NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23270 | 2jum | 15450 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -0.005 0.539 9.734 2 H2 GLY 1 2H GLY 1 0.541 -0.544 10.923 3 H3 GLY 1 3H GLY 1 -0.493 0.736 11.348 4 HA2 GLY 1 1HA GLY 1 -1.203 -1.767 10.144 5 HA3 GLY 1 2HA GLY 1 -2.154 -0.781 11.297 6 H ILE 2 H ILE 2 -0.292 -0.869 8.121 7 HA ILE 2 HA ILE 2 -2.654 -0.266 6.522 8 HB ILE 2 HB ILE 2 -0.409 0.534 5.859 9 HG12 ILE 2 2HG1 ILE 2 -0.417 -0.705 3.488 10 HG13 ILE 2 1HG1 ILE 2 -1.948 -1.345 4.074 11 HG21 ILE 2 1HG2 ILE 2 0.156 -2.392 5.919 12 HG22 ILE 2 2HG2 ILE 2 1.108 -1.049 6.551 13 HG23 ILE 2 3HG2 ILE 2 1.059 -1.354 4.815 14 HD11 ILE 2 3HD1 ILE 2 -1.708 1.010 2.718 15 HD12 ILE 2 1HD1 ILE 2 -1.611 1.589 4.381 16 HD13 ILE 2 2HD1 ILE 2 -3.016 0.666 3.848 17 H THR 3 H THR 3 -0.957 -3.147 7.534 18 HA THR 3 HA THR 3 -2.140 -4.867 5.504 19 HB THR 3 HB THR 3 -0.877 -5.575 8.168 20 HG1 THR 3 HG1 THR 3 0.806 -4.903 7.103 21 HG21 THR 3 3HG2 THR 3 -2.301 -7.143 6.238 22 HG22 THR 3 1HG2 THR 3 -1.505 -7.682 7.716 23 HG23 THR 3 2HG2 THR 3 -0.601 -7.613 6.203 24 H GLU 4 H GLU 4 -3.020 -3.716 8.667 25 HA GLU 4 HA GLU 4 -5.294 -5.615 8.831 26 HB2 GLU 4 2HB GLU 4 -3.913 -5.092 10.867 27 HB3 GLU 4 1HB GLU 4 -4.492 -3.428 10.774 28 HG2 GLU 4 2HG GLU 4 -6.438 -3.985 11.761 29 HG3 GLU 4 1HG GLU 4 -6.712 -5.277 10.592 30 H GLN 5 H GLN 5 -5.411 -3.827 6.675 31 HA GLN 5 HA GLN 5 -7.993 -2.627 7.084 32 HB2 GLN 5 2HB GLN 5 -6.374 -0.995 8.261 33 HB3 GLN 5 1HB GLN 5 -5.798 -0.594 6.643 34 HG2 GLN 5 2HG GLN 5 -8.686 -0.603 6.681 35 HG3 GLN 5 1HG GLN 5 -8.069 0.457 7.948 36 HE21 GLN 5 1HE2 GLN 5 -9.133 0.725 4.901 37 HE22 GLN 5 2HE2 GLN 5 -8.086 1.914 4.293 38 H CYS 6 H CYS 6 -4.980 -2.462 5.178 39 HA CYS 6 HA CYS 6 -6.521 -2.001 2.717 40 HB2 CYS 6 2HB CYS 6 -3.696 -1.847 3.517 41 HB3 CYS 6 1HB CYS 6 -3.947 -2.510 1.901 42 H CYS 7 H CYS 7 -5.865 -4.655 4.557 43 HA CYS 7 HA CYS 7 -5.839 -6.424 2.153 44 HB2 CYS 7 2HB CYS 7 -3.865 -6.810 3.431 45 HB3 CYS 7 1HB CYS 7 -4.756 -6.843 4.943 46 H THR 8 H THR 8 -7.884 -5.119 4.321 47 HA THR 8 HA THR 8 -9.565 -7.581 4.529 48 HB THR 8 HB THR 8 -9.029 -6.349 6.673 49 HG1 THR 8 HG1 THR 8 -10.972 -6.823 7.366 50 HG21 THR 8 3HG2 THR 8 -10.104 -4.184 7.053 51 HG22 THR 8 1HG2 THR 8 -10.756 -4.200 5.414 52 HG23 THR 8 2HG2 THR 8 -9.016 -4.076 5.670 53 H SER 9 H SER 9 -9.168 -4.535 3.026 54 HA SER 9 HA SER 9 -11.653 -4.911 1.487 55 HG SER 9 HG SER 9 -11.095 -1.999 4.080 56 HB2 SER 9 2HB SER 9 -12.376 -2.567 1.874 57 HB3 SER 9 1HB SER 9 -12.382 -3.494 3.371 58 H ILE 10 H ILE 10 -11.574 -2.509 0.058 59 HA ILE 10 HA ILE 10 -8.896 -2.747 -1.231 60 HB ILE 10 HB ILE 10 -11.534 -1.712 -2.297 61 HG12 ILE 10 2HG1 ILE 10 -9.884 -4.084 -3.195 62 HG13 ILE 10 1HG1 ILE 10 -11.128 -4.225 -1.951 63 HG21 ILE 10 1HG2 ILE 10 -10.403 -0.746 -3.994 64 HG22 ILE 10 2HG2 ILE 10 -9.495 -2.231 -4.278 65 HG23 ILE 10 3HG2 ILE 10 -8.906 -1.047 -3.111 66 HD11 ILE 10 3HD1 ILE 10 -11.449 -4.157 -4.798 67 HD12 ILE 10 1HD1 ILE 10 -12.257 -2.753 -4.098 68 HD13 ILE 10 2HD1 ILE 10 -12.683 -4.377 -3.556 69 H CYS 11 H CYS 11 -7.640 -0.886 -1.605 70 HA CYS 11 HA CYS 11 -8.523 1.522 -0.075 71 HB2 CYS 11 2HB CYS 11 -5.668 1.183 -0.868 72 HB3 CYS 11 1HB CYS 11 -6.349 1.841 0.618 73 H SER 12 H SER 12 -6.508 3.246 -1.168 74 HA SER 12 HA SER 12 -7.160 3.378 -4.066 75 HG SER 12 HG SER 12 -8.772 6.004 -1.541 76 HB2 SER 12 2HB SER 12 -7.404 6.000 -3.382 77 HB3 SER 12 1HB SER 12 -8.771 4.905 -3.556 78 H LEU 13 H LEU 13 -5.339 3.788 -5.172 79 HA LEU 13 HA LEU 13 -2.777 4.110 -4.180 80 HG LEU 13 HG LEU 13 -2.029 5.714 -7.651 81 HB2 LEU 13 2HB LEU 13 -2.702 3.828 -6.434 82 HB3 LEU 13 1HB LEU 13 -4.167 4.745 -6.706 83 HD11 LEU 13 1HD1 LEU 13 -3.203 7.621 -7.686 84 HD12 LEU 13 2HD1 LEU 13 -2.867 7.900 -5.977 85 HD13 LEU 13 3HD1 LEU 13 -4.262 6.931 -6.455 86 HD21 LEU 13 3HD2 LEU 13 -0.267 6.015 -6.317 87 HD22 LEU 13 1HD2 LEU 13 -1.206 5.473 -4.926 88 HD23 LEU 13 2HD2 LEU 13 -1.201 7.177 -5.379 89 H TYR 14 H TYR 14 -5.223 6.592 -4.668 90 HA TYR 14 HA TYR 14 -3.772 8.941 -4.259 91 HD1 TYR 14 HD2 TYR 14 -3.996 10.736 -2.755 92 HD2 TYR 14 HD1 TYR 14 -7.582 10.253 -5.076 93 HE1 TYR 14 HE2 TYR 14 -3.977 13.158 -3.291 94 HE2 TYR 14 HE1 TYR 14 -7.560 12.676 -5.612 95 HH TYR 14 HH TYR 14 -6.643 14.761 -4.654 96 HB2 TYR 14 2HB TYR 14 -6.442 8.345 -4.254 97 HB3 TYR 14 1HB TYR 14 -6.181 8.723 -2.552 98 H GLN 15 H GLN 15 -5.279 7.068 -1.680 99 HA GLN 15 HA GLN 15 -3.700 8.271 0.414 100 HB2 GLN 15 2HB GLN 15 -5.904 7.362 0.831 101 HB3 GLN 15 1HB GLN 15 -5.376 5.760 0.352 102 HG2 GLN 15 2HG GLN 15 -3.520 6.545 2.284 103 HG3 GLN 15 1HG GLN 15 -5.068 7.106 2.917 104 HE21 GLN 15 1HE2 GLN 15 -5.997 5.531 4.226 105 HE22 GLN 15 2HE2 GLN 15 -5.927 3.859 3.943 106 H LEU 16 H LEU 16 -3.706 5.123 -1.166 107 HA LEU 16 HA LEU 16 -1.722 3.728 0.129 108 HG LEU 16 HG LEU 16 -1.022 1.829 -0.911 109 HB2 LEU 16 2HB LEU 16 -2.883 3.647 -2.462 110 HB3 LEU 16 1HB LEU 16 -1.142 3.647 -2.701 111 HD11 LEU 16 1HD1 LEU 16 -3.644 0.804 -1.458 112 HD12 LEU 16 2HD1 LEU 16 -3.793 2.432 -0.797 113 HD13 LEU 16 3HD1 LEU 16 -2.921 1.192 0.104 114 HD21 LEU 16 3HD2 LEU 16 -0.766 0.513 -2.714 115 HD22 LEU 16 1HD2 LEU 16 -1.556 1.748 -3.692 116 HD23 LEU 16 2HD2 LEU 16 -2.513 0.463 -2.955 117 H GLU 17 H GLU 17 -1.350 6.624 -1.798 118 HA GLU 17 HA GLU 17 1.539 6.341 -2.047 119 HB2 GLU 17 2HB GLU 17 0.335 7.603 -3.716 120 HB3 GLU 17 1HB GLU 17 -0.296 8.702 -2.491 121 HG2 GLU 17 2HG GLU 17 2.053 9.364 -1.946 122 HG3 GLU 17 1HG GLU 17 2.612 8.342 -3.269 123 H ASN 18 H ASN 18 -0.579 7.706 0.347 124 HA ASN 18 HA ASN 18 1.395 9.432 1.561 125 HB2 ASN 18 2HB ASN 18 -1.307 9.072 1.889 126 HB3 ASN 18 1HB ASN 18 -0.663 8.344 3.358 127 HD21 ASN 18 1HD2 ASN 18 -0.935 11.370 1.545 128 HD22 ASN 18 2HD2 ASN 18 -0.381 12.376 2.795 129 H TYR 19 H TYR 19 1.412 6.109 1.317 130 HA TYR 19 HA TYR 19 2.567 5.797 4.042 131 HD1 TYR 19 HD2 TYR 19 1.438 4.169 5.693 132 HD2 TYR 19 HD1 TYR 19 -0.587 4.143 1.905 133 HE1 TYR 19 HE2 TYR 19 -0.744 4.336 6.857 134 HE2 TYR 19 HE1 TYR 19 -2.769 4.311 3.065 135 HH TYR 19 HH TYR 19 -3.010 5.031 6.427 136 HB2 TYR 19 2HB TYR 19 1.732 3.723 1.997 137 HB3 TYR 19 1HB TYR 19 2.519 3.342 3.528 138 H CYS 20 H CYS 20 3.975 7.176 1.779 139 HA CYS 20 HA CYS 20 6.205 5.238 1.373 140 HB2 CYS 20 2HB CYS 20 5.131 6.783 -0.494 141 HB3 CYS 20 1HB CYS 20 6.282 7.947 0.122 142 H ASN 21 H ASN 21 8.392 6.577 1.264 143 HA ASN 21 HA ASN 21 8.693 7.761 3.966 144 HB2 ASN 21 2HB ASN 21 10.243 5.957 3.348 145 HB3 ASN 21 1HB ASN 21 10.769 6.877 1.937 146 HD21 ASN 21 1HD2 ASN 21 12.755 6.218 3.747 147 HD22 ASN 21 2HD2 ASN 21 13.225 7.583 4.640 148 HA PHE 1 HA PHE 1 -6.616 0.994 -10.789 149 HD1 PHE 1 HD1 PHE 1 -4.208 2.284 -12.453 150 HD2 PHE 1 HD2 PHE 1 -5.154 3.013 -8.325 151 HE1 PHE 1 HE1 PHE 1 -1.907 1.613 -11.808 152 HE2 PHE 1 HE2 PHE 1 -2.854 2.343 -7.680 153 HZ PHE 1 HZ PHE 1 -1.231 1.643 -9.421 154 H1 PHE 1 1H PHE 1 -7.891 1.631 -13.141 155 H2 PHE 1 2H PHE 1 -6.378 0.876 -12.974 156 H3 PHE 1 3H PHE 1 -6.474 2.563 -13.152 157 HB2 PHE 1 2HB PHE 1 -6.178 3.812 -11.641 158 HB3 PHE 1 1HB PHE 1 -6.718 3.566 -9.980 159 H VAL 2 H VAL 2 -8.861 0.109 -11.101 160 HA VAL 2 HA VAL 2 -10.852 2.041 -10.011 161 HB VAL 2 HB VAL 2 -12.560 0.692 -11.397 162 HG11 VAL 2 1HG1 VAL 2 -10.838 2.097 -13.337 163 HG12 VAL 2 2HG1 VAL 2 -11.184 3.018 -11.873 164 HG13 VAL 2 3HG1 VAL 2 -12.508 2.423 -12.874 165 HG21 VAL 2 3HG2 VAL 2 -10.172 0.124 -13.144 166 HG22 VAL 2 1HG2 VAL 2 -11.772 -0.620 -13.183 167 HG23 VAL 2 2HG2 VAL 2 -10.642 -1.024 -11.890 