NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
579880 | 2mli | 19822 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 2.020 21.245 -14.992 2 H2 GLY 1 HT2 GLY 1 0.399 20.774 -15.176 3 H3 GLY 1 HT3 GLY 1 1.648 19.672 -15.511 4 HA2 GLY 1 HA2 GLY 1 1.114 20.927 -12.780 5 HA3 GLY 1 HA1 GLY 1 0.666 19.283 -13.315 6 H ILE 2 HN ILE 2 1.785 19.202 -11.083 7 HA ILE 2 HA ILE 2 4.295 17.997 -11.310 8 HB ILE 2 HB ILE 2 3.233 18.322 -9.150 9 HG12 ILE 2 HG12 ILE 2 3.658 15.355 -9.690 10 HG13 ILE 2 HG11 ILE 2 4.911 16.520 -9.304 11 HG21 ILE 2 HG21 ILE 2 0.927 17.995 -9.600 12 HG22 ILE 2 HG22 ILE 2 1.348 16.706 -8.484 13 HG23 ILE 2 HG23 ILE 2 1.185 16.365 -10.202 14 HD11 ILE 2 HD11 ILE 2 4.516 15.648 -7.213 15 HD12 ILE 2 HD12 ILE 2 2.815 15.346 -7.559 16 HD13 ILE 2 HD13 ILE 2 3.364 16.980 -7.219 17 H VAL 3 HN VAL 3 1.172 16.733 -12.311 18 HA VAL 3 HA VAL 3 1.867 14.000 -12.578 19 HB VAL 3 HB VAL 3 -0.043 15.688 -14.216 20 HG11 VAL 3 HG11 VAL 3 0.433 13.616 -15.394 21 HG12 VAL 3 HG12 VAL 3 -1.153 13.480 -14.638 22 HG13 VAL 3 HG13 VAL 3 0.240 12.688 -13.907 23 HG21 VAL 3 HG21 VAL 3 -0.480 15.679 -11.783 24 HG22 VAL 3 HG22 VAL 3 -0.444 13.916 -11.784 25 HG23 VAL 3 HG23 VAL 3 -1.721 14.772 -12.648 26 H GLU 4 HN GLU 4 2.061 16.589 -15.063 27 HA GLU 4 HA GLU 4 3.041 15.035 -17.184 28 HB2 GLU 4 HB2 GLU 4 2.516 17.353 -17.548 29 HB3 GLU 4 HB1 GLU 4 3.730 17.872 -16.380 30 HG2 GLU 4 HG2 GLU 4 5.517 17.397 -17.809 31 HG3 GLU 4 HG1 GLU 4 4.597 16.223 -18.746 32 H GLN 5 HN GLN 5 5.150 16.935 -15.000 33 HA GLN 5 HA GLN 5 7.541 15.791 -15.940 34 HB2 GLN 5 HB2 GLN 5 6.966 16.908 -13.184 35 HB3 GLN 5 HB1 GLN 5 8.571 16.650 -13.867 36 HG2 GLN 5 HG2 GLN 5 8.139 18.934 -14.299 37 HG3 GLN 5 HG1 GLN 5 7.766 18.139 -15.826 38 HE21 GLN 5 HE21 GLN 5 5.804 18.285 -12.826 39 HE22 GLN 5 HE22 GLN 5 4.465 19.034 -13.552 40 H CYS 6 HN CYS 6 5.501 14.728 -13.219 41 HA CYS 6 HA CYS 6 7.374 12.569 -12.538 42 HB2 CYS 6 HB2 CYS 6 4.595 12.877 -11.451 43 HB3 CYS 6 HB1 CYS 6 6.023 12.260 -10.626 44 H CYS 7 HN CYS 7 4.045 12.713 -13.850 45 HA CYS 7 HA CYS 7 3.999 9.803 -14.169 46 HB2 CYS 7 HB2 CYS 7 1.979 11.173 -13.607 47 HB3 CYS 7 HB1 CYS 7 2.036 11.849 -15.230 48 H THR 8 HN THR 8 3.890 12.545 -16.510 49 HA THR 8 HA THR 8 4.212 10.762 -18.773 50 HB THR 8 HB THR 8 4.951 13.693 -18.778 51 HG1 THR 8 HG1 THR 8 2.351 12.649 -19.135 52 HG21 THR 8 HG21 THR 8 4.304 13.605 -21.063 53 HG22 THR 8 HG22 THR 8 3.525 12.036 -20.855 54 HG23 THR 8 HG23 THR 8 5.283 12.164 -20.787 55 H SER 9 HN SER 9 6.362 12.424 -16.607 56 HA SER 9 HA SER 9 8.702 11.091 -17.909 57 HB2 SER 9 HB2 SER 9 8.533 13.956 -16.946 58 HB3 SER 9 HB1 SER 9 10.037 13.150 -17.349 59 HG SER 9 HG SER 9 7.813 13.460 -19.091 60 H ILE 10 HN ILE 10 10.616 11.233 -16.187 61 HA ILE 10 HA ILE 10 9.432 10.293 -13.642 62 HB ILE 10 HB ILE 10 12.356 10.414 -14.445 63 HG12 ILE 10 HG12 ILE 10 10.184 8.343 -14.855 64 HG13 ILE 10 HG11 ILE 10 11.343 8.962 -16.027 65 HG21 ILE 10 HG21 ILE 10 12.724 8.934 -12.588 66 HG22 ILE 10 HG22 ILE 10 10.996 8.686 -12.355 67 HG23 ILE 10 HG23 ILE 10 11.724 10.240 -11.963 68 HD11 ILE 10 HD11 ILE 10 12.217 6.845 -15.528 69 HD12 ILE 10 HD12 ILE 10 11.765 6.954 -13.827 70 HD13 ILE 10 HD13 ILE 10 13.131 7.887 -14.437 71 H CYS 11 HN CYS 11 9.319 11.520 -11.852 72 HA CYS 11 HA CYS 11 10.429 14.268 -11.927 73 HB2 CYS 11 HB2 CYS 11 8.283 12.847 -10.427 74 HB3 CYS 11 HB1 CYS 11 9.094 14.139 -9.554 75 H SER 12 HN SER 12 10.893 14.890 -9.430 76 HA SER 12 HA SER 12 12.755 12.912 -8.224 77 HB2 SER 12 HB2 SER 12 13.784 15.654 -8.055 78 HB3 SER 12 HB1 SER 12 14.611 14.193 -8.585 79 HG SER 12 HG SER 12 14.483 15.246 -10.430 80 H LEU 13 HN LEU 13 13.063 13.334 -5.980 81 HA LEU 13 HA LEU 13 10.862 13.893 -4.409 82 HB2 LEU 13 HB2 LEU 13 12.862 12.964 -3.454 83 HB3 LEU 13 HB1 LEU 13 13.812 14.369 -3.915 84 HG LEU 13 HG LEU 13 12.709 15.749 -2.292 85 HD11 LEU 13 HD11 LEU 13 10.434 15.098 -2.447 86 HD12 LEU 13 HD12 LEU 13 10.903 14.607 -0.822 87 HD13 LEU 13 HD13 LEU 13 10.810 13.411 -2.116 88 HD21 LEU 13 HD21 LEU 13 13.230 14.579 -0.218 89 HD22 LEU 13 HD22 LEU 13 14.446 14.200 -1.439 90 HD23 LEU 13 HD23 LEU 13 13.183 13.029 -1.057 91 H TYR 14 HN TYR 14 13.512 16.118 -4.947 92 HA TYR 14 HA TYR 14 12.519 18.460 -3.831 93 HB2 TYR 14 HB2 TYR 14 13.931 18.574 -6.479 94 HB3 TYR 14 HB1 TYR 14 14.163 19.582 -5.054 95 HD1 TYR 14 HD1 TYR 14 14.946 18.315 -2.861 96 HD2 TYR 14 HD2 TYR 14 15.395 16.824 -6.840 97 HE1 TYR 14 HE1 TYR 14 16.741 16.787 -2.082 98 HE2 TYR 14 HE2 TYR 14 17.180 15.294 -6.086 99 HH TYR 14 HH TYR 14 18.204 15.226 -2.663 100 H GLN 15 HN GLN 15 11.949 17.222 -7.098 101 HA GLN 15 HA GLN 15 10.198 19.385 -7.875 102 HB2 GLN 15 HB2 GLN 15 10.470 16.539 -8.871 103 HB3 GLN 15 HB1 GLN 15 9.335 17.689 -9.567 104 HG2 GLN 15 HG2 GLN 15 11.314 19.249 -9.905 105 HG3 GLN 15 HG1 GLN 15 12.351 17.887 -9.488 106 HE21 GLN 15 HE21 GLN 15 9.373 18.163 -11.445 107 HE22 GLN 15 HE22 GLN 15 10.030 17.427 -12.819 108 H LEU 16 HN LEU 16 9.785 16.373 -6.090 109 HA LEU 16 HA LEU 16 6.881 16.579 -6.084 110 HB2 LEU 16 HB2 LEU 16 8.874 14.796 -4.876 111 HB3 LEU 16 HB1 LEU 16 7.502 15.078 -3.826 112 HG LEU 16 HG LEU 16 6.002 14.456 -5.739 113 HD11 LEU 16 HD11 LEU 16 8.659 13.738 -6.974 114 HD12 LEU 16 HD12 LEU 16 7.470 14.884 -7.593 115 HD13 LEU 16 HD13 LEU 16 7.106 13.159 -7.575 116 HD21 LEU 16 HD21 LEU 16 6.265 12.730 -4.188 117 HD22 LEU 16 HD22 LEU 16 7.991 12.560 -4.512 118 HD23 LEU 16 HD23 LEU 16 6.812 11.962 -5.677 119 H GLU 17 HN GLU 17 9.505 17.650 -4.063 120 HA GLU 17 HA GLU 17 7.977 18.475 -1.840 121 HB2 GLU 17 HB2 GLU 17 10.560 19.581 -2.933 122 HB3 GLU 17 HB1 GLU 17 9.896 19.902 -1.347 123 HG2 GLU 17 HG2 GLU 17 9.880 17.254 -1.167 124 HG3 GLU 17 HG1 GLU 17 11.109 17.373 -2.397 125 H ASN 18 HN ASN 18 8.896 20.052 -4.785 126 HA ASN 18 HA ASN 18 8.254 22.717 -4.313 127 HB2 ASN 18 HB2 ASN 18 8.271 20.904 -6.653 128 HB3 ASN 18 HB1 ASN 18 7.262 22.320 -6.862 129 HD21 ASN 18 HD21 ASN 18 10.317 21.275 -7.489 130 HD22 ASN 18 HD22 ASN 18 11.164 22.742 -7.394 131 H TYR 19 HN TYR 19 6.100 20.068 -4.983 132 HA TYR 19 HA TYR 19 3.728 21.789 -5.064 133 HB2 TYR 19 HB2 TYR 19 3.890 18.783 -5.077 134 HB3 TYR 19 HB1 TYR 19 2.579 19.782 -5.685 135 HD1 TYR 19 HD1 TYR 19 3.462 21.702 -7.372 136 HD2 TYR 19 HD2 TYR 19 5.352 17.947 -6.687 137 HE1 TYR 19 HE1 TYR 19 4.594 21.897 -9.568 138 HE2 TYR 19 HE2 TYR 19 6.526 18.126 -8.874 139 HH TYR 19 HH TYR 19 6.799 20.925 -10.577 140 H CYS 20 HN CYS 20 5.432 20.669 -2.405 141 HA CYS 20 HA CYS 20 3.141 19.671 -0.909 142 HB2 CYS 20 HB2 CYS 20 5.680 20.819 0.203 143 HB3 CYS 20 HB1 CYS 20 4.533 19.829 1.010 144 H ASN 21 HN ASN 21 1.728 21.484 -1.552 145 HA ASN 21 HA ASN 21 0.600 23.484 -1.091 146 HB2 ASN 21 HB2 ASN 21 0.280 22.416 1.064 147 HB3 ASN 21 HB1 ASN 21 1.886 22.900 1.590 148 HD21 ASN 21 HD21 ASN 21 -0.423 24.941 -0.231 149 HD22 ASN 21 HD22 ASN 21 -0.612 26.099 0.996 150 H1 PHE 22 HT1 PHE 22 15.695 9.320 -1.887 151 H2 PHE 22 HT2 PHE 22 16.061 9.872 -3.452 152 H3 PHE 22 HT3 PHE 22 16.181 8.218 -3.081 153 HA PHE 22 HA PHE 22 13.651 8.603 -2.435 154 HB2 PHE 22 HB2 PHE 22 14.111 11.042 -3.307 155 HB3 PHE 22 HB1 PHE 22 13.944 10.318 -4.903 156 HD1 PHE 22 HD1 PHE 22 12.221 10.363 -1.568 157 HD2 PHE 22 HD2 PHE 22 11.785 10.182 -5.838 158 HE1 PHE 22 HE1 PHE 22 9.761 10.413 -1.320 159 HE2 PHE 22 HE2 PHE 22 9.318 10.237 -5.587 160 HZ PHE 22 HZ PHE 22 8.298 10.352 -3.325 161 H VAL 23 HN VAL 23 12.947 8.869 -5.526 162 HA VAL 23 HA VAL 23 14.189 6.361 -6.495 163 HB VAL 23 HB VAL 23 12.263 5.538 -5.298 164 HG11 VAL 23 HG11 VAL 23 10.009 6.405 -5.825 165 HG12 VAL 23 HG12 VAL 23 10.735 7.608 -6.890 166 HG13 VAL 23 HG13 VAL 23 11.055 7.656 -5.157 167 HG21 VAL 23 HG21 VAL 23 12.772 4.727 -7.701 168 HG22 VAL 23 HG22 VAL 23 11.375 5.689 -8.186 169 HG23 VAL 23 HG23 VAL 23 11.177 4.357 -7.048 170 H ASN 24 HN ASN 24 13.541 5.939 -8.781 171 HA ASN 24 HA ASN 24 12.876 8.460 -10.270 172 HB2 ASN 24 HB2 ASN 24 14.966 6.334 -10.774 173 HB3 ASN 24 HB1 ASN 24 14.362 7.343 -12.085 174 HD21 ASN 24 HD21 ASN 24 14.303 9.851 -11.326 175 HD22 ASN 24 HD22 ASN 24 15.730 10.382 -10.576 176 H GLN 25 HN GLN 25 10.660 7.389 -9.925 177 HA GLN 25 HA GLN 25 10.156 5.303 -12.030 178 HB2 GLN 25 HB2 GLN 25 9.134 5.701 -9.241 179 HB3 GLN 25 HB1 GLN 25 8.001 5.047 -10.412 180 HG2 GLN 25 HG2 GLN 25 9.668 3.269 -10.971 181 HG3 GLN 25 HG1 GLN 25 10.724 3.902 -9.707 182 HE21 GLN 25 HE21 GLN 25 7.591 4.400 -8.646 183 HE22 GLN 25 HE22 GLN 25 7.387 2.985 -7.729 184 H HIS 26 HN HIS 26 7.845 5.401 -12.815 185 HA HIS 26 HA HIS 26 7.164 8.201 -13.527 186 HB2 HIS 26 HB2 HIS 26 6.439 5.468 -14.584 187 HB3 HIS 26 HB1 HIS 26 5.381 6.831 -14.938 188 HD2 HIS 26 HD2 HIS 26 9.122 5.749 -15.683 189 HE1 HIS 26 HE1 HIS 26 8.061 8.887 -18.303 190 HE2 HIS 26 HE2 HIS 26 9.863 7.192 -17.716 191 H LEU 27 HN LEU 27 6.243 8.921 -11.574 192 HA LEU 27 HA LEU 27 4.163 7.339 -10.249 193 HB2 LEU 27 HB2 LEU 27 4.829 10.232 -9.677 194 HB3 LEU 27 HB1 LEU 27 4.148 9.015 -8.612 195 HG LEU 27 HG LEU 27 6.923 8.714 -9.757 196 HD11 LEU 27 HD11 LEU 27 6.027 10.106 -7.223 197 HD12 LEU 27 HD12 LEU 27 6.980 10.790 -8.540 198 HD13 LEU 27 HD13 LEU 27 7.679 9.552 -7.497 199 HD21 LEU 27 HD21 LEU 27 5.904 6.689 -8.837 200 HD22 LEU 27 HD22 LEU 27 5.466 7.551 -7.362 201 HD23 LEU 27 HD23 LEU 27 7.162 7.258 -7.741 202 H CYS 28 HN CYS 28 1.946 7.735 -10.301 203 HA CYS 28 HA CYS 28 0.980 10.107 -11.818 204 HB2 CYS 28 HB2 CYS 28 0.023 7.294 -12.406 205 HB3 CYS 28 HB1 CYS 28 -0.475 8.777 -13.222 206 H GLY 29 HN GLY 29 -0.558 11.056 -10.684 207 HA2 GLY 29 HA2 GLY 29 -2.053 11.409 -8.899 208 HA3 GLY 29 HA1 GLY 29 -2.914 10.123 -9.720 209 H SER 30 HN SER 30 -3.227 8.246 -8.625 210 HA SER 30 HA SER 30 -2.995 7.905 -5.937 211 HB2 SER 30 HB2 SER 30 -2.561 5.750 -8.016 212 HB3 SER 30 HB1 SER 30 -2.906 5.441 -6.317 213 HG SER 30 HG SER 30 -4.690 7.178 -7.123 214 H ASP 31 HN ASP 31 -0.467 6.556 -8.108 215 HA ASP 31 HA ASP 31 1.319 5.958 -5.955 216 HB2 ASP 31 HB2 ASP 31 2.266 6.610 -8.745 217 HB3 ASP 31 HB1 ASP 31 2.885 5.403 -7.619 218 H LEU 32 HN LEU 32 1.077 8.750 -8.126 219 HA LEU 32 HA LEU 32 3.346 10.165 -7.069 220 HB2 LEU 32 HB2 LEU 32 2.493 10.707 -9.253 221 HB3 LEU 32 HB1 LEU 32 0.881 10.996 -8.610 222 HG LEU 32 HG LEU 32 1.663 12.984 -7.423 223 HD11 LEU 32 HD11 LEU 32 4.341 11.876 -8.150 224 HD12 LEU 32 HD12 LEU 32 3.852 12.810 -6.745 225 HD13 LEU 32 HD13 LEU 32 4.177 13.612 -8.271 226 HD21 LEU 32 HD21 LEU 32 2.831 13.286 -10.168 227 HD22 LEU 32 HD22 LEU 32 1.688 14.311 -9.321 228 HD23 LEU 32 HD23 LEU 32 1.145 12.812 -10.048 229 H VAL 33 HN VAL 33 -0.089 10.927 -6.668 230 HA VAL 33 HA VAL 33 -0.013 12.809 -4.679 231 HB VAL 33 HB VAL 33 -1.814 10.393 -4.973 232 HG11 VAL 33 HG11 VAL 33 -2.216 10.841 -2.732 233 HG12 VAL 33 HG12 VAL 33 -3.346 11.975 -3.471 234 HG13 VAL 33 HG13 VAL 33 -1.784 12.537 -2.888 235 HG21 VAL 33 HG21 VAL 33 -1.749 12.219 -6.722 236 HG22 VAL 33 HG22 VAL 33 -2.358 13.319 -5.485 237 HG23 VAL 33 HG23 VAL 33 -3.330 11.939 -5.993 238 H GLU 34 HN GLU 34 -0.135 9.307 -4.090 239 HA GLU 34 HA GLU 34 0.382 9.384 -1.308 240 HB2 GLU 34 HB2 GLU 34 1.121 7.323 -3.409 241 HB3 GLU 34 HB1 GLU 34 1.407 7.070 -1.686 242 HG2 GLU 34 HG2 GLU 34 -1.001 7.419 -1.241 243 HG3 GLU 34 HG1 GLU 34 -1.283 7.639 -2.967 244 H ALA 35 HN ALA 35 2.560 9.472 -4.094 245 HA ALA 35 HA ALA 35 5.035 9.388 -2.648 246 HB1 ALA 35 HB1 ALA 35 4.739 11.103 -5.121 247 HB2 ALA 35 HB2 ALA 35 4.568 9.357 -5.266 248 HB3 ALA 35 HB3 ALA 35 6.064 10.039 -4.651 249 H LEU 36 HN LEU 36 2.730 12.011 -3.373 250 HA LEU 36 HA LEU 36 4.498 14.018 -2.264 251 HB2 LEU 36 HB2 LEU 36 1.573 13.991 -2.922 252 HB3 LEU 36 HB1 LEU 36 2.377 15.400 -2.233 253 HG LEU 36 HG LEU 36 3.410 14.017 -4.729 254 HD11 LEU 36 HD11 LEU 36 1.015 15.670 -4.417 255 HD12 LEU 36 HD12 LEU 36 1.564 14.717 -5.783 256 HD13 LEU 36 HD13 LEU 36 2.151 16.355 -5.556 257 HD21 LEU 36 HD21 LEU 36 4.288 16.476 -5.042 258 HD22 LEU 36 HD22 LEU 36 5.112 15.450 -3.880 259 HD23 LEU 36 HD23 LEU 36 3.960 16.656 -3.323 260 H TYR 37 HN TYR 37 1.440 12.569 -1.091 261 HA TYR 37 HA TYR 37 1.386 13.588 1.509 262 HB2 TYR 37 HB2 TYR 37 -0.343 12.068 0.572 263 HB3 TYR 37 HB1 TYR 37 0.797 10.724 0.694 264 HD1 TYR 37 HD2 TYR 37 1.661 10.017 2.929 265 HD2 TYR 37 HD1 TYR 37 -1.472 12.907 2.488 266 HE1 TYR 37 HE2 TYR 37 1.057 9.716 5.315 267 HE2 TYR 37 HE1 TYR 37 -2.079 12.620 4.872 268 HH TYR 37 HH TYR 37 -0.956 11.856 6.978 269 H LEU 38 HN LEU 38 3.449 11.158 0.115 270 HA LEU 38 HA LEU 38 4.653 10.265 2.594 271 HB2 LEU 38 HB2 LEU 38 4.555 8.930 0.497 272 HB3 LEU 38 HB1 LEU 38 5.594 10.097 -0.294 273 HG LEU 38 HG LEU 38 6.549 8.878 2.282 274 HD11 LEU 38 HD11 LEU 38 7.551 6.986 0.943 275 HD12 LEU 38 HD12 LEU 38 6.508 7.463 -0.396 276 HD13 LEU 38 HD13 LEU 38 5.798 6.900 1.117 277 HD21 LEU 38 HD21 LEU 38 8.729 8.919 0.904 278 HD22 LEU 38 HD22 LEU 38 8.049 10.482 1.330 279 HD23 LEU 38 HD23 LEU 38 7.822 9.837 -0.291 280 H VAL 39 HN VAL 39 5.585 12.403 -0.076 281 HA VAL 39 HA VAL 39 8.040 13.327 1.165 282 HB VAL 39 HB VAL 39 6.371 14.230 -1.188 283 HG11 VAL 39 HG11 VAL 39 7.330 16.266 -0.433 284 HG12 VAL 39 HG12 VAL 39 8.330 15.694 -1.759 285 HG13 VAL 39 HG13 VAL 39 8.872 15.481 -0.094 286 HG21 VAL 39 HG21 VAL 39 9.015 12.841 -0.856 287 HG22 VAL 39 HG22 VAL 39 8.493 13.531 -2.390 288 HG23 VAL 39 HG23 VAL 39 7.575 12.232 -1.648 289 H CYS 40 HN CYS 40 5.033 15.052 0.367 290 HA CYS 40 HA CYS 40 5.612 17.361 1.948 291 HB2 CYS 40 HB2 CYS 40 2.926 16.320 1.067 292 HB3 CYS 40 HB1 CYS 40 3.357 17.991 1.380 293 H GLY 41 HN GLY 41 3.408 14.600 2.588 294 HA2 GLY 41 HA2 GLY 41 2.567 13.811 4.629 295 HA3 GLY 41 HA1 GLY 41 3.880 14.676 5.420 296 H GLU 42 HN GLU 42 3.139 16.153 6.840 297 HA GLU 42 HA GLU 42 0.419 16.957 7.039 298 HB2 GLU 42 HB2 GLU 42 1.934 17.037 8.949 299 HB3 GLU 42 HB1 GLU 42 2.912 18.265 8.148 300 HG2 GLU 42 HG2 GLU 42 1.386 19.284 9.794 301 HG3 GLU 42 HG1 GLU 42 0.986 19.821 8.169 302 H ARG 43 HN ARG 43 3.214 18.696 5.663 303 HA ARG 43 HA ARG 43 2.064 21.162 5.207 304 HB2 ARG 43 HB2 ARG 43 3.644 19.885 2.975 305 HB3 ARG 43 HB1 ARG 43 3.681 21.550 3.553 306 HG2 ARG 43 HG2 ARG 43 4.687 20.727 5.683 307 HG3 ARG 43 HG1 ARG 43 4.753 19.115 4.974 308 HD2 ARG 43 HD2 ARG 43 5.875 20.888 3.056 309 HD3 ARG 43 HD1 ARG 43 6.590 21.296 4.605 310 HE ARG 43 HE ARG 43 6.998 18.910 3.017 311 HH11 ARG 43 HH21 ARG 43 6.632 19.972 6.262 312 HH12 ARG 43 HH22 ARG 43 7.437 18.596 6.940 313 HH21 ARG 43 HH11 ARG 43 8.051 17.109 3.868 314 HH22 ARG 43 HH12 ARG 43 8.240 16.975 5.585 315 H GLY 44 HN GLY 44 1.030 18.168 3.809 316 HA2 GLY 44 HA2 GLY 44 -0.825 17.796 2.377 317 HA3 GLY 44 HA1 GLY 44 -1.165 19.531 2.453 318 H PHE 45 HN PHE 45 -1.476 18.849 -0.059 319 HA PHE 45 HA PHE 45 0.847 19.985 -1.391 320 HB2 PHE 45 HB2 PHE 45 1.248 17.906 -2.794 321 HB3 PHE 45 HB1 PHE 45 1.775 17.825 -1.124 322 HD1 PHE 45 HD1 PHE 45 -0.828 16.755 -3.492 323 HD2 PHE 45 HD2 PHE 45 0.725 16.390 0.469 324 HE1 PHE 45 HE1 PHE 45 -2.272 14.764 -3.111 325 HE2 PHE 45 HE2 PHE 45 -0.700 14.402 0.863 326 HZ PHE 45 HZ PHE 45 -2.193 13.590 -0.924 327 H 23F 46 HN 23F 46 0.488 19.954 -4.012 328 HB 23F 46 HB 23F 46 -2.338 21.479 -6.207 329 HD1 23F 46 HD1 23F 46 0.602 21.793 -3.548 330 HD2 23F 46 HD2 23F 46 -2.003 23.845 -6.480 331 HE1 23F 46 HE1 23F 46 1.824 23.939 -3.162 332 HE2 23F 46 HE2 23F 46 -0.778 25.917 -6.064 333 HZ 23F 46 HZ 23F 46 1.143 26.025 -4.416 334 H TYR 47 HN TYR 47 -3.793 19.111 -4.179 335 HA TYR 47 HA TYR 47 -4.439 17.643 -6.535 336 HB2 TYR 47 HB2 TYR 47 -2.539 16.247 -4.856 337 HB3 TYR 47 HB1 TYR 47 -4.058 15.396 -4.739 338 HD1 TYR 47 HD2 TYR 47 -5.322 15.165 -7.099 339 HD2 TYR 47 HD1 TYR 47 -1.071 15.595 -6.583 340 HE1 TYR 47 HE2 TYR 47 -4.943 14.103 -9.309 341 HE2 TYR 47 HE1 TYR 47 -0.702 14.520 -8.781 342 HH TYR 47 HH TYR 47 -2.613 14.336 -11.086 343 H THR 48 HN THR 48 -4.803 16.340 -3.250 344 HA THR 48 HA THR 48 -7.258 17.675 -2.635 345 HB THR 48 HB THR 48 -8.399 16.539 -4.340 346 HG1 THR 48 HG1 THR 48 -9.424 16.110 -2.399 347 HG21 THR 48 HG21 THR 48 -6.753 15.115 -5.239 348 HG22 THR 48 HG22 THR 48 -7.986 14.006 -4.643 349 HG23 THR 48 HG23 THR 48 -6.515 14.271 -3.710 350 H LYS 49 HN LYS 49 -6.772 17.672 -0.493 351 HA LYS 49 HA LYS 49 -5.544 15.395 0.813 352 HB2 LYS 49 HB2 LYS 49 -6.763 17.228 2.731 353 HB3 LYS 49 HB1 LYS 49 -5.054 16.936 2.426 354 HG2 LYS 49 HG2 LYS 49 -5.341 19.224 1.974 355 HG3 LYS 49 HG1 LYS 49 -5.334 18.482 0.378 356 HD2 LYS 49 HD2 LYS 49 -7.936 18.365 0.694 357 HD3 LYS 49 HD1 LYS 49 -7.667 19.566 1.955 358 HE2 LYS 49 HE2 LYS 49 -6.552 21.043 0.339 359 HE3 LYS 49 HE1 LYS 49 -6.772 19.838 -0.930 360 HZ1 LYS 49 HZ1 LYS 49 -8.632 21.741 0.102 361 HZ2 LYS 49 HZ2 LYS 49 -9.261 20.163 0.146 362 HZ3 LYS 49 HZ3 LYS 49 -8.709 20.820 -1.320 363 HA PRO 50 HA PRO 50 -8.922 12.963 2.153 364 HB2 PRO 50 HB2 PRO 50 -8.632 13.649 5.020 365 HB3 PRO 50 HB1 PRO 50 -8.501 12.071 4.231 366 HG2 PRO 50 HG2 PRO 50 -6.334 13.528 5.185 367 HG3 PRO 50 HG1 PRO 50 -6.233 12.289 3.922 368 HD2 PRO 50 HD2 PRO 50 -5.997 15.218 3.651 369 HD3 PRO 50 HD1 PRO 50 -5.515 13.945 2.520 370 H THR 51 HN THR 51 -9.098 15.483 4.672 371 HA THR 51 HA THR 51 -11.292 16.894 3.418 372 HB THR 51 HB THR 51 -12.733 15.132 4.000 373 HG1 THR 51 HG1 THR 51 -13.776 16.740 4.920 374 HG21 THR 51 HG21 THR 51 -11.141 13.759 5.213 375 HG22 THR 51 HG22 THR 51 -12.579 13.968 6.213 376 HG23 THR 51 HG23 THR 51 -11.123 14.902 6.555 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -0.867 20.933 -10.832 2 H2 GLY 1 HT2 GLY 1 -0.895 19.235 -10.886 3 H3 GLY 1 HT3 GLY 1 -1.649 20.137 -12.111 4 HA2 GLY 1 HA2 GLY 1 0.187 20.372 -13.363 5 HA3 GLY 1 HA1 GLY 1 1.107 20.719 -11.873 6 H ILE 2 HN ILE 2 0.995 19.007 -10.044 7 HA ILE 2 HA ILE 2 3.614 18.016 -10.669 8 HB ILE 2 HB ILE 2 2.952 18.374 -8.365 9 HG12 ILE 2 HG12 ILE 2 3.301 15.395 -8.901 10 HG13 ILE 2 HG11 ILE 2 4.593 16.575 -8.766 11 HG21 ILE 2 HG21 ILE 2 0.610 18.034 -8.386 12 HG22 ILE 2 HG22 ILE 2 1.223 16.754 -7.350 13 HG23 ILE 2 HG23 ILE 2 0.761 16.399 -9.009 14 HD11 ILE 2 HD11 ILE 2 2.835 15.438 -6.656 15 HD12 ILE 2 HD12 ILE 2 3.433 17.079 -6.456 16 HD13 ILE 2 HD13 ILE 2 4.569 15.744 -6.618 17 H VAL 3 HN VAL 3 0.394 16.676 -11.084 18 HA VAL 3 HA VAL 3 1.069 13.947 -11.404 19 HB VAL 3 HB VAL 3 -1.100 15.573 -12.759 20 HG11 VAL 3 HG11 VAL 3 -2.246 13.357 -12.925 21 HG12 VAL 3 HG12 VAL 3 -0.759 12.588 -12.380 22 HG13 VAL 3 HG13 VAL 3 -0.792 13.452 -13.916 23 HG21 VAL 3 HG21 VAL 3 -1.118 13.871 -10.245 24 HG22 VAL 3 HG22 VAL 3 -2.492 14.758 -10.906 25 HG23 VAL 3 HG23 VAL 3 -1.100 15.635 -10.271 26 H GLU 4 HN GLU 4 0.811 16.469 -13.946 27 HA GLU 4 HA GLU 4 1.437 14.889 -16.172 28 HB2 GLU 4 HB2 GLU 4 0.848 17.201 -16.468 29 HB3 GLU 4 HB1 GLU 4 2.243 17.737 -15.535 30 HG2 GLU 4 HG2 GLU 4 3.757 17.248 -17.247 31 HG3 GLU 4 HG1 GLU 4 2.694 16.058 -17.994 32 H GLN 5 HN GLN 5 3.891 16.818 -14.400 33 HA GLN 5 HA GLN 5 6.072 15.627 -15.734 34 HB2 GLN 5 HB2 GLN 5 6.001 16.864 -12.970 35 HB3 GLN 5 HB1 GLN 5 7.465 16.526 -13.889 36 HG2 GLN 5 HG2 GLN 5 7.078 18.777 -14.412 37 HG3 GLN 5 HG1 GLN 5 6.315 17.954 -15.768 38 HE21 GLN 5 HE21 GLN 5 5.288 18.719 -12.400 39 HE22 GLN 5 HE22 GLN 5 3.796 19.394 -12.848 40 H CYS 6 HN CYS 6 4.533 14.658 -12.671 41 HA CYS 6 HA CYS 6 6.508 12.522 -12.248 42 HB2 CYS 6 HB2 CYS 6 3.947 12.854 -10.721 43 HB3 CYS 6 HB1 CYS 6 5.499 12.269 -10.129 44 H CYS 7 HN CYS 7 3.007 12.625 -12.985 45 HA CYS 7 HA CYS 7 2.919 9.707 -13.205 46 HB2 CYS 7 HB2 CYS 7 1.020 11.098 -12.359 47 HB3 CYS 7 HB1 CYS 7 0.809 11.733 -13.986 48 H THR 8 HN THR 8 2.417 12.377 -15.575 49 HA THR 8 HA THR 8 2.364 10.525 -17.804 50 HB THR 8 HB THR 8 3.077 13.454 -18.035 51 HG1 THR 8 HG1 THR 8 0.626 12.230 -17.383 52 HG21 THR 8 HG21 THR 8 3.084 11.997 -20.051 53 HG22 THR 8 HG22 THR 8 1.866 13.270 -20.130 54 HG23 THR 8 HG23 THR 8 1.390 11.616 -19.743 55 H SER 9 HN SER 9 4.839 12.245 -16.076 56 HA SER 9 HA SER 9 6.933 10.881 -17.718 57 HB2 SER 9 HB2 SER 9 6.915 13.775 -16.831 58 HB3 SER 9 HB1 SER 9 8.330 12.957 -17.465 59 HG SER 9 HG SER 9 6.544 12.421 -19.204 60 H ILE 10 HN ILE 10 9.112 11.082 -16.355 61 HA ILE 10 HA ILE 10 8.387 10.216 -13.621 62 HB ILE 10 HB ILE 10 11.135 10.349 -14.902 63 HG12 ILE 10 HG12 ILE 10 8.960 8.242 -14.897 64 HG13 ILE 10 HG11 ILE 10 9.909 8.837 -16.256 65 HG21 ILE 10 HG21 ILE 10 11.831 8.930 -13.091 66 HG22 ILE 10 HG22 ILE 10 10.169 8.669 -12.568 67 HG23 ILE 10 HG23 ILE 10 10.926 10.243 -12.346 68 HD11 ILE 10 HD11 ILE 10 11.940 7.826 -14.913 69 HD12 ILE 10 HD12 ILE 10 10.900 6.759 -15.858 70 HD13 ILE 10 HD13 ILE 10 10.685 6.880 -14.112 71 H CYS 11 HN CYS 11 8.560 11.506 -11.871 72 HA CYS 11 HA CYS 11 9.586 14.262 -12.229 73 HB2 CYS 11 HB2 CYS 11 7.757 12.872 -10.336 74 HB3 CYS 11 HB1 CYS 11 8.694 14.190 -9.648 75 H SER 12 HN SER 12 10.468 14.988 -9.880 76 HA SER 12 HA SER 12 12.567 13.095 -8.959 77 HB2 SER 12 HB2 SER 12 13.725 15.703 -8.969 78 HB3 SER 12 HB1 SER 12 14.197 14.335 -9.967 79 HG SER 12 HG SER 12 13.455 16.390 -11.012 80 H LEU 13 HN LEU 13 13.189 13.539 -6.798 81 HA LEU 13 HA LEU 13 11.304 14.172 -4.900 82 HB2 LEU 13 HB2 LEU 13 13.443 13.281 -4.268 83 HB3 LEU 13 HB1 LEU 13 14.290 14.672 -4.931 84 HG LEU 13 HG LEU 13 13.473 16.104 -3.192 85 HD11 LEU 13 HD11 LEU 13 11.205 15.454 -2.939 86 HD12 LEU 13 HD12 LEU 13 11.945 15.025 -1.400 87 HD13 LEU 13 HD13 LEU 13 11.639 13.781 -2.611 88 HD21 LEU 13 HD21 LEU 13 15.338 14.633 -2.562 89 HD22 LEU 13 HD22 LEU 13 14.191 13.414 -2.008 90 HD23 LEU 13 HD23 LEU 13 14.301 14.965 -1.176 91 H TYR 14 HN TYR 14 13.802 16.392 -5.956 92 HA TYR 14 HA TYR 14 12.974 18.760 -4.752 93 HB2 TYR 14 HB2 TYR 14 13.932 18.798 -7.599 94 HB3 TYR 14 HB1 TYR 14 14.363 19.870 -6.270 95 HD1 TYR 14 HD1 TYR 14 15.503 18.699 -4.175 96 HD2 TYR 14 HD2 TYR 14 15.379 17.080 -8.126 97 HE1 TYR 14 HE1 TYR 14 17.436 17.238 -3.634 98 HE2 TYR 14 HE2 TYR 14 17.295 15.616 -7.609 99 HH TYR 14 HH TYR 14 18.357 14.625 -5.585 100 H GLN 15 HN GLN 15 11.895 17.421 -7.849 101 HA GLN 15 HA GLN 15 10.005 19.540 -8.379 102 HB2 GLN 15 HB2 GLN 15 10.138 16.668 -9.325 103 HB3 GLN 15 HB1 GLN 15 8.889 17.788 -9.850 104 HG2 GLN 15 HG2 GLN 15 10.752 19.351 -10.566 105 HG3 GLN 15 HG1 GLN 15 11.871 18.020 -10.282 106 HE21 GLN 15 HE21 GLN 15 8.613 18.211 -11.737 107 HE22 GLN 15 HE22 GLN 15 9.043 17.424 -13.171 108 H LEU 16 HN LEU 16 9.936 16.588 -6.453 109 HA LEU 16 HA LEU 16 7.073 16.779 -5.962 110 HB2 LEU 16 HB2 LEU 16 9.258 15.046 -5.053 111 HB3 LEU 16 HB1 LEU 16 8.086 15.363 -3.792 112 HG LEU 16 HG LEU 16 6.282 14.668 -5.392 113 HD11 LEU 16 HD11 LEU 16 7.075 13.292 -7.336 114 HD12 LEU 16 HD12 LEU 16 8.695 13.927 -7.041 115 HD13 LEU 16 HD13 LEU 16 7.386 15.022 -7.489 116 HD21 LEU 16 HD21 LEU 16 8.471 12.818 -4.471 117 HD22 LEU 16 HD22 LEU 16 7.100 12.181 -5.375 118 HD23 LEU 16 HD23 LEU 16 6.834 13.007 -3.840 119 H GLU 17 HN GLU 17 9.990 17.913 -4.432 120 HA GLU 17 HA GLU 17 8.853 18.801 -2.015 121 HB2 GLU 17 HB2 GLU 17 11.199 19.891 -3.562 122 HB3 GLU 17 HB1 GLU 17 10.810 20.259 -1.895 123 HG2 GLU 17 HG2 GLU 17 10.851 17.615 -1.638 124 HG3 GLU 17 HG1 GLU 17 11.856 17.706 -3.061 125 H ASN 18 HN ASN 18 9.230 20.300 -5.114 126 HA ASN 18 HA ASN 18 8.647 22.972 -4.610 127 HB2 ASN 18 HB2 ASN 18 8.272 21.091 -6.866 128 HB3 ASN 18 HB1 ASN 18 7.232 22.498 -6.934 129 HD21 ASN 18 HD21 ASN 18 10.089 21.466 -8.130 130 HD22 ASN 18 HD22 ASN 18 10.951 22.926 -8.194 131 H TYR 19 HN TYR 19 6.441 20.289 -4.818 132 HA TYR 19 HA TYR 19 4.070 21.990 -4.521 133 HB2 TYR 19 HB2 TYR 19 4.260 18.985 -4.492 134 HB3 TYR 19 HB1 TYR 19 2.854 19.962 -4.889 135 HD1 TYR 19 HD1 TYR 19 3.408 21.837 -6.752 136 HD2 TYR 19 HD2 TYR 19 5.437 18.117 -6.308 137 HE1 TYR 19 HE1 TYR 19 4.142 21.981 -9.115 138 HE2 TYR 19 HE2 TYR 19 6.211 18.245 -8.671 139 HH TYR 19 HH TYR 19 4.935 19.849 -10.916 140 H CYS 20 HN CYS 20 6.232 20.954 -2.185 141 HA CYS 20 HA CYS 20 4.266 19.969 -0.277 142 HB2 CYS 20 HB2 CYS 20 6.962 21.149 0.303 143 HB3 CYS 20 HB1 CYS 20 5.996 20.193 1.353 144 H ASN 21 HN ASN 21 2.760 21.780 -0.734 145 HA ASN 21 HA ASN 21 1.702 23.774 -0.113 146 HB2 ASN 21 HB2 ASN 21 1.777 22.735 2.084 147 HB3 ASN 21 HB1 ASN 21 3.429 23.288 2.328 148 HD21 ASN 21 HD21 ASN 21 0.173 24.655 1.573 149 HD22 ASN 21 HD22 ASN 21 0.395 26.069 2.485 150 H1 PHE 22 HT1 PHE 22 16.736 8.545 -4.329 151 H2 PHE 22 HT2 PHE 22 16.444 9.517 -2.966 152 H3 PHE 22 HT3 PHE 22 16.536 10.219 -4.510 153 HA PHE 22 HA PHE 22 14.326 8.921 -3.199 154 HB2 PHE 22 HB2 PHE 22 14.664 11.330 -4.220 155 HB3 PHE 22 HB1 PHE 22 14.228 10.552 -5.738 156 HD1 PHE 22 HD1 PHE 22 13.090 10.792 -2.172 157 HD2 PHE 22 HD2 PHE 22 11.939 10.361 -6.289 158 HE1 PHE 22 HE1 PHE 22 10.706 10.898 -1.518 159 HE2 PHE 22 HE2 PHE 22 9.550 10.465 -5.631 160 HZ PHE 22 HZ PHE 22 8.928 10.733 -3.242 161 H VAL 23 HN VAL 23 13.169 9.093 -6.161 162 HA VAL 23 HA VAL 23 14.254 6.555 -7.226 163 HB VAL 23 HB VAL 23 12.550 5.765 -5.713 164 HG11 VAL 23 HG11 VAL 23 10.234 6.608 -5.898 165 HG12 VAL 23 HG12 VAL 23 10.766 7.772 -7.110 166 HG13 VAL 23 HG13 VAL 23 11.361 7.887 -5.454 167 HG21 VAL 23 HG21 VAL 23 11.214 5.817 -8.428 168 HG22 VAL 23 HG22 VAL 23 11.211 4.523 -7.231 169 HG23 VAL 23 HG23 VAL 23 12.680 4.877 -8.139 170 H ASN 24 HN ASN 24 13.253 6.056 -9.368 171 HA ASN 24 HA ASN 24 12.343 8.527 -10.811 172 HB2 ASN 24 HB2 ASN 24 14.340 6.389 -11.571 173 HB3 ASN 24 HB1 ASN 24 13.522 7.341 -12.806 174 HD21 ASN 24 HD21 ASN 24 13.762 9.794 -12.576 175 HD22 ASN 24 HD22 ASN 24 15.203 10.395 -11.911 176 H GLN 25 HN GLN 25 10.219 7.466 -10.076 177 HA GLN 25 HA GLN 25 9.391 5.316 -12.006 178 HB2 GLN 25 HB2 GLN 25 8.833 5.799 -9.100 179 HB3 GLN 25 HB1 GLN 25 7.534 5.099 -10.052 180 HG2 GLN 25 HG2 GLN 25 9.092 3.307 -10.809 181 HG3 GLN 25 HG1 GLN 25 10.352 3.997 -9.785 182 HE21 GLN 25 HE21 GLN 25 7.617 4.605 -8.066 183 HE22 GLN 25 HE22 GLN 25 7.534 3.194 -7.125 184 H HIS 26 HN HIS 26 6.983 5.385 -12.405 185 HA HIS 26 HA HIS 26 6.173 8.161 -13.077 186 HB2 HIS 26 HB2 HIS 26 5.299 5.394 -13.912 187 HB3 HIS 26 HB1 HIS 26 4.189 6.744 -14.129 188 HD2 HIS 26 HD2 HIS 26 7.785 5.673 -15.424 189 HE1 HIS 26 HE1 HIS 26 6.248 8.676 -17.966 190 HE2 HIS 26 HE2 HIS 26 8.160 7.039 -17.606 191 H LEU 27 HN LEU 27 5.589 8.936 -11.013 192 HA LEU 27 HA LEU 27 3.766 7.388 -9.323 193 HB2 LEU 27 HB2 LEU 27 4.496 10.298 -8.944 194 HB3 LEU 27 HB1 LEU 27 4.000 9.110 -7.752 195 HG LEU 27 HG LEU 27 6.559 8.780 -9.315 196 HD11 LEU 27 HD11 LEU 27 6.135 10.146 -6.642 197 HD12 LEU 27 HD12 LEU 27 6.674 10.925 -8.131 198 HD13 LEU 27 HD13 LEU 27 7.704 9.735 -7.335 199 HD21 LEU 27 HD21 LEU 27 7.122 7.380 -7.321 200 HD22 LEU 27 HD22 LEU 27 5.711 6.778 -8.190 201 HD23 LEU 27 HD23 LEU 27 5.504 7.680 -6.689 202 H CYS 28 HN CYS 28 1.578 7.741 -9.046 203 HA CYS 28 HA CYS 28 0.334 10.072 -10.420 204 HB2 CYS 28 HB2 CYS 28 -0.673 7.234 -10.753 205 HB3 CYS 28 HB1 CYS 28 -1.327 8.688 -11.509 206 H GLY 29 HN GLY 29 -0.988 11.042 -9.057 207 HA2 GLY 29 HA2 GLY 29 -2.140 11.438 -7.041 208 HA3 GLY 29 HA1 GLY 29 -3.120 10.119 -7.653 209 H SER 30 HN SER 30 -3.268 8.348 -6.381 210 HA SER 30 HA SER 30 -2.451 8.102 -3.799 211 HB2 SER 30 HB2 SER 30 -3.897 6.455 -4.925 212 HB3 SER 30 HB1 SER 30 -2.499 5.812 -5.781 213 HG SER 30 HG SER 30 -2.195 4.633 -4.078 214 H ASP 31 HN ASP 31 -0.483 6.744 -6.483 215 HA ASP 31 HA ASP 31 1.697 6.063 -4.729 216 HB2 ASP 31 HB2 ASP 31 2.127 6.618 -7.657 217 HB3 ASP 31 HB1 ASP 31 2.806 5.340 -6.651 218 H LEU 32 HN LEU 32 0.854 8.923 -6.556 219 HA LEU 32 HA LEU 32 3.432 10.245 -6.108 220 HB2 LEU 32 HB2 LEU 32 2.265 10.761 -8.138 221 HB3 LEU 32 HB1 LEU 32 0.769 11.068 -7.269 222 HG LEU 32 HG LEU 32 1.720 13.090 -6.264 223 HD11 LEU 32 HD11 LEU 32 3.989 12.976 -5.952 224 HD12 LEU 32 HD12 LEU 32 4.064 13.681 -7.560 225 HD13 LEU 32 HD13 LEU 32 4.253 11.957 -7.360 226 HD21 LEU 32 HD21 LEU 32 1.427 14.364 -8.178 227 HD22 LEU 32 HD22 LEU 32 0.781 12.845 -8.765 228 HD23 LEU 32 HD23 LEU 32 2.420 13.315 -9.172 229 H VAL 33 HN VAL 33 0.123 11.064 -5.149 230 HA VAL 33 HA VAL 33 0.540 13.023 -3.278 231 HB VAL 33 HB VAL 33 -1.287 10.611 -3.180 232 HG11 VAL 33 HG11 VAL 33 -1.281 11.108 -0.911 233 HG12 VAL 33 HG12 VAL 33 -2.526 12.228 -1.462 234 HG13 VAL 33 HG13 VAL 33 -0.886 12.800 -1.179 235 HG21 VAL 33 HG21 VAL 33 -1.523 12.426 -4.943 236 HG22 VAL 33 HG22 VAL 33 -1.929 13.525 -3.625 237 HG23 VAL 33 HG23 VAL 33 -2.955 12.130 -3.957 238 H GLU 34 HN GLU 34 0.545 9.545 -2.556 239 HA GLU 34 HA GLU 34 1.526 9.711 0.094 240 HB2 GLU 34 HB2 GLU 34 1.975 7.589 -2.032 241 HB3 GLU 34 HB1 GLU 34 2.476 7.395 -0.352 242 HG2 GLU 34 HG2 GLU 34 0.157 7.698 0.396 243 HG3 GLU 34 HG1 GLU 34 -0.362 7.944 -1.271 244 H ALA 35 HN ALA 35 3.209 9.706 -3.019 245 HA ALA 35 HA ALA 35 5.890 9.693 -2.015 246 HB1 ALA 35 HB1 ALA 35 5.160 11.330 -4.448 247 HB2 ALA 35 HB2 ALA 35 4.978 9.581 -4.511 248 HB3 ALA 35 HB3 ALA 35 6.553 10.282 -4.184 249 H LEU 36 HN LEU 36 3.474 12.284 -2.426 250 HA LEU 36 HA LEU 36 5.385 14.327 -1.684 251 HB2 LEU 36 HB2 LEU 36 2.390 14.275 -1.831 252 HB3 LEU 36 HB1 LEU 36 3.294 15.706 -1.342 253 HG LEU 36 HG LEU 36 3.892 14.233 -3.928 254 HD11 LEU 36 HD11 LEU 36 1.570 15.891 -3.269 255 HD12 LEU 36 HD12 LEU 36 1.885 14.886 -4.672 256 HD13 LEU 36 HD13 LEU 36 2.487 16.533 -4.613 257 HD21 LEU 36 HD21 LEU 36 4.681 16.679 -4.479 258 HD22 LEU 36 HD22 LEU 36 5.700 15.703 -3.433 259 HD23 LEU 36 HD23 LEU 36 4.647 16.927 -2.737 260 H TYR 37 HN TYR 37 2.597 12.866 0.018 261 HA TYR 37 HA TYR 37 2.953 13.962 2.565 262 HB2 TYR 37 HB2 TYR 37 1.126 12.389 1.961 263 HB3 TYR 37 HB1 TYR 37 2.297 11.067 1.933 264 HD1 TYR 37 HD2 TYR 37 3.526 10.441 4.013 265 HD2 TYR 37 HD1 TYR 37 0.307 13.269 4.011 266 HE1 TYR 37 HE2 TYR 37 3.326 10.202 6.473 267 HE2 TYR 37 HE1 TYR 37 0.102 13.044 6.469 268 HH TYR 37 HH TYR 37 2.400 11.794 8.401 269 H LEU 38 HN LEU 38 4.806 11.522 0.908 270 HA LEU 38 HA LEU 38 6.418 10.732 3.185 271 HB2 LEU 38 HB2 LEU 38 6.025 9.265 1.259 272 HB3 LEU 38 HB1 LEU 38 6.774 10.421 0.181 273 HG LEU 38 HG LEU 38 8.297 9.355 2.551 274 HD11 LEU 38 HD11 LEU 38 7.445 7.366 1.401 275 HD12 LEU 38 HD12 LEU 38 9.176 7.532 1.110 276 HD13 LEU 38 HD13 LEU 38 8.024 7.990 -0.144 277 HD21 LEU 38 HD21 LEU 38 9.669 10.938 1.579 278 HD22 LEU 38 HD22 LEU 38 8.943 10.770 -0.014 279 HD23 LEU 38 HD23 LEU 38 10.112 9.584 0.551 280 H VAL 39 HN VAL 39 6.856 12.767 0.317 281 HA VAL 39 HA VAL 39 9.479 13.749 1.081 282 HB VAL 39 HB VAL 39 7.416 14.577 -0.968 283 HG11 VAL 39 HG11 VAL 39 8.470 16.635 -0.452 284 HG12 VAL 39 HG12 VAL 39 9.241 16.029 -1.908 285 HG13 VAL 39 HG13 VAL 39 10.054 15.869 -0.352 286 HG21 VAL 39 HG21 VAL 39 8.531 12.574 -1.589 287 HG22 VAL 39 HG22 VAL 39 10.082 13.194 -1.065 288 HG23 VAL 39 HG23 VAL 39 9.309 13.856 -2.503 289 H CYS 40 HN CYS 40 6.357 15.425 0.771 290 HA CYS 40 HA CYS 40 7.170 17.784 2.164 291 HB2 CYS 40 HB2 CYS 40 4.384 16.702 1.789 292 HB3 CYS 40 HB1 CYS 40 4.845 18.385 1.962 293 H GLY 41 HN GLY 41 5.140 15.030 3.245 294 HA2 GLY 41 HA2 GLY 41 4.639 14.306 5.415 295 HA3 GLY 41 HA1 GLY 41 6.098 15.141 5.938 296 H GLU 42 HN GLU 42 5.722 16.728 7.380 297 HA GLU 42 HA GLU 42 3.100 17.563 8.126 298 HB2 GLU 42 HB2 GLU 42 4.931 17.662 9.710 299 HB3 GLU 42 HB1 GLU 42 5.802 18.807 8.690 300 HG2 GLU 42 HG2 GLU 42 4.214 20.534 9.088 301 HG3 GLU 42 HG1 GLU 42 3.038 19.403 9.760 302 H ARG 43 HN ARG 43 5.559 19.228 6.137 303 HA ARG 43 HA ARG 43 4.338 21.710 5.868 304 HB2 ARG 43 HB2 ARG 43 5.432 20.365 3.403 305 HB3 ARG 43 HB1 ARG 43 5.591 22.042 3.921 306 HG2 ARG 43 HG2 ARG 43 6.965 21.221 5.861 307 HG3 ARG 43 HG1 ARG 43 6.958 19.630 5.103 308 HD2 ARG 43 HD2 ARG 43 7.714 21.736 3.190 309 HD3 ARG 43 HD1 ARG 43 8.784 21.659 4.569 310 HE ARG 43 HE ARG 43 8.409 19.001 3.740 311 HH11 ARG 43 HH21 ARG 43 9.535 21.987 2.436 312 HH12 ARG 43 HH22 ARG 43 10.604 21.238 1.297 313 HH21 ARG 43 HH11 ARG 43 9.798 18.007 2.263 314 HH22 ARG 43 HH12 ARG 43 10.753 18.985 1.199 315 H GLY 44 HN GLY 44 3.097 18.665 4.737 316 HA2 GLY 44 HA2 GLY 44 0.983 18.254 3.733 317 HA3 GLY 44 HA1 GLY 44 0.651 19.990 3.828 318 H PHE 45 HN PHE 45 -0.121 19.165 1.424 319 HA PHE 45 HA PHE 45 1.905 20.299 -0.348 320 HB2 PHE 45 HB2 PHE 45 2.059 18.187 -1.743 321 HB3 PHE 45 HB1 PHE 45 2.871 18.142 -0.190 322 HD1 PHE 45 HD1 PHE 45 -0.084 17.003 -2.053 323 HD2 PHE 45 HD2 PHE 45 2.106 16.760 1.605 324 HE1 PHE 45 HE1 PHE 45 -1.427 15.019 -1.383 325 HE2 PHE 45 HE2 PHE 45 0.784 14.779 2.286 326 HZ PHE 45 HZ PHE 45 -0.978 13.909 0.794 327 H 23F 46 HN 23F 46 1.084 20.153 -2.863 328 HB 23F 46 HB 23F 46 -2.101 21.632 -4.553 329 HD1 23F 46 HD1 23F 46 1.265 22.023 -2.471 330 HD2 23F 46 HD2 23F 46 -1.844 23.992 -4.931 331 HE1 23F 46 HE1 23F 46 2.523 24.183 -2.372 332 HE2 23F 46 HE2 23F 46 -0.577 26.076 -4.802 333 HZ 23F 46 HZ 23F 46 1.610 26.232 -3.537 334 H TYR 47 HN TYR 47 -3.168 19.287 -2.274 335 HA TYR 47 HA TYR 47 -4.161 17.767 -4.472 336 HB2 TYR 47 HB2 TYR 47 -1.980 16.428 -3.128 337 HB3 TYR 47 HB1 TYR 47 -3.442 15.560 -2.728 338 HD1 TYR 47 HD2 TYR 47 -5.109 15.337 -4.873 339 HD2 TYR 47 HD1 TYR 47 -0.822 15.683 -5.033 340 HE1 TYR 47 HE2 TYR 47 -5.100 14.234 -7.093 341 HE2 TYR 47 HE1 TYR 47 -0.822 14.564 -7.240 342 HH TYR 47 HH TYR 47 -3.852 13.433 -8.740 343 H THR 48 HN THR 48 -6.281 17.792 -3.992 344 HA THR 48 HA THR 48 -7.148 17.880 -1.160 345 HB THR 48 HB THR 48 -8.231 19.464 -2.630 346 HG1 THR 48 HG1 THR 48 -10.345 18.856 -2.292 347 HG21 THR 48 HG21 THR 48 -9.592 18.581 -4.582 348 HG22 THR 48 HG22 THR 48 -8.762 17.041 -4.362 349 HG23 THR 48 HG23 THR 48 -7.842 18.486 -4.782 350 H LYS 49 HN LYS 49 -9.741 16.577 -2.474 351 HA LYS 49 HA LYS 49 -9.058 13.872 -1.554 352 HB2 LYS 49 HB2 LYS 49 -11.472 13.410 -1.942 353 HB3 LYS 49 HB1 LYS 49 -11.218 14.804 -0.899 354 HG2 LYS 49 HG2 LYS 49 -11.385 16.230 -3.017 355 HG3 LYS 49 HG1 LYS 49 -11.954 14.775 -3.828 356 HD2 LYS 49 HD2 LYS 49 -13.985 15.713 -3.176 357 HD3 LYS 49 HD1 LYS 49 -13.658 14.669 -1.795 358 HE2 LYS 49 HE2 LYS 49 -14.210 16.723 -0.789 359 HE3 LYS 49 HE1 LYS 49 -12.448 16.763 -0.801 360 HZ1 LYS 49 HZ1 LYS 49 -13.994 17.861 -3.058 361 HZ2 LYS 49 HZ2 LYS 49 -12.406 18.223 -2.574 362 HZ3 LYS 49 HZ3 LYS 49 -13.725 18.790 -1.666 363 HA PRO 50 HA PRO 50 -8.220 12.116 -5.507 364 HB2 PRO 50 HB2 PRO 50 -10.240 9.998 -5.073 365 HB3 PRO 50 HB1 PRO 50 -8.501 9.837 -5.360 366 HG2 PRO 50 HG2 PRO 50 -9.742 9.484 -2.883 367 HG3 PRO 50 HG1 PRO 50 -8.023 9.845 -3.116 368 HD2 PRO 50 HD2 PRO 50 -10.122 11.601 -2.051 369 HD3 PRO 50 HD1 PRO 50 -8.368 11.818 -2.032 370 H THR 51 HN THR 51 -11.690 11.525 -4.892 371 HA THR 51 HA THR 51 -12.500 13.482 -6.895 372 HB THR 51 HB THR 51 -11.833 11.678 -8.401 373 HG1 THR 51 HG1 THR 51 -14.640 11.538 -8.131 374 HG21 THR 51 HG21 THR 51 -13.731 9.950 -6.788 375 HG22 THR 51 HG22 THR 51 -11.971 9.846 -6.737 376 HG23 THR 51 HG23 THR 51 -12.835 9.447 -8.222 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 0.327 18.944 -14.876 2 H2 GLY 1 HT2 GLY 1 0.663 20.533 -14.376 3 H3 GLY 1 HT3 GLY 1 -0.942 19.978 -14.426 4 HA2 GLY 1 HA2 GLY 1 -0.093 20.141 -12.098 5 HA3 GLY 1 HA1 GLY 1 -0.403 18.462 -12.621 6 H ILE 2 HN ILE 2 0.895 18.512 -10.473 7 HA ILE 2 HA ILE 2 3.483 17.519 -11.000 8 HB ILE 2 HB ILE 2 2.729 17.933 -8.730 9 HG12 ILE 2 HG12 ILE 2 3.282 14.966 -9.139 10 HG13 ILE 2 HG11 ILE 2 4.492 16.231 -9.019 11 HG21 ILE 2 HG21 ILE 2 0.693 15.785 -9.337 12 HG22 ILE 2 HG22 ILE 2 0.411 17.435 -8.803 13 HG23 ILE 2 HG23 ILE 2 1.081 16.256 -7.687 14 HD11 ILE 2 HD11 ILE 2 2.757 15.062 -6.910 15 HD12 ILE 2 HD12 ILE 2 3.236 16.747 -6.759 16 HD13 ILE 2 HD13 ILE 2 4.465 15.488 -6.841 17 H VAL 3 HN VAL 3 0.349 15.977 -11.424 18 HA VAL 3 HA VAL 3 1.201 13.285 -11.631 19 HB VAL 3 HB VAL 3 -1.044 14.721 -13.074 20 HG11 VAL 3 HG11 VAL 3 -2.040 12.430 -13.186 21 HG12 VAL 3 HG12 VAL 3 -0.516 11.777 -12.593 22 HG13 VAL 3 HG13 VAL 3 -0.578 12.589 -14.157 23 HG21 VAL 3 HG21 VAL 3 -0.978 13.114 -10.499 24 HG22 VAL 3 HG22 VAL 3 -2.411 13.849 -11.216 25 HG23 VAL 3 HG23 VAL 3 -1.111 14.870 -10.600 26 H GLU 4 HN GLU 4 0.842 15.702 -14.263 27 HA GLU 4 HA GLU 4 1.611 14.084 -16.419 28 HB2 GLU 4 HB2 GLU 4 0.879 16.343 -16.811 29 HB3 GLU 4 HB1 GLU 4 2.223 17.000 -15.879 30 HG2 GLU 4 HG2 GLU 4 3.793 16.542 -17.548 31 HG3 GLU 4 HG1 GLU 4 2.821 15.258 -18.262 32 H GLN 5 HN GLN 5 3.888 16.239 -14.680 33 HA GLN 5 HA GLN 5 6.179 15.163 -15.917 34 HB2 GLN 5 HB2 GLN 5 5.943 16.475 -13.197 35 HB3 GLN 5 HB1 GLN 5 7.454 16.217 -14.068 36 HG2 GLN 5 HG2 GLN 5 6.868 18.435 -14.626 37 HG3 GLN 5 HG1 GLN 5 6.320 17.501 -16.014 38 HE21 GLN 5 HE21 GLN 5 4.848 17.998 -12.771 39 HE22 GLN 5 HE22 GLN 5 3.368 18.581 -13.364 40 H CYS 6 HN CYS 6 4.637 14.187 -12.858 41 HA CYS 6 HA CYS 6 6.740 12.203 -12.325 42 HB2 CYS 6 HB2 CYS 6 4.130 12.412 -10.861 43 HB3 CYS 6 HB1 CYS 6 5.702 11.949 -10.218 44 H CYS 7 HN CYS 7 3.257 12.047 -13.133 45 HA CYS 7 HA CYS 7 3.372 9.125 -13.264 46 HB2 CYS 7 HB2 CYS 7 1.363 10.411 -12.496 47 HB3 CYS 7 HB1 CYS 7 1.139 10.968 -14.150 48 H THR 8 HN THR 8 2.746 11.684 -15.729 49 HA THR 8 HA THR 8 2.865 9.763 -17.898 50 HB THR 8 HB THR 8 3.387 12.724 -18.208 51 HG1 THR 8 HG1 THR 8 1.043 11.361 -17.497 52 HG21 THR 8 HG21 THR 8 3.566 11.344 -20.209 53 HG22 THR 8 HG22 THR 8 2.120 12.349 -20.301 54 HG23 THR 8 HG23 THR 8 1.981 10.640 -19.888 55 H SER 9 HN SER 9 5.182 11.708 -16.184 56 HA SER 9 HA SER 9 7.397 10.430 -17.735 57 HB2 SER 9 HB2 SER 9 7.163 13.344 -16.952 58 HB3 SER 9 HB1 SER 9 8.648 12.604 -17.515 59 HG SER 9 HG SER 9 6.800 11.910 -19.228 60 H ILE 10 HN ILE 10 9.528 10.828 -16.332 61 HA ILE 10 HA ILE 10 8.798 9.995 -13.589 62 HB ILE 10 HB ILE 10 11.562 10.276 -14.807 63 HG12 ILE 10 HG12 ILE 10 9.528 8.033 -14.805 64 HG13 ILE 10 HG11 ILE 10 10.480 8.652 -16.152 65 HG21 ILE 10 HG21 ILE 10 10.648 8.588 -12.459 66 HG22 ILE 10 HG22 ILE 10 11.284 10.218 -12.254 67 HG23 ILE 10 HG23 ILE 10 12.301 8.960 -12.941 68 HD11 ILE 10 HD11 ILE 10 11.557 6.628 -15.642 69 HD12 ILE 10 HD12 ILE 10 11.338 6.840 -13.906 70 HD13 ILE 10 HD13 ILE 10 12.533 7.808 -14.767 71 H CYS 11 HN CYS 11 8.868 11.324 -11.864 72 HA CYS 11 HA CYS 11 9.714 14.138 -12.275 73 HB2 CYS 11 HB2 CYS 11 7.921 12.682 -10.396 74 HB3 CYS 11 HB1 CYS 11 8.749 14.079 -9.723 75 H SER 12 HN SER 12 10.479 14.972 -9.914 76 HA SER 12 HA SER 12 12.660 13.233 -8.887 77 HB2 SER 12 HB2 SER 12 13.649 15.918 -8.962 78 HB3 SER 12 HB1 SER 12 14.254 14.537 -9.868 79 HG SER 12 HG SER 12 13.605 15.784 -11.465 80 H LEU 13 HN LEU 13 13.216 13.788 -6.730 81 HA LEU 13 HA LEU 13 11.248 14.355 -4.894 82 HB2 LEU 13 HB2 LEU 13 13.424 13.619 -4.190 83 HB3 LEU 13 HB1 LEU 13 14.197 15.043 -4.872 84 HG LEU 13 HG LEU 13 13.237 16.464 -3.192 85 HD11 LEU 13 HD11 LEU 13 11.751 15.317 -1.403 86 HD12 LEU 13 HD12 LEU 13 11.562 14.029 -2.593 87 HD13 LEU 13 HD13 LEU 13 11.020 15.660 -2.969 88 HD21 LEU 13 HD21 LEU 13 15.188 15.205 -2.456 89 HD22 LEU 13 HD22 LEU 13 14.159 13.859 -1.964 90 HD23 LEU 13 HD23 LEU 13 14.064 15.400 -1.111 91 H TYR 14 HN TYR 14 13.633 16.690 -5.955 92 HA TYR 14 HA TYR 14 12.641 19.041 -4.849 93 HB2 TYR 14 HB2 TYR 14 13.669 19.054 -7.670 94 HB3 TYR 14 HB1 TYR 14 14.015 20.178 -6.359 95 HD1 TYR 14 HD1 TYR 14 15.163 19.115 -4.211 96 HD2 TYR 14 HD2 TYR 14 15.212 17.398 -8.121 97 HE1 TYR 14 HE1 TYR 14 17.150 17.763 -3.589 98 HE2 TYR 14 HE2 TYR 14 17.184 16.040 -7.525 99 HH TYR 14 HH TYR 14 19.021 16.082 -5.910 100 H GLN 15 HN GLN 15 11.717 17.537 -7.916 101 HA GLN 15 HA GLN 15 9.725 19.529 -8.565 102 HB2 GLN 15 HB2 GLN 15 10.056 16.645 -9.425 103 HB3 GLN 15 HB1 GLN 15 8.763 17.677 -10.019 104 HG2 GLN 15 HG2 GLN 15 10.557 19.326 -10.721 105 HG3 GLN 15 HG1 GLN 15 11.739 18.069 -10.367 106 HE21 GLN 15 HE21 GLN 15 8.527 18.059 -11.938 107 HE22 GLN 15 HE22 GLN 15 9.046 17.250 -13.330 108 H LEU 16 HN LEU 16 9.783 16.633 -6.557 109 HA LEU 16 HA LEU 16 6.900 16.657 -6.148 110 HB2 LEU 16 HB2 LEU 16 9.162 15.092 -5.131 111 HB3 LEU 16 HB1 LEU 16 7.940 15.370 -3.910 112 HG LEU 16 HG LEU 16 6.226 14.520 -5.534 113 HD11 LEU 16 HD11 LEU 16 7.162 13.138 -7.415 114 HD12 LEU 16 HD12 LEU 16 8.723 13.900 -7.105 115 HD13 LEU 16 HD13 LEU 16 7.348 14.880 -7.615 116 HD21 LEU 16 HD21 LEU 16 8.496 12.841 -4.494 117 HD22 LEU 16 HD22 LEU 16 7.207 12.090 -5.431 118 HD23 LEU 16 HD23 LEU 16 6.826 12.933 -3.931 119 H GLU 17 HN GLU 17 9.696 18.033 -4.594 120 HA GLU 17 HA GLU 17 8.434 18.922 -2.234 121 HB2 GLU 17 HB2 GLU 17 10.756 20.102 -3.752 122 HB3 GLU 17 HB1 GLU 17 10.296 20.499 -2.111 123 HG2 GLU 17 HG2 GLU 17 10.493 17.872 -1.766 124 HG3 GLU 17 HG1 GLU 17 11.534 17.981 -3.158 125 H ASN 18 HN ASN 18 8.821 20.335 -5.373 126 HA ASN 18 HA ASN 18 8.060 22.982 -4.986 127 HB2 ASN 18 HB2 ASN 18 7.881 21.005 -7.183 128 HB3 ASN 18 HB1 ASN 18 6.757 22.339 -7.335 129 HD21 ASN 18 HD21 ASN 18 9.725 21.450 -8.383 130 HD22 ASN 18 HD22 ASN 18 10.489 22.961 -8.479 131 H TYR 19 HN TYR 19 6.032 20.159 -5.161 132 HA TYR 19 HA TYR 19 3.554 21.718 -5.010 133 HB2 TYR 19 HB2 TYR 19 3.926 18.736 -4.852 134 HB3 TYR 19 HB1 TYR 19 2.476 19.604 -5.328 135 HD1 TYR 19 HD1 TYR 19 2.978 21.446 -7.245 136 HD2 TYR 19 HD2 TYR 19 5.201 17.871 -6.598 137 HE1 TYR 19 HE1 TYR 19 3.779 21.549 -9.587 138 HE2 TYR 19 HE2 TYR 19 6.045 17.960 -8.940 139 HH TYR 19 HH TYR 19 6.039 20.537 -10.789 140 H CYS 20 HN CYS 20 5.691 20.916 -2.562 141 HA CYS 20 HA CYS 20 3.717 19.882 -0.689 142 HB2 CYS 20 HB2 CYS 20 6.293 21.271 -0.029 143 HB3 CYS 20 HB1 CYS 20 5.344 20.273 0.996 144 H ASN 21 HN ASN 21 2.104 21.559 -1.265 145 HA ASN 21 HA ASN 21 0.906 23.512 -0.769 146 HB2 ASN 21 HB2 ASN 21 1.016 22.496 1.468 147 HB3 ASN 21 HB1 ASN 21 2.569 23.270 1.752 148 HD21 ASN 21 HD21 ASN 21 -0.573 24.455 0.410 149 HD22 ASN 21 HD22 ASN 21 -0.674 25.796 1.447 150 H1 PHE 22 HT1 PHE 22 16.760 10.902 -4.261 151 H2 PHE 22 HT2 PHE 22 17.112 9.240 -4.245 152 H3 PHE 22 HT3 PHE 22 16.766 10.052 -2.793 153 HA PHE 22 HA PHE 22 14.674 9.411 -3.022 154 HB2 PHE 22 HB2 PHE 22 14.824 11.808 -4.090 155 HB3 PHE 22 HB1 PHE 22 14.484 10.970 -5.600 156 HD1 PHE 22 HD1 PHE 22 13.257 11.134 -2.056 157 HD2 PHE 22 HD2 PHE 22 12.229 10.626 -6.197 158 HE1 PHE 22 HE1 PHE 22 10.860 11.044 -1.452 159 HE2 PHE 22 HE2 PHE 22 9.826 10.541 -5.589 160 HZ PHE 22 HZ PHE 22 9.134 10.749 -3.212 161 H VAL 23 HN VAL 23 13.534 9.431 -6.002 162 HA VAL 23 HA VAL 23 14.798 6.942 -6.985 163 HB VAL 23 HB VAL 23 13.134 6.076 -5.475 164 HG11 VAL 23 HG11 VAL 23 10.765 6.764 -5.713 165 HG12 VAL 23 HG12 VAL 23 11.252 7.953 -6.921 166 HG13 VAL 23 HG13 VAL 23 11.808 8.109 -5.255 167 HG21 VAL 23 HG21 VAL 23 11.882 4.723 -6.974 168 HG22 VAL 23 HG22 VAL 23 13.337 5.142 -7.875 169 HG23 VAL 23 HG23 VAL 23 11.823 5.988 -8.201 170 H ASN 24 HN ASN 24 13.871 6.320 -9.121 171 HA ASN 24 HA ASN 24 12.816 8.678 -10.651 172 HB2 ASN 24 HB2 ASN 24 14.962 6.656 -11.320 173 HB3 ASN 24 HB1 ASN 24 14.104 7.520 -12.591 174 HD21 ASN 24 HD21 ASN 24 14.003 10.061 -12.083 175 HD22 ASN 24 HD22 ASN 24 15.467 10.741 -11.558 176 H GLN 25 HN GLN 25 10.753 7.507 -9.923 177 HA GLN 25 HA GLN 25 10.110 5.236 -11.784 178 HB2 GLN 25 HB2 GLN 25 9.470 5.781 -8.906 179 HB3 GLN 25 HB1 GLN 25 8.239 4.959 -9.851 180 HG2 GLN 25 HG2 GLN 25 9.925 3.253 -10.518 181 HG3 GLN 25 HG1 GLN 25 11.121 4.066 -9.508 182 HE21 GLN 25 HE21 GLN 25 8.503 4.626 -7.720 183 HE22 GLN 25 HE22 GLN 25 8.431 3.215 -6.781 184 H HIS 26 HN HIS 26 7.711 5.120 -12.219 185 HA HIS 26 HA HIS 26 6.716 7.805 -13.003 186 HB2 HIS 26 HB2 HIS 26 6.065 4.956 -13.762 187 HB3 HIS 26 HB1 HIS 26 4.865 6.214 -14.046 188 HD2 