 -14.925 -20.724 134 HB2 TYR 18 HB2 TYR 18 -6.988 -17.056 -19.734 135 HB3 TYR 18 HB1 TYR 18 -7.102 -16.362 -18.096 136 HD1 TYR 18 HD1 TYR 18 -9.114 -15.029 -17.472 137 HD2 TYR 18 HD2 TYR 18 -8.861 -17.085 -21.228 138 HE1 TYR 18 HE1 TYR 18 -11.557 -14.767 -17.771 139 HE2 TYR 18 HE2 TYR 18 -11.311 -16.826 -21.531 140 HH TYR 18 HH TYR 18 -13.107 -14.813 -20.315 141 H LYS 19 HN LYS 19 -6.545 -14.219 -17.291 142 HA LYS 19 HA LYS 19 -8.725 -12.423 -17.203 143 HB2 LYS 19 HB2 LYS 19 -6.317 -12.533 -15.367 144 HB3 LYS 19 HB1 LYS 19 -7.884 -11.796 -15.028 145 HG2 LYS 19 HG2 LYS 19 -7.671 -14.723 -15.702 146 HG3 LYS 19 HG1 LYS 19 -7.436 -14.155 -14.060 147 HD2 LYS 19 HD2 LYS 19 -9.667 -13.097 -14.104 148 HD3 LYS 19 HD1 LYS 19 -9.915 -13.679 -15.744 149 HE2 LYS 19 HE2 LYS 19 -9.682 -16.008 -14.963 150 HE3 LYS 19 HE1 LYS 19 -9.454 -15.423 -13.314 151 HZ1 LYS 19 HZ1 LYS 19 -11.738 -16.027 -13.636 152 HZ2 LYS 19 HZ2 LYS 19 -11.857 -15.035 -15.011 153 HZ3 LYS 19 HZ3 LYS 19 -11.637 -14.342 -13.475 154 H SER 20 HN SER 20 -5.275 -11.972 -17.725 155 HA SER 20 HA SER 20 -5.297 -9.157 -17.563 156 HB2 SER 20 HB2 SER 20 -3.501 -10.967 -19.221 157 HB3 SER 20 HB1 SER 20 -3.189 -9.267 -18.875 158 HG SER 20 HG SER 20 -2.117 -10.736 -17.437 159 H ASN 21 HN ASN 21 -5.883 -11.289 -20.253 160 HA ASN 21 HA ASN 21 -6.239 -9.292 -22.261 161 HB2 ASN 21 HB2 ASN 21 -5.914 -11.676 -22.806 162 HB3 ASN 21 HB1 ASN 21 -7.455 -12.056 -22.028 163 HD21 ASN 21 HD21 ASN 21 -5.980 -10.647 -24.907 164 HD22 ASN 21 HD22 ASN 21 -7.429 -10.434 -25.765 165 H VAL 22 HN VAL 22 -8.414 -10.685 -19.871 166 HA VAL 22 HA VAL 22 -10.826 -9.594 -20.902 167 HB VAL 22 HB VAL 22 -10.062 -10.348 -18.082 168 HG11 VAL 22 HG11 VAL 22 -12.614 -10.509 -17.886 169 HG12 VAL 22 HG12 VAL 22 -12.683 -9.535 -19.352 170 HG13 VAL 22 HG13 VAL 22 -11.935 -8.883 -17.894 171 HG21 VAL 22 HG21 VAL 22 -11.090 -12.442 -18.573 172 HG22 VAL 22 HG22 VAL 22 -10.062 -12.096 -19.960 173 HG23 VAL 22 HG23 VAL 22 -11.796 -11.825 -20.068 174 H CYS 23 HN CYS 23 -8.571 -8.435 -18.384 175 HA CYS 23 HA CYS 23 -9.944 -5.965 -17.895 176 HB2 CYS 23 HB2 CYS 23 -7.129 -6.946 -17.352 177 HB3 CYS 23 HB1 CYS 23 -7.671 -5.276 -16.982 178 H ASN 24 HN ASN 24 -7.281 -6.846 -20.110 179 HA ASN 24 HA ASN 24 -6.790 -4.167 -20.912 180 HB2 ASN 24 HB2 ASN 24 -6.348 -6.827 -22.286 181 HB3 ASN 24 HB1 ASN 24 -5.790 -5.283 -22.935 182 HD21 ASN 24 HD21 ASN 24 -3.982 -7.386 -22.166 183 HD22 ASN 24 HD22 ASN 24 -3.076 -6.839 -20.840 184 H GLY 25 HN GLY 25 -9.285 -6.501 -21.833 185 HA2 GLY 25 HA2 GLY 25 -10.013 -4.831 -24.098 186 HA3 GLY 25 HA1 GLY 25 -10.856 -6.304 -23.637 187 H CYS 26 HN CYS 26 -10.315 -4.351 -20.943 188 HA CYS 26 HA CYS 26 -13.116 -3.756 -20.839 189 HB2 CYS 26 HB2 CYS 26 -11.777 -4.452 -18.796 190 HB3 CYS 26 HB1 CYS 26 -10.993 -2.866 -18.872 191 H GLY 27 HN GLY 27 -10.273 -1.771 -21.707 192 HA2 GLY 27 HA2 GLY 27 -10.947 0.018 -23.064 193 HA3 GLY 27 HA1 GLY 27 -12.127 0.535 -21.888 194 H ASP 28 HN ASP 28 -11.487 2.199 -20.607 195 HA ASP 28 HA ASP 28 -8.600 2.734 -20.336 196 HB2 ASP 28 HB2 ASP 28 -9.399 4.963 -19.501 197 HB3 ASP 28 HB1 ASP 28 -9.983 4.587 -21.121 198 H GLN 29 HN GLN 29 -10.545 0.793 -18.821 199 HA GLN 29 HA GLN 29 -9.906 1.659 -16.038 200 HB2 GLN 29 HB2 GLN 29 -11.685 -0.638 -16.860 201 HB3 GLN 29 HB1 GLN 29 -11.514 0.117 -15.274 202 HG2 GLN 29 HG2 GLN 29 -13.482 1.088 -16.086 203 HG3 GLN 29 HG1 GLN 29 -12.257 2.301 -16.463 204 HE21 GLN 29 HE21 GLN 29 -14.393 2.567 -18.066 205 HE22 GLN 29 HE22 GLN 29 -14.144 1.881 -19.599 206 H VAL 30 HN VAL 30 -8.319 0.164 -18.362 207 HA VAL 30 HA VAL 30 -7.638 -2.329 -17.655 208 HB VAL 30 HB VAL 30 -5.480 -0.296 -18.245 209 HG11 VAL 30 HG11 VAL 30 -4.690 -2.548 -17.853 210 HG12 VAL 30 HG12 VAL 30 -4.578 -2.204 -19.577 211 HG13 VAL 30 HG13 VAL 30 -5.889 -3.211 -18.963 212 HG21 VAL 30 HG21 VAL 30 -7.187 0.266 -19.787 213 HG22 VAL 30 HG22 VAL 30 -7.604 -1.427 -20.061 214 HG23 VAL 30 HG23 VAL 30 -6.078 -0.783 -20.668 215 H ALA 31 HN ALA 31 -6.199 0.614 -16.169 216 HA ALA 31 HA ALA 31 -4.576 -0.923 -14.456 217 HB1 ALA 31 HB1 ALA 31 -5.296 1.989 -14.010 218 HB2 ALA 31 HB2 ALA 31 -4.069 1.428 -15.119 219 HB3 ALA 31 HB3 ALA 31 -3.934 1.061 -13.395 220 H ALA 32 HN ALA 32 -7.779 0.569 -13.989 221 HA ALA 32 HA ALA 32 -8.001 0.009 -11.238 222 HB1 ALA 32 HB1 ALA 32 -9.915 0.457 -13.522 223 