168 H ASN 3 H ASN 3 -9.168 0.090 -8.762 169 HA ASN 3 HA ASN 3 -10.598 -0.978 -6.719 170 HB2 ASN 3 2HB ASN 3 -11.214 -2.445 -9.199 171 HB3 ASN 3 1HB ASN 3 -10.824 -3.462 -7.818 172 HD21 ASN 3 1HD2 ASN 3 -11.885 -1.889 -5.713 173 HD22 ASN 3 2HD2 ASN 3 -13.569 -1.779 -5.895 174 H GLN 4 H GLN 4 -8.719 -1.181 -5.585 175 HA GLN 4 HA GLN 4 -6.686 -3.056 -6.678 176 HB2 GLN 4 2HB GLN 4 -5.462 -1.114 -6.781 177 HB3 GLN 4 1HB GLN 4 -6.431 -0.318 -5.546 178 HG2 GLN 4 2HG GLN 4 -4.649 -2.602 -4.757 179 HG3 GLN 4 1HG GLN 4 -3.943 -1.008 -5.022 180 HE21 GLN 4 1HE2 GLN 4 -4.802 -2.795 -2.499 181 HE22 GLN 4 2HE2 GLN 4 -5.504 -1.631 -1.481 182 H HIS 5 H HIS 5 -6.299 -4.779 -5.420 183 HA HIS 5 HA HIS 5 -7.243 -4.744 -2.590 184 HD2 HIS 5 HD2 HIS 5 -9.873 -5.676 -4.336 185 HE1 HIS 5 HE1 HIS 5 -8.452 -7.234 -8.000 186 HE2 HIS 5 HE2 HIS 5 -10.423 -6.099 -6.843 187 HB2 HIS 5 2HB HIS 5 -6.271 -7.280 -3.793 188 HB3 HIS 5 1HB HIS 5 -7.695 -6.987 -2.797 189 H LEU 6 H LEU 6 -5.656 -4.481 -1.060 190 HA LEU 6 HA LEU 6 -2.868 -5.193 -1.853 191 HG LEU 6 HG LEU 6 -2.989 -2.092 -2.226 192 HB2 LEU 6 2HB LEU 6 -4.042 -2.928 -0.338 193 HB3 LEU 6 1HB LEU 6 -2.571 -3.582 0.338 194 HD11 LEU 6 1HD1 LEU 6 -0.365 -2.041 -0.990 195 HD12 LEU 6 2HD1 LEU 6 -1.635 -1.717 0.192 196 HD13 LEU 6 3HD1 LEU 6 -1.504 -0.722 -1.257 197 HD21 LEU 6 3HD2 LEU 6 -1.305 -4.537 -1.973 198 HD22 LEU 6 1HD2 LEU 6 -0.508 -3.130 -2.662 199 HD23 LEU 6 2HD2 LEU 6 -1.966 -3.773 -3.414 200 H CYS 7 H CYS 7 -1.659 -6.524 -0.567 201 HA CYS 7 HA CYS 7 -2.147 -7.067 2.170 202 HB2 CYS 7 2HB CYS 7 -4.281 -8.031 1.134 203 HB3 CYS 7 1HB CYS 7 -3.255 -9.262 0.398 204 H GLY 8 H GLY 8 -0.176 -7.802 2.777 205 HA2 GLY 8 2HA GLY 8 1.928 -8.835 2.675 206 HA3 GLY 8 1HA GLY 8 1.082 -10.136 1.841 207 H SER 9 H SER 9 2.434 -10.604 0.172 208 HA SER 9 HA SER 9 4.240 -9.091 -1.219 209 HG SER 9 HG SER 9 3.697 -10.882 -4.156 210 HB2 SER 9 2HB SER 9 3.689 -11.504 -1.661 211 HB3 SER 9 1HB SER 9 2.291 -10.965 -2.587 212 H ASP 10 H ASP 10 0.764 -9.270 -2.103 213 HA ASP 10 HA ASP 10 0.926 -7.377 -4.223 214 HB2 ASP 10 2HB ASP 10 -1.341 -8.221 -2.409 215 HB3 ASP 10 1HB ASP 10 -1.561 -7.087 -3.737 216 H LEU 11 H LEU 11 0.658 -6.976 -0.745 217 HA LEU 11 HA LEU 11 -0.199 -4.279 -0.603 218 HG LEU 11 HG LEU 11 2.064 -3.554 1.864 219 HB2 LEU 11 2HB LEU 11 0.044 -5.717 1.378 220 HB3 LEU 11 1HB LEU 11 1.789 -5.750 1.153 221 HD11 LEU 11 1HD1 LEU 11 -0.105 -2.063 2.028 222 HD12 LEU 11 2HD1 LEU 11 -0.722 -3.195 0.824 223 HD13 LEU 11 3HD1 LEU 11 0.727 -2.246 0.484 224 HD21 LEU 11 3HD2 LEU 11 0.958 -3.387 3.927 225 HD22 LEU 11 1HD2 LEU 11 0.892 -5.114 3.576 226 HD23 LEU 11 2HD2 LEU 11 -0.524 -4.102 3.291 227 H VAL 12 H VAL 12 3.134 -5.554 -0.831 228 HA VAL 12 HA VAL 12 4.317 -2.929 -0.991 229 HB VAL 12 HB VAL 12 6.320 -4.210 -1.852 230 HG11 VAL 12 1HG1 VAL 12 5.014 -4.324 0.711 231 HG12 VAL 12 2HG1 VAL 12 6.743 -4.331 0.358 232 HG13 VAL 12 3HG1 VAL 12 5.847 -5.850 0.418 233 HG21 VAL 12 3HG2 VAL 12 4.801 -5.992 -2.909 234 HG22 VAL 12 1HG2 VAL 12 4.625 -6.647 -1.281 235 HG23 VAL 12 2HG2 VAL 12 6.216 -6.585 -2.038 236 H GLU 13 H GLU 13 3.049 -5.197 -3.374 237 HA GLU 13 HA GLU 13 4.168 -4.077 -5.717 238 HB2 GLU 13 2HB GLU 13 2.654 -6.162 -5.447 239 HB3 GLU 13 1HB GLU 13 1.309 -5.030 -5.594 240 HG2 GLU 13 2HG GLU 13 3.133 -4.351 -7.644 241 HG3 GLU 13 1HG GLU 13 2.994 -6.109 -7.672 242 H ALA 14 H ALA 14 1.004 -3.289 -4.223 243 HA ALA 14 HA ALA 14 0.463 -1.062 -5.927 244 HB1 ALA 14 3HB ALA 14 -1.300 -0.537 -4.419 245 HB2 ALA 14 1HB ALA 14 -0.467 -1.301 -3.064 246 HB3 ALA 14 2HB ALA 14 -1.146 -2.290 -4.357 247 H LEU 15 H LEU 15 1.844 -1.208 -2.653 248 HA LEU 15 HA LEU 15 2.376 1.601 -2.415 249 HG LEU 15 HG LEU 15 1.522 -0.817 -0.465 250 HB2 LEU 15 2HB LEU 15 3.829 -0.761 -1.162 251 HB3 LEU 15 1HB LEU 15 4.003 0.915 -0.656 252 HD11 LEU 15 1HD1 LEU 15 1.774 -0.246 1.935 253 HD12 LEU 15 2HD1 LEU 15 3.236 0.663 1.550 254 HD13 LEU 15 3HD1 LEU 15 3.194 -1.083 1.308 255 HD21 LEU 15 3HD2 LEU 15 0.439 1.203 0.500 256 HD22 LEU 15 1HD2 LEU 15 0.876 1.455 -1.190 257 HD23 LEU 15 2HD2 LEU 15 1.867 2.153 0.091 258 H TYR 16 H TYR 16 3.857 -0.926 -4.225 259 HA TYR 16 HA TYR 16 6.523 0.142 -4.385 260 HD1 TYR 16 HD2 TYR 16 8.451 -0.549 -5.935 261 HD2 TYR 16 HD1 TYR 16 6.079 -3.725 -4.277 262 HE1 TYR 16 HE2 TYR 16 10.506 -1.615 -5.041 263 HE2 TYR 16 HE1 TYR 16 8.132 -4.791 -3.383 264 HH TYR 16 HH TYR 16 10.996 -3.261 -3.029 265 HB2 TYR 16 2HB TYR 16 5.032 -2.057 -5.523 266 HB3 TYR 16 1HB TYR 16 5.992 -1.261 -6.771 267 H LEU 17 H LEU 17 3.900 0.204 -6.844 268 HA LEU 17 HA LEU 17 5.240 1.993 -8.588 269 HG LEU 17 HG LEU 17 2.308 1.156 -6.889 270 HB2 LEU 17 2HB LEU 17 2.903 2.570 -9.404 271 HB3 LEU 17 1HB LEU 17 3.313 0.855 -9.421 272 HD11 LEU 17 1HD1 LEU 17 1.666 3.541 -7.779 273 HD12 LEU 17 2HD1 LEU 17 0.489 2.616 -6.845 274 HD13 LEU 17 3HD1 LEU 17 0.370 2.675 -8.603 275 HD21 LEU 17 3HD2 LEU 17 0.271 0.072 -7.820 276 HD22 LEU 17 1HD2 LEU 17 1.752 -0.638 -8.465 277 HD23 LEU 17 2HD2 LEU 17 0.816 0.492 -9.444 278 H VAL 18 H VAL 18 3.239 2.664 -5.722 279 HA VAL 18 HA VAL 18 3.176 5.523 -6.220 280 HB VAL 18 HB VAL 18 2.398 5.723 -3.901 281 HG11 VAL 18 1HG1 VAL 18 0.339 4.710 -4.255 282 HG12 VAL 18 2HG1 VAL 18 1.061 3.261 -4.955 283 HG13 VAL 18 3HG1 VAL 18 0.992 4.752 -5.892 284 HG21 VAL 18 3HG2 VAL 18 3.090 2.786 -3.779 285 HG22 VAL 18 1HG2 VAL 18 2.124 3.618 -2.566 286 HG23 VAL 18 2HG2 VAL 18 3.807 4.076 -2.818 287 H CYS 19 H CYS 19 5.063 3.460 -4.051 288 HA CYS 19 HA CYS 19 6.700 5.645 -3.111 289 HB2 CYS 19 2HB CYS 19 6.652 2.694 -2.798 290 HB3 CYS 19 1HB CYS 19 8.230 3.449 -2.621 291 H GLY 20 H GLY 20 7.587 2.801 -5.069 292 HA2 GLY 20 2HA GLY 20 8.982 2.735 -7.003 293 HA3 GLY 20 1HA GLY 20 9.196 4.485 -6.871 294 H GLU 21 H GLU 21 11.534 4.219 -7.070 295 HA GLU 21 HA GLU 21 12.980 2.593 -5.141 296 HB2 GLU 21 2HB GLU 21 13.609 4.065 -7.510 297 HB3 GLU 21 1HB GLU 21 14.660 4.643 -6.216 298 HG2 GLU 21 2HG GLU 21 15.706 2.607 -5.965 299 HG3 GLU 21 1HG GLU 21 14.272 1.695 -6.437 300 H ARG 22 H ARG 22 11.254 4.148 -3.682 301 HA ARG 22 HA ARG 22 13.104 6.052 -2.332 302 HE ARG 22 HE ARG 22 11.072 9.727 -2.080 303 HB2 ARG 22 2HB ARG 22 10.142 6.296 -2.895 304 HB3 ARG 22 1HB ARG 22 10.931 7.236 -1.628 305 HG2 ARG 22 2HG ARG 22 12.447 8.238 -3.240 306 HG3 ARG 22 1HG ARG 22 11.820 7.205 -4.525 307 HD2 ARG 22 2HD ARG 22 10.619 9.170 -4.887 308 HD3 ARG 22 1HD ARG 22 9.507 8.263 -3.860 309 HH11 ARG 22 1HH2 ARG 22 8.398 10.047 -4.128 310 HH12 ARG 22 2HH2 ARG 22 8.212 11.752 -3.886 311 HH21 ARG 22 1HH1 ARG 22 11.136 12.079 -2.051 312 HH22 ARG 22 2HH1 ARG 22 9.761 12.902 -2.707 313 H GLY 23 H GLY 23 11.294 3.203 -2.153 314 HA2 GLY 23 2HA GLY 23 11.172 1.721 -0.308 315 HA3 GLY 23 1HA GLY 23 11.845 2.987 0.715 316 H PHE 24 H PHE 24 9.374 1.148 0.837 317 HA PHE 24 HA PHE 24 7.341 3.287 1.346 318 HD1 PHE 24 HD2 PHE 24 7.752 1.206 -1.767 319 HD2 PHE 24 HD1 PHE 24 7.080 -1.105 1.796 320 HE1 PHE 24 HE2 PHE 24 8.923 -0.723 -2.795 321 HE2 PHE 24 HE1 PHE 24 8.252 -3.033 0.765 322 HZ PHE 24 HZ PHE 24 9.173 -2.842 -1.530 323 HB2 PHE 24 2HB PHE 24 5.889 0.987 1.414 324 HB3 PHE 24 1HB PHE 24 6.128 1.922 -0.056 325 H PHE 25 H PHE 25 5.643 1.910 3.041 326 HA PHE 25 HA PHE 25 7.382 1.571 5.433 327 HD1 PHE 25 HD2 PHE 25 7.644 2.268 7.149 328 HD2 PHE 25 HD1 PHE 25 4.504 4.850 5.747 329 HE1 PHE 25 HE2 PHE 25 8.713 4.189 8.293 330 HE2 PHE 25 HE1 PHE 25 5.575 6.769 6.894 331 HZ PHE 25 HZ PHE 25 7.678 6.439 8.167 332 HB2 PHE 25 2HB PHE 25 4.657 2.623 4.932 333 HB3 PHE 25 1HB PHE 25 4.824 1.656 6.392 334 H