HIS 26 HD2 HIS 26 8.554 5.362 -15.240 189 HE1 HIS 26 HE1 HIS 26 6.863 8.170 -17.905 190 HE2 HIS 26 HE2 HIS 26 8.876 6.682 -17.457 191 H LEU 27 HN LEU 27 6.032 8.602 -10.984 192 HA LEU 27 HA LEU 27 4.291 6.986 -9.269 193 HB2 LEU 27 HB2 LEU 27 4.808 9.951 -8.986 194 HB3 LEU 27 HB1 LEU 27 4.380 8.774 -7.756 195 HG LEU 27 HG LEU 27 6.979 8.570 -9.276 196 HD11 LEU 27 HD11 LEU 27 8.049 9.714 -7.394 197 HD12 LEU 27 HD12 LEU 27 6.478 9.959 -6.630 198 HD13 LEU 27 HD13 LEU 27 6.858 10.774 -8.147 199 HD21 LEU 27 HD21 LEU 27 5.972 7.501 -6.619 200 HD22 LEU 27 HD22 LEU 27 7.613 7.291 -7.226 201 HD23 LEU 27 HD23 LEU 27 6.258 6.559 -8.082 202 H CYS 28 HN CYS 28 2.067 7.223 -9.021 203 HA CYS 28 HA CYS 28 0.712 9.409 -10.522 204 HB2 CYS 28 HB2 CYS 28 -0.097 6.500 -10.777 205 HB3 CYS 28 HB1 CYS 28 -0.828 7.880 -11.599 206 H GLY 29 HN GLY 29 -0.708 10.337 -9.230 207 HA2 GLY 29 HA2 GLY 29 -1.944 10.727 -7.263 208 HA3 GLY 29 HA1 GLY 29 -2.823 9.335 -7.865 209 H SER 30 HN SER 30 -2.840 7.526 -6.621 210 HA SER 30 HA SER 30 -2.200 7.391 -3.982 211 HB2 SER 30 HB2 SER 30 -3.358 5.537 -4.867 212 HB3 SER 30 HB1 SER 30 -2.108 5.219 -6.067 213 HG SER 30 HG SER 30 -2.345 4.190 -3.650 214 H ASP 31 HN ASP 31 0.084 6.073 -6.426 215 HA ASP 31 HA ASP 31 2.197 5.736 -4.522 216 HB2 ASP 31 HB2 ASP 31 2.690 6.242 -7.456 217 HB3 ASP 31 HB1 ASP 31 3.546 5.159 -6.360 218 H LEU 32 HN LEU 32 1.430 8.346 -6.793 219 HA LEU 32 HA LEU 32 3.723 9.974 -6.177 220 HB2 LEU 32 HB2 LEU 32 2.530 10.301 -8.243 221 HB3 LEU 32 HB1 LEU 32 1.010 10.534 -7.390 222 HG LEU 32 HG LEU 32 1.804 12.649 -6.459 223 HD11 LEU 32 HD11 LEU 32 4.073 12.664 -6.097 224 HD12 LEU 32 HD12 LEU 32 4.123 13.366 -7.706 225 HD13 LEU 32 HD13 LEU 32 4.427 11.662 -7.498 226 HD21 LEU 32 HD21 LEU 32 1.465 13.832 -8.421 227 HD22 LEU 32 HD22 LEU 32 0.937 12.251 -8.967 228 HD23 LEU 32 HD23 LEU 32 2.549 12.821 -9.359 229 H VAL 33 HN VAL 33 0.331 10.547 -5.330 230 HA VAL 33 HA VAL 33 0.546 12.573 -3.499 231 HB VAL 33 HB VAL 33 -1.091 10.030 -3.360 232 HG11 VAL 33 HG11 VAL 33 -1.196 10.628 -1.121 233 HG12 VAL 33 HG12 VAL 33 -2.509 11.616 -1.759 234 HG13 VAL 33 HG13 VAL 33 -0.930 12.332 -1.457 235 HG21 VAL 33 HG21 VAL 33 -1.954 12.857 -3.969 236 HG22 VAL 33 HG22 VAL 33 -2.846 11.365 -4.266 237 HG23 VAL 33 HG23 VAL 33 -1.408 11.737 -5.217 238 H GLU 34 HN GLU 34 0.779 9.126 -2.682 239 HA GLU 34 HA GLU 34 1.671 9.439 -0.012 240 HB2 GLU 34 HB2 GLU 34 2.142 7.288 -2.083 241 HB3 GLU 34 HB1 GLU 34 2.879 7.179 -0.484 242 HG2 GLU 34 HG2 GLU 34 -0.086 7.621 -0.901 243 HG3 GLU 34 HG1 GLU 34 0.631 6.025 -0.713 244 H ALA 35 HN ALA 35 3.432 9.440 -3.082 245 HA ALA 35 HA ALA 35 6.080 9.636 -2.015 246 HB1 ALA 35 HB1 ALA 35 6.763 10.209 -4.183 247 HB2 ALA 35 HB2 ALA 35 5.306 11.142 -4.519 248 HB3 ALA 35 HB3 ALA 35 5.252 9.384 -4.528 249 H LEU 36 HN LEU 36 3.511 12.051 -2.562 250 HA LEU 36 HA LEU 36 5.269 14.237 -1.850 251 HB2 LEU 36 HB2 LEU 36 2.289 13.985 -2.065 252 HB3 LEU 36 HB1 LEU 36 3.083 15.486 -1.593 253 HG LEU 36 HG LEU 36 3.843 13.989 -4.122 254 HD11 LEU 36 HD11 LEU 36 1.819 14.491 -4.932 255 HD12 LEU 36 HD12 LEU 36 2.313 16.176 -4.901 256 HD13 LEU 36 HD13 LEU 36 1.407 15.514 -3.566 257 HD21 LEU 36 HD21 LEU 36 4.395 16.755 -2.987 258 HD22 LEU 36 HD22 LEU 36 4.488 16.466 -4.719 259 HD23 LEU 36 HD23 LEU 36 5.542 15.583 -3.627 260 H TYR 37 HN TYR 37 2.516 12.702 -0.152 261 HA TYR 37 HA TYR 37 2.769 13.895 2.359 262 HB2 TYR 37 HB2 TYR 37 1.030 12.220 1.786 263 HB3 TYR 37 HB1 TYR 37 2.261 10.953 1.816 264 HD1 TYR 37 HD2 TYR 37 3.477 10.441 3.931 265 HD2 TYR 37 HD1 TYR 37 0.147 13.135 3.795 266 HE1 TYR 37 HE2 TYR 37 3.249 10.270 6.395 267 HE2 TYR 37 HE1 TYR 37 -0.085 12.978 6.256 268 HH TYR 37 HH TYR 37 0.664 10.979 8.050 269 H LEU 38 HN LEU 38 4.779 11.503 0.828 270 HA LEU 38 HA LEU 38 6.380 10.864 3.158 271 HB2 LEU 38 HB2 LEU 38 6.080 9.369 1.198 272 HB3 LEU 38 HB1 LEU 38 6.899 10.532 0.180 273 HG LEU 38 HG LEU 38 8.300 9.563 2.658 274 HD11 LEU 38 HD11 LEU 38 8.145 7.999 0.063 275 HD12 LEU 38 HD12 LEU 38 7.455 7.499 1.607 276 HD13 LEU 38 HD13 LEU 38 9.204 7.623 1.421 277 HD21 LEU 38 HD21 LEU 38 10.250 9.659 0.931 278 HD22 LEU 38 HD22 LEU 38 9.563 11.184 1.469 279 HD23 LEU 38 HD23 LEU 38 9.108 10.517 -0.094 280 H VAL 39 HN VAL 39 6.756 12.860 0.254 281 HA VAL 39 HA VAL 39 9.297 14.017 1.056 282 HB VAL 39 HB VAL 39 7.252 14.639 -1.081 283 HG11 VAL 39 HG11 VAL 39 8.998 16.175 -2.025 284 HG12 VAL 39 HG12 VAL 39 9.785 16.121 -0.448 285 HG13 VAL 39 HG13 VAL 39 8.158 16.780 -0.605 286 HG21 VAL 39 HG21 VAL 39 8.521 12.691 -1.583 287 HG22 VAL 39 HG22 VAL 39 10.010 13.444 -1.052 288 HG23 VAL 39 HG23 VAL 39 9.227 13.988 -2.534 289 H CYS 40 HN CYS 40 6.094 15.490 0.591 290 HA CYS 40 HA CYS 40 6.721 17.940 1.922 291 HB2 CYS 40 HB2 CYS 40 4.022 16.673 1.496 292 HB3 CYS 40 HB1 CYS 40 4.368 18.386 1.645 293 H GLY 41 HN GLY 41 4.829 15.103 3.041 294 HA2 GLY 41 HA2 GLY 41 4.318 14.418 5.223 295 HA3 GLY 41 HA1 GLY 41 5.680 15.395 5.763 296 H GLU 42 HN GLU 42 5.062 16.913 7.195 297 HA GLU 42 HA GLU 42 2.366 17.606 7.747 298 HB2 GLU 42 HB2 GLU 42 4.085 17.902 9.420 299 HB3 GLU 42 HB1 GLU 42 4.944 19.048 8.392 300 HG2 GLU 42 HG2 GLU 42 3.595 20.160 10.175 301 HG3 GLU 42 HG1 GLU 42 3.105 20.647 8.558 302 H ARG 43 HN ARG 43 4.815 19.381 5.854 303 HA ARG 43 HA ARG 43 3.465 21.750 5.421 304 HB2 ARG 43 HB2 ARG 43 4.775 20.384 3.070 305 HB3 ARG 43 HB1 ARG 43 4.784 22.091 3.510 306 HG2 ARG 43 HG2 ARG 43 6.142 21.502 5.521 307 HG3 ARG 43 HG1 ARG 43 6.214 19.845 4.926 308 HD2 ARG 43 HD2 ARG 43 6.921 21.529 2.743 309 HD3 ARG 43 HD1 ARG 43 7.830 22.083 4.136 310 HE ARG 43 HE ARG 43 8.147 19.614 2.658 311 HH11 ARG 43 HH21 ARG 43 8.199 20.883 5.850 312 HH12 ARG 43 HH22 ARG 43 9.184 19.606 6.480 313 HH21 ARG 43 HH11 ARG 43 9.430 17.940 3.449 314 HH22 ARG 43 HH12 ARG 43 9.882 17.940 5.121 315 H GLY 44 HN GLY 44 2.433 18.612 4.361 316 HA2 GLY 44 HA2 GLY 44 0.404 18.047 3.265 317 HA3 GLY 44 HA1 GLY 44 -0.025 19.763 3.281 318 H PHE 45 HN PHE 45 -0.659 18.860 0.888 319 HA PHE 45 HA PHE 45 1.364 20.031 -0.845 320 HB2 PHE 45 HB2 PHE 45 1.702 17.881 -2.156 321 HB3 PHE 45 HB1 PHE 45 2.470 17.955 -0.582 322 HD1 PHE 45 HD1 PHE 45 -0.363 16.554 -2.465 323 HD2 PHE 45 HD2 PHE 45 1.761 16.582 1.240 324 HE1 PHE 45 HE1 PHE 45 -1.583 14.506 -1.750 325 HE2 PHE 45 HE2 PHE 45 0.561 14.540 1.965 326 HZ PHE 45 HZ PHE 45 -1.107 13.505 0.472 327 H 23F 46 HN 23F 46 0.654 19.769 -3.380 328 HB 23F 46 HB 23F 46 -2.539 20.957 -5.262 329 HD1 23F 46 HD1 23F 46 0.698 21.654 -3.060 330 HD2 23F 46 HD2 23F 46 -2.402 23.306 -5.754 331 HE1 23F 46 HE1 23F 46 1.814 23.893 -3.008 332 HE2 23F 46 HE2 23F 46 -1.275 25.471 -5.666 333 HZ 23F 46 HZ 23F 46 0.833 25.824 -4.310 334 H TYR 47 HN TYR 47 -3.552 18.692 -2.897 335 HA TYR 47 HA TYR 47 -4.403 17.004 -5.031 336 HB2 TYR 47 HB2 TYR 47 -2.232 15.851 -3.505 337 HB3 TYR 47 HB1 TYR 47 -3.677 14.947 -3.122 338 HD1 TYR 47 HD2 TYR 47 -5.203 14.405 -5.258 339 HD2 TYR 47 HD1 TYR 47 -0.964 15.157 -5.375 340 HE1 TYR 47 HE2 TYR 47 -5.041 13.177 -7.404 341 HE2 TYR 47 HE1 TYR 47 -0.813 13.916 -7.512 342 HH TYR 47 HH TYR 47 -3.717 12.581 -9.085 343 H THR 48 HN THR 48 -6.491 17.496 -4.534 344 HA THR 48 HA THR 48 -7.558 16.499 -1.940 345 HB THR 48 HB THR 48 -8.211 19.261 -3.006 346 HG1 THR 48 HG1 THR 48 -6.109 19.309 -2.316 347 HG21 THR 48 HG21 THR 48 -8.850 17.757 -0.461 348 HG22 THR 48 HG22 THR 48 -9.980 18.426 -1.638 349 HG23 THR 48 HG23 THR 48 -9.039 19.504 -0.609 350 H LYS 49 HN LYS 49 -9.066 15.057 -2.631 351 HA LYS 49 HA LYS 49 -10.405 15.389 -5.197 352 HB2 LYS 49 HB2 LYS 49 -11.519 13.345 -3.351 353 HB3 LYS 49 HB1 LYS 49 -10.958 13.178 -5.009 354 HG2 LYS 49 HG2 LYS 49 -8.593 13.348 -4.144 355 HG3 LYS 49 HG1 LYS 49 -9.250 13.269 -2.510 356 HD2 LYS 49 HD2 LYS 49 -10.428 11.118 -3.239 357 HD3 LYS 49 HD1 LYS 49 -9.400 11.162 -4.672 358 HE2 LYS 49 HE2 LYS 49 -7.420 11.368 -3.053 359 HE3 LYS 49 HE1 LYS 49 -8.554 10.914 -1.781 360 HZ1 LYS 49 HZ1 LYS 49 -8.858 8.831 -2.669 361 HZ2 LYS 49 HZ2 LYS 49 -7.213 9.095 -3.003 362 HZ3 LYS 49 HZ3 LYS 49 -8.374 9.292 -4.228 363 HA PRO 50 HA PRO 50 -14.181 15.986 -2.136 364 HB2 PRO 50 HB2 PRO 50 -12.898 17.714 -0.105 365 HB3 PRO 50 HB1 PRO 50 -14.039 16.379 0.124 366 HG2 PRO 50 HG2 PRO 50 -11.337 16.219 0.708 367 HG3 PRO 50 HG1 PRO 50 -12.355 14.820 0.321 368 HD2 PRO 50 HD2 PRO 50 -10.287 16.131 -1.338 369 HD3 PRO 50 HD1 PRO 50 -10.947 14.496 -1.463 370 H THR 51 HN THR 51 -11.757 18.600 -1.876 371 HA THR 51 HA THR 51 -13.414 20.266 -3.730 372 HB THR 51 HB THR 51 -13.944 21.007 -1.448 373 HG1 THR 51 HG1 THR 51 -12.961 23.174 -1.678 374 HG21 THR 51 HG21 THR 51 -12.200 21.802 0.056 375 HG22 THR 51 HG22 THR 51 -10.963 21.462 -1.154 376 HG23 THR 51 HG23 THR 51 -11.852 20.136 -0.405 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 0.939 21.384 -13.873 2 H2 GLY 1 HT2 GLY 1 -0.664 20.845 -14.029 3 H3 GLY 1 HT3 GLY 1 0.618 19.865 -14.560 4 HA2 GLY 1 HA2 GLY 1 0.109 20.734 -11.675 5 HA3 GLY 1 HA1 GLY 1 -0.170 19.126 -12.398 6 H ILE 2 HN ILE 2 1.062 18.946 -10.213 7 HA ILE 2 HA ILE 2 3.669 18.019 -10.763 8 HB ILE 2 HB ILE 2 2.848 18.180 -8.487 9 HG12 ILE 2 HG12 ILE 2 3.414 15.275 -9.205 10 HG13 ILE 2 HG11 ILE 2 4.616 16.513 -8.892 11 HG21 ILE 2 HG21 ILE 2 0.818 16.140 -9.399 12 HG22 ILE 2 HG22 ILE 2 0.537 17.713 -8.669 13 HG23 ILE 2 HG23 ILE 2 1.163 16.395 -7.692 14 HD11 ILE 2 HD11 ILE 2 2.797 15.118 -6.999 15 HD12 ILE 2 HD12 ILE 2 3.278 16.770 -6.639 16 HD13 ILE 2 HD13 ILE 2 4.503 15.519 -6.817 17 H VAL 3 HN VAL 3 0.557 16.537 -11.459 18 HA VAL 3 HA VAL 3 1.420 13.883 -11.937 19 HB VAL 3 HB VAL 3 -0.775 15.472 -13.294 20 HG11 VAL 3 HG11 VAL 3 -1.771 13.216 -13.677 21 HG12 VAL 3 HG12 VAL 3 -0.278 12.491 -13.086 22 HG13 VAL 3 HG13 VAL 3 -0.266 13.453 -14.564 23 HG21 VAL 3 HG21 VAL 3 -1.025 15.423 -10.870 24 HG22 VAL 3 HG22 VAL 3 -0.717 13.687 -10.840 25 HG23 VAL 3 HG23 VAL 3 -2.192 14.308 -11.581 26 H GLU 4 HN GLU 4 1.125 16.568 -14.307 27 HA GLU 4 HA GLU 4 1.976 15.193 -16.593 28 HB2 GLU 4 HB2 GLU 4 1.249 17.476 -16.774 29 HB3 GLU 4 HB1 GLU 4 2.546 18.035 -15.720 30 HG2 GLU 4 HG2 GLU 4 4.188 17.766 -17.361 31 HG3 GLU 4 HG1 GLU 4 3.256 16.566 -18.252 32 H GLN 5 HN GLN 5 4.185 17.153 -14.563 33 HA GLN 5 HA GLN 5 6.523 16.221 -15.823 34 HB2 GLN 5 HB2 GLN 5 6.187 17.218 -12.984 35 HB3 GLN 5 HB1 GLN 5 7.726 17.071 -13.830 36 HG2 GLN 5 HG2 GLN 5 7.142 19.332 -14.158 37 HG3 GLN 5 HG1 GLN 5 6.629 18.559 -15.655 38 HE21 GLN 5 HE21 GLN 5 5.091 18.707 -12.406 39 HE22 GLN 5 HE22 GLN 5 3.618 19.339 -12.963 40 H CYS 6 HN CYS 6 4.891 14.913 -12.939 41 HA CYS 6 HA CYS 6 6.984 12.884 -12.560 42 HB2 CYS 6 HB2 CYS 6 4.324 12.936 -11.172 43 HB3 CYS 6 HB1 CYS 6 5.874 12.401 -10.530 44 H CYS 7 HN CYS 7 3.534 12.821 -13.508 45 HA CYS 7 HA CYS 7 3.654 9.930 -13.948 46 HB2 CYS 7 HB2 CYS 7 1.617 11.139 -13.129 47 HB3 CYS 7 HB1 CYS 7 1.462 11.871 -14.720 48 H THR 8 HN THR 8 3.125 12.743 -16.142 49 HA THR 8 HA THR 8 3.334 11.074 -18.505 50 HB THR 8 HB THR 8 3.851 14.052 -18.466 51 HG1 THR 8 HG1 THR 8 1.310 12.813 -18.528 52 HG21 THR 8 HG21 THR 8 2.320 12.334 -20.419 53 HG22 THR 8 HG22 THR 8 4.047 12.656 -20.568 54 HG23 THR 8 HG23 THR 8 2.892 13.986 -20.653 55 H SER 9 HN SER 9 5.574 12.805 -16.491 56 HA SER 9 HA SER 9 7.854 11.723 -18.098 57 HB2 SER 9 HB2 SER 9 7.581 14.523 -16.979 58 HB3 SER 9 HB1 SER 9 9.081 13.858 -17.595 59 HG SER 9 HG SER 9 8.295 13.902 -19.597 60 H ILE 10 HN ILE 10 9.930 11.952 -16.581 61 HA ILE 10 HA ILE 10 9.105 10.814 -13.977 62 HB ILE 10 HB ILE 10 11.909 11.219 -15.067 63 HG12 ILE 10 HG12 ILE 10 9.879 8.992 -15.363 64 HG13 ILE 10 HG11 ILE 10 10.879 9.741 -16.605 65 HG21 ILE 10 HG21 ILE 10 12.593 9.713 -13.326 66 HG22 ILE 10 HG22 ILE 10 10.926 9.299 -12.934 67 HG23 ILE 10 HG23 ILE 10 11.554 10.897 -12.543 68 HD11 ILE 10 HD11 ILE 10 11.653 7.702 -14.530 69 HD12 ILE 10 HD12 ILE 10 12.880 8.752 -15.238 70 HD13 ILE 10 HD13 ILE 10 11.940 7.675 -16.270 71 H CYS 11 HN CYS 11 9.079 11.965 -12.127 72 HA CYS 11 HA CYS 11 9.959 14.796 -12.191 73 HB2 CYS 11 HB2 CYS 11 8.095 13.154 -10.546 74 HB3 CYS 11 HB1 CYS 11 8.893 14.472 -9.702 75 H SER 12 HN SER 12 10.635 15.363 -9.726 76 HA SER 12 HA SER 12 12.755 13.493 -8.808 77 HB2 SER 12 HB2 SER 12 13.553 16.325 -8.649 78 HB3 SER 12 HB1 SER 12 14.471 14.943 -9.236 79 HG SER 12 HG SER 12 13.116 15.101 -11.159 80 H LEU 13 HN LEU 13 13.283 13.869 -6.597 81 HA LEU 13 HA LEU 13 11.227 14.191 -4.775 82 HB2 LEU 13 HB2 LEU 13 13.382 13.386 -4.078 83 HB3 LEU 13 HB1 LEU 13 14.173 14.872 -4.581 84 HG LEU 13 HG LEU 13 13.160 16.112 -2.794 85 HD11 LEU 13 HD11 LEU 13 10.936 15.296 -2.727 86 HD12 LEU 13 HD12 LEU 13 11.616 14.785 -1.185 87 HD13 LEU 13 HD13 LEU 13 11.467 13.632 -2.510 88 HD21 LEU 13 HD21 LEU 13 13.926 13.410 -1.677 89 HD22 LEU 13 HD22 LEU 13 14.029 14.966 -0.853 90 HD23 LEU 13 HD23 LEU 13 15.086 14.621 -2.223 91 H TYR 14 HN TYR 14 13.631 16.630 -5.499 92 HA TYR 14 HA TYR 14 12.603 18.851 -4.187 93 HB2 TYR 14 HB2 TYR 14 13.703 19.162 -6.963 94 HB3 TYR 14 HB1 TYR 14 14.025 20.130 -5.528 95 HD1 TYR 14 HD1 TYR 14 15.134 18.847 -3.495 96 HD2 TYR 14 HD2 TYR 14 15.226 17.528 -7.558 97 HE1 TYR 14 HE1 TYR 14 17.098 17.418 -2.982 98 HE2 TYR 14 HE2 TYR 14 17.179 16.097 -7.070 99 HH TYR 14 HH TYR 14 19.143 16.423 -4.698 100 H GLN 15 HN GLN 15 11.766 17.685 -7.422 101 HA GLN 15 HA GLN 15 9.792 19.736 -7.916 102 HB2 GLN 15 HB2 GLN 15 10.154 16.953 -9.051 103 HB3 GLN 15 HB1 GLN 15 8.877 18.042 -9.580 104 HG2 GLN 15 HG2 GLN 15 10.689 19.750 -10.059 105 HG3 GLN 15 HG1 GLN 15 11.863 18.464 -9.791 106 HE21 GLN 15 HE21 GLN 15 8.696 18.565 -11.441 107 HE22 GLN 15 HE22 GLN 15 9.265 17.917 -12.897 108 H LEU 16 HN LEU 16 9.795 16.639 -6.232 109 HA LEU 16 HA LEU 16 6.903 16.628 -5.901 110 HB2 LEU 16 HB2 LEU 16 9.139 14.953 -5.002 111 HB3 LEU 16 HB1 LEU 16 7.873 15.089 -3.801 112 HG LEU 16 HG LEU 16 6.221 14.433 -5.577 113 HD11 LEU 16 HD11 LEU 16 7.036 13.464 -7.628 114 HD12 LEU 16 HD12 LEU 16 8.709 13.698 -7.119 115 HD13 LEU 16 HD13 LEU 16 7.694 15.094 -7.482 116 HD21 LEU 16 HD21 LEU 16 6.774 12.684 -4.126 117 HD22 LEU 16 HD22 LEU 16 8.457 12.640 -4.655 118 HD23 LEU 16 HD23 LEU 16 7.187 12.005 -5.698 119 H GLU 17 HN GLU 17 9.654 17.832 -4.144 120 HA GLU 17 HA GLU 17 8.328 18.444 -1.728 121 HB2 GLU 17 HB2 GLU 17 10.690 19.783 -3.038 122 HB3 GLU 17 HB1 GLU 17 10.182 19.997 -1.377 123 HG2 GLU 17 HG2 GLU 17 10.372 17.351 -1.311 124 HG3 GLU 17 HG1 GLU 17 11.447 17.605 -2.659 125 H ASN 18 HN ASN 18 8.800 20.195 -4.677 126 HA ASN 18 HA ASN 18 8.028 22.785 -4.021 127 HB2 ASN 18 HB2 ASN 18 7.913 21.063 -6.426 128 HB3 ASN 18 HB1 ASN 18 6.791 22.406 -6.463 129 HD21 ASN 18 HD21 ASN 18 9.828 21.611 -7.454 130 HD22 ASN 18 HD22 ASN 18 10.574 23.133 -7.389 131 H TYR 19 HN TYR 19 6.005 20.006 -4.570 132 HA TYR 19 HA TYR 19 3.523 21.546 -4.315 133 HB2 TYR 19 HB2 TYR 19 3.892 18.562 -4.479 134 HB3 TYR 19 HB1 TYR 19 2.455 19.482 -4.897 135 HD1 TYR 19 HD1 TYR 19 3.010 21.522 -6.583 136 HD2 TYR 19 HD2 TYR 19 5.218 17.893 -6.275 137 HE1 TYR 19 HE1 TYR 19 3.878 21.882 -8.877 138 HE2 TYR 19 HE2 TYR 19 6.128 18.240 -8.566 139 HH TYR 19 HH TYR 19 5.088 21.026 -10.531 140 H CYS 20 HN CYS 20 5.594 20.464 -1.916 141 HA CYS 20 HA CYS 20 3.563 19.249 -0.217 142 HB2 CYS 20 HB2 CYS 20 6.129 20.535 0.655 143 HB3 CYS 20 HB1 CYS 20 5.152 19.435 1.538 144 H ASN 21 HN ASN 21 1.963 20.965 -0.607 145 HA ASN 21 HA ASN 21 0.765 22.863 0.061 146 HB2 ASN 21 HB2 ASN 21 0.779 21.698 2.193 147 HB3 ASN 21 HB1 ASN 21 2.399 22.281 2.545 148 HD21 ASN 21 HD21 ASN 21 -0.927 23.501 1.909 149 HD22 ASN 21 HD22 ASN 21 -0.760 24.894 2.864 150 H1 PHE 22 HT1 PHE 22 16.873 9.956 -4.751 151 H2 PHE 22 HT2 PHE 22 16.849 8.764 -3.541 152 H3 PHE 22 HT3 PHE 22 16.484 10.378 -3.155 153 HA PHE 22 HA PHE 22 14.483 9.015 -3.266 154 HB2 PHE 22 HB2 PHE 22 14.716 11.509 -4.048 155 HB3 PHE 22 HB1 PHE 22 14.471 10.853 -5.663 156 HD1 PHE 22 HD1 PHE 22 13.007 10.637 -2.210 157 HD2 PHE 22 HD2 PHE 22 12.262 10.613 -6.443 158 HE1 PHE 22 HE1 PHE 22 10.569 10.518 -1.782 159 HE2 PHE 22 HE2 PHE 22 9.824 10.496 -6.012 160 HZ PHE 22 HZ PHE 22 8.976 10.449 -3.680 161 H VAL 23 HN VAL 23 13.534 9.393 -6.299 162 HA VAL 23 HA VAL 23 14.813 7.008 -7.483 163 HB VAL 23 HB VAL 23 13.078 5.997 -6.152 164 HG11 VAL 23 HG11 VAL 23 11.272 8.040 -7.465 165 HG12 VAL 23 HG12 VAL 23 11.752 8.005 -5.768 166 HG13 VAL 23 HG13 VAL 23 10.724 6.730 -6.420 167 HG21 VAL 23 HG21 VAL 23 11.891 4.826 -7.846 168 HG22 VAL 23 HG22 VAL 23 13.386 5.332 -8.631 169 HG23 VAL 23 HG23 VAL 23 11.890 6.219 -8.927 170 H ASN 24 HN ASN 24 13.970 6.636 -9.717 171 HA ASN 24 HA ASN 24 12.988 9.161 -11.014 172 HB2 ASN 24 HB2 ASN 24 15.174 7.229 -11.804 173 HB3 ASN 24 HB1 ASN 24 14.362 8.215 -13.017 174 HD21 ASN 24 HD21 ASN 24 14.314 10.676 -12.446 175 HD22 ASN 24 HD22 ASN 24 15.706 11.312 -11.712 176 H GLN 25 HN GLN 25 10.898 7.922 -10.515 177 HA GLN 25 HA GLN 25 10.336 5.888 -12.655 178 HB2 GLN 25 HB2 GLN 25 9.571 6.095 -9.763 179 HB3 GLN 25 HB1 GLN 25 8.388 5.389 -10.852 180 HG2 GLN 25 HG2 GLN 25 10.113 3.774 -11.632 181 HG3 GLN 25 HG1 GLN 25 11.257 4.463 -10.484 182 HE21 GLN 25 HE21 GLN 25 9.829 4.748 -8.183 183 HE22 GLN 25 HE22 GLN 25 9.191 3.265 -7.666 184 H HIS 26 HN HIS 26 7.953 5.835 -13.195 185 HA HIS 26 HA HIS 26 6.998 8.599 -13.703 186 HB2 HIS 26 HB2 HIS 26 6.373 5.862 -14.809 187 HB3 HIS 26 HB1 HIS 26 5.185 7.149 -14.991 188 HD2 HIS 26 HD2 HIS 26 8.949 6.480 -16.086 189 HE1 HIS 26 HE1 HIS 26 7.315 9.502 -18.541 190 HE2 HIS 26 HE2 HIS 26 9.346 8.028 -18.137 191 H LEU 27 HN LEU 27 6.232 9.168 -11.634 192 HA LEU 27 HA LEU 27 4.422 7.376 -10.188 193 HB2 LEU 27 HB2 LEU 27 4.923 10.289 -9.551 194 HB3 LEU 27 HB1 LEU 27 4.440 8.983 -8.484 195 HG LEU 27 HG LEU 27 7.105 8.959 -9.896 196 HD11 LEU 27 HD11 LEU 27 8.038 9.779 -7.733 197 HD12 LEU 27 HD12 LEU 27 6.392 10.070 -7.169 198 HD13 LEU 27 HD13 LEU 27 7.029 10.981 -8.538 199 HD21 LEU 27 HD21 LEU 27 5.959 7.542 -7.468 200 HD22 LEU 27 HD22 LEU 27 7.641 7.430 -7.983 201 HD23 LEU 27 HD23 LEU 27 6.359 6.808 -9.021 202 H CYS 28 HN CYS 28 2.196 7.582 -10.014 203 HA CYS 28 HA CYS 28 0.893 9.922 -11.317 204 HB2 CYS 28 HB2 CYS 28 0.108 7.054 -11.899 205 HB3 CYS 28 HB1 CYS 28 -0.607 8.509 -12.595 206 H GLY 29 HN GLY 29 -0.564 10.719 -9.986 207 HA2 GLY 29 HA2 GLY 29 -1.850 10.915 -8.020 208 HA3 GLY 29 HA1 GLY 29 -2.727 9.606 -8.790 209 H SER 30 HN SER 30 -2.843 7.712 -7.693 210 HA SER 30 HA SER 30 -2.209 7.305 -5.078 211 HB2 SER 30 HB2 SER 30 -1.971 5.187 -7.229 212 HB3 SER 30 HB1 SER 30 -2.178 4.877 -5.507 213 HG SER 30 HG SER 30 -4.103 6.355 -5.825 214 H ASP 31 HN ASP 31 0.032 6.242 -7.682 215 HA ASP 31 HA ASP 31 2.121 5.571 -5.826 216 HB2 ASP 31 HB2 ASP 31 2.720 6.403 -8.658 217 HB3 ASP 31 HB1 ASP 31 3.420 5.094 -7.708 218 H LEU 32 HN LEU 32 1.283 8.500 -7.569 219 HA LEU 32 HA LEU 32 3.696 9.947 -6.803 220 HB2 LEU 32 HB2 LEU 32 2.617 10.549 -8.860 221 HB3 LEU 32 HB1 LEU 32 1.058 10.699 -8.064 222 HG LEU 32 HG LEU 32 1.815 12.689 -6.859 223 HD11 LEU 32 HD11 LEU 32 4.061 12.681 -6.399 224 HD12 LEU 32 HD12 LEU 32 4.195 13.512 -7.941 225 HD13 LEU 32 HD13 LEU 32 4.479 11.793 -7.858 226 HD21 LEU 32 HD21 LEU 32 1.569 14.087 -8.693 227 HD22 LEU 32 HD22 LEU 32 1.057 12.581 -9.431 228 HD23 LEU 32 HD23 LEU 32 2.687 13.174 -9.689 229 H VAL 33 HN VAL 33 0.289 10.492 -5.991 230 HA VAL 33 HA VAL 33 0.481 12.311 -3.948 231 HB VAL 33 HB VAL 33 -1.200 9.805 -4.169 232 HG11 VAL 33 HG11 VAL 33 -2.624 11.201 -2.385 233 HG12 VAL 33 HG12 VAL 33 -1.027 11.793 -1.940 234 HG13 VAL 33 HG13 VAL 33 -1.370 10.072 -1.871 235 HG21 VAL 33 HG21 VAL 33 -1.971 12.716 -4.393 236 HG22 VAL 33 HG22 VAL 33 -2.915 11.311 -4.886 237 HG23 VAL 33 HG23 VAL 33 -1.454 11.748 -5.772 238 H GLU 34 HN GLU 34 0.662 8.793 -3.512 239 HA GLU 34 HA GLU 34 1.483 8.792 -0.801 240 HB2 GLU 34 HB2 GLU 34 2.005 6.889 -3.091 241 HB3 GLU 34 HB1 GLU 34 2.692 6.592 -1.492 242 HG2 GLU 34 HG2 GLU 34 -0.257 7.100 -1.949 243 HG3 GLU 34 HG1 GLU 34 0.449 5.488 -1.918 244 H ALA 35 HN ALA 35 3.332 9.126 -3.800 245 HA ALA 35 HA ALA 35 5.950 9.178 -2.642 246 HB1 ALA 35 HB1 ALA 35 5.250 10.958 -4.986 247 HB2 ALA 35 HB2 ALA 35 5.193 9.211 -5.187 248 HB3 ALA 35 HB3 ALA 35 6.695 9.984 -4.715 249 H LEU 36 HN LEU 36 3.407 11.653 -2.973 250 HA LEU 36 HA LEU 36 5.157 13.740 -1.991 251 HB2 LEU 36 HB2 LEU 36 2.183 13.532 -2.310 252 HB3 LEU 36 HB1 LEU 36 2.966 14.966 -1.651 253 HG LEU 36 HG LEU 36 3.799 13.758 -4.308 254 HD11 LEU 36 HD11 LEU 36 2.285 16.014 -4.892 255 HD12 LEU 36 HD12 LEU 36 1.343 15.216 -3.660 256 HD13 LEU 36 HD13 LEU 36 1.796 14.345 -5.116 257 HD21 LEU 36 HD21 LEU 36 4.309 16.380 -2.856 258 HD22 LEU 36 HD22 LEU 36 4.453 16.287 -4.607 259 HD23 LEU 36 HD23 LEU 36 5.477 15.286 -3.590 260 H TYR 37 HN TYR 37 2.370 12.025 -0.540 261 HA TYR 37 HA TYR 37 2.561 12.943 2.093 262 HB2 TYR 37 HB2 TYR 37 0.834 11.348 1.291 263 HB3 TYR 37 HB1 TYR 37 2.061 10.080 1.216 264 HD1 TYR 37 HD2 TYR 37 3.252 9.376 3.309 265 HD2 TYR 37 HD1 TYR 37 -0.137 12.000 3.353 266 HE1 TYR 37 HE2 TYR 37 2.956 8.942 5.733 267 HE2 TYR 37 HE1 TYR 37 -0.435 11.580 5.774 268 HH TYR 37 HH TYR 37 0.234 9.541 7.383 269 H LEU 38 HN LEU 38 4.601 10.730 0.346 270 HA LEU 38 HA LEU 38 6.147 9.804 2.614 271 HB2 LEU 38 HB2 LEU 38 5.879 8.604 0.427 272 HB3 LEU 38 HB1 LEU 38 6.807 9.869 -0.355 273 HG LEU 38 HG LEU 38 8.072 8.604 2.038 274 HD11 LEU 38 HD11 LEU 38 7.227 6.598 1.009 275 HD12 LEU 38 HD12 LEU 38 8.932 6.726 0.574 276 HD13 LEU 38 HD13 LEU 38 7.687 7.162 -0.597 277 HD21 LEU 38 HD21 LEU 38 10.063 9.162 0.965 278 HD22 LEU 38 HD22 LEU 38 9.006 10.389 0.276 279 HD23 LEU 38 HD23 LEU 38 9.384 8.938 -0.645 280 H VAL 39 HN VAL 39 6.548 12.183 0.030 281 HA VAL 39 HA VAL 39 9.089 13.211 1.019 282 HB VAL 39 HB VAL 39 7.105 14.069 -1.095 283 HG11 VAL 39 HG11 VAL 39 7.988 16.144 -0.362 284 HG12 VAL 39 HG12 VAL 39 8.876 15.701 -1.811 285 HG13 VAL 39 HG13 VAL 39 9.612 15.473 -0.225 286 HG21 VAL 39 HG21 VAL 39 9.134 13.581 -2.549 287 HG22 VAL 39 HG22 VAL 39 8.387 12.191 -1.780 288 HG23 VAL 39 HG23 VAL 39 9.859 12.865 -1.115 289 H CYS 40 HN CYS 40 5.901 14.739 0.625 290 HA CYS 40 HA CYS 40 6.488 17.016 2.251 291 HB2 CYS 40 HB2 CYS 40 3.801 15.822 1.610 292 HB3 CYS 40 HB1 CYS 40 4.152 17.506 1.948 293 H GLY 41 HN GLY 41 4.561 14.077 2.961 294 HA2 GLY 41 HA2 GLY 41 3.979 13.134 5.024 295 HA3 GLY 41 HA1 GLY 41 5.327 14.025 5.722 296 H GLU 42 HN GLU 42 4.710 15.433 7.268 297 HA GLU 42 HA GLU 42 1.988 16.037 7.852 298 HB2 GLU 42 HB2 GLU 42 3.696 16.130 9.575 299 HB3 GLU 42 HB1 GLU 42 4.536 17.419 8.716 300 HG2 GLU 42 HG2 GLU 42 3.159 18.288 10.590 301 HG3 GLU 42 HG1 GLU 42 2.622 18.925 9.042 302 H ARG 43 HN ARG 43 4.478 18.015 6.237 303 HA ARG 43 HA ARG 43 3.126 20.419 6.057 304 HB2 ARG 43 HB2 ARG 43 4.506 19.357 3.592 305 HB3 ARG 43 HB1 ARG 43 4.507 20.992 4.251 306 HG2 ARG 43 HG2 ARG 43 5.806 20.138 6.205 307 HG3 ARG 43 HG1 ARG 43 5.892 18.573 5.401 308 HD2 ARG 43 HD2 ARG 43 6.666 20.523 3.478 309 HD3 ARG 43 HD1 ARG 43 7.536 20.885 4.958 310 HE ARG 43 HE ARG 43 7.891 18.628 3.179 311 HH11 ARG 43 HH21 ARG 43 7.853 19.471 6.508 312 HH12 ARG 43 HH22 ARG 43 8.809 18.112 6.997 313 HH21 ARG 43 HH11 ARG 43 9.137 16.850 3.783 314 HH22 ARG 43 HH12 ARG 43 9.537 16.628 5.454 315 H GLY 44 HN GLY 44 2.129 17.424 4.644 316 HA2 GLY 44 HA2 GLY 44 0.142 16.980 3.428 317 HA3 GLY 44 HA1 GLY 44 -0.295 18.684 3.619 318 H PHE 45 HN PHE 45 -0.853 18.037 1.128 319 HA PHE 45 HA PHE 45 1.205 19.399 -0.413 320 HB2 PHE 45 HB2 PHE 45 1.605 17.403 -1.929 321 HB3 PHE 45 HB1 PHE 45 2.317 17.310 -0.331 322 HD1 PHE 45 HD1 PHE 45 -0.435 16.109 -2.451 323 HD2 PHE 45 HD2 PHE 45 1.558 15.744 1.306 324 HE1 PHE 45 HE1 PHE 45 -1.665 13.993 -2.004 325 HE2 PHE 45 HE2 PHE 45 0.352 13.631 1.761 326 HZ PHE 45 HZ PHE 45 -1.258 12.756 0.108 327 H 23F 46 HN 23F 46 0.548 19.429 -2.971 328 HB 23F 46 HB 23F 46 -2.619 20.783 -4.772 329 HD1 23F 46 HD1 23F 46 0.586 21.245 -2.461 330 HD2 23F 46 HD2 23F 46 -2.494 23.173 -4.989 331 HE1 23F 46 HE1 23F 46 1.676 23.471 -2.128 332 HE2 23F 46 HE2 23F 46 -1.392 25.323 -4.629 333 HZ 23F 46 HZ 23F 46 0.693 25.533 -3.208 334 H TYR 47 HN TYR 47 -3.604 18.259 -2.624 335 HA TYR 47 HA TYR 47 -4.540 16.826 -4.880 336 HB2 TYR 47 HB2 TYR 47 -2.265 15.514 -3.614 337 HB3 TYR 47 HB1 TYR 47 -3.679 14.520 -3.381 338 HD1 TYR 47 HD2 TYR 47 -5.242 14.428 -5.588 339 HD2 TYR 47 HD1 TYR 47 -0.982 15.065 -5.548 340 HE1 TYR 47 HE2 TYR 47 -5.087 13.568 -7.909 341 HE2 TYR 47 HE1 TYR 47 -0.838 14.186 -7.854 342 HH TYR 47 HH TYR 47 -2.446 12.478 -9.286 343 H THR 48 HN THR 48 -4.179 15.238 -1.753 344 HA THR 48 HA THR 48 -5.872 14.539 -0.266 345 HB THR 48 HB THR 48 -6.667 16.346 1.021 346 HG1 THR 48 HG1 THR 48 -6.285 18.398 -0.693 347 HG21 THR 48 HG21 THR 48 -4.165 16.258 0.757 348 HG22 THR 48 HG22 THR 48 -4.785 17.851 1.187 349 HG23 THR 48 HG23 THR 48 -4.307 17.511 -0.476 350 H LYS 49 HN LYS 49 -8.355 16.438 -0.186 351 HA LYS 49 HA LYS 49 -9.822 15.492 -2.585 352 HB2 LYS 49 HB2 LYS 49 -11.671 14.759 -0.851 353 HB3 LYS 49 HB1 LYS 49 -10.362 13.656 -1.278 354 HG2 LYS 49 HG2 LYS 49 -9.164 14.122 0.718 355 HG3 LYS 49 HG1 LYS 49 -10.129 15.560 1.053 356 HD2 LYS 49 HD2 LYS 49 -12.125 14.125 1.385 357 HD3 LYS 49 HD1 LYS 49 -11.127 12.697 1.107 358 HE2 LYS 49 HE2 LYS 49 -11.476 13.253 3.545 359 HE3 LYS 49 HE1 LYS 49 -9.784 13.169 3.058 360 HZ1 LYS 49 HZ1 LYS 49 -11.384 15.663 3.255 361 HZ2 LYS 49 HZ2 LYS 49 -9.736 15.558 2.853 362 HZ3 LYS 49 HZ3 LYS 49 -10.263 15.130 4.411 363 HA PRO 50 HA PRO 50 -10.895 19.743 -1.265 364 HB2 PRO 50 HB2 PRO 50 -11.985 19.948 -4.003 365 HB3 PRO 50 HB1 PRO 50 -10.792 20.981 -3.202 366 HG2 PRO 50 HG2 PRO 50 -10.172 19.140 -5.188 367 HG3 PRO 50 HG1 PRO 50 -9.020 19.731 -3.978 368 HD2 PRO 50 HD2 PRO 50 -10.343 17.082 -4.145 369 HD3 PRO 50 HD1 PRO 50 -8.856 17.538 -3.295 370 H THR 51 HN THR 51 -13.175 18.498 -3.704 371 HA THR 51 HA THR 51 -15.419 19.041 -1.887 372 HB THR 51 HB THR 51 -16.766 18.112 -3.844 373 HG1 THR 51 HG1 THR 51 -15.693 17.208 -5.382 374 HG21 THR 51 HG21 THR 51 -16.361 20.109 -5.236 375 HG22 THR 51 HG22 THR 51 -14.843 20.392 -4.383 376 HG23 THR 51 HG23 THR 51 -16.377 20.522 -3.521 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -1.319 19.985 -13.842 2 H2 GLY 1 HT2 GLY 1 0.215 19.402 -14.282 3 H3 GLY 1 HT3 GLY 1 0.040 20.995 -13.717 4 HA2 GLY 1 HA2 GLY 1 -0.232 20.458 -11.486 5 HA3 GLY 1 HA1 GLY 1 -0.659 18.792 -11.971 6 H ILE 2 HN ILE 2 0.845 18.816 -9.947 7 HA ILE 2 HA ILE 2 3.335 17.743 -10.606 8 HB ILE 2 HB ILE 2 2.642 18.029 -8.294 9 HG12 ILE 2 HG12 ILE 2 3.156 15.090 -8.907 10 HG13 ILE 2 HG11 ILE 2 4.379 16.336 -8.733 11 HG21 ILE 2 HG21 ILE 2 0.568 15.940 -8.976 12 HG22 ILE 2 HG22 ILE 2 0.316 17.557 -8.341 13 HG23 ILE 2 HG23 ILE 2 1.002 16.311 -7.312 14 HD11 ILE 2 HD11 ILE 2 2.685 15.044 -6.663 15 HD12 ILE 2 HD12 ILE 2 3.188 16.710 -6.415 16 HD13 ILE 2 HD13 ILE 2 4.399 15.447 -6.611 17 H VAL 3 HN VAL 3 0.161 16.302 -11.056 18 HA VAL 3 HA VAL 3 0.971 13.611 -11.453 19 HB VAL 3 HB VAL 3 -1.319 15.156 -12.699 20 HG11 VAL 3 HG11 VAL 3 -0.782 12.185 -12.452 21 HG12 VAL 3 HG12 VAL 3 -0.933 13.108 -13.947 22 HG13 VAL 3 HG13 VAL 3 -2.338 12.874 -12.907 23 HG21 VAL 3 HG21 VAL 3 -2.607 14.110 -10.847 24 HG22 VAL 3 HG22 VAL 3 -1.327 15.160 -10.240 25 HG23 VAL 3 HG23 VAL 3 -1.113 13.410 -10.223 26 H GLU 4 HN GLU 4 0.500 16.183 -13.920 27 HA GLU 4 HA GLU 4 1.191 14.686 -16.190 28 HB2 GLU 4 HB2 GLU 4 0.426 16.951 -16.442 29 HB3 GLU 4 HB1 GLU 4 1.789 17.577 -15.517 30 HG2 GLU 4 HG2 GLU 4 3.312 17.236 -17.255 31 HG3 GLU 4 HG1 GLU 4 2.339 15.975 -18.006 32 H GLN 5 HN GLN 5 3.512 16.766 -14.422 33 HA GLN 5 HA GLN 5 5.770 15.799 -15.792 34 HB2 GLN 5 HB2 GLN 5 5.640 16.891 -12.970 35 HB3 GLN 5 HB1 GLN 5 7.098 16.762 -13.952 36 HG2 GLN 5 HG2 GLN 5 6.412 18.996 -14.280 37 HG3 GLN 5 HG1 GLN 5 5.799 18.164 -15.705 38 HE21 GLN 5 HE21 GLN 5 4.498 18.240 -12.358 39 HE22 GLN 5 HE22 GLN 5 2.978 18.856 -12.798 40 H CYS 6 HN CYS 6 4.363 14.614 -12.739 41 HA CYS 6 HA CYS 6 6.487 12.602 -12.432 42 HB2 CYS 6 HB2 CYS 6 3.945 12.742 -10.839 43 HB3 CYS 6 HB1 CYS 6 5.537 12.215 -10.298 44 H CYS 7 HN CYS 7 2.967 12.488 -13.101 45 HA CYS 7 HA CYS 7 3.075 9.577 -13.400 46 HB2 CYS 7 HB2 CYS 7 1.088 10.800 -12.496 47 HB3 CYS 7 HB1 CYS 7 0.817 11.471 -14.099 48 H THR 8 HN THR 8 2.353 12.269 -15.686 49 HA THR 8 HA THR 8 2.397 10.482 -17.969 50 HB THR 8 HB THR 8 2.880 13.463 -18.108 51 HG1 THR 8 HG1 THR 8 0.603 13.649 -18.060 52 HG21 THR 8 HG21 THR 8 1.319 11.576 -19.879 53 HG22 THR 8 HG22 THR 8 2.992 12.055 -20.168 54 HG23 THR 8 HG23 THR 8 1.708 13.264 -20.212 55 H SER 9 HN SER 9 4.766 12.328 -16.224 56 HA SER 9 HA SER 9 6.926 11.183 -17.946 57 HB2 SER 9 HB2 SER 9 6.707 14.034 -16.955 58 HB3 SER 9 HB1 SER 9 8.166 13.349 -17.645 59 HG SER 9 HG SER 9 6.182 14.449 -18.929 60 H ILE 10 HN ILE 10 9.110 11.510 -16.615 61 HA ILE 10 HA ILE 10 8.513 10.482 -13.908 62 HB ILE 10 HB ILE 10 11.201 10.878 -15.264 63 HG12 ILE 10 HG12 ILE 10 9.184 8.625 -15.250 64 HG13 ILE 10 HG11 ILE 10 10.102 9.279 -16.602 65 HG21 ILE 10 HG21 ILE 10 12.089 9.493 -13.510 66 HG22 ILE 10 HG22 ILE 10 10.480 9.096 -12.916 67 HG23 ILE 10 HG23 ILE 10 11.123 10.721 -12.705 68 HD11 ILE 10 HD11 ILE 10 12.179 8.365 -15.250 69 HD12 ILE 10 HD12 ILE 10 11.208 7.262 -16.224 70 HD13 ILE 10 HD13 ILE 10 10.967 7.341 -14.480 71 H CYS 11 HN CYS 11 8.762 11.635 -12.063 72 HA CYS 11 HA CYS 11 9.547 14.502 -12.307 73 HB2 CYS 11 HB2 CYS 11 7.763 12.920 -10.522 74 HB3 CYS 11 HB1 CYS 11 8.602 14.263 -9.759 75 H SER 12 HN SER 12 10.348 15.152 -9.896 76 HA SER 12 HA SER 12 12.496 13.301 -9.011 77 HB2 SER 12 HB2 SER 12 13.298 16.149 -9.064 78 HB3 SER 12 HB1 SER 12 14.216 14.723 -9.531 79 HG SER 12 HG SER 12 12.227 16.092 -11.025 80 H LEU 13 HN LEU 13 13.163 13.784 -6.858 81 HA LEU 13 HA LEU 13 11.223 14.206 -4.933 82 HB2 LEU 13 HB2 LEU 13 13.410 13.422 -4.331 83 HB3 LEU 13 HB1 LEU 13 14.176 14.876 -4.951 84 HG LEU 13 HG LEU 13 13.279 16.205 -3.165 85 HD11 LEU 13 HD11 LEU 13 11.829 14.969 -1.405 86 HD12 LEU 13 HD12 LEU 13 11.595 13.753 -2.660 87 HD13 LEU 13 HD13 LEU 13 11.058 15.407 -2.928 88 HD21 LEU 13 HD21 LEU 13 15.235 14.813 -2.603 89 HD22 LEU 13 HD22 LEU 13 14.156 13.530 -2.055 90 HD23 LEU 13 HD23 LEU 13 14.201 15.071 -1.198 91 H TYR 14 HN TYR 14 13.588 16.590 -5.918 92 HA TYR 14 HA TYR 14 12.649 18.879 -4.655 93 HB2 TYR 14 HB2 TYR 14 13.578 19.049 -7.506 94 HB3 TYR 14 HB1 TYR 14 13.992 20.081 -6.141 95 HD1 TYR 14 HD1 TYR 14 15.226 18.892 -4.123 96 HD2 TYR 14 HD2 TYR 14 15.050 17.375 -8.114 97 HE1 TYR 14 HE1 TYR 14 17.216 17.478 -3.669 98 HE2 TYR 14 HE2 TYR 14 17.028 15.958 -7.683 99 HH TYR 14 HH TYR 14 19.112 16.226 -5.851 100 H GLN 15 HN GLN 15 11.607 17.556 -7.768 101 HA GLN 15 HA GLN 15 9.611 19.595 -8.235 102 HB2 GLN 15 HB2 GLN 15 9.902 16.766 -9.269 103 HB3 GLN 15 HB1 GLN 15 8.594 17.832 -9.763 104 HG2 GLN 15 HG2 GLN 15 10.376 19.516 -10.423 105 HG3 GLN 15 HG1 GLN 15 11.560 18.234 -10.183 106 HE21 GLN 15 HE21 GLN 15 8.292 18.295 -11.629 107 HE22 GLN 15 HE22 GLN 15 8.764 17.588 -13.091 108 H LEU 16 HN LEU 16 9.713 16.582 -6.410 109 HA LEU 16 HA LEU 16 6.846 16.591 -5.910 110 HB2 LEU 16 HB2 LEU 16 9.132 14.962 -5.061 111 HB3 LEU 16 HB1 LEU 16 7.946 15.166 -3.790 112 HG LEU 16 HG LEU 16 6.184 14.421 -5.415 113 HD11 LEU 16 HD11 LEU 16 7.260 14.905 -7.500 114 HD12 LEU 16 HD12 LEU 16 7.058 13.155 -7.402 115 HD13 LEU 16 HD13 LEU 16 8.635 13.881 -7.086 116 HD21 LEU 16 HD21 LEU 16 6.819 12.738 -3.927 117 HD22 LEU 16 HD22 LEU 16 8.474 12.677 -4.538 118 HD23 LEU 16 HD23 LEU 16 7.159 11.986 -5.484 119 H GLU 17 HN GLU 17 9.696 17.868 -4.377 120 HA GLU 17 HA GLU 17 8.523 18.613 -1.923 121 HB2 GLU 17 HB2 GLU 17 10.799 19.870 -3.448 122 HB3 GLU 17 HB1 GLU 17 10.395 20.177 -1.773 123 HG2 GLU 17 HG2 GLU 17 10.585 17.534 -1.580 124 HG3 GLU 17 HG1 GLU 17 11.584 17.717 -2.997 125 H ASN 18 HN ASN 18 8.816 20.212 -4.982 126 HA ASN 18 HA ASN 18 8.079 22.833 -4.407 127 HB2 ASN 18 HB2 ASN 18 7.821 20.998 -6.717 128 HB3 ASN 18 HB1 ASN 18 6.702 22.345 -6.750 129 HD21 ASN 18 HD21 ASN 18 9.689 21.481 -7.858 130 HD22 ASN 18 HD22 ASN 18 10.435 23.004 -7.918 131 H TYR 19 HN TYR 19 6.033 20.032 -4.706 132 HA TYR 19 HA TYR 19 3.569 21.584 -4.373 133 HB2 TYR 19 HB2 TYR 19 3.927 18.597 -4.415 134 HB3 TYR 19 HB1 TYR 19 2.469 19.501 -4.790 135 HD1 TYR 19 HD1 TYR 19 2.923 21.457 -6.603 136 HD2 TYR 19 HD2 TYR 19 5.144 17.840 -6.251 137 HE1 TYR 19 HE1 TYR 19 3.653 21.702 -8.959 138 HE2 TYR 19 HE2 TYR 19 5.917 18.071 -8.605 139 HH TYR 19 HH TYR 19 4.579 20.536 -10.719 140 H CYS 20 HN CYS 20 5.782 20.619 -2.057 141 HA CYS 20 HA CYS 20 3.869 19.484 -0.178 142 HB2 CYS 20 HB2 CYS 20 6.491 20.799 0.444 143 HB3 CYS 20 HB1 CYS 20 5.577 19.761 1.461 144 H ASN 21 HN ASN 21 2.268 21.230 -0.619 145 HA ASN 21 HA ASN 21 1.143 23.195 0.005 146 HB2 ASN 21 HB2 ASN 21 1.219 21.976 2.150 147 HB3 ASN 21 HB1 ASN 21 2.774 22.716 2.513 148 HD21 ASN 21 HD21 ASN 21 1.187 23.421 4.450 149 HD22 ASN 21 HD22 ASN 21 0.433 24.927 4.237 150 H1 PHE 22 HT1 PHE 22 16.731 9.704 -3.300 151 H2 PHE 22 HT2 PHE 22 16.687 10.692 -4.681 152 H3 PHE 22 HT3 PHE 22 17.028 9.034 -4.829 153 HA PHE 22 HA PHE 22 14.626 9.115 -3.520 154 HB2 PHE 22 HB2 PHE 22 14.777 11.588 -4.405 155 HB3 PHE 22 HB1 PHE 22 14.372 10.873 -5.962 156 HD1 PHE 22 HD1 PHE 22 13.272 10.828 -2.376 157 HD2 PHE 22 HD2 PHE 22 12.095 10.550 -6.499 158 HE1 PHE 22 HE1 PHE 22 10.896 10.719 -1.692 159 HE2 PHE 22 HE2 PHE 22 9.715 10.444 -5.811 160 HZ PHE 22 HZ PHE 22 9.109 10.529 -3.403 161 H VAL 23 HN VAL 23 13.436 9.389 -6.487 162 HA VAL 23 HA VAL 23 14.647 6.977 -7.686 163 HB VAL 23 HB VAL 23 13.046 5.988 -6.186 164 HG11 VAL 23 HG11 VAL 23 10.669 6.686 -6.270 165 HG12 VAL 23 HG12 VAL 23 11.107 7.968 -7.400 166 HG13 VAL 23 HG13 VAL 23 11.732 7.994 -5.751 167 HG21 VAL 23 HG21 VAL 23 11.623 6.112 -8.854 168 HG22 VAL 23 HG22 VAL 23 11.727 4.755 -7.734 169 HG23 VAL 23 HG23 VAL 23 13.146 5.244 -8.658 170 H ASN 24 HN ASN 24 13.640 6.512 -9.824 171 HA ASN 24 HA ASN 24 12.502 8.963 -11.133 172 HB2 ASN 24 HB2 ASN 24 14.712 7.089 -11.969 173 HB3 ASN 24 HB1 ASN 24 13.740 7.876 -13.205 174 HD21 ASN 24 HD21 ASN 24 13.884 9.866 -10.464 175 HD22 ASN 24 HD22 ASN 24 15.141 10.885 -10.969 176 H GLN 25 HN GLN 25 10.490 7.742 -10.435 177 HA GLN 25 HA GLN 25 9.787 5.603 -12.425 178 HB2 GLN 25 HB2 GLN 25 9.235 5.947 -9.498 179 HB3 GLN 25 HB1 GLN 25 7.978 5.188 -10.461 180 HG2 GLN 25 HG2 GLN 25 9.656 3.542 -11.295 181 HG3 GLN 25 HG1 GLN 25 10.869 4.284 -10.252 182 HE21 GLN 25 HE21 GLN 25 8.053 4.602 -8.545 183 HE22 GLN 25 HE22 GLN 25 8.102 3.169 -7.636 184 H HIS 26 HN HIS 26 7.381 5.535 -12.815 185 HA HIS 26 HA HIS 26 6.388 8.280 -13.352 186 HB2 HIS 26 HB2 HIS 26 5.667 5.504 -14.300 187 HB3 HIS 26 HB1 HIS 26 4.493 6.808 -14.464 188 HD2 HIS 26 HD2 HIS 26 8.190 6.051 -15.729 189 HE1 HIS 26 HE1 HIS 26 6.422 8.932 -18.261 190 HE2 HIS 26 HE2 HIS 26 8.474 7.480 -17.883 191 H LEU 27 HN LEU 27 5.794 8.912 -11.242 192 HA LEU 27 HA LEU 27 4.087 7.188 -9.609 193 HB2 LEU 27 HB2 LEU 27 4.628 10.124 -9.128 194 HB3 LEU 27 HB1 LEU 27 4.214 8.867 -7.978 195 HG LEU 27 HG LEU 27 6.780 8.759 -9.560 196 HD11 LEU 27 HD11 LEU 27 6.233 10.040 -6.870 197 HD12 LEU 27 HD12 LEU 27 6.840 10.841 -8.320 198 HD13 LEU 27 HD13 LEU 27 7.846 9.663 -7.476 199 HD21 LEU 27 HD21 LEU 27 7.439 7.326 -7.614 200 HD22 LEU 27 HD22 LEU 27 6.082 6.661 -8.520 201 HD23 LEU 27 HD23 LEU 27 5.800 7.482 -6.985 202 H CYS 28 HN CYS 28 1.881 7.389 -9.298 203 HA CYS 28 HA CYS 28 0.476 9.678 -10.585 204 HB2 CYS 28 HB2 CYS 28 -0.352 6.795 -11.005 205 HB3 CYS 28 HB1 CYS 28 -1.095 8.228 -11.716 206 H GLY 29 HN GLY 29 -0.886 10.516 -9.181 207 HA2 GLY 29 HA2 GLY 29 -2.036 10.773 -7.142 208 HA3 GLY 29 HA1 GLY 29 -2.946 9.425 -7.796 209 H SER 30 HN SER 30 -2.967 7.585 -6.612 210 HA SER 30 HA SER 30 -2.138 7.291 -4.039 211 HB2 SER 30 HB2 SER 30 -1.999 5.065 -6.086 212 HB3 SER 30 HB1 SER 30 -2.157 4.863 -4.343 213 HG SER 30 HG SER 30 -4.074 5.195 -6.116 214 H ASP 31 HN ASP 31 -0.082 6.136 -6.753 215 HA ASP 31 HA ASP 31 2.137 5.558 -5.018 216 HB2 ASP 31 HB2 ASP 31 2.493 6.229 -7.935 217 HB3 ASP 31 HB1 ASP 31 3.314 5.008 -6.966 218 H LEU 32 HN LEU 32 1.109 8.415 -6.755 219 HA LEU 32 HA LEU 32 3.600 9.878 -6.262 220 HB2 LEU 32 HB2 LEU 32 2.406 10.383 -8.278 221 HB3 LEU 32 HB1 LEU 32 0.893 10.571 -7.404 222 HG LEU 32 HG LEU 32 1.712 12.619 -6.339 223 HD11 LEU 32 HD11 LEU 32 4.020 13.388 -7.614 224 HD12 LEU 32 HD12 LEU 32 4.316 11.676 -7.444 225 HD13 LEU 32 HD13 LEU 32 3.980 12.652 -6.019 226 HD21 LEU 32 HD21 LEU 32 2.409 12.963 -9.237 227 HD22 LEU 32 HD22 LEU 32 1.354 13.926 -8.219 228 HD23 LEU 32 HD23 LEU 32 0.796 12.389 -8.846 229 H VAL 33 HN VAL 33 0.247 10.469 -5.281 230 HA VAL 33 HA VAL 33 0.546 12.398 -3.356 231 HB VAL 33 HB VAL 33 -1.124 9.872 -3.311 232 HG11 VAL 33 HG11 VAL 33 -1.129 10.325 -1.032 233 HG12 VAL 33 HG12 VAL 33 -2.459 11.358 -1.556 234 HG13 VAL 33 HG13 VAL 33 -0.864 12.046 -1.270 235 HG21 VAL 33 HG21 VAL 33 -2.895 11.309 -4.034 236 HG22 VAL 33 HG22 VAL 33 -1.495 11.683 -5.039 237 HG23 VAL 33 HG23 VAL 33 -1.937 12.753 -3.709 238 H GLU 34 HN GLU 34 0.764 8.910 -2.729 239 HA GLU 34 HA GLU 34 1.741 9.063 -0.078 240 HB2 GLU 34 HB2 GLU 34 2.143 7.034 -2.281 241 HB3 GLU 34 HB1 GLU 34 2.921 6.830 -0.711 242 HG2 GLU 34 HG2 GLU 34 -0.049 7.320 -1.009 243 HG3 GLU 34 HG1 GLU 34 0.653 5.707 -0.962 244 H ALA 35 HN ALA 35 3.419 9.233 -3.191 245 HA ALA 35 HA ALA 35 6.096 9.351 -2.187 246 HB1 ALA 35 HB1 ALA 35 6.722 10.040 -4.337 247 HB2 ALA 35 HB2 ALA 35 5.269 11.011 -4.574 248 HB3 ALA 35 HB3 ALA 35 5.189 9.258 -4.685 249 H LEU 36 HN LEU 36 3.530 11.806 -2.513 250 HA LEU 36 HA LEU 36 5.324 13.937 -1.723 251 HB2 LEU 36 HB2 LEU 36 2.337 13.720 -1.867 252 HB3 LEU 36 HB1 LEU 36 3.160 15.186 -1.339 253 HG LEU 36 HG LEU 36 3.832 13.822 -3.966 254 HD11 LEU 36 HD11 LEU 36 2.295 16.056 -4.582 255 HD12 LEU 36 HD12 LEU 36 1.422 15.328 -3.259 256 HD13 LEU 36 HD13 LEU 36 1.790 14.380 -4.691 257 HD21 LEU 36 HD21 LEU 36 5.557 15.376 -3.431 258 HD22 LEU 36 HD22 LEU 36 4.438 16.520 -2.703 259 HD23 LEU 36 HD23 LEU 36 4.481 16.322 -4.449 260 H TYR 37 HN TYR 37 2.614 12.304 -0.044 261 HA TYR 37 HA TYR 37 2.942 13.353 2.525 262 HB2 TYR 37 HB2 TYR 37 1.178 11.720 1.906 263 HB3 TYR 37 HB1 TYR 37 2.403 10.449 1.827 264 HD1 TYR 37 HD2 TYR 37 3.678 9.813 3.872 265 HD2 TYR 37 HD1 TYR 37 0.359 12.520 3.991 266 HE1 TYR 37 HE2 TYR 37 3.522 9.502 6.328 267 HE2 TYR 37 HE1 TYR 37 0.199 12.223 6.445 268 HH TYR 37 HH TYR 37 1.527 11.520 8.305 269 H LEU 38 HN LEU 38 4.895 11.051 0.796 270 HA LEU 38 HA LEU 38 6.558 10.268 3.037 271 HB2 LEU 38 HB2 LEU 38 6.197 8.884 1.013 272 HB3 LEU 38 HB1 LEU 38 6.977 10.103 0.029 273 HG LEU 38 HG LEU 38 8.459 8.989 2.398 274 HD11 LEU 38 HD11 LEU 38 9.389 7.212 0.834 275 HD12 LEU 38 HD12 LEU 38 8.051 7.584 -0.253 276 HD13 LEU 38 HD13 LEU 38 7.726 6.952 1.361 277 HD21 LEU 38 HD21 LEU 38 9.711 10.673 1.320 278 HD22 LEU 38 HD22 LEU 38 9.168 10.188 -0.281 279 HD23 LEU 38 HD23 LEU 38 10.346 9.209 0.582 280 H VAL 39 HN VAL 39 6.857 12.435 0.251 281 HA VAL 39 HA VAL 39 9.432 13.528 1.046 282 HB VAL 39 HB VAL 39 7.334 14.284 -0.995 283 HG11 VAL 39 HG11 VAL 39 9.894 15.714 -0.347 284 HG12 VAL 39 HG12 VAL 39 8.266 16.390 -0.420 285 HG13 VAL 39 HG13 VAL 39 9.064 15.866 -1.894 286 HG21 VAL 39 HG21 VAL 39 8.577 12.362 -1.641 287 HG22 VAL 39 HG22 VAL 39 10.084 13.078 -1.111 288 HG23 VAL 39 HG23 VAL 39 9.263 13.708 -2.537 289 H CYS 40 HN CYS 40 6.226 15.038 0.761 290 HA CYS 40 HA CYS 40 6.899 17.404 2.213 291 HB2 CYS 40 HB2 CYS 40 4.183 16.169 1.808 292 HB3 CYS 40 HB1 CYS 40 4.541 17.871 2.025 293 H GLY 41 HN GLY 41 5.037 14.509 3.222 294 HA2 GLY 41 HA2 GLY 41 4.596 13.696 5.374 295 HA3 GLY 41 HA1 GLY 41 5.980 14.633 5.926 296 H GLU 42 HN GLU 42 5.465 16.152 7.398 297 HA GLU 42 HA GLU 42 2.774 16.767 8.119 298 HB2 GLU 42 HB2 GLU 42 4.571 16.955 9.737 299 HB3 GLU 42 HB1 GLU 42 5.362 18.196 8.766 300 HG2 GLU 42 HG2 GLU 42 3.643 19.781 9.189 301 HG3 GLU 42 HG1 GLU 42 2.543 18.543 9.796 302 H ARG 43 HN ARG 43 5.140 18.656 6.221 303 HA ARG 43 HA ARG 43 3.752 21.050 5.993 304 HB2 ARG 43 HB2 ARG 43 4.966 19.855 3.506 305 HB3 ARG 43 HB1 ARG 43 5.009 21.522 4.078 306 HG2 ARG 43 HG2 ARG 43 6.415 20.728 6.006 307 HG3 ARG 43 HG1 ARG 43 6.520 19.166 5.197 308 HD2 ARG 43 HD2 ARG 43 7.151 21.376 3.359 309 HD3 ARG 43 HD1 ARG 43 8.211 21.332 4.747 310 HE ARG 43 HE ARG 43 8.040 18.682 3.844 311 HH11 ARG 43 HH21 ARG 43 8.924 21.774 2.603 312 HH12 ARG 43 HH22 ARG 43 10.058 21.137 1.459 313 HH21 ARG 43 HH11 ARG 43 9.513 17.833 2.359 314 HH22 ARG 43 HH12 ARG 43 10.392 18.905 1.321 315 H GLY 44 HN GLY 44 2.701 17.960 4.818 316 HA2 GLY 44 HA2 GLY 44 0.645 17.438 3.751 317 HA3 GLY 44 HA1 GLY 44 0.201 19.146 3.884 318 H PHE 45 HN PHE 45 -0.497 18.409 1.451 319 HA PHE 45 HA PHE 45 1.495 19.682 -0.254 320 HB2 PHE 45 HB2 PHE 45 1.784 17.611 -1.702 321 HB3 PHE 45 HB1 PHE 45 2.588 17.587 -0.145 322 HD1 PHE 45 HD1 PHE 45 -0.299 16.317 -2.037 323 HD2 PHE 45 HD2 PHE 45 1.918 16.112 1.607 324 HE1 PHE 45 HE1 PHE 45 -1.516 14.237 -1.415 325 HE2 PHE 45 HE2 PHE 45 0.723 14.036 2.239 326 HZ PHE 45 HZ PHE 45 -0.991 13.101 0.730 327 H 23F 46 HN 23F 46 0.726 19.585 -2.782 328 HB 23F 46 HB 23F 46 -2.493 20.888 -4.534 329 HD1 23F 46 HD1 23F 46 0.798 21.442 -2.373 330 HD2 23F 46 HD2 23F 46 -2.347 23.257 -4.905 331 HE1 23F 46 HE1 23F 46 1.930 23.668 -2.225 332 HE2 23F 46 HE2 23F 46 -1.201 25.407 -4.727 333 HZ 23F 46 HZ 23F 46 0.939 25.672 -3.400 334 H TYR 47 HN TYR 47 -3.466 18.514 -2.256 335 HA TYR 47 HA TYR 47 -4.408 16.959 -4.446 336 HB2 TYR 47 HB2 TYR 47 -2.199 15.694 -3.064 337 HB3 TYR 47 HB1 TYR 47 -3.639 14.779 -2.697 338 HD1 TYR 47 HD2 TYR 47 -5.238 14.404 -4.819 339 HD2 TYR 47 HD1 TYR 47 -0.991 15.095 -5.007 340 HE1 TYR 47 HE2 TYR 47 -5.154 13.309 -7.041 341 HE2 TYR 47 HE1 TYR 47 -0.919 13.985 -7.219 342 HH TYR 47 HH TYR 47 -3.194 13.623 -9.175 343 H THR 48 HN THR 48 -6.241 18.067 -3.527 344 HA THR 48 HA THR 48 -7.140 17.290 -0.829 345 HB THR 48 HB THR 48 -9.018 18.813 -1.273 346 HG1 THR 48 HG1 THR 48 -7.847 18.979 -3.850 347 HG21 THR 48 HG21 THR 48 -6.396 19.981 -2.244 348 HG22 THR 48 HG22 THR 48 -6.816 19.730 -0.550 349 HG23 THR 48 HG23 THR 48 -7.738 20.873 -1.527 350 H LYS 49 HN LYS 49 -9.870 17.067 -1.151 351 HA LYS 49 HA LYS 49 -10.095 14.348 -2.109 352 HB2 LYS 49 HB2 LYS 49 -11.779 16.258 -0.634 353 HB3 LYS 49 HB1 LYS 49 -12.717 15.240 -1.720 354 HG2 LYS 49 HG2 LYS 49 -12.569 14.151 0.447 355 HG3 LYS 49 HG1 LYS 49 -11.596 13.235 -0.704 356 HD2 LYS 49 HD2 LYS 49 -9.558 14.103 0.157 357 HD3 LYS 49 HD1 LYS 49 -10.383 15.396 1.028 358 HE2 LYS 49 HE2 LYS 49 -9.644 13.540 2.528 359 HE3 LYS 49 HE1 LYS 49 -11.390 13.786 2.554 360 HZ1 LYS 49 HZ1 LYS 49 -11.758 11.908 1.277 361 HZ2 LYS 49 HZ2 LYS 49 -10.492 11.416 2.298 362 HZ3 LYS 49 HZ3 LYS 49 -10.168 11.856 0.690 363 HA PRO 50 HA PRO 50 -13.032 16.434 -5.458 364 HB2 PRO 50 HB2 PRO 50 -11.498 18.947 -5.834 365 HB3 PRO 50 HB1 PRO 50 -13.250 18.692 -5.854 366 HG2 PRO 50 HG2 PRO 50 -11.816 19.838 -3.735 367 HG3 PRO 50 HG1 PRO 50 -13.441 19.144 -3.615 368 HD2 PRO 50 HD2 PRO 50 -10.957 18.098 -2.500 369 HD3 PRO 50 HD1 PRO 50 -12.613 17.521 -2.265 370 H THR 51 HN THR 51 -9.740 17.820 -5.659 371 HA THR 51 HA THR 51 -9.281 16.547 -8.246 372 HB THR 51 HB THR 51 -7.050 17.577 -8.095 373 HG1 THR 51 HG1 THR 51 -7.416 18.938 -5.816 374 HG21 THR 51 HG21 THR 51 -8.731 19.067 -8.879 375 HG22 THR 51 HG22 THR 51 -7.840 19.972 -7.656 