HB2 ALA 32 HB2 ALA 32 -9.657 1.515 -12.157 224 HB3 ALA 32 HB3 ALA 32 -10.532 -0.014 -11.950 225 H CYS 33 HN CYS 33 -8.788 -1.757 -14.132 226 HA CYS 33 HA CYS 33 -10.065 -3.952 -12.896 227 HB2 CYS 33 HB2 CYS 33 -10.315 -3.365 -15.314 228 HB3 CYS 33 HB1 CYS 33 -8.675 -3.938 -15.562 229 H GLU 34 HN GLU 34 -6.728 -3.232 -13.754 230 HA GLU 34 HA GLU 34 -5.760 -5.836 -13.121 231 HB2 GLU 34 HB2 GLU 34 -4.524 -3.200 -13.885 232 HB3 GLU 34 HB1 GLU 34 -3.493 -4.465 -13.269 233 HG2 GLU 34 HG2 GLU 34 -4.038 -5.907 -15.067 234 HG3 GLU 34 HG1 GLU 34 -5.452 -4.972 -15.527 235 H ALA 35 HN ALA 35 -6.501 -2.988 -11.267 236 HA ALA 35 HA ALA 35 -4.664 -2.738 -9.326 237 HB1 ALA 35 HB1 ALA 35 -6.515 -2.028 -7.889 238 HB2 ALA 35 HB2 ALA 35 -7.620 -2.933 -8.887 239 HB3 ALA 35 HB3 ALA 35 -6.862 -1.443 -9.491 240 H GLU 36 HN GLU 36 -7.425 -4.883 -9.031 241 HA GLU 36 HA GLU 36 -6.012 -6.158 -6.776 242 HB2 GLU 36 HB2 GLU 36 -8.939 -6.214 -7.490 243 HB3 GLU 36 HB1 GLU 36 -8.214 -7.076 -6.133 244 HG2 GLU 36 HG2 GLU 36 -7.371 -4.925 -5.234 245 HG3 GLU 36 HG1 GLU 36 -8.162 -4.080 -6.562 246 H CYS 37 HN CYS 37 -5.090 -6.896 -9.353 247 HA CYS 37 HA CYS 37 -4.781 -8.695 -10.695 248 HB2 CYS 37 HB2 CYS 37 -4.743 -9.608 -7.966 249 HB3 CYS 37 HB1 CYS 37 -5.587 -10.831 -8.891 250 H PHE 38 HN PHE 38 -7.170 -7.469 -11.081 251 HA PHE 38 HA PHE 38 -9.059 -7.786 -12.223 252 HB2 PHE 38 HB2 PHE 38 -8.788 -10.782 -12.432 253 HB3 PHE 38 HB1 PHE 38 -9.147 -9.545 -13.663 254 HD1 PHE 38 HD1 PHE 38 -6.812 -11.951 -12.908 255 HD2 PHE 38 HD2 PHE 38 -7.024 -7.734 -13.654 256 HE1 PHE 38 HE1 PHE 38 -4.431 -11.943 -13.630 257 HE2 PHE 38 HE2 PHE 38 -4.676 -7.763 -14.372 258 HZ PHE 38 HZ PHE 38 -3.370 -9.839 -14.365 259 H ARG 39 HN ARG 39 -8.652 -8.551 -9.197 260 HA ARG 39 HA ARG 39 -11.255 -9.859 -8.763 261 HB2 ARG 39 HB2 ARG 39 -9.092 -10.607 -7.567 262 HB3 ARG 39 HB1 ARG 39 -9.207 -9.101 -6.664 263 HG2 ARG 39 HG2 ARG 39 -11.465 -9.719 -5.909 264 HG3 ARG 39 HG1 ARG 39 -11.335 -11.240 -6.792 265 HD2 ARG 39 HD2 ARG 39 -9.283 -11.771 -5.435 266 HD3 ARG 39 HD1 ARG 39 -9.611 -10.331 -4.474 267 HE ARG 39 HE ARG 39 -11.869 -12.114 -4.647 268 HH11 ARG 39 HH11 ARG 39 -12.453 -13.155 -2.723 269 HH12 ARG 39 HH12 ARG 39 -11.351 -13.178 -1.387 270 HH21 ARG 39 HH21 ARG 39 -8.895 -11.375 -3.045 271 HH22 ARG 39 HH22 ARG 39 -9.335 -12.170 -1.569 272 H ASN 40 HN ASN 40 -12.270 -7.960 -9.624 273 HA ASN 40 HA ASN 40 -13.039 -6.181 -7.452 274 HB2 ASN 40 HB2 ASN 40 -12.462 -4.102 -8.782 275 HB3 ASN 40 HB1 ASN 40 -11.084 -5.050 -8.201 276 HD21 ASN 40 HD21 ASN 40 -9.577 -4.591 -9.831 277 HD22 ASN 40 HD22 ASN 40 -9.816 -4.987 -11.463 278 H ASP 41 HN ASP 41 -14.784 -4.613 -8.188 279 HA ASP 41 HA ASP 41 -16.665 -6.154 -9.522 280 HB2 ASP 41 HB2 ASP 41 -16.730 -3.188 -8.767 281 HB3 ASP 41 HB1 ASP 41 -18.141 -4.093 -9.271 282 H VAL 42 HN VAL 42 -14.423 -3.673 -10.625 283 HA VAL 42 HA VAL 42 -15.752 -3.137 -13.090 284 HB VAL 42 HB VAL 42 -12.868 -2.908 -12.170 285 HG11 VAL 42 HG11 VAL 42 -12.639 -3.273 -14.491 286 HG12 VAL 42 HG12 VAL 42 -12.613 -1.531 -14.297 287 HG13 VAL 42 HG13 VAL 42 -14.074 -2.320 -14.869 288 HG21 VAL 42 HG21 VAL 42 -14.349 -1.256 -11.195 289 HG22 VAL 42 HG22 VAL 42 -15.034 -0.877 -12.778 290 HG23 VAL 42 HG23 VAL 42 -13.347 -0.465 -12.425 291 H TYR 43 HN TYR 43 -13.320 -5.499 -12.165 292 HA TYR 43 HA TYR 43 -12.809 -6.652 -14.628 293 HB2 TYR 43 HB2 TYR 43 -11.518 -7.365 -12.712 294 HB3 TYR 43 HB1 TYR 43 -12.968 -7.864 -11.849 295 HD1 TYR 43 HD1 TYR 43 -13.714 -10.103 -11.990 296 HD2 TYR 43 HD2 TYR 43 -11.014 -8.573 -14.961 297 HE1 TYR 43 HE1 TYR 43 -13.532 -12.367 -12.990 298 HE2 TYR 43 HE2 TYR 43 -10.831 -10.836 -15.951 299 HH TYR 43 HH TYR 43 -12.937 -13.246 -15.435 300 H THR 44 HN THR 44 -15.258 -7.573 -12.248 301 HA THR 44 HA THR 44 -16.380 -9.604 -13.784 302 HB THR 44 HB THR 44 -17.160 -9.632 -11.636 303 HG1 THR 44 HG1 THR 44 -19.422 -9.064 -11.787 304 HG21 THR 44 HG21 THR 44 -16.574 -7.214 -11.260 305 HG22 THR 44 HG22 THR 44 -17.960 -7.823 -10.373 306 HG23 THR 44 HG23 THR 44 -18.202 -6.847 -11.818 307 H ALA 45 HN ALA 45 -17.313 -6.225 -13.629 308 HA ALA 45 HA ALA 45 -19.487 -6.038 -15.382 309 HB1 ALA 45 HB1 ALA 45 -18.911 -3.622 -15.188 310 HB2 ALA 45 HB2 ALA 45 -17.260 -4.045 -15.019 311 HB3 ALA 45 HB3 ALA 45 -18.396 -4.436 -13.729 312 H CYS 46 HN CYS 46 -15.967 -5.717 -15.959 