TYR 26 H TYR 26 4.271 0.178 4.297 335 HA TYR 26 HA TYR 26 3.418 -1.987 4.603 336 HD1 TYR 26 HD1 TYR 26 2.833 -3.851 4.329 337 HD2 TYR 26 HD2 TYR 26 6.946 -4.894 3.625 338 HE1 TYR 26 HE1 TYR 26 2.264 -6.252 4.551 339 HE2 TYR 26 HE2 TYR 26 6.372 -7.294 3.849 340 HH TYR 26 HH TYR 26 3.777 -8.442 5.261 341 HB2 TYR 26 2HB TYR 26 5.055 -2.416 2.827 342 HB3 TYR 26 1HB TYR 26 6.322 -2.606 4.027 343 H THR 27 H THR 27 3.790 -0.783 7.037 344 HA THR 27 HA THR 27 5.441 -2.542 8.738 345 HB THR 27 HB THR 27 5.489 -0.265 9.407 346 HG1 THR 27 HG1 THR 27 3.850 -0.469 11.331 347 HG21 THR 27 3HG2 THR 27 2.996 0.648 10.012 348 HG22 THR 27 1HG2 THR 27 2.641 -0.372 8.618 349 HG23 THR 27 2HG2 THR 27 3.802 0.947 8.473 350 H LYS 28 H LYS 28 4.547 -3.816 10.459 351 HA LYS 28 HA LYS 28 1.983 -5.055 9.771 352 HB2 LYS 28 2HB LYS 28 2.497 -6.678 11.452 353 HB3 LYS 28 1HB LYS 28 4.023 -6.303 10.657 354 HG2 LYS 28 2HG LYS 28 3.611 -4.458 12.835 355 HG3 LYS 28 1HG LYS 28 3.429 -6.110 13.424 356 HD2 LYS 28 2HD LYS 28 5.590 -6.648 12.175 357 HD3 LYS 28 1HD LYS 28 5.799 -4.907 11.982 358 HE2 LYS 28 2HE LYS 28 6.840 -5.009 13.997 359 HE3 LYS 28 1HE LYS 28 5.207 -5.106 14.658 360 HZ1 LYS 28 3HZ LYS 28 6.915 -6.901 15.291 361 HZ2 LYS 28 1HZ LYS 28 6.596 -7.543 13.754 362 HZ3 LYS 28 2HZ LYS 28 5.337 -7.384 14.884 363 HA PRO 29 HA PRO 29 -0.486 -2.673 12.492 364 HB2 PRO 29 2HB PRO 29 -2.590 -4.426 12.749 365 HB3 PRO 29 1HB PRO 29 -2.308 -3.429 11.311 366 HG2 PRO 29 2HG PRO 29 -1.834 -6.350 11.694 367 HG3 PRO 29 1HG PRO 29 -2.186 -5.454 10.207 368 HD2 PRO 29 2HD PRO 29 0.360 -6.368 11.008 369 HD3 PRO 29 1HD PRO 29 0.041 -5.175 9.735 370 H THR 30 H THR 30 -0.297 -6.143 13.366 371 HA THR 30 HA THR 30 0.184 -5.291 16.185 372 HB THR 30 HB THR 30 -2.152 -5.962 16.084 373 HG1 THR 30 HG1 THR 30 -0.991 -8.297 17.044 374 HG21 THR 30 3HG2 THR 30 -2.478 -7.254 14.194 375 HG22 THR 30 1HG2 THR 30 -2.441 -8.519 15.421 376 HG23 THR 30 2HG2 THR 30 -1.005 -8.190 14.452 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -2.228 1.232 11.714 2 H2 GLY 1 2H GLY 1 -2.340 -0.284 12.471 3 H3 GLY 1 3H GLY 1 -3.589 0.251 11.451 4 HA2 GLY 1 1HA GLY 1 -1.235 0.220 9.991 5 HA3 GLY 1 2HA GLY 1 -1.354 -1.371 10.804 6 H ILE 2 H ILE 2 -0.917 -1.111 8.178 7 HA ILE 2 HA ILE 2 -3.342 -0.185 6.711 8 HB ILE 2 HB ILE 2 -1.029 0.688 6.073 9 HG12 ILE 2 2HG1 ILE 2 -2.815 -0.776 4.121 10 HG13 ILE 2 1HG1 ILE 2 -2.811 0.946 4.500 11 HG21 ILE 2 1HG2 ILE 2 0.590 -0.721 5.268 12 HG22 ILE 2 2HG2 ILE 2 -0.583 -1.824 4.550 13 HG23 ILE 2 3HG2 ILE 2 -0.248 -1.898 6.279 14 HD11 ILE 2 3HD1 ILE 2 -1.426 1.234 2.745 15 HD12 ILE 2 1HD1 ILE 2 -1.214 -0.506 2.554 16 HD13 ILE 2 2HD1 ILE 2 -0.190 0.390 3.677 17 H THR 3 H THR 3 -1.371 -2.992 7.426 18 HA THR 3 HA THR 3 -2.370 -4.733 5.398 19 HB THR 3 HB THR 3 -1.486 -5.450 8.208 20 HG1 THR 3 HG1 THR 3 0.117 -4.328 7.125 21 HG21 THR 3 3HG2 THR 3 -0.858 -7.365 6.150 22 HG22 THR 3 1HG2 THR 3 -2.587 -7.019 6.127 23 HG23 THR 3 2HG2 THR 3 -1.822 -7.591 7.610 24 H GLU 4 H GLU 4 -3.752 -3.585 8.369 25 HA GLU 4 HA GLU 4 -5.935 -5.588 8.239 26 HB2 GLU 4 2HB GLU 4 -4.934 -4.997 10.449 27 HB3 GLU 4 1HB GLU 4 -5.486 -3.337 10.224 28 HG2 GLU 4 2HG GLU 4 -7.437 -3.954 11.167 29 HG3 GLU 4 1HG GLU 4 -7.749 -4.912 9.719 30 H GLN 5 H GLN 5 -5.832 -3.871 6.033 31 HA GLN 5 HA GLN 5 -8.492 -2.818 5.996 32 HB2 GLN 5 2HB GLN 5 -6.936 -1.110 7.385 33 HB3 GLN 5 1HB GLN 5 -6.591 -0.537 5.752 34 HG2 GLN 5 2HG GLN 5 -9.247 -0.737 5.529 35 HG3 GLN 5 1HG GLN 5 -9.159 -0.493 7.274 36 HE21 GLN 5 1HE2 GLN 5 -8.853 1.643 7.990 37 HE22 GLN 5 2HE2 GLN 5 -8.430 2.940 6.980 38 H CYS 6 H CYS 6 -5.209 -2.493 4.655 39 HA CYS 6 HA CYS 6 -6.238 -1.958 1.964 40 HB2 CYS 6 2HB CYS 6 -3.542 -2.239 3.222 41 HB3 CYS 6 1HB CYS 6 -3.667 -2.518 1.493 42 H CYS 7 H CYS 7 -6.095 -4.682 3.824 43 HA CYS 7 HA CYS 7 -5.811 -6.388 1.387 44 HB2 CYS 7 2HB CYS 7 -3.998 -6.783 3.032 45 HB3 CYS 7 1HB CYS 7 -5.198 -7.139 4.258 46 H THR 8 H THR 8 -7.638 -5.676 4.306 47 HA THR 8 HA THR 8 -9.529 -7.867 3.903 48 HB THR 8 HB THR 8 -9.283 -7.021 6.156 49 HG1 THR 8 HG1 THR 8 -11.447 -7.495 5.301 50 HG21 THR 8 3HG2 THR 8 -8.782 -4.859 6.496 51 HG22 THR 8 1HG2 THR 8 -10.410 -4.412 5.984 52 HG23 THR 8 2HG2 THR 8 -9.108 -4.506 4.799 53 H SER 9 H SER 9 -9.055 -4.676 2.710 54 HA SER 9 HA SER 9 -11.425 -4.947 0.975 55 HG SER 9 HG SER 9 -12.282 -4.630 3.422 56 HB2 SER 9 2HB SER 9 -11.082 -2.310 2.353 57 HB3 SER 9 1HB SER 9 -12.537 -3.031 1.672 58 H ILE 10 H ILE 10 -11.274 -2.248 -0.001 59 HA ILE 10 HA ILE 10 -8.569 -2.357 -1.262 60 HB ILE 10 HB ILE 10 -11.185 -1.231 -2.285 61 HG12 ILE 10 2HG1 ILE 10 -9.442 -3.314 -3.585 62 HG13 ILE 10 1HG1 ILE 10 -10.567 -3.774 -2.306 63 HG21 ILE 10 1HG2 ILE 10 -9.043 0.096 -2.838 64 HG22 ILE 10 2HG2 ILE 10 -10.021 -0.442 -4.203 65 HG23 ILE 10 3HG2 ILE 10 -8.554 -1.319 -3.769 66 HD11 ILE 10 3HD1 ILE 10 -11.370 -2.204 -4.764 67 HD12 ILE 10 1HD1 ILE 10 -12.440 -2.905 -3.549 68 HD13 ILE 10 2HD1 ILE 10 -11.520 -3.957 -4.626 69 H CYS 11 H CYS 11 -7.246 -0.572 -1.090 70 HA CYS 11 HA CYS 11 -8.188 1.606 0.678 71 HB2 CYS 11 2HB CYS 11 -5.471 0.788 -0.370 72 HB3 CYS 11 1HB CYS 11 -5.723 2.302 0.496 73 H SER 12 H SER 12 -6.656 3.737 -0.212 74 HA SER 12 HA SER 12 -7.857 4.285 -2.899 75 HG SER 12 HG SER 12 -8.337 5.508 0.349 76 HB2 SER 12 2HB SER 12 -7.310 6.749 -1.910 77 HB3 SER 12 1HB SER 12 -8.854 5.935 -1.679 78 H LEU 13 H LEU 13 -6.181 3.761 -4.238 79 HA LEU 13 HA LEU 13 -3.485 3.807 -4.134 80 HG LEU 13 HG LEU 13 -5.722 2.930 -5.821 81 HB2 LEU 13 2HB LEU 13 -4.328 5.552 -6.348 82 HB3 LEU 13 1HB LEU 13 -3.455 4.030 -6.391 83 HD11 LEU 13 1HD1 LEU 13 -6.571 5.474 -5.463 84 HD12 LEU 13 2HD1 LEU 13 -7.652 4.175 -5.968 85 HD13 LEU 13 3HD1 LEU 13 -6.972 5.274 -7.168 86 HD21 LEU 13 3HD2 LEU 13 -6.418 3.210 -8.282 87 HD22 LEU 13 1HD2 LEU 13 -4.798 2.588 -7.970 88 HD23 LEU 13 2HD2 LEU 13 -5.021 4.278 -8.423 89 H TYR 14 H TYR 14 -5.412 6.734 -4.565 90 HA TYR 14 HA TYR 14 -3.374 8.658 -4.574 91 HD1 TYR 14 HD1 TYR 14 -3.274 10.951 -4.075 92 HD2 TYR 14 HD2 TYR 14 -6.973 10.219 -2.017 93 HE1 TYR 14 HE1 TYR 14 -2.935 13.011 -2.733 94 HE2 TYR 14 HE2 TYR 14 -6.637 12.279 -0.675 95 HH TYR 14 HH TYR 14 -4.753 14.680 -1.438 96 HB2 TYR 14 2HB TYR 14 -5.536 9.475 -4.978 97 HB3 TYR 14 1HB TYR 14 -6.205 8.657 -3.569 98 H GLN 15 H GLN 15 -5.213 7.614 -1.717 99 HA GLN 15 HA GLN 15 -3.357 8.746 0.171 100 HB2 GLN 15 2HB GLN 15 -5.646 6.849 0.271 101 HB3 GLN 15 1HB GLN 15 -4.501 6.779 1.607 102 HG2 GLN 15 2HG GLN 15 -6.083 9.194 0.684 103 HG3 GLN 15 1HG GLN 15 -6.235 8.344 2.222 104 HE21 GLN 15 1HE2 GLN 15 -3.722 8.102 3.201 105 HE22 GLN 15 2HE2 GLN 15 -2.946 9.606 3.330 106 H LEU 16 H LEU 16 -3.883 5.585 -1.201 107 HA LEU 16 HA LEU 16 -2.177 3.855 0.036 108 HG LEU 16 HG LEU 16 -2.331 1.685 -2.837 109 HB2 LEU 16 2HB LEU 16 -3.544 3.630 -2.161 110 HB3 LEU 16 1HB LEU 16 -2.082 4.193 -2.962 111 HD11 LEU 16 1HD1 LEU 16 0.087 2.557 -1.281 112 HD12 LEU 16 2HD1 LEU 16 -0.134 3.093 -2.946 113 HD13 LEU 16 3HD1 LEU 16 -0.028 1.371 -2.579 114 HD21 LEU 16 3HD2 LEU 16 -2.421 0.586 -0.836 115 HD22 LEU 16 1HD2 LEU 16 -3.123 2.112 -0.298 116 HD23 LEU 16 2HD2 LEU 16 -1.414 1.780 -0.016 117 H GLU 17 H GLU 17 -1.219 6.407 -2.224 118 HA GLU 17 HA GLU 17 1.586 5.689 -2.192 119 HB2 GLU 17 2HB GLU 17 0.979 6.828 -4.122 120 HB3 GLU 17 1HB GLU 17 -0.033 7.977 -3.252 121 HG2 GLU 17 2HG GLU 17 2.038 8.982 -2.264 122 HG3 GLU 17 1HG GLU 17 3.003 7.881 -3.249 123 H ASN 18 H ASN 18 -0.396 7.604 -0.089 124 HA ASN 18 HA ASN 18 1.678 9.295 0.973 125 HB2 ASN 18 2HB ASN 18 -0.822 9.603 1.283 