376 HG23 THR 51 HG23 THR 51 -9.409 19.269 -7.264 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -1.101 19.635 -10.200 2 H2 GLY 1 HT2 GLY 1 -1.843 18.838 -11.504 3 H3 GLY 1 HT3 GLY 1 -1.905 20.532 -11.396 4 HA2 GLY 1 HA2 GLY 1 -0.315 20.082 -13.110 5 HA3 GLY 1 HA1 GLY 1 0.592 20.420 -11.610 6 H ILE 2 HN ILE 2 0.599 18.660 -9.838 7 HA ILE 2 HA ILE 2 3.249 17.806 -10.546 8 HB ILE 2 HB ILE 2 2.639 18.098 -8.219 9 HG12 ILE 2 HG12 ILE 2 3.101 15.147 -8.814 10 HG13 ILE 2 HG11 ILE 2 4.344 16.381 -8.699 11 HG21 ILE 2 HG21 ILE 2 0.518 16.039 -8.835 12 HG22 ILE 2 HG22 ILE 2 0.315 17.652 -8.170 13 HG23 ILE 2 HG23 ILE 2 1.016 16.380 -7.182 14 HD11 ILE 2 HD11 ILE 2 4.424 15.520 -6.566 15 HD12 ILE 2 HD12 ILE 2 2.704 15.136 -6.557 16 HD13 ILE 2 HD13 ILE 2 3.233 16.798 -6.347 17 H VAL 3 HN VAL 3 0.082 16.331 -10.889 18 HA VAL 3 HA VAL 3 0.865 13.640 -11.273 19 HB VAL 3 HB VAL 3 -1.408 15.189 -12.545 20 HG11 VAL 3 HG11 VAL 3 -2.463 12.931 -12.708 21 HG12 VAL 3 HG12 VAL 3 -0.932 12.217 -12.207 22 HG13 VAL 3 HG13 VAL 3 -1.038 13.095 -13.733 23 HG21 VAL 3 HG21 VAL 3 -2.709 14.249 -10.663 24 HG22 VAL 3 HG22 VAL 3 -1.379 15.247 -10.075 25 HG23 VAL 3 HG23 VAL 3 -1.247 13.489 -10.035 26 H GLU 4 HN GLU 4 0.440 16.191 -13.766 27 HA GLU 4 HA GLU 4 1.071 14.664 -16.029 28 HB2 GLU 4 HB2 GLU 4 0.376 16.949 -16.288 29 HB3 GLU 4 HB1 GLU 4 1.762 17.537 -15.374 30 HG2 GLU 4 HG2 GLU 4 3.267 17.122 -17.117 31 HG3 GLU 4 HG1 GLU 4 2.227 15.916 -17.871 32 H GLN 5 HN GLN 5 3.486 16.686 -14.310 33 HA GLN 5 HA GLN 5 5.682 15.608 -15.708 34 HB2 GLN 5 HB2 GLN 5 5.604 16.815 -12.930 35 HB3 GLN 5 HB1 GLN 5 7.076 16.518 -13.852 36 HG2 GLN 5 HG2 GLN 5 6.611 18.769 -14.342 37 HG3 GLN 5 HG1 GLN 5 5.916 17.926 -15.721 38 HE21 GLN 5 HE21 GLN 5 4.824 18.732 -12.383 39 HE22 GLN 5 HE22 GLN 5 3.296 19.299 -12.858 40 H CYS 6 HN CYS 6 4.262 14.520 -12.627 41 HA CYS 6 HA CYS 6 6.338 12.466 -12.293 42 HB2 CYS 6 HB2 CYS 6 3.806 12.655 -10.695 43 HB3 CYS 6 HB1 CYS 6 5.398 12.132 -10.154 44 H CYS 7 HN CYS 7 2.817 12.427 -12.936 45 HA CYS 7 HA CYS 7 2.854 9.512 -13.216 46 HB2 CYS 7 HB2 CYS 7 0.918 10.806 -12.287 47 HB3 CYS 7 HB1 CYS 7 0.630 11.451 -13.898 48 H THR 8 HN THR 8 2.169 12.207 -15.515 49 HA THR 8 HA THR 8 2.138 10.403 -17.783 50 HB THR 8 HB THR 8 2.724 13.364 -17.957 51 HG1 THR 8 HG1 THR 8 0.935 12.880 -16.519 52 HG21 THR 8 HG21 THR 8 1.118 11.475 -19.688 53 HG22 THR 8 HG22 THR 8 2.775 11.986 -20.014 54 HG23 THR 8 HG23 THR 8 1.466 13.168 -20.036 55 H SER 9 HN SER 9 4.586 12.183 -16.076 56 HA SER 9 HA SER 9 6.689 10.939 -17.799 57 HB2 SER 9 HB2 SER 9 6.577 13.812 -16.856 58 HB3 SER 9 HB1 SER 9 8.006 13.066 -17.543 59 HG SER 9 HG SER 9 7.170 13.401 -19.432 60 H ILE 10 HN ILE 10 8.895 11.202 -16.488 61 HA ILE 10 HA ILE 10 8.279 10.264 -13.750 62 HB ILE 10 HB ILE 10 10.983 10.519 -15.105 63 HG12 ILE 10 HG12 ILE 10 8.897 8.323 -15.054 64 HG13 ILE 10 HG11 ILE 10 9.768 8.976 -16.438 65 HG21 ILE 10 HG21 ILE 10 10.154 8.771 -12.768 66 HG22 ILE 10 HG22 ILE 10 10.850 10.373 -12.543 67 HG23 ILE 10 HG23 ILE 10 11.788 9.112 -13.331 68 HD11 ILE 10 HD11 ILE 10 10.730 7.054 -14.333 69 HD12 ILE 10 HD12 ILE 10 11.893 8.045 -15.214 70 HD13 ILE 10 HD13 ILE 10 10.848 6.924 -16.087 71 H CYS 11 HN CYS 11 8.392 11.561 -12.009 72 HA CYS 11 HA CYS 11 9.316 14.347 -12.346 73 HB2 CYS 11 HB2 CYS 11 7.621 12.852 -10.409 74 HB3 CYS 11 HB1 CYS 11 8.525 14.201 -9.736 75 H SER 12 HN SER 12 10.256 15.075 -10.019 76 HA SER 12 HA SER 12 12.472 13.262 -9.217 77 HB2 SER 12 HB2 SER 12 13.507 15.918 -9.208 78 HB3 SER 12 HB1 SER 12 13.999 14.599 -10.261 79 HG SER 12 HG SER 12 11.632 15.945 -10.868 80 H LEU 13 HN LEU 13 13.147 13.680 -7.070 81 HA LEU 13 HA LEU 13 11.303 14.184 -5.095 82 HB2 LEU 13 HB2 LEU 13 13.506 13.378 -4.558 83 HB3 LEU 13 HB1 LEU 13 14.262 14.824 -5.210 84 HG LEU 13 HG LEU 13 13.434 16.173 -3.411 85 HD11 LEU 13 HD11 LEU 13 12.023 14.974 -1.597 86 HD12 LEU 13 HD12 LEU 13 11.735 13.749 -2.833 87 HD13 LEU 13 HD13 LEU 13 11.213 15.408 -3.100 88 HD21 LEU 13 HD21 LEU 13 15.383 14.689 -2.925 89 HD22 LEU 13 HD22 LEU 13 14.263 13.521 -2.222 90 HD23 LEU 13 HD23 LEU 13 14.451 15.115 -1.490 91 H TYR 14 HN TYR 14 13.664 16.536 -6.179 92 HA TYR 14 HA TYR 14 12.777 18.840 -4.895 93 HB2 TYR 14 HB2 TYR 14 13.638 18.982 -7.770 94 HB3 TYR 14 HB1 TYR 14 14.072 20.038 -6.429 95 HD1 TYR 14 HD1 TYR 14 15.324 18.861 -4.401 96 HD2 TYR 14 HD2 TYR 14 15.134 17.336 -8.386 97 HE1 TYR 14 HE1 TYR 14 17.325 17.460 -3.957 98 HE2 TYR 14 HE2 TYR 14 17.118 15.932 -7.967 99 HH TYR 14 HH TYR 14 18.862 16.113 -4.866 100 H GLN 15 HN GLN 15 11.651 17.518 -7.981 101 HA GLN 15 HA GLN 15 9.654 19.567 -8.400 102 HB2 GLN 15 HB2 GLN 15 9.885 16.727 -9.423 103 HB3 GLN 15 HB1 GLN 15 8.564 17.796 -9.873 104 HG2 GLN 15 HG2 GLN 15 10.332 19.466 -10.612 105 HG3 GLN 15 HG1 GLN 15 11.513 18.174 -10.416 106 HE21 GLN 15 HE21 GLN 15 8.188 18.266 -11.725 107 HE22 GLN 15 HE22 GLN 15 8.589 17.543 -13.200 108 H LEU 16 HN LEU 16 9.780 16.569 -6.548 109 HA LEU 16 HA LEU 16 6.930 16.622 -5.960 110 HB2 LEU 16 HB2 LEU 16 9.216 14.964 -5.169 111 HB3 LEU 16 HB1 LEU 16 8.080 15.202 -3.859 112 HG LEU 16 HG LEU 16 6.247 14.471 -5.416 113 HD11 LEU 16 HD11 LEU 16 8.614 13.760 -7.150 114 HD12 LEU 16 HD12 LEU 16 7.356 14.937 -7.528 115 HD13 LEU 16 HD13 LEU 16 6.959 13.221 -7.430 116 HD21 LEU 16 HD21 LEU 16 7.147 12.021 -5.471 117 HD22 LEU 16 HD22 LEU 16 6.924 12.809 -3.911 118 HD23 LEU 16 HD23 LEU 16 8.537 12.686 -4.616 119 H GLU 17 HN GLU 17 9.844 17.860 -4.507 120 HA GLU 17 HA GLU 17 8.747 18.647 -2.034 121 HB2 GLU 17 HB2 GLU 17 10.993 19.869 -3.629 122 HB3 GLU 17 HB1 GLU 17 10.640 20.186 -1.944 123 HG2 GLU 17 HG2 GLU 17 10.804 17.542 -1.746 124 HG3 GLU 17 HG1 GLU 17 11.762 17.707 -3.194 125 H ASN 18 HN ASN 18 8.961 20.218 -5.114 126 HA ASN 18 HA ASN 18 8.272 22.851 -4.539 127 HB2 ASN 18 HB2 ASN 18 7.923 20.999 -6.822 128 HB3 ASN 18 HB1 ASN 18 6.812 22.352 -6.831 129 HD21 ASN 18 HD21 ASN 18 9.754 21.459 -8.029 130 HD22 ASN 18 HD22 ASN 18 10.507 22.975 -8.130 131 H TYR 19 HN TYR 19 6.190 20.069 -4.731 132 HA TYR 19 HA TYR 19 3.753 21.653 -4.331 133 HB2 TYR 19 HB2 TYR 19 4.075 18.662 -4.370 134 HB3 TYR 19 HB1 TYR 19 2.617 19.582 -4.705 135 HD1 TYR 19 HD1 TYR 19 3.036 21.519 -6.544 136 HD2 TYR 19 HD2 TYR 19 5.226 17.879 -6.237 137 HE1 TYR 19 HE1 TYR 19 3.692 21.740 -8.924 138 HE2 TYR 19 HE2 TYR 19 5.925 18.086 -8.617 139 HH TYR 19 HH TYR 19 4.573 20.591 -10.695 140 H CYS 20 HN CYS 20 6.031 20.688 -2.086 141 HA CYS 20 HA CYS 20 4.175 19.567 -0.140 142 HB2 CYS 20 HB2 CYS 20 6.832 20.857 0.382 143 HB3 CYS 20 HB1 CYS 20 5.940 19.840 1.442 144 H ASN 21 HN ASN 21 2.577 21.330 -0.534 145 HA ASN 21 HA ASN 21 1.471 23.281 0.153 146 HB2 ASN 21 HB2 ASN 21 1.688 22.081 2.303 147 HB3 ASN 21 HB1 ASN 21 3.248 22.850 2.566 148 HD21 ASN 21 HD21 ASN 21 0.011 24.056 1.492 149 HD22 ASN 21 HD22 ASN 21 -0.040 25.337 2.604 150 H1 PHE 22 HT1 PHE 22 16.876 8.659 -3.996 151 H2 PHE 22 HT2 PHE 22 16.560 10.267 -3.546 152 H3 PHE 22 HT3 PHE 22 16.805 9.871 -5.180 153 HA PHE 22 HA PHE 22 14.528 9.007 -3.485 154 HB2 PHE 22 HB2 PHE 22 14.762 11.440 -4.460 155 HB3 PHE 22 HB1 PHE 22 14.362 10.677 -5.995 156 HD1 PHE 22 HD1 PHE 22 13.201 10.751 -2.423 157 HD2 PHE 22 HD2 PHE 22 12.088 10.449 -6.564 158 HE1 PHE 22 HE1 PHE 22 10.807 10.746 -1.782 159 HE2 PHE 22 HE2 PHE 22 9.695 10.445 -5.919 160 HZ PHE 22 HZ PHE 22 9.054 10.595 -3.527 161 H VAL 23 HN VAL 23 13.332 9.196 -6.428 162 HA VAL 23 HA VAL 23 14.475 6.718 -7.565 163 HB VAL 23 HB VAL 23 12.837 5.838 -6.027 164 HG11 VAL 23 HG11 VAL 23 11.579 7.912 -5.701 165 HG12 VAL 23 HG12 VAL 23 10.489 6.599 -6.142 166 HG13 VAL 23 HG13 VAL 23 10.950 7.804 -7.344 167 HG21 VAL 23 HG21 VAL 23 11.511 4.574 -7.536 168 HG22 VAL 23 HG22 VAL 23 12.939 5.003 -8.475 169 HG23 VAL 23 HG23 VAL 23 11.432 5.891 -8.706 170 H ASN 24 HN ASN 24 13.434 6.226 -9.691 171 HA ASN 24 HA ASN 24 12.385 8.686 -11.056 172 HB2 ASN 24 HB2 ASN 24 14.458 6.659 -11.915 173 HB3 ASN 24 HB1 ASN 24 13.569 7.607 -13.104 174 HD21 ASN 24 HD21 ASN 24 13.694 10.066 -12.786 175 HD22 ASN 24 HD22 ASN 24 15.129 10.710 -12.149 176 H GLN 25 HN GLN 25 10.329 7.520 -10.304 177 HA GLN 25 HA GLN 25 9.557 5.368 -12.254 178 HB2 GLN 25 HB2 GLN 25 9.053 5.768 -9.326 179 HB3 GLN 25 HB1 GLN 25 7.774 5.009 -10.260 180 HG2 GLN 25 HG2 GLN 25 9.389 3.311 -11.069 181 HG3 GLN 25 HG1 GLN 25 10.661 4.075 -10.114 182 HE21 GLN 25 HE21 GLN 25 8.489 4.668 -7.975 183 HE22 GLN 25 HE22 GLN 25 8.332 3.192 -7.154 184 H HIS 26 HN HIS 26 7.138 5.322 -12.588 185 HA HIS 26 HA HIS 26 6.172 8.064 -13.183 186 HB2 HIS 26 HB2 HIS 26 5.410 5.274 -14.044 187 HB3 HIS 26 HB1 HIS 26 4.227 6.569 -14.200 188 HD2 HIS 26 HD2 HIS 26 7.790 5.650 -15.672 189 HE1 HIS 26 HE1 HIS 26 6.084 8.706 -18.037 190 HE2 HIS 26 HE2 HIS 26 8.041 7.096 -17.818 191 H LEU 27 HN LEU 27 5.600 8.786 -11.104 192 HA LEU 27 HA LEU 27 3.903 7.126 -9.382 193 HB2 LEU 27 HB2 LEU 27 4.522 10.057 -8.974 194 HB3 LEU 27 HB1 LEU 27 4.124 8.828 -7.786 195 HG LEU 27 HG LEU 27 6.635 8.641 -9.449 196 HD11 LEU 27 HD11 LEU 27 6.677 10.774 -8.221 197 HD12 LEU 27 HD12 LEU 27 7.820 9.626 -7.523 198 HD13 LEU 27 HD13 LEU 27 6.274 9.925 -6.728 199 HD21 LEU 27 HD21 LEU 27 5.734 7.454 -6.804 200 HD22 LEU 27 HD22 LEU 27 7.336 7.234 -7.508 201 HD23 LEU 27 HD23 LEU 27 5.917 6.586 -8.329 202 H CYS 28 HN CYS 28 1.699 7.417 -9.010 203 HA CYS 28 HA CYS 28 0.345 9.715 -10.334 204 HB2 CYS 28 HB2 CYS 28 -0.562 6.846 -10.694 205 HB3 CYS 28 HB1 CYS 28 -1.293 8.285 -11.407 206 H GLY 29 HN GLY 29 -0.989 10.618 -8.933 207 HA2 GLY 29 HA2 GLY 29 -2.126 10.942 -6.894 208 HA3 GLY 29 HA1 GLY 29 -3.068 9.601 -7.518 209 H SER 30 HN SER 30 -3.068 7.732 -6.369 210 HA SER 30 HA SER 30 -2.308 7.448 -3.773 211 HB2 SER 30 HB2 SER 30 -2.581 5.130 -3.996 212 HB3 SER 30 HB1 SER 30 -3.484 5.761 -5.370 213 HG SER 30 HG SER 30 -1.493 5.470 -6.585 214 H ASP 31 HN ASP 31 -0.181 6.185 -6.381 215 HA ASP 31 HA ASP 31 2.016 5.720 -4.607 216 HB2 ASP 31 HB2 ASP 31 2.376 6.353 -7.536 217 HB3 ASP 31 HB1 ASP 31 3.259 5.203 -6.533 218 H LEU 32 HN LEU 32 1.216 8.449 -6.729 219 HA LEU 32 HA LEU 32 3.569 9.995 -6.157 220 HB2 LEU 32 HB2 LEU 32 2.261 10.458 -8.125 221 HB3 LEU 32 HB1 LEU 32 0.805 10.688 -7.168 222 HG LEU 32 HG LEU 32 1.716 12.727 -6.182 223 HD11 LEU 32 HD11 LEU 32 4.243 11.729 -7.430 224 HD12 LEU 32 HD12 LEU 32 4.004 12.651 -5.954 225 HD13 LEU 32 HD13 LEU 32 3.978 13.454 -7.513 226 HD21 LEU 32 HD21 LEU 32 0.698 12.484 -8.654 227 HD22 LEU 32 HD22 LEU 32 2.299 13.035 -9.108 228 HD23 LEU 32 HD23 LEU 32 1.298 14.021 -8.057 229 H VAL 33 HN VAL 33 0.252 10.596 -5.070 230 HA VAL 33 HA VAL 33 0.629 12.515 -3.155 231 HB VAL 33 HB VAL 33 -1.055 10.002 -3.037 232 HG11 VAL 33 HG11 VAL 33 -0.710 12.197 -1.036 233 HG12 VAL 33 HG12 VAL 33 -1.021 10.490 -0.770 234 HG13 VAL 33 HG13 VAL 33 -2.331 11.554 -1.279 235 HG21 VAL 33 HG21 VAL 33 -2.835 11.442 -3.742 236 HG22 VAL 33 HG22 VAL 33 -1.457 11.772 -4.794 237 HG23 VAL 33 HG23 VAL 33 -1.849 12.880 -3.480 238 H GLU 34 HN GLU 34 0.828 9.026 -2.521 239 HA GLU 34 HA GLU 34 1.894 9.193 0.098 240 HB2 GLU 34 HB2 GLU 34 2.297 7.123 -2.085 241 HB3 GLU 34 HB1 GLU 34 2.936 6.922 -0.452 242 HG2 GLU 34 HG2 GLU 34 0.644 7.184 0.461 243 HG3 GLU 34 HG1 GLU 34 0.019 7.320 -1.183 244 H ALA 35 HN ALA 35 3.450 9.310 -3.077 245 HA ALA 35 HA ALA 35 6.169 9.378 -2.180 246 HB1 ALA 35 HB1 ALA 35 5.270 11.030 -4.549 247 HB2 ALA 35 HB2 ALA 35 5.167 9.275 -4.639 248 HB3 ALA 35 HB3 ALA 35 6.720 10.045 -4.360 249 H LEU 36 HN LEU 36 3.637 11.876 -2.416 250 HA LEU 36 HA LEU 36 5.500 13.982 -1.717 251 HB2 LEU 36 HB2 LEU 36 2.507 13.812 -1.759 252 HB3 LEU 36 HB1 LEU 36 3.366 15.266 -1.255 253 HG LEU 36 HG LEU 36 3.935 13.899 -3.904 254 HD11 LEU 36 HD11 LEU 36 2.410 16.153 -4.470 255 HD12 LEU 36 HD12 LEU 36 1.572 15.444 -3.114 256 HD13 LEU 36 HD13 LEU 36 1.873 14.485 -4.555 257 HD21 LEU 36 HD21 LEU 36 4.607 16.593 -2.661 258 HD22 LEU 36 HD22 LEU 36 4.607 16.385 -4.407 259 HD23 LEU 36 HD23 LEU 36 5.695 15.431 -3.413 260 H TYR 37 HN TYR 37 2.827 12.405 0.064 261 HA TYR 37 HA TYR 37 3.251 13.465 2.613 262 HB2 TYR 37 HB2 TYR 37 1.448 11.850 2.060 263 HB3 TYR 37 HB1 TYR 37 2.654 10.564 1.950 264 HD1 TYR 37 HD2 TYR 37 3.998 9.936 3.958 265 HD2 TYR 37 HD1 TYR 37 0.696 12.660 4.163 266 HE1 TYR 37 HE2 TYR 37 3.919 9.643 6.420 267 HE2 TYR 37 HE1 TYR 37 0.613 12.381 6.624 268 HH TYR 37 HH TYR 37 3.110 10.891 8.390 269 H LEU 38 HN LEU 38 5.114 11.134 0.829 270 HA LEU 38 HA LEU 38 6.843 10.320 3.007 271 HB2 LEU 38 HB2 LEU 38 6.365 8.994 0.932 272 HB3 LEU 38 HB1 LEU 38 7.232 10.193 -0.006 273 HG LEU 38 HG LEU 38 8.695 9.053 2.336 274 HD11 LEU 38 HD11 LEU 38 8.104 7.466 -0.177 275 HD12 LEU 38 HD12 LEU 38 7.694 7.016 1.479 276 HD13 LEU 38 HD13 LEU 38 9.382 7.061 0.968 277 HD21 LEU 38 HD21 LEU 38 9.494 10.714 0.408 278 HD22 LEU 38 HD22 LEU 38 9.742 9.215 -0.478 279 HD23 LEU 38 HD23 LEU 38 10.588 9.489 1.043 280 H VAL 39 HN VAL 39 7.085 12.495 0.221 281 HA VAL 39 HA VAL 39 9.696 13.555 0.933 282 HB VAL 39 HB VAL 39 7.537 14.335 -1.034 283 HG11 VAL 39 HG11 VAL 39 9.265 15.884 -2.001 284 HG12 VAL 39 HG12 VAL 39 10.136 15.730 -0.476 285 HG13 VAL 39 HG13 VAL 39 8.518 16.427 -0.506 286 HG21 VAL 39 HG21 VAL 39 8.717 12.394 -1.729 287 HG22 VAL 39 HG22 VAL 39 10.257 13.072 -1.243 288 HG23 VAL 39 HG23 VAL 39 9.409 13.725 -2.642 289 H CYS 40 HN CYS 40 6.499 15.104 0.742 290 HA CYS 40 HA CYS 40 7.249 17.461 2.171 291 HB2 CYS 40 HB2 CYS 40 4.503 16.267 1.859 292 HB3 CYS 40 HB1 CYS 40 4.897 17.964 2.054 293 H GLY 41 HN GLY 41 5.384 14.588 3.238 294 HA2 GLY 41 HA2 GLY 41 4.985 13.789 5.403 295 HA3 GLY 41 HA1 GLY 41 6.423 14.673 5.901 296 H GLU 42 HN GLU 42 6.029 16.205 7.393 297 HA GLU 42 HA GLU 42 3.405 16.905 8.251 298 HB2 GLU 42 HB2 GLU 42 5.293 17.049 9.764 299 HB3 GLU 42 HB1 GLU 42 6.064 18.264 8.744 300 HG2 GLU 42 HG2 GLU 42 4.401 19.893 9.246 301 HG3 GLU 42 HG1 GLU 42 3.323 18.685 9.944 302 H ARG 43 HN ARG 43 5.708 18.726 6.209 303 HA ARG 43 HA ARG 43 4.357 21.152 6.058 304 HB2 ARG 43 HB2 ARG 43 5.436 19.943 3.516 305 HB3 ARG 43 HB1 ARG 43 5.534 21.606 4.090 306 HG2 ARG 43 HG2 ARG 43 7.007 20.777 5.956 307 HG3 ARG 43 HG1 ARG 43 7.055 19.222 5.129 308 HD2 ARG 43 HD2 ARG 43 7.641 21.454 3.294 309 HD3 ARG 43 HD1 ARG 43 8.763 21.357 4.630 310 HE ARG 43 HE ARG 43 8.501 18.732 3.689 311 HH11 ARG 43 HH21 ARG 43 9.371 21.832 2.456 312 HH12 ARG 43 HH22 ARG 43 10.428 21.199 1.239 313 HH21 ARG 43 HH11 ARG 43 9.874 17.887 2.105 314 HH22 ARG 43 HH12 ARG 43 10.712 18.965 1.040 315 H GLY 44 HN GLY 44 3.211 18.085 4.887 316 HA2 GLY 44 HA2 GLY 44 1.085 17.612 3.930 317 HA3 GLY 44 HA1 GLY 44 0.688 19.331 4.081 318 H PHE 45 HN PHE 45 -0.124 18.545 1.674 319 HA PHE 45 HA PHE 45 1.808 19.803 -0.118 320 HB2 PHE 45 HB2 PHE 45 2.002 17.731 -1.574 321 HB3 PHE 45 HB1 PHE 45 2.868 17.690 -0.051 322 HD1 PHE 45 HD1 PHE 45 -0.101 16.459 -1.837 323 HD2 PHE 45 HD2 PHE 45 2.231 16.236 1.734 324 HE1 PHE 45 HE1 PHE 45 -1.325 14.399 -1.168 325 HE2 PHE 45 HE2 PHE 45 1.029 14.180 2.412 326 HZ PHE 45 HZ PHE 45 -0.746 13.263 0.964 327 H 23F 46 HN 23F 46 0.942 19.675 -2.618 328 HB 23F 46 HB 23F 46 -2.320 21.056 -4.237 329 HD1 23F 46 HD1 23F 46 1.055 21.552 -2.194 330 HD2 23F 46 HD2 23F 46 -2.142 23.420 -4.619 331 HE1 23F 46 HE1 23F 46 2.242 23.753 -2.104 332 HE2 23F 46 HE2 23F 46 -0.944 25.545 -4.499 333 HZ 23F 46 HZ 23F 46 1.250 25.771 -3.256 334 H TYR 47 HN TYR 47 -3.264 18.673 -1.949 335 HA TYR 47 HA TYR 47 -4.257 17.134 -4.138 336 HB2 TYR 47 HB2 TYR 47 -2.034 15.851 -2.819 337 HB3 TYR 47 HB1 TYR 47 -3.469 14.957 -2.383 338 HD1 TYR 47 HD2 TYR 47 -5.151 14.555 -4.428 339 HD2 TYR 47 HD1 TYR 47 -0.914 15.235 -4.807 340 HE1 TYR 47 HE2 TYR 47 -5.164 13.434 -6.638 341 HE2 TYR 47 HE1 TYR 47 -0.939 14.102 -7.009 342 HH TYR 47 HH TYR 47 -3.304 12.151 -8.056 343 H THR 48 HN THR 48 -6.233 17.906 -3.390 344 HA THR 48 HA THR 48 -7.376 16.449 -1.093 345 HB THR 48 HB THR 48 -8.237 18.577 -0.073 346 HG1 THR 48 HG1 THR 48 -7.347 20.491 -0.745 347 HG21 THR 48 HG21 THR 48 -5.218 18.574 -0.201 348 HG22 THR 48 HG22 THR 48 -6.126 17.342 0.677 349 HG23 THR 48 HG23 THR 48 -6.247 19.036 1.155 350 H LYS 49 HN LYS 49 -9.162 15.622 -2.062 351 HA LYS 49 HA LYS 49 -11.049 15.475 -3.463 352 HB2 LYS 49 HB2 LYS 49 -11.439 18.381 -2.757 353 HB3 LYS 49 HB1 LYS 49 -12.664 17.152 -3.070 354 HG2 LYS 49 HG2 LYS 49 -11.747 15.907 -1.036 355 HG3 LYS 49 HG1 LYS 49 -10.847 17.379 -0.666 356 HD2 LYS 49 HD2 LYS 49 -12.904 18.665 -0.524 357 HD3 LYS 49 HD1 LYS 49 -13.852 17.274 -1.050 358 HE2 LYS 49 HE2 LYS 49 -13.856 17.668 1.452 359 HE3 LYS 49 HE1 LYS 49 -13.332 16.058 0.960 360 HZ1 LYS 49 HZ1 LYS 49 -11.030 16.817 1.125 361 HZ2 LYS 49 HZ2 LYS 49 -11.842 16.959 2.610 362 HZ3 LYS 49 HZ3 LYS 49 -11.561 18.337 1.657 363 HA PRO 50 HA PRO 50 -8.674 17.658 -6.818 364 HB2 PRO 50 HB2 PRO 50 -9.216 15.144 -8.272 365 HB3 PRO 50 HB1 PRO 50 -7.671 15.969 -8.014 366 HG2 PRO 50 HG2 PRO 50 -8.422 13.627 -6.722 367 HG3 PRO 50 HG1 PRO 50 -7.223 14.774 -6.100 368 HD2 PRO 50 HD2 PRO 50 -9.997 14.298 -5.162 369 HD3 PRO 50 HD1 PRO 50 -8.636 15.035 -4.306 370 H THR 51 HN THR 51 -11.365 15.384 -7.428 371 HA THR 51 HA THR 51 -12.516 16.964 -9.540 372 HB THR 51 HB THR 51 -13.008 14.577 -9.350 373 HG1 THR 51 HG1 THR 51 -14.981 16.501 -9.251 374 HG21 THR 51 HG21 THR 51 -14.325 13.694 -7.495 375 HG22 THR 51 HG22 THR 51 -14.436 15.301 -6.777 376 HG23 THR 51 HG23 THR 51 -12.877 14.480 -6.865 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -0.441 19.163 -14.109 2 H2 GLY 1 HT2 GLY 1 0.195 20.591 -13.446 3 H3 GLY 1 HT3 GLY 1 -1.481 20.319 -13.427 4 HA2 GLY 1 HA2 GLY 1 -0.775 19.949 -11.184 5 HA3 GLY 1 HA1 GLY 1 -0.919 18.351 -11.969 6 H ILE 2 HN ILE 2 0.454 18.369 -9.765 7 HA ILE 2 HA ILE 2 3.074 17.582 -10.452 8 HB ILE 2 HB ILE 2 2.389 17.787 -8.132 9 HG12 ILE 2 HG12 ILE 2 3.100 14.894 -8.771 10 HG13 ILE 2 HG11 ILE 2 4.235 16.221 -8.609 11 HG21 ILE 2 HG21 ILE 2 0.104 17.152 -8.155 12 HG22 ILE 2 HG22 ILE 2 0.887 15.936 -7.158 13 HG23 ILE 2 HG23 ILE 2 0.459 15.567 -8.823 14 HD11 ILE 2 HD11 ILE 2 2.662 14.810 -6.522 15 HD12 ILE 2 HD12 ILE 2 3.054 16.506 -6.275 16 HD13 ILE 2 HD13 ILE 2 4.345 15.329 -6.491 17 H VAL 3 HN VAL 3 0.030 15.892 -10.892 18 HA VAL 3 HA VAL 3 1.026 13.274 -11.304 19 HB VAL 3 HB VAL 3 -1.352 14.671 -12.560 20 HG11 VAL 3 HG11 VAL 3 -0.651 11.735 -12.306 21 HG12 VAL 3 HG12 VAL 3 -0.812 12.645 -13.807 22 HG13 VAL 3 HG13 VAL 3 -2.227 12.345 -12.800 23 HG21 VAL 3 HG21 VAL 3 -1.477 14.702 -10.148 24 HG22 VAL 3 HG22 VAL 3 -0.965 13.017 -10.050 25 HG23 VAL 3 HG23 VAL 3 -2.549 13.421 -10.714 26 H GLU 4 HN GLU 4 0.420 15.824 -13.764 27 HA GLU 4 HA GLU 4 1.213 14.391 -16.040 28 HB2 GLU 4 HB2 GLU 4 0.328 16.611 -16.281 29 HB3 GLU 4 HB1 GLU 4 1.643 17.303 -15.333 30 HG2 GLU 4 HG2 GLU 4 3.208 17.044 -17.054 31 HG3 GLU 4 HG1 GLU 4 2.288 15.765 -17.842 32 H GLN 5 HN GLN 5 3.410 16.583 -14.245 33 HA GLN 5 HA GLN 5 5.721 15.741 -15.612 34 HB2 GLN 5 HB2 GLN 5 5.474 16.849 -12.804 35 HB3 GLN 5 HB1 GLN 5 6.982 16.735 -13.711 36 HG2 GLN 5 HG2 GLN 5 6.248 18.952 -14.100 37 HG3 GLN 5 HG1 GLN 5 5.759 18.080 -15.550 38 HE21 GLN 5 HE21 GLN 5 4.290 18.319 -12.275 39 HE22 GLN 5 HE22 GLN 5 2.763 18.811 -12.829 40 H CYS 6 HN CYS 6 4.361 14.467 -12.574 41 HA CYS 6 HA CYS 6 6.592 12.579 -12.260 42 HB2 CYS 6 HB2 CYS 6 4.036 12.541 -10.687 43 HB3 CYS 6 HB1 CYS 6 5.657 12.129 -10.136 44 H CYS 7 HN CYS 7 3.092 12.268 -12.947 45 HA CYS 7 HA CYS 7 3.360 9.372 -13.265 46 HB2 CYS 7 HB2 CYS 7 1.311 10.491 -12.365 47 HB3 CYS 7 HB1 CYS 7 1.008 11.144 -13.969 48 H THR 8 HN THR 8 2.523 12.039 -15.543 49 HA THR 8 HA THR 8 2.674 10.269 -17.834 50 HB THR 8 HB THR 8 3.019 13.269 -17.961 51 HG1 THR 8 HG1 THR 8 0.490 12.125 -18.056 52 HG21 THR 8 HG21 THR 8 3.219 11.920 -20.033 53 HG22 THR 8 HG22 THR 8 1.827 13.004 -20.067 54 HG23 THR 8 HG23 THR 8 1.599 11.285 -19.747 55 H SER 9 HN SER 9 4.931 12.275 -16.090 56 HA SER 9 HA SER 9 7.165 11.222 -17.784 57 HB2 SER 9 HB2 SER 9 6.793 14.049 -16.772 58 HB3 SER 9 HB1 SER 9 8.297 13.442 -17.436 59 HG SER 9 HG SER 9 6.022 12.983 -18.945 60 H ILE 10 HN ILE 10 9.316 11.635 -16.432 61 HA ILE 10 HA ILE 10 8.745 10.570 -13.733 62 HB ILE 10 HB ILE 10 11.437 11.105 -15.028 63 HG12 ILE 10 HG12 ILE 10 9.551 8.738 -15.096 64 HG13 ILE 10 HG11 ILE 10 10.407 9.499 -16.434 65 HG21 ILE 10 HG21 ILE 10 11.268 10.868 -12.474 66 HG22 ILE 10 HG22 ILE 10 12.335 9.727 -13.280 67 HG23 ILE 10 HG23 ILE 10 10.730 9.216 -12.764 68 HD11 ILE 10 HD11 ILE 10 12.561 8.708 -15.144 69 HD12 ILE 10 HD12 ILE 10 11.654 7.546 -16.111 70 HD13 ILE 10 HD13 ILE 10 11.448 7.586 -14.361 71 H CYS 11 HN CYS 11 8.775 11.803 -11.934 72 HA CYS 11 HA CYS 11 9.455 14.678 -12.190 73 HB2 CYS 11 HB2 CYS 11 7.820 13.005 -10.348 74 HB3 CYS 11 HB1 CYS 11 8.592 14.402 -9.615 75 H SER 12 HN SER 12 10.258 15.409 -9.816 76 HA SER 12 HA SER 12 12.559 13.735 -8.963 77 HB2 SER 12 HB2 SER 12 13.196 16.605 -9.007 78 HB3 SER 12 HB1 SER 12 14.134 15.252 -9.627 79 HG SER 12 HG SER 12 12.133 16.788 -10.872 80 H LEU 13 HN LEU 13 13.202 14.264 -6.813 81 HA LEU 13 HA LEU 13 11.258 14.569 -4.872 82 HB2 LEU 13 HB2 LEU 13 13.503 13.946 -4.289 83 HB3 LEU 13 HB1 LEU 13 14.157 15.447 -4.926 84 HG LEU 13 HG LEU 13 13.190 16.722 -3.139 85 HD11 LEU 13 HD11 LEU 13 11.681 14.165 -2.600 86 HD12 LEU 13 HD12 LEU 13 11.029 15.776 -2.877 87 HD13 LEU 13 HD13 LEU 13 11.842 15.407 -1.359 88 HD21 LEU 13 HD21 LEU 13 14.169 15.615 -1.155 89 HD22 LEU 13 HD22 LEU 13 15.237 15.520 -2.556 90 HD23 LEU 13 HD23 LEU 13 14.289 14.113 -2.072 91 H TYR 14 HN TYR 14 13.440 17.113 -5.893 92 HA TYR 14 HA TYR 14 12.349 19.334 -4.631 93 HB2 TYR 14 HB2 TYR 14 13.237 19.559 -7.490 94 HB3 TYR 14 HB1 TYR 14 13.583 20.627 -6.133 95 HD1 TYR 14 HD1 TYR 14 14.918 19.544 -4.119 96 HD2 TYR 14 HD2 TYR 14 14.828 18.000 -8.102 97 HE1 TYR 14 HE1 TYR 14 17.013 18.288 -3.676 98 HE2 TYR 14 HE2 TYR 14 16.910 16.740 -7.682 99 HH TYR 14 HH TYR 14 18.310 16.546 -4.466 100 H GLN 15 HN GLN 15 11.381 17.934 -7.735 101 HA GLN 15 HA GLN 15 9.241 19.820 -8.192 102 HB2 GLN 15 HB2 GLN 15 9.724 17.011 -9.211 103 HB3 GLN 15 HB1 GLN 15 8.334 17.974 -9.695 104 HG2 GLN 15 HG2 GLN 15 9.984 19.781 -10.386 105 HG3 GLN 15 HG1 GLN 15 11.257 18.584 -10.163 106 HE21 GLN 15 HE21 GLN 15 7.966 18.389 -11.542 107 HE22 GLN 15 HE22 GLN 15 8.461 17.720 -13.014 108 H LEU 16 HN LEU 16 9.570 16.832 -6.352 109 HA LEU 16 HA LEU 16 6.714 16.644 -5.823 110 HB2 LEU 16 HB2 LEU 16 9.117 15.182 -4.991 111 HB3 LEU 16 HB1 LEU 16 7.934 15.310 -3.707 112 HG LEU 16 HG LEU 16 6.210 14.435 -5.310 113 HD11 LEU 16 HD11 LEU 16 8.676 14.030 -7.001 114 HD12 LEU 16 HD12 LEU 16 7.252 14.991 -7.404 115 HD13 LEU 16 HD13 LEU 16 7.133 13.234 -7.305 116 HD21 LEU 16 HD21 LEU 16 8.627 12.859 -4.453 117 HD22 LEU 16 HD22 LEU 16 7.345 12.073 -5.370 118 HD23 LEU 16 HD23 LEU 16 6.983 12.816 -3.813 119 H GLU 17 HN GLU 17 9.484 18.123 -4.322 120 HA GLU 17 HA GLU 17 8.286 18.795 -1.860 121 HB2 GLU 17 HB2 GLU 17 10.454 20.202 -3.412 122 HB3 GLU 17 HB1 GLU 17 10.046 20.486 -1.733 123 HG2 GLU 17 HG2 GLU 17 10.420 17.866 -1.531 124 HG3 GLU 17 HG1 GLU 17 11.382 18.104 -2.964 125 H ASN 18 HN ASN 18 8.429 20.399 -4.927 126 HA ASN 18 HA ASN 18 7.514 22.964 -4.352 127 HB2 ASN 18 HB2 ASN 18 7.362 21.106 -6.653 128 HB3 ASN 18 HB1 ASN 18 6.149 22.368 -6.678 129 HD21 ASN 18 HD21 ASN 18 9.157 21.724 -7.845 130 HD22 ASN 18 HD22 ASN 18 9.798 23.294 -7.910 131 H TYR 19 HN TYR 19 5.667 20.026 -4.622 132 HA TYR 19 HA TYR 19 3.104 21.403 -4.266 133 HB2 TYR 19 HB2 TYR 19 3.669 18.446 -4.306 134 HB3 TYR 19 HB1 TYR 19 2.149 19.246 -4.670 135 HD1 TYR 19 HD1 TYR 19 2.448 21.221 -6.492 136 HD2 TYR 19 HD2 TYR 19 4.923 17.770 -6.151 137 HE1 TYR 19 HE1 TYR 19 3.139 21.510 -8.856 138 HE2 TYR 19 HE2 TYR 19 5.656 18.049 -8.512 139 HH TYR 19 HH TYR 19 5.783 19.823 -10.196 140 H CYS 20 HN CYS 20 5.407 20.591 -1.975 141 HA CYS 20 HA CYS 20 3.606 19.332 -0.070 142 HB2 CYS 20 HB2 CYS 20 6.132 20.840 0.510 143 HB3 CYS 20 HB1 CYS 20 5.307 19.749 1.550 144 H ASN 21 HN ASN 21 1.879 20.950 -0.506 145 HA ASN 21 HA ASN 21 0.595 22.800 0.148 146 HB2 ASN 21 HB2 ASN 21 0.857 21.613 2.301 147 HB3 ASN 21 HB1 ASN 21 2.334 22.519 2.610 148 HD21 ASN 21 HD21 ASN 21 0.687 23.054 4.577 149 HD22 ASN 21 HD22 ASN 21 -0.203 24.484 4.367 150 H1 PHE 22 HT1 PHE 22 17.409 9.968 -5.055 151 H2 PHE 22 HT2 PHE 22 17.145 10.296 -3.409 152 H3 PHE 22 HT3 PHE 22 16.916 11.516 -4.569 153 HA PHE 22 HA PHE 22 15.046 9.690 -3.585 154 HB2 PHE 22 HB2 PHE 22 14.980 12.192 -4.424 155 HB3 PHE 22 HB1 PHE 22 14.598 11.467 -5.982 156 HD1 PHE 22 HD1 PHE 22 13.568 11.385 -2.378 157 HD2 PHE 22 HD2 PHE 22 12.362 10.871 -6.470 158 HE1 PHE 22 HE1 PHE 22 11.218 11.099 -1.653 159 HE2 PHE 22 HE2 PHE 22 10.008 10.593 -5.741 160 HZ PHE 22 HZ PHE 22 9.429 10.708 -3.330 161 H VAL 23 HN VAL 23 13.403 9.448 -5.998 162 HA VAL 23 HA VAL 23 14.899 7.286 -7.445 163 HB VAL 23 HB VAL 23 13.232 6.301 -5.984 164 HG11 VAL 23 HG11 VAL 23 10.878 6.933 -6.161 165 HG12 VAL 23 HG12 VAL 23 11.272 8.115 -7.410 166 HG13 VAL 23 HG13 VAL 23 11.852 8.347 -5.760 167 HG21 VAL 23 HG21 VAL 23 13.532 5.526 -8.441 168 HG22 VAL 23 HG22 VAL 23 11.988 6.323 -8.742 169 HG23 VAL 23 HG23 VAL 23 12.082 4.989 -7.593 170 H ASN 24 HN ASN 24 14.010 6.829 -9.608 171 HA ASN 24 HA ASN 24 12.869 9.259 -10.951 172 HB2 ASN 24 HB2 ASN 24 15.077 7.370 -11.788 173 HB3 ASN 24 HB1 ASN 24 14.195 8.332 -12.970 174 HD21 ASN 24 HD21 ASN 24 13.843 10.739 -11.489 175 HD22 ASN 24 HD22 ASN 24 15.366 11.431 -11.203 176 H GLN 25 HN GLN 25 10.862 7.950 -10.306 177 HA GLN 25 HA GLN 25 10.287 5.832 -12.360 178 HB2 GLN 25 HB2 GLN 25 9.712 6.053 -9.429 179 HB3 GLN 25 HB1 GLN 25 8.474 5.292 -10.413 180 HG2 GLN 25 HG2 GLN 25 10.231 3.743 -11.322 181 HG3 GLN 25 HG1 GLN 25 11.385 4.459 -10.195 182 HE21 GLN 25 HE21 GLN 25 8.357 4.510 -8.726 183 HE22 GLN 25 HE22 GLN 25 8.476 3.070 -7.836 184 H HIS 26 HN HIS 26 7.895 5.648 -12.769 185 HA HIS 26 HA HIS 26 6.762 8.341 -13.267 186 HB2 HIS 26 HB2 HIS 26 6.145 5.537 -14.216 187 HB3 HIS 26 HB1 HIS 26 4.944 6.813 -14.398 188 HD2 HIS 26 HD2 HIS 26 8.670 6.134 -15.621 189 HE1 HIS 26 HE1 HIS 26 6.861 8.958 -18.187 190 HE2 HIS 26 HE2 HIS 26 8.942 7.555 -17.781 191 H LEU 27 HN LEU 27 6.151 8.919 -11.143 192 HA LEU 27 HA LEU 27 4.558 7.091 -9.516 193 HB2 LEU 27 HB2 LEU 27 4.919 10.051 -9.017 194 HB3 LEU 27 HB1 LEU 27 4.592 8.762 -7.873 195 HG LEU 27 HG LEU 27 7.147 8.813 -9.474 196 HD11 LEU 27 HD11 LEU 27 6.497 10.126 -6.827 197 HD12 LEU 27 HD12 LEU 27 7.175 10.883 -8.268 198 HD13 LEU 27 HD13 LEU 27 8.145 9.748 -7.329 199 HD21 LEU 27 HD21 LEU 27 6.577 6.681 -8.419 200 HD22 LEU 27 HD22 LEU 27 6.276 7.492 -6.882 201 HD23 LEU 27 HD23 LEU 27 7.911 7.424 -7.539 202 H CYS 28 HN CYS 28 2.357 7.122 -9.214 203 HA CYS 28 HA CYS 28 0.781 9.324 -10.459 204 HB2 CYS 28 HB2 CYS 28 0.147 6.391 -10.870 205 HB3 CYS 28 HB1 CYS 28 -0.700 7.770 -11.572 206 H GLY 29 HN GLY 29 -0.609 10.064 -9.021 207 HA2 GLY 29 HA2 GLY 29 -1.738 10.231 -6.958 208 HA3 GLY 29 HA1 GLY 29 -2.569 8.830 -7.609 209 H SER 30 HN SER 30 -2.456 6.992 -6.440 210 HA SER 30 HA SER 30 -1.569 6.726 -3.885 211 HB2 SER 30 HB2 SER 30 -1.303 4.518 -5.937 212 HB3 SER 30 HB1 SER 30 -1.481 4.313 -4.196 213 HG SER 30 HG SER 30 -3.376 5.873 -5.515 214 H ASP 31 HN ASP 31 0.515 5.766 -6.654 215 HA ASP 31 HA ASP 31 2.783 5.292 -4.944 216 HB2 ASP 31 HB2 ASP 31 3.072 6.019 -7.853 217 HB3 ASP 31 HB1 ASP 31 3.968 4.831 -6.909 218 H LEU 32 HN LEU 32 1.541 8.095 -6.612 219 HA LEU 32 HA LEU 32 3.935 9.718 -6.141 220 HB2 LEU 32 HB2 LEU 32 2.684 10.148 -8.137 221 HB3 LEU 32 HB1 LEU 32 1.173 10.230 -7.244 222 HG LEU 32 HG LEU 32 1.865 12.326 -6.184 223 HD11 LEU 32 HD11 LEU 32 4.099 13.251 -7.494 224 HD12 LEU 32 HD12 LEU 32 4.513 11.564 -7.317 225 HD13 LEU 32 HD13 LEU 32 4.128 12.525 -5.894 226 HD21 LEU 32 HD21 LEU 32 1.386 13.609 -8.058 227 HD22 LEU 32 HD22 LEU 32 0.933 12.036 -8.683 228 HD23 LEU 32 HD23 LEU 32 2.493 12.725 -9.091 229 H VAL 33 HN VAL 33 0.564 10.074 -5.096 230 HA VAL 33 HA VAL 33 0.756 12.020 -3.184 231 HB VAL 33 HB VAL 33 -0.723 9.382 -3.106 232 HG11 VAL 33 HG11 VAL 33 -0.554 11.545 -1.046 233 HG12 VAL 33 HG12 VAL 33 -0.767 9.815 -0.828 234 HG13 VAL 33 HG13 VAL 33 -2.131 10.813 -1.330 235 HG21 VAL 33 HG21 VAL 33 -1.247 11.156 -4.828 236 HG22 VAL 33 HG22 VAL 33 -1.736 12.201 -3.493 237 HG23 VAL 33 HG23 VAL 33 -2.604 10.696 -3.798 238 H GLU 34 HN GLU 34 1.170 8.564 -2.453 239 HA GLU 34 HA GLU 34 2.231 8.826 0.139 240 HB2 GLU 34 HB2 GLU 34 2.665 6.825 -2.080 241 HB3 GLU 34 HB1 GLU 34 3.546 6.670 -0.561 242 HG2 GLU 34 HG2 GLU 34 1.308 5.409 -0.750 243 HG3 GLU 34 HG1 GLU 34 1.568 6.382 0.690 244 H ALA 35 HN ALA 35 3.836 9.044 -3.014 245 HA ALA 35 HA ALA 35 6.516 9.375 -2.073 246 HB1 ALA 35 HB1 ALA 35 7.050 10.078 -4.243 247 HB2 ALA 35 HB2 ALA 35 5.541 10.964 -4.451 248 HB3 ALA 35 HB3 ALA 35 5.556 9.209 -4.556 249 H LEU 36 HN LEU 36 3.781 11.646 -2.366 250 HA LEU 36 HA LEU 36 5.436 13.898 -1.611 251 HB2 LEU 36 HB2 LEU 36 2.468 13.483 -1.712 252 HB3 LEU 36 HB1 LEU 36 3.200 15.001 -1.202 253 HG LEU 36 HG LEU 36 3.932 13.676 -3.832 254 HD11 LEU 36 HD11 LEU 36 1.424 14.996 -3.104 255 HD12 LEU 36 HD12 LEU 36 1.848 14.081 -4.538 256 HD13 LEU 36 HD13 LEU 36 2.228 15.790 -4.438 257 HD21 LEU 36 HD21 LEU 36 5.542 15.355 -3.323 258 HD22 LEU 36 HD22 LEU 36 4.351 16.418 -2.586 259 HD23 LEU 36 HD23 LEU 36 4.389 16.215 -4.333 260 H TYR 37 HN TYR 37 2.868 12.087 0.109 261 HA TYR 37 HA TYR 37 3.137 13.165 2.671 262 HB2 TYR 37 HB2 TYR 37 1.506 11.390 2.065 263 HB3 TYR 37 HB1 TYR 37 2.829 10.223 1.993 264 HD1 TYR 37 HD2 TYR 37 4.165 9.721 4.043 265 HD2 TYR 37 HD1 TYR 37 0.614 12.118 4.144 266 HE1 TYR 37 HE2 TYR 37 4.038 9.415 6.500 267 HE2 TYR 37 HE1 TYR 37 0.482 11.826 6.600 268 HH TYR 37 HH TYR 37 1.580 11.101 8.430 269 H LEU 38 HN LEU 38 5.236 10.992 0.942 270 HA LEU 38 HA LEU 38 6.982 10.352 3.162 271 HB2 LEU 38 HB2 LEU 38 6.702 8.952 1.131 272 HB3 LEU 38 HB1 LEU 38 7.386 10.229 0.150 273 HG LEU 38 HG LEU 38 8.976 9.236 2.500 274 HD11 LEU 38 HD11 LEU 38 8.266 7.158 1.430 275 HD12 LEU 38 HD12 LEU 38 9.966 7.452 1.063 276 HD13 LEU 38 HD13 LEU 38 8.731 7.784 -0.152 277 HD21 LEU 38 HD21 LEU 38 10.826 9.560 0.709 278 HD22 LEU 38 HD22 LEU 38 10.043 11.009 1.319 279 HD23 LEU 38 HD23 LEU 38 9.581 10.354 -0.246 280 H VAL 39 HN VAL 39 7.104 12.520 0.360 281 HA VAL 39 HA VAL 39 9.588 13.812 1.126 282 HB VAL 39 HB VAL 39 7.415 14.399 -0.892 283 HG11 VAL 39 HG11 VAL 39 9.019 16.091 -1.824 284 HG12 VAL 39 HG12 VAL 39 9.873 16.011 -0.284 285 HG13 VAL 39 HG13 VAL 39 8.202 16.569 -0.343 286 HG21 VAL 39 HG21 VAL 39 8.783 12.565 -1.541 287 HG22 VAL 39 HG22 VAL 39 10.242 13.390 -1.036 288 HG23 VAL 39 HG23 VAL 39 9.360 13.949 -2.456 289 H CYS 40 HN CYS 40 6.275 15.083 0.871 290 HA CYS 40 HA CYS 40 6.794 17.499 2.303 291 HB2 CYS 40 HB2 CYS 40 4.166 16.074 1.942 292 HB3 CYS 40 HB1 CYS 40 4.410 17.798 2.140 293 H GLY 41 HN GLY 41 5.165 14.482 3.355 294 HA2 GLY 41 HA2 GLY 41 4.793 13.660 5.515 295 HA3 GLY 41 HA1 GLY 41 6.135 14.672 6.037 296 H GLU 42 HN GLU 42 5.572 16.172 7.515 297 HA GLU 42 HA GLU 42 2.872 16.638 8.302 298 HB2 GLU 42 HB2 GLU 42 4.695 16.945 9.870 299 HB3 GLU 42 HB1 GLU 42 5.389 18.220 8.868 300 HG2 GLU 42 HG2 GLU 42 3.588 19.706 9.321 301 HG3 GLU 42 HG1 GLU 42 2.585 18.412 9.977 302 H ARG 43 HN ARG 43 5.067 18.646 6.320 303 HA ARG 43 HA ARG 43 3.521 20.949 6.120 304 HB2 ARG 43 HB2 ARG 43 4.765 19.821 3.616 305 HB3 ARG 43 HB1 ARG 43 4.704 21.492 4.176 306 HG2 ARG 43 HG2 ARG 43 6.189 20.804 6.091 307 HG3 ARG 43 HG1 ARG 43 6.396 19.255 5.276 308 HD2 ARG 43 HD2 ARG 43 6.840 21.518 3.443 309 HD3 ARG 43 HD1 ARG 43 7.924 21.531 4.811 310 HE ARG 43 HE ARG 43 7.904 18.882 3.874 311 HH11 ARG 43 HH21 ARG 43 8.592 22.044 2.686 312 HH12 ARG 43 HH22 ARG 43 9.747 21.498 1.516 313 HH21 ARG 43 HH11 ARG 43 9.407 18.150 2.355 314 HH22 ARG 43 HH12 ARG 43 10.209 19.292 1.329 315 H GLY 44 HN GLY 44 2.669 17.790 4.956 316 HA2 GLY 44 HA2 GLY 44 0.625 17.125 3.948 317 HA3 GLY 44 HA1 GLY 44 0.068 18.800 4.086 318 H PHE 45 HN PHE 45 -0.624 17.943 1.676 319 HA PHE 45 HA PHE 45 1.209 19.368 -0.096 320 HB2 PHE 45 HB2 PHE 45 1.617 17.317 -1.535 321 HB3 PHE 45 HB1 PHE 45 2.456 17.357 0.002 322 HD1 PHE 45 HD1 PHE 45 -0.334 15.846 -1.845 323 HD2 PHE 45 HD2 PHE 45 1.900 15.869 1.794 324 HE1 PHE 45 HE1 PHE 45 -1.375 13.681 -1.193 325 HE2 PHE 45 HE2 PHE 45 0.878 13.712 2.455 326 HZ PHE 45 HZ PHE 45 -0.755 12.618 0.961 327 H 23F 46 HN 23F 46 0.373 19.145 -2.611 328 HB 23F 46 HB 23F 46 -3.009 20.196 -4.236 329 HD1 23F 46 HD1 23F 46 0.322 21.020 -2.223 330 HD2 23F 46 HD2 23F 46 -3.079 22.569 -4.598 331 HE1 23F 46 HE1 23F 46 1.272 23.332 -2.119 332 HE2 23F 46 HE2 23F 46 -2.108 24.806 -4.465 333 HZ 23F 46 HZ 23F 46 0.064 25.247 -3.239 334 H TYR 47 HN TYR 47 -3.678 17.730 -1.911 335 HA TYR 47 HA TYR 47 -4.599 16.111 -4.056 336 HB2 TYR 47 HB2 TYR 47 -2.180 15.049 -2.848 337 HB3 TYR 47 HB1 TYR 47 -3.499 13.977 -2.452 338 HD1 TYR 47 HD2 TYR 47 -5.181 13.606 -4.558 339 HD2 TYR 47 HD1 TYR 47 -0.988 14.559 -4.822 340 HE1 TYR 47 HE2 TYR 47 -5.090 12.600 -6.820 341 HE2 TYR 47 HE1 TYR 47 -0.907 13.533 -7.071 342 HH TYR 47 HH TYR 47 -2.246 11.777 -8.349 343 H THR 48 HN THR 48 -6.576 16.743 -3.100 344 HA THR 48 HA THR 48 -7.486 15.007 -0.928 345 HB THR 48 HB THR 48 -6.648 16.608 0.569 346 HG1 THR 48 HG1 THR 48 -8.978 16.303 0.696 347 HG21 THR 48 HG21 THR 48 -7.418 18.615 -1.552 348 HG22 THR 48 HG22 THR 48 -5.816 18.277 -0.899 349 HG23 THR 48 HG23 THR 48 -7.015 19.106 0.092 350 H LYS 49 HN LYS 49 -8.068 17.532 -3.286 351 HA LYS 49 HA LYS 49 -10.896 16.591 -3.525 352 HB2 LYS 49 HB2 LYS 49 -10.138 19.513 -3.666 353 HB3 LYS 49 HB1 LYS 49 -11.750 18.804 -3.631 354 HG2 LYS 49 HG2 LYS 49 -11.421 18.042 -1.338 355 HG3 LYS 49 HG1 LYS 49 -9.754 18.616 -1.358 356 HD2 LYS 49 HD2 LYS 49 -11.217 20.231 -0.210 357 HD3 LYS 49 HD1 LYS 49 -10.541 20.929 -1.681 358 HE2 LYS 49 HE2 LYS 49 -12.581 20.830 -2.824 359 HE3 LYS 49 HE1 LYS 49 -13.215 19.546 -1.792 360 HZ1 LYS 49 HZ1 LYS 49 -14.119 21.057 -0.479 361 HZ2 LYS 49 HZ2 LYS 49 -13.591 22.285 -1.528 362 HZ3 LYS 49 HZ3 LYS 49 -12.618 21.803 -0.221 363 HA PRO 50 HA PRO 50 -8.435 16.811 -7.468 364 HB2 PRO 50 HB2 PRO 50 -10.013 14.400 -8.111 365 HB3 PRO 50 HB1 PRO 50 -8.259 14.629 -8.169 366 HG2 PRO 50 HG2 PRO 50 -9.576 13.139 -6.225 367 HG3 PRO 50 HG1 PRO 50 -7.977 13.873 -6.014 368 HD2 PRO 50 HD2 PRO 50 -10.572 14.717 -4.854 369 HD3 PRO 50 HD1 PRO 50 -8.930 15.086 -4.312 370 H THR 51 HN THR 51 -11.710 15.390 -7.595 371 HA THR 51 HA THR 51 -12.492 17.019 -9.848 372 HB THR 51 HB THR 51 -14.758 16.105 -9.422 373 HG1 THR 51 HG1 THR 51 -14.133 16.117 -7.009 374 HG21 THR 51 HG21 THR 51 -12.514 14.088 -9.126 375 HG22 THR 51 HG22 THR 51 -13.131 14.734 -10.647 376 HG23 THR 51 HG23 THR 51 -14.159 13.712 -9.642 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -0.858 20.657 -13.564 2 H2 GLY 1 HT2 GLY 1 -0.081 19.409 -14.415 3 H3 GLY 1 HT3 GLY 1 0.836 20.545 -13.547 4 HA2 GLY 1 HA2 GLY 1 -0.647 19.734 -11.480 5 HA3 GLY 1 HA1 GLY 1 -0.579 18.279 -12.511 6 H ILE 2 HN ILE 2 0.604 18.261 -10.055 7 HA ILE 2 HA ILE 2 3.259 17.456 -10.630 8 HB ILE 2 HB ILE 2 2.491 17.734 -8.342 9 HG12 ILE 2 HG12 ILE 2 3.202 14.821 -8.877 10 HG13 ILE 2 HG11 ILE 2 4.344 16.144 -8.717 11 HG21 ILE 2 HG21 ILE 2 0.946 15.925 -7.367 12 HG22 ILE 2 HG22 ILE 2 0.579 15.498 -9.033 13 HG23 ILE 2 HG23 ILE 2 0.203 17.106 -8.437 14 HD11 ILE 2 HD11 ILE 2 3.078 16.503 -6.430 15 HD12 ILE 2 HD12 ILE 2 4.379 15.324 -6.568 16 HD13 ILE 2 HD13 ILE 2 2.698 14.801 -6.643 17 H VAL 3 HN VAL 3 0.208 15.779 -11.120 18 HA VAL 3 HA VAL 3 1.200 13.145 -11.438 19 HB VAL 3 HB VAL 3 -1.132 14.519 -12.800 20 HG11 VAL 3 HG11 VAL 3 -0.581 12.476 -13.991 21 HG12 VAL 3 HG12 VAL 3 -2.001 12.173 -12.990 22 HG13 VAL 3 HG13 VAL 3 -0.420 11.594 -12.473 23 HG21 VAL 3 HG21 VAL 3 -1.143 14.532 -10.305 24 HG22 VAL 3 HG22 VAL 3 -0.985 12.776 -10.320 25 HG23 VAL 3 HG23 VAL 3 -2.435 13.536 -10.975 26 H GLU 4 HN GLU 4 0.698 15.650 -13.959 27 HA GLU 4 HA GLU 4 1.515 14.158 -16.189 28 HB2 GLU 4 HB2 GLU 4 0.661 16.390 -16.476 29 HB3 GLU 4 HB1 GLU 4 1.987 17.077 -15.541 30 HG2 GLU 4 HG2 GLU 4 3.547 16.765 -17.252 31 HG3 GLU 4 HG1 GLU 4 2.627 15.462 -18.000 32 H GLN 5 HN GLN 5 3.713 16.357 -14.398 33 HA GLN 5 HA GLN 5 6.025 15.423 -15.719 34 HB2 GLN 5 HB2 GLN 5 5.855 16.613 -12.938 35 HB3 GLN 5 HB1 GLN 5 7.301 16.527 -13.942 36 HG2 GLN 5 HG2 GLN 5 6.533 18.704 -14.363 37 HG3 GLN 5 HG1 GLN 5 5.858 17.800 -15.715 38 HE21 GLN 5 HE21 GLN 5 4.763 17.987 -12.300 39 HE22 GLN 5 HE22 GLN 5 3.206 18.551 -12.667 40 H CYS 6 HN CYS 6 4.578 14.289 -12.670 41 HA CYS 6 HA CYS 6 6.785 12.403 -12.213 42 HB2 CYS 6 HB2 CYS 6 4.183 12.445 -10.719 43 HB3 CYS 6 HB1 CYS 6 5.783 12.033 -10.106 44 H CYS 7 HN CYS 7 3.302 12.081 -12.991 45 HA CYS 7 HA CYS 7 3.585 9.172 -13.209 46 HB2 CYS 7 HB2 CYS 7 1.512 10.304 -12.380 47 HB3 CYS 7 HB1 CYS 7 1.237 10.908 -14.010 48 H THR 8 HN THR 8 2.764 11.762 -15.582 49 HA THR 8 HA THR 8 2.960 9.931 -17.817 50 HB THR 8 HB THR 8 3.335 12.922 -18.035 51 HG1 THR 8 HG1 THR 8 1.176 13.174 -17.804 52 HG21 THR 8 HG21 THR 8 2.062 12.565 -20.119 53 HG22 THR 8 HG22 THR 8 1.970 10.842 -19.755 54 HG23 THR 8 HG23 THR 8 3.533 11.593 -20.079 55 H SER 9 HN SER 9 5.200 11.923 -16.058 56 HA SER 9 HA SER 9 7.456 10.807 -17.672 57 HB2 SER 9 HB2 SER 9 7.095 13.684 -16.802 58 HB3 SER 9 HB1 SER 9 8.600 13.032 -17.421 59 HG SER 9 HG SER 9 6.952 14.090 -18.913 60 H ILE 10 HN ILE 10 9.584 11.271 -16.285 61 HA ILE 10 HA ILE 10 8.935 10.332 -13.557 62 HB ILE 10 HB ILE 10 11.660 10.786 -14.815 63 HG12 ILE 10 HG12 ILE 10 9.745 8.441 -14.814 64 HG13 ILE 10 HG11 ILE 10 10.647 9.125 -16.164 65 HG21 ILE 10 HG21 ILE 10 12.509 9.473 -12.988 66 HG22 ILE 10 HG22 ILE 10 10.887 9.022 -12.470 67 HG23 ILE 10 HG23 ILE 10 11.452 10.677 -12.260 68 HD11 ILE 10 HD11 ILE 10 12.755 8.359 -14.798 69 HD12 ILE 10 HD12 ILE 10 11.840 7.161 -15.713 70 HD13 ILE 10 HD13 ILE 10 11.609 7.303 -13.972 71 H CYS 11 HN CYS 11 8.992 11.602 -11.783 72 HA CYS 11 HA CYS 11 9.677 14.474 -12.125 73 HB2 CYS 11 HB2 CYS 11 7.964 12.877 -10.285 74 HB3 CYS 11 HB1 CYS 11 8.724 14.293 -9.574 75 H SER 12 HN SER 12 10.407 15.278 -9.745 76 HA SER 12 HA SER 12 12.668 13.612 -8.771 77 HB2 SER 12 HB2 SER 12 13.326 16.473 -8.848 78 HB3 SER 12 HB1 SER 12 14.268 15.105 -9.429 79 HG SER 12 HG SER 12 11.986 16.044 -10.806 80 H LEU 13 HN LEU 13 13.242 14.181 -6.613 81 HA LEU 13 HA LEU 13 11.239 14.536 -4.743 82 HB2 LEU 13 HB2 LEU 13 13.460 13.910 -4.074 83 HB3 LEU 13 HB1 LEU 13 14.143 15.395 -4.718 84 HG LEU 13 HG LEU 13 13.126 16.710 -2.990 85 HD11 LEU 13 HD11 LEU 13 11.714 15.437 -1.226 86 HD12 LEU 13 HD12 LEU 13 11.584 14.173 -2.450 87 HD13 LEU 13 HD13 LEU 13 10.952 15.783 -2.777 88 HD21 LEU 13 HD21 LEU 13 15.146 15.518 -2.314 89 HD22 LEU 13 HD22 LEU 13 14.182 14.119 -1.840 90 HD23 LEU 13 HD23 LEU 13 14.031 15.636 -0.952 91 H TYR 14 HN TYR 14 13.466 17.045 -5.745 92 HA TYR 14 HA TYR 14 12.349 19.295 -4.561 93 HB2 TYR 14 HB2 TYR 14 13.329 19.453 -7.395 94 HB3 TYR 14 HB1 TYR 14 13.632 20.553 -6.055 95 HD1 TYR 14 HD1 TYR 14 14.891 19.513 -3.968 96 HD2 TYR 14 HD2 TYR 14 14.937 17.878 -7.915 97 HE1 TYR 14 HE1 TYR 14 16.964 18.262 -3.421 98 HE2 TYR 14 HE2 TYR 14 16.997 16.621 -7.392 99 HH TYR 14 HH TYR 14 18.805 16.609 -5.867 100 H GLN 15 HN GLN 15 11.468 17.836 -7.664 101 HA GLN 15 HA GLN 15 9.352 19.721 -8.227 102 HB2 GLN 15 HB2 GLN 15 9.843 16.886 -9.165 103 HB3 GLN 15 HB1 GLN 15 8.476 17.848 -9.712 104 HG2 GLN 15 HG2 GLN 15 10.155 19.624 -10.401 105 HG3 GLN 15 HG1 GLN 15 11.416 18.431 -10.103 106 HE21 GLN 15 HE21 GLN 15 8.175 18.236 -11.598 107 HE22 GLN 15 HE22 GLN 15 8.714 17.512 -13.028 108 H LEU 16 HN LEU 16 9.607 16.775 -6.309 109 HA LEU 16 HA LEU 16 6.735 16.620 -5.856 110 HB2 LEU 16 HB2 LEU 16 9.103 15.159 -4.922 111 HB3 LEU 16 HB1 LEU 16 7.879 15.319 -3.682 112 HG LEU 16 HG LEU 16 6.203 14.424 -5.324 113 HD11 LEU 16 HD11 LEU 16 8.669 13.716 -6.913 114 HD12 LEU 16 HD12 LEU 16 7.554 15.014 -7.339 115 HD13 LEU 16 HD13 LEU 16 6.997 13.341 -7.326 116 HD21 LEU 16 HD21 LEU 16 6.907 12.826 -3.775 117 HD22 LEU 16 HD22 LEU 16 8.576 12.852 -4.348 118 HD23 LEU 16 HD23 LEU 16 7.328 12.053 -5.302 119 H GLU 17 HN GLU 17 9.472 18.102 -4.298 120 HA GLU 17 HA GLU 17 8.202 18.835 -1.891 121 HB2 GLU 17 HB2 GLU 17 10.423 20.200 -3.403 122 HB3 GLU 17 HB1 GLU 17 9.968 20.515 -1.743 123 HG2 GLU 17 HG2 GLU 17 10.321 17.895 -1.486 124 HG3 GLU 17 HG1 GLU 17 11.328 18.107 -2.894 125 H ASN 18 HN ASN 18 8.449 20.375 -4.984 126 HA ASN 18 HA ASN 18 7.538 22.957 -4.489 127 HB2 ASN 18 HB2 ASN 18 7.437 21.050 -6.752 128 HB3 ASN 18 HB1 ASN 18 6.235 22.321 -6.840 129 HD21 ASN 18 HD21 ASN 18 9.260 21.632 -7.921 130 HD22 ASN 18 HD22 ASN 18 9.921 23.192 -7.994 131 H TYR 19 HN TYR 19 5.675 20.027 -4.748 132 HA TYR 19 HA TYR 19 3.113 21.429 -4.500 133 HB2 TYR 19 HB2 TYR 19 3.664 18.470 -4.456 134 HB3 TYR 19 HB1 TYR 19 2.157 19.266 -4.880 135 HD1 TYR 19 HD1 TYR 19 2.513 21.198 -6.737 136 HD2 TYR 19 HD2 TYR 19 4.965 17.749 -6.250 137 HE1 TYR 19 HE1 TYR 19 3.265 21.430 -9.087 138 HE2 TYR 19 HE2 TYR 19 5.762 17.972 -8.597 139 HH TYR 19 HH TYR 19 5.947 19.789 -10.308 140 H CYS 20 HN CYS 20 5.337 20.657 -2.118 141 HA CYS 20 HA CYS 20 3.466 19.449 -0.246 142 HB2 CYS 20 HB2 CYS 20 5.977 20.962 0.390 143 HB3 CYS 20 HB1 CYS 20 5.116 19.888 1.418 144 H ASN 21 HN ASN 21 1.752 21.056 -0.750 145 HA ASN 21 HA ASN 21 0.457 22.926 -0.177 146 HB2 ASN 21 HB2 ASN 21 0.613 21.849 2.018 147 HB3 ASN 21 HB1 ASN 21 2.145 22.658 2.324 148 HD21 ASN 21 HD21 ASN 21 1.068 23.706 4.228 149 HD22 ASN 21 HD22 ASN 21 0.049 25.041 3.980 150 H1 PHE 22 HT1 PHE 22 16.810 11.437 -3.758 151 H2 PHE 22 HT2 PHE 22 17.285 10.044 -4.607 152 H3 PHE 22 HT3 PHE 22 17.084 9.988 -2.921 153 HA PHE 22 HA PHE 22 14.891 9.704 -3.039 154 HB2 PHE 22 HB2 PHE 22 14.927 12.139 -4.045 155 HB3 PHE 22 HB1 PHE 22 14.608 11.323 -5.572 156 HD1 PHE 22 HD1 PHE 22 13.416 11.374 -2.016 157 HD2 PHE 22 HD2 PHE 22 12.367 10.864 -6.151 158 HE1 PHE 22 HE1 PHE 22 11.033 11.166 -1.387 159 HE2 PHE 22 HE2 PHE 22 9.978 10.656 -5.518 160 HZ PHE 22 HZ PHE 22 9.304 10.806 -3.132 161 H VAL 23 HN VAL 23 13.736 9.743 -6.008 162 HA VAL 23 HA VAL 23 15.130 7.362 -7.077 163 HB VAL 23 HB VAL 23 13.529 6.363 -5.576 164 HG11 VAL 23 HG11 VAL 23 12.090 8.323 -5.314 165 HG12 VAL 23 HG12 VAL 23 11.129 6.916 -5.768 166 HG13 VAL 23 HG13 VAL 23 11.519 8.143 -6.972 167 HG21 VAL 23 HG21 VAL 23 13.773 5.508 -8.006 168 HG22 VAL 23 HG22 VAL 23 12.205 6.264 -8.295 169 HG23 VAL 23 HG23 VAL 23 12.356 4.973 -7.104 170 H ASN 24 HN ASN 24 14.205 6.751 -9.224 171 HA ASN 24 HA ASN 24 12.998 9.094 -10.663 172 HB2 ASN 24 HB2 ASN 24 15.276 7.252 -11.401 173 HB3 ASN 24 HB1 ASN 24 14.342 8.063 -12.654 174 HD21 ASN 24 HD21 ASN 24 14.725 10.305 -12.998 175 HD22 ASN 24 HD22 ASN 24 15.847 11.208 -12.101 176 H GLN 25 HN GLN 25 11.019 7.774 -9.966 177 HA GLN 25 HA GLN 25 10.495 5.541 -11.908 178 HB2 GLN 25 HB2 GLN 25 9.850 5.937 -9.009 179 HB3 GLN 25 HB1 GLN 25 8.650 5.095 -9.975 180 HG2 GLN 25 HG2 GLN 25 10.441 3.516 -10.736 181 HG3 GLN 25 HG1 GLN 25 11.569 4.327 -9.648 182 HE21 GLN 25 HE21 GLN 25 8.777 4.603 -7.984 183 HE22 GLN 25 HE22 GLN 25 8.798 3.158 -7.095 184 H HIS 26 HN HIS 26 8.094 5.307 -12.330 185 HA HIS 26 HA HIS 26 6.959 7.961 -13.023 186 HB2 HIS 26 HB2 HIS 26 6.444 5.108 -13.858 187 HB3 HIS 26 HB1 HIS 26 5.167 6.300 -14.077 188 HD2 HIS 26 HD2 HIS 26 8.833 5.637 -15.423 189 HE1 HIS 26 HE1 HIS 26 6.986 8.536 -17.877 190 HE2 HIS 26 HE2 HIS 26 9.045 7.074 -17.579 191 H LEU 27 HN LEU 27 6.274 8.663 -10.963 192 HA LEU 27 HA LEU 27 4.625 6.921 -9.284 193 HB2 LEU 27 HB2 LEU 27 5.005 9.897 -8.910 194 HB3 LEU 27 HB1 LEU 27 4.652 8.660 -7.716 195 HG LEU 27 HG LEU 27 7.237 8.636 -9.271 196 HD11 LEU 27 HD11 LEU 27 7.034 10.791 -8.071 197 HD12 LEU 27 HD12 LEU 27 8.271 9.760 -7.351 198 HD13 LEU 27 HD13 LEU 27 6.693 9.916 -6.578 199 HD21 LEU 27 HD21 LEU 27 7.960 7.320 -7.276 200 HD22 LEU 27 HD22 LEU 27 6.627 6.553 -8.137 201 HD23 LEU 27 HD23 LEU 27 6.319 7.432 -6.640 202 H CYS 28 HN CYS 28 2.394 7.047 -9.014 203 HA CYS 28 HA CYS 28 0.928 9.217 -10.428 204 HB2 CYS 28 HB2 CYS 28 0.247 6.288 -10.791 205 HB3 CYS 28 HB1 CYS 28 -0.539 7.665 -11.564 206 H GLY 29 HN GLY 29 -0.527 10.025 -9.094 207 HA2 GLY 29 HA2 GLY 29 -1.772 10.276 -7.110 208 HA3 GLY 29 HA1 GLY 29 -2.578 8.858 -7.754 209 H SER 30 HN SER 30 -2.479 7.007 -6.572 210 HA SER 30 HA SER 30 -1.801 6.823 -3.946 211 HB2 SER 30 HB2 SER 30 -1.311 4.598 -5.938 212 HB3 SER 30 HB1 SER 30 -1.573 4.402 -4.207 213 HG SER 30 HG SER 30 -3.361 4.924 -6.244 214 H ASP 31 HN ASP 31 0.522 5.663 -6.433 215 HA ASP 31 HA ASP 31 2.670 5.399 -4.567 216 HB2 ASP 31 HB2 ASP 31 3.097 6.014 -7.491 217 HB3 ASP 31 HB1 ASP 31 4.032 4.956 -6.435 218 H LEU 32 HN LEU 32 1.734 8.038 -6.733 219 HA LEU 32 HA LEU 32 3.954 9.759 -6.091 220 HB2 LEU 32 HB2 LEU 32 2.730 10.091 -8.135 221 HB3 LEU 32 HB1 LEU 32 1.205 10.210 -7.266 222 HG LEU 32 HG LEU 32 1.887 12.334 -6.270 223 HD11 LEU 32 HD11 LEU 32 4.153 12.474 -5.924 224 HD12 LEU 32 HD12 LEU 32 4.152 13.219 -7.515 225 HD13 LEU 32 HD13 LEU 32 4.553 11.530 -7.353 226 HD21 LEU 32 HD21 LEU 32 2.595 12.643 -9.169 227 HD22 LEU 32 HD22 LEU 32 1.464 13.559 -8.190 228 HD23 LEU 32 HD23 LEU 32 1.019 11.972 -8.782 229 H VAL 33 HN VAL 33 0.548 10.124 -5.192 230 HA VAL 33 HA VAL 33 0.676 12.096 -3.295 231 HB VAL 33 HB VAL 33 -0.825 9.468 -3.247 232 HG11 VAL 33 HG11 VAL 33 -2.302 10.933 -1.562 233 HG12 VAL 33 HG12 VAL 33 -0.738 11.668 -1.224 234 HG13 VAL 33 HG13 VAL 33 -0.962 9.943 -0.984 235 HG21 VAL 33 HG21 VAL 33 -1.257 11.219 -5.023 236 HG22 VAL 33 HG22 VAL 33 -1.810 12.281 -3.728 237 HG23 VAL 33 HG23 VAL 33 -2.662 10.772 -4.055 238 H GLU 34 HN GLU 34 1.100 8.639 -2.597 239 HA GLU 34 HA GLU 34 2.006 8.913 0.073 240 HB2 GLU 34 HB2 GLU 34 2.690 6.862 -2.057 241 HB3 GLU 34 HB1 GLU 34 3.250 6.726 -0.389 242 HG2 GLU 34 HG2 GLU 34 0.905 6.799 0.397 243 HG3 GLU 34 HG1 GLU 34 0.354 6.899 -1.275 244 H ALA 35 HN ALA 35 3.724 9.123 -3.014 245 HA ALA 35 HA ALA 35 6.372 9.423 -1.963 246 HB1 ALA 35 HB1 ALA 35 5.531 9.209 -4.476 247 HB2 ALA 35 HB2 ALA 35 6.998 10.103 -4.118 248 HB3 ALA 35 HB3 ALA 35 5.490 10.969 -4.407 249 H LEU 36 HN LEU 36 3.667 11.704 -2.404 250 HA LEU 36 HA LEU 36 5.303 13.963 -1.635 251 HB2 LEU 36 HB2 LEU 36 2.341 13.544 -1.830 252 HB3 LEU 36 HB1 LEU 36 3.051 15.073 -1.317 253 HG LEU 36 HG LEU 36 3.870 13.704 -3.899 254 HD11 LEU 36 HD11 LEU 36 2.203 15.822 -4.592 255 HD12 LEU 36 HD12 LEU 36 1.352 15.058 -3.275 256 HD13 LEU 36 HD13 LEU 36 1.815 14.113 -4.681 257 HD21 LEU 36 HD21 LEU 36 4.358 16.236 -4.421 258 HD22 LEU 36 HD22 LEU 36 5.477 15.378 -3.374 259 HD23 LEU 36 HD23 LEU 36 4.276 16.457 -2.677 260 H TYR 37 HN TYR 37 2.665 12.214 0.045 261 HA TYR 37 HA TYR 37 2.880 13.345 2.589 262 HB2 TYR 37 HB2 TYR 37 1.233 11.589 1.988 263 HB3 TYR 37 HB1 TYR 37 2.535 10.396 1.961 264 HD1 TYR 37 HD2 TYR 37 3.818 9.899 4.045 265 HD2 TYR 37 HD1 TYR 37 0.322 12.377 4.038 266 HE1 TYR 37 HE2 TYR 37 3.637 9.640 6.506 267 HE2 TYR 37 HE1 TYR 37 0.138 12.133 6.495 268 HH TYR 37 HH TYR 37 1.688 11.606 8.415 269 H LEU 38 HN LEU 38 5.009 11.128 0.960 270 HA LEU 38 HA LEU 38 6.670 10.514 3.257 271 HB2 LEU 38 HB2 LEU 38 6.447 9.042 1.287 272 HB3 LEU 38 HB1 LEU 38 7.139 10.278 0.262 273 HG LEU 38 HG LEU 38 8.672 9.347 2.679 274 HD11 LEU 38 HD11 LEU 38 8.490 7.883 0.031 275 HD12 LEU 38 HD12 LEU 38 8.061 7.254 1.621 276 HD13 LEU 38 HD13 LEU 38 9.748 7.594 1.233 277 HD21 LEU 38 HD21 LEU 38 9.851 11.075 1.628 278 HD22 LEU 38 HD22 LEU 38 9.304 10.619 0.020 279 HD23 LEU 38 HD23 LEU 38 10.549 9.676 0.827 280 H VAL 39 HN VAL 39 6.885 12.617 0.415 281 HA VAL 39 HA VAL 39 9.373 13.890 1.220 282 HB VAL 39 HB VAL 39 7.268 14.461 -0.873 283 HG11 VAL 39 HG11 VAL 39 8.052 16.635 -0.340 284 HG12 VAL 39 HG12 VAL 39 8.915 16.127 -1.783 285 HG13 VAL 39 HG13 VAL 39 9.717 16.069 -0.214 286 HG21 VAL 39 HG21 VAL 39 8.641 12.607 -1.452 287 HG22 VAL 39 HG22 VAL 39 10.091 13.428 -0.913 288 HG23 VAL 39 HG23 VAL 39 9.259 13.973 -2.368 289 H CYS 40 HN CYS 40 6.082 15.190 0.842 290 HA CYS 40 HA CYS 40 6.584 17.630 2.243 291 HB2 CYS 40 HB2 CYS 40 3.956 16.219 1.822 292 HB3 CYS 40 HB1 CYS 40 4.203 17.944 2.008 293 H GLY 41 HN GLY 41 4.889 14.651 3.300 294 HA2 GLY 41 HA2 GLY 41 4.460 13.867 5.465 295 HA3 GLY 41 HA1 GLY 41 5.780 14.896 6.010 296 H GLU 42 HN GLU 42 5.160 16.417 7.439 297 HA GLU 42 HA GLU 42 2.430 16.889 8.117 298 HB2 GLU 42 HB2 GLU 42 4.187 17.223 9.753 299 HB3 GLU 42 HB1 GLU 42 4.925 18.479 8.759 300 HG2 GLU 42 HG2 GLU 42 3.100 19.971 9.106 301 HG3 GLU 42 HG1 GLU 42 2.081 18.689 9.761 302 H ARG 43 HN ARG 43 4.700 18.874 6.196 303 HA ARG 43 HA ARG 43 3.167 21.172 5.898 304 HB2 ARG 43 HB2 ARG 43 4.484 19.997 3.454 305 HB3 ARG 43 HB1 ARG 43 4.418 21.676 3.987 306 HG2 ARG 43 HG2 ARG 43 5.842 21.006 5.955 307 HG3 ARG 43 HG1 ARG 43 6.060 19.443 5.170 308 HD2 ARG 43 HD2 ARG 43 6.572 21.665 3.308 309 HD3 ARG 43 HD1 ARG 43 7.611 21.711 4.712 310 HE ARG 43 HE ARG 43 7.626 19.042 3.842 311 HH11 ARG 43 HH21 ARG 43 8.340 22.173 2.590 312 HH12 ARG 43 HH22 ARG 43 9.528 21.599 1.467 313 HH21 ARG 43 HH11 ARG 43 9.172 18.273 2.383 314 HH22 ARG 43 HH12 ARG 43 9.998 19.391 1.350 315 H GLY 44 HN GLY 44 2.351 17.994 4.766 316 HA2 GLY 44 HA2 GLY 44 0.342 17.310 3.701 317 HA3 GLY 44 HA1 GLY 44 -0.218 18.987 3.785 318 H PHE 45 HN PHE 45 -0.825 18.100 1.369 319 HA PHE 45 HA PHE 45 1.078 19.479 -0.360 320 HB2 PHE 45 HB2 PHE 45 1.526 17.402 -1.749 321 HB3 PHE 45 HB1 PHE 45 2.311 17.464 -0.183 322 HD1 PHE 45 HD1 PHE 45 -0.440 15.952 -2.090 323 HD2 PHE 45 HD2 PHE 45 1.698 15.998 1.604 324 HE1 PHE 45 HE1 PHE 45 -1.526 13.810 -1.436 325 HE2 PHE 45 HE2 PHE 45 0.632 13.863 2.267 326 HZ PHE 45 HZ PHE 45 -0.975 12.770 0.749 327 H 23F 46 HN 23F 46 0.319 19.242 -2.893 328 HB 23F 46 HB 23F 46 -3.000 20.286 -4.639 329 HD1 23F 46 HD1 23F 46 0.271 21.111 -2.531 330 HD2 23F 46 HD2 23F 46 -3.034 22.654 -5.040 331 HE1 23F 46 HE1 23F 46 1.243 23.414 -2.434 332 HE2 23F 46 HE2 23F 46 -2.042 24.883 -4.912 333 HZ 23F 46 HZ 23F 46 0.092 25.323 -3.624 334 H TYR 47 HN TYR 47 -3.765 17.857 -2.303 335 HA TYR 47 HA TYR 47 -4.626 16.206 -4.450 336 HB2 TYR 47 HB2 TYR 47 -2.255 15.153 -3.145 337 HB3 TYR 47 HB1 TYR 47 -3.592 14.097 -2.767 338 HD1 TYR 47 HD2 TYR 47 -5.209 13.685 -4.913 339 HD2 TYR 47 HD1 TYR 47 -1.007 14.619 -5.071 340 HE1 TYR 47 HE2 TYR 47 -5.055 12.632 -7.150 341 HE2 TYR 47 HE1 TYR 47 -0.863 13.547 -7.296 342 HH TYR 47 HH TYR 47 -2.529 13.087 -9.228 343 H THR 48 HN THR 48 -6.707 16.539 -3.713 344 HA THR 48 HA THR 48 -7.604 14.985 -1.435 345 HB THR 48 HB THR 48 -8.013 17.962 -1.135 346 HG1 THR 48 HG1 THR 48 -6.035 18.137 -0.522 347 HG21 THR 48 HG21 THR 48 -8.669 17.426 1.063 348 HG22 THR 48 HG22 THR 48 -7.866 15.857 1.017 349 HG23 THR 48 HG23 THR 48 -9.354 16.112 0.107 350 H LYS 49 HN LYS 49 -8.606 17.946 -3.179 351 HA LYS 49 HA LYS 49 -10.911 16.450 -4.318 352 HB2 LYS 49 HB2 LYS 49 -11.326 19.113 -2.961 353 HB3 LYS 49 HB1 LYS 49 -12.539 17.965 -3.525 354 HG2 LYS 49 HG2 LYS 49 -11.698 16.318 -1.837 355 HG3 LYS 49 HG1 LYS 49 -10.622 17.569 -1.215 356 HD2 LYS 49 HD2 LYS 49 -12.440 18.930 -0.504 357 HD3 LYS 49 HD1 LYS 49 -13.605 17.995 -1.441 358 HE2 LYS 49 HE2 LYS 49 -11.989 16.768 0.799 359 HE3 LYS 49 HE1 LYS 49 -13.553 17.534 1.078 360 HZ1 LYS 49 HZ1 LYS 49 -14.650 15.950 -0.148 361 HZ2 LYS 49 HZ2 LYS 49 -13.431 15.014 0.577 362 HZ3 LYS 49 HZ3 LYS 49 -13.276 15.512 -1.040 363 HA PRO 50 HA PRO 50 -8.626 19.370 -7.127 364 HB2 PRO 50 HB2 PRO 50 -9.214 17.257 -9.109 365 HB3 PRO 50 HB1 PRO 50 -7.662 18.011 -8.713 366 HG2 PRO 50 HG2 PRO 50 -8.369 15.429 -7.974 367 HG3 PRO 50 HG1 PRO 50 -7.160 16.414 -7.132 368 HD2 PRO 50 HD2 PRO 50 -9.909 15.711 -6.267 369 HD3 PRO 50 HD1 PRO 50 -8.529 16.240 -5.292 370 H THR 51 HN THR 51 -11.192 17.292 -8.496 371 HA THR 51 HA THR 51 -13.104 17.891 -9.736 372 HB THR 51 HB THR 51 -14.510 19.625 -8.567 373 HG1 THR 51 HG1 THR 51 -13.648 20.808 -7.051 374 HG21 THR 51 HG21 THR 51 -14.596 18.315 -6.373 375 HG22 THR 51 HG22 THR 51 -13.246 17.370 -7.003 376 HG23 THR 51 HG23 THR 51 -14.793 17.371 -7.849 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 0.132 22.020 -13.108 2 H2 GLY 1 HT2 GLY 1 0.473 20.873 -14.314 3 H3 GLY 1 HT3 GLY 1 1.719 21.453 -13.315 4 HA2 GLY 1 HA2 GLY 1 -0.228 20.512 -11.505 5 HA3 GLY 1 HA1 GLY 1 0.032 19.302 -12.793 6 H ILE 2 HN ILE 2 0.868 18.846 -10.182 7 HA ILE 2 HA ILE 2 3.563 17.987 -10.739 8 HB ILE 2 HB ILE 2 2.820 18.264 -8.445 9 HG12 ILE 2 HG12 ILE 2 3.301 15.318 -9.048 10 HG13 ILE 2 HG11 ILE 2 4.543 16.543 -8.855 11 HG21 ILE 2 HG21 ILE 2 1.138 16.541 -7.520 12 HG22 ILE 2 HG22 ILE 2 0.731 16.218 -9.199 13 HG23 ILE 2 HG23 ILE 2 0.495 17.826 -8.532 14 HD11 ILE 2 HD11 ILE 2 3.304 16.939 -6.559 15 HD12 ILE 2 HD12 ILE 2 4.506 15.663 -6.729 16 HD13 ILE 2 HD13 ILE 2 2.789 15.280 -6.819 17 H VAL 3 HN VAL 3 0.403 16.561 -11.286 18 HA VAL 3 HA VAL 3 1.180 13.863 -11.646 19 HB VAL 3 HB VAL 3 -1.011 15.453 -13.010 20 HG11 VAL 3 HG11 VAL 3 -0.579 12.469 -12.723 21 HG12 VAL 3 HG12 VAL 3 -0.589 13.383 -14.231 22 HG13 VAL 3 HG13 VAL 3 -2.071 13.211 -13.293 23 HG21 VAL 3 HG21 VAL 3 -2.399 14.335 -11.223 24 HG22 VAL 3 HG22 VAL 3 -1.228 15.497 -10.597 25 HG23 VAL 3 HG23 VAL 3 -0.898 13.768 -10.491 26 H GLU 4 HN GLU 4 0.928 16.447 -14.129 27 HA GLU 4 HA GLU 4 1.673 14.930 -16.367 28 HB2 GLU 4 HB2 GLU 4 1.011 17.220 -16.652 29 HB3 GLU 4 HB1 GLU 4 2.344 17.793 -15.653 30 HG2 GLU 4 HG2 GLU 4 3.946 17.389 -17.308 31 HG3 GLU 4 HG1 GLU 4 2.956 16.181 -18.122 32 H GLN 5 HN GLN 5 3.996 16.916 -14.489 33 HA GLN 5 HA GLN 5 6.270 15.846 -15.759 34 HB2 GLN 5 HB2 GLN 5 5.995 17.012 -12.977 35 HB3 GLN 5 HB1 GLN 5 7.536 16.692 -13.767 36 HG2 GLN 5 HG2 GLN 5 7.169 18.955 -14.272 37 HG3 GLN 5 HG1 GLN 5 6.574 18.146 -15.717 38 HE21 GLN 5 HE21 GLN 5 5.287 19.083 -12.487 39 HE22 GLN 5 HE22 GLN 5 3.793 19.633 -13.076 40 H CYS 6 HN CYS 6 4.663 14.722 -12.785 41 HA CYS 6 HA CYS 6 6.692 12.636 -12.374 42 HB2 CYS 6 HB2 CYS 6 4.082 12.832 -10.911 43 HB3 CYS 6 HB1 CYS 6 5.637 12.286 -10.292 44 H CYS 7 HN CYS 7 3.209 12.650 -13.208 45 HA CYS 7 HA CYS 7 3.230 9.740 -13.530 46 HB2 CYS 7 HB2 CYS 7 1.259 11.042 -12.689 47 HB3 CYS 7 HB1 CYS 7 1.065 11.709 -14.306 48 H THR 8 HN THR 8 2.697 12.470 -15.827 49 HA THR 8 HA THR 8 2.772 10.694 -18.116 50 HB THR 8 HB THR 8 3.395 13.651 -18.209 51 HG1 THR 8 HG1 THR 8 1.208 14.023 -18.141 52 HG21 THR 8 HG21 THR 8 1.806 11.894 -20.080 53 HG22 THR 8 HG22 THR 8 3.536 12.186 -20.259 54 HG23 THR 8 HG23 THR 8 2.398 13.527 -20.383 55 H SER 9 HN SER 9 5.140 12.433 -16.258 56 HA SER 9 HA SER 9 7.325 11.190 -17.878 57 HB2 SER 9 HB2 SER 9 7.186 14.049 -16.895 58 HB3 SER 9 HB1 SER 9 8.644 13.299 -17.516 59 HG SER 9 HG SER 9 7.848 13.365 -19.488 60 H ILE 10 HN ILE 10 9.458 11.417 -16.445 61 HA ILE 10 HA ILE 10 8.688 10.440 -13.761 62 HB ILE 10 HB ILE 10 11.465 10.703 -14.961 63 HG12 ILE 10 HG12 ILE 10 9.366 8.522 -15.068 64 HG13 ILE 10 HG11 ILE 10 10.323 9.189 -16.387 65 HG21 ILE 10 HG21 ILE 10 12.158 9.245 -13.172 66 HG22 ILE 10 HG22 ILE 10 10.490 8.938 -12.692 67 HG23 ILE 10 HG23 ILE 10 11.209 10.522 -12.420 68 HD11 ILE 10 HD11 ILE 10 12.360 8.212 -15.036 69 HD12 ILE 10 HD12 ILE 10 11.373 7.131 -16.020 70 HD13 ILE 10 HD13 ILE 10 11.127 7.206 -14.277 71 H CYS 11 HN CYS 11 8.762 11.687 -11.970 72 HA CYS 11 HA CYS 11 9.693 14.486 -12.226 73 HB2 CYS 11 HB2 CYS 11 7.875 12.977 -10.419 74 HB3 CYS 11 HB1 CYS 11 8.748 14.304 -9.666 75 H SER 12 HN SER 12 10.494 15.182 -9.836 76 HA SER 12 HA SER 12 12.652 13.346 -8.931 77 HB2 SER 12 HB2 SER 12 13.694 16.002 -8.832 78 HB3 SER 12 HB1 SER 12 14.246 14.688 -9.862 79 HG SER 12 HG SER 12 13.078 16.907 -10.597 80 H LEU 13 HN LEU 13 13.214 13.740 -6.746 81 HA LEU 13 HA LEU 13 11.262 14.234 -4.870 82 HB2 LEU 13 HB2 LEU 13 13.417 13.392 -4.222 83 HB3 LEU 13 HB1 LEU 13 14.229 14.835 -4.812 84 HG LEU 13 HG LEU 13 13.323 16.172 -3.041 85 HD11 LEU 13 HD11 LEU 13 11.793 14.975 -1.327 86 HD12 LEU 13 HD12 LEU 13 11.556 13.770 -2.591 87 HD13 LEU 13 HD13 LEU 13 11.074 15.440 -2.866 88 HD21 LEU 13 HD21 LEU 13 14.132 13.459 -1.974 89 HD22 LEU 13 HD22 LEU 13 14.121 14.956 -1.041 90 HD23 LEU 13 HD23 LEU 13 15.224 14.775 -2.406 91 H TYR 14 HN TYR 14 13.707 16.572 -5.784 92 HA TYR 14 HA TYR 14 12.774 18.866 -4.516 93 HB2 TYR 14 HB2 TYR 14 13.796 19.044 -7.335 94 HB3 TYR 14 HB1 TYR 14 14.168 20.072 -5.954 95 HD1 TYR 14 HD1 TYR 14 15.294 18.850 -3.883 96 HD2 TYR 14 HD2 TYR 14 15.299 17.384 -7.894 97 HE1 TYR 14 HE1 TYR 14 17.249 17.414 -3.352 98 HE2 TYR 14 HE2 TYR 14 17.240 15.946 -7.390 99 HH TYR 14 HH TYR 14 18.198 15.164 -4.362 100 H GLN 15 HN GLN 15 11.808 17.604 -7.679 101 HA GLN 15 HA GLN 15 9.863 19.682 -8.183 102 HB2 GLN 15 HB2 GLN 15 10.123 16.852 -9.235 103 HB3 GLN 15 HB1 GLN 15 8.849 17.950 -9.752 104 HG2 GLN 15 HG2 GLN 15 10.682 19.602 -10.352 105 HG3 GLN 15 HG1 GLN 15 11.832 18.293 -10.095 106 HE21 GLN 15 HE21 GLN 15 8.609 18.468 -11.633 107 HE22 GLN 15 HE22 GLN 15 9.099 17.748 -13.083 108 H LEU 16 HN LEU 16 9.854 16.661 -6.369 109 HA LEU 16 HA LEU 16 6.974 16.728 -5.949 110 HB2 LEU 16 HB2 LEU 16 9.198 15.039 -5.061 111 HB3 LEU 16 HB1 LEU 16 7.992 15.262 -3.812 112 HG LEU 16 HG LEU 16 6.246 14.575 -5.485 113 HD11 LEU 16 HD11 LEU 16 7.594 15.093 -7.496 114 HD12 LEU 16 HD12 LEU 16 6.982 13.439 -7.506 115 HD13 LEU 16 HD13 LEU 16 8.667 13.754 -7.093 116 HD21 LEU 16 HD21 LEU 16 6.803 12.875 -3.983 117 HD22 LEU 16 HD22 LEU 16 8.467 12.767 -4.560 118 HD23 LEU 16 HD23 LEU 16 7.152 12.114 -5.534 119 H GLU 17 HN GLU 17 9.809 17.907 -4.304 120 HA GLU 17 HA GLU 17 8.578 18.663 -1.886 121 HB2 GLU 17 HB2 GLU 17 10.920 19.890 -3.333 122 HB3 GLU 17 HB1 GLU 17 10.474 20.187 -1.667 123 HG2 GLU 17 HG2 GLU 17 10.606 17.538 -1.499 124 HG3 GLU 17 HG1 GLU 17 11.650 17.717 -2.886 125 H ASN 18 HN ASN 18 8.982 20.284 -4.921 126 HA ASN 18 HA ASN 18 8.280 22.912 -4.336 127 HB2 ASN 18 HB2 ASN 18 8.052 21.109 -6.674 128 HB3 ASN 18 HB1 ASN 18 6.958 22.476 -6.721 129 HD21 ASN 18 HD21 ASN 18 9.907 21.599 -7.838 130 HD22 ASN 18 HD22 ASN 18 10.702 23.097 -7.827 131 H TYR 19 HN TYR 19 6.189 20.158 -4.733 132 HA TYR 19 HA TYR 19 3.747 21.753 -4.449 133 HB2 TYR 19 HB2 TYR 19 4.050 18.759 -4.513 134 HB3 TYR 19 HB1 TYR 19 2.620 19.694 -4.920 135 HD1 TYR 19 HD1 TYR 19 3.162 21.656 -6.702 136 HD2 TYR 19 HD2 TYR 19 5.301 17.993 -6.323 137 HE1 TYR 19 HE1 TYR 19 3.960 21.907 -9.035 138 HE2 TYR 19 HE2 TYR 19 6.142 18.229 -8.654 139 HH TYR 19 HH TYR 19 4.997 19.676 -10.860 140 H CYS 20 HN CYS 20 5.876 20.706 -2.082 141 HA CYS 20 HA CYS 20 3.887 19.598 -0.270 142 HB2 CYS 20 HB2 CYS 20 6.521 20.849 0.433 143 HB3 CYS 20 HB1 CYS 20 5.557 19.825 1.421 144 H ASN 21 HN ASN 21 2.339 21.382 -0.739 145 HA ASN 21 HA ASN 21 1.226 23.349 -0.112 146 HB2 ASN 21 HB2 ASN 21 1.262 22.129 2.033 147 HB3 ASN 21 HB1 ASN 21 2.826 22.842 2.410 148 HD21 ASN 21 HD21 ASN 21 1.373 23.637 4.353 149 HD22 ASN 21 HD22 ASN 21 0.591 25.128 4.134 150 H1 PHE 22 HT1 PHE 22 16.677 10.363 -4.659 151 H2 PHE 22 HT2 PHE 22 16.900 8.736 -4.226 152 H3 PHE 22 HT3 PHE 22 16.518 9.889 -3.039 153 HA PHE 22 HA PHE 22 14.460 9.033 -3.312 154 HB2 PHE 22 HB2 PHE 22 14.716 11.485 -4.266 155 HB3 PHE 22 HB1 PHE 22 14.341 10.724 -5.808 156 HD1 PHE 22 HD1 PHE 22 13.139 10.826 -2.262 157 HD2 PHE 22 HD2 PHE 22 12.069 10.448 -6.406 158 HE1 PHE 22 HE1 PHE 22 10.746 10.816 -1.645 159 HE2 PHE 22 HE2 PHE 22 9.668 10.439 -5.784 160 HZ PHE 22 HZ PHE 22 9.000 10.622 -3.399 161 H VAL 23 HN VAL 23 13.137 9.089 -6.069 162 HA VAL 23 HA VAL 23 14.409 6.682 -7.292 163 HB VAL 23 HB VAL 23 12.651 5.825 -5.856 164 HG11 VAL 23 HG11 VAL 23 10.345 6.608 -6.096 165 HG12 VAL 23 HG12 VAL 23 10.848 7.752 -7.340 166 HG13 VAL 23 HG13 VAL 23 11.403 7.955 -5.678 167 HG21 VAL 23 HG21 VAL 23 11.458 5.891 -8.636 168 HG22 VAL 23 HG22 VAL 23 11.450 4.569 -7.470 169 HG23 VAL 23 HG23 VAL 23 12.944 5.001 -8.299 170 H ASN 24 HN ASN 24 13.516 6.251 -9.477 171 HA ASN 24 HA ASN 24 12.577 8.747 -10.858 172 HB2 ASN 24 HB2 ASN 24 14.688 6.721 -11.617 173 HB3 ASN 24 HB1 ASN 24 13.883 7.692 -12.846 174 HD21 ASN 24 HD21 ASN 24 13.802 10.197 -12.106 175 HD22 ASN 24 HD22 ASN 24 15.277 10.802 -11.522 176 H GLN 25 HN GLN 25 10.470 7.584 -10.258 177 HA GLN 25 HA GLN 25 9.796 5.496 -12.312 178 HB2 GLN 25 HB2 GLN 25 9.141 5.806 -9.407 179 HB3 GLN 25 HB1 GLN 25 7.875 5.140 -10.425 180 HG2 GLN 25 HG2 GLN 25 9.504 3.427 -11.251 181 HG3 GLN 25 HG1 GLN 25 10.699 4.070 -10.122 182 HE21 GLN 25 HE21 GLN 25 7.672 4.408 -8.694 183 HE22 GLN 25 HE22 GLN 25 7.660 2.984 -7.772 184 H HIS 26 HN HIS 26 7.391 5.500 -12.783 185 HA HIS 26 HA HIS 26 6.517 8.270 -13.380 186 HB2 HIS 26 HB2 HIS 26 5.726 5.507 -14.308 187 HB3 HIS 26 HB1 HIS 26 4.595 6.842 -14.519 188 HD2 HIS 26 HD2 HIS 26 8.196 5.808 -15.802 189 HE1 HIS 26 HE1 HIS 26 6.749 8.960 -18.212 190 HE2 HIS 26 HE2 HIS 26 8.626 7.271 -17.909 191 H LEU 27 HN LEU 27 5.875 8.969 -11.307 192 HA LEU 27 HA LEU 27 4.070 7.329 -9.689 193 HB2 LEU 27 HB2 LEU 27 4.698 10.251 -9.233 194 HB3 LEU 27 HB1 LEU 27 4.226 9.020 -8.076 195 HG LEU 27 HG LEU 27 6.815 8.818 -9.611 196 HD11 LEU 27 HD11 LEU 27 7.004 10.886 -8.422 197 HD12 LEU 27 HD12 LEU 27 7.836 9.677 -7.445 198 HD13 LEU 27 HD13 LEU 27 6.217 10.212 -6.995 199 HD21 LEU 27 HD21 LEU 27 6.035 6.755 -8.563 200 HD22 LEU 27 HD22 LEU 27 5.753 7.600 -7.041 201 HD23 LEU 27 HD23 LEU 27 7.397 7.386 -7.640 202 H CYS 28 HN CYS 28 1.860 7.608 -9.439 203 HA CYS 28 HA CYS 28 0.573 9.933 -10.783 204 HB2 CYS 28 HB2 CYS 28 -0.329 7.077 -11.231 205 HB3 CYS 28 HB1 CYS 28 -1.008 8.531 -11.962 206 H GLY 29 HN GLY 29 -0.819 10.814 -9.431 207 HA2 GLY 29 HA2 GLY 29 -2.049 11.109 -7.444 208 HA3 GLY 29 HA1 GLY 29 -2.960 9.779 -8.130 209 H SER 30 HN SER 30 -3.026 7.902 -6.997 210 HA SER 30 HA SER 30 -2.383 7.586 -4.375 211 HB2 SER 30 HB2 SER 30 -2.257 5.489 -6.545 212 HB3 SER 30 HB1 SER 30 -2.154 5.101 -4.830 213 HG SER 30 HG SER 30 -4.279 6.295 -6.269 214 H ASP 31 HN ASP 31 -0.142 6.350 -6.900 215 HA ASP 31 HA ASP 31 1.963 5.841 -5.027 216 HB2 ASP 31 HB2 ASP 31 2.451 6.509 -7.930 217 HB3 ASP 31 HB1 ASP 31 3.298 5.353 -6.903 218 H LEU 32 HN LEU 32 1.287 8.603 -7.149 219 HA LEU 32 HA LEU 32 3.617 10.128 -6.429 220 HB2 LEU 32 HB2 LEU 32 2.430 10.624 -8.463 221 HB3 LEU 32 HB1 LEU 32 0.918 10.839 -7.593 222 HG LEU 32 HG LEU 32 1.773 12.864 -6.522 223 HD11 LEU 32 HD11 LEU 32 4.104 13.605 -7.729 224 HD12 LEU 32 HD12 LEU 32 4.362 11.883 -7.648 225 HD13 LEU 32 HD13 LEU 32 4.044 12.790 -6.175 226 HD21 LEU 32 HD21 LEU 32 0.883 12.660 -9.047 227 HD22 LEU 32 HD22 LEU 32 2.504 13.220 -9.407 228 HD23 LEU 32 HD23 LEU 32 1.449 14.188 -8.394 229 H VAL 33 HN VAL 33 0.248 10.736 -5.536 230 HA VAL 33 HA VAL 33 0.513 12.621 -3.570 231 HB VAL 33 HB VAL 33 -1.184 10.115 -3.615 232 HG11 VAL 33 HG11 VAL 33 -1.274 10.545 -1.336 233 HG12 VAL 33 HG12 VAL 33 -2.563 11.609 -1.896 234 HG13 VAL 33 HG13 VAL 33 -0.967 12.262 -1.544 235 HG21 VAL 33 HG21 VAL 33 -2.906 11.570 -4.403 236 HG22 VAL 33 HG22 VAL 33 -1.461 11.954 -5.338 237 HG23 VAL 33 HG23 VAL 33 -1.959 13.005 -4.013 238 H GLU 34 HN GLU 34 0.672 9.119 -2.993 239 HA GLU 34 HA GLU 34 1.567 9.234 -0.308 240 HB2 GLU 34 HB2 GLU 34 1.919 7.214 -2.520 241 HB3 GLU 34 HB1 GLU 34 2.765 6.980 -0.991 242 HG2 GLU 34 HG2 GLU 34 -0.195 7.578 -1.000 243 HG3 GLU 34 HG1 GLU 34 0.378 5.943 -1.300 244 H ALA 35 HN ALA 35 3.332 9.366 -3.373 245 HA ALA 35 HA ALA 35 5.983 9.442 -2.310 246 HB1 ALA 35 HB1 ALA 35 5.233 11.134 -4.701 247 HB2 ALA 35 HB2 ALA 35 5.130 9.382 -4.829 248 HB3 ALA 35 HB3 ALA 35 6.666 10.141 -4.442 249 H LEU 36 HN LEU 36 3.472 11.953 -2.689 250 HA LEU 36 HA LEU 36 5.284 14.038 -1.824 251 HB2 LEU 36 HB2 LEU 36 2.300 13.880 -2.060 252 HB3 LEU 36 HB1 LEU 36 3.132 15.323 -1.484 253 HG LEU 36 HG LEU 36 3.858 13.989 -4.112 254 HD11 LEU 36 HD11 LEU 36 1.457 15.527 -3.447 255 HD12 LEU 36 HD12 LEU 36 1.846 14.598 -4.883 256 HD13 LEU 36 HD13 LEU 36 2.383 16.262 -4.736 257 HD21 LEU 36 HD21 LEU 36 4.568 16.479 -4.539 258 HD22 LEU 36 HD22 LEU 36 5.592 15.507 -3.495 259 HD23 LEU 36 HD23 LEU 36 4.466 16.661 -2.792 260 H TYR 37 HN TYR 37 2.502 12.431 -0.253 261 HA TYR 37 HA TYR 37 2.739 13.449 2.335 262 HB2 TYR 37 HB2 TYR 37 0.999 11.821 1.618 263 HB3 TYR 37 HB1 TYR 37 2.225 10.551 1.599 264 HD1 TYR 37 HD2 TYR 37 3.407 9.923 3.705 265 HD2 TYR 37 HD1 TYR 37 0.068 12.611 3.657 266 HE1 TYR 37 HE2 TYR 37 3.132 9.612 6.150 267 HE2 TYR 37 HE1 TYR 37 -0.212 12.312 6.101 268 HH TYR 37 HH TYR 37 0.490 11.242 7.917 269 H LEU 38 HN LEU 38 4.732 11.132 0.669 270 HA LEU 38 HA LEU 38 6.306 10.333 2.967 271 HB2 LEU 38 HB2 LEU 38 6.016 8.937 0.959 272 HB3 LEU 38 HB1 LEU 38 6.789 10.155 -0.030 273 HG LEU 38 HG LEU 38 8.250 9.056 2.361 274 HD11 LEU 38 HD11 LEU 38 7.484 7.048 1.216 275 HD12 LEU 38 HD12 LEU 38 9.203 7.268 0.892 276 HD13 LEU 38 HD13 LEU 38 8.013 7.694 -0.338 277 HD21 LEU 38 HD21 LEU 38 8.974 10.360 -0.259 278 HD22 LEU 38 HD22 LEU 38 10.152 9.318 0.527 279 HD23 LEU 38 HD23 LEU 38 9.542 10.736 1.364 280 H VAL 39 HN VAL 39 6.763 12.472 0.174 281 HA VAL 39 HA VAL 39 9.307 13.544 1.058 282 HB VAL 39 HB VAL 39 7.273 14.355 -1.025 283 HG11 VAL 39 HG11 VAL 39 9.061 15.903 -1.869 284 HG12 VAL 39 HG12 VAL 39 9.844 15.722 -0.301 285 HG13 VAL 39 HG13 VAL 39 8.235 16.433 -0.412 286 HG21 VAL 39 HG21 VAL 39 9.224 13.748 -2.528 287 HG22 VAL 39 HG22 VAL 39 8.487 12.410 -1.660 288 HG23 VAL 39 HG23 VAL 39 9.998 13.088 -1.090 289 H CYS 40 HN CYS 40 6.126 15.102 0.706 290 HA CYS 40 HA CYS 40 6.804 17.442 2.202 291 HB2 CYS 40 HB2 CYS 40 4.073 16.271 1.716 292 HB3 CYS 40 HB1 CYS 40 4.466 17.963 1.947 293 H GLY 41 HN GLY 41 4.848 14.576 3.126 294 HA2 GLY 41 HA2 GLY 41 4.327 13.755 5.259 295 HA3 GLY 41 HA1 GLY 41 5.719 14.651 5.856 296 H GLU 42 HN GLU 42 5.208 16.172 7.326 297 HA GLU 42 HA GLU 42 2.514 16.851 7.979 298 HB2 GLU 42 HB2 GLU 42 4.260 16.965 9.653 299 HB3 GLU 42 HB1 GLU 42 5.124 18.189 8.723 300 HG2 GLU 42 HG2 GLU 42 3.447 19.828 9.111 301 HG3 GLU 42 HG1 GLU 42 2.288 18.621 9.670 302 H ARG 43 HN ARG 43 4.983 18.693 6.163 303 HA ARG 43 HA ARG 43 3.666 21.129 5.930 304 HB2 ARG 43 HB2 ARG 43 4.913 19.932 3.460 305 HB3 ARG 43 HB1 ARG 43 4.990 21.589 4.058 306 HG2 ARG 43 HG2 ARG 43 6.313 20.720 6.017 307 HG3 ARG 43 HG1 ARG 43 6.401 19.174 5.178 308 HD2 ARG 43 HD2 ARG 43 7.149 21.393 3.401 309 HD3 ARG 43 HD1 ARG 43 8.157 21.312 4.826 310 HE ARG 43 HE ARG 43 7.942 18.674 3.863 311 HH11 ARG 43 HH21 ARG 43 9.009 21.763 2.770 312 HH12 ARG 43 HH22 ARG 43 10.176 21.117 1.665 313 HH21 ARG 43 HH11 ARG 43 9.462 17.810 2.431 314 HH22 ARG 43 HH12 ARG 43 10.433 18.878 1.473 315 H GLY 44 HN GLY 44 2.597 18.077 4.657 316 HA2 GLY 44 HA2 GLY 44 0.545 17.613 3.554 317 HA3 GLY 44 HA1 GLY 44 0.135 19.329 3.696 318 H PHE 45 HN PHE 45 -0.524 18.593 1.241 319 HA PHE 45 HA PHE 45 1.525 19.853 -0.413 320 HB2 PHE 45 HB2 PHE 45 1.792 17.793 -1.878 321 HB3 PHE 45 HB1 PHE 45 2.565 17.732 -0.308 322 HD1 PHE 45 HD1 PHE 45 -0.294 16.533 -2.282 323 HD2 PHE 45 HD2 PHE 45 1.810 16.268 1.426 324 HE1 PHE 45 HE1 PHE 45 -1.566 14.472 -1.707 325 HE2 PHE 45 HE2 PHE 45 0.557 14.211 2.011 326 HZ PHE 45 HZ PHE 45 -1.126 13.316 0.447 327 H 23F 46 HN 23F 46 0.803 19.761 -2.966 328 HB 23F 46 HB 23F 46 -2.362 21.173 -4.749 329 HD1 23F 46 HD1 23F 46 0.896 21.635 -2.516 330 HD2 23F 46 HD2 23F 46 -2.169 23.544 -5.077 331 HE1 23F 46 HE1 23F 46 2.068 23.837 -2.318 332 HE2 23F 46 HE2 23F 46 -0.987 25.668 -4.850 333 HZ 23F 46 HZ 23F 46 1.135 25.875 -3.483 334 H TYR 47 HN TYR 47 -3.433 18.769 -2.555 335 HA TYR 47 HA TYR 47 -4.311 17.260 -4.810 336 HB2 TYR 47 HB2 TYR 47 -2.176 15.950 -3.367 337 HB3 TYR 47 HB1 TYR 47 -3.643 15.058 -3.044 338 HD1 TYR 47 HD2 TYR 47 -5.182 14.701 -5.210 339 HD2 TYR 47 HD1 TYR 47 -0.926 15.357 -5.281 340 HE1 TYR 47 HE2 TYR 47 -5.048 13.622 -7.437 341 HE2 TYR 47 HE1 TYR 47 -0.805 14.264 -7.500 342 HH TYR 47 HH TYR 47 -2.328 12.470 -8.759 343 H THR 48 HN THR 48 -6.422 16.676 -4.434 344 HA THR 48 HA THR 48 -7.375 16.184 -1.698 345 HB THR 48 HB THR 48 -7.574 18.521 -1.530 346 HG1 THR 48 HG1 THR 48 -9.559 17.719 -1.069 347 HG21 THR 48 HG21 THR 48 -8.464 18.483 -4.424 348 HG22 THR 48 HG22 THR 48 -6.930 19.092 -3.803 349 HG23 THR 48 HG23 THR 48 -8.435 19.922 -3.406 350 H LYS 49 HN LYS 49 -8.776 14.546 -1.915 351 HA LYS 49 HA LYS 49 -10.038 14.028 -4.529 352 HB2 LYS 49 HB2 LYS 49 -10.151 12.372 -1.992 353 HB3 LYS 49 HB1 LYS 49 -10.673 11.872 -3.596 354 HG2 LYS 49 HG2 LYS 49 -8.474 11.800 -4.435 355 HG3 LYS 49 HG1 LYS 49 -7.842 12.809 -3.135 356 HD2 LYS 49 HD2 LYS 49 -7.207 10.433 -2.833 357 HD3 LYS 49 HD1 LYS 49 -8.231 11.005 -1.516 358 HE2 LYS 49 HE2 LYS 49 -10.160 9.912 -2.419 359 HE3 LYS 49 HE1 LYS 49 -9.338 9.576 -3.942 360 HZ1 LYS 49 HZ1 LYS 49 -7.927 8.555 -1.669 361 HZ2 LYS 49 HZ2 LYS 49 -8.390 7.766 -3.100 362 HZ3 LYS 49 HZ3 LYS 49 -9.484 7.898 -1.807 363 HA PRO 50 HA PRO 50 -13.812 14.497 -1.437 364 HB2 PRO 50 HB2 PRO 50 -13.034 17.031 -0.123 365 HB3 PRO 50 HB1 PRO 50 -13.760 15.581 0.588 366 HG2 PRO 50 HG2 PRO 50 -11.119 16.313 0.954 367 HG3 PRO 50 HG1 PRO 50 -11.710 14.645 1.066 368 HD2 PRO 50 HD2 PRO 50 -10.121 15.920 -1.088 369 HD3 PRO 50 HD1 PRO 50 -10.256 14.209 -0.657 370 H THR 51 HN THR 51 -12.484 17.784 -1.815 371 HA THR 51 HA THR 51 -14.747 18.752 -3.272 372 HB THR 51 HB THR 51 -11.960 19.911 -3.454 373 HG1 THR 51 HG1 THR 51 -12.057 20.089 -1.378 374 HG21 THR 51 HG21 THR 51 -13.889 20.844 -4.812 375 HG22 THR 51 HG22 THR 51 -13.115 21.996 -3.723 376 HG23 THR 51 HG23 THR 51 -14.659 21.266 -3.282 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 1.055 20.172 -14.459 2 H2 GLY 1 HT2 GLY 1 -0.242 21.168 -14.000 3 H3 GLY 1 HT3 GLY 1 -0.517 19.536 -14.385 4 HA2 GLY 1 HA2 GLY 1 0.303 20.810 -11.859 5 HA3 GLY 1 HA1 GLY 1 -0.262 19.151 -12.199 6 H ILE 2 HN ILE 2 1.219 19.159 -10.195 7 HA ILE 2 HA ILE 2 3.637 17.889 -10.756 8 HB ILE 2 HB ILE 2 2.932 18.328 -8.474 9 HG12 ILE 2 HG12 ILE 2 3.236 15.334 -8.938 10 HG13 ILE 2 HG11 ILE 2 4.546 16.493 -8.802 11 HG21 ILE 2 HG21 ILE 2 0.585 18.029 -8.520 12 HG22 ILE 2 HG22 ILE 2 1.157 16.757 -7.453 13 HG23 ILE 2 HG23 ILE 2 0.714 16.381 -9.113 14 HD11 ILE 2 HD11 ILE 2 2.733 15.429 -6.703 15 HD12 ILE 2 HD12 ILE 2 3.347 17.066 -6.525 16 HD13 ILE 2 HD13 ILE 2 4.470 15.714 -6.638 17 H VAL 3 HN VAL 3 0.384 16.642 -11.211 18 HA VAL 3 HA VAL 3 0.996 13.887 -11.449 19 HB VAL 3 HB VAL 3 -1.120 15.538 -12.854 20 HG11 VAL 3 HG11 VAL 3 -0.865 13.419 -14.005 21 HG12 VAL 3 HG12 VAL 3 -2.306 13.326 -12.994 22 HG13 VAL 3 HG13 VAL 3 -0.813 12.550 -12.472 23 HG21 VAL 3 HG21 VAL 3 -2.552 14.726 -11.013 24 HG22 VAL 3 HG22 VAL 3 -1.176 15.630 -10.381 25 HG23 VAL 3 HG23 VAL 3 -1.177 13.868 -10.319 26 H GLU 4 HN GLU 4 0.840 16.351 -14.064 27 HA GLU 4 HA GLU 4 1.467 14.670 -16.222 28 HB2 GLU 4 HB2 GLU 4 0.913 16.974 -16.626 29 HB3 GLU 4 HB1 GLU 4 2.299 17.532 -15.690 30 HG2 GLU 4 HG2 GLU 4 3.836 16.954 -17.352 31 HG3 GLU 4 HG1 GLU 4 2.775 15.742 -18.065 32 H GLN 5 HN GLN 5 3.905 16.645 -14.494 33 HA GLN 5 HA GLN 5 6.113 15.415 -15.725 34 HB2 GLN 5 HB2 GLN 5 5.986 16.658 -12.966 35 HB3 GLN 5 HB1 GLN 5 7.459 16.352 -13.884 36 HG2 GLN 5 HG2 GLN 5 6.985 18.619 -14.342 37 HG3 GLN 5 HG1 GLN 5 6.354 17.771 -15.751 38 HE21 GLN 5 HE21 GLN 5 4.884 18.009 -12.491 39 HE22 GLN 5 HE22 GLN 5 3.467 18.783 -13.015 40 H CYS 6 HN CYS 6 4.500 14.509 -12.677 41 HA CYS 6 HA CYS 6 6.435 12.349 -12.192 42 HB2 CYS 6 HB2 CYS 6 3.860 12.748 -10.704 43 HB3 CYS 6 HB1 CYS 6 5.394 12.149 -10.081 44 H CYS 7 HN CYS 7 2.945 12.494 -12.982 45 HA CYS 7 HA CYS 7 2.818 9.573 -13.156 46 HB2 CYS 7 HB2 CYS 7 0.924 11.007 -12.359 47 HB3 CYS 7 HB1 CYS 7 0.742 11.606 -14.003 48 H THR 8 HN THR 8 2.393 12.211 -15.577 49 HA THR 8 HA THR 8 2.348 10.323 -17.776 50 HB THR 8 HB THR 8 3.101 13.241 -18.023 51 HG1 THR 8 HG1 THR 8 0.456 12.287 -18.039 52 HG21 THR 8 HG21 THR 8 1.579 11.300 -19.772 53 HG22 THR 8 HG22 THR 8 3.215 11.897 -20.052 54 HG23 THR 8 HG23 THR 8 1.844 13.003 -20.143 55 H SER 9 HN SER 9 4.819 12.027 -16.029 56 HA SER 9 HA SER 9 6.919 10.609 -17.616 57 HB2 SER 9 HB2 SER 9 6.925 13.517 -16.777 58 HB3 SER 9 HB1 SER 9 8.341 12.670 -17.370 59 HG SER 9 HG SER 9 5.877 12.910 -18.762 60 H ILE 10 HN ILE 10 9.079 10.800 -16.220 61 HA ILE 10 HA ILE 10 8.298 9.997 -13.482 62 HB ILE 10 HB ILE 10 11.065 10.047 -14.730 63 HG12 ILE 10 HG12 ILE 10 8.850 7.982 -14.697 64 HG13 ILE 10 HG11 ILE 10 9.823 8.526 -16.060 65 HG21 ILE 10 HG21 ILE 10 11.714 8.662 -12.878 66 HG22 ILE 10 HG22 ILE 10 10.042 8.436 -12.372 67 HG23 ILE 10 HG23 ILE 10 10.820 10.003 -12.172 68 HD11 ILE 10 HD11 ILE 10 11.825 7.513 -14.699 69 HD12 ILE 10 HD12 ILE 10 10.755 6.429 -15.588 70 HD13 ILE 10 HD13 ILE 10 10.561 6.627 -13.847 71 H CYS 11 HN CYS 11 8.459 11.316 -11.763 72 HA CYS 11 HA CYS 11 9.551 14.043 -12.146 73 HB2 CYS 11 HB2 CYS 11 7.663 12.717 -10.264 74 HB3 CYS 11 HB1 CYS 11 8.607 14.035 -9.586 75 H SER 12 HN SER 12 10.407 14.785 -9.788 76 HA SER 12 HA SER 12 12.438 12.851 -8.802 77 HB2 SER 12 HB2 SER 12 13.470 15.595 -8.924 78 HB3 SER 12 HB1 SER 12 14.211 14.108 -9.504 79 HG SER 12 HG SER 12 13.723 14.840 -11.404 80 H LEU 13 HN LEU 13 13.090 13.360 -6.657 81 HA LEU 13 HA LEU 13 11.164 14.008 -4.784 82 HB2 LEU 13 HB2 LEU 13 13.286 13.096 -4.112 83 HB3 LEU 13 HB1 LEU 13 14.159 14.468 -4.777 84 HG LEU 13 HG LEU 13 13.333 15.931 -3.067 85 HD11 LEU 13 HD11 LEU 13 11.769 14.881 -1.283 86 HD12 LEU 13 HD12 LEU 13 11.463 13.634 -2.492 87 HD13 LEU 13 HD13 LEU 13 11.057 15.312 -2.836 88 HD21 LEU 13 HD21 LEU 13 15.169 14.393 -2.419 89 HD22 LEU 13 HD22 LEU 13 13.969 13.264 -1.789 90 HD23 LEU 13 HD23 LEU 13 14.162 14.852 -1.046 91 H TYR 14 HN TYR 14 13.709 16.177 -5.824 92 HA TYR 14 HA TYR 14 12.916 18.576 -4.672 93 HB2 TYR 14 HB2 TYR 14 13.897 18.561 -7.510 94 HB3 TYR 14 HB1 TYR 14 14.358 19.622 -6.184 95 HD1 TYR 14 HD1 TYR 14 15.472 18.440 -4.092 96 HD2 TYR 14 HD2 TYR 14 15.268 16.772 -8.020 97 HE1 TYR 14 HE1 TYR 14 17.355 16.920 -3.540 98 HE2 TYR 14 HE2 TYR 14 17.138 15.248 -7.492 99 HH TYR 14 HH TYR 14 18.531 14.527 -5.912 100 H GLN 15 HN GLN 15 11.836 17.210 -7.755 101 HA GLN 15 HA GLN 15 9.996 19.359 -8.339 102 HB2 GLN 15 HB2 GLN 15 10.098 16.472 -9.245 103 HB3 GLN 15 HB1 GLN 15 8.869 17.602 -9.800 104 HG2 GLN 15 HG2 GLN 15 10.772 19.131 -10.511 105 HG3 GLN 15 HG1 GLN 15 11.859 17.779 -10.208 106 HE21 GLN 15 HE21 GLN 15 8.608 17.994 -11.674 107 HE22 GLN 15 HE22 GLN 15 9.037 17.202 -13.105 108 H LEU 16 HN LEU 16 9.851 16.428 -6.387 109 HA LEU 16 HA LEU 16 6.986 16.671 -5.936 110 HB2 LEU 16 HB2 LEU 16 9.131 14.911 -4.984 111 HB3 LEU 16 HB1 LEU 16 7.947 15.255 -3.742 112 HG LEU 16 HG LEU 16 6.156 14.580 -5.369 113 HD11 LEU 16 HD11 LEU 16 7.334 14.902 -7.443 114 HD12 LEU 16 HD12 LEU 16 6.935 13.190 -7.292 115 HD13 LEU 16 HD13 LEU 16 8.577 13.746 -6.964 116 HD21 LEU 16 HD21 LEU 16 6.914 12.082 -5.306 117 HD22 LEU 16 HD22 LEU 16 6.660 12.932 -3.783 118 HD23 LEU 16 HD23 LEU 16 8.296 12.696 -4.400 119 H GLU 17 HN GLU 17 9.902 17.794 -4.400 120 HA GLU 17 HA GLU 17 8.744 18.726 -2.000 121 HB2 GLU 17 HB2 GLU 17 11.135 19.751 -3.526 122 HB3 GLU 17 HB1 GLU 17 10.728 20.146 -1.870 123 HG2 GLU 17 HG2 GLU 17 10.719 17.507 -1.581 124 HG3 GLU 17 HG1 GLU 17 11.744 17.561 -2.990 125 H ASN 18 HN ASN 18 9.204 20.170 -5.116 126 HA ASN 18 HA ASN 18 8.666 22.861 -4.661 127 HB2 ASN 18 HB2 ASN 18 8.295 20.954 -6.896 128 HB3 ASN 18 HB1 ASN 18 7.281 22.377 -7.002 129 HD21 ASN 18 HD21 ASN 18 10.172 21.265 -8.084 130 HD22 ASN 18 HD22 ASN 18 11.046 22.716 -8.175 131 H TYR 19 HN TYR 19 6.415 20.216 -4.864 132 HA TYR 19 HA TYR 19 4.072 21.966 -4.643 133 HB2 TYR 19 HB2 TYR 19 4.210 18.960 -4.555 134 HB3 TYR 19 HB1 TYR 19 2.825 19.950 -4.988 135 HD1 TYR 19 HD1 TYR 19 3.440 21.789 -6.872 136 HD2 TYR 19 HD2 TYR 19 5.391 18.040 -6.342 137 HE1 TYR 19 HE1 TYR 19 4.209 21.884 -9.225 138 HE2 TYR 19 HE2 TYR 19 6.200 18.118 -8.694 139 HH TYR 19 HH TYR 19 6.430 19.447 -10.509 140 H CYS 20 HN CYS 20 6.168 20.931 -2.241 141 HA CYS 20 HA CYS 20 4.135 20.025 -0.366 142 HB2 CYS 20 HB2 CYS 20 6.822 21.183 0.296 143 HB3 CYS 20 HB1 CYS 20 5.805 20.239 1.307 144 H ASN 21 HN ASN 21 2.653 21.828 -0.863 145 HA ASN 21 HA ASN 21 1.618 23.853 -0.310 146 HB2 ASN 21 HB2 ASN 21 1.666 22.838 1.910 147 HB3 ASN 21 HB1 ASN 21 3.310 23.405 2.162 148 HD21 ASN 21 HD21 ASN 21 0.874 25.389 0.519 149 HD22 ASN 21 HD22 ASN 21 0.737 26.550 1.749 150 H1 PHE 22 HT1 PHE 22 16.177 10.076 -3.732 151 H2 PHE 22 HT2 PHE 22 16.417 8.485 -4.278 152 H3 PHE 22 HT3 PHE 22 16.142 8.788 -2.629 153 HA PHE 22 HA PHE 22 13.962 8.696 -2.875 154 HB2 PHE 22 HB2 PHE 22 14.401 11.080 -3.900 155 HB3 PHE 22 HB1 PHE 22 14.013 10.302 -5.431 156 HD1 PHE 22 HD1 PHE 22 12.716 10.564 -1.915 157 HD2 PHE 22 HD2 PHE 22 11.754 10.202 -6.089 158 HE1 PHE 22 HE1 PHE 22 10.302 10.734 -1.375 159 HE2 PHE 22 HE2 PHE 22 9.341 10.372 -5.545 160 HZ PHE 22 HZ PHE 22 8.616 10.640 -3.189 161 H VAL 23 HN VAL 23 12.917 8.880 -5.884 162 HA VAL 23 HA VAL 23 13.938 6.296 -6.891 163 HB VAL 23 HB VAL 23 12.176 5.577 -5.407 164 HG11 VAL 23 HG11 VAL 23 9.892 6.484 -5.657 165 HG12 VAL 23 HG12 VAL 23 10.485 7.615 -6.873 166 HG13 VAL 23 HG13 VAL 23 11.046 7.738 -5.205 167 HG21 VAL 23 HG21 VAL 23 12.335 4.654 -7.819 168 HG22 VAL 23 HG22 VAL 23 10.905 5.631 -8.153 169 HG23 VAL 23 HG23 VAL 23 10.837 4.353 -6.940 170 H ASN 24 HN ASN 24 12.975 5.802 -9.047 171 HA ASN 24 HA ASN 24 12.147 8.272 -10.539 172 HB2 ASN 24 HB2 ASN 24 14.140 6.104 -11.222 173 HB3 ASN 24 HB1 ASN 24 13.363 7.049 -12.489 174 HD21 ASN 24 HD21 ASN 24 13.722 9.446 -12.433 175 HD22 ASN 24 HD22 ASN 24 15.109 10.065 -11.676 176 H GLN 25 HN GLN 25 9.989 7.261 -9.860 177 HA GLN 25 HA GLN 25 9.182 5.095 -11.781 178 HB2 GLN 25 HB2 GLN 25 8.576 5.608 -8.892 179 HB3 GLN 25 HB1 GLN 25 7.283 4.919 -9.860 180 HG2 GLN 25 HG2 GLN 25 8.865 3.111 -10.588 181 HG3 GLN 25 HG1 GLN 25 10.073 3.780 -9.489 182 HE21 GLN 25 HE21 GLN 25 7.071 4.310 -8.083 183 HE22 GLN 25 HE22 GLN 25 6.996 2.934 -7.092 184 H HIS 26 HN HIS 26 6.773 5.181 -12.210 185 HA HIS 26 HA HIS 26 6.007 7.952 -12.944 186 HB2 HIS 26 HB2 HIS 26 5.103 5.182 -13.736 187 HB3 HIS 26 HB1 HIS 26 4.021 6.547 -13.999 188 HD2 HIS 26 HD2 HIS 26 7.569 5.319 -15.262 189 HE1 HIS 26 HE1 HIS 26 6.211 8.402 -17.810 190 HE2 HIS 26 HE2 HIS 26 8.027 6.661 -17.442 191 H LEU 27 HN LEU 27 5.412 8.767 -10.898 192 HA LEU 27 HA LEU 27 3.536 7.281 -9.208 193 HB2 LEU 27 HB2 LEU 27 4.321 10.180 -8.866 194 HB3 LEU 27 HB1 LEU 27 3.797 9.019 -7.658 195 HG LEU 27 HG LEU 27 6.358 8.616 -9.203 196 HD11 LEU 27 HD11 LEU 27 5.974 10.022 -6.545 197 HD12 LEU 27 HD12 LEU 27 6.477 10.792 -8.050 198 HD13 LEU 27 HD13 LEU 27 7.527 9.606 -7.272 199 HD21 LEU 27 HD21 LEU 27 6.890 7.242 -7.190 200 HD22 LEU 27 HD22 LEU 27 5.458 6.657 -8.035 201 HD23 LEU 27 HD23 LEU 27 5.285 7.597 -6.553 202 H CYS 28 HN CYS 28 1.343 7.726 -8.931 203 HA CYS 28 HA CYS 28 0.189 10.051 -10.389 204 HB2 CYS 28 HB2 CYS 28 -0.893 7.238 -10.691 205 HB3 CYS 28 HB1 CYS 28 -1.479 8.694 -11.496 206 H GLY 29 HN GLY 29 -1.143 11.079 -9.075 207 HA2 GLY 29 HA2 GLY 29 -2.342 11.539 -7.098 208 HA3 GLY 29 HA1 GLY 29 -3.338 10.239 -7.723 209 H SER 30 HN SER 30 -3.509 8.416 -6.511 210 HA SER 30 HA SER 30 -2.876 8.178 -3.877 211 HB2 SER 30 HB2 SER 30 -2.708 5.882 -5.843 212 HB3 SER 30 HB1 SER 30 -2.979 5.739 -4.108 213 HG SER 30 HG SER 30 -4.781 7.380 -4.766 214 H ASP 31 HN ASP 31 -0.727 6.709 -6.355 215 HA ASP 31 HA ASP 31 1.362 6.156 -4.476 216 HB2 ASP 31 HB2 ASP 31 1.895 6.682 -7.398 217 HB3 ASP 31 HB1 ASP 31 2.635 5.489 -6.331 218 H LEU 32 HN LEU 32 0.844 8.852 -6.724 219 HA LEU 32 HA LEU 32 3.254 10.273 -6.086 220 HB2 LEU 32 HB2 LEU 32 2.066 10.741 -8.129 221 HB3 LEU 32 HB1 LEU 32 0.586 11.096 -7.248 222 HG LEU 32 HG LEU 32 1.580 13.108 -6.294 223 HD11 LEU 32 HD11 LEU 32 3.845 12.896 -5.950 224 HD12 LEU 32 HD12 LEU 32 3.944 13.642 -7.537 225 HD13 LEU 32 HD13 LEU 32 4.094 11.912 -7.386 226 HD21 LEU 32 HD21 LEU 32 0.664 12.836 -8.804 227 HD22 LEU 32 HD22 LEU 32 2.316 13.270 -9.196 228 HD23 LEU 32 HD23 LEU 32 1.332 14.354 -8.231 229 H VAL 33 HN VAL 33 -0.065 11.110 -5.180 230 HA VAL 33 HA VAL 33 0.344 13.067 -3.309 231 HB VAL 33 HB VAL 33 -1.501 10.668 -3.204 232 HG11 VAL 33 HG11 VAL 33 -1.112 12.897 -1.248 233 HG12 VAL 33 HG12 VAL 33 -1.545 11.221 -0.952 234 HG13 VAL 33 HG13 VAL 33 -2.757 12.351 -1.554 235 HG21 VAL 33 HG21 VAL 33 -1.695 12.421 -5.023 236 HG22 VAL 33 HG22 VAL 33 -2.098 13.575 -3.753 237 HG23 VAL 33 HG23 VAL 33 -3.145 12.187 -4.047 238 H GLU 34 HN GLU 34 0.289 9.595 -2.561 239 HA GLU 34 HA GLU 34 1.242 9.782 0.100 240 HB2 GLU 34 HB2 GLU 34 1.599 7.623 -2.001 241 HB3 GLU 34 HB1 GLU 34 2.177 7.436 -0.344 242 HG2 GLU 34 HG2 GLU 34 -0.125 7.874 0.484 243 HG3 GLU 34 HG1 GLU 34 -0.687 7.971 -1.184 244 H ALA 35 HN ALA 35 2.949 9.695 -2.998 245 HA ALA 35 HA ALA 35 5.621 9.633 -1.972 246 HB1 ALA 35 HB1 ALA 35 6.313 10.184 -4.144 247 HB2 ALA 35 HB2 ALA 35 4.939 11.249 -4.435 248 HB3 ALA 35 HB3 ALA 35 4.727 9.502 -4.472 249 H LEU 36 HN LEU 36 3.262 12.267 -2.415 250 HA LEU 36 HA LEU 36 5.213 14.285 -1.700 251 HB2 LEU 36 HB2 LEU 36 2.220 14.287 -1.880 252 HB3 LEU 36 HB1 LEU 36 3.138 15.706 -1.382 253 HG LEU 36 HG LEU 36 3.750 14.215 -3.954 254 HD11 LEU 36 HD11 LEU 36 1.762 14.895 -4.725 255 HD12 LEU 36 HD12 LEU 36 2.394 16.533 -4.669 256 HD13 LEU 36 HD13 LEU 36 1.450 15.922 -3.335 257 HD21 LEU 36 HD21 LEU 36 4.585 16.647 -4.499 258 HD22 LEU 36 HD22 LEU 36 5.575 15.657 -3.439 259 HD23 LEU 36 HD23 LEU 36 4.533 16.898 -2.758 260 H TYR 37 HN TYR 37 2.365 12.955 0.016 261 HA TYR 37 HA TYR 37 2.756 14.082 2.541 262 HB2 TYR 37 HB2 TYR 37 0.869 12.574 1.972 263 HB3 TYR 37 HB1 TYR 37 1.985 11.205 1.958 264 HD1 TYR 37 HD2 TYR 37 3.200 10.561 4.042 265 HD2 TYR 37 HD1 TYR 37 0.094 13.513 4.014 266 HE1 TYR 37 HE2 TYR 37 3.002 10.367 6.508 267 HE2 TYR 37 HE1 TYR 37 -0.105 13.334 6.476 268 HH TYR 37 HH TYR 37 2.191 11.538 8.382 269 H LEU 38 HN LEU 38 4.534 11.565 0.929 270 HA LEU 38 HA LEU 38 6.103 10.722 3.215 271 HB2 LEU 38 HB2 LEU 38 5.638 9.356 1.161 272 HB3 LEU 38 HB1 LEU 38 6.630 10.463 0.231 273 HG LEU 38 HG LEU 38 7.894 9.312 2.682 274 HD11 LEU 38 HD11 LEU 38 7.389 7.675 0.180 275 HD12 LEU 38 HD12 LEU 38 6.756 7.334 1.790 276 HD13 LEU 38 HD13 LEU 38 8.489 7.218 1.481 277 HD21 LEU 38 HD21 LEU 38 8.901 10.847 0.752 278 HD22 LEU 38 HD22 LEU 38 9.084 9.308 -0.080 279 HD23 LEU 38 HD23 LEU 38 9.875 9.569 1.473 280 H VAL 39 HN VAL 39 6.605 12.779 0.379 281 HA VAL 39 HA VAL 39 9.245 13.696 1.175 282 HB VAL 39 HB VAL 39 7.231 14.529 -0.919 283 HG11 VAL 39 HG11 VAL 39 8.309 16.580 -0.414 284 HG12 VAL 39 HG12 VAL 39 9.086 15.941 -1.854 285 HG13 VAL 39 HG13 VAL 39 9.881 15.792 -0.287 286 HG21 VAL 39 HG21 VAL 39 8.328 12.498 -1.481 287 HG22 VAL 39 HG22 VAL 39 9.881 13.110 -0.953 288 HG23 VAL 39 HG23 VAL 39 9.131 13.752 -2.413 289 H CYS 40 HN CYS 40 6.168 15.431 0.782 290 HA CYS 40 HA CYS 40 6.998 17.791 2.159 291 HB2 CYS 40 HB2 CYS 40 4.205 16.745 1.742 292 HB3 CYS 40 HB1 CYS 40 4.682 18.423 1.925 293 H GLY 41 HN GLY 41 4.907 15.084 3.245 294 HA2 GLY 41 HA2 GLY 41 4.389 14.384 5.420 295 HA3 GLY 41 HA1 GLY 41 5.815 15.262 5.962 296 H GLU 42 HN GLU 42 5.318 16.801 7.422 297 HA GLU 42 HA GLU 42 2.657 17.643 7.993 298 HB2 GLU 42 HB2 GLU 42 4.374 17.753 9.695 299 HB3 GLU 42 HB1 GLU 42 5.321 18.881 8.725 300 HG2 GLU 42 HG2 GLU 42 3.739 20.629 9.007 301 HG3 GLU 42 HG1 GLU 42 2.496 19.520 9.587 302 H ARG 43 HN ARG 43 5.241 19.285 6.157 303 HA ARG 43 HA ARG 43 4.092 21.773 5.771 304 HB2 ARG 43 HB2 ARG 43 5.267 20.337 3.392 305 HB3 ARG 43 HB1 ARG 43 5.424 22.030 3.858 306 HG2 ARG 43 HG2 ARG 43 6.747 21.312 5.840 307 HG3 ARG 43 HG1 ARG 43 6.659 19.655 5.248 308 HD2 ARG 43 HD2 ARG 43 7.497 21.247 3.052 309 HD3 ARG 43 HD1 ARG 43 8.460 21.741 4.432 310 HE ARG 43 HE ARG 43 8.557 19.234 2.987 311 HH11 ARG 43 HH21 ARG 43 8.743 20.542 6.158 312 HH12 ARG 43 HH22 ARG 43 9.612 19.190 6.804 313 HH21 ARG 43 HH11 ARG 43 9.686 17.460 3.801 314 HH22 ARG 43 HH12 ARG 43 10.145 17.446 5.471 315 H GLY 44 HN GLY 44 2.810 18.741 4.667 316 HA2 GLY 44 HA2 GLY 44 0.737 18.356 3.579 317 HA3 GLY 44 HA1 GLY 44 0.436 20.099 3.644 318 H PHE 45 HN PHE 45 -0.288 19.299 1.240 319 HA PHE 45 HA PHE 45 1.796 20.362 -0.492 320 HB2 PHE 45 HB2 PHE 45 1.947 18.228 -1.863 321 HB3 PHE 45 HB1 PHE 45 2.738 18.198 -0.299 322 HD1 PHE 45 HD1 PHE 45 -0.221 17.077 -2.178 323 HD2 PHE 45 HD2 PHE 45 1.942 16.845 1.498 324 HE1 PHE 45 HE1 PHE 45 -1.600 15.123 -1.492 325 HE2 PHE 45 HE2 PHE 45 0.586 14.894 2.194 326 HZ PHE 45 HZ PHE 45 -1.182 14.034 0.703 327 H 23F 46 HN 23F 46 1.027 20.201 -3.026 328 HB 23F 46 HB 23F 46 -2.095 21.698 -4.808 329 HD1 23F 46 HD1 23F 46 1.224 22.073 -2.651 330 HD2 23F 46 HD2 23F 46 -1.787 24.044 -5.228 331 HE1 23F 46 HE1 23F 46 2.514 24.213 -2.557 332 HE2 23F 46 HE2 23F 46 -0.489 26.110 -5.103 333 HZ 23F 46 HZ 23F 46 1.666 26.255 -3.782 334 H TYR 47 HN TYR 47 -3.257 19.428 -2.513 335 HA TYR 47 HA TYR 47 -4.227 17.878 -4.703 336 HB2 TYR 47 HB2 TYR 47 -2.127 16.523 -3.255 337 HB3 TYR 47 HB1 TYR 47 -3.624 15.709 -2.870 338 HD1 TYR 47 HD2 TYR 47 -5.233 15.390 -5.011 339 HD2 TYR 47 HD1 TYR 47 -0.946 15.764 -5.147 340 HE1 TYR 47 HE2 TYR 47 -5.197 14.222 -7.197 341 HE2 TYR 47 HE1 TYR 47 -0.921 14.582 -7.321 342 HH TYR 47 HH TYR 47 -3.269 14.311 -9.298 343 H THR 48 HN THR 48 -6.282 18.462 -4.186 344 HA THR 48 HA THR 48 -7.233 18.151 -1.380 345 HB THR 48 HB THR 48 -9.165 19.440 -2.091 346 HG1 THR 48 HG1 THR 48 -9.370 20.033 -4.268 347 HG21 THR 48 HG21 THR 48 -6.566 20.526 -3.205 348 HG22 THR 48 HG22 THR 48 -7.195 20.760 -1.574 349 HG23 THR 48 HG23 THR 48 -8.018 21.493 -2.951 350 H LYS 49 HN LYS 49 -6.810 16.074 -3.763 351 HA LYS 49 HA LYS 49 -7.937 14.161 -4.564 352 HB2 LYS 49 HB2 LYS 49 -9.187 14.338 -1.820 353 HB3 LYS 49 HB1 LYS 49 -9.098 12.907 -2.838 354 HG2 LYS 49 HG2 LYS 49 -7.222 12.500 -1.543 355 HG3 LYS 49 HG1 LYS 49 -6.468 13.481 -2.795 356 HD2 LYS 49 HD2 LYS 49 -6.583 15.459 -1.404 357 HD3 LYS 49 HD1 LYS 49 -7.561 14.619 -0.201 358 HE2 LYS 49 HE2 LYS 49 -5.694 13.069 0.238 359 HE3 LYS 49 HE1 LYS 49 -4.714 13.910 -0.963 360 HZ1 LYS 49 HZ1 LYS 49 -4.159 15.401 0.554 361 HZ2 LYS 49 HZ2 LYS 49 -5.044 14.548 1.727 362 HZ3 LYS 49 HZ3 LYS 49 -5.787 15.787 0.832 363 HA PRO 50 HA PRO 50 -11.682 16.755 -5.434 364 HB2 PRO 50 HB2 PRO 50 -11.210 15.836 -8.199 365 HB3 PRO 50 HB1 PRO 50 -11.393 17.489 -7.594 366 HG2 PRO 50 HG2 PRO 50 -8.978 16.388 -8.421 367 HG3 PRO 50 HG1 PRO 50 -9.126 17.753 -7.300 368 HD2 PRO 50 HD2 PRO 50 -8.394 14.937 -6.711 369 HD3 PRO 50 HD1 PRO 50 -8.064 16.399 -5.771 370 H THR 51 HN THR 51 -11.120 13.956 -7.567 371 HA THR 51 HA THR 51 -13.799 12.955 -7.270 372 HB THR 51 HB THR 51 -12.466 12.395 -9.238 373 HG1 THR 51 HG1 THR 51 -13.752 10.738 -9.067 374 HG21 THR 51 HG21 THR 51 -10.505 10.925 -9.054 375 HG22 THR 51 HG22 THR 51 -10.677 10.904 -7.299 376 HG23 THR 51 HG23 THR 51 -10.259 12.404 -8.126 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -0.627 19.264 -11.746 2 H2 GLY 1 HT2 GLY 1 -1.162 20.477 -12.807 3 H3 GLY 1 HT3 GLY 1 -0.450 20.898 -11.324 4 HA2 GLY 1 HA2 GLY 1 0.777 20.550 -13.895 5 HA3 GLY 1 HA1 GLY 1 1.548 20.835 -12.310 6 H ILE 2 HN ILE 2 1.253 19.062 -10.566 7 HA ILE 2 HA ILE 2 3.916 18.078 -10.959 8 HB ILE 2 HB ILE 2 3.003 18.348 -8.724 9 HG12 ILE 2 HG12 ILE 2 3.448 15.397 -9.337 10 HG13 ILE 2 HG11 ILE 2 4.704 16.583 -9.031 11 HG21 ILE 2 HG21 ILE 2 1.205 16.666 -7.962 12 HG22 ILE 2 HG22 ILE 2 0.924 16.372 -9.672 13 HG23 ILE 2 HG23 ILE 2 0.680 17.979 -9.006 14 HD11 ILE 2 HD11 ILE 2 4.481 15.677 -6.926 15 HD12 ILE 2 HD12 ILE 2 2.762 15.356 -7.147 16 HD13 ILE 2 HD13 ILE 2 3.315 16.993 -6.830 17 H VAL 3 HN VAL 3 0.759 16.787 -11.782 18 HA VAL 3 HA VAL 3 1.489 14.066 -12.137 19 HB VAL 3 HB VAL 3 -0.584 15.724 -13.600 20 HG11 VAL 3 HG11 VAL 3 -0.145 13.650 -14.801 21 HG12 VAL 3 HG12 VAL 3 -1.679 13.505 -13.944 22 HG13 VAL 3 HG13 VAL 3 -0.233 12.730 -13.299 23 HG21 VAL 3 HG21 VAL 3 -2.097 14.640 -11.895 24 HG22 VAL 3 HG22 VAL 3 -0.933 15.769 -11.201 25 HG23 VAL 3 HG23 VAL 3 -0.655 14.032 -11.083 26 H GLU 4 HN GLU 4 1.417 16.704 -14.573 27 HA GLU 4 HA GLU 4 2.247 15.229 -16.808 28 HB2 GLU 4 HB2 GLU 4 1.648 17.545 -17.054 29 HB3 GLU 4 HB1 GLU 4 2.952 18.056 -15.985 30 HG2 GLU 4 HG2 GLU 4 4.613 17.647 -17.580 31 HG3 GLU 4 HG1 GLU 4 3.624 16.493 -18.471 32 H GLN 5 HN GLN 5 4.516 17.115 -14.763 33 HA GLN 5 HA GLN 5 6.814 15.992 -15.960 34 HB2 GLN 5 HB2 GLN 5 6.509 17.144 -13.174 35 HB3 GLN 5 HB1 GLN 5 8.045 16.849 -13.984 36 HG2 GLN 5 HG2 GLN 5 7.678 19.108 -14.476 37 HG3 GLN 5 HG1 GLN 5 7.020 18.322 -15.906 38 HE21 GLN 5 HE21 GLN 5 5.755 18.991 -12.598 39 HE22 GLN 5 HE22 GLN 5 4.291 19.665 -13.131 40 H CYS 6 HN CYS 6 5.048 14.919 -13.062 41 HA CYS 6 HA CYS 6 7.002 12.787 -12.539 42 HB2 CYS 6 HB2 CYS 6 4.317 13.089 -11.228 43 HB3 CYS 6 HB1 CYS 6 5.803 12.451 -10.525 44 H CYS 7 HN CYS 7 3.574 12.870 -13.584 45 HA CYS 7 HA CYS 7 3.571 9.954 -13.893 46 HB2 CYS 7 HB2 CYS 7 1.561 11.252 -13.170 47 HB3 CYS 7 HB1 CYS 7 1.479 11.956 -14.781 48 H THR 8 HN THR 8 3.212 12.692 -16.212 49 HA THR 8 HA THR 8 3.389 10.922 -18.499 50 HB THR 8 HB THR 8 4.081 13.863 -18.570 51 HG1 THR 8 HG1 THR 8 1.835 12.733 -17.641 52 HG21 THR 8 HG21 THR 8 2.483 12.157 -20.480 53 HG22 THR 8 HG22 THR 8 4.229 12.374 -20.609 54 HG23 THR 8 HG23 THR 8 3.153 13.763 -20.770 55 H SER 9 HN SER 9 5.675 12.599 -16.496 56 HA SER 9 HA SER 9 7.927 11.321 -17.992 57 HB2 SER 9 HB2 SER 9 7.789 14.180 -17.007 58 HB3 SER 9 HB1 SER 9 9.265 13.401 -17.545 59 HG SER 9 HG SER 9 6.916 13.532 -19.123 60 H ILE 10 HN ILE 10 9.971 11.492 -16.427 61 HA ILE 10 HA ILE 10 9.011 10.516 -13.807 62 HB ILE 10 HB ILE 10 11.865 10.745 -14.813 63 HG12 ILE 10 HG12 ILE 10 9.747 8.598 -15.087 64 HG13 ILE 10 HG11 ILE 10 10.812 9.255 -16.326 65 HG21 ILE 10 HG21 ILE 10 10.722 8.963 -12.641 66 HG22 ILE 10 HG22 ILE 10 11.418 10.543 -12.293 67 HG23 ILE 10 HG23 ILE 10 12.419 9.279 -12.992 68 HD11 ILE 10 HD11 ILE 10 11.813 7.190 -15.901 69 HD12 ILE 10 HD12 ILE 10 11.411 7.235 -14.186 70 HD13 ILE 10 HD13 ILE 10 12.721 8.238 -14.810 71 H CYS 11 HN CYS 11 9.173 11.636 -11.922 72 HA CYS 11 HA CYS 11 10.146 14.455 -12.077 73 HB2 CYS 11 HB2 CYS 11 8.081 12.999 -10.502 74 HB3 CYS 11 HB1 CYS 11 8.926 14.276 -9.639 75 H SER 12 HN SER 12 10.731 15.057 -9.592 76 HA SER 12 HA SER 12 12.667 13.077 -8.512 77 HB2 SER 12 HB2 SER 12 13.631 15.870 -8.431 78 HB3 SER 12 HB1 SER 12 14.502 14.401 -8.858 79 HG SER 12 HG SER 12 14.176 14.873 -10.869 80 H LEU 13 HN LEU 13 13.140 13.507 -6.295 81 HA LEU 13 HA LEU 13 11.039 14.014 -4.571 82 HB2 LEU 13 HB2 LEU 13 13.113 13.111 -3.761 83 HB3 LEU 13 HB1 LEU 13 14.008 14.532 -4.280 84 HG LEU 13 HG LEU 13 13.001 15.888 -2.576 85 HD11 LEU 13 HD11 LEU 13 11.318 14.712 -0.991 86 HD12 LEU 13 HD12 LEU 13 11.152 13.523 -2.282 87 HD13 LEU 13 HD13 LEU 13 10.731 15.206 -2.577 88 HD21 LEU 13 HD21 LEU 13 13.596 14.629 -0.520 89 HD22 LEU 13 HD22 LEU 13 14.815 14.471 -1.786 90 HD23 LEU 13 HD23 LEU 13 13.683 13.152 -1.480 91 H TYR 14 HN TYR 14 13.609 16.282 -5.278 92 HA TYR 14 HA TYR 14 12.663 18.601 -4.078 93 HB2 TYR 14 HB2 TYR 14 13.879 18.757 -6.819 94 HB3 TYR 14 HB1 TYR 14 14.204 19.752 -5.404 95 HD1 TYR 14 HD1 TYR 14 15.168 18.476 -3.291 96 HD2 TYR 14 HD2 TYR 14 15.325 17.022 -7.306 97 HE1 TYR 14 HE1 TYR 14 17.032 16.961 -2.666 98 HE2 TYR 14 HE2 TYR 14 17.180 15.504 -6.705 99 HH TYR 14 HH TYR 14 18.967 15.395 -4.948 100 H GLN 15 HN GLN 15 11.883 17.377 -7.306 101 HA GLN 15 HA GLN 15 10.049 19.515 -7.944 102 HB2 GLN 15 HB2 GLN 15 10.290 16.678 -8.973 103 HB3 GLN 15 HB1 GLN 15 9.102 17.821 -9.587 104 HG2 GLN 15 HG2 GLN 15 11.032 19.402 -10.047 105 HG3 GLN 15 HG1 GLN 15 12.113 18.057 -9.694 106 HE21 GLN 15 HE21 GLN 15 9.028 18.319 -11.479 107 HE22 GLN 15 HE22 GLN 15 9.607 17.579 -12.886 108 H LEU 16 HN LEU 16 9.811 16.486 -6.156 109 HA LEU 16 HA LEU 16 6.913 16.647 -5.944 110 HB2 LEU 16 HB2 LEU 16 9.011 14.884 -4.897 111 HB3 LEU 16 HB1 LEU 16 7.710 15.134 -3.753 112 HG LEU 16 HG LEU 16 6.092 14.509 -5.568 113 HD11 LEU 16 HD11 LEU 16 7.075 13.253 -7.491 114 HD12 LEU 16 HD12 LEU 16 8.666 13.824 -6.987 115 HD13 LEU 16 HD13 LEU 16 7.438 14.978 -7.510 116 HD21 LEU 16 HD21 LEU 16 6.919 12.030 -5.581 117 HD22 LEU 16 HD22 LEU 16 6.496 12.781 -4.044 118 HD23 LEU 16 HD23 LEU 16 8.189 12.624 -4.514 119 H GLU 17 HN GLU 17 9.657 17.752 -4.111 120 HA GLU 17 HA GLU 17 8.275 18.531 -1.776 121 HB2 GLU 17 HB2 GLU 17 10.762 19.680 -3.035 122 HB3 GLU 17 HB1 GLU 17 10.204 19.985 -1.405 123 HG2 GLU 17 HG2 GLU 17 10.231 17.335 -1.244 124 HG3 GLU 17 HG1 GLU 17 11.376 17.480 -2.551 125 H ASN 18 HN ASN 18 8.964 20.141 -4.765 126 HA ASN 18 HA ASN 18 8.313 22.793 -4.229 127 HB2 ASN 18 HB2 ASN 18 8.194 20.993 -6.577 128 HB3 ASN 18 HB1 ASN 18 7.152 22.394 -6.704 129 HD21 ASN 18 HD21 ASN 18 10.183 21.393 -7.531 130 HD22 ASN 18 HD22 ASN 18 11.007 22.875 -7.496 131 H TYR 19 HN TYR 19 6.167 20.105 -4.760 132 HA TYR 19 HA TYR 19 3.764 21.783 -4.652 133 HB2 TYR 19 HB2 TYR 19 3.972 18.783 -4.712 134 HB3 TYR 19 HB1 TYR 19 2.606 19.766 -5.214 135 HD1 TYR 19 HD1 TYR 19 3.335 21.714 -6.940 136 HD2 TYR 19 HD2 TYR 19 5.325 17.985 -6.431 137 HE1 TYR 19 HE1 TYR 19 4.304 21.949 -9.210 138 HE2 TYR 19 HE2 TYR 19 6.336 18.202 -8.695 139 HH TYR 19 HH TYR 19 6.296 21.095 -10.441 140 H CYS 20 HN CYS 20 5.674 20.694 -2.136 141 HA CYS 20 HA CYS 20 3.517 19.621 -0.490 142 HB2 CYS 20 HB2 CYS 20 6.128 20.775 0.430 143 HB3 CYS 20 HB1 CYS 20 5.058 19.773 1.324 144 H ASN 21 HN ASN 21 2.065 21.467 -1.042 145 HA ASN 21 HA ASN 21 0.998 23.487 -0.489 146 HB2 ASN 21 HB2 ASN 21 0.750 22.213 1.602 147 HB3 ASN 21 HB1 ASN 21 2.300 22.826 2.165 148 HD21 ASN 21 HD21 ASN 21 1.928 24.452 3.682 149 HD22 ASN 21 HD22 ASN 21 0.730 25.648 3.556 150 H1 PHE 22 HT1 PHE 22 16.393 9.637 -4.186 151 H2 PHE 22 HT2 PHE 22 16.320 8.290 -3.153 152 H3 PHE 22 HT3 PHE 22 15.984 9.844 -2.553 153 HA PHE 22 HA PHE 22 13.925 8.710 -2.830 154 HB2 PHE 22 HB2 PHE 22 14.339 11.172 -3.644 155 HB3 PHE 22 HB1 PHE 22 14.106 10.500 -5.255 156 HD1 PHE 22 HD1 PHE 22 12.522 10.460 -1.849 157 HD2 PHE 22 HD2 PHE 22 11.911 10.362 -6.103 158 HE1 PHE 22 HE1 PHE 22 10.068 10.498 -1.500 159 HE2 PHE 22 HE2 PHE 22 9.458 10.403 -5.750 160 HZ PHE 22 HZ PHE 22 8.535 10.472 -3.447 161 H VAL 23 HN VAL 23 13.117 9.082 -5.908 162 HA VAL 23 HA VAL 23 14.309 6.612 -7.001 163 HB VAL 23 HB VAL 23 12.482 5.720 -5.702 164 HG11 VAL 23 HG11 VAL 23 10.809 7.786 -7.149 165 HG12 VAL 23 HG12 VAL 23 11.244 7.813 -5.440 166 HG13 VAL 23 HG13 VAL 23 10.183 6.550 -6.060 167 HG21 VAL 23 HG21 VAL 23 11.314 4.552 -7.407 168 HG22 VAL 23 HG22 VAL 23 12.855 4.974 -8.151 169 HG23 VAL 23 HG23 VAL 23 11.408 5.912 -8.524 170 H ASN 24 HN ASN 24 13.523 6.228 -9.250 171 HA ASN 24 HA ASN 24 12.701 8.761 -10.637 172 HB2 ASN 24 HB2 ASN 24 14.818 6.711 -11.310 173 HB3 ASN 24 HB1 ASN 24 14.099 7.712 -12.567 174 HD21 ASN 24 HD21 ASN 24 13.864 10.199 -11.394 175 HD22 ASN 24 HD22 ASN 24 15.381 10.773 -10.892 176 H GLN 25 HN GLN 25 10.542 7.621 -10.175 177 HA GLN 25 HA GLN 25 9.962 5.564 -12.288 178 HB2 GLN 25 HB2 GLN 25 9.124 5.864 -9.427 179 HB3 GLN 25 HB1 GLN 25 7.930 5.204 -10.532 180 HG2 GLN 25 HG2 GLN 25 9.615 3.494 -11.254 181 HG3 GLN 25 HG1 GLN 25 10.724 4.125 -10.035 182 HE21 GLN 25 HE21 GLN 25 7.735 4.541 -8.682 183 HE22 GLN 25 HE22 GLN 25 7.591 3.074 -7.839 184 H HIS 26 HN HIS 26 7.590 5.597 -12.898 185 HA HIS 26 HA HIS 26 6.782 8.385 -13.516 186 HB2 HIS 26 HB2 HIS 26 6.048 5.646 -14.550 187 HB3 HIS 26 HB1 HIS 26 4.931 6.984 -14.806 188 HD2 HIS 26 HD2 HIS 26 8.660 6.052 -15.811 189 HE1 HIS 26 HE1 HIS 26 7.274 9.123 -18.358 190 HE2 HIS 26 HE2 HIS 26 9.193 7.522 -17.888 191 H LEU 27 HN LEU 27 6.003 9.051 -11.482 192 HA LEU 27 HA LEU 27 4.060 7.406 -10.034 193 HB2 LEU 27 HB2 LEU 27 4.704 10.305 -9.468 194 HB3 LEU 27 HB1 LEU 27 4.130 9.059 -8.373 195 HG LEU 27 HG LEU 27 6.820 8.841 -9.725 196 HD11 LEU 27 HD11 LEU 27 6.181 10.033 -7.013 197 HD12 LEU 27 HD12 LEU 27 6.735 10.940 -8.420 198 HD13 LEU 27 HD13 LEU 27 7.796 9.751 -7.664 199 HD21 LEU 27 HD21 LEU 27 5.566 7.601 -7.255 200 HD22 LEU 27 HD22 LEU 27 7.238 7.359 -7.756 201 HD23 LEU 27 HD23 LEU 27 5.921 6.776 -8.772 202 H CYS 28 HN CYS 28 1.838 7.747 -9.929 203 HA CYS 28 HA CYS 28 0.716 10.124 -11.328 204 HB2 CYS 28 HB2 CYS 28 -0.212 7.298 -11.908 205 HB3 CYS 28 HB1 CYS 28 -0.802 8.784 -12.655 206 H GLY 29 HN GLY 29 -0.760 11.011 -10.066 207 HA2 GLY 29 HA2 GLY 29 -2.141 11.290 -8.179 208 HA3 GLY 29 HA1 GLY 29 -3.021 9.995 -8.963 209 H SER 30 HN SER 30 -3.208 8.094 -7.890 210 HA SER 30 HA SER 30 -2.801 7.708 -5.232 211 HB2 SER 30 HB2 SER 30 -2.420 5.602 -7.372 212 HB3 SER 30 HB1 SER 30 -2.674 5.258 -5.664 213 HG SER 30 HG SER 30 -4.426 6.330 -7.577 214 H ASP 31 HN ASP 31 -0.371 6.491 -7.583 215 HA ASP 31 HA ASP 31 1.561 5.915 -5.548 216 HB2 ASP 31 HB2 ASP 31 2.292 6.612 -8.393 217 HB3 ASP 31 HB1 ASP 31 3.044 5.437 -7.315 218 H LEU 32 HN LEU 32 1.127 8.709 -7.696 219 HA LEU 32 HA LEU 32 3.411 10.179 -6.765 220 HB2 LEU 32 HB2 LEU 32 2.392 10.726 -8.880 221 HB3 LEU 32 HB1 LEU 32 0.825 10.976 -8.121 222 HG LEU 32 HG LEU 32 1.651 12.965 -6.965 223 HD11 LEU 32 HD11 LEU 32 3.883 12.826 -6.438 224 HD12 LEU 32 HD12 LEU 32 4.091 13.648 -7.976 225 HD13 LEU 32 HD13 LEU 32 4.295 11.920 -7.887 226 HD21 LEU 32 HD21 LEU 32 0.959 12.817 -9.550 227 HD22 LEU 32 HD22 LEU 32 2.625 13.313 -9.782 228 HD23 LEU 32 HD23 LEU 32 1.533 14.318 -8.843 229 H VAL 33 HN VAL 33 -0.008 10.853 -6.120 230 HA VAL 33 HA VAL 33 0.159 12.718 -4.122 231 HB VAL 33 HB VAL 33 -1.590 10.250 -4.266 232 HG11 VAL 33 HG11 VAL 33 -1.517 12.481 -2.272 233 HG12 VAL 33 HG12 VAL 33 -1.764 10.764 -1.998 234 HG13 VAL 33 HG13 VAL 33 -3.062 11.744 -2.681 235 HG21 VAL 33 HG21 VAL 33 -2.330 13.128 -4.756 236 HG22 VAL 33 HG22 VAL 33 -3.203 11.678 -5.247 237 HG23 VAL 33 HG23 VAL 33 -1.683 12.100 -6.034 238 H GLU 34 HN GLU 34 0.167 9.212 -3.554 239 HA GLU 34 HA GLU 34 0.881 9.291 -0.815 240 HB2 GLU 34 HB2 GLU 34 1.479 7.254 -2.982 241 HB3 GLU 34 HB1 GLU 34 1.943 7.000 -1.299 242 HG2 GLU 34 HG2 GLU 34 -0.451 7.365 -0.644 243 HG3 GLU 34 HG1 GLU 34 -0.864 7.431 -2.357 244 H ALA 35 HN ALA 35 2.847 9.419 -3.754 245 HA ALA 35 HA ALA 35 5.420 9.374 -2.502 246 HB1 ALA 35 HB1 ALA 35 4.903 11.100 -4.931 247 HB2 ALA 35 HB2 ALA 35 4.765 9.352 -5.074 248 HB3 ALA 35 HB3 ALA 35 6.285 10.068 -4.569 249 H LEU 36 HN LEU 36 3.027 11.968 -3.012 250 HA LEU 36 HA LEU 36 4.851 13.989 -2.023 251 HB2 LEU 36 HB2 LEU 36 1.886 13.930 -2.462 252 HB3 LEU 36 HB1 LEU 36 2.718 15.340 -1.808 253 HG LEU 36 HG LEU 36 3.585 14.016 -4.397 254 HD11 LEU 36 HD11 LEU 36 1.649 14.699 -5.290 255 HD12 LEU 36 HD12 LEU 36 2.234 16.343 -5.090 256 HD13 LEU 36 HD13 LEU 36 1.200 15.637 -3.876 257 HD21 LEU 36 HD21 LEU 36 4.406 16.485 -4.734 258 HD22 LEU 36 HD22 LEU 36 5.321 15.465 -3.637 259 HD23 LEU 36 HD23 LEU 36 4.188 16.647 -2.995 260 H TYR 37 HN TYR 37 1.908 12.496 -0.642 261 HA TYR 37 HA TYR 37 2.040 13.484 1.965 262 HB2 TYR 37 HB2 TYR 37 0.261 11.961 1.146 263 HB3 TYR 37 HB1 TYR 37 1.418 10.625 1.158 264 HD1 TYR 37 HD2 TYR 37 2.450 9.884 3.300 265 HD2 TYR 37 HD1 TYR 37 -0.708 12.777 3.160 266 HE1 TYR 37 HE2 TYR 37 2.043 9.544 5.724 267 HE2 TYR 37 HE1 TYR 37 -1.120 12.451 5.582 268 HH TYR 37 HH TYR 37 0.937 11.181 7.643 269 H LEU 38 HN LEU 38 4.029 11.106 0.386 270 HA LEU 38 HA LEU 38 5.424 10.177 2.749 271 HB2 LEU 38 HB2 LEU 38 5.189 8.916 0.595 272 HB3 LEU 38 HB1 LEU 38 6.206 10.108 -0.191 273 HG LEU 38 HG LEU 38 7.320 8.875 2.291 274 HD11 LEU 38 HD11 LEU 38 7.143 7.349 -0.324 275 HD12 LEU 38 HD12 LEU 38 6.298 6.924 1.165 276 HD13 LEU 38 HD13 LEU 38 8.059 6.851 1.098 277 HD21 LEU 38 HD21 LEU 38 8.725 9.051 -0.362 278 HD22 LEU 38 HD22 LEU 38 9.375 9.276 1.260 279 HD23 LEU 38 HD23 LEU 38 8.407 10.544 0.517 280 H VAL 39 HN VAL 39 6.074 12.432 0.105 281 HA VAL 39 HA VAL 39 8.616 13.362 1.177 282 HB VAL 39 HB VAL 39 6.779 14.250 -1.052 283 HG11 VAL 39 HG11 VAL 39 9.326 15.538 -0.121 284 HG12 VAL 39 HG12 VAL 39 7.751 16.297 -0.350 285 HG13 VAL 39 HG13 VAL 39 8.671 15.750 -1.743 286 HG21 VAL 39 HG21 VAL 39 9.464 12.907 -0.910 287 HG22 VAL 39 HG22 VAL 39 8.819 13.587 -2.401 288 HG23 VAL 39 HG23 VAL 39 7.982 12.271 -1.596 289 H CYS 40 HN CYS 40 5.528 15.031 0.598 290 HA CYS 40 HA CYS 40 6.171 17.336 2.164 291 HB2 CYS 40 HB2 CYS 40 3.449 16.261 1.452 292 HB3 CYS 40 HB1 CYS 40 3.876 17.937 1.738 293 H GLY 41 HN GLY 41 4.060 14.530 2.895 294 HA2 GLY 41 HA2 GLY 41 3.368 13.687 4.967 295 HA3 GLY 41 HA1 GLY 41 4.711 14.563 5.691 296 H GLU 42 HN GLU 42 4.084 16.076 7.130 297 HA GLU 42 HA GLU 42 1.342 16.778 7.531 298 HB2 GLU 42 HB2 GLU 42 2.909 16.842 9.378 299 HB3 GLU 42 HB1 GLU 42 3.884 18.061 8.558 300 HG2 GLU 42 HG2 GLU 42 2.201 19.725 8.795 301 HG3 GLU 42 HG1 GLU 42 0.972 18.532 9.218 302 H ARG 43 HN ARG 43 4.000 18.577 5.962 303 HA ARG 43 HA ARG 43 2.753 21.048 5.666 304 HB2 ARG 43 HB2 ARG 43 4.210 19.878 3.298 305 HB3 ARG 43 HB1 ARG 43 4.254 21.521 3.938 306 HG2 ARG 43 HG2 ARG 43 5.368 20.586 5.996 307 HG3 ARG 43 HG1 ARG 43 5.523 19.061 5.127 308 HD2 ARG 43 HD2 ARG 43 6.459 21.329 3.500 309 HD3 ARG 43 HD1 ARG 43 7.329 21.178 5.007 310 HE ARG 43 HE ARG 43 7.187 18.582 3.951 311 HH11 ARG 43 HH21 ARG 43 8.333 21.694 3.011 312 HH12 ARG 43 HH22 ARG 43 9.582 21.071 1.985 313 HH21 ARG 43 HH11 ARG 43 8.811 17.750 2.617 314 HH22 ARG 43 HH12 ARG 43 9.853 18.838 1.762 315 H GLY 44 HN GLY 44 1.693 18.045 4.313 316 HA2 GLY 44 HA2 GLY 44 -0.242 17.650 2.993 317 HA3 GLY 44 HA1 GLY 44 -0.613 19.376 3.115 318 H PHE 45 HN PHE 45 -1.066 18.779 0.600 319 HA PHE 45 HA PHE 45 1.188 19.948 -0.817 320 HB2 PHE 45 HB2 PHE 45 1.519 17.895 -2.289 321 HB3 PHE 45 HB1 PHE 45 2.146 17.797 -0.656 322 HD1 PHE 45 HD1 PHE 45 -0.593 16.739 -2.872 323 HD2 PHE 45 HD2 PHE 45 1.226 16.315 0.969 324 HE1 PHE 45 HE1 PHE 45 -1.980 14.716 -2.442 325 HE2 PHE 45 HE2 PHE 45 -0.139 14.297 1.416 326 HZ PHE 45 HZ PHE 45 -1.741 13.501 -0.283 327 H 23F 46 HN 23F 46 0.732 19.969 -3.413 328 HB 23F 46 HB 23F 46 -2.163 21.521 -5.497 329 HD1 23F 46 HD1 23F 46 0.853 21.804 -2.926 330 HD2 23F 46 HD2 23F 46 -1.825 23.883 -5.770 331 HE1 23F 46 HE1 23F 46 2.109 23.942 -2.583 332 HE2 23F 46 HE2 23F 46 -0.567 25.943 -5.398 333 HZ 23F 46 HZ 23F 46 1.408 26.032 -3.817 334 H TYR 47 HN TYR 47 -3.596 19.138 -3.512 335 HA TYR 47 HA TYR 47 -4.117 17.634 -5.925 336 HB2 TYR 47 HB2 TYR 47 -2.391 16.280 -4.119 337 HB3 TYR 47 HB1 TYR 47 -3.955 15.538 -3.873 338 HD1 TYR 47 HD2 TYR 47 -5.275 14.887 -5.990 339 HD2 TYR 47 HD1 TYR 47 -1.041 15.627 -5.958 340 HE1 TYR 47 HE2 TYR 47 -5.032 13.610 -8.111 341 HE2 TYR 47 HE1 TYR 47 -0.798 14.357 -8.072 342 HH TYR 47 HH TYR 47 -2.846 13.815 -10.135 343 H THR 48 HN THR 48 -4.745 17.111 -2.460 344 HA THR 48 HA THR 48 -6.743 17.671 -1.265 345 HB THR 48 HB THR 48 -8.365 17.512 -3.811 346 HG1 THR 48 HG1 THR 48 -6.454 19.317 -3.191 347 HG21 THR 48 HG21 THR 48 -9.742 19.188 -2.531 348 HG22 THR 48 HG22 THR 48 -8.680 18.925 -1.150 349 HG23 THR 48 HG23 THR 48 -9.653 17.596 -1.781 350 H LYS 49 HN LYS 49 -6.715 15.714 -0.243 351 HA LYS 49 HA LYS 49 -7.231 13.229 -1.603 352 HB2 LYS 49 HB2 LYS 49 -7.670 13.234 1.335 353 HB3 LYS 49 HB1 LYS 49 -6.600 12.236 0.359 354 HG2 LYS 49 HG2 LYS 49 -5.118 14.290 0.093 355 HG3 LYS 49 HG1 LYS 49 -6.101 15.054 1.341 356 HD2 LYS 49 HD2 LYS 49 -4.650 12.411 1.675 357 HD3 LYS 49 HD1 LYS 49 -4.053 13.962 2.264 358 HE2 LYS 49 HE2 LYS 49 -6.340 14.144 3.483 359 HE3 LYS 49 HE1 LYS 49 -6.473 12.412 3.179 360 HZ1 LYS 49 HZ1 LYS 49 -4.910 11.949 4.687 361 HZ2 LYS 49 HZ2 LYS 49 -5.222 13.506 5.289 362 HZ3 LYS 49 HZ3 LYS 49 -3.920 13.247 4.229 363 HA PRO 50 HA PRO 50 -11.536 13.701 0.689 364 HB2 PRO 50 HB2 PRO 50 -12.029 16.575 0.169 365 HB3 PRO 50 HB1 PRO 50 -12.362 15.631 1.630 366 HG2 PRO 50 HG2 PRO 50 -10.298 17.459 1.423 367 HG3 PRO 50 HG1 PRO 50 -10.289 16.079 2.535 368 HD2 PRO 50 HD2 PRO 50 -8.751 16.463 0.037 369 HD3 PRO 50 HD1 PRO 50 -8.417 15.388 1.401 370 H THR 51 HN THR 51 -11.174 16.277 -1.769 371 HA THR 51 HA THR 51 -12.118 14.563 -3.916 372 HB THR 51 HB THR 51 -14.248 15.022 -2.684 373 HG1 THR 51 HG1 THR 51 -15.315 15.896 -4.566 374 HG21 THR 51 HG21 THR 51 -15.107 17.239 -2.492 375 HG22 THR 51 HG22 THR 51 -13.847 17.893 -3.539 376 HG23 THR 51 HG23 THR 51 -13.440 17.321 -1.921 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 1.348 19.369 -15.055 2 H2 GLY 1 HT2 GLY 1 1.030 20.975 -14.602 3 H3 GLY 1 HT3 GLY 1 -0.254 19.885 -14.829 4 HA2 GLY 1 HA2 GLY 1 0.652 20.562 -12.392 5 HA3 GLY 1 HA1 GLY 1 0.159 18.897 -12.808 6 H ILE 2 HN ILE 2 1.500 18.973 -10.668 7 HA ILE 2 HA ILE 2 3.956 17.705 -11.052 8 HB ILE 2 HB ILE 2 3.113 18.193 -8.826 9 HG12 ILE 2 HG12 ILE 2 3.462 15.191 -9.206 10 HG13 ILE 2 HG11 ILE 2 4.755 16.363 -9.024 11 HG21 ILE 2 HG21 ILE 2 0.772 17.872 -9.016 12 HG22 ILE 2 HG22 ILE 2 1.290 16.642 -7.874 13 HG23 ILE 2 HG23 ILE 2 0.951 16.207 -9.542 14 HD11 ILE 2 HD11 ILE 2 4.563 15.625 -6.852 15 HD12 ILE 2 HD12 ILE 2 2.832 15.335 -7.005 16 HD13 ILE 2 HD13 ILE 2 3.435 16.976 -6.830 17 H VAL 3 HN VAL 3 0.734 16.424 -11.638 18 HA VAL 3 HA VAL 3 1.377 13.671 -11.798 19 HB VAL 3 HB VAL 3 -0.675 15.260 -13.364 20 HG11 VAL 3 HG11 VAL 3 -0.331 13.068 -14.369 21 HG12 VAL 3 HG12 VAL 3 -1.849 13.057 -13.473 22 HG13 VAL 3 HG13 VAL 3 -0.415 12.298 -12.785 23 HG21 VAL 3 HG21 VAL 3 -0.795 13.775 -10.719 24 HG22 VAL 3 HG22 VAL 3 -2.191 14.468 -11.545 25 HG23 VAL 3 HG23 VAL 3 -0.911 15.521 -10.941 26 H GLU 4 HN GLU 4 1.297 16.076 -14.468 27 HA GLU 4 HA GLU 4 2.064 14.382 -16.563 28 HB2 GLU 4 HB2 GLU 4 1.508 16.676 -17.022 29 HB3 GLU 4 HB1 GLU 4 2.837 17.259 -16.023 30 HG2 GLU 4 HG2 GLU 4 4.464 16.680 -17.596 31 HG3 GLU 4 HG1 GLU 4 3.455 15.449 -18.349 32 H GLN 5 HN GLN 5 4.385 16.405 -14.732 33 HA GLN 5 HA GLN 5 6.668 15.185 -15.830 34 HB2 GLN 5 HB2 GLN 5 6.371 16.486 -13.110 35 HB3 GLN 5 HB1 GLN 5 7.901 16.166 -13.926 36 HG2 GLN 5 HG2 GLN 5 7.438 18.420 -14.468 37 HG3 GLN 5 HG1 GLN 5 6.914 17.528 -15.894 38 HE21 GLN 5 HE21 GLN 5 5.276 17.947 -12.727 39 HE22 GLN 5 HE22 GLN 5 3.866 18.639 -13.372 40 H CYS 6 HN CYS 6 4.923 14.315 -12.844 41 HA CYS 6 HA CYS 6 6.854 12.187 -12.228 42 HB2 CYS 6 HB2 CYS 6 4.203 12.586 -10.879 43 HB3 CYS 6 HB1 CYS 6 5.707 12.010 -10.169 44 H CYS 7 HN CYS 7 3.412 12.282 -13.202 45 HA CYS 7 HA CYS 7 3.307 9.359 -13.323 46 HB2 CYS 7 HB2 CYS 7 1.364 10.800 -12.671 47 HB3 CYS 7 HB1 CYS 7 1.281 11.368 -14.333 48 H THR 8 HN THR 8 2.997 11.942 -15.820 49 HA THR 8 HA THR 8 3.089 10.008 -17.978 50 HB THR 8 HB THR 8 3.817 12.929 -18.253 51 HG1 THR 8 HG1 THR 8 1.200 11.859 -18.253 52 HG21 THR 8 HG21 THR 8 2.676 12.635 -20.424 53 HG22 THR 8 HG22 THR 8 2.380 10.943 -20.024 54 HG23 THR 8 HG23 THR 8 4.031 11.523 -20.240 55 H SER 9 HN SER 9 5.441 11.772 -16.135 56 HA SER 9 HA SER 9 7.640 10.362 -17.589 57 HB2 SER 9 HB2 SER 9 7.566 13.279 -16.786 58 HB3 SER 9 HB1 SER 9 9.018 12.445 -17.306 59 HG SER 9 HG SER 9 6.769 13.237 -18.751 60 H ILE 10 HN ILE 10 9.720 10.596 -16.086 61 HA ILE 10 HA ILE 10 8.808 9.824 -13.379 62 HB ILE 10 HB ILE 10 11.635 9.894 -14.481 63 HG12 ILE 10 HG12 ILE 10 9.448 7.800 -14.532 64 HG13 ILE 10 HG11 ILE 10 10.489 8.333 -15.849 65 HG21 ILE 10 HG21 ILE 10 12.202 8.544 -12.574 66 HG22 ILE 10 HG22 ILE 10 10.508 8.318 -12.147 67 HG23 ILE 10 HG23 ILE 10 11.267 9.894 -11.943 68 HD11 ILE 10 HD11 ILE 10 11.424 6.261 -15.295 69 HD12 ILE 10 HD12 ILE 10 11.114 6.470 -13.573 70 HD13 ILE 10 HD13 ILE 10 12.421 7.366 -14.347 71 H CYS 11 HN CYS 11 8.891 11.159 -11.659 72 HA CYS 11 HA CYS 11 9.953 13.902 -12.043 73 HB2 CYS 11 HB2 CYS 11 7.980 12.587 -10.243 74 HB3 CYS 11 HB1 CYS 11 8.874 13.925 -9.535 75 H SER 12 HN SER 12 10.670 14.702 -9.658 76 HA SER 12 HA SER 12 12.675 12.825 -8.522 77 HB2 SER 12 HB2 SER 12 13.861 15.424 -8.551 78 HB3 SER 12 HB1 SER 12 14.394 14.008 -9.447 79 HG SER 12 HG SER 12 13.754 16.018 -10.639 80 H LEU 13 HN LEU 13 13.155 13.346 -6.342 81 HA LEU 13 HA LEU 13 11.148 14.063 -4.605 82 HB2 LEU 13 HB2 LEU 13 13.232 13.182 -3.797 83 HB3 LEU 13 HB1 LEU 13 14.133 14.545 -4.444 84 HG LEU 13 HG LEU 13 13.204 16.039 -2.816 85 HD11 LEU 13 HD11 LEU 13 11.549 15.023 -1.099 86 HD12 LEU 13 HD12 LEU 13 11.321 13.741 -2.289 87 HD13 LEU 13 HD13 LEU 13 10.921 15.405 -2.701 88 HD21 LEU 13 HD21 LEU 13 13.857 13.379 -1.531 89 HD22 LEU 13 HD22 LEU 13 13.851 14.933 -0.697 90 HD23 LEU 13 HD23 LEU 13 15.014 14.629 -1.988 91 H TYR 14 HN TYR 14 13.737 16.224 -5.560 92 HA TYR 14 HA TYR 14 12.851 18.640 -4.504 93 HB2 TYR 14 HB2 TYR 14 14.006 18.570 -7.276 94 HB3 TYR 14 HB1 TYR 14 14.357 19.683 -5.957 95 HD1 TYR 14 HD1 TYR 14 15.335 18.572 -3.750 96 HD2 TYR 14 HD2 TYR 14 15.466 16.821 -7.643 97 HE1 TYR 14 HE1 TYR 14 17.207 17.111 -3.027 98 HE2 TYR 14 HE2 TYR 14 17.324 15.357 -6.946 99 HH TYR 14 HH TYR 14 19.248 15.686 -4.893 100 H GLN 15 HN GLN 15 11.977 17.196 -7.617 101 HA GLN 15 HA GLN 15 10.151 19.310 -8.356 102 HB2 GLN 15 HB2 GLN 15 10.322 16.404 -9.190 103 HB3 GLN 15 HB1 GLN 15 9.124 17.514 -9.840 104 HG2 GLN 15 HG2 GLN 15 11.052 19.037 -10.476 105 HG3 GLN 15 HG1 GLN 15 12.131 17.705 -10.071 106 HE21 GLN 15 HE21 GLN 15 8.982 17.877 -11.753 107 HE22 GLN 15 HE22 GLN 15 9.502 17.039 -13.127 108 H LEU 16 HN LEU 16 9.919 16.427 -6.340 109 HA LEU 16 HA LEU 16 7.031 16.654 -6.058 110 HB2 LEU 16 HB2 LEU 16 9.130 14.941 -4.937 111 HB3 LEU 16 HB1 LEU 16 7.878 15.312 -3.773 112 HG LEU 16 HG LEU 16 6.182 14.573 -5.468 113 HD11 LEU 16 HD11 LEU 16 7.086 13.124 -7.304 114 HD12 LEU 16 HD12 LEU 16 8.692 13.743 -6.919 115 HD13 LEU 16 HD13 LEU 16 7.437 14.842 -7.494 116 HD21 LEU 16 HD21 LEU 16 6.983 12.079 -5.308 117 HD22 LEU 16 HD22 LEU 16 6.596 12.960 -3.832 118 HD23 LEU 16 HD23 LEU 16 8.278 12.747 -4.317 119 H GLU 17 HN GLU 17 9.846 17.835 -4.379 120 HA GLU 17 HA GLU 17 8.546 18.824 -2.082 121 HB2 GLU 17 HB2 GLU 17 11.013 19.829 -3.493 122 HB3 GLU 17 HB1 GLU 17 10.507 20.266 -1.875 123 HG2 GLU 17 HG2 GLU 17 10.499 17.639 -1.508 124 HG3 GLU 17 HG1 GLU 17 11.599 17.657 -2.861 125 H ASN 18 HN ASN 18 9.167 20.190 -5.203 126 HA ASN 18 HA ASN 18 8.578 22.886 -4.850 127 HB2 ASN 18 HB2 ASN 18 8.354 20.920 -7.051 128 HB3 ASN 18 HB1 ASN 18 7.329 22.325 -7.250 129 HD21 ASN 18 HD21 ASN 18 10.315 21.213 -8.098 130 HD22 ASN 18 HD22 ASN 18 11.162 22.679 -8.199 131 H TYR 19 HN TYR 19 6.371 20.208 -5.105 132 HA TYR 19 HA TYR 19 4.001 21.935 -5.046 133 HB2 TYR 19 HB2 TYR 19 4.158 18.936 -4.886 134 HB3 TYR 19 HB1 TYR 19 2.793 19.906 -5.419 135 HD1 TYR 19 HD1 TYR 19 3.498 21.703 -7.308 136 HD2 TYR 19 HD2 TYR 19 5.446 17.988 -6.578 137 HE1 TYR 19 HE1 TYR 19 4.399 21.749 -9.617 138 HE2 TYR 19 HE2 TYR 19 6.387 18.015 -8.883 139 HH TYR 19 HH TYR 19 6.906 20.047 -10.626 140 H CYS 20 HN CYS 20 5.978 21.012 -2.520 141 HA CYS 20 HA CYS 20 3.862 20.104 -0.725 142 HB2 CYS 20 HB2 CYS 20 6.525 21.275 0.009 143 HB3 CYS 20 HB1 CYS 20 5.472 20.372 1.019 144 H ASN 21 HN ASN 21 2.419 21.921 -1.359 145 HA ASN 21 HA ASN 21 1.374 23.969 -0.910 146 HB2 ASN 21 HB2 ASN 21 1.180 23.063 1.307 147 HB3 ASN 21 HB1 ASN 21 2.857 23.449 1.677 148 HD21 ASN 21 HD21 ASN 21 2.351 24.912 3.432 149 HD22 ASN 21 HD22 ASN 21 1.583 26.403 3.171 150 H1 PHE 22 HT1 PHE 22 16.478 9.638 -4.092 151 H2 PHE 22 HT2 PHE 22 16.444 8.419 -2.909 152 H3 PHE 22 HT3 PHE 22 16.144 10.035 -2.477 153 HA PHE 22 HA PHE 22 14.070 8.882 -2.534 154 HB2 PHE 22 HB2 PHE 22 14.462 11.251 -3.616 155 HB3 PHE 22 HB1 PHE 22 14.129 10.420 -5.132 156 HD1 PHE 22 HD1 PHE 22 12.754 10.742 -1.654 157 HD2 PHE 22 HD2 PHE 22 11.883 10.232 -5.831 158 HE1 PHE 22 HE1 PHE 22 10.332 10.852 -1.164 159 HE2 PHE 22 HE2 PHE 22 9.455 10.344 -5.337 160 HZ PHE 22 HZ PHE 22 8.672 10.654 -2.999 161 H VAL 23 HN VAL 23 13.074 8.945 -5.552 162 HA VAL 23 HA VAL 23 14.207 6.366 -6.465 163 HB VAL 23 HB VAL 23 12.401 5.641 -5.041 164 HG11 VAL 23 HG11 VAL 23 10.734 7.619 -6.611 165 HG12 VAL 23 HG12 VAL 23 11.224 7.780 -4.924 166 HG13 VAL 23 HG13 VAL 23 10.111 6.498 -5.400 167 HG21 VAL 23 HG21 VAL 23 11.240 5.618 -7.835 168 HG22 VAL 23 HG22 VAL 23 11.146 4.363 -6.600 169 HG23 VAL 23 HG23 VAL 23 12.673 4.674 -7.425 170 H ASN 24 HN ASN 24 13.351 5.802 -8.646 171 HA ASN 24 HA ASN 24 12.555 8.223 -10.233 172 HB2 ASN 24 HB2 ASN 24 14.583 6.049 -10.782 173 HB3 ASN 24 HB1 ASN 24 13.859 6.965 -12.100 174 HD21 ASN 24 HD21 ASN 24 13.680 9.529 -10.824 175 HD22 ASN 24 HD22 ASN 24 15.255 10.098 -10.548 176 H GLN 25 HN GLN 25 10.377 7.203 -9.613 177 HA GLN 25 HA GLN 25 9.670 4.985 -11.514 178 HB2 GLN 25 HB2 GLN 25 8.918 5.574 -8.672 179 HB3 GLN 25 HB1 GLN 25 7.682 4.847 -9.685 180 HG2 GLN 25 HG2 GLN 25 9.290 3.028 -10.277 181 HG3 GLN 25 HG1 GLN 25 10.463 3.742 -9.169 182 HE21 GLN 25 HE21 GLN 25 7.406 4.292 -7.881 183 HE22 GLN 25 HE22 GLN 25 7.316 2.956 -6.839 184 H HIS 26 HN HIS 26 7.303 5.047 -12.089 185 HA HIS 26 HA HIS 26 6.555 7.797 -12.917 186 HB2 HIS 26 HB2 HIS 26 5.722 5.004 -13.700 187 HB3 HIS 26 HB1 HIS 26 4.638 6.349 -14.045 188 HD2 HIS 26 HD2 HIS 26 8.272 5.161 -15.090 189 HE1 HIS 26 HE1 HIS 26 6.981 8.142 -17.790 190 HE2 HIS 26 HE2 HIS 26 8.813 6.454 -17.280 191 H LEU 27 HN LEU 27 5.829 8.661 -10.936 192 HA LEU 27 HA LEU 27 3.887 7.183 -9.313 193 HB2 LEU 27 HB2 LEU 27 4.605 10.104 -8.995 194 HB3 LEU 27 HB1 LEU 27 4.024 8.961 -7.797 195 HG LEU 27 HG LEU 27 6.682 8.570 -9.167 196 HD11 LEU 27 HD11 LEU 27 6.699 10.764 -8.049 197 HD12 LEU 27 HD12 LEU 27 7.702 9.609 -7.173 198 HD13 LEU 27 HD13 LEU 27 6.097 10.018 -6.569 199 HD21 LEU 27 HD21 LEU 27 7.102 7.246 -7.088 200 HD22 LEU 27 HD22 LEU 27 5.751 6.613 -8.028 201 HD23 LEU 27 HD23 LEU 27 5.446 7.572 -6.580 202 H CYS 28 HN CYS 28 1.689 7.535 -9.225 203 HA CYS 28 HA CYS 28 0.553 9.823 -10.759 204 HB2 CYS 28 HB2 CYS 28 -0.430 6.972 -11.054 205 HB3 CYS 28 HB1 CYS 28 -1.039 8.395 -11.901 206 H GLY 29 HN GLY 29 -0.850 10.847 -9.524 207 HA2 GLY 29 HA2 GLY 29 -2.130 11.321 -7.603 208 HA3 GLY 29 HA1 GLY 29 -3.082 9.992 -8.240 209 H SER 30 HN SER 30 -3.291 8.215 -6.977 210 HA SER 30 HA SER 30 -2.703 8.036 -4.325 211 HB2 SER 30 HB2 SER 30 -4.023 6.299 -5.230 212 HB3 SER 30 HB1 SER 30 -2.784 5.850 -6.398 213 HG SER 30 HG SER 30 -2.957 5.328 -3.648 214 H ASP 31 HN ASP 31 -0.508 6.595 -6.778 215 HA ASP 31 HA ASP 31 1.529 6.047 -4.817 216 HB2 ASP 31 HB2 ASP 31 2.154 6.403 -7.745 217 HB3 ASP 31 HB1 ASP 31 2.802 5.227 -6.602 218 H LEU 32 HN LEU 32 0.764 8.828 -6.773 219 HA LEU 32 HA LEU 32 3.339 10.151 -6.249 220 HB2 LEU 32 HB2 LEU 32 2.303 10.606 -8.362 221 HB3 LEU 32 HB1 LEU 32 0.760 10.954 -7.599 222 HG LEU 32 HG LEU 32 1.659 13.001 -6.608 223 HD11 LEU 32 HD11 LEU 32 4.096 13.531 -7.740 224 HD12 LEU 32 HD12 LEU 32 4.253 11.812 -7.485 225 HD13 LEU 32 HD13 LEU 32 3.898 12.870 -6.125 226 HD21 LEU 32 HD21 LEU 32 0.900 12.677 -9.158 227 HD22 LEU 32 HD22 LEU 32 2.570 13.111 -9.464 228 HD23 LEU 32 HD23 LEU 32 1.528 14.210 -8.581 229 H VAL 33 HN VAL 33 -0.017 11.004 -5.521 230 HA VAL 33 HA VAL 33 0.286 13.021 -3.696 231 HB VAL 33 HB VAL 33 -1.544 10.611 -3.581 232 HG11 VAL 33 HG11 VAL 33 -2.906 12.312 -2.083 233 HG12 VAL 33 HG12 VAL 33 -1.308 12.974 -1.760 234 HG13 VAL 33 HG13 VAL 33 -1.656 11.299 -1.360 235 HG21 VAL 33 HG21 VAL 33 -1.673 12.252 -5.498 236 HG22 VAL 33 HG22 VAL 33 -2.130 13.479 -4.317 237 HG23 VAL 33 HG23 VAL 33 -3.162 12.072 -4.569 238 H GLU 34 HN GLU 34 0.218 9.567 -2.825 239 HA GLU 34 HA GLU 34 1.032 9.894 -0.136 240 HB2 GLU 34 HB2 GLU 34 1.542 7.561 -0.113 241 HB3 GLU 34 HB1 GLU 34 0.235 7.733 -1.280 242 HG2 GLU 34 HG2 GLU 34 1.940 7.815 -3.093 243 HG3 GLU 34 HG1 GLU 34 3.182 7.479 -1.895 244 H ALA 35 HN ALA 35 2.889 9.767 -3.126 245 HA ALA 35 HA ALA 35 5.508 9.743 -1.946 246 HB1 ALA 35 HB1 ALA 35 4.973 11.301 -4.480 247 HB2 ALA 35 HB2 ALA 35 4.754 9.557 -4.498 248 HB3 ALA 35 HB3 ALA 35 6.320 10.233 -4.088 249 H LEU 36 HN LEU 36 3.148 12.329 -2.619 250 HA LEU 36 HA LEU 36 5.017 14.391 -1.826 251 HB2 LEU 36 HB2 LEU 36 2.041 14.341 -2.191 252 HB3 LEU 36 HB1 LEU 36 2.913 15.790 -1.690 253 HG LEU 36 HG LEU 36 3.683 14.217 -4.169 254 HD11 LEU 36 HD11 LEU 36 2.360 16.506 -5.032 255 HD12 LEU 36 HD12 LEU 36 1.345 15.929 -3.736 256 HD13 LEU 36 HD13 LEU 36 1.742 14.865 -5.076 257 HD21 LEU 36 HD21 LEU 36 5.472 15.683 -3.600 258 HD22 LEU 36 HD22 LEU 36 4.390 16.943 -3.023 259 HD23 LEU 36 HD23 LEU 36 4.541 16.634 -4.748 260 H TYR 37 HN TYR 37 2.092 13.031 -0.272 261 HA TYR 37 HA TYR 37 2.287 14.227 2.246 262 HB2 TYR 37 HB2 TYR 37 0.479 12.657 1.586 263 HB3 TYR 37 HB1 TYR 37 1.627 11.318 1.691 264 HD1 TYR 37 HD2 TYR 37 2.695 10.754 3.868 265 HD2 TYR 37 HD1 TYR 37 -0.448 13.649 3.540 266 HE1 TYR 37 HE2 TYR 37 2.330 10.624 6.318 267 HE2 TYR 37 HE1 TYR 37 -0.816 13.532 5.988 268 HH TYR 37 HH TYR 37 0.835 11.145 7.983 269 H LEU 38 HN LEU 38 4.215 11.705 0.819 270 HA LEU 38 HA LEU 38 5.651 10.978 3.231 271 HB2 LEU 38 HB2 LEU 38 5.354 9.474 1.292 272 HB3 LEU 38 HB1 LEU 38 6.266 10.571 0.281 273 HG LEU 38 HG LEU 38 7.515 9.548 2.821 274 HD11 LEU 38 HD11 LEU 38 7.257 8.000 0.229 275 HD12 LEU 38 HD12 LEU 38 6.711 7.500 1.830 276 HD13 LEU 38 HD13 LEU 38 8.436 7.613 1.482 277 HD21 LEU 38 HD21 LEU 38 9.529 9.544 1.108 278 HD22 LEU 38 HD22 LEU 38 8.958 11.070 1.762 279 HD23 LEU 38 HD23 LEU 38 8.471 10.570 0.147 280 H VAL 39 HN VAL 39 6.319 12.907 0.332 281 HA VAL 39 HA VAL 39 8.891 13.889 1.251 282 HB VAL 39 HB VAL 39 6.998 14.651 -0.978 283 HG11 VAL 39 HG11 VAL 39 9.599 15.946 -0.226 284 HG12 VAL 39 HG12 VAL 39 8.033 16.722 -0.462 285 HG13 VAL 39 HG13 VAL 39 8.896 16.053 -1.838 286 HG21 VAL 39 HG21 VAL 39 9.656 13.256 -0.820 287 HG22 VAL 39 HG22 VAL 39 8.989 13.853 -2.337 288 HG23 VAL 39 HG23 VAL 39 8.141 12.615 -1.425 289 H CYS 40 HN CYS 40 5.812 15.576 0.664 290 HA CYS 40 HA CYS 40 6.562 17.980 2.023 291 HB2 CYS 40 HB2 CYS 40 3.791 16.930 1.487 292 HB3 CYS 40 HB1 CYS 40 4.275 18.609 1.621 293 H GLY 41 HN GLY 41 4.409 15.295 3.039 294 HA2 GLY 41 HA2 GLY 41 3.750 14.646 5.192 295 HA3 GLY 41 HA1 GLY 41 5.147 15.526 5.803 296 H GLU 42 HN GLU 42 4.618 17.162 7.137 297 HA GLU 42 HA GLU 42 1.935 17.997 7.606 298 HB2 GLU 42 HB2 GLU 42 3.792 18.177 9.256 299 HB3 GLU 42 HB1 GLU 42 4.492 19.478 8.286 300 HG2 GLU 42 HG2 GLU 42 3.261 20.627 9.931 301 HG3 GLU 42 HG1 GLU 42 2.178 20.643 8.547 302 H ARG 43 HN ARG 43 4.550 19.602 5.773 303 HA ARG 43 HA ARG 43 3.307 22.033 5.309 304 HB2 ARG 43 HB2 ARG 43 4.681 20.680 2.990 305 HB3 ARG 43 HB1 ARG 43 4.769 22.362 3.515 306 HG2 ARG 43 HG2 ARG 43 5.937 21.551 5.595 307 HG3 ARG 43 HG1 ARG 43 6.032 19.965 4.833 308 HD2 ARG 43 HD2 ARG 43 6.955 22.068 3.003 309 HD3 ARG 43 HD1 ARG 43 7.865 22.047 4.495 310 HE ARG 43 HE ARG 43 7.655 19.366 3.679 311 HH11 ARG 43 HH21 ARG 43 8.847 22.361 2.459 312 HH12 ARG 43 HH22 ARG 43 10.062 21.626 1.467 313 HH21 ARG 43 HH11 ARG 43 9.233 18.388 2.392 314 HH22 ARG 43 HH12 ARG 43 10.281 19.376 1.430 315 H GLY 44 HN GLY 44 2.144 18.959 4.265 316 HA2 GLY 44 HA2 GLY 44 0.177 18.483 3.023 317 HA3 GLY 44 HA1 GLY 44 -0.165 20.220 3.010 318 H PHE 45 HN PHE 45 -0.703 19.446 0.570 319 HA PHE 45 HA PHE 45 1.530 20.437 -1.004 320 HB2 PHE 45 HB2 PHE 45 1.769 18.267 -2.314 321 HB3 PHE 45 HB1 PHE 45 2.447 18.286 -0.698 322 HD1 PHE 45 HD1 PHE 45 -0.394 17.121 -2.734 323 HD2 PHE 45 HD2 PHE 45 1.548 16.966 1.070 324 HE1 PHE 45 HE1 PHE 45 -1.816 15.184 -2.090 325 HE2 PHE 45 HE2 PHE 45 0.147 15.035 1.729 326 HZ PHE 45 HZ PHE 45 -1.532 14.144 0.153 327 H 23F 46 HN 23F 46 0.997 20.254 -3.575 328 HB 23F 46 HB 23F 46 -1.921 21.710 -5.695 329 HD1 23F 46 HD1 23F 46 1.153 22.131 -3.211 330 HD2 23F 46 HD2 23F 46 -1.539 24.037 -6.161 331 HE1 23F 46 HE1 23F 46 2.455 24.262 -3.057 332 HE2 23F 46 HE2 23F 46 -0.236 26.093 -5.971 333 HZ 23F 46 HZ 23F 46 1.769 26.265 -4.434 334 H TYR 47 HN TYR 47 -3.343 19.533 -3.494 335 HA TYR 47 HA TYR 47 -4.008 17.874 -5.755 336 HB2 TYR 47 HB2 TYR 47 -2.257 16.594 -3.894 337 HB3 TYR 47 HB1 TYR 47 -3.838 15.905 -3.597 338 HD1 TYR 47 HD2 TYR 47 -5.186 15.140 -5.693 339 HD2 TYR 47 HD1 TYR 47 -0.931 15.800 -5.696 340 HE1 TYR 47 HE2 TYR 47 -4.964 13.721 -7.714 341 HE2 TYR 47 HE1 TYR 47 -0.721 14.379 -7.715 342 HH TYR 47 HH TYR 47 -3.491 12.620 -9.032 343 H THR 48 HN THR 48 -6.014 18.801 -5.634 344 HA THR 48 HA THR 48 -7.508 19.190 -3.225 345 HB THR 48 HB THR 48 -8.679 18.787 -5.987 346 HG1 THR 48 HG1 THR 48 -8.332 21.063 -6.172 347 HG21 THR 48 HG21 THR 48 -10.169 18.990 -3.936 348 HG22 THR 48 HG22 THR 48 -10.447 20.192 -5.196 349 HG23 THR 48 HG23 THR 48 -9.540 20.627 -3.747 350 H LYS 49 HN LYS 49 -7.990 17.471 -1.935 351 HA LYS 49 HA LYS 49 -8.336 14.782 -2.824 352 HB2 LYS 49 HB2 LYS 49 -9.583 15.951 -0.345 353 HB3 LYS 49 HB1 LYS 49 -9.022 14.298 -0.602 354 HG2 LYS 49 HG2 LYS 49 -6.693 15.160 -0.845 355 HG3 LYS 49 HG1 LYS 49 -7.281 16.776 -0.455 356 HD2 LYS 49 HD2 LYS 49 -7.881 16.151 1.753 357 HD3 LYS 49 HD1 LYS 49 -7.777 14.429 1.382 358 HE2 LYS 49 HE2 LYS 49 -5.803 15.600 2.675 359 HE3 LYS 49 HE1 LYS 49 -5.440 14.426 1.410 360 HZ1 LYS 49 HZ1 LYS 49 -5.225 17.355 1.345 361 HZ2 LYS 49 HZ2 LYS 49 -5.524 16.516 -0.102 362 HZ3 LYS 49 HZ3 LYS 49 -4.126 16.183 0.803 363 HA PRO 50 HA PRO 50 -12.412 15.607 -4.606 364 HB2 PRO 50 HB2 PRO 50 -12.779 12.677 -4.604 365 HB3 PRO 50 HB1 PRO 50 -12.831 13.801 -5.969 366 HG2 PRO 50 HG2 PRO 50 -10.731 12.037 -5.444 367 HG3 PRO 50 HG1 PRO 50 -10.607 13.496 -6.441 368 HD2 PRO 50 HD2 PRO 50 -9.516 13.017 -3.742 369 HD3 PRO 50 HD1 PRO 50 -9.113 14.290 -4.910 370 H THR 51 HN THR 51 -12.135 12.861 -2.340 371 HA THR 51 HA THR 51 -13.875 14.175 -0.403 372 HB THR 51 HB THR 51 -15.580 13.363 -1.963 373 HG1 THR 51 HG1 THR 51 -16.757 12.432 -0.434 374 HG21 THR 51 HG21 THR 51 -15.764 10.984 -2.502 375 HG22 THR 51 HG22 THR 51 -14.338 10.634 -1.525 376 HG23 THR 51 HG23 THR 51 -14.184 11.589 -3.000 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -1.897 18.550 -10.981 2 H2 GLY 1 HT2 GLY 1 -2.197 20.211 -11.176 3 H3 GLY 1 HT3 GLY 1 -1.241 19.665 -9.882 4 HA2 GLY 1 HA2 GLY 1 -0.605 19.883 -12.833 5 HA3 GLY 1 HA1 GLY 1 0.366 20.290 -11.392 6 H ILE 2 HN ILE 2 0.484 18.524 -9.599 7 HA ILE 2 HA ILE 2 3.156 17.816 -10.311 8 HB ILE 2 HB ILE 2 2.481 17.942 -7.985 9 HG12 ILE 2 HG12 ILE 2 3.133 15.060 -8.726 10 HG13 ILE 2 HG11 ILE 2 4.298 16.358 -8.526 11 HG21 ILE 2 HG21 ILE 2 0.185 17.351 -8.035 12 HG22 ILE 2 HG22 ILE 2 0.944 16.088 -7.079 13 HG23 ILE 2 HG23 ILE 2 0.514 15.783 -8.756 14 HD11 ILE 2 HD11 ILE 2 4.398 15.397 -6.438 15 HD12 ILE 2 HD12 ILE 2 2.706 14.908 -6.480 16 HD13 ILE 2 HD13 ILE 2 3.127 16.587 -6.177 17 H VAL 3 HN VAL 3 0.089 16.179 -10.808 18 HA VAL 3 HA VAL 3 1.042 13.563 -11.310 19 HB VAL 3 HB VAL 3 -1.301 15.038 -12.542 20 HG11 VAL 3 HG11 VAL 3 -0.654 12.085 -12.353 21 HG12 VAL 3 HG12 VAL 3 -0.784 13.035 -13.833 22 HG13 VAL 3 HG13 VAL 3 -2.215 12.734 -12.849 23 HG21 VAL 3 HG21 VAL 3 -1.325 14.966 -10.078 24 HG22 VAL 3 HG22 VAL 3 -1.060 13.223 -10.120 25 HG23 VAL 3 HG23 VAL 3 -2.566 13.902 -10.738 26 H GLU 4 HN GLU 4 0.500 16.205 -13.683 27 HA GLU 4 HA GLU 4 1.267 14.839 -16.005 28 HB2 GLU 4 HB2 GLU 4 0.441 17.091 -16.160 29 HB3 GLU 4 HB1 GLU 4 1.780 17.709 -15.195 30 HG2 GLU 4 HG2 GLU 4 3.327 17.479 -16.932 31 HG3 GLU 4 HG1 GLU 4 2.382 16.240 -17.754 32 H GLN 5 HN GLN 5 3.518 16.906 -14.129 33 HA GLN 5 HA GLN 5 5.806 16.042 -15.527 34 HB2 GLN 5 HB2 GLN 5 5.573 17.104 -12.701 35 HB3 GLN 5 HB1 GLN 5 7.093 16.928 -13.573 36 HG2 GLN 5 HG2 GLN 5 6.486 19.182 -13.947 37 HG3 GLN 5 HG1 GLN 5 5.978 18.361 -15.419 38 HE21 GLN 5 HE21 GLN 5 4.531 18.838 -12.151 39 HE22 GLN 5 HE22 GLN 5 3.015 19.334 -12.733 40 H CYS 6 HN CYS 6 4.401 14.710 -12.535 41 HA CYS 6 HA CYS 6 6.591 12.768 -12.269 42 HB2 CYS 6 HB2 CYS 6 4.027 12.721 -10.710 43 HB3 CYS 6 HB1 CYS 6 5.639 12.266 -10.167 44 H CYS 7 HN CYS 7 3.090 12.555 -12.983 45 HA CYS 7 HA CYS 7 3.300 9.667 -13.403 46 HB2 CYS 7 HB2 CYS 7 1.275 10.796 -12.464 47 HB3 CYS 7 HB1 CYS 7 0.988 11.513 -14.043 48 H THR 8 HN THR 8 2.502 12.425 -15.586 49 HA THR 8 HA THR 8 2.617 10.736 -17.938 50 HB THR 8 HB THR 8 3.025 13.732 -17.961 51 HG1 THR 8 HG1 THR 8 0.776 12.215 -17.287 52 HG21 THR 8 HG21 THR 8 3.195 12.542 -20.092 53 HG22 THR 8 HG22 THR 8 1.734 13.530 -20.054 54 HG23 THR 8 HG23 THR 8 1.627 11.787 -19.808 55 H SER 9 HN SER 9 4.920 12.584 -16.105 56 HA SER 9 HA SER 9 7.127 11.555 -17.840 57 HB2 SER 9 HB2 SER 9 6.822 14.366 -16.759 58 HB3 SER 9 HB1 SER 9 8.304 13.744 -17.459 59 HG SER 9 HG SER 9 5.789 14.176 -18.677 60 H ILE 10 HN ILE 10 9.289 11.893 -16.472 61 HA ILE 10 HA ILE 10 8.686 10.773 -13.802 62 HB ILE 10 HB ILE 10 11.389 11.292 -15.086 63 HG12 ILE 10 HG12 ILE 10 9.470 8.951 -15.170 64 HG13 ILE 10 HG11 ILE 10 10.324 9.719 -16.505 65 HG21 ILE 10 HG21 ILE 10 12.275 9.872 -13.361 66 HG22 ILE 10 HG22 ILE 10 10.663 9.390 -12.837 67 HG23 ILE 10 HG23 ILE 10 11.235 11.027 -12.535 68 HD11 ILE 10 HD11 ILE 10 11.534 7.733 -16.209 69 HD12 ILE 10 HD12 ILE 10 11.368 7.781 -14.456 70 HD13 ILE 10 HD13 ILE 10 12.479 8.885 -15.265 71 H CYS 11 HN CYS 11 8.780 11.937 -11.951 72 HA CYS 11 HA CYS 11 9.464 14.819 -12.141 73 HB2 CYS 11 HB2 CYS 11 7.819 13.113 -10.343 74 HB3 CYS 11 HB1 CYS 11 8.616 14.471 -9.563 75 H SER 12 HN SER 12 10.285 15.485 -9.753 76 HA SER 12 HA SER 12 12.593 13.788 -8.965 77 HB2 SER 12 HB2 SER 12 13.443 16.518 -8.841 78 HB3 SER 12 HB1 SER 12 14.074 15.256 -9.891 79 HG SER 12 HG SER 12 12.730 17.386 -10.587 80 H LEU 13 HN LEU 13 13.206 14.186 -6.791 81 HA LEU 13 HA LEU 13 11.285 14.490 -4.843 82 HB2 LEU 13 HB2 LEU 13 13.518 13.808 -4.281 83 HB3 LEU 13 HB1 LEU 13 14.198 15.318 -4.870 84 HG LEU 13 HG LEU 13 13.256 16.553 -3.045 85 HD11 LEU 13 HD11 LEU 13 11.693 14.015 -2.585 86 HD12 LEU 13 HD12 LEU 13 11.076 15.647 -2.812 87 HD13 LEU 13 HD13 LEU 13 11.880 15.213 -1.306 88 HD21 LEU 13 HD21 LEU 13 14.329 15.517 -1.161 89 HD22 LEU 13 HD22 LEU 13 15.274 15.116 -2.595 90 HD23 LEU 13 HD23 LEU 13 14.185 13.919 -1.893 91 H TYR 14 HN TYR 14 13.513 17.029 -5.783 92 HA TYR 14 HA TYR 14 12.448 19.224 -4.446 93 HB2 TYR 14 HB2 TYR 14 13.362 19.522 -7.292 94 HB3 TYR 14 HB1 TYR 14 13.694 20.558 -5.907 95 HD1 TYR 14 HD1 TYR 14 14.979 19.405 -3.891 96 HD2 TYR 14 HD2 TYR 14 14.974 17.994 -7.923 97 HE1 TYR 14 HE1 TYR 14 17.060 18.128 -3.443 98 HE2 TYR 14 HE2 TYR 14 17.039 16.713 -7.499 99 HH TYR 14 HH TYR 14 18.982 16.842 -5.885 100 H GLN 15 HN GLN 15 11.483 17.946 -7.603 101 HA GLN 15 HA GLN 15 9.367 19.873 -8.003 102 HB2 GLN 15 HB2 GLN 15 9.811 17.093 -9.116 103 HB3 GLN 15 HB1 GLN 15 8.439 18.094 -9.571 104 HG2 GLN 15 HG2 GLN 15 10.110 19.896 -10.200 105 HG3 GLN 15 HG1 GLN 15 11.372 18.683 -9.999 106 HE21 GLN 15 HE21 GLN 15 8.098 18.599 -11.431 107 HE22 GLN 15 HE22 GLN 15 8.599 17.948 -12.909 108 H LEU 16 HN LEU 16 9.645 16.824 -6.257 109 HA LEU 16 HA LEU 16 6.784 16.662 -5.745 110 HB2 LEU 16 HB2 LEU 16 9.160 15.135 -4.957 111 HB3 LEU 16 HB1 LEU 16 7.981 15.243 -3.669 112 HG LEU 16 HG LEU 16 6.240 14.449 -5.298 113 HD11 LEU 16 HD11 LEU 16 8.697 14.044 -7.001 114 HD12 LEU 16 HD12 LEU 16 7.296 15.050 -7.373 115 HD13 LEU 16 HD13 LEU 16 7.135 13.294 -7.328 116 HD21 LEU 16 HD21 LEU 16 8.622 12.807 -4.473 117 HD22 LEU 16 HD22 LEU 16 7.345 12.068 -5.436 118 HD23 LEU 16 HD23 LEU 16 6.968 12.763 -3.860 119 H GLU 17 HN GLU 17 9.571 18.040 -4.178 120 HA GLU 17 HA GLU 17 8.372 18.651 -1.701 121 HB2 GLU 17 HB2 GLU 17 10.564 20.079 -3.198 122 HB3 GLU 17 HB1 GLU 17 10.154 20.314 -1.513 123 HG2 GLU 17 HG2 GLU 17 10.495 17.682 -1.396 124 HG3 GLU 17 HG1 GLU 17 11.469 17.960 -2.816 125 H ASN 18 HN ASN 18 8.549 20.353 -4.712 126 HA ASN 18 HA ASN 18 7.674 22.910 -4.055 127 HB2 ASN 18 HB2 ASN 18 7.499 21.131 -6.414 128 HB3 ASN 18 HB1 ASN 18 6.304 22.410 -6.401 129 HD21 ASN 18 HD21 ASN 18 9.290 21.769 -7.605 130 HD22 ASN 18 HD22 ASN 18 9.962 23.327 -7.607 131 H TYR 19 HN TYR 19 5.783 20.010 -4.411 132 HA TYR 19 HA TYR 19 3.239 21.415 -4.012 133 HB2 TYR 19 HB2 TYR 19 3.764 18.455 -4.153 134 HB3 TYR 19 HB1 TYR 19 2.254 19.287 -4.490 135 HD1 TYR 19 HD1 TYR 19 2.585 21.321 -6.242 136 HD2 TYR 19 HD2 TYR 19 5.007 17.823 -6.020 137 HE1 TYR 19 HE1 TYR 19 3.279 21.681 -8.594 138 HE2 TYR 19 HE2 TYR 19 5.743 18.171 -8.374 139 HH TYR 19 HH TYR 19 5.004 19.282 -10.371 140 H CYS 20 HN CYS 20 5.526 20.510 -1.749 141 HA CYS 20 HA CYS 20 3.696 19.212 0.113 142 HB2 CYS 20 HB2 CYS 20 6.256 20.644 0.741 143 HB3 CYS 20 HB1 CYS 20 5.412 19.535 1.743 144 H ASN 21 HN ASN 21 1.993 20.860 -0.221 145 HA ASN 21 HA ASN 21 0.746 22.708 0.494 146 HB2 ASN 21 HB2 ASN 21 0.896 21.625 2.639 147 HB3 ASN 21 HB1 ASN 21 2.538 22.207 2.884 148 HD21 ASN 21 HD21 ASN 21 -0.665 23.682 2.067 149 HD22 ASN 21 HD22 ASN 21 -0.503 24.977 3.152 150 H1 PHE 22 HT1 PHE 22 16.912 10.574 -3.415 151 H2 PHE 22 HT2 PHE 22 16.996 11.049 -5.044 152 H3 PHE 22 HT3 PHE 22 17.356 9.448 -4.603 153 HA PHE 22 HA PHE 22 14.946 9.478 -3.659 154 HB2 PHE 22 HB2 PHE 22 14.951 12.007 -4.432 155 HB3 PHE 22 HB1 PHE 22 14.567 11.330 -6.009 156 HD1 PHE 22 HD1 PHE 22 13.504 11.215 -2.421 157 HD2 PHE 22 HD2 PHE 22 12.325 10.765 -6.528 158 HE1 PHE 22 HE1 PHE 22 11.143 10.975 -1.718 159 HE2 PHE 22 HE2 PHE 22 9.959 10.529 -5.822 160 HZ PHE 22 HZ PHE 22 9.363 10.634 -3.415 161 H VAL 23 HN VAL 23 13.315 9.296 -6.046 162 HA VAL 23 HA VAL 23 14.795 7.179 -7.574 163 HB VAL 23 HB VAL 23 13.117 6.166 -6.147 164 HG11 VAL 23 HG11 VAL 23 11.761 8.214 -5.846 165 HG12 VAL 23 HG12 VAL 23 10.768 6.831 -6.305 166 HG13 VAL 23 HG13 VAL 23 11.182 8.057 -7.504 167 HG21 VAL 23 HG21 VAL 23 11.867 6.294 -8.898 168 HG22 VAL 23 HG22 VAL 23 11.951 4.922 -7.795 169 HG23 VAL 23 HG23 VAL 23 13.404 5.471 -8.629 170 H ASN 24 HN ASN 24 13.891 6.803 -9.754 171 HA ASN 24 HA ASN 24 12.766 9.288 -11.007 172 HB2 ASN 24 HB2 ASN 24 14.987 7.441 -11.902 173 HB3 ASN 24 HB1 ASN 24 14.100 8.430 -13.059 174 HD21 ASN 24 HD21 ASN 24 13.718 10.770 -11.429 175 HD22 ASN 24 HD22 ASN 24 15.236 11.476 -11.152 176 H GLN 25 HN GLN 25 10.758 7.970 -10.429 177 HA GLN 25 HA GLN 25 10.190 5.916 -12.547 178 HB2 GLN 25 HB2 GLN 25 9.594 6.059 -9.617 179 HB3 GLN 25 HB1 GLN 25 8.349 5.346 -10.629 180 HG2 GLN 25 HG2 GLN 25 10.097 3.800 -11.577 181 HG3 GLN 25 HG1 GLN 25 11.244 4.461 -10.410 182 HE21 GLN 25 HE21 GLN 25 8.248 4.540 -8.925 183 HE22 GLN 25 HE22 GLN 25 8.313 3.054 -8.106 184 H HIS 26 HN HIS 26 7.784 5.753 -12.959 185 HA HIS 26 HA HIS 26 6.688 8.467 -13.428 186 HB2 HIS 26 HB2 HIS 26 6.071 5.683 -14.422 187 HB3 HIS 26 HB1 HIS 26 4.838 6.934 -14.550 188 HD2 HIS 26 HD2 HIS 26 8.465 6.224 -15.981 189 HE1 HIS 26 HE1 HIS 26 6.686 9.312 -18.247 