313 HA CYS 46 HA CYS 46 -16.224 -5.304 -18.761 314 HB2 CYS 46 HB2 CYS 46 -13.731 -6.226 -17.249 315 HB3 CYS 46 HB1 CYS 46 -13.815 -5.465 -18.856 316 H HIS 47 HN HIS 47 -15.543 -8.143 -16.762 317 HA HIS 47 HA HIS 47 -15.154 -9.913 -18.918 318 HB2 HIS 47 HB2 HIS 47 -14.465 -10.337 -16.540 319 HB3 HIS 47 HB1 HIS 47 -16.159 -10.572 -16.133 320 HD1 HIS 47 HD1 HIS 47 -15.039 -11.784 -19.457 321 HD2 HIS 47 HD2 HIS 47 -15.567 -13.374 -15.640 322 HE1 HIS 47 HE1 HIS 47 -14.971 -14.302 -19.715 323 H GLU 48 HN GLU 48 -18.023 -9.078 -17.023 324 HA GLU 48 HA GLU 48 -19.773 -10.935 -18.270 325 HB2 GLU 48 HB2 GLU 48 -20.412 -8.356 -16.835 326 HB3 GLU 48 HB1 GLU 48 -21.547 -9.599 -17.243 327 HG2 GLU 48 HG2 GLU 48 -19.119 -10.427 -15.683 328 HG3 GLU 48 HG1 GLU 48 -20.408 -9.586 -14.835 329 H ALA 49 HN ALA 49 -18.657 -7.744 -19.073 330 HA ALA 49 HA ALA 49 -20.705 -7.189 -20.968 331 HB1 ALA 49 HB1 ALA 49 -19.395 -5.251 -21.548 332 HB2 ALA 49 HB2 ALA 49 -17.959 -5.931 -20.784 333 HB3 ALA 49 HB3 ALA 49 -19.341 -5.452 -19.799 334 H GLN 50 HN GLN 50 -17.718 -8.996 -21.025 335 HA GLN 50 HA GLN 50 -17.595 -8.894 -23.957 336 HB2 GLN 50 HB2 GLN 50 -15.757 -10.083 -21.840 337 HB3 GLN 50 HB1 GLN 50 -15.478 -10.273 -23.576 338 HG2 GLN 50 HG2 GLN 50 -15.317 -7.850 -23.839 339 HG3 GLN 50 HG1 GLN 50 -15.701 -7.619 -22.133 340 HE21 GLN 50 HE21 GLN 50 -13.408 -6.476 -22.463 341 HE22 GLN 50 HE22 GLN 50 -12.066 -7.456 -22.118 342 H LYS 51 HN LYS 51 -18.236 -10.465 -25.227 343 HA LYS 51 HA LYS 51 -20.024 -12.440 -24.390 344 HB2 LYS 51 HB2 LYS 51 -19.817 -11.642 -26.735 345 HB3 LYS 51 HB1 LYS 51 -18.265 -12.473 -26.861 346 HG2 LYS 51 HG2 LYS 51 -19.335 -14.626 -26.454 347 HG3 LYS 51 HG1 LYS 51 -20.890 -13.837 -26.192 348 HD2 LYS 51 HD2 LYS 51 -20.844 -12.989 -28.517 349 HD3 LYS 51 HD1 LYS 51 -19.301 -13.805 -28.776 350 HE2 LYS 51 HE2 LYS 51 -21.848 -15.223 -27.944 351 HE3 LYS 51 HE1 LYS 51 -21.277 -15.115 -29.610 352 HZ1 LYS 51 HZ1 LYS 51 -20.327 -16.758 -27.446 353 HZ2 LYS 51 HZ2 LYS 51 -19.086 -15.959 -28.286 354 HZ3 LYS 51 HZ3 LYS 51 -20.166 -16.971 -29.121
Contact the webmaster for help, if required. Sunday, June 16, 2024 2:21:55 PM GMT (wattos1)