126 HB3 ASN 18 1HB ASN 18 -0.753 8.316 2.482 127 HD21 ASN 18 1HD2 ASN 18 1.248 11.237 1.730 128 HD22 ASN 18 2HD2 ASN 18 1.323 11.773 3.339 129 H TYR 19 H TYR 19 1.342 5.959 1.142 130 HA TYR 19 HA TYR 19 2.414 5.733 3.879 131 HD1 TYR 19 HD2 TYR 19 0.974 4.729 5.278 132 HD2 TYR 19 HD1 TYR 19 -0.500 3.571 1.413 133 HE1 TYR 19 HE2 TYR 19 -1.354 4.980 6.093 134 HE2 TYR 19 HE1 TYR 19 -2.830 3.823 2.225 135 HH TYR 19 HH TYR 19 -4.124 4.132 4.032 136 HB2 TYR 19 2HB TYR 19 1.799 3.632 1.782 137 HB3 TYR 19 1HB TYR 19 2.333 3.289 3.430 138 H CYS 20 H CYS 20 3.980 7.050 1.672 139 HA CYS 20 HA CYS 20 6.250 5.134 1.470 140 HB2 CYS 20 2HB CYS 20 5.259 6.648 -0.484 141 HB3 CYS 20 1HB CYS 20 6.385 7.815 0.168 142 H ASN 21 H ASN 21 8.403 6.642 1.402 143 HA ASN 21 HA ASN 21 8.631 7.623 4.163 144 HB2 ASN 21 2HB ASN 21 10.372 6.176 2.965 145 HB3 ASN 21 1HB ASN 21 10.794 7.623 2.048 146 HD21 ASN 21 1HD2 ASN 21 12.865 6.776 3.526 147 HD22 ASN 21 2HD2 ASN 21 13.055 7.673 4.954 148 HA PHE 1 HA PHE 1 -8.460 2.903 -12.237 149 HD1 PHE 1 HD1 PHE 1 -9.214 4.674 -13.002 150 HD2 PHE 1 HD2 PHE 1 -11.077 4.680 -9.127 151 HE1 PHE 1 HE1 PHE 1 -9.003 7.144 -12.904 152 HE2 PHE 1 HE2 PHE 1 -10.865 7.151 -9.032 153 HZ PHE 1 HZ PHE 1 -9.828 8.381 -10.919 154 H1 PHE 1 1H PHE 1 -10.904 3.369 -13.413 155 H2 PHE 1 2H PHE 1 -10.423 1.848 -13.995 156 H3 PHE 1 3H PHE 1 -9.412 3.199 -14.202 157 HB2 PHE 1 2HB PHE 1 -11.327 2.743 -11.290 158 HB3 PHE 1 1HB PHE 1 -9.963 2.585 -10.184 159 H VAL 2 H VAL 2 -8.766 1.111 -10.183 160 HA VAL 2 HA VAL 2 -9.539 -1.514 -11.242 161 HB VAL 2 HB VAL 2 -6.701 -1.437 -10.353 162 HG11 VAL 2 1HG1 VAL 2 -7.976 -2.812 -12.724 163 HG12 VAL 2 2HG1 VAL 2 -8.066 -3.471 -11.091 164 HG13 VAL 2 3HG1 VAL 2 -6.499 -3.263 -11.873 165 HG21 VAL 2 3HG2 VAL 2 -6.899 0.529 -11.899 166 HG22 VAL 2 1HG2 VAL 2 -7.517 -0.559 -13.142 167 HG23 VAL 2 2HG2 VAL 2 -5.870 -0.753 -12.540 168 H ASN 3 H ASN 3 -10.050 -2.879 -9.550 169 HA ASN 3 HA ASN 3 -10.361 -1.933 -6.922 170 HB2 ASN 3 2HB ASN 3 -9.903 -4.782 -7.863 171 HB3 ASN 3 1HB ASN 3 -10.492 -4.340 -6.261 172 HD21 ASN 3 1HD2 ASN 3 -12.720 -3.881 -6.048 173 HD22 ASN 3 2HD2 ASN 3 -13.802 -3.815 -7.352 174 H GLN 4 H GLN 4 -8.742 -1.192 -5.620 175 HA GLN 4 HA GLN 4 -6.017 -2.206 -5.974 176 HB2 GLN 4 2HB GLN 4 -6.485 0.213 -5.658 177 HB3 GLN 4 1HB GLN 4 -7.105 -0.140 -4.051 178 HG2 GLN 4 2HG GLN 4 -4.559 0.591 -4.463 179 HG3 GLN 4 1HG GLN 4 -5.026 -0.497 -3.163 180 HE21 GLN 4 1HE2 GLN 4 -3.008 -0.208 -5.937 181 HE22 GLN 4 2HE2 GLN 4 -2.547 -1.838 -6.052 182 H HIS 5 H HIS 5 -6.418 -4.411 -5.181 183 HA HIS 5 HA HIS 5 -7.031 -4.665 -2.295 184 HD2 HIS 5 HD2 HIS 5 -8.893 -5.289 -1.570 185 HE1 HIS 5 HE1 HIS 5 -11.348 -7.583 -4.137 186 HE2 HIS 5 HE2 HIS 5 -11.322 -6.068 -2.085 187 HB2 HIS 5 2HB HIS 5 -6.714 -6.577 -4.584 188 HB3 HIS 5 1HB HIS 5 -6.441 -7.173 -2.949 189 H LEU 6 H LEU 6 -5.409 -5.017 -0.766 190 HA LEU 6 HA LEU 6 -2.646 -5.421 -1.805 191 HG LEU 6 HG LEU 6 -2.694 -2.319 -2.146 192 HB2 LEU 6 2HB LEU 6 -3.765 -3.164 -0.281 193 HB3 LEU 6 1HB LEU 6 -2.300 -3.829 0.404 194 HD11 LEU 6 1HD1 LEU 6 -1.395 -1.889 0.214 195 HD12 LEU 6 2HD1 LEU 6 -0.996 -1.080 -1.300 196 HD13 LEU 6 3HD1 LEU 6 -0.080 -2.497 -0.790 197 HD21 LEU 6 3HD2 LEU 6 -0.932 -4.750 -1.866 198 HD22 LEU 6 1HD2 LEU 6 -0.356 -3.377 -2.804 199 HD23 LEU 6 2HD2 LEU 6 -1.844 -4.197 -3.270 200 H CYS 7 H CYS 7 -1.461 -6.872 -0.738 201 HA CYS 7 HA CYS 7 -1.994 -7.470 2.085 202 HB2 CYS 7 2HB CYS 7 -2.290 -9.695 0.026 203 HB3 CYS 7 1HB CYS 7 -2.496 -9.836 1.768 204 H GLY 8 H GLY 8 0.043 -7.689 2.906 205 HA2 GLY 8 2HA GLY 8 2.406 -7.934 2.883 206 HA3 GLY 8 1HA GLY 8 1.936 -9.572 2.452 207 H SER 9 H SER 9 2.849 -10.332 0.636 208 HA SER 9 HA SER 9 4.700 -9.117 -0.971 209 HG SER 9 HG SER 9 5.266 -10.773 -2.807 210 HB2 SER 9 2HB SER 9 3.076 -11.453 -1.172 211 HB3 SER 9 1HB SER 9 3.067 -10.660 -2.744 212 H ASP 10 H ASP 10 1.194 -9.142 -1.710 213 HA ASP 10 HA ASP 10 1.491 -7.340 -3.953 214 HB2 ASP 10 2HB ASP 10 -0.883 -8.184 -2.271 215 HB3 ASP 10 1HB ASP 10 -1.022 -7.086 -3.640 216 H LEU 11 H LEU 11 1.042 -6.993 -0.514 217 HA LEU 11 HA LEU 11 0.170 -4.305 -0.363 218 HG LEU 11 HG LEU 11 2.088 -3.605 2.349 219 HB2 LEU 11 2HB LEU 11 0.323 -5.887 1.564 220 HB3 LEU 11 1HB LEU 11 2.076 -5.757 1.501 221 HD11 LEU 11 1HD1 LEU 11 -0.607 -3.385 1.049 222 HD12 LEU 11 2HD1 LEU 11 0.814 -2.360 0.835 223 HD13 LEU 11 3HD1 LEU 11 -0.144 -2.247 2.312 224 HD21 LEU 11 3HD2 LEU 11 -0.596 -4.452 3.423 225 HD22 LEU 11 1HD2 LEU 11 0.693 -3.585 4.255 226 HD23 LEU 11 2HD2 LEU 11 0.885 -5.297 3.874 227 H VAL 12 H VAL 12 3.467 -5.646 -0.618 228 HA VAL 12 HA VAL 12 4.689 -3.001 -0.573 229 HB VAL 12 HB VAL 12 6.732 -4.310 -1.371 230 HG11 VAL 12 1HG1 VAL 12 5.620 -4.027 1.121 231 HG12 VAL 12 2HG1 VAL 12 7.197 -4.753 0.814 232 HG13 VAL 12 3HG1 VAL 12 5.777 -5.780 1.005 233 HG21 VAL 12 3HG2 VAL 12 6.602 -6.678 -1.503 234 HG22 VAL 12 1HG2 VAL 12 5.201 -6.101 -2.404 235 HG23 VAL 12 2HG2 VAL 12 5.002 -6.710 -0.761 236 H GLU 13 H GLU 13 3.498 -5.199 -3.039 237 HA GLU 13 HA GLU 13 4.785 -4.066 -5.306 238 HB2 GLU 13 2HB GLU 13 3.328 -6.162 -5.230 239 HB3 GLU 13 1HB GLU 13 1.935 -5.079 -5.281 240 HG2 GLU 13 2HG GLU 13 3.437 -4.059 -7.313 241 HG3 GLU 13 1HG GLU 13 3.866 -5.767 -7.413 242 H ALA 14 H ALA 14 1.545 -3.310 -3.966 243 HA ALA 14 HA ALA 14 0.978 -1.107 -5.651 244 HB1 ALA 14 3HB ALA 14 -0.492 -0.325 -3.778 245 HB2 ALA 14 1HB ALA 14 0.210 -1.583 -2.761 246 HB3 ALA 14 2HB ALA 14 -0.731 -2.024 -4.185 247 H LEU 15 H LEU 15 2.457 -1.119 -2.407 248 HA LEU 15 HA LEU 15 3.050 1.667 -2.332 249 HG LEU 15 HG LEU 15 2.294 -0.798 -0.288 250 HB2 LEU 15 2HB LEU 15 4.552 -0.613 -1.013 251 HB3 LEU 15 1HB LEU 15 4.642 1.085 -0.553 252 HD11 LEU 15 1HD1 LEU 15 3.323 1.131 1.766 253 HD12 LEU 15 2HD1 LEU 15 4.209 -0.364 1.468 254 HD13 LEU 15 3HD1 LEU 15 2.528 -0.426 1.999 255 HD21 LEU 15 3HD2 LEU 15 1.028 0.991 -0.934 256 HD22 LEU 15 1HD2 LEU 15 2.335 2.144 -0.663 257 HD23 LEU 15 2HD2 LEU 15 1.372 1.566 0.697 258 H TYR 16 H TYR 16 4.746 -1.089 -3.726 259 HA TYR 16 HA TYR 16 7.289 0.107 -4.108 260 HD1 TYR 16 HD2 TYR 16 9.319 -0.791 -5.330 261 HD2 TYR 16 HD1 TYR 16 6.737 -3.744 -3.575 262 HE1 TYR 16 HE2 TYR 16 11.256 -1.771 -4.130 263 HE2 TYR 16 HE1 TYR 16 8.674 -4.724 -2.373 264 HH TYR 16 HH TYR 16 11.965 -3.629 -2.994 265 HB2 TYR 16 2HB TYR 16 5.854 -2.229 -5.115 266 HB3 TYR 16 1HB TYR 16 6.950 -1.540 -6.314 267 H LEU 17 H LEU 17 4.754 -0.255 -6.632 268 HA LEU 17 HA LEU 17 6.003 1.412 -8.524 269 HG LEU 17 HG LEU 17 3.130 0.499 -6.772 270 HB2 LEU 17 2HB LEU 17 3.586 1.875 -9.322 271 HB3 LEU 17 1HB LEU 17 4.162 0.210 -9.341 272 HD11 LEU 17 1HD1 LEU 17 1.086 1.654 -8.659 273 HD12 LEU 17 2HD1 LEU 17 2.159 2.696 -7.724 274 HD13 LEU 17 3HD1 LEU 17 1.051 1.602 -6.896 275 HD21 LEU 17 3HD2 LEU 17 2.912 -1.422 -8.371 276 HD22 LEU 17 1HD2 LEU 17 1.674 -0.510 -9.236 277 HD23 LEU 17 2HD2 LEU 17 1.394 -1.016 -7.570 278 H VAL 18 H VAL 18 3.999 2.337 -5.751 279 HA VAL 18 HA VAL 18 3.905 5.139 -6.587 280 HB VAL 18 HB VAL 18 2.926 5.533 -4.348 281 HG11 VAL 18 1HG1 VAL 18 1.587 3.037 -5.250 282 HG12 VAL 18 2HG1 VAL 18 1.739 4.340 -6.431 283 HG13 VAL 18 3HG1 VAL 18 0.896 4.623 -4.907 284 HG21 VAL 18 3HG2 VAL 18 2.496 3.542 -2.910 285 HG22 VAL 18 1HG2 VAL 18 4.210 3.923 -3.055 286 HG23 VAL 18 2HG2 VAL 18 3.518 2.594 -3.983 287 H CYS 19 H CYS 19 5.596 3.289 -4.119 288 HA CYS 19 HA CYS 19 7.087 5.538 -3.100 289 HB2 CYS 19 2HB CYS 19 7.180 2.569 -2.770 290 HB3 CYS 19 1HB CYS 19 8.625 3.478 -2.345 291 H GLY 20 H GLY 20 8.227 2.678 -4.889 292 HA2 GLY 