190 HE2 HIS 26 HE2 HIS 26 8.700 7.772 -18.057 191 H LEU 27 HN LEU 27 6.079 9.038 -11.298 192 HA LEU 27 HA LEU 27 4.446 7.211 -9.699 193 HB2 LEU 27 HB2 LEU 27 4.882 10.151 -9.138 194 HB3 LEU 27 HB1 LEU 27 4.525 8.845 -8.022 195 HG LEU 27 HG LEU 27 7.081 8.869 -9.623 196 HD11 LEU 27 HD11 LEU 27 7.151 10.914 -8.372 197 HD12 LEU 27 HD12 LEU 27 8.104 9.738 -7.466 198 HD13 LEU 27 HD13 LEU 27 6.467 10.136 -6.945 199 HD21 LEU 27 HD21 LEU 27 7.811 7.421 -7.720 200 HD22 LEU 27 HD22 LEU 27 6.456 6.730 -8.611 201 HD23 LEU 27 HD23 LEU 27 6.180 7.518 -7.058 202 H CYS 28 HN CYS 28 2.240 7.286 -9.420 203 HA CYS 28 HA CYS 28 0.735 9.568 -10.609 204 HB2 CYS 28 HB2 CYS 28 0.033 6.666 -11.124 205 HB3 CYS 28 HB1 CYS 28 -0.786 8.087 -11.774 206 H GLY 29 HN GLY 29 -0.655 10.299 -9.171 207 HA2 GLY 29 HA2 GLY 29 -1.807 10.437 -7.121 208 HA3 GLY 29 HA1 GLY 29 -2.653 9.063 -7.809 209 H SER 30 HN SER 30 -2.542 7.169 -6.716 210 HA SER 30 HA SER 30 -1.706 6.831 -4.151 211 HB2 SER 30 HB2 SER 30 -1.608 4.791 -6.377 212 HB3 SER 30 HB1 SER 30 -1.380 4.376 -4.681 213 HG SER 30 HG SER 30 -3.633 4.511 -5.876 214 H ASP 31 HN ASP 31 0.425 5.832 -6.870 215 HA ASP 31 HA ASP 31 2.666 5.387 -5.126 216 HB2 ASP 31 HB2 ASP 31 2.959 6.059 -8.054 217 HB3 ASP 31 HB1 ASP 31 3.892 4.928 -7.078 218 H LEU 32 HN LEU 32 1.429 8.217 -6.737 219 HA LEU 32 HA LEU 32 3.876 9.787 -6.292 220 HB2 LEU 32 HB2 LEU 32 2.608 10.299 -8.260 221 HB3 LEU 32 HB1 LEU 32 1.110 10.385 -7.346 222 HG LEU 32 HG LEU 32 1.857 12.430 -6.231 223 HD11 LEU 32 HD11 LEU 32 4.100 13.356 -7.502 224 HD12 LEU 32 HD12 LEU 32 4.478 11.653 -7.429 225 HD13 LEU 32 HD13 LEU 32 4.131 12.538 -5.948 226 HD21 LEU 32 HD21 LEU 32 1.396 13.784 -8.055 227 HD22 LEU 32 HD22 LEU 32 0.907 12.243 -8.733 228 HD23 LEU 32 HD23 LEU 32 2.479 12.914 -9.125 229 H VAL 33 HN VAL 33 0.527 10.160 -5.216 230 HA VAL 33 HA VAL 33 0.771 12.031 -3.232 231 HB VAL 33 HB VAL 33 -0.776 9.429 -3.241 232 HG11 VAL 33 HG11 VAL 33 -0.792 9.831 -0.955 233 HG12 VAL 33 HG12 VAL 33 -2.161 10.828 -1.446 234 HG13 VAL 33 HG13 VAL 33 -0.590 11.565 -1.155 235 HG21 VAL 33 HG21 VAL 33 -1.720 12.279 -3.577 236 HG22 VAL 33 HG22 VAL 33 -2.620 10.800 -3.917 237 HG23 VAL 33 HG23 VAL 33 -1.247 11.251 -4.930 238 H GLU 34 HN GLU 34 1.162 8.529 -2.704 239 HA GLU 34 HA GLU 34 2.172 8.710 -0.066 240 HB2 GLU 34 HB2 GLU 34 2.945 6.463 -0.314 241 HB3 GLU 34 HB1 GLU 34 1.521 6.578 -1.343 242 HG2 GLU 34 HG2 GLU 34 3.024 7.022 -3.278 243 HG3 GLU 34 HG1 GLU 34 4.406 6.734 -2.228 244 H ALA 35 HN ALA 35 3.749 9.094 -3.189 245 HA ALA 35 HA ALA 35 6.455 9.272 -2.227 246 HB1 ALA 35 HB1 ALA 35 5.498 9.220 -4.718 247 HB2 ALA 35 HB2 ALA 35 7.007 10.044 -4.371 248 HB3 ALA 35 HB3 ALA 35 5.519 10.971 -4.546 249 H LEU 36 HN LEU 36 3.764 11.597 -2.450 250 HA LEU 36 HA LEU 36 5.444 13.800 -1.618 251 HB2 LEU 36 HB2 LEU 36 2.475 13.407 -1.735 252 HB3 LEU 36 HB1 LEU 36 3.213 14.905 -1.169 253 HG LEU 36 HG LEU 36 3.934 13.665 -3.845 254 HD11 LEU 36 HD11 LEU 36 1.451 15.002 -3.064 255 HD12 LEU 36 HD12 LEU 36 1.856 14.132 -4.532 256 HD13 LEU 36 HD13 LEU 36 2.266 15.830 -4.370 257 HD21 LEU 36 HD21 LEU 36 5.574 15.298 -3.282 258 HD22 LEU 36 HD22 LEU 36 4.403 16.351 -2.501 259 HD23 LEU 36 HD23 LEU 36 4.431 16.214 -4.253 260 H TYR 37 HN TYR 37 2.841 11.995 0.053 261 HA TYR 37 HA TYR 37 3.143 12.978 2.645 262 HB2 TYR 37 HB2 TYR 37 1.475 11.257 1.990 263 HB3 TYR 37 HB1 TYR 37 2.775 10.066 1.877 264 HD1 TYR 37 HD2 TYR 37 4.099 9.462 3.902 265 HD2 TYR 37 HD1 TYR 37 0.615 11.951 4.098 266 HE1 TYR 37 HE2 TYR 37 3.974 9.083 6.350 267 HE2 TYR 37 HE1 TYR 37 0.486 11.585 6.544 268 HH TYR 37 HH TYR 37 2.121 9.154 8.128 269 H LEU 38 HN LEU 38 5.203 10.822 0.845 270 HA LEU 38 HA LEU 38 6.930 10.083 3.050 271 HB2 LEU 38 HB2 LEU 38 6.646 8.720 1.015 272 HB3 LEU 38 HB1 LEU 38 7.300 10.010 0.032 273 HG LEU 38 HG LEU 38 8.923 8.956 2.336 274 HD11 LEU 38 HD11 LEU 38 8.525 7.603 -0.338 275 HD12 LEU 38 HD12 LEU 38 8.361 6.898 1.270 276 HD13 LEU 38 HD13 LEU 38 9.957 7.328 0.654 277 HD21 LEU 38 HD21 LEU 38 10.063 10.736 1.330 278 HD22 LEU 38 HD22 LEU 38 9.456 10.360 -0.278 279 HD23 LEU 38 HD23 LEU 38 10.728 9.377 0.434 280 H VAL 39 HN VAL 39 7.082 12.332 0.320 281 HA VAL 39 HA VAL 39 9.599 13.546 1.115 282 HB VAL 39 HB VAL 39 7.433 14.239 -0.877 283 HG11 VAL 39 HG11 VAL 39 9.067 15.938 -1.753 284 HG12 VAL 39 HG12 VAL 39 9.914 15.793 -0.213 285 HG13 VAL 39 HG13 VAL 39 8.252 16.377 -0.259 286 HG21 VAL 39 HG21 VAL 39 8.771 12.409 -1.593 287 HG22 VAL 39 HG22 VAL 39 10.243 13.190 -1.059 288 HG23 VAL 39 HG23 VAL 39 9.372 13.815 -2.458 289 H CYS 40 HN CYS 40 6.305 14.875 0.924 290 HA CYS 40 HA CYS 40 6.875 17.235 2.434 291 HB2 CYS 40 HB2 CYS 40 4.218 15.876 2.035 292 HB3 CYS 40 HB1 CYS 40 4.500 17.587 2.281 293 H GLY 41 HN GLY 41 5.179 14.218 3.377 294 HA2 GLY 41 HA2 GLY 41 4.801 13.324 5.509 295 HA3 GLY 41 HA1 GLY 41 6.147 14.310 6.072 296 H GLU 42 HN GLU 42 5.581 15.763 7.590 297 HA GLU 42 HA GLU 42 2.889 16.235 8.390 298 HB2 GLU 42 HB2 GLU 42 4.886 16.513 9.854 299 HB3 GLU 42 HB1 GLU 42 5.327 17.948 8.934 300 HG2 GLU 42 HG2 GLU 42 4.168 18.834 10.781 301 HG3 GLU 42 HG1 GLU 42 2.935 18.810 9.529 302 H ARG 43 HN ARG 43 5.093 18.284 6.462 303 HA ARG 43 HA ARG 43 3.534 20.573 6.335 304 HB2 ARG 43 HB2 ARG 43 4.816 19.583 3.794 305 HB3 ARG 43 HB1 ARG 43 4.757 21.218 4.451 306 HG2 ARG 43 HG2 ARG 43 6.221 20.415 6.334 307 HG3 ARG 43 HG1 ARG 43 6.420 18.908 5.441 308 HD2 ARG 43 HD2 ARG 43 6.899 21.241 3.717 309 HD3 ARG 43 HD1 ARG 43 7.963 21.206 5.102 310 HE ARG 43 HE ARG 43 7.967 18.594 4.078 311 HH11 ARG 43 HH21 ARG 43 8.650 21.793 2.990 312 HH12 ARG 43 HH22 ARG 43 9.815 21.285 1.814 313 HH21 ARG 43 HH11 ARG 43 9.483 17.914 2.550 314 HH22 ARG 43 HH12 ARG 43 10.287 19.089 1.565 315 H GLY 44 HN GLY 44 2.661 17.468 5.104 316 HA2 GLY 44 HA2 GLY 44 0.654 16.841 4.004 317 HA3 GLY 44 HA1 GLY 44 0.097 18.511 4.192 318 H PHE 45 HN PHE 45 -0.574 17.824 1.750 319 HA PHE 45 HA PHE 45 1.320 19.263 0.067 320 HB2 PHE 45 HB2 PHE 45 1.697 17.264 -1.457 321 HB3 PHE 45 HB1 PHE 45 2.527 17.232 0.086 322 HD1 PHE 45 HD1 PHE 45 -0.315 15.864 -1.808 323 HD2 PHE 45 HD2 PHE 45 1.961 15.672 1.801 324 HE1 PHE 45 HE1 PHE 45 -1.414 13.707 -1.232 325 HE2 PHE 45 HE2 PHE 45 0.884 13.522 2.387 326 HZ PHE 45 HZ PHE 45 -0.799 12.540 0.874 327 H 23F 46 HN 23F 46 0.521 19.185 -2.457 328 HB 23F 46 HB 23F 46 -2.798 20.387 -4.099 329 HD1 23F 46 HD1 23F 46 0.490 21.036 -1.958 330 HD2 23F 46 HD2 23F 46 -2.793 22.774 -4.365 331 HE1 23F 46 HE1 23F 46 1.501 23.313 -1.734 332 HE2 23F 46 HE2 23F 46 -1.765 24.975 -4.113 333 HZ 23F 46 HZ 23F 46 0.379 25.306 -2.809 334 H TYR 47 HN TYR 47 -3.616 17.853 -1.939 335 HA TYR 47 HA TYR 47 -4.442 16.335 -4.210 336 HB2 TYR 47 HB2 TYR 47 -2.174 15.157 -2.865 337 HB3 TYR 47 HB1 TYR 47 -3.555 14.147 -2.518 338 HD1 TYR 47 HD2 TYR 47 -5.139 13.726 -4.641 339 HD2 TYR 47 HD1 TYR 47 -0.949 14.698 -4.828 340 HE1 TYR 47 HE2 TYR 47 -4.999 12.704 -6.895 341 HE2 TYR 47 HE1 TYR 47 -0.819 13.663 -7.073 342 HH TYR 47 HH TYR 47 -3.597 12.818 -8.882 343 H THR 48 HN THR 48 -6.375 17.248 -3.313 344 HA THR 48 HA THR 48 -7.595 15.524 -1.227 345 HB THR 48 HB THR 48 -8.320 17.361 0.138 346 HG1 THR 48 HG1 THR 48 -7.232 19.489 -0.774 347 HG21 THR 48 HG21 THR 48 -6.227 18.267 0.940 348 HG22 THR 48 HG22 THR 48 -5.445 17.952 -0.609 349 HG23 THR 48 HG23 THR 48 -5.937 16.607 0.421 350 H LYS 49 HN LYS 49 -9.800 17.588 -1.074 351 HA LYS 49 HA LYS 49 -11.832 17.969 -2.141 352 HB2 LYS 49 HB2 LYS 49 -10.554 17.797 -4.848 353 HB3 LYS 49 HB1 LYS 49 -11.692 18.989 -4.227 354 HG2 LYS 49 HG2 LYS 49 -9.686 19.630 -2.619 355 HG3 LYS 49 HG1 LYS 49 -8.714 18.873 -3.880 356 HD2 LYS 49 HD2 LYS 49 -10.700 21.122 -4.313 357 HD3 LYS 49 HD1 LYS 49 -8.945 21.298 -4.274 358 HE2 LYS 49 HE2 LYS 49 -8.870 19.573 -6.160 359 HE3 LYS 49 HE1 LYS 49 -10.614 19.799 -6.301 360 HZ1 LYS 49 HZ1 LYS 49 -10.325 21.725 -7.337 361 HZ2 LYS 49 HZ2 LYS 49 -8.678 21.332 -7.474 362 HZ3 LYS 49 HZ3 LYS 49 -9.222 22.285 -6.177 363 HA PRO 50 HA PRO 50 -13.504 14.062 -3.240 364 HB2 PRO 50 HB2 PRO 50 -14.978 15.159 -5.557 365 HB3 PRO 50 HB1 PRO 50 -15.613 14.367 -4.106 366 HG2 PRO 50 HG2 PRO 50 -15.761 17.105 -4.598 367 HG3 PRO 50 HG1 PRO 50 -15.858 16.361 -2.993 368 HD2 PRO 50 HD2 PRO 50 -13.656 17.930 -4.158 369 HD3 PRO 50 HD1 PRO 50 -13.952 17.500 -2.468 370 H THR 51 HN THR 51 -12.979 15.832 -6.301 371 HA THR 51 HA THR 51 -12.133 13.531 -7.776 372 HB THR 51 HB THR 51 -11.194 15.213 -9.384 373 HG1 THR 51 HG1 THR 51 -11.127 16.676 -7.203 374 HG21 THR 51 HG21 THR 51 -13.623 14.556 -9.326 375 HG22 THR 51 HG22 THR 51 -13.331 16.168 -9.979 376 HG23 THR 51 HG23 THR 51 -13.927 15.979 -8.330 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 0.181 21.272 -13.717 2 H2 GLY 1 HT2 GLY 1 -0.841 19.943 -13.989 3 H3 GLY 1 HT3 GLY 1 0.828 19.804 -14.272 4 HA2 GLY 1 HA2 GLY 1 0.164 20.723 -11.539 5 HA3 GLY 1 HA1 GLY 1 -0.290 19.056 -11.991 6 H ILE 2 HN ILE 2 1.152 19.049 -9.950 7 HA ILE 2 HA ILE 2 3.648 17.948 -10.529 8 HB ILE 2 HB ILE 2 2.884 18.235 -8.241 9 HG12 ILE 2 HG12 ILE 2 3.376 15.291 -8.847 10 HG13 ILE 2 HG11 ILE 2 4.609 16.518 -8.624 11 HG21 ILE 2 HG21 ILE 2 0.797 16.190 -9.008 12 HG22 ILE 2 HG22 ILE 2 0.558 17.802 -8.353 13 HG23 ILE 2 HG23 ILE 2 1.187 16.525 -7.325 14 HD11 ILE 2 HD11 ILE 2 3.343 16.895 -6.346 15 HD12 ILE 2 HD12 ILE 2 4.544 15.618 -6.507 16 HD13 ILE 2 HD13 ILE 2 2.827 15.239 -6.621 17 H VAL 3 HN VAL 3 0.473 16.541 -11.093 18 HA VAL 3 HA VAL 3 1.257 13.843 -11.474 19 HB VAL 3 HB VAL 3 -0.950 15.429 -12.815 20 HG11 VAL 3 HG11 VAL 3 -0.482 12.448 -12.551 21 HG12 VAL 3 HG12 VAL 3 -0.537 13.374 -14.051 22 HG13 VAL 3 HG13 VAL 3 -1.998 13.169 -13.085 23 HG21 VAL 3 HG21 VAL 3 -2.337 14.393 -11.027 24 HG22 VAL 3 HG22 VAL 3 -1.074 15.429 -10.362 25 HG23 VAL 3 HG23 VAL 3 -0.881 13.676 -10.338 26 H GLU 4 HN GLU 4 0.924 16.426 -13.954 27 HA GLU 4 HA GLU 4 1.691 14.935 -16.198 28 HB2 GLU 4 HB2 GLU 4 0.987 17.220 -16.461 29 HB3 GLU 4 HB1 GLU 4 2.328 17.806 -15.478 30 HG2 GLU 4 HG2 GLU 4 3.908 17.441 -17.159 31 HG3 GLU 4 HG1 GLU 4 2.937 16.205 -17.955 32 H GLN 5 HN GLN 5 3.976 16.950 -14.314 33 HA GLN 5 HA GLN 5 6.269 15.944 -15.596 34 HB2 GLN 5 HB2 GLN 5 6.050 17.023 -12.775 35 HB3 GLN 5 HB1 GLN 5 7.539 16.882 -13.709 36 HG2 GLN 5 HG2 GLN 5 6.899 19.126 -14.049 37 HG3 GLN 5 HG1 GLN 5 6.310 18.312 -15.495 38 HE21 GLN 5 HE21 GLN 5 4.893 18.310 -12.201 39 HE22 GLN 5 HE22 GLN 5 3.410 18.990 -12.668 40 H CYS 6 HN CYS 6 4.711 14.770 -12.611 41 HA CYS 6 HA CYS 6 6.786 12.724 -12.226 42 HB2 CYS 6 HB2 CYS 6 4.179 12.875 -10.748 43 HB3 CYS 6 HB1 CYS 6 5.741 12.335 -10.140 44 H CYS 7 HN CYS 7 3.306 12.683 -13.056 45 HA CYS 7 HA CYS 7 3.363 9.775 -13.381 46 HB2 CYS 7 HB2 CYS 7 1.371 11.041 -12.550 47 HB3 CYS 7 HB1 CYS 7 1.183 11.727 -14.158 48 H THR 8 HN THR 8 2.803 12.503 -15.673 49 HA THR 8 HA THR 8 2.911 10.730 -17.966 50 HB THR 8 HB THR 8 3.466 13.700 -18.067 51 HG1 THR 8 HG1 THR 8 0.877 12.643 -18.187 52 HG21 THR 8 HG21 THR 8 1.895 11.902 -19.915 53 HG22 THR 8 HG22 THR 8 3.614 12.240 -20.116 54 HG23 THR 8 HG23 THR 8 2.439 13.550 -20.226 55 H SER 9 HN SER 9 5.236 12.506 -16.098 56 HA SER 9 HA SER 9 7.449 11.328 -17.729 57 HB2 SER 9 HB2 SER 9 7.241 14.174 -16.724 58 HB3 SER 9 HB1 SER 9 8.721 13.464 -17.337 59 HG SER 9 HG SER 9 6.793 14.595 -18.712 60 H ILE 10 HN ILE 10 9.573 11.584 -16.290 61 HA ILE 10 HA ILE 10 8.814 10.568 -13.616 62 HB ILE 10 HB ILE 10 11.590 10.877 -14.801 63 HG12 ILE 10 HG12 ILE 10 9.508 8.686 -14.975 64 HG13 ILE 10 HG11 ILE 10 10.498 9.369 -16.262 65 HG21 ILE 10 HG21 ILE 10 12.293 9.418 -13.029 66 HG22 ILE 10 HG22 ILE 10 10.630 9.048 -12.580 67 HG23 ILE 10 HG23 ILE 10 11.295 10.647 -12.259 68 HD11 ILE 10 HD11 ILE 10 11.245 7.354 -14.162 69 HD12 ILE 10 HD12 ILE 10 12.499 8.375 -14.863 70 HD13 ILE 10 HD13 ILE 10 11.546 7.313 -15.898 71 H CYS 11 HN CYS 11 8.905 11.769 -11.803 72 HA CYS 11 HA CYS 11 9.815 14.587 -12.010 73 HB2 CYS 11 HB2 CYS 11 7.971 13.041 -10.255 74 HB3 CYS 11 HB1 CYS 11 8.815 14.375 -9.482 75 H SER 12 HN SER 12 10.570 15.234 -9.586 76 HA SER 12 HA SER 12 12.688 13.366 -8.660 77 HB2 SER 12 HB2 SER 12 13.604 16.140 -8.592 78 HB3 SER 12 HB1 SER 12 14.393 14.739 -9.306 79 HG SER 12 HG SER 12 13.767 16.434 -10.802 80 H LEU 13 HN LEU 13 13.265 13.790 -6.472 81 HA LEU 13 HA LEU 13 11.275 14.235 -4.611 82 HB2 LEU 13 HB2 LEU 13 13.431 13.411 -3.944 83 HB3 LEU 13 HB1 LEU 13 14.237 14.864 -4.518 84 HG LEU 13 HG LEU 13 13.293 16.182 -2.749 85 HD11 LEU 13 HD11 LEU 13 11.056 15.412 -2.599 86 HD12 LEU 13 HD12 LEU 13 11.767 14.945 -1.056 87 HD13 LEU 13 HD13 LEU 13 11.561 13.747 -2.335 88 HD21 LEU 13 HD21 LEU 13 14.052 13.499 -1.580 89 HD22 LEU 13 HD22 LEU 13 14.179 15.070 -0.787 90 HD23 LEU 13 HD23 LEU 13 15.208 14.693 -2.170 91 H TYR 14 HN TYR 14 13.711 16.595 -5.485 92 HA TYR 14 HA TYR 14 12.759 18.880 -4.224 93 HB2 TYR 14 HB2 TYR 14 13.795 19.070 -7.036 94 HB3 TYR 14 HB1 TYR 14 14.162 20.089 -5.648 95 HD1 TYR 14 HD1 TYR 14 15.294 18.864 -3.586 96 HD2 TYR 14 HD2 TYR 14 15.291 17.403 -7.601 97 HE1 TYR 14 HE1 TYR 14 17.252 17.431 -3.063 98 HE2 TYR 14 HE2 TYR 14 17.235 15.967 -7.102 99 HH TYR 14 HH TYR 14 18.236 14.900 -4.990 100 H GLN 15 HN GLN 15 11.816 17.618 -7.394 101 HA GLN 15 HA GLN 15 9.867 19.691 -7.904 102 HB2 GLN 15 HB2 GLN 15 10.147 16.868 -8.962 103 HB3 GLN 15 HB1 GLN 15 8.873 17.962 -9.485 104 HG2 GLN 15 HG2 GLN 15 10.702 19.624 -10.067 105 HG3 GLN 15 HG1 GLN 15 11.857 18.321 -9.802 106 HE21 GLN 15 HE21 GLN 15 8.644 18.461 -11.361 107 HE22 GLN 15 HE22 GLN 15 9.152 17.757 -12.812 108 H LEU 16 HN LEU 16 9.857 16.658 -6.109 109 HA LEU 16 HA LEU 16 6.975 16.710 -5.705 110 HB2 LEU 16 HB2 LEU 16 9.203 15.034 -4.797 111 HB3 LEU 16 HB1 LEU 16 7.978 15.245 -3.565 112 HG LEU 16 HG LEU 16 6.261 14.545 -5.259 113 HD11 LEU 16 HD11 LEU 16 7.526 15.067 -7.276 114 HD12 LEU 16 HD12 LEU 16 7.097 13.356 -7.255 115 HD13 LEU 16 HD13 LEU 16 8.737 13.860 -6.846 116 HD21 LEU 16 HD21 LEU 16 7.207 12.092 -5.317 117 HD22 LEU 16 HD22 LEU 16 6.807 12.836 -3.770 118 HD23 LEU 16 HD23 LEU 16 8.486 12.760 -4.306 119 H GLU 17 HN GLU 17 9.791 17.919 -4.055 120 HA GLU 17 HA GLU 17 8.540 18.661 -1.637 121 HB2 GLU 17 HB2 GLU 17 10.891 19.897 -3.064 122 HB3 GLU 17 HB1 GLU 17 10.433 20.187 -1.400 123 HG2 GLU 17 HG2 GLU 17 10.574 17.542 -1.236 124 HG3 GLU 17 HG1 GLU 17 11.618 17.722 -2.619 125 H ASN 18 HN ASN 18 8.967 20.287 -4.666 126 HA ASN 18 HA ASN 18 8.258 22.914 -4.087 127 HB2 ASN 18 HB2 ASN 18 8.045 21.107 -6.423 128 HB3 ASN 18 HB1 ASN 18 6.951 22.472 -6.480 129 HD21 ASN 18 HD21 ASN 18 9.913 21.592 -7.567 130 HD22 ASN 18 HD22 ASN 18 10.706 23.092 -7.557 131 H TYR 19 HN TYR 19 6.175 20.154 -4.479 132 HA TYR 19 HA TYR 19 3.727 21.745 -4.216 133 HB2 TYR 19 HB2 TYR 19 4.043 18.752 -4.273 134 HB3 TYR 19 HB1 TYR 19 2.610 19.680 -4.687 135 HD1 TYR 19 HD1 TYR 19 3.149 21.643 -6.467 136 HD2 TYR 19 HD2 TYR 19 5.310 17.994 -6.076 137 HE1 TYR 19 HE1 TYR 19 3.956 21.897 -8.797 138 HE2 TYR 19 HE2 TYR 19 6.159 18.234 -8.403 139 HH TYR 19 HH TYR 19 4.977 20.817 -10.509 140 H CYS 20 HN CYS 20 5.843 20.724 -1.830 141 HA CYS 20 HA CYS 20 3.835 19.614 -0.033 142 HB2 CYS 20 HB2 CYS 20 6.453 20.870 0.719 143 HB3 CYS 20 HB1 CYS 20 5.474 19.831 1.672 144 H ASN 21 HN ASN 21 2.266 21.360 -0.454 145 HA ASN 21 HA ASN 21 1.127 23.304 0.177 146 HB2 ASN 21 HB2 ASN 21 1.160 22.234 2.347 147 HB3 ASN 21 HB1 ASN 21 2.808 22.770 2.639 148 HD21 ASN 21 HD21 ASN 21 2.745 24.431 4.161 149 HD22 ASN 21 HD22 ASN 21 1.625 25.706 4.164 150 H1 PHE 22 HT1 PHE 22 16.575 10.589 -3.276 151 H2 PHE 22 HT2 PHE 22 16.935 9.782 -4.727 152 H3 PHE 22 HT3 PHE 22 16.890 8.923 -3.262 153 HA PHE 22 HA PHE 22 14.580 9.087 -3.079 154 HB2 PHE 22 HB2 PHE 22 14.778 11.556 -3.967 155 HB3 PHE 22 HB1 PHE 22 14.430 10.836 -5.535 156 HD1 PHE 22 HD1 PHE 22 13.187 10.784 -1.992 157 HD2 PHE 22 HD2 PHE 22 12.172 10.561 -6.162 158 HE1 PHE 22 HE1 PHE 22 10.785 10.699 -1.405 159 HE2 PHE 22 HE2 PHE 22 9.765 10.480 -5.571 160 HZ PHE 22 HZ PHE 22 9.064 10.551 -3.189 161 H VAL 23 HN VAL 23 13.455 9.339 -6.049 162 HA VAL 23 HA VAL 23 14.701 6.919 -7.214 163 HB VAL 23 HB VAL 23 13.010 5.965 -5.785 164 HG11 VAL 23 HG11 VAL 23 10.654 6.698 -5.990 165 HG12 VAL 23 HG12 VAL 23 11.161 7.960 -7.112 166 HG13 VAL 23 HG13 VAL 23 11.707 7.999 -5.436 167 HG21 VAL 23 HG21 VAL 23 11.727 6.093 -8.523 168 HG22 VAL 23 HG22 VAL 23 11.765 4.739 -7.394 169 HG23 VAL 23 HG23 VAL 23 13.231 5.213 -8.250 170 H ASN 24 HN ASN 24 13.788 6.475 -9.398 171 HA ASN 24 HA ASN 24 12.784 8.961 -10.752 172 HB2 ASN 24 HB2 ASN 24 14.893 6.949 -11.553 173 HB3 ASN 24 HB1 ASN 24 14.057 7.912 -12.768 174 HD21 ASN 24 HD21 ASN 24 13.951 10.420 -11.977 175 HD22 ASN 24 HD22 ASN 24 15.441 11.036 -11.449 176 H GLN 25 HN GLN 25 10.695 7.776 -10.111 177 HA GLN 25 HA GLN 25 10.011 5.662 -12.135 178 HB2 GLN 25 HB2 GLN 25 9.339 6.038 -9.236 179 HB3 GLN 25 HB1 GLN 25 8.112 5.299 -10.252 180 HG2 GLN 25 HG2 GLN 25 9.703 3.566 -10.954 181 HG3 GLN 25 HG1 GLN 25 10.983 4.336 -10.014 182 HE21 GLN 25 HE21 GLN 25 8.209 4.798 -8.237 183 HE22 GLN 25 HE22 GLN 25 8.288 3.432 -7.233 184 H HIS 26 HN HIS 26 7.620 5.641 -12.610 185 HA HIS 26 HA HIS 26 6.698 8.400 -13.206 186 HB2 HIS 26 HB2 HIS 26 5.996 5.633 -14.189 187 HB3 HIS 26 HB1 HIS 26 4.830 6.937 -14.393 188 HD2 HIS 26 HD2 HIS 26 8.546 6.138 -15.556 189 HE1 HIS 26 HE1 HIS 26 6.914 9.098 -18.088 190 HE2 HIS 26 HE2 HIS 26 8.922 7.592 -17.678 191 H LEU 27 HN LEU 27 6.008 9.048 -11.131 192 HA LEU 27 HA LEU 27 4.206 7.340 -9.577 193 HB2 LEU 27 HB2 LEU 27 4.785 10.261 -9.050 194 HB3 LEU 27 HB1 LEU 27 4.302 9.002 -7.928 195 HG LEU 27 HG LEU 27 6.926 8.845 -9.407 196 HD11 LEU 27 HD11 LEU 27 6.884 10.956 -8.140 197 HD12 LEU 27 HD12 LEU 27 7.970 9.792 -7.379 198 HD13 LEU 27 HD13 LEU 27 6.370 10.083 -6.696 199 HD21 LEU 27 HD21 LEU 27 6.127 6.772 -8.378 200 HD22 LEU 27 HD22 LEU 27 5.836 7.613 -6.856 201 HD23 LEU 27 HD23 LEU 27 7.484 7.402 -7.446 202 H CYS 28 HN CYS 28 1.996 7.576 -9.365 203 HA CYS 28 HA CYS 28 0.686 9.905 -10.682 204 HB2 CYS 28 HB2 CYS 28 -0.178 7.039 -11.149 205 HB3 CYS 28 HB1 CYS 28 -0.877 8.489 -11.870 206 H GLY 29 HN GLY 29 -0.713 10.764 -9.324 207 HA2 GLY 29 HA2 GLY 29 -1.933 11.034 -7.325 208 HA3 GLY 29 HA1 GLY 29 -2.844 9.705 -8.020 209 H SER 30 HN SER 30 -2.934 7.855 -6.861 210 HA SER 30 HA SER 30 -2.212 7.523 -4.259 211 HB2 SER 30 HB2 SER 30 -3.527 5.851 -5.448 212 HB3 SER 30 HB1 SER 30 -2.118 5.372 -6.389 213 HG SER 30 HG SER 30 -2.880 4.424 -4.075 214 H ASP 31 HN ASP 31 -0.072 6.384 -6.912 215 HA ASP 31 HA ASP 31 2.070 5.766 -5.080 216 HB2 ASP 31 HB2 ASP 31 2.550 6.373 -7.995 217 HB3 ASP 31 HB1 ASP 31 3.294 5.142 -6.977 218 H LEU 32 HN LEU 32 1.102 8.642 -6.792 219 HA LEU 32 HA LEU 32 3.631 10.049 -6.268 220 HB2 LEU 32 HB2 LEU 32 2.494 10.600 -8.303 221 HB3 LEU 32 HB1 LEU 32 0.966 10.811 -7.463 222 HG LEU 32 HG LEU 32 1.800 12.826 -6.357 223 HD11 LEU 32 HD11 LEU 32 4.062 12.775 -5.967 224 HD12 LEU 32 HD12 LEU 32 4.160 13.567 -7.532 225 HD13 LEU 32 HD13 LEU 32 4.414 11.843 -7.417 226 HD21 LEU 32 HD21 LEU 32 0.958 12.643 -8.897 227 HD22 LEU 32 HD22 LEU 32 2.589 13.191 -9.228 228 HD23 LEU 32 HD23 LEU 32 1.525 14.163 -8.229 229 H VAL 33 HN VAL 33 0.270 10.677 -5.358 230 HA VAL 33 HA VAL 33 0.552 12.572 -3.401 231 HB VAL 33 HB VAL 33 -1.167 10.079 -3.424 232 HG11 VAL 33 HG11 VAL 33 -2.535 11.616 -1.731 233 HG12 VAL 33 HG12 VAL 33 -0.932 12.254 -1.383 234 HG13 VAL 33 HG13 VAL 33 -1.260 10.544 -1.151 235 HG21 VAL 33 HG21 VAL 33 -2.880 11.543 -4.226 236 HG22 VAL 33 HG22 VAL 33 -1.434 11.889 -5.175 237 HG23 VAL 33 HG23 VAL 33 -1.911 12.971 -3.867 238 H GLU 34 HN GLU 34 0.680 9.064 -2.792 239 HA GLU 34 HA GLU 34 1.579 9.235 -0.113 240 HB2 GLU 34 HB2 GLU 34 2.193 6.934 -0.279 241 HB3 GLU 34 HB1 GLU 34 0.839 7.126 -1.389 242 HG2 GLU 34 HG2 GLU 34 2.478 7.424 -3.242 243 HG3 GLU 34 HG1 GLU 34 3.772 7.056 -2.110 244 H ALA 35 HN ALA 35 3.320 9.422 -3.169 245 HA ALA 35 HA ALA 35 5.981 9.441 -2.086 246 HB1 ALA 35 HB1 ALA 35 5.141 9.403 -4.617 247 HB2 ALA 35 HB2 ALA 35 6.685 10.130 -4.213 248 HB3 ALA 35 HB3 ALA 35 5.274 11.152 -4.476 249 H LEU 36 HN LEU 36 3.473 11.940 -2.475 250 HA LEU 36 HA LEU 36 5.264 14.038 -1.603 251 HB2 LEU 36 HB2 LEU 36 2.282 13.855 -1.862 252 HB3 LEU 36 HB1 LEU 36 3.097 15.308 -1.285 253 HG LEU 36 HG LEU 36 3.854 13.965 -3.901 254 HD11 LEU 36 HD11 LEU 36 2.375 16.230 -4.547 255 HD12 LEU 36 HD12 LEU 36 1.443 15.501 -3.265 256 HD13 LEU 36 HD13 LEU 36 1.848 14.563 -4.693 257 HD21 LEU 36 HD21 LEU 36 4.452 16.636 -2.577 258 HD22 LEU 36 HD22 LEU 36 4.555 16.464 -4.325 259 HD23 LEU 36 HD23 LEU 36 5.580 15.486 -3.288 260 H TYR 37 HN TYR 37 2.469 12.436 -0.032 261 HA TYR 37 HA TYR 37 2.721 13.459 2.555 262 HB2 TYR 37 HB2 TYR 37 0.962 11.847 1.858 263 HB3 TYR 37 HB1 TYR 37 2.175 10.564 1.827 264 HD1 TYR 37 HD2 TYR 37 3.373 9.926 3.925 265 HD2 TYR 37 HD1 TYR 37 0.055 12.640 3.908 266 HE1 TYR 37 HE2 TYR 37 3.115 9.616 6.372 267 HE2 TYR 37 HE1 TYR 37 -0.205 12.343 6.353 268 HH TYR 37 HH TYR 37 2.088 11.111 8.312 269 H LEU 38 HN LEU 38 4.693 11.127 0.886 270 HA LEU 38 HA LEU 38 6.270 10.305 3.171 271 HB2 LEU 38 HB2 LEU 38 5.949 8.961 1.105 272 HB3 LEU 38 HB1 LEU 38 6.808 10.175 0.180 273 HG LEU 38 HG LEU 38 8.171 9.010 2.592 274 HD11 LEU 38 HD11 LEU 38 7.362 6.998 1.522 275 HD12 LEU 38 HD12 LEU 38 9.070 7.169 1.118 276 HD13 LEU 38 HD13 LEU 38 7.837 7.597 -0.068 277 HD21 LEU 38 HD21 LEU 38 9.447 10.687 1.460 278 HD22 LEU 38 HD22 LEU 38 9.025 10.043 -0.122 279 HD23 LEU 38 HD23 LEU 38 10.134 9.161 0.919 280 H VAL 39 HN VAL 39 6.723 12.477 0.405 281 HA VAL 39 HA VAL 39 9.275 13.526 1.301 282 HB VAL 39 HB VAL 39 7.255 14.340 -0.796 283 HG11 VAL 39 HG11 VAL 39 9.815 15.720 -0.049 284 HG12 VAL 39 HG12 VAL 39 8.201 16.424 -0.168 285 HG13 VAL 39 HG13 VAL 39 9.040 15.902 -1.621 286 HG21 VAL 39 HG21 VAL 39 9.224 13.749 -2.282 287 HG22 VAL 39 HG22 VAL 39 8.489 12.404 -1.423 288 HG23 VAL 39 HG23 VAL 39 9.990 13.093 -0.839 289 H CYS 40 HN CYS 40 6.098 15.087 0.947 290 HA CYS 40 HA CYS 40 6.775 17.427 2.443 291 HB2 CYS 40 HB2 CYS 40 4.048 16.251 1.934 292 HB3 CYS 40 HB1 CYS 40 4.435 17.943 2.190 293 H GLY 41 HN GLY 41 4.821 14.560 3.367 294 HA2 GLY 41 HA2 GLY 41 4.310 13.735 5.501 295 HA3 GLY 41 HA1 GLY 41 5.675 14.667 6.107 296 H GLU 42 HN GLU 42 5.071 16.117 7.617 297 HA GLU 42 HA GLU 42 2.358 16.776 8.181 298 HB2 GLU 42 HB2 GLU 42 4.048 16.913 9.911 299 HB3 GLU 42 HB1 GLU 42 4.930 18.143 9.005 300 HG2 GLU 42 HG2 GLU 42 3.243 19.773 9.350 301 HG3 GLU 42 HG1 GLU 42 2.059 18.563 9.846 302 H ARG 43 HN ARG 43 4.863 18.648 6.460 303 HA ARG 43 HA ARG 43 3.565 21.076 6.166 304 HB2 ARG 43 HB2 ARG 43 4.867 19.835 3.744 305 HB3 ARG 43 HB1 ARG 43 4.917 21.507 4.302 306 HG2 ARG 43 HG2 ARG 43 6.245 20.756 6.272 307 HG3 ARG 43 HG1 ARG 43 6.270 19.135 5.582 308 HD2 ARG 43 HD2 ARG 43 7.043 20.905 3.500 309 HD3 ARG 43 HD1 ARG 43 7.952 21.373 4.925 310 HE ARG 43 HE ARG 43 8.229 18.970 3.336 311 HH11 ARG 43 HH21 ARG 43 8.270 20.085 6.585 312 HH12 ARG 43 HH22 ARG 43 9.212 18.753 7.167 313 HH21 ARG 43 HH11 ARG 43 9.454 17.224 4.065 314 HH22 ARG 43 HH12 ARG 43 9.882 17.134 5.741 315 H GLY 44 HN GLY 44 2.487 18.025 4.918 316 HA2 GLY 44 HA2 GLY 44 0.467 17.562 3.761 317 HA3 GLY 44 HA1 GLY 44 0.055 19.278 3.899 318 H PHE 45 HN PHE 45 -0.570 18.561 1.444 319 HA PHE 45 HA PHE 45 1.486 19.822 -0.187 320 HB2 PHE 45 HB2 PHE 45 1.790 17.771 -1.652 321 HB3 PHE 45 HB1 PHE 45 2.543 17.709 -0.071 322 HD1 PHE 45 HD1 PHE 45 -0.292 16.513 -2.081 323 HD2 PHE 45 HD2 PHE 45 1.781 16.228 1.641 324 HE1 PHE 45 HE1 PHE 45 -1.571 14.450 -1.530 325 HE2 PHE 45 HE2 PHE 45 0.524 14.171 2.204 326 HZ PHE 45 HZ PHE 45 -1.148 13.282 0.621 327 H 23F 46 HN 23F 46 0.785 19.761 -2.735 328 HB 23F 46 HB 23F 46 -2.381 21.164 -4.516 329 HD1 23F 46 HD1 23F 46 0.870 21.606 -2.272 330 HD2 23F 46 HD2 23F 46 -2.204 23.546 -4.796 331 HE1 23F 46 HE1 23F 46 2.032 23.807 -2.032 332 HE2 23F 46 HE2 23F 46 -1.032 25.672 -4.528 333 HZ 23F 46 HZ 23F 46 1.089 25.864 -3.157 334 H TYR 47 HN TYR 47 -3.449 18.704 -2.370 335 HA TYR 47 HA TYR 47 -4.268 17.214 -4.666 336 HB2 TYR 47 HB2 TYR 47 -2.134 15.916 -3.229 337 HB3 TYR 47 HB1 TYR 47 -3.587 15.005 -2.899 338 HD1 TYR 47 HD2 TYR 47 -5.141 14.669 -5.079 339 HD2 TYR 47 HD1 TYR 47 -0.884 15.301 -5.123 340 HE1 TYR 47 HE2 TYR 47 -5.001 13.590 -7.306 341 HE2 TYR 47 HE1 TYR 47 -0.753 14.208 -7.340 342 HH TYR 47 HH TYR 47 -2.297 12.410 -8.607 343 H THR 48 HN THR 48 -6.276 18.023 -4.013 344 HA THR 48 HA THR 48 -7.307 17.450 -1.329 345 HB THR 48 HB THR 48 -8.100 19.484 -2.279 346 HG1 THR 48 HG1 THR 48 -9.859 18.667 -1.388 347 HG21 THR 48 HG21 THR 48 -8.570 17.810 -4.746 348 HG22 THR 48 HG22 THR 48 -7.576 19.257 -4.576 349 HG23 THR 48 HG23 THR 48 -9.334 19.385 -4.535 350 H LYS 49 HN LYS 49 -9.842 17.000 -3.429 351 HA LYS 49 HA LYS 49 -9.794 14.071 -2.953 352 HB2 LYS 49 HB2 LYS 49 -12.198 15.011 -4.325 353 HB3 LYS 49 HB1 LYS 49 -12.057 14.296 -2.721 354 HG2 LYS 49 HG2 LYS 49 -11.381 16.516 -1.824 355 HG3 LYS 49 HG1 LYS 49 -11.648 17.212 -3.423 356 HD2 LYS 49 HD2 LYS 49 -13.985 16.710 -3.355 357 HD3 LYS 49 HD1 LYS 49 -13.790 15.676 -1.940 358 HE2 LYS 49 HE2 LYS 49 -14.703 17.820 -1.229 359 HE3 LYS 49 HE1 LYS 49 -13.049 17.676 -0.635 360 HZ1 LYS 49 HZ1 LYS 49 -12.339 19.320 -1.958 361 HZ2 LYS 49 HZ2 LYS 49 -13.975 19.775 -2.006 362 HZ3 LYS 49 HZ3 LYS 49 -13.310 18.849 -3.266 363 HA PRO 50 HA PRO 50 -8.907 12.741 -7.026 364 HB2 PRO 50 HB2 PRO 50 -11.655 11.789 -7.595 365 HB3 PRO 50 HB1 PRO 50 -10.139 10.874 -7.566 366 HG2 PRO 50 HG2 PRO 50 -12.081 10.738 -5.583 367 HG3 PRO 50 HG1 PRO 50 -10.371 10.343 -5.340 368 HD2 PRO 50 HD2 PRO 50 -11.874 12.688 -4.368 369 HD3 PRO 50 HD1 PRO 50 -10.306 12.063 -3.834 370 H THR 51 HN THR 51 -12.334 13.687 -7.394 371 HA THR 51 HA THR 51 -11.936 15.019 -9.888 372 HB THR 51 HB THR 51 -14.166 14.359 -9.297 373 HG1 THR 51 HG1 THR 51 -14.101 16.298 -10.423 374 HG21 THR 51 HG21 THR 51 -13.952 14.338 -6.881 375 HG22 THR 51 HG22 THR 51 -15.308 15.380 -7.313 376 HG23 THR 51 HG23 THR 51 -13.764 16.091 -6.845 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 1.874 21.132 -14.105 2 H2 GLY 1 HT2 GLY 1 0.221 21.513 -14.013 3 H3 GLY 1 HT3 GLY 1 0.722 20.073 -14.760 4 HA2 GLY 1 HA2 GLY 1 0.465 20.797 -11.855 5 HA3 GLY 1 HA1 GLY 1 0.240 19.243 -12.705 6 H ILE 2 HN ILE 2 1.315 19.017 -10.378 7 HA ILE 2 HA ILE 2 3.909 17.958 -10.846 8 HB ILE 2 HB ILE 2 3.076 18.276 -8.589 9 HG12 ILE 2 HG12 ILE 2 3.477 15.310 -9.159 10 HG13 ILE 2 HG11 ILE 2 4.750 16.492 -8.909 11 HG21 ILE 2 HG21 ILE 2 0.738 17.919 -8.805 12 HG22 ILE 2 HG22 ILE 2 1.287 16.649 -7.723 13 HG23 ILE 2 HG23 ILE 2 0.957 16.285 -9.411 14 HD11 ILE 2 HD11 ILE 2 2.858 15.302 -6.954 15 HD12 ILE 2 HD12 ILE 2 3.419 16.944 -6.678 16 HD13 ILE 2 HD13 ILE 2 4.581 15.626 -6.785 17 H VAL 3 HN VAL 3 0.720 16.627 -11.497 18 HA VAL 3 HA VAL 3 1.431 13.908 -11.833 19 HB VAL 3 HB VAL 3 -0.667 15.557 -13.270 20 HG11 VAL 3 HG11 VAL 3 -0.283 13.489 -14.484 21 HG12 VAL 3 HG12 VAL 3 -1.777 13.327 -13.562 22 HG13 VAL 3 HG13 VAL 3 -0.298 12.565 -12.983 23 HG21 VAL 3 HG21 VAL 3 -2.138 14.439 -11.527 24 HG22 VAL 3 HG22 VAL 3 -1.002 15.626 -10.885 25 HG23 VAL 3 HG23 VAL 3 -0.659 13.903 -10.730 26 H GLU 4 HN GLU 4 1.333 16.497 -14.319 27 HA GLU 4 HA GLU 4 2.100 14.957 -16.537 28 HB2 GLU 4 HB2 GLU 4 1.501 17.267 -16.831 29 HB3 GLU 4 HB1 GLU 4 2.828 17.802 -15.803 30 HG2 GLU 4 HG2 GLU 4 4.453 17.358 -17.423 31 HG3 GLU 4 HG1 GLU 4 3.452 16.173 -18.258 32 H GLN 5 HN GLN 5 4.415 16.889 -14.593 33 HA GLN 5 HA GLN 5 6.693 15.752 -15.801 34 HB2 GLN 5 HB2 GLN 5 6.411 16.931 -13.025 35 HB3 GLN 5 HB1 GLN 5 7.945 16.618 -13.835 36 HG2 GLN 5 HG2 GLN 5 7.543 18.891 -14.310 37 HG3 GLN 5 HG1 GLN 5 6.980 18.073 -15.763 38 HE21 GLN 5 HE21 GLN 5 5.503 18.672 -12.533 39 HE22 GLN 5 HE22 GLN 5 4.062 19.326 -13.146 40 H CYS 6 HN CYS 6 4.969 14.695 -12.871 41 HA CYS 6 HA CYS 6 6.934 12.568 -12.364 42 HB2 CYS 6 HB2 CYS 6 4.275 12.856 -11.005 43 HB3 CYS 6 HB1 CYS 6 5.786 12.258 -10.323 44 H CYS 7 HN CYS 7 3.483 12.647 -13.326 45 HA CYS 7 HA CYS 7 3.459 9.733 -13.616 46 HB2 CYS 7 HB2 CYS 7 1.480 11.070 -12.863 47 HB3 CYS 7 HB1 CYS 7 1.361 11.735 -14.488 48 H THR 8 HN THR 8 3.067 12.453 -15.951 49 HA THR 8 HA THR 8 3.183 10.664 -18.226 50 HB THR 8 HB THR 8 3.896 13.600 -18.326 51 HG1 THR 8 HG1 THR 8 1.318 12.429 -18.191 52 HG21 THR 8 HG21 THR 8 2.715 13.434 -20.494 53 HG22 THR 8 HG22 THR 8 2.446 11.717 -20.196 54 HG23 THR 8 HG23 THR 8 4.087 12.331 -20.400 55 H SER 9 HN SER 9 5.527 12.411 -16.326 56 HA SER 9 HA SER 9 7.739 11.069 -17.833 57 HB2 SER 9 HB2 SER 9 7.640 13.938 -16.874 58 HB3 SER 9 HB1 SER 9 9.103 13.144 -17.424 59 HG SER 9 HG SER 9 7.512 12.641 -19.319 60 H ILE 10 HN ILE 10 9.815 11.242 -16.311 61 HA ILE 10 HA ILE 10 8.899 10.306 -13.657 62 HB ILE 10 HB ILE 10 11.729 10.454 -14.742 63 HG12 ILE 10 HG12 ILE 10 9.548 8.362 -14.941 64 HG13 ILE 10 HG11 ILE 10 10.595 8.982 -16.215 65 HG21 ILE 10 HG21 ILE 10 10.595 8.722 -12.524 66 HG22 ILE 10 HG22 ILE 10 11.344 10.285 -12.210 67 HG23 ILE 10 HG23 ILE 10 12.291 8.986 -12.923 68 HD11 ILE 10 HD11 ILE 10 11.219 6.985 -14.055 69 HD12 ILE 10 HD12 ILE 10 12.523 7.925 -14.779 70 HD13 ILE 10 HD13 ILE 10 11.526 6.876 -15.787 71 H CYS 11 HN CYS 11 8.959 11.538 -11.867 72 HA CYS 11 HA CYS 11 10.027 14.298 -12.064 73 HB2 CYS 11 HB2 CYS 11 8.048 12.867 -10.356 74 HB3 CYS 11 HB1 CYS 11 8.925 14.175 -9.575 75 H SER 12 HN SER 12 10.725 14.936 -9.624 76 HA SER 12 HA SER 12 12.703 12.974 -8.592 77 HB2 SER 12 HB2 SER 12 13.710 15.738 -8.562 78 HB3 SER 12 HB1 SER 12 14.517 14.270 -9.098 79 HG SER 12 HG SER 12 12.616 14.771 -10.842 80 H LEU 13 HN LEU 13 13.238 13.426 -6.394 81 HA LEU 13 HA LEU 13 11.198 13.977 -4.613 82 HB2 LEU 13 HB2 LEU 13 13.292 13.079 -3.854 83 HB3 LEU 13 HB1 LEU 13 14.177 14.485 -4.425 84 HG LEU 13 HG LEU 13 13.232 15.876 -2.714 85 HD11 LEU 13 HD11 LEU 13 11.595 14.737 -1.055 86 HD12 LEU 13 HD12 LEU 13 11.383 13.524 -2.317 87 HD13 LEU 13 HD13 LEU 13 10.958 15.203 -2.631 88 HD21 LEU 13 HD21 LEU 13 13.813 13.191 -1.451 89 HD22 LEU 13 HD22 LEU 13 14.020 14.780 -0.713 90 HD23 LEU 13 HD23 LEU 13 15.054 14.289 -2.055 91 H TYR 14 HN TYR 14 13.755 16.224 -5.437 92 HA TYR 14 HA TYR 14 12.852 18.566 -4.247 93 HB2 TYR 14 HB2 TYR 14 13.991 18.667 -7.024 94 HB3 TYR 14 HB1 TYR 14 14.354 19.692 -5.639 95 HD1 TYR 14 HD1 TYR 14 15.373 18.462 -3.526 96 HD2 TYR 14 HD2 TYR 14 15.425 16.922 -7.511 97 HE1 TYR 14 HE1 TYR 14 17.254 16.962 -2.917 98 HE2 TYR 14 HE2 TYR 14 17.294 15.418 -6.926 99 HH TYR 14 HH TYR 14 19.096 15.293 -5.253 100 H GLN 15 HN GLN 15 11.973 17.289 -7.429 101 HA GLN 15 HA GLN 15 10.129 19.426 -8.047 102 HB2 GLN 15 HB2 GLN 15 10.330 16.573 -9.037 103 HB3 GLN 15 HB1 GLN 15 9.123 17.706 -9.630 104 HG2 GLN 15 HG2 GLN 15 11.040 19.278 -10.178 105 HG3 GLN 15 HG1 GLN 15 12.129 17.934 -9.845 106 HE21 GLN 15 HE21 GLN 15 8.974 18.146 -11.510 107 HE22 GLN 15 HE22 GLN 15 9.506 17.401 -12.932 108 H LEU 16 HN LEU 16 9.931 16.428 -6.203 109 HA LEU 16 HA LEU 16 7.041 16.602 -5.908 110 HB2 LEU 16 HB2 LEU 16 9.166 14.852 -4.893 111 HB3 LEU 16 HB1 LEU 16 7.903 15.128 -3.712 112 HG LEU 16 HG LEU 16 6.225 14.474 -5.462 113 HD11 LEU 16 HD11 LEU 16 7.492 14.898 -7.457 114 HD12 LEU 16 HD12 LEU 16 7.157 13.167 -7.385 115 HD13 LEU 16 HD13 LEU 16 8.755 13.776 -6.949 116 HD21 LEU 16 HD21 LEU 16 8.346 12.609 -4.423 117 HD22 LEU 16 HD22 LEU 16 7.064 11.989 -5.460 118 HD23 LEU 16 HD23 LEU 16 6.659 12.765 -3.930 119 H GLU 17 HN GLU 17 9.841 17.715 -4.162 120 HA GLU 17 HA GLU 17 8.532 18.543 -1.806 121 HB2 GLU 17 HB2 GLU 17 10.978 19.670 -3.161 122 HB3 GLU 17 HB1 GLU 17 10.472 19.999 -1.518 123 HG2 GLU 17 HG2 GLU 17 10.504 17.349 -1.320 124 HG3 GLU 17 HG1 GLU 17 11.609 17.476 -2.664 125 H ASN 18 HN ASN 18 9.132 20.106 -4.839 126 HA ASN 18 HA ASN 18 8.503 22.767 -4.323 127 HB2 ASN 18 HB2 ASN 18 8.313 20.934 -6.641 128 HB3 ASN 18 HB1 ASN 18 7.276 22.340 -6.760 129 HD21 ASN 18 HD21 ASN 18 10.268 21.314 -7.670 130 HD22 ASN 18 HD22 ASN 18 11.107 22.789 -7.668 131 H TYR 19 HN TYR 19 6.330 20.082 -4.758 132 HA TYR 19 HA TYR 19 3.939 21.773 -4.612 133 HB2 TYR 19 HB2 TYR 19 4.132 18.770 -4.628 134 HB3 TYR 19 HB1 TYR 19 2.758 19.752 -5.110 135 HD1 TYR 19 HD1 TYR 19 3.454 21.672 -6.884 136 HD2 TYR 19 HD2 TYR 19 5.435 17.936 -6.370 137 HE1 TYR 19 HE1 TYR 19 4.366 21.866 -9.180 138 HE2 TYR 19 HE2 TYR 19 6.389 18.115 -8.662 139 HH TYR 19 HH TYR 19 5.324 19.701 -10.954 140 H CYS 20 HN CYS 20 5.916 20.681 -2.138 141 HA CYS 20 HA CYS 20 3.807 19.661 -0.410 142 HB2 CYS 20 HB2 CYS 20 6.446 20.827 0.405 143 HB3 CYS 20 HB1 CYS 20 5.404 19.843 1.352 144 H ASN 21 HN ASN 21 2.344 21.495 -0.951 145 HA ASN 21 HA ASN 21 1.310 23.542 -0.430 146 HB2 ASN 21 HB2 ASN 21 1.055 22.268 1.672 147 HB3 ASN 21 HB1 ASN 21 2.601 22.895 2.233 148 HD21 ASN 21 HD21 ASN 21 -0.219 23.357 3.306 149 HD22 ASN 21 HD22 ASN 21 -0.391 25.046 3.340 150 H1 PHE 22 HT1 PHE 22 16.277 10.114 -2.988 151 H2 PHE 22 HT2 PHE 22 16.664 9.338 -4.449 152 H3 PHE 22 HT3 PHE 22 16.533 8.438 -3.014 153 HA PHE 22 HA PHE 22 14.217 8.722 -2.901 154 HB2 PHE 22 HB2 PHE 22 14.563 11.170 -3.813 155 HB3 PHE 22 HB1 PHE 22 14.242 10.441 -5.383 156 HD1 PHE 22 HD1 PHE 22 12.869 10.512 -1.891 157 HD2 PHE 22 HD2 PHE 22 12.000 10.238 -6.090 158 HE1 PHE 22 HE1 PHE 22 10.446 10.539 -1.393 159 HE2 PHE 22 HE2 PHE 22 9.571 10.269 -5.588 160 HZ PHE 22 HZ PHE 22 8.787 10.419 -3.236 161 H VAL 23 HN VAL 23 13.239 8.979 -5.924 162 HA VAL 23 HA VAL 23 14.436 6.500 -7.008 163 HB VAL 23 HB VAL 23 12.666 5.624 -5.623 164 HG11 VAL 23 HG11 VAL 23 11.421 7.716 -5.366 165 HG12 VAL 23 HG12 VAL 23 10.349 6.425 -5.907 166 HG13 VAL 23 HG13 VAL 23 10.918 7.638 -7.054 167 HG21 VAL 23 HG21 VAL 23 11.486 5.745 -8.407 168 HG22 VAL 23 HG22 VAL 23 11.443 4.409 -7.257 169 HG23 VAL 23 HG23 VAL 23 12.952 4.824 -8.067 170 H ASN 24 HN ASN 24 13.580 6.054 -9.215 171 HA ASN 24 HA ASN 24 12.706 8.552 -10.634 172 HB2 ASN 24 HB2 ASN 24 14.765 6.455 -11.342 173 HB3 ASN 24 HB1 ASN 24 14.004 7.432 -12.594 174 HD21 ASN 24 HD21 ASN 24 13.825 9.941 -11.365 175 HD22 ASN 24 HD22 ASN 24 15.380 10.512 -10.994 176 H GLN 25 HN GLN 25 10.557 7.449 -10.043 177 HA GLN 25 HA GLN 25 9.859 5.337 -12.064 178 HB2 GLN 25 HB2 GLN 25 9.108 5.777 -9.194 179 HB3 GLN 25 HB1 GLN 25 7.892 5.064 -10.241 180 HG2 GLN 25 HG2 GLN 25 9.424 3.259 -10.852 181 HG3 GLN 25 HG1 GLN 25 10.721 4.010 -9.920 182 HE21 GLN 25 HE21 GLN 25 8.057 4.670 -8.110 183 HE22 GLN 25 HE22 GLN 25 8.036 3.307 -7.100 184 H HIS 26 HN HIS 26 7.491 5.403 -12.629 185 HA HIS 26 HA HIS 26 6.696 8.188 -13.282 186 HB2 HIS 26 HB2 HIS 26 5.919 5.438 -14.254 187 HB3 HIS 26 HB1 HIS 26 4.803 6.778 -14.503 188 HD2 HIS 26 HD2 HIS 26 8.487 5.789 -15.601 189 HE1 HIS 26 HE1 HIS 26 7.076 8.857 -18.140 190 HE2 HIS 26 HE2 HIS 26 8.981 7.228 -17.711 191 H LEU 27 HN LEU 27 5.965 8.899 -11.246 192 HA LEU 27 HA LEU 27 4.048 7.293 -9.720 193 HB2 LEU 27 HB2 LEU 27 4.733 10.197 -9.230 194 HB3 LEU 27 HB1 LEU 27 4.162 8.984 -8.098 195 HG LEU 27 HG LEU 27 6.821 8.689 -9.494 196 HD11 LEU 27 HD11 LEU 27 7.855 9.635 -7.477 197 HD12 LEU 27 HD12 LEU 27 6.259 9.965 -6.803 198 HD13 LEU 27 HD13 LEU 27 6.802 10.823 -8.245 199 HD21 LEU 27 HD21 LEU 27 7.255 7.257 -7.489 200 HD22 LEU 27 HD22 LEU 27 5.916 6.664 -8.470 201 HD23 LEU 27 HD23 LEU 27 5.594 7.534 -6.970 202 H CYS 28 HN CYS 28 1.832 7.658 -9.550 203 HA CYS 28 HA CYS 28 0.685 10.004 -10.977 204 HB2 CYS 28 HB2 CYS 28 -0.285 7.174 -11.449 205 HB3 CYS 28 HB1 CYS 28 -0.882 8.643 -12.221 206 H GLY 29 HN GLY 29 -0.744 10.940 -9.704 207 HA2 GLY 29 HA2 GLY 29 -2.054 11.291 -7.778 208 HA3 GLY 29 HA1 GLY 29 -2.981 9.993 -8.504 209 H SER 30 HN SER 30 -3.165 8.118 -7.374 210 HA SER 30 HA SER 30 -2.669 7.795 -4.720 211 HB2 SER 30 HB2 SER 30 -3.891 6.083 -5.826 212 HB3 SER 30 HB1 SER 30 -2.547 5.715 -6.903 213 HG SER 30 HG SER 30 -1.494 4.738 -5.269 214 H ASP 31 HN ASP 31 -0.343 6.479 -7.125 215 HA ASP 31 HA ASP 31 1.647 5.911 -5.145 216 HB2 ASP 31 HB2 ASP 31 2.292 6.538 -8.027 217 HB3 ASP 31 HB1 ASP 31 3.063 5.374 -6.952 218 H LEU 32 HN LEU 32 1.152 8.681 -7.299 219 HA LEU 32 HA LEU 32 3.502 10.129 -6.485 220 HB2 LEU 32 HB2 LEU 32 2.436 10.645 -8.580 221 HB3 LEU 32 HB1 LEU 32 0.890 10.917 -7.788 222 HG LEU 32 HG LEU 32 1.753 12.925 -6.694 223 HD11 LEU 32 HD11 LEU 32 4.363 11.847 -7.668 224 HD12 LEU 32 HD12 LEU 32 4.000 12.793 -6.233 225 HD13 LEU 32 HD13 LEU 32 4.163 13.580 -7.792 226 HD21 LEU 32 HD21 LEU 32 0.988 12.723 -9.257 227 HD22 LEU 32 HD22 LEU 32 2.644 13.223 -9.541 228 HD23 LEU 32 HD23 LEU 32 1.574 14.237 -8.592 229 H VAL 33 HN VAL 33 0.113 10.857 -5.760 230 HA VAL 33 HA VAL 33 0.351 12.757 -3.802 231 HB VAL 33 HB VAL 33 -1.430 10.311 -3.897 232 HG11 VAL 33 HG11 VAL 33 -1.229 12.474 -1.842 233 HG12 VAL 33 HG12 VAL 33 -1.619 10.774 -1.632 234 HG13 VAL 33 HG13 VAL 33 -2.833 11.885 -2.265 235 HG21 VAL 33 HG21 VAL 33 -2.099 13.217 -4.364 236 HG22 VAL 33 HG22 VAL 33 -3.060 11.802 -4.792 237 HG23 VAL 33 HG23 VAL 33 -1.559 12.142 -5.653 238 H GLU 34 HN GLU 34 0.359 9.259 -3.189 239 HA GLU 34 HA GLU 34 1.133 9.367 -0.465 240 HB2 GLU 34 HB2 GLU 34 1.584 7.312 -2.636 241 HB3 GLU 34 HB1 GLU 34 2.233 7.071 -1.013 242 HG2 GLU 34 HG2 GLU 34 -0.677 7.712 -1.540 243 HG3 GLU 34 HG1 GLU 34 -0.062 6.067 -1.416 244 H ALA 35 HN ALA 35 3.040 9.428 -3.447 245 HA ALA 35 HA ALA 35 5.640 9.412 -2.255 246 HB1 ALA 35 HB1 ALA 35 4.915 9.353 -4.812 247 HB2 ALA 35 HB2 ALA 35 6.453 10.066 -4.355 248 HB3 ALA 35 HB3 ALA 35 5.069 11.103 -4.695 249 H LEU 36 HN LEU 36 3.238 12.001 -2.767 250 HA LEU 36 HA LEU 36 5.082 14.036 -1.848 251 HB2 LEU 36 HB2 LEU 36 2.106 13.972 -2.207 252 HB3 LEU 36 HB1 LEU 36 2.960 15.394 -1.612 253 HG LEU 36 HG LEU 36 3.752 14.003 -4.191 254 HD11 LEU 36 HD11 LEU 36 1.378 15.626 -3.650 255 HD12 LEU 36 HD12 LEU 36 1.800 14.671 -5.058 256 HD13 LEU 36 HD13 LEU 36 2.383 16.319 -4.901 257 HD21 LEU 36 HD21 LEU 36 5.511 15.464 -3.527 258 HD22 LEU 36 HD22 LEU 36 4.405 16.662 -2.869 259 HD23 LEU 36 HD23 LEU 36 4.560 16.470 -4.610 260 H TYR 37 HN TYR 37 2.168 12.572 -0.371 261 HA TYR 37 HA TYR 37 2.364 13.604 2.215 262 HB2 TYR 37 HB2 TYR 37 0.563 12.070 1.464 263 HB3 TYR 37 HB1 TYR 37 1.717 10.733 1.476 264 HD1 TYR 37 HD2 TYR 37 2.798 10.032 3.608 265 HD2 TYR 37 HD1 TYR 37 -0.365 12.921 3.482 266 HE1 TYR 37 HE2 TYR 37 2.441 9.737 6.045 267 HE2 TYR 37 HE1 TYR 37 -0.724 12.640 5.917 268 HH TYR 37 HH TYR 37 1.215 10.310 7.804 269 H LEU 38 HN LEU 38 4.318 11.200 0.636 270 HA LEU 38 HA LEU 38 5.758 10.338 3.001 271 HB2 LEU 38 HB2 LEU 38 5.481 8.957 0.968 272 HB3 LEU 38 HB1 LEU 38 6.383 10.128 0.032 273 HG LEU 38 HG LEU 38 7.640 8.961 2.504 274 HD11 LEU 38 HD11 LEU 38 7.433 7.572 -0.182 275 HD12 LEU 38 HD12 LEU 38 6.835 6.977 1.366 276 HD13 LEU 38 HD13 LEU 38 8.570 7.108 1.083 277 HD21 LEU 38 HD21 LEU 38 9.656 9.082 0.807 278 HD22 LEU 38 HD22 LEU 38 9.059 10.566 1.532 279 HD23 LEU 38 HD23 LEU 38 8.588 10.139 -0.108 280 H VAL 39 HN VAL 39 6.389 12.461 0.236 281 HA VAL 39 HA VAL 39 8.950 13.421 1.217 282 HB VAL 39 HB VAL 39 7.048 14.283 -0.969 283 HG11 VAL 39 HG11 VAL 39 9.628 15.573 -0.136 284 HG12 VAL 39 HG12 VAL 39 8.050 16.337 -0.327 285 HG13 VAL 39 HG13 VAL 39 8.924 15.764 -1.740 286 HG21 VAL 39 HG21 VAL 39 8.227 12.294 -1.526 287 HG22 VAL 39 HG22 VAL 39 9.729 12.928 -0.888 288 HG23 VAL 39 HG23 VAL 39 9.049 13.598 -2.369 289 H CYS 40 HN CYS 40 5.853 15.094 0.709 290 HA CYS 40 HA CYS 40 6.550 17.428 2.202 291 HB2 CYS 40 HB2 CYS 40 3.805 16.339 1.616 292 HB3 CYS 40 HB1 CYS 40 4.241 18.021 1.850 293 H GLY 41 HN GLY 41 4.467 14.644 3.085 294 HA2 GLY 41 HA2 GLY 41 3.856 13.857 5.205 295 HA3 GLY 41 HA1 GLY 41 5.222 14.757 5.854 296 H GLU 42 HN GLU 42 4.643 16.309 7.270 297 HA GLU 42 HA GLU 42 1.917 17.014 7.757 298 HB2 GLU 42 HB2 GLU 42 3.563 17.140 9.532 299 HB3 GLU 42 HB1 GLU 42 4.490 18.344 8.637 300 HG2 GLU 42 HG2 GLU 42 2.805 19.999 8.902 301 HG3 GLU 42 HG1 GLU 42 1.604 18.809 9.405 302 H ARG 43 HN ARG 43 4.503 18.789 6.045 303 HA ARG 43 HA ARG 43 3.224 21.239 5.712 304 HB2 ARG 43 HB2 ARG 43 4.610 20.008 3.335 305 HB3 ARG 43 HB1 ARG 43 4.668 21.668 3.926 306 HG2 ARG 43 HG2 ARG 43 5.855 20.791 5.972 307 HG3 ARG 43 HG1 ARG 43 5.985 19.244 5.137 308 HD2 ARG 43 HD2 ARG 43 6.859 21.450 3.407 309 HD3 ARG 43 HD1 ARG 43 7.770 21.379 4.896 310 HE ARG 43 HE ARG 43 7.613 18.734 3.948 311 HH11 ARG 43 HH21 ARG 43 8.755 21.811 2.892 312 HH12 ARG 43 HH22 ARG 43 9.986 21.150 1.869 313 HH21 ARG 43 HH11 ARG 43 9.214 17.854 2.618 314 HH22 ARG 43 HH12 ARG 43 10.246 18.911 1.714 315 H GLY 44 HN GLY 44 2.147 18.188 4.498 316 HA2 GLY 44 HA2 GLY 44 0.193 17.724 3.236 317 HA3 GLY 44 HA1 GLY 44 -0.211 19.444 3.335 318 H PHE 45 HN PHE 45 -0.733 18.821 0.865 319 HA PHE 45 HA PHE 45 1.451 19.979 -0.670 320 HB2 PHE 45 HB2 PHE 45 1.731 17.893 -2.108 321 HB3 PHE 45 HB1 PHE 45 2.428 17.833 -0.502 322 HD1 PHE 45 HD1 PHE 45 -0.387 16.704 -2.581 323 HD2 PHE 45 HD2 PHE 45 1.566 16.403 1.205 324 HE1 PHE 45 HE1 PHE 45 -1.752 14.695 -2.038 325 HE2 PHE 45 HE2 PHE 45 0.220 14.398 1.760 326 HZ PHE 45 HZ PHE 45 -1.434 13.546 0.141 327 H 23F 46 HN 23F 46 0.852 19.927 -3.256 328 HB 23F 46 HB 23F 46 -2.180 21.385 -5.210 329 HD1 23F 46 HD1 23F 46 0.995 21.770 -2.847 330 HD2 23F 46 HD2 23F 46 -1.897 23.746 -5.556 331 HE1 23F 46 HE1 23F 46 2.222 23.934 -2.619 332 HE2 23F 46 HE2 23F 46 -0.660 25.836 -5.294 333 HZ 23F 46 HZ 23F 46 1.405 25.990 -3.838 334 H TYR 47 HN TYR 47 -3.420 19.062 -3.014 335 HA TYR 47 HA TYR 47 -4.280 17.549 -5.269 336 HB2 TYR 47 HB2 TYR 47 -2.246 16.182 -3.726 337 HB3 TYR 47 HB1 TYR 47 -3.753 15.340 -3.468 338 HD1 TYR 47 HD2 TYR 47 -5.202 15.017 -5.687 339 HD2 TYR 47 HD1 TYR 47 -0.928 15.540 -5.584 340 HE1 TYR 47 HE2 TYR 47 -5.010 13.914 -7.900 341 HE2 TYR 47 HE1 TYR 47 -0.748 14.424 -7.786 342 HH TYR 47 HH TYR 47 -3.375 12.746 -9.231 343 H THR 48 HN THR 48 -4.371 16.296 -1.948 344 HA THR 48 HA THR 48 -6.258 15.907 -0.592 345 HB THR 48 HB THR 48 -7.065 18.738 -1.251 346 HG1 THR 48 HG1 THR 48 -4.624 18.149 -0.935 347 HG21 THR 48 HG21 THR 48 -8.138 17.190 0.545 348 HG22 THR 48 HG22 THR 48 -7.700 18.832 1.015 349 HG23 THR 48 HG23 THR 48 -6.658 17.480 1.457 350 H LYS 49 HN LYS 49 -8.742 17.679 -1.083 351 HA LYS 49 HA LYS 49 -10.848 17.238 -2.048 352 HB2 LYS 49 HB2 LYS 49 -9.218 16.852 -4.558 353 HB3 LYS 49 HB1 LYS 49 -10.882 17.417 -4.423 354 HG2 LYS 49 HG2 LYS 49 -10.047 19.402 -3.131 355 HG3 LYS 49 HG1 LYS 49 -8.401 18.872 -3.474 356 HD2 LYS 49 HD2 LYS 49 -8.795 19.066 -5.875 357 HD3 LYS 49 HD1 LYS 49 -10.484 19.486 -5.589 358 HE2 LYS 49 HE2 LYS 49 -8.050 21.099 -4.778 359 HE3 LYS 49 HE1 LYS 49 -9.257 21.538 -5.986 360 HZ1 LYS 49 HZ1 LYS 49 -10.793 21.098 -3.848 361 HZ2 LYS 49 HZ2 LYS 49 -10.179 22.624 -4.272 362 HZ3 LYS 49 HZ3 LYS 49 -9.391 21.686 -3.096 363 HA PRO 50 HA PRO 50 -9.931 12.683 -1.924 364 HB2 PRO 50 HB2 PRO 50 -12.363 12.650 -0.248 365 HB3 PRO 50 HB1 PRO 50 -10.763 11.982 0.103 366 HG2 PRO 50 HG2 PRO 50 -11.792 14.271 1.295 367 HG3 PRO 50 HG1 PRO 50 -10.064 13.908 1.150 368 HD2 PRO 50 HD2 PRO 50 -11.677 15.889 -0.358 369 HD3 PRO 50 HD1 PRO 50 -9.928 15.832 -0.102 370 H THR 51 HN THR 51 -13.196 14.125 -1.918 371 HA THR 51 HA THR 51 -13.787 12.715 -4.488 372 HB THR 51 HB THR 51 -15.992 12.057 -3.650 373 HG1 THR 51 HG1 THR 51 -16.484 12.414 -1.469 374 HG21 THR 51 HG21 THR 51 -15.277 10.374 -1.984 375 HG22 THR 51 HG22 THR 51 -13.752 11.236 -1.780 376 HG23 THR 51 HG23 THR 51 -14.137 10.480 -3.325 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 2.175 22.115 -13.817 2 H2 GLY 1 HT2 GLY 1 0.927 21.313 -14.645 3 H3 GLY 1 HT3 GLY 1 2.500 20.672 -14.649 4 HA2 GLY 1 HA2 GLY 1 1.085 21.147 -12.021 5 HA3 GLY 1 HA1 GLY 1 0.834 19.680 -13.006 6 H ILE 2 HN ILE 2 1.951 19.510 -10.500 7 HA ILE 2 HA ILE 2 4.336 18.079 -10.904 8 HB ILE 2 HB ILE 2 3.470 18.535 -8.673 9 HG12 ILE 2 HG12 ILE 2 3.621 15.541 -9.205 10 HG13 ILE 2 HG11 ILE 2 4.985 16.604 -8.933 11 HG21 ILE 2 HG21 ILE 2 1.184 16.763 -9.553 12 HG22 ILE 2 HG22 ILE 2 1.120 18.395 -8.903 13 HG23 ILE 2 HG23 ILE 2 1.519 17.049 -7.849 14 HD11 ILE 2 HD11 ILE 2 2.945 15.617 -7.014 15 HD12 ILE 2 HD12 ILE 2 3.654 17.202 -6.740 16 HD13 ILE 2 HD13 ILE 2 4.687 15.777 -6.807 17 H VAL 3 HN VAL 3 1.089 17.229 -11.830 18 HA VAL 3 HA VAL 3 1.508 14.397 -12.034 19 HB VAL 3 HB VAL 3 -0.435 16.217 -13.481 20 HG11 VAL 3 HG11 VAL 3 -0.237 14.099 -14.661 21 HG12 VAL 3 HG12 VAL 3 -1.744 14.099 -13.747 22 HG13 VAL 3 HG13 VAL 3 -0.349 13.208 -13.144 23 HG21 VAL 3 HG21 VAL 3 -1.995 15.324 -11.718 24 HG22 VAL 3 HG22 VAL 3 -0.694 16.321 -11.066 25 HG23 VAL 3 HG23 VAL 3 -0.605 14.564 -10.943 26 H GLU 4 HN GLU 4 1.625 16.961 -14.549 27 HA GLU 4 HA GLU 4 2.264 15.357 -16.758 28 HB2 GLU 4 HB2 GLU 4 1.891 17.713 -17.056 29 HB3 GLU 4 HB1 GLU 4 3.254 18.121 -16.017 30 HG2 GLU 4 HG2 GLU 4 4.844 17.507 -17.621 31 HG3 GLU 4 HG1 GLU 4 3.726 16.448 -18.478 32 H GLN 5 HN GLN 5 4.749 17.061 -14.806 33 HA GLN 5 HA GLN 5 6.900 15.680 -16.013 34 HB2 GLN 5 HB2 GLN 5 6.828 16.894 -13.238 35 HB3 GLN 5 HB1 GLN 5 8.274 16.537 -14.180 36 HG2 GLN 5 HG2 GLN 5 7.935 18.827 -14.597 37 HG3 GLN 5 HG1 GLN 5 7.197 18.060 -15.999 38 HE21 GLN 5 HE21 GLN 5 5.883 18.346 -12.672 39 HE22 GLN 5 HE22 GLN 5 4.498 19.216 -13.128 40 H CYS 6 HN CYS 6 5.115 14.898 -13.033 41 HA CYS 6 HA CYS 6 6.873 12.612 -12.465 42 HB2 CYS 6 HB2 CYS 6 4.263 13.241 -11.111 43 HB3 CYS 6 HB1 CYS 6 5.682 12.457 -10.416 44 H CYS 7 HN CYS 7 3.447 12.976 -13.467 45 HA CYS 7 HA CYS 7 3.163 10.061 -13.637 46 HB2 CYS 7 HB2 CYS 7 1.285 11.557 -12.966 47 HB3 CYS 7 HB1 CYS 7 1.268 12.224 -14.593 48 H THR 8 HN THR 8 3.034 12.712 -16.075 49 HA THR 8 HA THR 8 3.013 10.844 -18.284 50 HB THR 8 HB THR 8 4.018 13.683 -18.509 51 HG1 THR 8 HG1 THR 8 2.044 13.410 -17.163 52 HG21 THR 8 HG21 THR 8 2.118 12.162 -20.282 53 HG22 THR 8 HG22 THR 8 3.869 12.034 -20.458 54 HG23 THR 8 HG23 THR 8 3.071 13.593 -20.673 55 H SER 9 HN SER 9 5.493 12.453 -16.430 56 HA SER 9 HA SER 9 7.587 10.859 -17.862 57 HB2 SER 9 HB2 SER 9 7.739 13.748 -16.974 58 HB3 SER 9 HB1 SER 9 9.130 12.810 -17.479 59 HG SER 9 HG SER 9 6.893 13.658 -18.972 60 H ILE 10 HN ILE 10 9.650 10.874 -16.320 61 HA ILE 10 HA ILE 10 8.625 10.089 -13.659 62 HB ILE 10 HB ILE 10 11.473 9.980 -14.704 63 HG12 ILE 10 HG12 ILE 10 9.125 8.081 -14.900 64 HG13 ILE 10 HG11 ILE 10 10.279 8.543 -16.148 65 HG21 ILE 10 HG21 ILE 10 10.182 8.416 -12.447 66 HG22 ILE 10 HG22 ILE 10 11.052 9.923 -12.174 67 HG23 ILE 10 HG23 ILE 10 11.897 8.529 -12.833 68 HD11 ILE 10 HD11 ILE 10 11.023 6.399 -15.629 69 HD12 ILE 10 HD12 ILE 10 10.576 6.544 -13.930 70 HD13 ILE 10 HD13 ILE 10 12.019 7.359 -14.533 71 H CYS 11 HN CYS 11 8.958 11.228 -11.808 72 HA CYS 11 HA CYS 11 10.208 13.930 -12.067 73 HB2 CYS 11 HB2 CYS 11 8.008 12.752 -10.445 74 HB3 CYS 11 HB1 CYS 11 8.990 13.955 -9.621 75 H SER 12 HN SER 12 10.867 14.548 -9.607 76 HA SER 12 HA SER 12 12.580 12.406 -8.464 77 HB2 SER 12 HB2 SER 12 13.831 15.089 -8.497 78 HB3 SER 12 HB1 SER 12 14.551 13.517 -8.828 79 HG SER 12 HG SER 12 13.231 13.678 -10.855 80 H LEU 13 HN LEU 13 13.127 12.872 -6.269 81 HA LEU 13 HA LEU 13 11.108 13.630 -4.545 82 HB2 LEU 13 HB2 LEU 13 13.102 12.570 -3.733 83 HB3 LEU 13 HB1 LEU 13 14.115 13.884 -4.311 84 HG LEU 13 HG LEU 13 13.273 15.381 -2.640 85 HD11 LEU 13 HD11 LEU 13 11.511 14.427 -0.994 86 HD12 LEU 13 HD12 LEU 13 11.209 13.216 -2.239 87 HD13 LEU 13 HD13 LEU 13 10.945 14.920 -2.588 88 HD21 LEU 13 HD21 LEU 13 13.635 12.649 -1.389 89 HD22 LEU 13 HD22 LEU 13 13.860 14.201 -0.581 90 HD23 LEU 13 HD23 LEU 13 14.945 13.721 -1.886 91 H TYR 14 HN TYR 14 13.858 15.638 -5.363 92 HA TYR 14 HA TYR 14 13.137 18.069 -4.228 93 HB2 TYR 14 HB2 TYR 14 14.320 18.025 -6.989 94 HB3 TYR 14 HB1 TYR 14 14.747 19.041 -5.616 95 HD1 TYR 14 HD1 TYR 14 15.631 17.770 -3.467 96 HD2 TYR 14 HD2 TYR 14 15.606 16.155 -7.423 97 HE1 TYR 14 HE1 TYR 14 17.369 16.126 -2.804 98 HE2 TYR 14 HE2 TYR 14 17.333 14.509 -6.783 99 HH TYR 14 HH TYR 14 18.416 13.573 -5.021 100 H GLN 15 HN GLN 15 12.196 16.816 -7.403 101 HA GLN 15 HA GLN 15 10.549 19.089 -8.083 102 HB2 GLN 15 HB2 GLN 15 10.521 16.211 -9.020 103 HB3 GLN 15 HB1 GLN 15 9.422 17.431 -9.651 104 HG2 GLN 15 HG2 GLN 15 11.464 18.827 -10.200 105 HG3 GLN 15 HG1 GLN 15 12.440 17.413 -9.816 106 HE21 GLN 15 HE21 GLN 15 9.353 17.860 -11.559 107 HE22 GLN 15 HE22 GLN 15 9.844 17.028 -12.948 108 H LEU 16 HN LEU 16 10.071 16.157 -6.190 109 HA LEU 16 HA LEU 16 7.202 16.584 -5.936 110 HB2 LEU 16 HB2 LEU 16 9.158 14.675 -4.868 111 HB3 LEU 16 HB1 LEU 16 7.910 15.076 -3.709 112 HG LEU 16 HG LEU 16 6.204 14.539 -5.474 113 HD11 LEU 16 HD11 LEU 16 8.579 13.347 -6.904 114 HD12 LEU 16 HD12 LEU 16 7.786 14.848 -7.383 115 HD13 LEU 16 HD13 LEU 16 6.898 13.325 -7.435 116 HD21 LEU 16 HD21 LEU 16 6.464 12.829 -3.906 117 HD22 LEU 16 HD22 LEU 16 8.140 12.520 -4.363 118 HD23 LEU 16 HD23 LEU 16 6.829 11.989 -5.412 119 H GLU 17 HN GLU 17 10.067 17.473 -4.163 120 HA GLU 17 HA GLU 17 8.806 18.446 -1.838 121 HB2 GLU 17 HB2 GLU 17 11.356 19.341 -3.175 122 HB3 GLU 17 HB1 GLU 17 10.860 19.734 -1.544 123 HG2 GLU 17 HG2 GLU 17 10.662 17.094 -1.312 124 HG3 GLU 17 HG1 GLU 17 11.790 17.109 -2.644 125 H ASN 18 HN ASN 18 9.570 19.914 -4.882 126 HA ASN 18 HA ASN 18 9.171 22.624 -4.405 127 HB2 ASN 18 HB2 ASN 18 8.829 20.786 -6.703 128 HB3 ASN 18 HB1 ASN 18 7.926 22.280 -6.844 129 HD21 ASN 18 HD21 ASN 18 10.828 20.965 -7.702 130 HD22 ASN 18 HD22 ASN 18 11.794 22.360 -7.720 131 H TYR 19 HN TYR 19 6.775 20.137 -4.830 132 HA TYR 19 HA TYR 19 4.539 22.027 -4.732 133 HB2 TYR 19 HB2 TYR 19 4.484 19.017 -4.699 134 HB3 TYR 19 HB1 TYR 19 3.195 20.098 -5.204 135 HD1 TYR 19 HD1 TYR 19 4.052 21.930 -7.001 136 HD2 TYR 19 HD2 TYR 19 5.729 18.056 -6.422 137 HE1 TYR 19 HE1 TYR 19 4.985 22.017 -9.294 138 HE2 TYR 19 HE2 TYR 19 6.705 18.127 -8.714 139 HH TYR 19 HH TYR 19 6.976 19.338 -10.550 140 H CYS 20 HN CYS 20 6.390 20.814 -2.212 141 HA CYS 20 HA CYS 20 4.187 20.012 -0.491 142 HB2 CYS 20 HB2 CYS 20 6.893 20.994 0.347 143 HB3 CYS 20 HB1 CYS 20 5.765 20.106 1.290 144 H ASN 21 HN ASN 21 2.865 21.922 -1.083 145 HA ASN 21 HA ASN 21 1.917 24.002 -0.574 146 HB2 ASN 21 HB2 ASN 21 1.703 22.958 1.621 147 HB3 ASN 21 HB1 ASN 21 3.356 23.406 2.026 148 HD21 ASN 21 HD21 ASN 21 3.166 25.059 3.567 149 HD22 ASN 21 HD22 ASN 21 2.178 26.428 3.393 150 H1 PHE 22 HT1 PHE 22 15.889 9.308 -3.693 151 H2 PHE 22 HT2 PHE 22 15.964 7.611 -3.700 152 H3 PHE 22 HT3 PHE 22 15.629 8.443 -2.257 153 HA PHE 22 HA PHE 22 13.491 8.140 -2.683 154 HB2 PHE 22 HB2 PHE 22 14.133 10.519 -3.636 155 HB3 PHE 22 HB1 PHE 22 13.748 9.796 -5.194 156 HD1 PHE 22 HD1 PHE 22 12.361 10.109 -1.725 157 HD2 PHE 22 HD2 PHE 22 11.503 9.825 -5.925 158 HE1 PHE 22 HE1 PHE 22 9.955 10.431 -1.255 159 HE2 PHE 22 HE2 PHE 22 9.088 10.147 -5.452 160 HZ PHE 22 HZ PHE 22 8.309 10.452 -3.113 161 H VAL 23 HN VAL 23 12.610 8.440 -5.729 162 HA VAL 23 HA VAL 23 13.562 5.830 -6.747 163 HB VAL 23 HB VAL 23 11.676 5.181 -5.384 164 HG11 VAL 23 HG11 VAL 23 10.163 7.296 -6.932 165 HG12 VAL 23 HG12 VAL 23 10.652 7.413 -5.241 166 HG13 VAL 23 HG13 VAL 23 9.468 6.204 -5.736 167 HG21 VAL 23 HG21 VAL 23 10.589 5.334 -8.203 168 HG22 VAL 23 HG22 VAL 23 10.393 4.041 -7.021 169 HG23 VAL 23 HG23 VAL 23 11.954 4.291 -7.801 170 H ASN 24 HN ASN 24 12.698 5.442 -8.974 171 HA ASN 24 HA ASN 24 12.115 8.002 -10.432 172 HB2 ASN 24 HB2 ASN 24 13.994 5.723 -11.081 173 HB3 ASN 24 HB1 ASN 24 13.377 6.787 -12.342 174 HD21 ASN 24 HD21 ASN 24 13.444 9.295 -11.255 175 HD22 ASN 24 HD22 ASN 24 15.010 9.704 -10.742 176 H GLN 25 HN GLN 25 9.866 7.066 -9.883 177 HA GLN 25 HA GLN 25 9.049 5.041 -11.947 178 HB2 GLN 25 HB2 GLN 25 8.269 5.510 -9.093 179 HB3 GLN 25 HB1 GLN 25 7.005 4.948 -10.173 180 HG2 GLN 25 HG2 GLN 25 8.502 3.051 -10.852 181 HG3 GLN 25 HG1 GLN 25 9.671 3.595 -9.648 182 HE21 GLN 25 HE21 GLN 25 6.723 4.349 -8.333 183 HE22 GLN 25 HE22 GLN 25 6.438 2.932 -7.443 184 H HIS 26 HN HIS 26 6.731 5.323 -12.604 185 HA HIS 26 HA HIS 26 6.214 8.165 -13.265 186 HB2 HIS 26 HB2 HIS 26 5.176 5.500 -14.228 187 HB3 HIS 26 HB1 HIS 26 4.209 6.944 -14.509 188 HD2 HIS 26 HD2 HIS 26 7.822 5.613 -15.496 189 HE1 HIS 26 HE1 HIS 26 6.724 8.714 -18.145 190 HE2 HIS 26 HE2 HIS 26 8.481 6.951 -17.626 191 H LEU 27 HN LEU 27 5.534 8.954 -11.235 192 HA LEU 27 HA LEU 27 3.435 7.560 -9.744 193 HB2 LEU 27 HB2 LEU 27 4.391 10.386 -9.242 194 HB3 LEU 27 HB1 LEU 27 3.687 9.232 -8.122 195 HG LEU 27 HG LEU 27 6.328 8.671 -9.465 196 HD11 LEU 27 HD11 LEU 27 7.385 9.516 -7.380 197 HD12 LEU 27 HD12 LEU 27 5.810 10.099 -6.841 198 HD13 LEU 27 HD13 LEU 27 6.565 10.796 -8.274 199 HD21 LEU 27 HD21 LEU 27 6.595 7.223 -7.455 200 HD22 LEU 27 HD22 LEU 27 5.183 6.771 -8.409 201 HD23 LEU 27 HD23 LEU 27 4.982 7.698 -6.923 202 H CYS 28 HN CYS 28 1.268 8.100 -9.678 203 HA CYS 28 HA CYS 28 0.380 10.563 -11.101 204 HB2 CYS 28 HB2 CYS 28 -0.847 7.837 -11.591 205 HB3 CYS 28 HB1 CYS 28 -1.290 9.356 -12.372 206 H GLY 29 HN GLY 29 -0.965 11.633 -9.839 207 HA2 GLY 29 HA2 GLY 29 -2.257 12.104 -7.928 208 HA3 GLY 29 HA1 GLY 29 -3.292 10.886 -8.650 209 H SER 30 HN SER 30 -3.670 9.077 -7.473 210 HA SER 30 HA SER 30 -3.145 8.727 -4.827 211 HB2 SER 30 HB2 SER 30 -3.188 6.518 -6.895 212 HB3 SER 30 HB1 SER 30 -3.380 6.275 -5.161 213 HG SER 30 HG SER 30 -5.170 7.804 -5.340 214 H ASP 31 HN ASP 31 -1.034 7.166 -7.287 215 HA ASP 31 HA ASP 31 0.908 6.380 -5.320 216 HB2 ASP 31 HB2 ASP 31 1.608 6.828 -8.221 217 HB3 ASP 31 HB1 ASP 31 2.173 5.570 -7.124 218 H LEU 32 HN LEU 32 0.419 9.303 -7.144 219 HA LEU 32 HA LEU 32 3.078 10.389 -6.515 220 HB2 LEU 32 HB2 LEU 32 2.120 11.017 -8.619 221 HB3 LEU 32 HB1 LEU 32 0.593 11.447 -7.864 222 HG LEU 32 HG LEU 32 1.618 13.373 -6.772 223 HD11 LEU 32 HD11 LEU 32 3.828 13.037 -6.243 224 HD12 LEU 32 HD12 LEU 32 4.114 13.771 -7.813 225 HD13 LEU 32 HD13 LEU 32 4.140 12.034 -7.654 226 HD21 LEU 32 HD21 LEU 32 0.908 13.210 -9.357 227 HD22 LEU 32 HD22 LEU 32 2.614 13.538 -9.600 228 HD23 LEU 32 HD23 LEU 32 1.622 14.671 -8.696 229 H VAL 33 HN VAL 33 -0.213 11.469 -5.794 230 HA VAL 33 HA VAL 33 0.217 13.365 -3.865 231 HB VAL 33 HB VAL 33 -1.813 11.124 -3.968 232 HG11 VAL 33 HG11 VAL 33 -2.015 11.590 -1.708 233 HG12 VAL 33 HG12 VAL 33 -3.041 12.876 -2.342 234 HG13 VAL 33 HG13 VAL 33 -1.378 13.220 -1.879 235 HG21 VAL 33 HG21 VAL 33 -2.129 14.091 -4.434 236 HG22 VAL 33 HG22 VAL 33 -3.266 12.810 -4.852 237 HG23 VAL 33 HG23 VAL 33 -1.736 12.951 -5.720 238 H GLU 34 HN GLU 34 -0.154 9.890 -3.172 239 HA GLU 34 HA GLU 34 0.628 10.016 -0.454 240 HB2 GLU 34 HB2 GLU 34 0.951 7.651 -0.542 241 HB3 GLU 34 HB1 GLU 34 -0.317 7.986 -1.716 242 HG2 GLU 34 HG2 GLU 34 1.425 8.024 -3.498 243 HG3 GLU 34 HG1 GLU 34 2.610 7.521 -2.300 244 H ALA 35 HN ALA 35 2.527 9.903 -3.416 245 HA ALA 35 HA ALA 35 5.114 9.605 -2.195 246 HB1 ALA 35 HB1 ALA 35 4.753 11.327 -4.652 247 HB2 ALA 35 HB2 ALA 35 4.397 9.609 -4.765 248 HB3 ALA 35 HB3 ALA 35 6.003 10.136 -4.297 249 H LEU 36 HN LEU 36 2.976 12.395 -2.771 250 HA LEU 36 HA LEU 36 4.976 14.269 -1.853 251 HB2 LEU 36 HB2 LEU 36 2.011 14.458 -2.249 252 HB3 LEU 36 HB1 LEU 36 2.981 15.812 -1.671 253 HG LEU 36 HG LEU 36 3.679 14.302 -4.211 254 HD11 LEU 36 HD11 LEU 36 1.446 16.130 -3.742 255 HD12 LEU 36 HD12 LEU 36 1.810 15.120 -5.127 256 HD13 LEU 36 HD13 LEU 36 2.526 16.715 -4.985 257 HD21 LEU 36 HD21 LEU 36 4.551 16.916 -2.927 258 HD22 LEU 36 HD22 LEU 36 4.702 16.686 -4.664 259 HD23 LEU 36 HD23 LEU 36 5.552 15.615 -3.563 260 H TYR 37 HN TYR 37 1.925 13.098 -0.382 261 HA TYR 37 HA TYR 37 2.193 14.143 2.192 262 HB2 TYR 37 HB2 TYR 37 0.264 12.774 1.457 263 HB3 TYR 37 HB1 TYR 37 1.290 11.336 1.476 264 HD1 TYR 37 HD2 TYR 37 2.289 10.541 3.614 265 HD2 TYR 37 HD1 TYR 37 -0.577 13.721 3.472 266 HE1 TYR 37 HE2 TYR 37 1.898 10.288 6.052 267 HE2 TYR 37 HE1 TYR 37 -0.968 13.485 5.906 268 HH TYR 37 HH TYR 37 -0.698 11.485 7.626 269 H LEU 38 HN LEU 38 3.941 11.555 0.665 270 HA LEU 38 HA LEU 38 5.271 10.608 3.065 271 HB2 LEU 38 HB2 LEU 38 4.890 9.195 1.088 272 HB3 LEU 38 HB1 LEU 38 5.863 10.263 0.104 273 HG LEU 38 HG LEU 38 7.032 9.047 2.598 274 HD11 LEU 38 HD11 LEU 38 6.610 7.680 -0.062 275 HD12 LEU 38 HD12 LEU 38 6.217 7.080 1.549 276 HD13 LEU 38 HD13 LEU 38 7.901 7.194 1.037 277 HD21 LEU 38 HD21 LEU 38 8.622 10.493 1.715 278 HD22 LEU 38 HD22 LEU 38 8.065 10.285 0.060 279 HD23 LEU 38 HD23 LEU 38 9.046 9.041 0.822 280 H VAL 39 HN VAL 39 6.092 12.630 0.278 281 HA VAL 39 HA VAL 39 8.735 13.357 1.260 282 HB VAL 39 HB VAL 39 6.941 14.348 -0.961 283 HG11 VAL 39 HG11 VAL 39 9.610 15.428 -0.112 284 HG12 VAL 39 HG12 VAL 39 8.106 16.319 -0.343 285 HG13 VAL 39 HG13 VAL 39 8.950 15.649 -1.730 286 HG21 VAL 39 HG21 VAL 39 8.890 13.470 -2.327 287 HG22 VAL 39 HG22 VAL 39 7.948 12.256 -1.476 288 HG23 VAL 39 HG23 VAL 39 9.493 12.767 -0.830 289 H CYS 40 HN CYS 40 5.808 15.300 0.691 290 HA CYS 40 HA CYS 40 6.702 17.583 2.160 291 HB2 CYS 40 HB2 CYS 40 3.878 16.741 1.535 292 HB3 CYS 40 HB1 CYS 40 4.455 18.377 1.777 293 H GLY 41 HN GLY 41 4.370 15.008 3.051 294 HA2 GLY 41 HA2 GLY 41 3.654 14.313 5.169 295 HA3 GLY 41 HA1 GLY 41 5.104 15.067 5.821 296 H GLU 42 HN GLU 42 4.680 16.663 7.235 297 HA GLU 42 HA GLU 42 2.051 17.654 7.721 298 HB2 GLU 42 HB2 GLU 42 3.716 17.627 9.483 299 HB3 GLU 42 HB1 GLU 42 4.750 18.727 8.571 300 HG2 GLU 42 HG2 GLU 42 3.241 20.543 8.837 301 HG3 GLU 42 HG1 GLU 42 1.930 19.482 9.354 302 H ARG 43 HN ARG 43 4.800 19.170 6.011 303 HA ARG 43 HA ARG 43 3.771 21.725 5.648 304 HB2 ARG 43 HB2 ARG 43 5.015 20.331 3.282 305 HB3 ARG 43 HB1 ARG 43 5.239 21.986 3.848 306 HG2 ARG 43 HG2 ARG 43 6.347 21.031 5.900 307 HG3 ARG 43 HG1 ARG 43 6.317 19.464 5.095 308 HD2 ARG 43 HD2 ARG 43 7.397 21.565 3.337 309 HD3 ARG 43 HD1 ARG 43 8.314 21.381 4.812 310 HE ARG 43 HE ARG 43 7.871 18.777 3.873 311 HH11 ARG 43 HH21 ARG 43 9.270 21.721 2.753 312 HH12 ARG 43 HH22 ARG 43 10.398 20.939 1.696 313 HH21 ARG 43 HH11 ARG 43 9.336 17.737 2.498 314 HH22 ARG 43 HH12 ARG 43 10.435 18.684 1.552 315 H GLY 44 HN GLY 44 2.426 18.778 4.412 316 HA2 GLY 44 HA2 GLY 44 0.408 18.511 3.190 317 HA3 GLY 44 HA1 GLY 44 0.192 20.266 3.258 318 H PHE 45 HN PHE 45 -0.401 19.563 0.798 319 HA PHE 45 HA PHE 45 1.862 20.517 -0.767 320 HB2 PHE 45 HB2 PHE 45 1.984 18.395 -2.157 321 HB3 PHE 45 HB1 PHE 45 2.655 18.298 -0.542 322 HD1 PHE 45 HD1 PHE 45 -0.197 17.361 -2.656 323 HD2 PHE 45 HD2 PHE 45 1.635 16.988 1.182 324 HE1 PHE 45 HE1 PHE 45 -1.729 15.478 -2.109 325 HE2 PHE 45 HE2 PHE 45 0.122 15.108 1.738 326 HZ PHE 45 HZ PHE 45 -1.555 14.351 0.094 327 H 23F 46 HN 23F 46 1.251 20.426 -3.357 328 HB 23F 46 HB 23F 46 -1.666 22.117 -5.308 329 HD1 23F 46 HD1 23F 46 1.547 22.274 -2.965 330 HD2 23F 46 HD2 23F 46 -1.197 24.443 -5.678 331 HE1 23F 46 HE1 23F 46 2.946 24.338 -2.765 332 HE2 23F 46 HE2 23F 46 0.204 26.431 -5.447 333 HZ 23F 46 HZ 23F 46 2.284 26.438 -4.005 334 H TYR 47 HN TYR 47 -3.048 19.892 -3.048 335 HA TYR 47 HA TYR 47 -4.104 18.459 -5.254 336 HB2 TYR 47 HB2 TYR 47 -2.061 16.935 -3.847 337 HB3 TYR 47 HB1 TYR 47 -3.603 16.160 -3.589 338 HD1 TYR 47 HD2 TYR 47 -5.122 16.142 -5.848 339 HD2 TYR 47 HD1 TYR 47 -0.817 16.189 -5.704 340 HE1 TYR 47 HE2 TYR 47 -5.031 15.129 -8.108 341 HE2 TYR 47 HE1 TYR 47 -0.741 15.158 -7.952 342 HH TYR 47 HH TYR 47 -2.096 14.909 -9.908 343 H THR 48 HN THR 48 -6.252 18.105 -4.803 344 HA THR 48 HA THR 48 -7.204 18.800 -2.113 345 HB THR 48 HB THR 48 -8.393 19.572 -4.163 346 HG1 THR 48 HG1 THR 48 -9.417 18.443 -2.003 347 HG21 THR 48 HG21 THR 48 -9.576 18.024 -5.563 348 HG22 THR 48 HG22 THR 48 -9.210 16.678 -4.485 349 HG23 THR 48 HG23 THR 48 -7.922 17.426 -5.429 350 H LYS 49 HN LYS 49 -9.001 17.298 -1.178 351 HA LYS 49 HA LYS 49 -7.911 14.858 -0.393 352 HB2 LYS 49 HB2 LYS 49 -10.886 15.156 -0.766 353 HB3 LYS 49 HB1 LYS 49 -10.023 14.323 0.523 354 HG2 LYS 49 HG2 LYS 49 -9.075 16.588 1.201 355 HG3 LYS 49 HG1 LYS 49 -10.242 17.310 0.095 356 HD2 LYS 49 HD2 LYS 49 -12.091 16.584 1.363 357 HD3 LYS 49 HD1 LYS 49 -11.150 15.366 2.221 358 HE2 LYS 49 HE2 LYS 49 -11.763 17.631 3.426 359 HE3 LYS 49 HE1 LYS 49 -10.158 16.931 3.639 360 HZ1 LYS 49 HZ1 LYS 49 -9.253 18.392 2.050 361 HZ2 LYS 49 HZ2 LYS 49 -10.223 19.354 3.060 362 HZ3 LYS 49 HZ3 LYS 49 -10.780 18.904 1.519 363 HA PRO 50 HA PRO 50 -8.143 12.154 -3.866 364 HB2 PRO 50 HB2 PRO 50 -9.556 10.089 -2.295 365 HB3 PRO 50 HB1 PRO 50 -7.982 9.993 -3.096 366 HG2 PRO 50 HG2 PRO 50 -8.364 10.236 -0.332 367 HG3 PRO 50 HG1 PRO 50 -6.865 10.617 -1.196 368 HD2 PRO 50 HD2 PRO 50 -8.762 12.473 0.057 369 HD3 PRO 50 HD1 PRO 50 -7.133 12.784 -0.564 370 H THR 51 HN THR 51 -11.071 11.283 -2.035 371 HA THR 51 HA THR 51 -12.779 12.552 -4.101 372 HB THR 51 HB THR 51 -12.731 9.593 -3.450 373 HG1 THR 51 HG1 THR 51 -12.226 9.405 -5.526 374 HG21 THR 51 HG21 THR 51 -14.916 11.297 -4.640 375 HG22 THR 51 HG22 THR 51 -15.038 10.075 -3.374 376 HG23 THR 51 HG23 THR 51 -14.765 9.587 -5.046 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 0.096 18.614 -14.851 2 H2 GLY 1 HT2 GLY 1 0.134 20.232 -14.335 3 H3 GLY 1 HT3 GLY 1 -1.348 19.408 -14.440 4 HA2 GLY 1 HA2 GLY 1 -0.500 19.742 -12.081 5 HA3 GLY 1 HA1 GLY 1 -0.696 18.044 -12.597 6 H ILE 2 HN ILE 2 0.586 18.180 -10.450 7 HA ILE 2 HA ILE 2 3.240 17.381 -10.945 8 HB ILE 2 HB ILE 2 2.418 17.702 -8.682 9 HG12 ILE 2 HG12 ILE 2 3.205 14.793 -9.123 10 HG13 ILE 2 HG11 ILE 2 4.313 16.146 -8.970 11 HG21 ILE 2 HG21 ILE 2 0.893 15.883 -7.691 12 HG22 ILE 2 HG22 ILE 2 0.568 15.410 -9.353 13 HG23 ILE 2 HG23 ILE 2 0.148 17.024 -8.802 14 HD11 ILE 2 HD11 ILE 2 2.983 16.527 -6.720 15 HD12 ILE 2 HD12 ILE 2 4.316 15.380 -6.801 16 HD13 ILE 2 HD13 ILE 2 2.652 14.811 -6.902 17 H VAL 3 HN VAL 3 0.240 15.610 -11.446 18 HA VAL 3 HA VAL 3 1.298 12.995 -11.672 19 HB VAL 3 HB VAL 3 -1.022 14.276 -13.142 20 HG11 VAL 3 HG11 VAL 3 -1.836 11.914 -13.296 21 HG12 VAL 3 HG12 VAL 3 -0.272 11.376 -12.692 22 HG13 VAL 3 HG13 VAL 3 -0.379 12.204 -14.245 23 HG21 VAL 3 HG21 VAL 3 -1.243 14.419 -10.717 24 HG22 VAL 3 HG22 VAL 3 -0.808 12.719 -10.546 25 HG23 VAL 3 HG23 VAL 3 -2.331 13.166 -11.316 26 H GLU 4 HN GLU 4 0.807 15.413 -14.282 27 HA GLU 4 HA GLU 4 1.735 13.880 -16.439 28 HB2 GLU 4 HB2 GLU 4 0.841 16.078 -16.828 29 HB3 GLU 4 HB1 GLU 4 2.105 16.828 -15.856 30 HG2 GLU 4 HG2 GLU 4 3.746 16.515 -17.490 31 HG3 GLU 4 HG1 GLU 4 2.895 15.169 -18.243 32 H GLN 5 HN GLN 5 3.808 16.186 -14.640 33 HA GLN 5 HA GLN 5 6.199 15.306 -15.839 34 HB2 GLN 5 HB2 GLN 5 5.828 16.536 -13.096 35 HB3 GLN 5 HB1 GLN 5 7.354 16.440 -13.973 36 HG2 GLN 5 HG2 GLN 5 6.578 18.605 -14.486 37 HG3 GLN 5 HG1 GLN 5 6.087 17.659 -15.888 38 HE21 GLN 5 HE21 GLN 5 4.613 17.900 -12.620 39 HE22 GLN 5 HE22 GLN 5 3.088 18.397 -13.175 40 H CYS 6 HN CYS 6 4.679 14.165 -12.826 41 HA CYS 6 HA CYS 6 6.918 12.338 -12.282 42 HB2 CYS 6 HB2 CYS 6 4.276 12.323 -10.862 43 HB3 CYS 6 HB1 CYS 6 5.869 11.978 -10.197 44 H CYS 7 HN CYS 7 3.469 11.932 -13.157 45 HA CYS 7 HA CYS 7 3.811 9.029 -13.330 46 HB2 CYS 7 HB2 CYS 7 1.698 10.145 -12.574 47 HB3 CYS 7 HB1 CYS 7 1.457 10.709 -14.224 48 H THR 8 HN THR 8 3.023 11.571 -15.764 49 HA THR 8 HA THR 8 3.321 9.705 -17.961 50 HB THR 8 HB THR 8 3.625 12.703 -18.203 51 HG1 THR 8 HG1 THR 8 1.452 11.186 -17.412 52 HG21 THR 8 HG21 THR 8 3.967 11.373 -20.223 53 HG22 THR 8 HG22 THR 8 2.460 12.283 -20.342 54 HG23 THR 8 HG23 THR 8 2.423 10.560 -19.967 55 H SER 9 HN SER 9 5.459 11.774 -16.167 56 HA SER 9 HA SER 9 7.789 10.693 -17.697 57 HB2 SER 9 HB2 SER 9 7.330 13.569 -16.873 58 HB3 SER 9 HB1 SER 9 8.870 12.948 -17.435 59 HG SER 9 HG SER 9 7.862 12.403 -19.393 60 H ILE 10 HN ILE 10 9.860 11.216 -16.253 61 HA ILE 10 HA ILE 10 9.148 10.303 -13.530 62 HB ILE 10 HB ILE 10 11.901 10.785 -14.715 63 HG12 ILE 10 HG12 ILE 10 10.039 8.395 -14.714 64 HG13 ILE 10 HG11 ILE 10 10.926 9.093 -16.066 65 HG21 ILE 10 HG21 ILE 10 12.717 9.517 -12.845 66 HG22 ILE 10 HG22 ILE 10 11.089 9.034 -12.374 67 HG23 ILE 10 HG23 ILE 10 11.610 10.703 -12.164 68 HD11 ILE 10 HD11 ILE 10 11.949 7.350 -13.834 69 HD12 ILE 10 HD12 ILE 10 13.053 8.413 -14.706 70 HD13 ILE 10 HD13 ILE 10 12.166 7.160 -15.573 71 H CYS 11 HN CYS 11 9.055 11.635 -11.811 72 HA CYS 11 HA CYS 11 9.706 14.499 -12.189 73 HB2 CYS 11 HB2 CYS 11 8.022 12.896 -10.330 74 HB3 CYS 11 HB1 CYS 11 8.737 14.344 -9.639 75 H SER 12 HN SER 12 10.390 15.380 -9.824 76 HA SER 12 HA SER 12 12.706 13.818 -8.804 77 HB2 SER 12 HB2 SER 12 13.458 16.576 -8.820 78 HB3 SER 12 HB1 SER 12 14.178 15.276 -9.760 79 HG SER 12 HG SER 12 11.779 16.554 -10.538 80 H LEU 13 HN LEU 13 13.182 14.363 -6.633 81 HA LEU 13 HA LEU 13 11.158 14.731 -4.808 82 HB2 LEU 13 HB2 LEU 13 13.381 14.158 -4.094 83 HB3 LEU 13 HB1 LEU 13 14.041 15.654 -4.740 84 HG LEU 13 HG LEU 13 12.965 16.962 -3.046 85 HD11 LEU 13 HD11 LEU 13 10.806 15.996 -2.864 86 HD12 LEU 13 HD12 LEU 13 11.543 15.682 -1.296 87 HD13 LEU 13 HD13 LEU 13 11.461 14.403 -2.507 88 HD21 LEU 13 HD21 LEU 13 15.000 15.753 -2.348 89 HD22 LEU 13 HD22 LEU 13 14.000 14.414 -1.786 90 HD23 LEU 13 HD23 LEU 13 13.890 15.988 -0.999 91 H TYR 14 HN TYR 14 13.353 17.278 -5.798 92 HA TYR 14 HA TYR 14 12.154 19.512 -4.652 93 HB2 TYR 14 HB2 TYR 14 13.199 19.669 -7.464 94 HB3 TYR 14 HB1 TYR 14 13.431 20.797 -6.132 95 HD1 TYR 14 HD1 TYR 14 14.649 19.807 -3.989 96 HD2 TYR 14 HD2 TYR 14 14.887 18.163 -7.924 97 HE1 TYR 14 HE1 TYR 14 16.744 18.628 -3.367 98 HE2 TYR 14 HE2 TYR 14 16.966 16.978 -7.328 99 HH TYR 14 HH TYR 14 18.120 16.181 -5.338 100 H GLN 15 HN GLN 15 11.385 18.009 -7.766 101 HA GLN 15 HA GLN 15 9.237 19.838 -8.390 102 HB2 GLN 15 HB2 GLN 15 9.810 17.006 -9.296 103 HB3 GLN 15 HB1 GLN 15 8.431 17.931 -9.875 104 HG2 GLN 15 HG2 GLN 15 10.078 19.740 -10.549 105 HG3 GLN 15 HG1 GLN 15 11.363 18.583 -10.216 106 HE21 GLN 15 HE21 GLN 15 8.158 18.299 -11.774 107 HE22 GLN 15 HE22 GLN 15 8.743 17.571 -13.184 108 H LEU 16 HN LEU 16 9.515 16.919 -6.434 109 HA LEU 16 HA LEU 16 6.638 16.706 -6.042 110 HB2 LEU 16 HB2 LEU 16 9.013 15.305 -5.039 111 HB3 LEU 16 HB1 LEU 16 7.759 15.454 -3.827 112 HG LEU 16 HG LEU 16 6.137 14.504 -5.488 113 HD11 LEU 16 HD11 LEU 16 8.690 14.121 -7.044 114 HD12 LEU 16 HD12 LEU 16 7.250 15.009 -7.546 115 HD13 LEU 16 HD13 LEU 16 7.195 13.253 -7.392 116 HD21 LEU 16 HD21 LEU 16 7.307 12.160 -5.429 117 HD22 LEU 16 HD22 LEU 16 6.859 12.936 -3.911 118 HD23 LEU 16 HD23 LEU 16 8.531 12.990 -4.471 119 H GLU 17 HN GLU 17 9.309 18.255 -4.428 120 HA GLU 17 HA GLU 17 7.968 18.986 -2.059 121 HB2 GLU 17 HB2 GLU 17 10.194 20.385 -3.533 122 HB3 GLU 17 HB1 GLU 17 9.697 20.702 -1.885 123 HG2 GLU 17 HG2 GLU 17 10.099 18.091 -1.603 124 HG3 GLU 17 HG1 GLU 17 11.134 18.318 -2.988 125 H ASN 18 HN ASN 18 8.249 20.503 -5.161 126 HA ASN 18 HA ASN 18 7.277 23.070 -4.709 127 HB2 ASN 18 HB2 ASN 18 7.255 21.140 -6.956 128 HB3 ASN 18 HB1 ASN 18 6.031 22.386 -7.077 129 HD21 ASN 18 HD21 ASN 18 9.078 21.751 -8.111 130 HD22 ASN 18 HD22 ASN 18 9.714 23.322 -8.179 131 H TYR 19 HN TYR 19 5.483 20.100 -4.969 132 HA TYR 19 HA TYR 19 2.886 21.450 -4.777 133 HB2 TYR 19 HB2 TYR 19 3.499 18.505 -4.708 134 HB3 TYR 19 HB1 TYR 19 1.984 19.267 -5.164 135 HD1 TYR 19 HD1 TYR 19 2.331 21.191 -7.026 136 HD2 TYR 19 HD2 TYR 19 4.851 17.802 -6.472 137 HE1 TYR 19 HE1 TYR 19 3.119 21.423 -9.365 138 HE2 TYR 19 HE2 TYR 19 5.681 18.023 -8.808 139 HH TYR 19 HH TYR 19 4.205 20.283 -11.053 140 H CYS 20 HN CYS 20 5.079 20.758 -2.351 141 HA CYS 20 HA CYS 20 3.194 19.509 -0.509 142 HB2 CYS 20 HB2 CYS 20 5.681 21.048 0.160 143 HB3 CYS 20 HB1 CYS 20 4.814 19.975 1.182 144 H ASN 21 HN ASN 21 1.463 21.087 -1.015 145 HA ASN 21 HA ASN 21 0.133 22.932 -0.459 146 HB2 ASN 21 HB2 ASN 21 0.200 21.970 1.741 147 HB3 ASN 21 HB1 ASN 21 1.815 22.602 2.036 148 HD21 ASN 21 HD21 ASN 21 -1.432 23.888 1.090 149 HD22 ASN 21 HD22 ASN 21 -1.329 25.269 2.071 150 H1 PHE 22 HT1 PHE 22 16.736 11.305 -2.766 151 H2 PHE 22 HT2 PHE 22 17.032 11.189 -4.435 152 H3 PHE 22 HT3 PHE 22 17.256 9.835 -3.434 153 HA PHE 22 HA PHE 22 14.826 9.975 -2.880 154 HB2 PHE 22 HB2 PHE 22 14.868 12.391 -3.942 155 HB3 PHE 22 HB1 PHE 22 14.604 11.533 -5.457 156 HD1 PHE 22 HD1 PHE 22 13.307 11.654 -1.938 157 HD2 PHE 22 HD2 PHE 22 12.385 11.040 -6.090 158 HE1 PHE 22 HE1 PHE 22 10.906 11.444 -1.376 159 HE2 PHE 22 HE2 PHE 22 9.981 10.828 -5.524 160 HZ PHE 22 HZ PHE 22 9.235 11.028 -3.164 161 H VAL 23 HN VAL 23 13.749 9.925 -5.863 162 HA VAL 23 HA VAL 23 15.217 7.550 -6.851 163 HB VAL 23 HB VAL 23 13.574 6.556 -5.387 164 HG11 VAL 23 HG11 VAL 23 11.586 8.266 -6.897 165 HG12 VAL 23 HG12 VAL 23 12.101 8.511 -5.228 166 HG13 VAL 23 HG13 VAL 23 11.180 7.072 -5.665 167 HG21 VAL 23 HG21 VAL 23 13.924 5.663 -7.791 168 HG22 VAL 23 HG22 VAL 23 12.358 6.390 -8.153 169 HG23 VAL 23 HG23 VAL 23 12.481 5.123 -6.934 170 H ASN 24 HN ASN 24 14.388 6.897 -9.015 171 HA ASN 24 HA ASN 24 13.191 9.192 -10.535 172 HB2 ASN 24 HB2 ASN 24 15.499 7.351 -11.192 173 HB3 ASN 24 HB1 ASN 24 14.611 8.191 -12.460 174 HD21 ASN 24 HD21 ASN 24 14.297 10.705 -11.840 175 HD22 ASN 24 HD22 ASN 24 15.704 11.469 -11.276 176 H GLN 25 HN GLN 25 11.209 7.853 -9.884 177 HA GLN 25 HA GLN 25 10.790 5.578 -11.803 178 HB2 GLN 25 HB2 GLN 25 10.061 5.999 -8.928 179 HB3 GLN 25 HB1 GLN 25 8.899 5.125 -9.912 180 HG2 GLN 25 HG2 GLN 25 10.745 3.571 -10.609 181 HG3 GLN 25 HG1 GLN 25 11.820 4.411 -9.490 182 HE21 GLN 25 HE21 GLN 25 8.828 4.559 -8.056 183 HE22 GLN 25 HE22 GLN 25 8.902 3.159 -7.099 184 H HIS 26 HN HIS 26 8.398 5.286 -12.273 185 HA HIS 26 HA HIS 26 7.233 7.905 -13.044 186 HB2 HIS 26 HB2 HIS 26 6.782 5.027 -13.833 187 HB3 HIS 26 HB1 HIS 26 5.498 6.200 -14.112 188 HD2 HIS 26 HD2 HIS 26 9.186 5.517 -15.366 189 HE1 HIS 26 HE1 HIS 26 7.412 8.403 -17.889 190 HE2 HIS 26 HE2 HIS 26 9.454 6.930 -17.532 191 H LEU 27 HN LEU 27 6.474 8.641 -11.028 192 HA LEU 27 HA LEU 27 4.831 6.895 -9.344 193 HB2 LEU 27 HB2 LEU 27 5.137 9.886 -9.029 194 HB3 LEU 27 HB1 LEU 27 4.784 8.668 -7.815 195 HG LEU 27 HG LEU 27 7.403 8.669 -9.314 196 HD11 LEU 27 HD11 LEU 27 8.353 9.821 -7.335 197 HD12 LEU 27 HD12 LEU 27 6.725 10.024 -6.689 198 HD13 LEU 27 HD13 LEU 27 7.187 10.835 -8.185 199 HD21 LEU 27 HD21 LEU 27 8.108 7.410 -7.274 200 HD22 LEU 27 HD22 LEU 27 6.819 6.594 -8.157 201 HD23 LEU 27 HD23 LEU 27 6.449 7.491 -6.684 202 H CYS 28 HN CYS 28 2.596 6.960 -9.135 203 HA CYS 28 HA CYS 28 1.104 9.065 -10.621 204 HB2 CYS 28 HB2 CYS 28 0.518 6.109 -10.939 205 HB3 CYS 28 HB1 CYS 28 -0.300 7.446 -11.750 206 H GLY 29 HN GLY 29 -0.409 9.857 -9.341 207 HA2 GLY 29 HA2 GLY 29 -1.713 10.111 -7.396 208 HA3 GLY 29 HA1 GLY 29 -2.457 8.657 -8.029 209 H SER 30 HN SER 30 -2.334 6.834 -6.812 210 HA SER 30 HA SER 30 -1.729 6.716 -4.164 211 HB2 SER 30 HB2 SER 30 -1.215 4.518 -6.177 212 HB3 SER 30 HB1 SER 30 -1.294 4.274 -4.435 213 HG SER 30 HG SER 30 -3.425 5.570 -4.881 214 H ASP 31 HN ASP 31 0.701 5.608 -6.569 215 HA ASP 31 HA ASP 31 2.806 5.445 -4.641 216 HB2 ASP 31 HB2 ASP 31 3.280 6.031 -7.564 217 HB3 ASP 31 HB1 ASP 31 4.235 5.035 -6.468 218 H LEU 32 HN LEU 32 1.914 7.994 -6.948 219 HA LEU 32 HA LEU 32 4.018 9.814 -6.257 220 HB2 LEU 32 HB2 LEU 32 2.805 10.069 -8.325 221 HB3 LEU 32 HB1 LEU 32 1.269 10.167 -7.473 222 HG LEU 32 HG LEU 32 1.892 12.321 -6.504 223 HD11 LEU 32 HD11 LEU 32 4.152 13.246 -7.701 224 HD12 LEU 32 HD12 LEU 32 4.587 11.565 -7.564 225 HD13 LEU 32 HD13 LEU 32 4.157 12.477 -6.123 226 HD21 LEU 32 HD21 LEU 32 1.473 13.509 -8.447 227 HD22 LEU 32 HD22 LEU 32 1.073 11.903 -9.024 228 HD23 LEU 32 HD23 LEU 32 2.637 12.604 -9.395 229 H VAL 33 HN VAL 33 0.585 10.079 -5.435 230 HA VAL 33 HA VAL 33 0.617 12.070 -3.553 231 HB VAL 33 HB VAL 33 -0.809 9.400 -3.487 232 HG11 VAL 33 HG11 VAL 33 -0.967 9.975 -1.240 233 HG12 VAL 33 HG12 VAL 33 -2.377 10.812 -1.890 234 HG13 VAL 33 HG13 VAL 33 -0.890 11.698 -1.574 235 HG21 VAL 33 HG21 VAL 33 -1.879 12.156 -4.079 236 HG22 VAL 33 HG22 VAL 33 -2.652 10.605 -4.402 237 HG23 VAL 33 HG23 VAL 33 -1.233 11.094 -5.329 238 H GLU 34 HN GLU 34 1.113 8.631 -2.823 239 HA GLU 34 HA GLU 34 1.946 8.937 -0.135 240 HB2 GLU 34 HB2 GLU 34 2.607 6.892 -2.260 241 HB3 GLU 34 HB1 GLU 34 3.342 6.797 -0.659 242 HG2 GLU 34 HG2 GLU 34 0.353 7.012 -1.083 243 HG3 GLU 34 HG1 GLU 34 1.196 5.472 -0.941 244 H ALA 35 HN ALA 35 3.731 9.166 -3.180 245 HA ALA 35 HA ALA 35 6.344 9.549 -2.075 246 HB1 ALA 35 HB1 ALA 35 6.999 10.220 -4.223 247 HB2 ALA 35 HB2 ALA 35 5.479 11.047 -4.553 248 HB3 ALA 35 HB3 ALA 35 5.558 9.290 -4.604 249 H LEU 36 HN LEU 36 3.597 11.765 -2.616 250 HA LEU 36 HA LEU 36 5.159 14.066 -1.823 251 HB2 LEU 36 HB2 LEU 36 2.213 13.577 -2.090 252 HB3 LEU 36 HB1 LEU 36 2.874 15.126 -1.571 253 HG LEU 36 HG LEU 36 3.782 13.756 -4.123 254 HD11 LEU 36 HD11 LEU 36 1.231 15.082 -3.561 255 HD12 LEU 36 HD12 LEU 36 1.733 14.128 -4.946 256 HD13 LEU 36 HD13 LEU 36 2.104 15.842 -4.873 257 HD21 LEU 36 HD21 LEU 36 5.349 15.461 -3.564 258 HD22 LEU 36 HD22 LEU 36 4.111 16.526 -2.913 259 HD23 LEU 36 HD23 LEU 36 4.244 16.289 -4.651 260 H TYR 37 HN TYR 37 2.527 12.263 -0.197 261 HA TYR 37 HA TYR 37 2.655 13.423 2.342 262 HB2 TYR 37 HB2 TYR 37 1.060 11.627 1.714 263 HB3 TYR 37 HB1 TYR 37 2.388 10.462 1.734 264 HD1 TYR 37 HD2 TYR 37 3.616 10.003 3.852 265 HD2 TYR 37 HD1 TYR 37 0.089 12.433 3.732 266 HE1 TYR 37 HE2 TYR 37 3.378 9.766 6.310 267 HE2 TYR 37 HE1 TYR 37 -0.154 12.211 6.187 268 HH TYR 37 HH TYR 37 2.284 10.499 8.128 269 H LEU 38 HN LEU 38 4.869 11.235 0.785 270 HA LEU 38 HA LEU 38 6.482 10.683 3.131 271 HB2 LEU 38 HB2 LEU 38 6.358 9.165 1.203 272 HB3 LEU 38 HB1 LEU 38 7.009 10.400 0.151 273 HG LEU 38 HG LEU 38 8.533 9.548 2.604 274 HD11 LEU 38 HD11 LEU 38 8.547 8.134 -0.078 275 HD12 LEU 38 HD12 LEU 38 8.010 7.456 1.458 276 HD13 LEU 38 HD13 LEU 38 9.712 7.848 1.215 277 HD21 LEU 38 HD21 LEU 38 9.129 11.000 0.046 278 HD22 LEU 38 HD22 LEU 38 10.408 9.990 0.707 279 HD23 LEU 38 HD23 LEU 38 9.732 11.292 1.673 280 H VAL 39 HN VAL 39 6.748 12.740 0.258 281 HA VAL 39 HA VAL 39 9.187 14.070 1.104 282 HB VAL 39 HB VAL 39 7.108 14.594 -1.026 283 HG11 VAL 39 HG11 VAL 39 9.509 16.257 -0.328 284 HG12 VAL 39 HG12 VAL 39 7.834 16.786 -0.490 285 HG13 VAL 39 HG13 VAL 39 8.740 16.291 -1.912 286 HG21 VAL 39 HG21 VAL 39 8.524 12.771 -1.585 287 HG22 VAL 39 HG22 VAL 39 9.949 13.613 -1.012 288 HG23 VAL 39 HG23 VAL 39 9.142 14.148 -2.483 289 H CYS 40 HN CYS 40 5.877 15.304 0.675 290 HA CYS 40 HA CYS 40 6.312 17.759 2.071 291 HB2 CYS 40 HB2 CYS 40 3.711 16.302 1.638 292 HB3 CYS 40 HB1 CYS 40 3.937 18.033 1.797 293 H GLY 41 HN GLY 41 4.662 14.752 3.127 294 HA2 GLY 41 HA2 GLY 41 4.248 13.969 5.296 295 HA3 GLY 41 HA1 GLY 41 5.512 15.060 5.852 296 H GLU 42 HN GLU 42 4.799 16.570 7.248 297 HA GLU 42 HA GLU 42 2.032 16.932 7.856 298 HB2 GLU 42 HB2 GLU 42 3.728 17.326 9.539 299 HB3 GLU 42 HB1 GLU 42 4.451 18.607 8.565 300 HG2 GLU 42 HG2 GLU 42 2.580 20.043 8.868 301 HG3 GLU 42 HG1 GLU 42 1.570 18.729 9.472 302 H ARG 43 HN ARG 43 4.262 18.921 5.905 303 HA ARG 43 HA ARG 43 2.645 21.187 5.609 304 HB2 ARG 43 HB2 ARG 43 4.101 20.113 3.199 305 HB3 ARG 43 HB1 ARG 43 3.952 21.775 3.767 306 HG2 ARG 43 HG2 ARG 43 5.324 21.107 5.775 307 HG3 ARG 43 HG1 ARG 43 5.636 19.579 4.955 308 HD2 ARG 43 HD2 ARG 43 6.128 21.869 3.175 309 HD3 ARG 43 HD1 ARG 43 7.106 21.922 4.622 310 HE ARG 43 HE ARG 43 7.272 19.280 3.689 311 HH11 ARG 43 HH21 ARG 43 7.900 22.471 2.546 312 HH12 ARG 43 HH22 ARG 43 9.157 21.977 1.460 313 HH21 ARG 43 HH11 ARG 43 8.910 18.617 2.280 314 HH22 ARG 43 HH12 ARG 43 9.728 19.796 1.310 315 H GLY 44 HN GLY 44 1.948 17.988 4.499 316 HA2 GLY 44 HA2 GLY 44 0.020 17.239 3.334 317 HA3 GLY 44 HA1 GLY 44 -0.596 18.897 3.403 318 H PHE 45 HN PHE 45 -1.123 18.094 0.967 319 HA PHE 45 HA PHE 45 0.830 19.488 -0.680 320 HB2 PHE 45 HB2 PHE 45 1.332 17.424 -2.082 321 HB3 PHE 45 HB1 PHE 45 2.082 17.495 -0.500 322 HD1 PHE 45 HD1 PHE 45 -0.629 15.964 -2.454 323 HD2 PHE 45 HD2 PHE 45 1.470 16.011 1.265 324 HE1 PHE 45 HE1 PHE 45 -1.715 13.817 -1.819 325 HE2 PHE 45 HE2 PHE 45 0.405 13.872 1.914 326 HZ PHE 45 HZ PHE 45 -1.182 12.776 0.377 327 H 23F 46 HN 23F 46 0.177 19.272 -3.237 328 HB 23F 46 HB 23F 46 -3.075 20.317 -5.109 329 HD1 23F 46 HD1 23F 46 0.073 21.140 -2.827 330 HD2 23F 46 HD2 23F 46 -3.111 22.693 -5.480 331 HE1 23F 46 HE1 23F 46 1.030 23.445 -2.663 332 HE2 23F 46 HE2 23F 46 -2.138 24.924 -5.285 333 HZ 23F 46 HZ 23F 46 -0.070 25.361 -3.891 334 H TYR 47 HN TYR 47 -3.974 17.842 -2.927 335 HA TYR 47 HA TYR 47 -4.511 16.186 -5.219 336 HB2 TYR 47 HB2 TYR 47 -2.395 15.163 -3.590 337 HB3 TYR 47 HB1 TYR 47 -3.789 14.176 -3.220 338 HD1 TYR 47 HD2 TYR 47 -5.202 13.416 -5.319 339 HD2 TYR 47 HD1 TYR 47 -1.068 14.601 -5.460 340 HE1 TYR 47 HE2 TYR 47 -4.911 12.164 -7.443 341 HE2 TYR 47 HE1 TYR 47 -0.783 13.345 -7.576 342 HH TYR 47 HH TYR 47 -3.417 11.388 -8.928 343 H THR 48 HN THR 48 -4.630 15.325 -1.759 344 HA THR 48 HA THR 48 -7.183 14.326 -1.599 345 HB THR 48 HB THR 48 -7.257 15.074 0.736 346 HG1 THR 48 HG1 THR 48 -6.496 16.991 1.058 347 HG21 THR 48 HG21 THR 48 -5.244 14.034 1.479 348 HG22 THR 48 HG22 THR 48 -4.376 14.511 0.020 349 HG23 THR 48 HG23 THR 48 -5.631 13.276 -0.066 350 H LYS 49 HN LYS 49 -9.286 15.132 -1.464 351 HA LYS 49 HA LYS 49 -11.033 16.624 -1.969 352 HB2 LYS 49 HB2 LYS 49 -9.181 18.690 -0.779 353 HB3 LYS 49 HB1 LYS 49 -10.936 18.756 -0.876 354 HG2 LYS 49 HG2 LYS 49 -9.497 16.560 0.629 355 HG3 LYS 49 HG1 LYS 49 -9.959 18.076 1.394 356 HD2 LYS 49 HD2 LYS 49 -12.333 17.631 0.590 357 HD3 LYS 49 HD1 LYS 49 -11.788 16.013 0.147 358 HE2 LYS 49 HE2 LYS 49 -11.505 17.194 2.923 359 HE3 LYS 49 HE1 LYS 49 -12.821 16.128 2.431 360 HZ1 LYS 49 HZ1 LYS 49 -11.391 14.352 2.146 361 HZ2 LYS 49 HZ2 LYS 49 -10.761 15.108 3.532 362 HZ3 LYS 49 HZ3 LYS 49 -10.012 15.333 2.023 363 HA PRO 50 HA PRO 50 -8.548 17.954 -5.661 364 HB2 PRO 50 HB2 PRO 50 -10.870 16.868 -7.125 365 HB3 PRO 50 HB1 PRO 50 -9.153 16.491 -7.328 366 HG2 PRO 50 HG2 PRO 50 -10.997 14.775 -6.156 367 HG3 PRO 50 HG1 PRO 50 -9.251 14.724 -5.857 368 HD2 PRO 50 HD2 PRO 50 -11.412 15.709 -4.075 369 HD3 PRO 50 HD1 PRO 50 -9.781 15.164 -3.661 370 H THR 51 HN THR 51 -12.091 17.953 -6.052 371 HA THR 51 HA THR 51 -12.069 20.733 -6.929 372 HB THR 51 HB THR 51 -14.483 19.068 -6.174 373 HG1 THR 51 HG1 THR 51 -12.790 19.017 -8.403 374 HG21 THR 51 HG21 THR 51 -15.595 20.502 -7.842 375 HG22 THR 51 HG22 THR 51 -14.074 21.349 -8.129 376 HG23 THR 51 HG23 THR 51 -14.870 21.472 -6.560 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -1.398 19.374 -11.257 2 H2 GLY 1 HT2 GLY 1 -1.499 17.787 -11.856 3 H3 GLY 1 HT3 GLY 1 -2.150 19.077 -12.749 4 HA2 GLY 1 HA2 GLY 1 -0.275 19.204 -13.951 5 HA3 GLY 1 HA1 GLY 1 0.490 19.664 -12.405 6 H ILE 2 HN ILE 2 0.497 17.931 -10.584 7 HA ILE 2 HA ILE 2 3.263 17.302 -11.085 8 HB ILE 2 HB ILE 2 2.481 17.631 -8.813 9 HG12 ILE 2 HG12 ILE 2 3.248 14.717 -9.257 10 HG13 ILE 2 HG11 ILE 2 4.362 16.066 -9.115 11 HG21 ILE 2 HG21 ILE 2 0.604 15.352 -9.451 12 HG22 ILE 2 HG22 ILE 2 0.205 16.969 -8.895 13 HG23 ILE 2 HG23 ILE 2 0.956 15.825 -7.793 14 HD11 ILE 2 HD11 ILE 2 3.059 16.450 -6.853 15 HD12 ILE 2 HD12 ILE 2 4.384 15.295 -6.948 16 HD13 ILE 2 HD13 ILE 2 2.715 14.737 -7.032 17 H VAL 3 HN VAL 3 0.259 15.533 -11.537 18 HA VAL 3 HA VAL 3 1.303 12.914 -11.765 19 HB VAL 3 HB VAL 3 -1.023 14.205 -13.214 20 HG11 VAL 3 HG11 VAL 3 -0.419 12.138 -14.330 21 HG12 VAL 3 HG12 VAL 3 -1.852 11.840 -13.346 22 HG13 VAL 3 HG13 VAL 3 -0.270 11.304 -12.784 23 HG21 VAL 3 HG21 VAL 3 -1.118 14.314 -10.739 24 HG22 VAL 3 HG22 VAL 3 -0.870 12.570 -10.661 25 HG23 VAL 3 HG23 VAL 3 -2.343 13.220 -11.382 26 H GLU 4 HN GLU 4 0.813 15.332 -14.373 27 HA GLU 4 HA GLU 4 1.708 13.776 -16.530 28 HB2 GLU 4 HB2 GLU 4 0.807 15.964 -16.934 29 HB3 GLU 4 HB1 GLU 4 2.076 16.728 -15.979 30 HG2 GLU 4 HG2 GLU 4 3.704 16.414 -17.624 31 HG3 GLU 4 HG1 GLU 4 2.859 15.051 -18.353 32 H GLN 5 HN GLN 5 3.808 16.092 -14.771 33 HA GLN 5 HA GLN 5 6.182 15.198 -15.994 34 HB2 GLN 5 HB2 GLN 5 5.786 16.477 -13.276 35 HB3 GLN 5 HB1 GLN 5 7.353 16.272 -14.053 36 HG2 GLN 5 HG2 GLN 5 6.763 18.456 -14.679 37 HG3 GLN 5 HG1 GLN 5 6.251 17.515 -16.074 38 HE21 GLN 5 HE21 GLN 5 4.882 18.501 -12.893 39 HE22 GLN 5 HE22 GLN 5 3.339 18.867 -13.501 40 H CYS 6 HN CYS 6 4.692 14.073 -12.962 41 HA CYS 6 HA CYS 6 6.923 12.234 -12.439 42 HB2 CYS 6 HB2 CYS 6 4.295 12.233 -10.994 43 HB3 CYS 6 HB1 CYS 6 5.894 11.886 -10.344 44 H CYS 7 HN CYS 7 3.463 11.839 -13.281 45 HA CYS 7 HA CYS 7 3.795 8.932 -13.449 46 HB2 CYS 7 HB2 CYS 7 1.690 10.060 -12.679 47 HB3 CYS 7 HB1 CYS 7 1.434 10.612 -14.330 48 H THR 8 HN THR 8 2.987 11.473 -15.878 49 HA THR 8 HA THR 8 3.257 9.609 -18.080 50 HB THR 8 HB THR 8 3.569 12.607 -18.317 51 HG1 THR 8 HG1 THR 8 1.336 12.729 -18.287 52 HG21 THR 8 HG21 THR 8 2.638 12.293 -20.480 53 HG22 THR 8 HG22 THR 8 2.122 10.650 -20.097 54 HG23 THR 8 HG23 THR 8 3.838 11.015 -20.286 55 H SER 9 HN SER 9 5.425 11.661 -16.300 56 HA SER 9 HA SER 9 7.735 10.571 -17.853 57 HB2 SER 9 HB2 SER 9 7.293 13.450 -17.032 58 HB3 SER 9 HB1 SER 9 8.831 12.823 -17.592 59 HG SER 9 HG SER 9 6.782 13.673 -19.033 60 H ILE 10 HN ILE 10 9.824 11.089 -16.426 61 HA ILE 10 HA ILE 10 9.132 10.184 -13.695 62 HB ILE 10 HB ILE 10 11.881 10.647 -14.892 63 HG12 ILE 10 HG12 ILE 10 9.993 8.280 -14.927 64 HG13 ILE 10 HG11 ILE 10 10.909 8.974 -16.262 65 HG21 ILE 10 HG21 ILE 10 11.052 8.888 -12.563 66 HG22 ILE 10 HG22 ILE 10 11.601 10.548 -12.346 67 HG23 ILE 10 HG23 ILE 10 12.686 9.348 -13.035 68 HD11 ILE 10 HD11 ILE 10 11.867 7.188 -14.037 69 HD12 ILE 10 HD12 ILE 10 13.005 8.245 -14.871 70 HD13 ILE 10 HD13 ILE 10 12.114 7.020 -15.775 71 H CYS 11 HN CYS 11 9.035 11.531 -11.994 72 HA CYS 11 HA CYS 11 9.726 14.382 -12.373 73 HB2 CYS 11 HB2 CYS 11 8.045 12.797 -10.494 74 HB3 CYS 11 HB1 CYS 11 8.776 14.245 -9.818 75 H SER 12 HN SER 12 10.438 15.254 -10.013 76 HA SER 12 HA SER 12 12.737 13.665 -9.001 77 HB2 SER 12 HB2 SER 12 13.508 16.430 -9.052 78 HB3 SER 12 HB1 SER 12 14.240 15.100 -9.942 79 HG SER 12 HG SER 12 12.131 15.540 -11.280 80 H LEU 13 HN LEU 13 13.249 14.241 -6.838 81 HA LEU 13 HA LEU 13 11.238 14.632 -5.001 82 HB2 LEU 13 HB2 LEU 13 13.465 14.056 -4.302 83 HB3 LEU 13 HB1 LEU 13 14.127 15.543 -4.965 84 HG LEU 13 HG LEU 13 13.068 16.867 -3.270 85 HD11 LEU 13 HD11 LEU 13 10.909 15.905 -3.066 86 HD12 LEU 13 HD12 LEU 13 11.659 15.601 -1.501 87 HD13 LEU 13 HD13 LEU 13 11.566 14.313 -2.702 88 HD21 LEU 13 HD21 LEU 13 14.003 15.895 -1.221 89 HD22 LEU 13 HD22 LEU 13 15.106 15.669 -2.579 90 HD23 LEU 13 HD23 LEU 13 14.116 14.323 -2.013 91 H TYR 14 HN TYR 14 13.437 17.159 -6.029 92 HA TYR 14 HA TYR 14 12.264 19.409 -4.892 93 HB2 TYR 14 HB2 TYR 14 13.281 19.542 -7.714 94 HB3 TYR 14 HB1 TYR 14 13.539 20.671 -6.388 95 HD1 TYR 14 HD1 TYR 14 14.778 19.674 -4.257 96 HD2 TYR 14 HD2 TYR 14 14.949 18.019 -8.191 97 HE1 TYR 14 HE1 TYR 14 16.870 18.478 -3.660 98 HE2 TYR 14 HE2 TYR 14 17.026 16.818 -7.620 99 HH TYR 14 HH TYR 14 18.704 16.674 -6.090 100 H GLN 15 HN GLN 15 11.454 17.888 -7.986 101 HA GLN 15 HA GLN 15 9.314 19.726 -8.611 102 HB2 GLN 15 HB2 GLN 15 9.857 16.878 -9.484 103 HB3 GLN 15 HB1 GLN 15 8.481 17.807 -10.064 104 HG2 GLN 15 HG2 GLN 15 10.141 19.593 -10.774 105 HG3 GLN 15 HG1 GLN 15 11.416 18.423 -10.443 106 HE21 GLN 15 HE21 GLN 15 8.185 18.118 -11.937 107 HE22 GLN 15 HE22 GLN 15 8.745 17.388 -13.356 108 H LEU 16 HN LEU 16 9.588 16.826 -6.627 109 HA LEU 16 HA LEU 16 6.712 16.635 -6.209 110 HB2 LEU 16 HB2 LEU 16 9.091 15.226 -5.222 111 HB3 LEU 16 HB1 LEU 16 7.850 15.388 -3.998 112 HG LEU 16 HG LEU 16 6.207 14.440 -5.646 113 HD11 LEU 16 HD11 LEU 16 7.050 13.326 -7.617 114 HD12 LEU 16 HD12 LEU 16 8.708 13.751 -7.190 115 HD13 LEU 16 HD13 LEU 16 7.566 15.012 -7.658 116 HD21 LEU 16 HD21 LEU 16 8.585 12.927 -4.596 117 HD22 LEU 16 HD22 LEU 16 7.382 12.087 -5.571 118 HD23 LEU 16 HD23 LEU 16 6.902 12.873 -4.068 119 H GLU 17 HN GLU 17 9.409 18.180 -4.639 120 HA GLU 17 HA GLU 17 8.102 18.933 -2.260 121 HB2 GLU 17 HB2 GLU 17 10.315 20.310 -3.772 122 HB3 GLU 17 HB1 GLU 17 9.837 20.645 -2.122 123 HG2 GLU 17 HG2 GLU 17 10.231 18.039 -1.812 124 HG3 GLU 17 HG1 GLU 17 11.244 18.238 -3.217 125 H ASN 18 HN ASN 18 8.351 20.427 -5.374 126 HA ASN 18 HA ASN 18 7.389 23.000 -4.929 127 HB2 ASN 18 HB2 ASN 18 7.343 21.055 -7.163 128 HB3 ASN 18 HB1 ASN 18 6.125 22.308 -7.283 129 HD21 ASN 18 HD21 ASN 18 9.161 21.646 -8.335 130 HD22 ASN 18 HD22 ASN 18 9.807 23.213 -8.418 131 H TYR 19 HN TYR 19 5.580 20.036 -5.166 132 HA TYR 19 HA TYR 19 2.991 21.397 -4.965 133 HB2 TYR 19 HB2 TYR 19 3.592 18.447 -4.881 134 HB3 TYR 19 HB1 TYR 19 2.077 19.213 -5.332 135 HD1 TYR 19 HD1 TYR 19 2.429 21.134 -7.203 136 HD2 TYR 19 HD2 TYR 19 4.924 17.724 -6.655 137 HE1 TYR 19 HE1 TYR 19 3.210 21.357 -9.544 138 HE2 TYR 19 HE2 TYR 19 5.745 17.935 -8.994 139 HH TYR 19 HH TYR 19 4.245 19.542 -11.307 140 H CYS 20 HN CYS 20 5.207 20.690 -2.561 141 HA CYS 20 HA CYS 20 3.332 19.496 -0.678 142 HB2 CYS 20 HB2 CYS 20 5.844 21.011 -0.068 143 HB3 CYS 20 HB1 CYS 20 4.986 19.952 0.976 144 H ASN 21 HN ASN 21 1.615 21.093 -1.172 145 HA ASN 21 HA ASN 21 0.364 23.020 -0.675 146 HB2 ASN 21 HB2 ASN 21 0.339 21.923 1.499 147 HB3 ASN 21 HB1 ASN 21 1.915 22.603 1.896 148 HD21 ASN 21 HD21 ASN 21 -1.500 23.478 1.320 149 HD22 ASN 21 HD22 ASN 21 -1.417 24.980 2.106 150 H1 PHE 22 HT1 PHE 22 16.906 11.658 -4.051 151 H2 PHE 22 HT2 PHE 22 17.422 10.133 -4.592 152 H3 PHE 22 HT3 PHE 22 17.120 10.394 -2.941 153 HA PHE 22 HA PHE 22 14.985 9.919 -3.151 154 HB2 PHE 22 HB2 PHE 22 14.985 12.325 -4.225 155 HB3 PHE 22 HB1 PHE 22 14.716 11.460 -5.734 156 HD1 PHE 22 HD1 PHE 22 13.454 11.553 -2.202 157 HD2 PHE 22 HD2 PHE 22 12.493 10.961 -6.348 158 HE1 PHE 22 HE1 PHE 22 11.065 11.309 -1.616 159 HE2 PHE 22 HE2 PHE 22 10.096 10.720 -5.757 160 HZ PHE 22 HZ PHE 22 9.374 10.892 -3.386 161 H VAL 23 HN VAL 23 13.864 9.846 -6.120 162 HA VAL 23 HA VAL 23 15.327 7.471 -7.114 163 HB VAL 23 HB VAL 23 13.721 6.482 -5.607 164 HG11 VAL 23 HG11 VAL 23 11.317 6.977 -5.844 165 HG12 VAL 23 HG12 VAL 23 11.690 8.161 -7.096 166 HG13 VAL 23 HG13 VAL 23 12.236 8.427 -5.440 167 HG21 VAL 23 HG21 VAL 23 12.451 6.272 -8.344 168 HG22 VAL 23 HG22 VAL 23 12.615 5.021 -7.114 169 HG23 VAL 23 HG23 VAL 23 14.032 5.566 -8.008 170 H ASN 24 HN ASN 24 14.443 6.791 -9.259 171 HA ASN 24 HA ASN 24 13.208 9.077 -10.764 172 HB2 ASN 24 HB2 ASN 24 15.531 7.267 -11.436 173 HB3 ASN 24 HB1 ASN 24 14.595 8.033 -12.716 174 HD21 ASN 24 HD21 ASN 24 14.769 10.355 -12.966 175 HD22 ASN 24 HD22 ASN 24 15.932 11.265 -12.131 176 H GLN 25 HN GLN 25 11.253 7.729 -10.050 177 HA GLN 25 HA GLN 25 10.787 5.446 -11.948 178 HB2 GLN 25 HB2 GLN 25 10.099 5.900 -9.067 179 HB3 GLN 25 HB1 GLN 25 8.931 5.009 -10.029 180 HG2 GLN 25 HG2 GLN 25 10.739 3.438 -10.715 181 HG3 GLN 25 HG1 GLN 25 11.867 4.316 -9.681 182 HE21 GLN 25 HE21 GLN 25 9.200 4.660 -7.911 183 HE22 GLN 25 HE22 GLN 25 9.222 3.233 -6.993 184 H HIS 26 HN HIS 26 8.394 5.165 -12.394 185 HA HIS 26 HA HIS 26 7.228 7.788 -13.151 186 HB2 HIS 26 HB2 HIS 26 6.767 4.914 -13.942 187 HB3 HIS 26 HB1 HIS 26 5.474 6.082 -14.197 188 HD2 HIS 26 HD2 HIS 26 9.172 5.468 -15.477 189 HE1 HIS 26 HE1 HIS 26 7.304 8.286 -18.010 190 HE2 HIS 26 HE2 HIS 26 9.390 6.876 -17.653 191 H LEU 27 HN LEU 27 6.455 8.550 -11.166 192 HA LEU 27 HA LEU 27 4.829 6.810 -9.449 193 HB2 LEU 27 HB2 LEU 27 5.150 9.801 -9.149 194 HB3 LEU 27 HB1 LEU 27 4.811 8.587 -7.927 195 HG LEU 27 HG LEU 27 7.412 8.591 -9.456 196 HD11 LEU 27 HD11 LEU 27 8.397 9.769 -7.543 197 HD12 LEU 27 HD12 LEU 27 6.809 9.895 -6.788 198 HD13 LEU 27 HD13 LEU 27 7.142 10.759 -8.289 199 HD21 LEU 27 HD21 LEU 27 6.490 7.404 -6.819 200 HD22 LEU 27 HD22 LEU 27 8.141 7.322 -7.432 201 HD23 LEU 27 HD23 LEU 27 6.838 6.511 -8.299 202 H CYS 28 HN CYS 28 2.594 6.904 -9.215 203 HA CYS 28 HA CYS 28 1.111 9.007 -10.712 204 HB2 CYS 28 HB2 CYS 28 0.495 6.055 -10.996 205 HB3 CYS 28 HB1 CYS 28 -0.315 7.390 -11.816 206 H GLY 29 HN GLY 29 -0.384 9.830 -9.426 207 HA2 GLY 29 HA2 GLY 29 -1.660 10.116 -7.463 208 HA3 GLY 29 HA1 GLY 29 -2.441 8.676 -8.090 209 H SER 30 HN SER 30 -2.338 6.850 -6.878 210 HA SER 30 HA SER 30 -1.714 6.713 -4.234 211 HB2 SER 30 HB2 SER 30 -2.699 4.868 -5.659 212 HB3 SER 30 HB1 SER 30 -1.053 4.432 -6.107 213 HG SER 30 HG SER 30 -2.241 4.445 -3.533 214 H ASP 31 HN ASP 31 0.672 5.586 -6.673 215 HA ASP 31 HA ASP 31 2.796 5.374 -4.764 216 HB2 ASP 31 HB2 ASP 31 3.296 5.953 -7.681 217 HB3 ASP 31 HB1 ASP 31 4.175 4.880 -6.594 218 H LEU 32 HN LEU 32 1.885 7.948 -7.026 219 HA LEU 32 HA LEU 32 4.050 9.724 -6.379 220 HB2 LEU 32 HB2 LEU 32 2.836 9.998 -8.438 221 HB3 LEU 32 HB1 LEU 32 1.303 10.109 -7.583 222 HG LEU 32 HG LEU 32 1.943 12.260 -6.620 223 HD11 LEU 32 HD11 LEU 32 4.205 13.163 -7.846 224 HD12 LEU 32 HD12 LEU 32 4.630 11.481 -7.674 225 HD13 LEU 32 HD13 LEU 32 4.206 12.426 -6.253 226 HD21 LEU 32 HD21 LEU 32 1.516 13.443 -8.565 227 HD22 LEU 32 HD22 LEU 32 1.111 11.836 -9.138 228 HD23 LEU 32 HD23 LEU 32 2.675 12.533 -9.515 229 H VAL 33 HN VAL 33 0.631 10.044 -5.521 230 HA VAL 33 HA VAL 33 0.705 12.046 -3.655 231 HB VAL 33 HB VAL 33 -0.747 9.391 -3.573 232 HG11 VAL 33 HG11 VAL 33 -2.270 10.880 -1.939 233 HG12 VAL 33 HG12 VAL 33 -0.715 11.629 -1.594 234 HG13 VAL 33 HG13 VAL 33 -0.934 9.907 -1.324 235 HG21 VAL 33 HG21 VAL 33 -1.184 11.107 -5.391 236 HG22 VAL 33 HG22 VAL 33 -1.792 12.168 -4.121 237 HG23 VAL 33 HG23 VAL 33 -2.593 10.631 -4.443 238 H GLU 34 HN GLU 34 1.181 8.609 -2.897 239 HA GLU 34 HA GLU 34 2.050 8.933 -0.222 240 HB2 GLU 34 HB2 GLU 34 2.674 6.863 -2.335 241 HB3 GLU 34 HB1 GLU 34 3.422 6.777 -0.739 242 HG2 GLU 34 HG2 GLU 34 0.432 7.016 -1.135 243 HG3 GLU 34 HG1 GLU 34 1.260 5.469 -0.995 244 H ALA 35 HN ALA 35 3.803 9.120 -3.290 245 HA ALA 35 HA ALA 35 6.432 9.488 -2.217 246 HB1 ALA 35 HB1 ALA 35 5.551 10.978 -4.696 247 HB2 ALA 35 HB2 ALA 35 5.610 9.219 -4.735 248 HB3 ALA 35 HB3 ALA 35 7.066 10.134 -4.380 249 H LEU 36 HN LEU 36 3.692 11.718 -2.730 250 HA LEU 36 HA LEU 36 5.281 14.015 -1.975 251 HB2 LEU 36 HB2 LEU 36 2.329 13.548 -2.203 252 HB3 LEU 36 HB1 LEU 36 3.008 15.095 -1.701 253 HG LEU 36 HG LEU 36 3.884 13.708 -4.255 254 HD11 LEU 36 HD11 LEU 36 1.827 14.067 -5.061 255 HD12 LEU 36 HD12 LEU 36 2.192 15.784 -5.002 256 HD13 LEU 36 HD13 LEU 36 1.337 15.034 -3.681 257 HD21 LEU 36 HD21 LEU 36 4.210 16.491 -3.074 258 HD22 LEU 36 HD22 LEU 36 4.344 16.232 -4.808 259 HD23 LEU 36 HD23 LEU 36 5.453 15.420 -3.715 260 H TYR 37 HN TYR 37 2.652 12.248 -0.300 261 HA TYR 37 HA TYR 37 2.815 13.423 2.228 262 HB2 TYR 37 HB2 TYR 37 1.210 11.626 1.638 263 HB3 TYR 37 HB1 TYR 37 2.535 10.458 1.644 264 HD1 TYR 37 HD2 TYR 37 3.807 10.024 3.755 265 HD2 TYR 37 HD1 TYR 37 0.257 12.422 3.662 266 HE1 TYR 37 HE2 TYR 37 3.599 9.801 6.218 267 HE2 TYR 37 HE1 TYR 37 0.047 12.214 6.120 268 HH TYR 37 HH TYR 37 2.570 10.918 8.080 269 H LEU 38 HN LEU 38 5.001 11.203 0.670 270 HA LEU 38 HA LEU 38 6.646 10.665 2.993 271 HB2 LEU 38 HB2 LEU 38 6.482 9.162 1.039 272 HB3 LEU 38 HB1 LEU 38 7.166 10.401 0.008 273 HG LEU 38 HG LEU 38 8.690 9.549 2.458 274 HD11 LEU 38 HD11 LEU 38 8.205 7.401 1.536 275 HD12 LEU 38 HD12 LEU 38 9.825 7.807 0.969 276 HD13 LEU 38 HD13 LEU 38 8.443 7.977 -0.114 277 HD21 LEU 38 HD21 LEU 38 10.587 9.857 0.655 278 HD22 LEU 38 HD22 LEU 38 9.817 11.283 1.331 279 HD23 LEU 38 HD23 LEU 38 9.339 10.697 -0.256 280 H VAL 39 HN VAL 39 6.879 12.716 0.115 281 HA VAL 39 HA VAL 39 9.320 14.056 0.937 282 HB VAL 39 HB VAL 39 7.226 14.562 -1.184 283 HG11 VAL 39 HG11 VAL 39 7.972 16.754 -0.676 284 HG12 VAL 39 HG12 VAL 39 8.859 16.239 -2.102 285 HG13 VAL 39 HG13 VAL 39 9.643 16.215 -0.522 286 HG21 VAL 39 HG21 VAL 39 9.243 14.083 -2.652 287 HG22 VAL 39 HG22 VAL 39 8.629 12.721 -1.728 288 HG23 VAL 39 HG23 VAL 39 10.062 13.566 -1.182 289 H CYS 40 HN CYS 40 6.009 15.289 0.510 290 HA CYS 40 HA CYS 40 6.456 17.754 1.880 291 HB2 CYS 40 HB2 CYS 40 3.847 16.306 1.481 292 HB3 CYS 40 HB1 CYS 40 4.086 18.037 1.610 293 H GLY 41 HN GLY 41 4.802 14.765 2.969 294 HA2 GLY 41 HA2 GLY 41 4.356 14.015 5.142 295 HA3 GLY 41 HA1 GLY 41 5.661 15.066 5.682 296 H GLU 42 HN GLU 42 5.018 16.611 7.069 297 HA GLU 42 HA GLU 42 2.301 17.079 7.763 298 HB2 GLU 42 HB2 GLU 42 4.197 17.530 9.274 299 HB3 GLU 42 HB1 GLU 42 4.708 18.854 8.229 300 HG2 GLU 42 HG2 GLU 42 3.429 19.745 10.108 301 HG3 GLU 42 HG1 GLU 42 2.510 19.979 8.628 302 H ARG 43 HN ARG 43 4.491 19.036 5.731 303 HA ARG 43 HA ARG 43 2.859 21.257 5.399 304 HB2 ARG 43 HB2 ARG 43 4.265 20.144 2.977 305 HB3 ARG 43 HB1 ARG 43 4.128 21.816 3.518 306 HG2 ARG 43 HG2 ARG 43 5.548 21.186 5.503 307 HG3 ARG 43 HG1 ARG 43 5.833 19.635 4.712 308 HD2 ARG 43 HD2 ARG 43 6.292 21.863 2.855 309 HD3 ARG 43 HD1 ARG 43 7.297 21.977 4.281 310 HE ARG 43 HE ARG 43 7.456 19.301 3.452 311 HH11 ARG 43 HH21 ARG 43 8.048 22.442 2.159 312 HH12 ARG 43 HH22 ARG 43 9.284 21.906 1.071 313 HH21 ARG 43 HH11 ARG 43 9.064 18.583 2.039 314 HH22 ARG 43 HH12 ARG 43 9.860 19.721 1.003 315 H GLY 44 HN GLY 44 2.117 18.048 4.403 316 HA2 GLY 44 HA2 GLY 44 0.198 17.264 3.256 317 HA3 GLY 44 HA1 GLY 44 -0.435 18.917 3.313 318 H PHE 45 HN PHE 45 -0.981 18.098 0.900 319 HA PHE 45 HA PHE 45 0.939 19.480 -0.800 320 HB2 PHE 45 HB2 PHE 45 1.453 17.397 -2.162 321 HB3 PHE 45 HB1 PHE 45 2.209 17.495 -0.584 322 HD1 PHE 45 HD1 PHE 45 -0.476 15.906 -2.516 323 HD2 PHE 45 HD2 PHE 45 1.597 16.038 1.212 324 HE1 PHE 45 HE1 PHE 45 -1.536 13.753 -1.853 325 HE2 PHE 45 HE2 PHE 45 0.559 13.893 1.884 326 HZ PHE 45 HZ PHE 45 -1.003 12.752 0.355 327 H 23F 46 HN 23F 46 0.223 19.248 -3.334 328 HB 23F 46 HB 23F 46 -3.083 20.176 -5.153 329 HD1 23F 46 HD1 23F 46 0.144 21.086 -3.009 330 HD2 23F 46 HD2 23F 46 -3.150 22.539 -5.588 331 HE1 23F 46 HE1 23F 46 1.080 23.398 -2.943 332 HE2 23F 46 HE2 23F 46 -2.190 24.784 -5.486 333 HZ 23F 46 HZ 23F 46 -0.079 25.273 -4.177 334 H TYR 47 HN TYR 47 -3.831 17.757 -2.791 335 HA TYR 47 HA TYR 47 -4.613 16.065 -4.940 336 HB2 TYR 47 HB2 TYR 47 -2.250 15.078 -3.590 337 HB3 TYR 47 HB1 TYR 47 -3.569 14.008 -3.190 338 HD1 TYR 47 HD2 TYR 47 -5.171 13.519 -5.335 339 HD2 TYR 47 HD1 TYR 47 -0.985 14.513 -5.491 340 HE1 TYR 47 HE2 TYR 47 -4.988 12.417 -7.547 341 HE2 TYR 47 HE1 TYR 47 -0.809 13.395 -7.689 342 HH TYR 47 HH TYR 47 -3.491 12.553 -9.551 343 H THR 48 HN THR 48 -6.540 15.053 -4.416 344 HA THR 48 HA THR 48 -8.495 14.709 -3.168 345 HB THR 48 HB THR 48 -6.585 14.160 -0.884 346 HG1 THR 48 HG1 THR 48 -6.561 13.063 -3.243 347 HG21 THR 48 HG21 THR 48 -8.913 14.144 -0.231 348 HG22 THR 48 HG22 THR 48 -8.366 12.470 -0.335 349 HG23 THR 48 HG23 THR 48 -9.345 13.160 -1.629 350 H LYS 49 HN LYS 49 -9.498 16.681 -2.933 351 HA LYS 49 HA LYS 49 -8.468 18.681 -1.066 352 HB2 LYS 49 HB2 LYS 49 -10.947 19.624 -1.773 353 HB3 LYS 49 HB1 LYS 49 -9.503 19.862 -2.755 354 HG2 LYS 49 HG2 LYS 49 -11.163 17.371 -3.056 355 HG3 LYS 49 HG1 LYS 49 -11.652 18.862 -3.851 356 HD2 LYS 49 HD2 LYS 49 -8.778 18.151 -4.217 357 HD3 LYS 49 HD1 LYS 49 -9.914 17.029 -4.959 358 HE2 LYS 49 HE2 LYS 49 -9.124 19.019 -6.392 359 HE3 LYS 49 HE1 LYS 49 -10.858 18.709 -6.334 360 HZ1 LYS 49 HZ1 LYS 49 -9.395 20.984 -5.429 361 HZ2 LYS 49 HZ2 LYS 49 -10.380 20.346 -4.201 362 HZ3 LYS 49 HZ3 LYS 49 -11.062 20.806 -5.685 363 HA PRO 50 HA PRO 50 -10.628 17.610 2.604 364 HB2 PRO 50 HB2 PRO 50 -12.156 20.151 2.619 365 HB3 PRO 50 HB1 PRO 50 -11.030 19.516 3.828 366 HG2 PRO 50 HG2 PRO 50 -10.434 21.589 2.075 367 HG3 PRO 50 HG1 PRO 50 -9.223 20.557 2.856 368 HD2 PRO 50 HD2 PRO 50 -10.050 20.598 0.029 369 HD3 PRO 50 HD1 PRO 50 -8.625 19.865 0.762 370 H THR 51 HN THR 51 -13.102 19.646 1.028 371 HA THR 51 HA THR 51 -15.301 17.999 1.614 372 HB THR 51 HB THR 51 -14.898 19.719 -0.853 373 HG1 THR 51 HG1 THR 51 -14.859 20.460 1.565 374 HG21 THR 51 HG21 THR 51 -17.443 19.853 -0.675 375 HG22 THR 51 HG22 THR 51 -17.339 18.485 0.433 376 HG23 THR 51 HG23 THR 51 -16.788 18.314 -1.234 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -0.587 20.091 -10.437 2 H2 GLY 1 HT2 GLY 1 -1.262 19.273 -11.764 3 H3 GLY 1 HT3 GLY 1 -1.299 20.970 -11.704 4 HA2 GLY 1 HA2 GLY 1 0.390 20.501 -13.289 5 HA3 GLY 1 HA1 GLY 1 1.219 20.775 -11.733 6 H ILE 2 HN ILE 2 1.074 19.015 -9.985 7 HA ILE 2 HA ILE 2 3.710 18.046 -10.565 8 HB ILE 2 HB ILE 2 2.982 18.333 -8.269 9 HG12 ILE 2 HG12 ILE 2 3.367 15.376 -8.888 10 HG13 ILE 2 HG11 ILE 2 4.646 16.559 -8.688 11 HG21 ILE 2 HG21 ILE 2 0.644 17.975 -8.354 12 HG22 ILE 2 HG22 ILE 2 1.242 16.663 -7.351 13 HG23 ILE 2 HG23 ILE 2 0.823 16.364 -9.032 14 HD11 ILE 2 HD11 ILE 2 2.856 15.343 -6.655 15 HD12 ILE 2 HD12 ILE 2 3.425 16.984 -6.390 16 HD13 ILE 2 HD13 ILE 2 4.584 15.670 -6.567 17 H VAL 3 HN VAL 3 0.507 16.723 -11.114 18 HA VAL 3 HA VAL 3 1.198 14.003 -11.497 19 HB VAL 3 HB VAL 3 -0.945 15.665 -12.849 20 HG11 VAL 3 HG11 VAL 3 -0.604 13.580 -14.060 21 HG12 VAL 3 HG12 VAL 3 -2.080 13.452 -13.104 22 HG13 VAL 3 HG13 VAL 3 -0.601 12.671 -12.549 23 HG21 VAL 3 HG21 VAL 3 -1.146 15.734 -10.435 24 HG22 VAL 3 HG22 VAL 3 -0.877 13.995 -10.318 25 HG23 VAL 3 HG23 VAL 3 -2.361 14.610 -11.046 26 H GLU 4 HN GLU 4 0.993 16.607 -13.960 27 HA GLU 4 HA GLU 4 1.675 15.099 -16.220 28 HB2 GLU 4 HB2 GLU 4 1.083 17.415 -16.467 29 HB3 GLU 4 HB1 GLU 4 2.444 17.930 -15.473 30 HG2 GLU 4 HG2 GLU 4 4.017 17.492 -17.148 31 HG3 GLU 4 HG1 GLU 4 2.974 16.337 -17.974 32 H GLN 5 HN GLN 5 4.075 16.991 -14.341 33 HA GLN 5 HA GLN 5 6.298 15.855 -15.649 34 HB2 GLN 5 HB2 GLN 5 6.119 17.022 -12.860 35 HB3 GLN 5 HB1 GLN 5 7.627 16.679 -13.704 36 HG2 GLN 5 HG2 GLN 5 7.281 18.953 -14.183 37 HG3 GLN 5 HG1 GLN 5 6.626 18.160 -15.611 38 HE21 GLN 5 HE21 GLN 5 5.391 18.962 -12.322 39 HE22 GLN 5 HE22 GLN 5 3.916 19.600 -12.868 40 H CYS 6 HN CYS 6 4.694 14.781 -12.654 41 HA CYS 6 HA CYS 6 6.666 12.638 -12.258 42 HB2 CYS 6 HB2 CYS 6 4.070 12.920 -10.779 43 HB3 CYS 6 HB1 CYS 6 5.608 12.312 -10.171 44 H CYS 7 HN CYS 7 3.181 12.749 -13.071 45 HA CYS 7 HA CYS 7 3.118 9.839 -13.386 46 HB2 CYS 7 HB2 CYS 7 1.188 11.189 -12.535 47 HB3 CYS 7 HB1 CYS 7 1.005 11.869 -14.148 48 H THR 8 HN THR 8 2.649 12.582 -15.679 49 HA THR 8 HA THR 8 2.657 10.805 -17.970 50 HB THR 8 HB THR 8 3.361 13.743 -18.084 51 HG1 THR 8 HG1 THR 8 1.368 12.951 -16.783 52 HG21 THR 8 HG21 THR 8 1.664 12.035 -19.906 53 HG22 THR 8 HG22 THR 8 3.399 12.259 -20.129 54 HG23 THR 8 HG23 THR 8 2.310 13.643 -20.232 55 H SER 9 HN SER 9 5.083 12.474 -16.127 56 HA SER 9 HA SER 9 7.221 11.173 -17.763 57 HB2 SER 9 HB2 SER 9 7.165 14.038 -16.790 58 HB3 SER 9 HB1 SER 9 8.603 13.246 -17.404 59 HG SER 9 HG SER 9 6.368 13.005 -18.996 60 H ILE 10 HN ILE 10 9.369 11.342 -16.342 61 HA ILE 10 HA ILE 10 8.584 10.384 -13.657 62 HB ILE 10 HB ILE 10 11.358 10.565 -14.876 63 HG12 ILE 10 HG12 ILE 10 9.197 8.445 -14.953 64 HG13 ILE 10 HG11 ILE 10 10.158 9.080 -16.285 65 HG21 ILE 10 HG21 ILE 10 10.360 8.825 -12.600 66 HG22 ILE 10 HG22 ILE 10 11.111 10.395 -12.327 67 HG23 ILE 10 HG23 ILE 10 12.029 9.103 -13.088 68 HD11 ILE 10 HD11 ILE 10 11.165 7.005 -15.929 69 HD12 ILE 10 HD12 ILE 10 10.917 7.070 -14.186 70 HD13 ILE 10 HD13 ILE 10 12.179 8.050 -14.933 71 H CYS 11 HN CYS 11 8.751 11.585 -11.843 72 HA CYS 11 HA CYS 11 9.769 14.366 -12.077 73 HB2 CYS 11 HB2 CYS 11 7.871 12.911 -10.302 74 HB3 CYS 11 HB1 CYS 11 8.780 14.207 -9.538 75 H SER 12 HN SER 12 10.573 15.000 -9.670 76 HA SER 12 HA SER 12 12.620 13.052 -8.744 77 HB2 SER 12 HB2 SER 12 13.595 15.827 -8.724 78 HB3 SER 12 HB1 SER 12 14.388 14.377 -9.330 79 HG SER 12 HG SER 12 13.071 16.318 -10.669 80 H LEU 13 HN LEU 13 13.249 13.488 -6.567 81 HA LEU 13 HA LEU 13 11.279 14.009 -4.696 82 HB2 LEU 13 HB2 LEU 13 13.403 13.105 -4.031 83 HB3 LEU 13 HB1 LEU 13 14.263 14.518 -4.624 84 HG LEU 13 HG LEU 13 13.392 15.891 -2.862 85 HD11 LEU 13 HD11 LEU 13 11.122 15.224 -2.693 86 HD12 LEU 13 HD12 LEU 13 11.820 14.742 -1.150 87 HD13 LEU 13 HD13 LEU 13 11.553 13.542 -2.414 88 HD21 LEU 13 HD21 LEU 13 14.201 14.724 -0.877 89 HD22 LEU 13 HD22 LEU 13 15.244 14.367 -2.254 90 HD23 LEU 13 HD23 LEU 13 14.062 13.176 -1.709 91 H TYR 14 HN TYR 14 13.799 16.266 -5.597 92 HA TYR 14 HA TYR 14 12.942 18.595 -4.349 93 HB2 TYR 14 HB2 TYR 14 13.966 18.729 -7.169 94 HB3 TYR 14 HB1 TYR 14 14.390 19.734 -5.787 95 HD1 TYR 14 HD1 TYR 14 15.496 18.475 -3.737 96 HD2 TYR 14 HD2 TYR 14 15.372 16.986 -7.741 97 HE1 TYR 14 HE1 TYR 14 17.396 16.959 -3.229 98 HE2 TYR 14 HE2 TYR 14 17.260 15.469 -7.256 99 HH TYR 14 HH TYR 14 19.219 15.791 -4.552 100 H GLN 15 HN GLN 15 11.935 17.345 -7.503 101 HA GLN 15 HA GLN 15 10.064 19.483 -8.027 102 HB2 GLN 15 HB2 GLN 15 10.226 16.639 -9.048 103 HB3 GLN 15 HB1 GLN 15 9.000 17.780 -9.585 104 HG2 GLN 15 HG2 GLN 15 10.894 19.352 -10.194 105 HG3 GLN 15 HG1 GLN 15 11.997 18.009 -9.905 106 HE21 GLN 15 HE21 GLN 15 8.803 18.286 -11.486 107 HE22 GLN 15 HE22 GLN 15 9.279 17.519 -12.916 108 H LEU 16 HN LEU 16 9.944 16.466 -6.206 109 HA LEU 16 HA LEU 16 7.069 16.637 -5.789 110 HB2 LEU 16 HB2 LEU 16 9.233 14.876 -4.881 111 HB3 LEU 16 HB1 LEU 16 8.020 15.141 -3.647 112 HG LEU 16 HG LEU 16 6.271 14.504 -5.333 113 HD11 LEU 16 HD11 LEU 16 7.082 13.251 -7.317 114 HD12 LEU 16 HD12 LEU 16 8.725 13.759 -6.926 115 HD13 LEU 16 HD13 LEU 16 7.509 14.961 -7.363 116 HD21 LEU 16 HD21 LEU 16 8.433 12.627 -4.404 117 HD22 LEU 16 HD22 LEU 16 7.101 12.020 -5.384 118 HD23 LEU 16 HD23 LEU 16 6.772 12.785 -3.830 119 H GLU 17 HN GLU 17 9.939 17.732 -4.149 120 HA GLU 17 HA GLU 17 8.729 18.534 -1.732 121 HB2 GLU 17 HB2 GLU 17 11.115 19.679 -3.175 122 HB3 GLU 17 HB1 GLU 17 10.678 19.988 -1.509 123 HG2 GLU 17 HG2 GLU 17 10.721 17.337 -1.343 124 HG3 GLU 17 HG1 GLU 17 11.767 17.481 -2.731 125 H ASN 18 HN ASN 18 9.201 20.131 -4.771 126 HA ASN 18 HA ASN 18 8.595 22.785 -4.199 127 HB2 ASN 18 HB2 ASN 18 8.303 20.979 -6.528 128 HB3 ASN 18 HB1 ASN 18 7.263 22.386 -6.585 129 HD21 ASN 18 HD21 ASN 18 10.220 21.365 -7.623 130 HD22 ASN 18 HD22 ASN 18 11.056 22.841 -7.647 131 H TYR 19 HN TYR 19 6.406 20.104 -4.566 132 HA TYR 19 HA TYR 19 4.022 21.792 -4.298 133 HB2 TYR 19 HB2 TYR 19 4.217 18.789 -4.357 134 HB3 TYR 19 HB1 TYR 19 2.823 19.775 -4.769 135 HD1 TYR 19 HD1 TYR 19 3.440 21.714 -6.551 136 HD2 TYR 19 HD2 TYR 19 5.447 17.977 -6.161 137 HE1 TYR 19 HE1 TYR 19 4.254 21.934 -8.882 138 HE2 TYR 19 HE2 TYR 19 6.301 18.181 -8.490 139 HH TYR 19 HH TYR 19 5.805 21.118 -10.362 140 H CYS 20 HN CYS 20 6.103 20.674 -1.920 141 HA CYS 20 HA CYS 20 4.072 19.625 -0.121 142 HB2 CYS 20 HB2 CYS 20 6.732 20.810 0.605 143 HB3 CYS 20 HB1 CYS 20 5.734 19.811 1.583 144 H ASN 21 HN ASN 21 2.562 21.431 -0.575 145 HA ASN 21 HA ASN 21 1.470 23.407 0.052 146 HB2 ASN 21 HB2 ASN 21 1.453 22.293 2.215 147 HB3 ASN 21 HB1 ASN 21 3.090 22.845 2.548 148 HD21 ASN 21 HD21 ASN 21 -0.285 23.811 2.485 149 HD22 ASN 21 HD22 ASN 21 -0.051 25.368 3.120 150 H1 PHE 22 HT1 PHE 22 16.584 8.350 -3.381 151 H2 PHE 22 HT2 PHE 22 16.322 10.014 -3.162 152 H3 PHE 22 HT3 PHE 22 16.656 9.400 -4.711 153 HA PHE 22 HA PHE 22 14.255 8.698 -3.118 154 HB2 PHE 22 HB2 PHE 22 14.618 11.154 -4.019 155 HB3 PHE 22 HB1 PHE 22 14.224 10.443 -5.580 156 HD1 PHE 22 HD1 PHE 22 12.990 10.532 -2.038 157 HD2 PHE 22 HD2 PHE 22 11.952 10.268 -6.200 158 HE1 PHE 22 HE1 PHE 22 10.586 10.611 -1.445 159 HE2 PHE 22 HE2 PHE 22 9.547 10.347 -5.604 160 HZ PHE 22 HZ PHE 22 8.859 10.518 -3.225 161 H VAL 23 HN VAL 23 13.194 8.998 -6.108 162 HA VAL 23 HA VAL 23 14.344 6.527 -7.257 163 HB VAL 23 HB VAL 23 12.620 5.640 -5.823 164 HG11 VAL 23 HG11 VAL 23 11.388 7.731 -5.502 165 HG12 VAL 23 HG12 VAL 23 10.296 6.449 -6.023 166 HG13 VAL 23 HG13 VAL 23 10.831 7.673 -7.173 167 HG21 VAL 23 HG21 VAL 23 12.823 4.866 -8.284 168 HG22 VAL 23 HG22 VAL 23 11.347 5.791 -8.564 169 HG23 VAL 23 HG23 VAL 23 11.341 4.444 -7.428 170 H ASN 24 HN ASN 24 13.420 6.105 -9.437 171 HA ASN 24 HA ASN 24 12.500 8.615 -10.805 172 HB2 ASN 24 HB2 ASN 24 14.523 6.516 -11.607 173 HB3 ASN 24 HB1 ASN 24 13.721 7.510 -12.820 174 HD21 ASN 24 HD21 ASN 24 14.129 9.865 -12.756 175 HD22 ASN 24 HD22 ASN 24 15.478 10.484 -11.933 176 H GLN 25 HN GLN 25 10.368 7.519 -10.151 177 HA GLN 25 HA GLN 25 9.594 5.425 -12.165 178 HB2 GLN 25 HB2 GLN 25 8.973 5.815 -9.259 179 HB3 GLN 25 HB1 GLN 25 7.699 5.136 -10.258 180 HG2 GLN 25 HG2 GLN 25 9.220 3.349 -11.003 181 HG3 GLN 25 HG1 GLN 25 10.525 4.045 -10.043 182 HE21 GLN 25 HE21 GLN 25 8.395 4.768 -7.909 183 HE22 GLN 25 HE22 GLN 25 8.143 3.305 -7.090 184 H HIS 26 HN HIS 26 7.194 5.490 -12.612 185 HA HIS 26 HA HIS 26 6.374 8.280 -13.212 186 HB2 HIS 26 HB2 HIS 26 5.547 5.537 -14.161 187 HB3 HIS 26 HB1 HIS 26 4.426 6.882 -14.354 188 HD2 HIS 26 HD2 HIS 26 8.060 5.894 -15.612 189 HE1 HIS 26 HE1 HIS 26 6.542 8.969 -18.078 190 HE2 HIS 26 HE2 HIS 26 8.464 7.339 -17.736 191 H LEU 27 HN LEU 27 5.729 8.986 -11.148 192 HA LEU 27 HA LEU 27 3.885 7.368 -9.545 193 HB2 LEU 27 HB2 LEU 27 4.590 10.267 -9.059 194 HB3 LEU 27 HB1 LEU 27 4.086 9.037 -7.912 195 HG LEU 27 HG LEU 27 6.670 8.773 -9.448 196 HD11 LEU 27 HD11 LEU 27 6.205 10.067 -6.747 197 HD12 LEU 27 HD12 LEU 27 6.757 10.886 -8.208 198 HD13 LEU 27 HD13 LEU 27 7.785 9.682 -7.430 199 HD21 LEU 27 HD21 LEU 27 5.814 6.739 -8.386 200 HD22 LEU 27 HD22 LEU 27 5.598 7.600 -6.862 201 HD23 LEU 27 HD23 LEU 27 7.219 7.321 -7.495 202 H CYS 28 HN CYS 28 1.680 7.726 -9.286 203 HA CYS 28 HA CYS 28 0.474 10.093 -10.633 204 HB2 CYS 28 HB2 CYS 28 -0.514 7.265 -11.086 205 HB3 CYS 28 HB1 CYS 28 -1.156 8.740 -11.810 206 H GLY 29 HN GLY 29 -0.894 11.018 -9.285 207 HA2 GLY 29 HA2 GLY 29 -2.116 11.351 -7.298 208 HA3 GLY 29 HA1 GLY 29 -3.073 10.057 -7.991 209 H SER 30 HN SER 30 -3.204 8.173 -6.868 210 HA SER 30 HA SER 30 -2.574 7.830 -4.244 211 HB2 SER 30 HB2 SER 30 -2.424 5.681 -6.370 212 HB3 SER 30 HB1 SER 30 -2.514 5.368 -4.640 213 HG SER 30 HG SER 30 -4.393 6.951 -6.058 214 H ASP 31 HN ASP 31 -0.378 6.521 -6.772 215 HA ASP 31 HA ASP 31 1.711 5.939 -4.906 216 HB2 ASP 31 HB2 ASP 31 2.243 6.608 -7.799 217 HB3 ASP 31 HB1 ASP 31 3.020 5.399 -6.778 218 H LEU 32 HN LEU 32 1.111 8.738 -6.994 219 HA LEU 32 HA LEU 32 3.498 10.176 -6.272 220 HB2 LEU 32 HB2 LEU 32 2.334 10.715 -8.309 221 HB3 LEU 32 HB1 LEU 32 0.828 10.983 -7.440 222 HG LEU 32 HG LEU 32 1.752 12.975 -6.366 223 HD11 LEU 32 HD11 LEU 32 4.016 12.834 -6.013 224 HD12 LEU 32 HD12 LEU 32 4.111 13.632 -7.576 225 HD13 LEU 32 HD13 LEU 32 4.309 11.903 -7.475 226 HD21 LEU 32 HD21 LEU 32 1.485 14.311 -8.241 227 HD22 LEU 32 HD22 LEU 32 0.858 12.808 -8.889 228 HD23 LEU 32 HD23 LEU 32 2.501 13.301 -9.252 229 H VAL 33 HN VAL 33 0.147 10.894 -5.383 230 HA VAL 33 HA VAL 33 0.479 12.771 -3.417 231 HB VAL 33 HB VAL 33 -1.312 10.330 -3.465 232 HG11 VAL 33 HG11 VAL 33 -1.006 12.456 -1.385 233 HG12 VAL 33 HG12 VAL 33 -1.404 10.757 -1.188 234 HG13 VAL 33 HG13 VAL 33 -2.633 11.891 -1.747 235 HG21 VAL 33 HG21 VAL 33 -2.979 11.846 -4.257 236 HG22 VAL 33 HG22 VAL 33 -1.519 12.181 -5.188 237 HG23 VAL 33 HG23 VAL 33 -1.985 13.247 -3.862 238 H GLU 34 HN GLU 34 0.490 9.265 -2.834 239 HA GLU 34 HA GLU 34 1.398 9.336 -0.153 240 HB2 GLU 34 HB2 GLU 34 1.863 7.299 -2.354 241 HB3 GLU 34 HB1 GLU 34 2.390 7.040 -0.690 242 HG2 GLU 34 HG2 GLU 34 0.073 7.330 0.095 243 HG3 GLU 34 HG1 GLU 34 -0.461 7.594 -1.564 244 H ALA 35 HN ALA 35 3.160 9.455 -3.219 245 HA ALA 35 HA ALA 35 5.815 9.409 -2.144 246 HB1 ALA 35 HB1 ALA 35 6.536 10.085 -4.270 247 HB2 ALA 35 HB2 ALA 35 5.142 11.129 -4.537 248 HB3 ALA 35 HB3 ALA 35 4.977 9.383 -4.668 249 H LEU 36 HN LEU 36 3.402 12.009 -2.532 250 HA LEU 36 HA LEU 36 5.284 14.029 -1.668 251 HB2 LEU 36 HB2 LEU 36 2.296 13.969 -1.898 252 HB3 LEU 36 HB1 LEU 36 3.175 15.386 -1.327 253 HG LEU 36 HG LEU 36 3.852 14.019 -3.952 254 HD11 LEU 36 HD11 LEU 36 1.510 15.646 -3.289 255 HD12 LEU 36 HD12 LEU 36 1.865 14.702 -4.724 256 HD13 LEU 36 HD13 LEU 36 2.463 16.346 -4.578 257 HD21 LEU 36 HD21 LEU 36 4.646 16.490 -4.380 258 HD22 LEU 36 HD22 LEU 36 5.643 15.469 -3.357 259 HD23 LEU 36 HD23 LEU 36 4.573 16.660 -2.630 260 H TYR 37 HN TYR 37 2.450 12.526 -0.082 261 HA TYR 37 HA TYR 37 2.751 13.535 2.505 262 HB2 TYR 37 HB2 TYR 37 0.931 11.994 1.814 263 HB3 TYR 37 HB1 TYR 37 2.094 10.666 1.766 264 HD1 TYR 37 HD2 TYR 37 3.272 9.959 3.848 265 HD2 TYR 37 HD1 TYR 37 0.079 12.817 3.876 266 HE1 TYR 37 HE2 TYR 37 3.017 9.641 6.296 267 HE2 TYR 37 HE1 TYR 37 -0.179 12.513 6.320 268 HH TYR 37 HH TYR 37 2.132 10.810 8.216 269 H LEU 38 HN LEU 38 4.648 11.146 0.820 270 HA LEU 38 HA LEU 38 6.191 10.280 3.117 271 HB2 LEU 38 HB2 LEU 38 5.882 8.861 1.154 272 HB3 LEU 38 HB1 LEU 38 6.615 10.061 0.114 273 HG LEU 38 HG LEU 38 8.126 8.957 2.474 274 HD11 LEU 38 HD11 LEU 38 9.133 7.310 0.773 275 HD12 LEU 38 HD12 LEU 38 7.715 7.651 -0.218 276 HD13 LEU 38 HD13 LEU 38 7.521 6.939 1.384 277 HD21 LEU 38 HD21 LEU 38 9.513 10.573 1.613 278 HD22 LEU 38 HD22 LEU 38 8.771 10.535 0.018 279 HD23 LEU 38 HD23 LEU 38 9.952 9.312 0.470 280 H VAL 39 HN VAL 39 6.683 12.427 0.350 281 HA VAL 39 HA VAL 39 9.291 13.381 1.212 282 HB VAL 39 HB VAL 39 7.282 14.260 -0.868 283 HG11 VAL 39 HG11 VAL 39 9.890 15.556 -0.139 284 HG12 VAL 39 HG12 VAL 39 8.301 16.311 -0.262 285 HG13 VAL 39 HG13 VAL 39 9.121 15.755 -1.712 286 HG21 VAL 39 HG21 VAL 39 9.965 12.907 -0.932 287 HG22 VAL 39 HG22 VAL 39 9.221 13.599 -2.371 288 HG23 VAL 39 HG23 VAL 39 8.433 12.285 -1.514 289 H CYS 40 HN CYS 40 6.175 15.058 0.863 290 HA CYS 40 HA CYS 40 6.933 17.376 2.352 291 HB2 CYS 40 HB2 CYS 40 4.168 16.285 1.866 292 HB3 CYS 40 HB1 CYS 40 4.607 17.965 2.110 293 H GLY 41 HN GLY 41 4.899 14.573 3.291 294 HA2 GLY 41 HA2 GLY 41 4.372 13.765 5.425 295 HA3 GLY 41 HA1 GLY 41 5.778 14.640 6.020 296 H GLU 42 HN GLU 42 5.289 16.171 7.486 297 HA GLU 42 HA GLU 42 2.605 16.896 8.133 298 HB2 GLU 42 HB2 GLU 42 4.349 16.988 9.811 299 HB3 GLU 42 HB1 GLU 42 5.237 18.192 8.877 300 HG2 GLU 42 HG2 GLU 42 3.584 19.861 9.252 301 HG3 GLU 42 HG1 GLU 42 2.407 18.676 9.821 302 H ARG 43 HN ARG 43 5.104 18.684 6.309 303 HA ARG 43 HA ARG 43 3.828 21.144 6.074 304 HB2 ARG 43 HB2 ARG 43 5.075 19.929 3.614 305 HB3 ARG 43 HB1 ARG 43 5.172 21.584 4.214 306 HG2 ARG 43 HG2 ARG 43 6.466 20.693 6.183 307 HG3 ARG 43 HG1 ARG 43 6.538 19.146 5.342 308 HD2 ARG 43 HD2 ARG 43 7.332 21.363 3.579 309 HD3 ARG 43 HD1 ARG 43 8.330 21.255 5.008 310 HE ARG 43 HE ARG 43 8.084 18.629 4.040 311 HH11 ARG 43 HH21 ARG 43 9.177 21.705 2.936 312 HH12 ARG 43 HH22 ARG 43 10.332 21.044 1.827 313 HH21 ARG 43 HH11 ARG 43 9.584 17.747 2.600 314 HH22 ARG 43 HH12 ARG 43 10.562 18.803 1.637 315 H GLY 44 HN GLY 44 2.695 18.114 4.816 316 HA2 GLY 44 HA2 GLY 44 0.648 17.695 3.685 317 HA3 GLY 44 HA1 GLY 44 0.277 19.421 3.820 318 H PHE 45 HN PHE 45 -0.383 18.752 1.369 319 HA PHE 45 HA PHE 45 1.715 19.931 -0.272 320 HB2 PHE 45 HB2 PHE 45 1.923 17.861 -1.736 321 HB3 PHE 45 HB1 PHE 45 2.693 17.784 -0.163 322 HD1 PHE 45 HD1 PHE 45 -0.221 16.683 -2.121 323 HD2 PHE 45 HD2 PHE 45 1.908 16.338 1.565 324 HE1 PHE 45 HE1 PHE 45 -1.566 14.675 -1.534 325 HE2 PHE 45 HE2 PHE 45 0.584 14.333 2.163 326 HZ PHE 45 HZ PHE 45 -1.148 13.502 0.616 327 H 23F 46 HN 23F 46 0.993 19.880 -2.828 328 HB 23F 46 HB 23F 46 -2.128 21.394 -4.601 329 HD1 23F 46 HD1 23F 46 1.146 21.740 -2.371 330 HD2 23F 46 HD2 23F 46 -1.859 23.762 -4.916 331 HE1 23F 46 HE1 23F 46 2.386 23.901 -2.156 332 HE2 23F 46 HE2 23F 46 -0.611 25.847 -4.671 333 HZ 23F 46 HZ 23F 46 1.516 25.977 -3.304 334 H TYR 47 HN TYR 47 -3.269 19.027 -2.405 335 HA TYR 47 HA TYR 47 -4.228 17.552 -4.645 336 HB2 TYR 47 HB2 TYR 47 -2.123 16.164 -3.210 337 HB3 TYR 47 HB1 TYR 47 -3.620 15.312 -2.920 338 HD1 TYR 47 HD2 TYR 47 -5.147 15.079 -5.124 339 HD2 TYR 47 HD1 TYR 47 -0.864 15.522 -5.107 340 HE1 TYR 47 HE2 TYR 47 -5.027 14.024 -7.362 341 HE2 TYR 47 HE1 TYR 47 -0.757 14.452 -7.337 342 HH TYR 47 HH TYR 47 -3.431 12.843 -8.750 343 H THR 48 HN THR 48 -6.108 18.604 -3.839 344 HA THR 48 HA THR 48 -7.056 17.961 -1.125 345 HB THR 48 HB THR 48 -7.376 20.222 -2.165 346 HG1 THR 48 HG1 THR 48 -9.438 20.413 -1.370 347 HG21 THR 48 HG21 THR 48 -9.525 18.909 -3.828 348 HG22 THR 48 HG22 THR 48 -7.900 19.180 -4.458 349 HG23 THR 48 HG23 THR 48 -8.892 20.550 -3.958 350 H LYS 49 HN LYS 49 -7.462 16.711 -4.332 351 HA LYS 49 HA LYS 49 -8.870 15.011 -5.160 352 HB2 LYS 49 HB2 LYS 49 -9.213 14.249 -2.261 353 HB3 LYS 49 HB1 LYS 49 -9.294 13.206 -3.680 354 HG2 LYS 49 HG2 LYS 49 -6.867 13.850 -4.132 355 HG3 LYS 49 HG1 LYS 49 -6.850 14.547 -2.512 356 HD2 LYS 49 HD2 LYS 49 -7.456 11.660 -3.219 357 HD3 LYS 49 HD1 LYS 49 -6.002 12.256 -2.420 358 HE2 LYS 49 HE2 LYS 49 -7.310 11.498 -0.620 359 HE3 LYS 49 HE1 LYS 49 -7.657 13.226 -0.647 360 HZ1 LYS 49 HZ1 LYS 49 -9.774 12.830 -1.129 361 HZ2 LYS 49 HZ2 LYS 49 -9.482 11.187 -0.808 362 HZ3 LYS 49 HZ3 LYS 49 -9.376 11.778 -2.398 363 HA PRO 50 HA PRO 50 -12.479 17.651 -3.912 364 HB2 PRO 50 HB2 PRO 50 -13.161 17.343 -6.772 365 HB3 PRO 50 HB1 PRO 50 -13.017 18.826 -5.816 366 HG2 PRO 50 HG2 PRO 50 -11.155 18.013 -7.706 367 HG3 PRO 50 HG1 PRO 50 -10.790 19.088 -6.346 368 HD2 PRO 50 HD2 PRO 50 -10.045 16.241 -6.713 369 HD3 PRO 50 HD1 PRO 50 -9.312 17.463 -5.661 370 H THR 51 HN THR 51 -13.078 15.410 -6.623 371 HA THR 51 HA THR 51 -14.318 13.395 -4.951 372 HB THR 51 HB THR 51 -16.065 15.163 -4.855 373 HG1 THR 51 HG1 THR 51 -16.635 12.854 -6.393 374 HG21 THR 51 HG21 THR 51 -15.437 16.083 -7.148 375 HG22 THR 51 HG22 THR 51 -17.165 15.941 -6.828 376 HG23 THR 51 HG23 THR 51 -16.353 14.742 -7.834 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -1.241 20.372 -12.616 2 H2 GLY 1 HT2 GLY 1 -0.360 20.556 -11.175 3 H3 GLY 1 HT3 GLY 1 -0.796 19.005 -11.713 4 HA2 GLY 1 HA2 GLY 1 0.548 20.070 -13.922 5 HA3 GLY 1 HA1 GLY 1 1.469 20.477 -12.449 6 H ILE 2 HN ILE 2 1.279 18.883 -10.522 7 HA ILE 2 HA ILE 2 3.875 17.803 -11.000 8 HB ILE 2 HB ILE 2 3.086 18.229 -8.744 9 HG12 ILE 2 HG12 ILE 2 3.461 15.239 -9.186 10 HG13 ILE 2 HG11 ILE 2 4.746 16.422 -9.026 11 HG21 ILE 2 HG21 ILE 2 0.936 16.227 -9.451 12 HG22 ILE 2 HG22 ILE 2 0.747 17.878 -8.879 13 HG23 ILE 2 HG23 ILE 2 1.311 16.630 -7.779 14 HD11 ILE 2 HD11 ILE 2 4.627 15.664 -6.857 15 HD12 ILE 2 HD12 ILE 2 2.898 15.343 -6.966 16 HD13 ILE 2 HD13 ILE 2 3.474 16.993 -6.786 17 H VAL 3 HN VAL 3 0.666 16.509 -11.585 18 HA VAL 3 HA VAL 3 1.348 13.760 -11.793 19 HB VAL 3 HB VAL 3 -0.780 15.357 -13.242 20 HG11 VAL 3 HG11 VAL 3 -0.437 13.232 -14.373 21 HG12 VAL 3 HG12 VAL 3 -1.909 13.126 -13.409 22 HG13 VAL 3 HG13 VAL 3 -0.423 12.377 -12.831 23 HG21 VAL 3 HG21 VAL 3 -1.036 15.529 -10.850 24 HG22 VAL 3 HG22 VAL 3 -0.708 13.810 -10.636 25 HG23 VAL 3 HG23 VAL 3 -2.205 14.333 -11.408 26 H GLU 4 HN GLU 4 1.208 16.238 -14.389 27 HA GLU 4 HA GLU 4 1.886 14.598 -16.560 28 HB2 GLU 4 HB2 GLU 4 1.324 16.912 -16.922 29 HB3 GLU 4 HB1 GLU 4 2.707 17.453 -15.973 30 HG2 GLU 4 HG2 GLU 4 4.251 16.887 -17.636 31 HG3 GLU 4 HG1 GLU 4 3.180 15.702 -18.379 32 H GLN 5 HN GLN 5 4.302 16.561 -14.773 33 HA GLN 5 HA GLN 5 6.503 15.297 -16.013 34 HB2 GLN 5 HB2 GLN 5 6.396 16.655 -13.307 35 HB3 GLN 5 HB1 GLN 5 7.867 16.286 -14.204 36 HG2 GLN 5 HG2 GLN 5 7.463 18.517 -14.810 37 HG3 GLN 5 HG1 GLN 5 6.735 17.629 -16.145 38 HE21 GLN 5 HE21 GLN 5 5.550 18.331 -12.822 39 HE22 GLN 5 HE22 GLN 5 4.095 19.045 -13.327 40 H CYS 6 HN CYS 6 4.862 14.469 -12.966 41 HA CYS 6 HA CYS 6 6.813 12.350 -12.380 42 HB2 CYS 6 HB2 CYS 6 4.196 12.773 -10.968 43 HB3 CYS 6 HB1 CYS 6 5.708 12.166 -10.295 44 H CYS 7 HN CYS 7 3.339 12.416 -13.257 45 HA CYS 7 HA CYS 7 3.286 9.487 -13.369 46 HB2 CYS 7 HB2 CYS 7 1.337 10.867 -12.632 47 HB3 CYS 7 HB1 CYS 7 1.175 11.457 -14.282 48 H THR 8 HN THR 8 2.837 12.068 -15.848 49 HA THR 8 HA THR 8 2.864 10.151 -18.015 50 HB THR 8 HB THR 8 3.621 13.059 -18.328 51 HG1 THR 8 HG1 THR 8 1.007 12.681 -18.590 52 HG21 THR 8 HG21 THR 8 2.009 11.119 -19.996 53 HG22 THR 8 HG22 THR 8 3.668 11.627 -20.314 54 HG23 THR 8 HG23 THR 8 2.352 12.796 -20.422 55 H SER 9 HN SER 9 5.289 11.942 -16.277 56 HA SER 9 HA SER 9 7.433 10.486 -17.771 57 HB2 SER 9 HB2 SER 9 7.408 13.414 -17.002 58 HB3 SER 9 HB1 SER 9 8.839 12.560 -17.546 59 HG SER 9 HG SER 9 6.427 13.043 -18.956 60 H ILE 10 HN ILE 10 9.560 10.728 -16.325 61 HA ILE 10 HA ILE 10 8.713 9.966 -13.598 62 HB ILE 10 HB ILE 10 11.516 10.060 -14.758 63 HG12 ILE 10 HG12 ILE 10 9.345 7.950 -14.765 64 HG13 ILE 10 HG11 ILE 10 10.362 8.485 -16.099 65 HG21 ILE 10 HG21 ILE 10 10.455 8.475 -12.398 66 HG22 ILE 10 HG22 ILE 10 11.205 10.058 -12.212 67 HG23 ILE 10 HG23 ILE 10 12.138 8.717 -12.861 68 HD11 ILE 10 HD11 ILE 10 11.306 6.411 -15.547 69 HD12 ILE 10 HD12 ILE 10 11.045 6.645 -13.819 70 HD13 ILE 10 HD13 ILE 10 12.326 7.533 -14.645 71 H CYS 11 HN CYS 11 8.960 11.234 -11.818 72 HA CYS 11 HA CYS 11 9.955 14.012 -12.237 73 HB2 CYS 11 HB2 CYS 11 7.992 12.699 -10.427 74 HB3 CYS 11 HB1 CYS 11 8.903 14.020 -9.712 75 H SER 12 HN SER 12 10.701 14.799 -9.852 76 HA SER 12 HA SER 12 12.726 12.911 -8.765 77 HB2 SER 12 HB2 SER 12 13.936 15.474 -8.747 78 HB3 SER 12 HB1 SER 12 14.398 14.111 -9.754 79 HG SER 12 HG SER 12 12.207 15.706 -10.485 80 H LEU 13 HN LEU 13 13.254 13.411 -6.593 81 HA LEU 13 HA LEU 13 11.284 14.086 -4.797 82 HB2 LEU 13 HB2 LEU 13 13.397 13.214 -4.050 83 HB3 LEU 13 HB1 LEU 13 14.269 14.592 -4.706 84 HG LEU 13 HG LEU 13 13.373 16.060 -3.039 85 HD11 LEU 13 HD11 LEU 13 11.767 15.016 -1.292 86 HD12 LEU 13 HD12 LEU 13 11.516 13.748 -2.491 87 HD13 LEU 13 HD13 LEU 13 11.098 15.413 -2.873 88 HD21 LEU 13 HD21 LEU 13 14.029 13.407 -1.743 89 HD22 LEU 13 HD22 LEU 13 14.124 14.989 -0.968 90 HD23 LEU 13 HD23 LEU 13 15.210 14.592 -2.301 91 H TYR 14 HN TYR 14 13.828 16.283 -5.796 92 HA TYR 14 HA TYR 14 12.947 18.677 -4.681 93 HB2 TYR 14 HB2 TYR 14 14.034 18.654 -7.481 94 HB3 TYR 14 HB1 TYR 14 14.403 19.756 -6.158 95 HD1 TYR 14 HD1 TYR 14 15.442 18.629 -3.985 96 HD2 TYR 14 HD2 TYR 14 15.508 16.931 -7.903 97 HE1 TYR 14 HE1 TYR 14 17.347 17.181 -3.322 98 HE2 TYR 14 HE2 TYR 14 17.396 15.479 -7.267 99 HH TYR 14 HH TYR 14 18.401 15.115 -3.992 100 H GLN 15 HN GLN 15 12.008 17.267 -7.790 101 HA GLN 15 HA GLN 15 10.145 19.373 -8.454 102 HB2 GLN 15 HB2 GLN 15 10.325 16.481 -9.329 103 HB3 GLN 15 HB1 GLN 15 9.090 17.580 -9.928 104 HG2 GLN 15 HG2 GLN 15 10.983 19.139 -10.600 105 HG3 GLN 15 HG1 GLN 15 12.085 17.810 -10.256 106 HE21 GLN 15 HE21 GLN 15 8.868 17.935 -11.804 107 HE22 GLN 15 HE22 GLN 15 9.353 17.147 -13.220 108 H LEU 16 HN LEU 16 9.988 16.466 -6.466 109 HA LEU 16 HA LEU 16 7.105 16.666 -6.107 110 HB2 LEU 16 HB2 LEU 16 9.248 14.955 -5.064 111 HB3 LEU 16 HB1 LEU 16 8.022 15.298 -3.863 112 HG LEU 16 HG LEU 16 6.289 14.568 -5.526 113 HD11 LEU 16 HD11 LEU 16 7.481 14.876 -7.580 114 HD12 LEU 16 HD12 LEU 16 7.170 13.149 -7.402 115 HD13 LEU 16 HD13 LEU 16 8.773 13.797 -7.052 116 HD21 LEU 16 HD21 LEU 16 7.102 12.083 -5.420 117 HD22 LEU 16 HD22 LEU 16 6.773 12.940 -3.916 118 HD23 LEU 16 HD23 LEU 16 8.435 12.738 -4.472 119 H GLU 17 HN GLU 17 9.952 17.837 -4.472 120 HA GLU 17 HA GLU 17 8.705 18.784 -2.130 121 HB2 GLU 17 HB2 GLU 17 11.122 19.835 -3.592 122 HB3 GLU 17 HB1 GLU 17 10.657 20.240 -1.954 123 HG2 GLU 17 HG2 GLU 17 10.681 17.600 -1.643 124 HG3 GLU 17 HG1 GLU 17 11.757 17.665 -3.012 125 H ASN 18 HN ASN 18 9.231 20.206 -5.245 126 HA ASN 18 HA ASN 18 8.632 22.891 -4.835 127 HB2 ASN 18 HB2 ASN 18 8.360 20.955 -7.059 128 HB3 ASN 18 HB1 ASN 18 7.326 22.360 -7.211 129 HD21 ASN 18 HD21 ASN 18 10.259 21.287 -8.207 130 HD22 ASN 18 HD22 ASN 18 11.115 22.750 -8.283 131 H TYR 19 HN TYR 19 6.432 20.206 -5.084 132 HA TYR 19 HA TYR 19 4.054 21.916 -4.946 133 HB2 TYR 19 HB2 TYR 19 4.239 18.913 -4.829 134 HB3 TYR 19 HB1 TYR 19 2.853 19.877 -5.313 135 HD1 TYR 19 HD1 TYR 19 3.490 21.706 -7.196 136 HD2 TYR 19 HD2 TYR 19 5.495 18.001 -6.568 137 HE1 TYR 19 HE1 TYR 19 4.326 21.790 -9.529 138 HE2 TYR 19 HE2 TYR 19 6.373 18.070 -8.896 139 HH TYR 19 HH TYR 19 5.440 20.698 -11.114 140 H CYS 20 HN CYS 20 6.099 20.929 -2.480 141 HA CYS 20 HA CYS 20 4.027 20.011 -0.649 142 HB2 CYS 20 HB2 CYS 20 6.695 21.183 0.057 143 HB3 CYS 20 HB1 CYS 20 5.663 20.245 1.057 144 H ASN 21 HN ASN 21 2.558 21.825 -1.202 145 HA ASN 21 HA ASN 21 1.553 23.894 -0.721 146 HB2 ASN 21 HB2 ASN 21 1.420 22.735 1.456 147 HB3 ASN 21 HB1 ASN 21 3.003 23.371 1.888 148 HD21 ASN 21 HD21 ASN 21 0.260 23.914 3.112 149 HD22 ASN 21 HD22 ASN 21 0.104 25.604 3.078 150 H1 PHE 22 HT1 PHE 22 16.273 9.935 -2.687 151 H2 PHE 22 HT2 PHE 22 16.575 9.715 -4.344 152 H3 PHE 22 HT3 PHE 22 16.578 8.381 -3.292 153 HA PHE 22 HA PHE 22 14.194 8.862 -2.803 154 HB2 PHE 22 HB2 PHE 22 14.595 11.250 -3.852 155 HB3 PHE 22 HB1 PHE 22 14.228 10.445 -5.374 156 HD1 PHE 22 HD1 PHE 22 12.922 10.762 -1.872 157 HD2 PHE 22 HD2 PHE 22 11.968 10.252 -6.030 158 HE1 PHE 22 HE1 PHE 22 10.509 10.895 -1.336 159 HE2 PHE 22 HE2 PHE 22 9.551 10.383 -5.491 160 HZ PHE 22 HZ PHE 22 8.816 10.704 -3.141 161 H VAL 23 HN VAL 23 13.196 8.992 -5.830 162 HA VAL 23 HA VAL 23 14.306 6.431 -6.800 163 HB VAL 23 HB VAL 23 12.545 5.667 -5.341 164 HG11 VAL 23 HG11 VAL 23 10.241 6.511 -5.620 165 HG12 VAL 23 HG12 VAL 23 10.817 7.652 -6.835 166 HG13 VAL 23 HG13 VAL 23 11.354 7.799 -5.162 167 HG21 VAL 23 HG21 VAL 23 12.759 4.738 -7.743 168 HG22 VAL 23 HG22 VAL 23 11.312 5.681 -8.104 169 HG23 VAL 23 HG23 VAL 23 11.254 4.407 -6.887 170 H ASN 24 HN ASN 24 13.387 5.898 -8.970 171 HA ASN 24 HA ASN 24 12.516 8.340 -10.486 172 HB2 ASN 24 HB2 ASN 24 14.587 6.233 -11.120 173 HB3 ASN 24 HB1 ASN 24 13.794 7.125 -12.414 174 HD21 ASN 24 HD21 ASN 24 14.374 9.350 -12.718 175 HD22 ASN 24 HD22 ASN 24 15.597 10.111 -11.820 176 H GLN 25 HN GLN 25 10.378 7.276 -9.841 177 HA GLN 25 HA GLN 25 9.658 5.080 -11.763 178 HB2 GLN 25 HB2 GLN 25 8.971 5.612 -8.895 179 HB3 GLN 25 HB1 GLN 25 7.715 4.889 -9.886 180 HG2 GLN 25 HG2 GLN 25 9.338 3.101 -10.553 181 HG3 GLN 25 HG1 GLN 25 10.517 3.805 -9.445 182 HE21 GLN 25 HE21 GLN 25 7.724 4.434 -7.884 183 HE22 GLN 25 HE22 GLN 25 7.554 3.018 -6.963 184 H HIS 26 HN HIS 26 7.270 5.123 -12.277 185 HA HIS 26 HA HIS 26 6.479 7.878 -13.043 186 HB2 HIS 26 HB2 HIS 26 5.644 5.091 -13.843 187 HB3 HIS 26 HB1 HIS 26 4.532 6.427 -14.126 188 HD2 HIS 26 HD2 HIS 26 8.178 5.358 -15.280 189 HE1 HIS 26 HE1 HIS 26 6.696 8.285 -17.940 190 HE2 HIS 26 HE2 HIS 26 8.609 6.674 -17.481 191 H LEU 27 HN LEU 27 5.826 8.702 -11.021 192 HA LEU 27 HA LEU 27 3.930 7.208 -9.362 193 HB2 LEU 27 HB2 LEU 27 4.660 10.124 -9.040 194 HB3 LEU 27 HB1 LEU 27 4.118 8.972 -7.831 195 HG LEU 27 HG LEU 27 6.729 8.589 -9.295 196 HD11 LEU 27 HD11 LEU 27 6.132 10.164 -6.785 197 HD12 LEU 27 HD12 LEU 27 6.984 10.712 -8.229 198 HD13 LEU 27 HD13 LEU 27 7.736 9.532 -7.155 199 HD21 LEU 27 HD21 LEU 27 5.584 7.576 -6.672 200 HD22 LEU 27 HD22 LEU 27 7.219 7.249 -7.245 201 HD23 LEU 27 HD23 LEU 27 5.833 6.627 -8.138 202 H CYS 28 HN CYS 28 1.723 7.620 -9.154 203 HA CYS 28 HA CYS 28 0.574 9.910 -10.668 204 HB2 CYS 28 HB2 CYS 28 -0.446 7.076 -10.990 205 HB3 CYS 28 HB1 CYS 28 -1.035 8.518 -11.818 206 H GLY 29 HN GLY 29 -0.820 10.920 -9.406 207 HA2 GLY 29 HA2 GLY 29 -2.093 11.368 -7.475 208 HA3 GLY 29 HA1 GLY 29 -3.037 10.037 -8.115 209 H SER 30 HN SER 30 -3.199 8.222 -6.890 210 HA SER 30 HA SER 30 -2.632 8.027 -4.236 211 HB2 SER 30 HB2 SER 30 -3.896 6.285 -5.292 212 HB3 SER 30 HB1 SER 30 -2.524 5.812 -6.291 213 HG SER 30 HG SER 30 -3.162 4.810 -3.999 214 H ASP 31 HN ASP 31 -0.389 6.544 -6.623 215 HA ASP 31 HA ASP 31 1.655 6.068 -4.682 216 HB2 ASP 31 HB2 ASP 31 2.237 6.562 -7.602 217 HB3 ASP 31 HB1 ASP 31 3.009 5.427 -6.496 218 H LEU 32 HN LEU 32 1.138 8.735 -6.960 219 HA LEU 32 HA LEU 32 3.513 10.203 -6.271 220 HB2 LEU 32 HB2 LEU 32 2.387 10.626 -8.357 221 HB3 LEU 32 HB1 LEU 32 0.868 10.952 -7.533 222 HG LEU 32 HG LEU 32 1.781 13.000 -6.565 223 HD11 LEU 32 HD11 LEU 32 4.038 12.857 -6.154 224 HD12 LEU 32 HD12 LEU 32 4.169 13.574 -7.752 225 HD13 LEU 32 HD13 LEU 32 4.355 11.852 -7.562 226 HD21 LEU 32 HD21 LEU 32 2.599 13.143 -9.448 227 HD22 LEU 32 HD22 LEU 32 1.567 14.221 -8.525 228 HD23 LEU 32 HD23 LEU 32 0.941 12.685 -9.091 229 H VAL 33 HN VAL 33 0.152 10.992 -5.491 230 HA VAL 33 HA VAL 33 0.460 12.976 -3.629 231 HB VAL 33 HB VAL 33 -1.349 10.549 -3.570 232 HG11 VAL 33 HG11 VAL 33 -2.690 12.221 -1.977 233 HG12 VAL 33 HG12 VAL 33 -1.066 12.796 -1.617 234 HG13 VAL 33 HG13 VAL 33 -1.482 11.115 -1.325 235 HG21 VAL 33 HG21 VAL 33 -1.986 13.440 -4.154 236 HG22 VAL 33 HG22 VAL 33 -2.984 12.026 -4.490 237 HG23 VAL 33 HG23 VAL 33 -1.501 12.297 -5.405 238 H GLU 34 HN GLU 34 0.432 9.510 -2.846 239 HA GLU 34 HA GLU 34 1.285 9.729 -0.156 240 HB2 GLU 34 HB2 GLU 34 1.755 7.570 -2.234 241 HB3 GLU 34 HB1 GLU 34 2.298 7.402 -0.564 242 HG2 GLU 34 HG2 GLU 34 -0.046 7.812 0.196 243 HG3 GLU 34 HG1 GLU 34 -0.556 7.838 -1.491 244 H ALA 35 HN ALA 35 3.112 9.657 -3.187 245 HA ALA 35 HA ALA 35 5.744 9.664 -2.059 246 HB1 ALA 35 HB1 ALA 35 6.509 10.213 -4.207 247 HB2 ALA 35 HB2 ALA 35 5.126 11.247 -4.559 248 HB3 ALA 35 HB3 ALA 35 4.952 9.496 -4.593 249 H LEU 36 HN LEU 36 3.357 12.252 -2.646 250 HA LEU 36 HA LEU 36 5.232 14.308 -1.860 251 HB2 LEU 36 HB2 LEU 36 2.248 14.252 -2.146 252 HB3 LEU 36 HB1 LEU 36 3.126 15.694 -1.641 253 HG LEU 36 HG LEU 36 3.846 14.175 -4.168 254 HD11 LEU 36 HD11 LEU 36 1.877 14.815 -5.018 255 HD12 LEU 36 HD12 LEU 36 2.476 16.465 -4.956 256 HD13 LEU 36 HD13 LEU 36 1.499 15.848 -3.650 257 HD21 LEU 36 HD21 LEU 36 4.546 16.891 -2.993 258 HD22 LEU 36 HD22 LEU 36 4.664 16.611 -4.725 259 HD23 LEU 36 HD23 LEU 36 5.631 15.652 -3.616 260 H TYR 37 HN TYR 37 2.357 12.912 -0.249 261 HA TYR 37 HA TYR 37 2.608 14.066 2.282 262 HB2 TYR 37 HB2 TYR 37 0.796 12.492 1.637 263 HB3 TYR 37 HB1 TYR 37 1.956 11.161 1.697 264 HD1 TYR 37 HD2 TYR 37 3.091 10.591 3.850 265 HD2 TYR 37 HD1 TYR 37 -0.117 13.423 3.622 266 HE1 TYR 37 HE2 TYR 37 2.775 10.420 6.305 267 HE2 TYR 37 HE1 TYR 37 -0.435 13.267 6.074 268 HH TYR 37 HH TYR 37 1.419 12.484 8.125 269 H LEU 38 HN LEU 38 4.528 11.586 0.777 270 HA LEU 38 HA LEU 38 6.018 10.849 3.155 271 HB2 LEU 38 HB2 LEU 38 5.725 9.318 1.271 272 HB3 LEU 38 HB1 LEU 38 6.504 10.443 0.181 273 HG LEU 38 HG LEU 38 7.942 9.469 2.643 274 HD11 LEU 38 HD11 LEU 38 8.953 7.692 1.078 275 HD12 LEU 38 HD12 LEU 38 7.558 7.987 0.040 276 HD13 LEU 38 HD13 LEU 38 7.323 7.391 1.684 277 HD21 LEU 38 HD21 LEU 38 8.671 10.839 0.081 278 HD22 LEU 38 HD22 LEU 38 9.824 9.654 0.683 279 HD23 LEU 38 HD23 LEU 38 9.359 11.015 1.691 280 H VAL 39 HN VAL 39 6.616 12.785 0.248 281 HA VAL 39 HA VAL 39 9.200 13.785 1.103 282 HB VAL 39 HB VAL 39 7.226 14.566 -1.049 283 HG11 VAL 39 HG11 VAL 39 9.090 16.001 -1.945 284 HG12 VAL 39 HG12 VAL 39 9.829 15.886 -0.349 285 HG13 VAL 39 HG13 VAL 39 8.247 16.640 -0.542 286 HG21 VAL 39 HG21 VAL 39 9.898 13.191 -1.002 287 HG22 VAL 39 HG22 VAL 39 9.184 13.817 -2.486 288 HG23 VAL 39 HG23 VAL 39 8.369 12.554 -1.579 289 H CYS 40 HN CYS 40 6.099 15.454 0.623 290 HA CYS 40 HA CYS 40 6.853 17.849 1.986 291 HB2 CYS 40 HB2 CYS 40 4.084 16.755 1.527 292 HB3 CYS 40 HB1 CYS 40 4.540 18.442 1.679 293 H GLY 41 HN GLY 41 4.783 15.120 3.061 294 HA2 GLY 41 HA2 GLY 41 4.211 14.456 5.235 295 HA3 GLY 41 HA1 GLY 41 5.617 15.356 5.797 296 H GLU 42 HN GLU 42 5.061 16.901 7.227 297 HA GLU 42 HA GLU 42 2.399 17.744 7.743 298 HB2 GLU 42 HB2 GLU 42 4.276 17.916 9.360 299 HB3 GLU 42 HB1 GLU 42 4.976 19.203 8.382 300 HG2 GLU 42 HG2 GLU 42 3.779 20.344 10.076 301 HG3 GLU 42 HG1 GLU 42 2.707 20.422 8.686 302 H ARG 43 HN ARG 43 4.974 19.381 5.889 303 HA ARG 43 HA ARG 43 3.754 21.817 5.446 304 HB2 ARG 43 HB2 ARG 43 5.040 20.407 3.109 305 HB3 ARG 43 HB1 ARG 43 5.133 22.105 3.570 306 HG2 ARG 43 HG2 ARG 43 6.423 21.427 5.593 307 HG3 ARG 43 HG1 ARG 43 6.409 19.771 4.990 308 HD2 ARG 43 HD2 ARG 43 7.247 21.414 2.827 309 HD3 ARG 43 HD1 ARG 43 8.161 21.920 4.236 310 HE ARG 43 HE ARG 43 8.367 19.435 2.762 311 HH11 ARG 43 HH21 ARG 43 8.448 20.710 5.950 312 HH12 ARG 43 HH22 ARG 43 9.344 19.377 6.600 313 HH21 ARG 43 HH11 ARG 43 9.531 17.688 3.578 314 HH22 ARG 43 HH12 ARG 43 9.958 17.667 5.256 315 H GLY 44 HN GLY 44 2.558 18.750 4.390 316 HA2 GLY 44 HA2 GLY 44 0.551 18.283 3.219 317 HA3 GLY 44 HA1 GLY 44 0.190 20.015 3.262 318 H PHE 45 HN PHE 45 -0.439 19.240 0.845 319 HA PHE 45 HA PHE 45 1.679 20.321 -0.833 320 HB2 PHE 45 HB2 PHE 45 1.916 18.174 -2.174 321 HB3 PHE 45 HB1 PHE 45 2.653 18.174 -0.583 322 HD1 PHE 45 HD1 PHE 45 -0.214 16.979 -2.550 323 HD2 PHE 45 HD2 PHE 45 1.818 16.825 1.204 324 HE1 PHE 45 HE1 PHE 45 -1.582 15.008 -1.893 325 HE2 PHE 45 HE2 PHE 45 0.466 14.858 1.871 326 HZ PHE 45 HZ PHE 45 -1.227 13.950 0.325 327 H 23F 46 HN 23F 46 0.976 20.151 -3.381 328 HB 23F 46 HB 23F 46 -2.139 21.534 -5.259 329 HD1 23F 46 HD1 23F 46 1.138 22.000 -3.054 330 HD2 23F 46 HD2 23F 46 -1.877 23.884 -5.694 331 HE1 23F 46 HE1 23F 46 2.383 24.161 -2.973 332 HE2 23F 46 HE2 23F 46 -0.619 25.976 -5.576 333 HZ 23F 46 HZ 23F 46 1.517 26.174 -4.230 334 H TYR 47 HN TYR 47 -3.286 19.255 -2.948 335 HA TYR 47 HA TYR 47 -4.207 17.673 -5.128 336 HB2 TYR 47 HB2 TYR 47 -2.068 16.374 -3.677 337 HB3 TYR 47 HB1 TYR 47 -3.542 15.508 -3.320 338 HD1 TYR 47 HD2 TYR 47 -5.117 15.211 -5.515 339 HD2 TYR 47 HD1 TYR 47 -0.832 15.626 -5.530 340 HE1 TYR 47 HE2 TYR 47 -5.010 14.070 -7.713 341 HE2 TYR 47 HE1 TYR 47 -0.736 14.470 -7.715 342 HH TYR 47 HH TYR 47 -1.883 13.414 -9.292 343 H THR 48 HN THR 48 -6.329 17.857 -4.685 344 HA THR 48 HA THR 48 -7.261 17.937 -1.878 345 HB THR 48 HB THR 48 -8.163 19.546 -3.546 346 HG1 THR 48 HG1 THR 48 -9.429 18.341 -1.759 347 HG21 THR 48 HG21 THR 48 -9.500 17.149 -4.814 348 HG22 THR 48 HG22 THR 48 -8.021 17.868 -5.451 349 HG23 THR 48 HG23 THR 48 -9.506 18.816 -5.388 350 H LYS 49 HN LYS 49 -9.666 16.732 -1.891 351 HA LYS 49 HA LYS 49 -9.459 14.054 -3.100 352 HB2 LYS 49 HB2 LYS 49 -8.881 14.585 -0.250 353 HB3 LYS 49 HB1 LYS 49 -10.067 13.308 -0.498 354 HG2 LYS 49 HG2 LYS 49 -7.480 13.344 -2.049 355 HG3 LYS 49 HG1 LYS 49 -7.548 12.660 -0.429 356 HD2 LYS 49 HD2 LYS 49 -9.601 11.800 -2.461 357 HD3 LYS 49 HD1 LYS 49 -7.978 11.122 -2.548 358 HE2 LYS 49 HE2 LYS 49 -9.809 11.029 -0.129 359 HE3 LYS 49 HE1 LYS 49 -9.419 9.677 -1.190 360 HZ1 LYS 49 HZ1 LYS 49 -7.799 10.955 0.862 361 HZ2 LYS 49 HZ2 LYS 49 -6.983 10.470 -0.547 362 HZ3 LYS 49 HZ3 LYS 49 -7.849 9.333 0.371 363 HA PRO 50 HA PRO 50 -13.805 14.516 -0.818 364 HB2 PRO 50 HB2 PRO 50 -13.867 17.478 -0.686 365 HB3 PRO 50 HB1 PRO 50 -14.460 16.293 0.488 366 HG2 PRO 50 HG2 PRO 50 -12.068 17.777 0.711 367 HG3 PRO 50 HG1 PRO 50 -12.492 16.338 1.653 368 HD2 PRO 50 HD2 PRO 50 -10.432 16.569 -0.366 369 HD3 PRO 50 HD1 PRO 50 -10.872 15.157 0.604 370 H THR 51 HN THR 51 -12.744 17.352 -2.722 371 HA THR 51 HA THR 51 -13.590 18.230 -4.729 372 HB THR 51 HB THR 51 -13.941 15.350 -5.568 373 HG1 THR 51 HG1 THR 51 -11.768 15.152 -5.703 374 HG21 THR 51 HG21 THR 51 -12.638 17.647 -7.028 375 HG22 THR 51 HG22 THR 51 -14.381 17.383 -7.077 376 HG23 THR 51 HG23 THR 51 -13.284 16.151 -7.701
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