20 2HA GLY 20 9.763 2.639 -6.722 293 HA3 GLY 20 1HA GLY 20 9.993 4.382 -6.533 294 H GLU 21 H GLU 21 12.358 3.708 -6.669 295 HA GLU 21 HA GLU 21 13.502 2.223 -4.461 296 HB2 GLU 21 2HB GLU 21 14.434 2.822 -6.906 297 HB3 GLU 21 1HB GLU 21 15.181 4.142 -6.007 298 HG2 GLU 21 2HG GLU 21 16.094 2.470 -4.391 299 HG3 GLU 21 1HG GLU 21 15.439 1.182 -5.403 300 H ARG 22 H ARG 22 11.898 4.093 -3.289 301 HA ARG 22 HA ARG 22 13.860 5.996 -2.098 302 HE ARG 22 HE ARG 22 9.531 8.091 -3.507 303 HB2 ARG 22 2HB ARG 22 10.902 6.378 -2.646 304 HB3 ARG 22 1HB ARG 22 11.841 7.445 -1.604 305 HG2 ARG 22 2HG ARG 22 12.681 8.538 -3.382 306 HG3 ARG 22 1HG ARG 22 13.227 7.025 -4.108 307 HD2 ARG 22 2HD ARG 22 11.637 8.079 -5.618 308 HD3 ARG 22 1HD ARG 22 10.889 6.638 -4.928 309 HH11 ARG 22 1HH2 ARG 22 11.566 10.392 -3.539 310 HH12 ARG 22 2HH2 ARG 22 10.708 11.568 -4.477 311 HH21 ARG 22 1HH1 ARG 22 8.399 9.292 -5.707 312 HH22 ARG 22 2HH1 ARG 22 8.914 10.946 -5.703 313 H GLY 23 H GLY 23 11.788 3.339 -1.648 314 HA2 GLY 23 2HA GLY 23 11.810 2.099 0.439 315 HA3 GLY 23 1HA GLY 23 12.144 3.600 1.296 316 H PHE 24 H PHE 24 9.911 1.398 1.285 317 HA PHE 24 HA PHE 24 7.596 3.297 1.277 318 HD1 PHE 24 HD1 PHE 24 7.480 -0.926 2.275 319 HD2 PHE 24 HD2 PHE 24 8.924 0.789 -1.391 320 HE1 PHE 24 HE1 PHE 24 8.940 -2.900 1.927 321 HE2 PHE 24 HE2 PHE 24 10.384 -1.185 -1.740 322 HZ PHE 24 HZ PHE 24 10.392 -3.030 -0.081 323 HB2 PHE 24 2HB PHE 24 6.327 0.964 1.203 324 HB3 PHE 24 1HB PHE 24 6.952 1.681 -0.278 325 H PHE 25 H PHE 25 5.777 2.023 2.786 326 HA PHE 25 HA PHE 25 7.144 1.799 5.426 327 HD1 PHE 25 HD2 PHE 25 6.282 2.322 7.803 328 HD2 PHE 25 HD1 PHE 25 5.276 5.248 4.818 329 HE1 PHE 25 HE2 PHE 25 7.254 4.106 9.223 330 HE2 PHE 25 HE1 PHE 25 6.248 7.030 6.240 331 HZ PHE 25 HZ PHE 25 7.236 6.461 8.443 332 HB2 PHE 25 2HB PHE 25 4.637 3.019 4.498 333 HB3 PHE 25 1HB PHE 25 4.416 2.004 5.921 334 H TYR 26 H TYR 26 3.991 0.537 4.279 335 HA TYR 26 HA TYR 26 3.070 -1.611 4.542 336 HD1 TYR 26 HD1 TYR 26 2.623 -3.705 4.651 337 HD2 TYR 26 HD2 TYR 26 6.791 -4.483 3.925 338 HE1 TYR 26 HE1 TYR 26 2.279 -6.091 5.222 339 HE2 TYR 26 HE2 TYR 26 6.442 -6.867 4.499 340 HH TYR 26 HH TYR 26 4.816 -8.214 5.852 341 HB2 TYR 26 2HB TYR 26 4.660 -2.309 2.879 342 HB3 TYR 26 1HB TYR 26 5.989 -2.230 4.023 343 H THR 27 H THR 27 3.344 -0.283 6.905 344 HA THR 27 HA THR 27 4.891 -1.878 8.822 345 HB THR 27 HB THR 27 4.474 -0.180 10.308 346 HG1 THR 27 HG1 THR 27 1.897 -0.027 9.140 347 HG21 THR 27 3HG2 THR 27 4.721 1.805 9.198 348 HG22 THR 27 1HG2 THR 27 3.315 1.523 8.172 349 HG23 THR 27 2HG2 THR 27 4.853 0.749 7.791 350 H LYS 28 H LYS 28 3.556 -2.527 10.907 351 HA LYS 28 HA LYS 28 1.067 -3.920 10.000 352 HB2 LYS 28 2HB LYS 28 3.358 -4.907 11.699 353 HB3 LYS 28 1HB LYS 28 1.761 -5.649 11.798 354 HG2 LYS 28 2HG LYS 28 2.882 -5.225 9.071 355 HG3 LYS 28 1HG LYS 28 3.619 -6.494 10.050 356 HD2 LYS 28 2HD LYS 28 0.832 -6.764 10.408 357 HD3 LYS 28 1HD LYS 28 1.078 -6.517 8.679 358 HE2 LYS 28 2HE LYS 28 2.354 -8.630 10.432 359 HE3 LYS 28 1HE LYS 28 1.251 -8.883 9.080 360 HZ1 LYS 28 3HZ LYS 28 3.057 -9.053 7.824 361 HZ2 LYS 28 1HZ LYS 28 4.077 -8.494 9.059 362 HZ3 LYS 28 2HZ LYS 28 3.289 -7.384 8.042 363 HA PRO 29 HA PRO 29 -0.838 -1.973 13.426 364 HB2 PRO 29 2HB PRO 29 -2.948 -3.702 13.777 365 HB3 PRO 29 1HB PRO 29 -2.854 -2.514 12.464 366 HG2 PRO 29 2HG PRO 29 -2.459 -5.467 12.355 367 HG3 PRO 29 1HG PRO 29 -2.991 -4.358 11.080 368 HD2 PRO 29 2HD PRO 29 -0.392 -5.439 11.351 369 HD3 PRO 29 1HD PRO 29 -0.853 -4.084 10.303 370 H THR 30 H THR 30 -0.723 -5.544 13.781 371 HA THR 30 HA THR 30 -0.923 -5.701 16.573 372 HB THR 30 HB THR 30 1.062 -7.582 15.733 373 HG1 THR 30 HG1 THR 30 -1.149 -7.436 13.978 374 HG21 THR 30 3HG2 THR 30 -0.382 -8.631 17.119 375 HG22 THR 30 1HG2 THR 30 -1.396 -8.860 15.694 376 HG23 THR 30 2HG2 THR 30 -1.674 -7.485 16.763 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -4.457 -0.613 11.646 2 H2 GLY 1 2H GLY 1 -3.184 -0.320 12.731 3 H3 GLY 1 3H GLY 1 -3.297 -1.818 11.938 4 HA2 GLY 1 1HA GLY 1 -2.692 0.716 10.610 5 HA3 GLY 1 2HA GLY 1 -1.501 -0.589 10.898 6 H ILE 2 H ILE 2 -1.341 -0.144 8.502 7 HA ILE 2 HA ILE 2 -3.611 0.503 6.825 8 HB ILE 2 HB ILE 2 -1.207 1.093 6.313 9 HG12 ILE 2 2HG1 ILE 2 -2.915 -0.416 4.323 10 HG13 ILE 2 1HG1 ILE 2 -2.801 1.329 4.543 11 HG21 ILE 2 1HG2 ILE 2 -1.053 -1.805 5.444 12 HG22 ILE 2 2HG2 ILE 2 -0.322 -1.184 6.923 13 HG23 ILE 2 3HG2 ILE 2 0.231 -0.600 5.353 14 HD11 ILE 2 3HD1 ILE 2 -0.513 -0.436 3.624 15 HD12 ILE 2 1HD1 ILE 2 -0.503 1.324 3.731 16 HD13 ILE 2 2HD1 ILE 2 -1.532 0.518 2.546 17 H THR 3 H THR 3 -1.759 -2.483 7.437 18 HA THR 3 HA THR 3 -2.919 -4.183 5.562 19 HB THR 3 HB THR 3 -2.197 -4.741 8.449 20 HG1 THR 3 HG1 THR 3 -0.325 -4.553 7.520 21 HG21 THR 3 3HG2 THR 3 -2.040 -7.151 7.236 22 HG22 THR 3 1HG2 THR 3 -3.397 -6.459 6.348 23 HG23 THR 3 2HG2 THR 3 -3.476 -6.605 8.104 24 H GLU 4 H GLU 4 -4.246 -3.145 8.661 25 HA GLU 4 HA GLU 4 -6.720 -4.675 8.244 26 HB2 GLU 4 2HB GLU 4 -5.402 -3.473 10.471 27 HB3 GLU 4 1HB GLU 4 -6.998 -2.734 10.329 28 HG2 GLU 4 2HG GLU 4 -7.485 -4.620 11.608 29 HG3 GLU 4 1HG GLU 4 -7.795 -5.220 9.978 30 H GLN 5 H GLN 5 -6.343 -2.953 6.114 31 HA GLN 5 HA GLN 5 -8.798 -1.480 6.089 32 HB2 GLN 5 2HB GLN 5 -7.311 0.017 7.552 33 HB3 GLN 5 1HB GLN 5 -6.364 0.319 6.093 34 HG2 GLN 5 2HG GLN 5 -8.509 1.008 4.949 35 HG3 GLN 5 1HG GLN 5 -9.300 0.919 6.524 36 HE21 GLN 5 1HE2 GLN 5 -7.253 2.880 4.502 37 HE22 GLN 5 2HE2 GLN 5 -6.998 4.130 5.622 38 H CYS 6 H CYS 6 -5.557 -1.918 4.783 39 HA CYS 6 HA CYS 6 -6.548 -1.249 2.071 40 HB2 CYS 6 2HB CYS 6 -3.821 -1.639 3.277 41 HB3 CYS 6 1HB CYS 6 -4.038 -1.706 1.537 42 H CYS 7 H CYS 7 -6.244 -3.891 4.087 43 HA CYS 7 HA CYS 7 -6.056 -5.728 1.741 44 HB2 CYS 7 2HB CYS 7 -4.204 -6.027 3.318 45 HB3 CYS 7 1HB CYS 7 -5.343 -6.237 4.642 46 H THR 8 H THR 8 -7.769 -4.952 4.738 47 HA THR 8 HA THR 8 -9.610 -7.131 4.724 48 HB THR 8 HB THR 8 -10.306 -4.299 5.540 49 HG1 THR 8 HG1 THR 8 -9.222 -6.062 7.381 50 HG21 THR 8 3HG2 THR 8 -11.179 -6.209 7.406 51 HG22 THR 8 1HG2 THR 8 -11.505 -6.920 5.825 52 HG23 THR 8 2HG2 THR 8 -12.173 -5.340 6.236 53 H SER 9 H SER 9 -9.196 -4.463 2.628 54 HA SER 9 HA SER 9 -11.422 -5.342 0.941 55 HG SER 9 HG SER 9 -13.023 -4.723 2.563 56 HB2 SER 9 2HB SER 9 -11.354 -2.506 2.025 57 HB3 SER 9 1HB SER 9 -12.515 -3.147 0.866 58 H ILE 10 H ILE 10 -11.157 -2.457 -0.264 59 HA ILE 10 HA ILE 10 -8.517 -2.975 -1.571 60 HB ILE 10 HB ILE 10 -11.061 -1.793 -2.714 61 HG12 ILE 10 2HG1 ILE 10 -9.557 -4.007 -4.004 62 HG13 ILE 10 1HG1 ILE 10 -10.341 -4.401 -2.473 63 HG21 ILE 10 1HG2 ILE 10 -8.322 -1.253 -3.384 64 HG22 ILE 10 2HG2 ILE 10 -9.779 -0.670 -4.189 65 HG23 ILE 10 3HG2 ILE 10 -9.045 -2.194 -4.689 66 HD11 ILE 10 3HD1 ILE 10 -12.105 -2.826 -4.137 67 HD12 ILE 10 1HD1 ILE 10 -12.366 -4.426 -3.445 68 HD13 ILE 10 2HD1 ILE 10 -11.556 -4.260 -5.002 69 H CYS 11 H CYS 11 -7.122 -1.182 -1.814 70 HA CYS 11 HA CYS 11 -7.978 1.251 -0.306 71 HB2 CYS 11 2HB CYS 11 -5.535 -0.327 -0.343 72 HB3 CYS 11 1HB CYS 11 -5.207 1.374 -0.677 73 H SER 12 H SER 12 -7.090 3.338 -1.127 74 HA SER 12 HA SER 12 -7.228 3.399 -4.094 75 HG SER 12 HG SER 12 -7.947 6.340 -1.433 76 HB2 SER 12 2HB SER 12 -7.473 5.862 -3.756 77 HB3 SER 12 1HB SER 12 -8.718 4.933 -2.926 78 H LEU 13 H LEU 13 -5.363 3.434 -5.197 79 HA LEU 13 HA LEU 13 -2.780 3.468 -4.273 80 HG LEU 13 HG LEU 13 -5.065 5.080 -6.329 81 HB2 LEU 13 2HB LEU 13 -2.185 4.670 -6.462 82 HB3 LEU 13 1HB LEU 13 -3.061 3.154 -6.581 83 HD11 LEU 13 1HD1 LEU 13 -4.409 6.498 -8.404 84 HD12 LEU 13 2HD1 LEU 13 -2.753 6.036 -8.013 85 HD13 LEU 13 3HD1 LEU 13 -3.714 6.946 -6.846 86 HD21 LEU 13 3HD2 LEU 13 -3.913 3.682 -8.756 87 HD22 LEU 13 1HD2 LEU 13 -5.489 4.472 -8.713 88 HD23 LEU 13 2HD2 LEU 13 -5.179 3.067 -7.693 89 H TYR 14 H TYR 14 -4.827 6.243 -4.911 90 HA TYR 14 HA TYR 14 -3.074 8.380 -4.541 91 HD1 TYR 14 HD1 TYR 14 -3.763 10.506 -5.408 92 HD2 TYR 14 HD2 TYR 14 -5.946 9.977 -1.746 93 HE1 TYR 14 HE1 TYR 14 -3.364 12.886 -4.827 94 HE2 TYR 14 HE2 TYR 14 -5.548 12.356 -1.163 95 HH TYR 14 HH TYR 14 -5.047 14.563 -2.698 96 HB2 TYR 14 2HB TYR 14 -5.550 8.580 -4.958 97 HB3 TYR 14 1HB TYR 14 -5.812 8.210 -3.255 98 H GLN 15 H GLN 15 -5.072 7.265 -1.840 99 HA GLN 15 HA GLN 15 -3.389 8.278 0.207 100 HB2 GLN 15 2HB GLN 15 -5.610 6.341 0.014 101 HB3 GLN 15 1HB GLN 15 -4.531 6.088 1.384 102 HG2 GLN 15 2HG GLN 15 -5.787 7.667 2.418 103 HG3 GLN 15 1HG GLN 15 -4.880 8.815 1.434 104 HE21 GLN 15 1HE2 GLN 15 -7.853 6.781 1.303 105 HE22 GLN 15 2HE2 GLN 15 -8.722 7.856 0.317 106 H LEU 16 H LEU 16 -3.544 5.147 -1.365 107 HA LEU 16 HA LEU 16 -1.716 3.607 0.036 108 HG LEU 16 HG LEU 16 -0.413 1.955 -1.428 109 HB2 LEU 16 2HB LEU 16 -3.027 3.237 -2.246 110 HB3 LEU 16 1HB LEU 16 -1.481 3.710 -2.950 111 HD11 LEU 16 1HD1 LEU 16 -3.132 1.812 -0.544 112 HD12 LEU 16 2HD1 LEU 16 -1.746 0.894 0.044 113 HD13 LEU 16 3HD1 LEU 16 -2.715 0.271 -1.291 114 HD21 LEU 16 3HD2 LEU 16 -1.908 1.693 -3.903 115 HD22 LEU 16 1HD2 LEU 16 -1.886 0.169 -3.016 116 HD23 LEU 16 2HD2 LEU 16 -0.370 0.958 -3.451 117 H GLU 17 H GLU 17 -1.056 6.239 -2.220 118 HA GLU 17 HA GLU 17 1.810 5.838 -2.244 119 HB2 GLU 17 2HB GLU 17 0.974 6.979 -4.119 120 HB3 GLU 17 1HB GLU 17 -0.057 8.022 -3.141 121 HG2 GLU 17 2HG GLU 17 2.832 8.238 -2.558 122 HG3 GLU 17 1HG GLU 17 2.358 8.783 -4.168 123 H ASN 18 H ASN 18 -0.412 7.492 -0.147 124 HA ASN 18 HA ASN 18 1.474 9.323 1.046 125 HB2 ASN 18 2HB ASN 18 -0.948 9.670 1.246 126 HB3 ASN 18 1HB ASN 18 -1.100 8.169 2.161 127 HD21 ASN 18 1HD2 ASN 18 -1.644 8.974 4.236 128 HD22 ASN 18 2HD2 ASN 18 -0.672 10.056 5.112 129 H TYR 19 H TYR 19 1.411 5.986 1.151 130 HA TYR 19 HA TYR 19 2.404 5.884 3.951 131 HD1 TYR 19 HD2 TYR 19 0.781 4.610 5.495 132 HD2 TYR 19 HD1 TYR 19 -0.475 4.007 1.430 133 HE1 TYR 19 HE2 TYR 19 -1.581 4.930 6.174 134 HE2 TYR 19 HE1 TYR 19 -2.836 4.327 2.108 135 HH TYR 19 HH TYR 19 -4.236 4.526 3.847 136 HB2 TYR 19 2HB TYR 19 1.771 3.635 2.015 137 HB3 TYR 19 1HB TYR 19 2.235 3.437 3.702 138 H CYS 20 H CYS 20 3.962 7.055 1.669 139 HA CYS 20 HA CYS 20 6.208 5.090 1.560 140 HB2 CYS 20 2HB CYS 20 5.183 6.324 -0.527 141 HB3 CYS 20 1HB CYS 20 6.216 7.641 -0.018 142 H ASN 21 H ASN 21 8.377 6.549 1.307 143 HA ASN 21 HA ASN 21 9.040 7.456 3.888 144 HB2 ASN 21 2HB ASN 21 10.852 6.922 2.453 145 HB3 ASN 21 1HB ASN 21 10.257 7.976 1.171 146 HD21 ASN 21 1HD2 ASN 21 11.209 10.020 1.081 147 HD22 ASN 21 2HD2 ASN 21 12.056 10.755 2.355 148 HA PHE 1 HA PHE 1 -9.011 2.972 -13.282 149 HD1 PHE 1 HD1 PHE 1 -9.743 6.308 -12.628 150 HD2 PHE 1 HD2 PHE 1 -6.921 3.546 -10.932 151 HE1 PHE 1 HE1 PHE 1 -7.892 7.871 -13.164 152 HE2 PHE 1 HE2 PHE 1 -5.069 5.109 -11.468 153 HZ PHE 1 HZ PHE 1 -5.555 7.271 -12.584 154 H1 PHE 1 1H PHE 1 -10.679 4.177 -14.159 155 H2 PHE 1 2H PHE 1 -11.612 4.149 -12.740 156 H3 PHE 1 3H PHE 1 -11.607 2.808 -13.782 157 HB2 PHE 1 2HB PHE 1 -10.461 4.439 -11.155 158 HB3 PHE 1 1HB PHE 1 -9.289 3.247 -10.589 159 H VAL 2 H VAL 2 -8.510 1.398 -11.194 160 HA VAL 2 HA VAL 2 -10.678 -0.655 -11.118 161 HB VAL 2 HB VAL 2 -7.832 -1.567 -11.235 162 HG11 VAL 2 1HG1 VAL 2 -9.144 -3.429 -11.068 163 HG12 VAL 2 2HG1 VAL 2 -9.325 -3.209 -12.809 164 HG13 VAL 2 3HG1 VAL 2 -10.567 -2.607 -11.710 165 HG21 VAL 2 3HG2 VAL 2 -9.301 -0.200 -13.429 166 HG22 VAL 2 1HG2 VAL 2 -8.499 -1.712 -13.857 167 HG23 VAL 2 2HG2 VAL 2 -7.564 -0.379 -13.179 168 H ASN 3 H ASN 3 -10.917 -1.638 -9.113 169 HA ASN 3 HA ASN 3 -9.533 -0.414 -6.860 170 HB2 ASN 3 2HB ASN 3 -11.533 -2.680 -7.072 171 HB3 ASN 3 1HB ASN 3 -10.860 -2.135 -5.536 172 HD21 ASN 3 1HD2 ASN 3 -12.854 -1.233 -4.724 173 HD22 ASN 3 2HD2 ASN 3 -13.578 0.134 -5.420 174 H GLN 4 H GLN 4 -7.565 -1.092 -6.135 175 HA GLN 4 HA GLN 4 -6.655 -3.808 -6.922 176 HB2 GLN 4 2HB GLN 4 -5.406 -1.361 -7.123 177 HB3 GLN 4 1HB GLN 4 -4.750 -1.957 -5.604 178 HG2 GLN 4 2HG GLN 4 -4.381 -3.014 -8.378 179 HG3 GLN 4 1HG GLN 4 -3.208 -2.852 -7.075 180 HE21 GLN 4 1HE2 GLN 4 -4.868 -5.172 -8.797 181 HE22 GLN 4 2HE2 GLN 4 -4.889 -6.416 -7.641 182 H HIS 5 H HIS 5 -6.328 -5.366 -5.385 183 HA HIS 5 HA HIS 5 -7.029 -4.738 -2.594 184 HD2 HIS 5 HD2 HIS 5 -9.293 -6.183 -1.618 185 HE1 HIS 5 HE1 HIS 5 -10.901 -7.354 -5.349 186 HE2 HIS 5 HE2 HIS 5 -11.469 -6.562 -2.992 187 HB2 HIS 5 2HB HIS 5 -6.347 -7.302 -4.052 188 HB3 HIS 5 1HB HIS 5 -6.608 -7.247 -2.309 189 H LEU 6 H LEU 6 -5.539 -4.885 -0.849 190 HA LEU 6 HA LEU 6 -2.698 -5.302 -1.624 191 HG LEU 6 HG LEU 6 -2.816 -2.264 -2.399 192 HB2 LEU 6 2HB LEU 6 -3.987 -2.896 -0.515 193 HB3 LEU 6 1HB LEU 6 -2.552 -3.401 0.347 194 HD11 LEU 6 1HD1 LEU 6 -0.275 -2.207 -0.908 195 HD12 LEU 6 2HD1 LEU 6 -1.648 -1.513 -0.046 196 HD13 LEU 6 3HD1 LEU 6 -1.192 -0.886 -1.630 197 HD21 LEU 6 3HD2 LEU 6 -1.039 -4.602 -1.725 198 HD22 LEU 6 1HD2 LEU 6 -0.422 -3.338 -2.781 199 HD23 LEU 6 2HD2 LEU 6 -1.868 -4.236 -3.237 200 H CYS 7 H CYS 7 -1.582 -6.579 -0.309 201 HA CYS 7 HA CYS 7 -2.239 -6.777 2.539 202 HB2 CYS 7 2HB CYS 7 -2.457 -9.271 0.810 203 HB3 CYS 7 1HB CYS 7 -2.712 -9.171 2.548 204 H GLY 8 H GLY 8 -0.207 -6.712 3.385 205 HA2 GLY 8 2HA GLY 8 2.156 -6.933 3.462 206 HA3 GLY 8 1HA GLY 8 1.710 -8.634 3.381 207 H SER 9 H SER 9 2.538 -9.766 1.725 208 HA SER 9 HA SER 9 4.449 -8.974 -0.058 209 HG SER 9 HG SER 9 1.560 -11.622 -0.757 210 HB2 SER 9 2HB SER 9 3.996 -10.907 -1.330 211 HB3 SER 9 1HB SER 9 3.366 -11.307 0.265 212 H ASP 10 H ASP 10 0.950 -8.944 -0.841 213 HA ASP 10 HA ASP 10 1.410 -7.510 -3.328 214 HB2 ASP 10 2HB ASP 10 -1.076 -8.079 -1.692 215 HB3 ASP 10 1HB ASP 10 -1.105 -7.199 -3.217 216 H LEU 11 H LEU 11 0.764 -6.703 -0.004 217 HA LEU 11 HA LEU 11 -0.070 -4.005 -0.271 218 HG LEU 11 HG LEU 11 1.775 -3.003 2.383 219 HB2 LEU 11 2HB LEU 11 -0.099 -5.283 1.852 220 HB3 LEU 11 1HB LEU 11 1.660 -5.273 1.877 221 HD11 LEU 11 1HD1 LEU 11 -0.884 -2.870 1.007 222 HD12 LEU 11 2HD1 LEU 11 0.564 -1.902 0.727 223 HD13 LEU 11 3HD1 LEU 11 -0.437 -1.603 2.148 224 HD21 LEU 11 3HD2 LEU 11 0.780 -4.134 4.268 225 HD22 LEU 11 1HD2 LEU 11 -0.822 -4.033 3.539 226 HD23 LEU 11 2HD2 LEU 11 -0.013 -2.568 4.096 227 H VAL 12 H VAL 12 3.159 -5.461 -0.349 228 HA VAL 12 HA VAL 12 4.486 -2.857 -0.448 229 HB VAL 12 HB VAL 12 6.512 -4.265 -1.009 230 HG11 VAL 12 1HG1 VAL 12 5.385 -3.749 1.372 231 HG12 VAL 12 2HG1 VAL 12 6.837 -4.737 1.218 232 HG13 VAL 12 3HG1 VAL 12 5.260 -5.508 1.392 233 HG21 VAL 12 3HG2 VAL 12 4.714 -6.600 -0.370 234 HG22 VAL 12 1HG2 VAL 12 6.345 -6.629 -1.038 235 HG23 VAL 12 2HG2 VAL 12 4.995 -6.083 -2.032 236 H GLU 13 H GLU 13 3.423 -5.320 -2.744 237 HA GLU 13 HA GLU 13 4.774 -4.440 -5.059 238 HB2 GLU 13 2HB GLU 13 3.188 -6.457 -4.764 239 HB3 GLU 13 1HB GLU 13 1.883 -5.317 -5.091 240 HG2 GLU 13 2HG GLU 13 3.639 -4.720 -7.108 241 HG3 GLU 13 1HG GLU 13 3.885 -6.458 -6.931 242 H ALA 14 H ALA 14 1.560 -3.411 -3.870 243 HA ALA 14 HA ALA 14 1.196 -1.357 -5.828 244 HB1 ALA 14 3HB ALA 14 -0.624 -0.609 -4.461 245 HB2 ALA 14 1HB ALA 14 0.066 -1.358 -3.021 246 HB3 ALA 14 2HB ALA 14 -0.580 -2.362 -4.320 247 H LEU 15 H LEU 15 2.379 -1.214 -2.466 248 HA LEU 15 HA LEU 15 2.979 1.599 -2.506 249 HG LEU 15 HG LEU 15 1.923 -0.557 -0.351 250 HB2 LEU 15 2HB LEU 15 4.273 -0.616 -0.882 251 HB3 LEU 15 1HB LEU 15 4.447 1.106 -0.570 252 HD11 LEU 15 1HD1 LEU 15 2.184 0.787 1.957 253 HD12 LEU 15 2HD1 LEU 15 3.882 0.731 1.483 254 HD13 LEU 15 3HD1 LEU 15 2.971 -0.767 1.680 255 HD21 LEU 15 3HD2 LEU 15 0.765 1.532 0.219 256 HD22 LEU 15 1HD2 LEU 15 1.455 1.676 -1.398 257 HD23 LEU 15 2HD2 LEU 15 2.250 2.453 -0.028 258 H TYR 16 H TYR 16 4.522 -1.179 -3.845 259 HA TYR 16 HA TYR 16 7.220 -0.233 -3.930 260 HD1 TYR 16 HD2 TYR 16 9.072 -0.838 -4.723 261 HD2 TYR 16 HD1 TYR 16 6.697 -4.369 -4.126 262 HE1 TYR 16 HE2 TYR 16 10.997 -1.944 -3.615 263 HE2 TYR 16 HE1 TYR 16 8.621 -5.475 -3.018 264 HH TYR 16 HH TYR 16 10.660 -5.099 -2.067 265 HB2 TYR 16 2HB TYR 16 5.694 -2.441 -5.010 266 HB3 TYR 16 1HB TYR 16 6.781 -1.792 -6.238 267 H LEU 17 H LEU 17 4.828 -0.319 -6.599 268 HA LEU 17 HA LEU 17 6.335 1.313 -8.358 269 HG LEU 17 HG LEU 17 3.262 0.591 -6.862 270 HB2 LEU 17 2HB LEU 17 4.056 1.831 -9.403 271 HB3 LEU 17 1HB LEU 17 4.506 0.130 -9.296 272 HD11 LEU 17 1HD1 LEU 17 2.568 2.830 -7.997 273 HD12 LEU 17 2HD1 LEU 17 1.326 1.880 -7.182 274 HD13 LEU 17 3HD1 LEU 17 1.466 1.825 -8.938 275 HD21 LEU 17 3HD2 LEU 17 2.580 -0.697 -9.451 276 HD22 LEU 17 1HD2 LEU 17 1.237 -0.433 -8.339 277 HD23 LEU 17 2HD2 LEU 17 2.630 -1.390 -7.830 278 H VAL 18 H VAL 18 3.882 2.288 -5.922 279 HA VAL 18 HA VAL 18 3.937 5.069 -6.632 280 HB VAL 18 HB VAL 18 2.998 5.489 -4.401 281 HG11 VAL 18 1HG1 VAL 18 1.315 4.819 -5.870 282 HG12 VAL 18 2HG1 VAL 18 1.135 3.670 -4.544 283 HG13 VAL 18 3HG1 VAL 18 1.968 3.188 -6.022 284 HG21 VAL 18 3HG2 VAL 18 2.617 3.403 -2.960 285 HG22 VAL 18 1HG2 VAL 18 4.255 4.056 -2.992 286 HG23 VAL 18 2HG2 VAL 18 3.852 2.637 -3.956 287 H CYS 19 H CYS 19 5.678 3.242 -4.172 288 HA CYS 19 HA CYS 19 7.167 5.482 -3.176 289 HB2 CYS 19 2HB CYS 19 7.365 2.501 -2.958 290 HB3 CYS 19 1HB CYS 19 8.733 3.481 -2.437 291 H GLY 20 H GLY 20 8.324 2.693 -5.068 292 HA2 GLY 20 2HA GLY 20 9.869 2.679 -6.875 293 HA3 GLY 20 1HA GLY 20 9.920 4.443 -6.801 294 H GLU 21 H GLU 21 12.259 4.432 -6.850 295 HA GLU 21 HA GLU 21 13.775 2.979 -4.843 296 HB2 GLU 21 2HB GLU 21 14.392 4.980 -6.975 297 HB3 GLU 21 1HB GLU 21 15.561 4.787 -5.667 298 HG2 GLU 21 2HG GLU 21 15.185 2.207 -6.162 299 HG3 GLU 21 1HG GLU 21 14.701 2.813 -7.747 300 H ARG 22 H ARG 22 11.825 4.405 -3.474 301 HA ARG 22 HA ARG 22 13.504 6.387 -2.021 302 HE ARG 22 HE ARG 22 9.482 8.656 -1.096 303 HB2 ARG 22 2HB ARG 22 11.592 7.805 -1.666 304 HB3 ARG 22 1HB ARG 22 11.668 7.466 -3.395 305 HG2 ARG 22 2HG ARG 22 10.048 5.565 -2.999 306 HG3 ARG 22 1HG ARG 22 9.859 6.165 -1.349 307 HD2 ARG 22 2HD ARG 22 9.281 7.711 -3.894 308 HD3 ARG 22 1HD ARG 22 8.084 7.088 -2.757 309 HH11 ARG 22 1HH2 ARG 22 7.676 9.174 -3.911 310 HH12 ARG 22 2HH2 ARG 22 7.965 10.880 -3.978 311 HH21 ARG 22 1HH1 ARG 22 10.247 10.867 -1.370 312 HH22 ARG 22 2HH1 ARG 22 9.420 11.838 -2.543 313 H GLY 23 H GLY 23 11.895 3.463 -1.932 314 HA2 GLY 23 2HA GLY 23 11.682 2.015 -0.069 315 HA3 GLY 23 1HA GLY 23 12.151 3.348 0.981 316 H PHE 24 H PHE 24 9.864 1.326 1.006 317 HA PHE 24 HA PHE 24 7.589 3.260 1.168 318 HD1 PHE 24 HD1 PHE 24 7.514 -0.527 2.714 319 HD2 PHE 24 HD2 PHE 24 8.472 0.071 -1.432 320 HE1 PHE 24 HE1 PHE 24 8.752 -2.675 2.690 321 HE2 PHE 24 HE2 PHE 24 9.710 -2.078 -1.455 322 HZ PHE 24 HZ PHE 24 9.850 -3.452 0.605 323 HB2 PHE 24 2HB PHE 24 6.208 1.079 1.156 324 HB3 PHE 24 1HB PHE 24 6.981 1.536 -0.359 325 H PHE 25 H PHE 25 5.896 2.301 2.887 326 HA PHE 25 HA PHE 25 7.477 1.950 5.388 327 HD1 PHE 25 HD2 PHE 25 6.001 1.082 7.433 328 HD2 PHE 25 HD1 PHE 25 5.871 5.326 6.761 329 HE1 PHE 25 HE2 PHE 25 6.556 1.477 9.817 330 HE2 PHE 25 HE1 PHE 25 6.426 5.719 9.146 331 HZ PHE 25 HZ PHE 25 6.768 3.795 10.674 332 HB2 PHE 25 2HB PHE 25 5.682 3.856 4.932 333 HB3 PHE 25 1HB PHE 25 4.549 2.591 5.404 334 H TYR 26 H TYR 26 4.179 0.954 4.340 335 HA TYR 26 HA TYR 26 3.038 -1.060 4.789 336 HD1 TYR 26 HD1 TYR 26 2.355 -3.200 4.749 337 HD2 TYR 26 HD2 TYR 26 6.520 -4.220 4.410 338 HE1 TYR 26 HE1 TYR 26 1.849 -5.513 5.475 339 HE2 TYR 26 HE2 TYR 26 6.007 -6.532 5.133 340 HH TYR 26 HH TYR 26 2.701 -7.650 5.519 341 HB2 TYR 26 2HB TYR 26 4.437 -1.993 3.085 342 HB3 TYR 26 1HB TYR 26 5.847 -1.978 4.131 343 H THR 27 H THR 27 3.225 0.117 7.119 344 HA THR 27 HA THR 27 4.942 -1.269 9.029 345 HB THR 27 HB THR 27 4.361 1.009 9.519 346 HG1 THR 27 HG1 THR 27 3.173 0.707 11.501 347 HG21 THR 27 3HG2 THR 27 1.712 1.265 9.998 348 HG22 THR 27 1HG2 THR 27 1.668 0.064 8.708 349 HG23 THR 27 2HG2 THR 27 2.444 1.624 8.434 350 H LYS 28 H LYS 28 4.371 -2.934 10.402 351 HA LYS 28 HA LYS 28 1.601 -3.768 10.757 352 HB2 LYS 28 2HB LYS 28 2.151 -4.725 8.510 353 HB3 LYS 28 1HB LYS 28 3.477 -5.620 9.254 354 HG2 LYS 28 2HG LYS 28 2.042 -7.008 10.466 355 HG3 LYS 28 1HG LYS 28 0.709 -5.855 10.396 356 HD2 LYS 28 2HD LYS 28 -0.068 -6.754 8.480 357 HD3 LYS 28 1HD LYS 28 1.526 -6.669 7.728 358 HE2 LYS 28 2HE LYS 28 2.170 -8.742 8.975 359 HE3 LYS 28 1HE LYS 28 0.514 -8.853 9.573 360 HZ1 LYS 28 3HZ LYS 28 0.923 -10.208 7.573 361 HZ2 LYS 28 1HZ LYS 28 1.264 -8.793 6.701 362 HZ3 LYS 28 2HZ LYS 28 -0.291 -9.041 7.341 363 HA PRO 29 HA PRO 29 4.568 -4.858 14.091 364 HB2 PRO 29 2HB PRO 29 3.132 -3.625 16.084 365 HB3 PRO 29 1HB PRO 29 4.375 -2.809 15.119 366 HG2 PRO 29 2HG PRO 29 1.405 -2.576 14.942 367 HG3 PRO 29 1HG PRO 29 2.652 -1.390 14.519 368 HD2 PRO 29 2HD PRO 29 1.231 -2.998 12.689 369 HD3 PRO 29 1HD PRO 29 2.719 -2.097 12.338 370 H THR 30 H THR 30 4.277 -6.636 15.485 371 HA THR 30 HA THR 30 1.528 -7.804 15.511 372 HB THR 30 HB THR 30 4.217 -9.158 15.903 373 HG1 THR 30 HG1 THR 30 4.170 -9.408 13.833 374 HG21 THR 30 3HG2 THR 30 3.082 -10.949 16.646 375 HG22 THR 30 1HG2 THR 30 2.006 -10.891 15.250 376 HG23 THR 30 2HG2 THR 30 1.626 -9.955 16.695 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -2.929 1.418 11.315 2 H2 GLY 1 2H GLY 1 -2.618 0.117 12.362 3 H3 GLY 1 3H GLY 1 -3.962 0.071 11.325 4 HA2 GLY 1 1HA GLY 1 -1.481 0.349 9.958 5 HA3 GLY 1 2HA GLY 1 -1.605 -1.205 10.839 6 H ILE 2 H ILE 2 -0.928 -1.128 8.277 7 HA ILE 2 HA ILE 2 -3.183 -0.347 6.491 8 HB ILE 2 HB ILE 2 -0.819 0.498 6.040 9 HG12 ILE 2 2HG1 ILE 2 -2.348 -1.147 4.009 10 HG13 ILE 2 1HG1 ILE 2 -2.450 0.591 4.279 11 HG21 ILE 2 1HG2 ILE 2 0.886 -0.947 5.606 12 HG22 ILE 2 2HG2 ILE 2 -0.158 -2.071 4.738 13 HG23 ILE 2 3HG2 ILE 2 -0.103 -2.100 6.501 14 HD11 ILE 2 3HD1 ILE 2 -0.714 0.977 2.895 15 HD12 ILE 2 1HD1 ILE 2 -0.800 -0.719 2.428 16 HD13 ILE 2 2HD1 ILE 2 0.288 -0.213 3.720 17 H THR 3 H THR 3 -1.405 -3.081 7.722 18 HA THR 3 HA THR 3 -2.229 -4.959 5.683 19 HB THR 3 HB THR 3 -1.361 -5.426 8.553 20 HG1 THR 3 HG1 THR 3 0.067 -4.432 6.846 21 HG21 THR 3 3HG2 THR 3 -1.842 -7.287 6.222 22 HG22 THR 3 1HG2 THR 3 -2.514 -7.385 7.849 23 HG23 THR 3 2HG2 THR 3 -0.806 -7.730 7.578 24 H GLU 4 H GLU 4 -3.722 -3.603 8.497 25 HA GLU 4 HA GLU 4 -5.918 -5.611 8.367 26 HB2 GLU 4 2HB GLU 4 -5.021 -5.183 10.608 27 HB3 GLU 4 1HB GLU 4 -5.311 -3.454 10.415 28 HG2 GLU 4 2HG GLU 4 -7.432 -3.708 11.114 29 HG3 GLU 4 1HG GLU 4 -7.737 -4.866 9.819 30 H GLN 5 H GLN 5 -5.756 -3.866 6.194 31 HA GLN 5 HA GLN 5 -8.382 -2.707 6.188 32 HB2 GLN 5 2HB GLN 5 -6.760 -1.062 7.548 33 HB3 GLN 5 1HB GLN 5 -6.342 -0.540 5.915 34 HG2 GLN 5 2HG GLN 5 -8.176 0.838 6.621 35 HG3 GLN 5 1HG GLN 5 -8.838 -0.326 5.472 36 HE21 GLN 5 1HE2 GLN 5 -10.303 -1.952 6.278 37 HE22 GLN 5 2HE2 GLN 5 -10.889 -1.938 7.871 38 H CYS 6 H CYS 6 -5.129 -2.760 4.818 39 HA CYS 6 HA CYS 6 -6.181 -2.170 2.122 40 HB2 CYS 6 2HB CYS 6 -3.448 -2.479 3.324 41 HB3 CYS 6 1HB CYS 6 -3.643 -2.616 1.584 42 H CYS 7 H CYS 7 -5.847 -4.852 4.072 43 HA CYS 7 HA CYS 7 -5.690 -6.605 1.663 44 HB2 CYS 7 2HB CYS 7 -3.740 -6.880 3.159 45 HB3 CYS 7 1HB CYS 7 -4.825 -7.261 4.488 46 H THR 8 H THR 8 -7.454 -5.690 4.485 47 HA THR 8 HA THR 8 -9.284 -8.008 4.255 48 HB THR 8 HB THR 8 -8.990 -7.409 6.521 49 HG1 THR 8 HG1 THR 8 -11.004 -6.285 7.040 50 HG21 THR 8 3HG2 THR 8 -8.879 -4.647 5.404 51 HG22 THR 8 1HG2 THR 8 -7.853 -5.410 6.619 52 HG23 THR 8 2HG2 THR 8 -9.460 -4.832 7.059 53 H SER 9 H SER 9 -8.799 -5.155 2.676 54 HA SER 9 HA SER 9 -11.370 -5.213 1.367 55 HG SER 9 HG SER 9 -13.270 -4.198 2.914 56 HB2 SER 9 2HB SER 9 -11.358 -3.763 3.739 57 HB3 SER 9 1HB SER 9 -11.063 -2.533 2.513 58 H ILE 10 H ILE 10 -11.369 -2.668 0.230 59 HA ILE 10 HA ILE 10 -8.758 -2.730 -1.195 60 HB ILE 10 HB ILE 10 -11.434 -1.519 -1.910 61 HG12 ILE 10 2HG1 ILE 10 -9.809 -3.685 -3.268 62 HG13 ILE 10 1HG1 ILE 10 -11.075 -4.023 -2.085 63 HG21 ILE 10 1HG2 ILE 10 -8.962 -1.594 -3.649 64 HG22 ILE 10 2HG2 ILE 10 -9.359 -0.195 -2.652 65 HG23 ILE 10 3HG2 ILE 10 -10.461 -0.710 -3.929 66 HD11 ILE 10 3HD1 ILE 10 -12.310 -4.118 -4.035 67 HD12 ILE 10 1HD1 ILE 10 -11.311 -2.913 -4.848 68 HD13 ILE 10 2HD1 ILE 10 -12.488 -2.410 -3.635 69 H CYS 11 H CYS 11 -7.353 -1.039 -1.078 70 HA CYS 11 HA CYS 11 -8.092 1.229 0.689 71 HB2 CYS 11 2HB CYS 11 -5.502 0.053 -0.287 72 HB3 CYS 11 1HB CYS 11 -5.538 1.725 0.266 73 H SER 12 H SER 12 -6.852 3.360 -0.157 74 HA SER 12 HA SER 12 -7.716 3.717 -3.001 75 HG SER 12 HG SER 12 -6.785 5.660 -0.143 76 HB2 SER 12 2HB SER 12 -7.637 6.232 -2.192 77 HB3 SER 12 1HB SER 12 -9.036 5.227 -1.826 78 H LEU 13 H LEU 13 -5.998 3.765 -4.339 79 HA LEU 13 HA LEU 13 -3.314 3.849 -3.806 80 HG LEU 13 HG LEU 13 -5.930 5.434 -5.449 81 HB2 LEU 13 2HB LEU 13 -3.088 5.218 -5.991 82 HB3 LEU 13 1HB LEU 13 -3.853 3.641 -6.066 83 HD11 LEU 13 1HD1 LEU 13 -4.165 7.143 -6.305 84 HD12 LEU 13 2HD1 LEU 13 -5.787 7.207 -6.995 85 HD13 LEU 13 3HD1 LEU 13 -4.477 6.439 -7.891 86 HD21 LEU 13 3HD2 LEU 13 -6.905 4.406 -7.254 87 HD22 LEU 13 1HD2 LEU 13 -5.528 3.319 -7.072 88 HD23 LEU 13 2HD2 LEU 13 -5.478 4.611 -8.271 89 H TYR 14 H TYR 14 -5.480 6.591 -4.055 90 HA TYR 14 HA TYR 14 -3.802 8.785 -3.822 91 HD1 TYR 14 HD1 TYR 14 -4.266 10.777 -4.214 92 HD2 TYR 14 HD2 TYR 14 -6.775 10.211 -0.772 93 HE1 TYR 14 HE1 TYR 14 -3.945 13.157 -3.588 94 HE2 TYR 14 HE2 TYR 14 -6.457 12.590 -0.146 95 HH TYR 14 HH TYR 14 -5.865 14.782 -1.506 96 HB2 TYR 14 2HB TYR 14 -6.322 8.841 -3.827 97 HB3 TYR 14 1HB TYR 14 -6.279 8.385 -2.125 98 H GLN 15 H GLN 15 -5.232 7.279 -0.949 99 HA GLN 15 HA GLN 15 -3.249 8.343 0.843 100 HB2 GLN 15 2HB GLN 15 -5.338 6.189 1.048 101 HB3 GLN 15 1HB GLN 15 -4.173 6.432 2.347 102 HG2 GLN 15 2HG GLN 15 -5.522 8.067 3.129 103 HG3 GLN 15 1HG GLN 15 -5.083 9.009 1.704 104 HE21 GLN 15 1HE2 GLN 15 -7.415 6.461 2.733 105 HE22 GLN 15 2HE2 GLN 15 -8.661 6.977 1.703 106 H LEU 16 H LEU 16 -3.725 5.267 -0.748 107 HA LEU 16 HA LEU 16 -1.844 3.570 0.287 108 HG LEU 16 HG LEU 16 -2.268 1.482 -2.571 109 HB2 LEU 16 2HB LEU 16 -3.330 3.572 -1.954 110 HB3 LEU 16 1HB LEU 16 -1.761 3.921 -2.674 111 HD11 LEU 16 1HD1 LEU 16 -0.029 1.939 -0.648 112 HD12 LEU 16 2HD1 LEU 16 0.080 2.678 -2.245 113 HD13 LEU 16 3HD1 LEU 16 -0.079 0.928 -2.091 114 HD21 LEU 16 3HD2 LEU 16 -1.707 1.249 0.278 115 HD22 LEU 16 1HD2 LEU 16 -2.991 0.505 -0.674 116 HD23 LEU 16 2HD2 LEU 16 -3.201 2.134 -0.029 117 H GLU 17 H GLU 17 -1.203 6.346 -1.806 118 HA GLU 17 HA GLU 17 1.639 5.804 -2.036 119 HB2 GLU 17 2HB GLU 17 0.730 7.054 -3.812 120 HB3 GLU 17 1HB GLU 17 -0.142 8.133 -2.726 121 HG2 GLU 17 2HG GLU 17 2.067 9.011 -1.919 122 HG3 GLU 17 1HG GLU 17 2.861 8.019 -3.143 123 H ASN 18 H ASN 18 -0.342 7.459 0.280 124 HA ASN 18 HA ASN 18 1.740 9.127 1.385 125 HB2 ASN 18 2HB ASN 18 -0.697 9.525 1.743 126 HB3 ASN 18 1HB ASN 18 -0.753 8.086 2.760 127 HD21 ASN 18 1HD2 ASN 18 0.605 8.137 4.776 128 HD22 ASN 18 2HD2 ASN 18 0.990 9.633 5.481 129 H TYR 19 H TYR 19 1.521 5.798 1.332 130 HA TYR 19 HA TYR 19 2.621 5.465 4.065 131 HD1 TYR 19 HD2 TYR 19 0.954 5.102 5.093 132 HD2 TYR 19 HD1 TYR 19 -0.224 2.709 1.724 133 HE1 TYR 19 HE2 TYR 19 -1.423 5.337 5.758 134 HE2 TYR 19 HE1 TYR 19 -2.603 2.943 2.389 135 HH TYR 19 HH TYR 19 -3.973 4.652 3.738 136 HB2 TYR 19 2HB TYR 19 2.021 3.375 1.949 137 HB3 TYR 19 1HB TYR 19 2.457 3.061 3.629 138 H CYS 20 H CYS 20 4.095 6.824 1.793 139 HA CYS 20 HA CYS 20 6.323 4.903 1.390 140 HB2 CYS 20 2HB CYS 20 5.277 6.623 -0.376 141 HB3 CYS 20 1HB CYS 20 6.500 7.672 0.304 142 H ASN 21 H ASN 21 8.483 6.531 1.281 143 HA ASN 21 HA ASN 21 8.783 7.334 4.128 144 HB2 ASN 21 2HB ASN 21 10.363 5.670 2.943 145 HB3 ASN 21 1HB ASN 21 11.009 7.081 2.105 146 HD21 ASN 21 1HD2 ASN 21 11.956 8.828 3.495 147 HD22 ASN 21 2HD2 ASN 21 12.563 8.435 5.031 148 HA PHE 1 HA PHE 1 -9.495 2.426 -12.747 149 HD1 PHE 1 HD2 PHE 1 -7.029 3.308 -14.456 150 HD2 PHE 1 HD1 PHE 1 -6.447 4.671 -10.422 151 HE1 PHE 1 HE2 PHE 1 -5.832 5.311 -15.303 152 HE2 PHE 1 HE1 PHE 1 -5.250 6.671 -11.269 153 HZ PHE 1 HZ PHE 1 -4.942 6.991 -13.709 154 H1 PHE 1 1H PHE 1 -9.245 4.709 -12.873 155 H2 PHE 1 2H PHE 1 -8.662 4.848 -11.283 156 H3 PHE 1 3H PHE 1 -10.308 4.532 -11.562 157 HB2 PHE 1 2HB PHE 1 -7.226 2.438 -10.849 158 HB3 PHE 1 1HB PHE 1 -7.317 1.792 -12.486 159 H VAL 2 H VAL 2 -10.483 0.774 -11.631 160 HA VAL 2 HA VAL 2 -10.894 1.210 -8.700 161 HB VAL 2 HB VAL 2 -12.924 1.240 -10.254 162 HG11 VAL 2 1HG1 VAL 2 -13.489 -0.598 -11.483 163 HG12 VAL 2 2HG1 VAL 2 -12.931 -1.720 -10.241 164 HG13 VAL 2 3HG1 VAL 2 -11.772 -0.980 -11.347 165 HG21 VAL 2 3HG2 VAL 2 -14.257 0.306 -8.583 166 HG22 VAL 2 1HG2 VAL 2 -12.753 0.578 -7.702 167 HG23 VAL 2 2HG2 VAL 2 -13.144 -1.033 -8.303 168 H ASN 3 H ASN 3 -11.324 -0.957 -7.534 169 HA ASN 3 HA ASN 3 -10.682 -3.166 -7.010 170 HB2 ASN 3 2HB ASN 3 -9.193 -3.314 -9.629 171 HB3 ASN 3 1HB ASN 3 -9.907 -4.628 -8.694 172 HD21 ASN 3 1HD2 ASN 3 -10.416 -2.936 -11.480 173 HD22 ASN 3 2HD2 ASN 3 -12.110 -3.018 -11.568 174 H GLN 4 H GLN 4 -9.326 -2.145 -5.396 175 HA GLN 4 HA GLN 4 -6.433 -2.219 -6.127 176 HB2 GLN 4 2HB GLN 4 -7.055 0.105 -5.872 177 HB3 GLN 4 1HB GLN 4 -7.890 -0.238 -4.357 178 HG2 GLN 4 2HG GLN 4 -5.787 0.644 -3.705 179 HG3 GLN 4 1HG GLN 4 -5.630 -1.099 -3.498 180 HE21 GLN 4 1HE2 GLN 4 -3.342 0.594 -3.934 181 HE22 GLN 4 2HE2 GLN 4 -2.676 0.196 -5.444 182 H HIS 5 H HIS 5 -6.522 -4.446 -5.273 183 HA HIS 5 HA HIS 5 -7.080 -4.714 -2.379 184 HD2 HIS 5 HD2 HIS 5 -9.070 -4.761 -4.598 185 HE1 HIS 5 HE1 HIS 5 -8.723 -7.724 -7.594 186 HE2 HIS 5 HE2 HIS 5 -10.003 -5.642 -6.861 187 HB2 HIS 5 2HB HIS 5 -5.921 -7.020 -3.825 188 HB3 HIS 5 1HB HIS 5 -7.327 -6.949 -2.767 189 H LEU 6 H LEU 6 -5.436 -5.422 -0.875 190 HA LEU 6 HA LEU 6 -2.651 -5.442 -1.857 191 HG LEU 6 HG LEU 6 -2.795 -2.292 -2.045 192 HB2 LEU 6 2HB LEU 6 -3.878 -3.278 -0.274 193 HB3 LEU 6 1HB LEU 6 -2.404 -3.911 0.421 194 HD11 LEU 6 1HD1 LEU 6 -1.436 -2.090 0.352 195 HD12 LEU 6 2HD1 LEU 6 -1.159 -1.082 -1.069 196 HD13 LEU 6 3HD1 LEU 6 -0.157 -2.504 -0.790 197 HD21 LEU 6 3HD2 LEU 6 -0.478 -3.277 -2.814 198 HD22 LEU 6 1HD2 LEU 6 -1.957 -4.117 -3.278 199 HD23 LEU 6 2HD2 LEU 6 -0.987 -4.708 -1.928 200 H CYS 7 H CYS 7 -1.477 -6.933 -0.846 201 HA CYS 7 HA CYS 7 -1.963 -7.616 1.959 202 HB2 CYS 7 2HB CYS 7 -2.431 -9.677 -0.236 203 HB3 CYS 7 1HB CYS 7 -2.361 -10.036 1.486 204 H GLY 8 H GLY 8 -0.014 -8.170 2.822 205 HA2 GLY 8 2HA GLY 8 2.358 -8.379 2.800 206 HA3 GLY 8 1HA GLY 8 1.885 -9.950 2.169 207 H SER 9 H SER 9 2.918 -10.493 0.346 208 HA SER 9 HA SER 9 4.767 -9.034 -1.068 209 HG SER 9 HG SER 9 5.243 -10.734 -3.392 210 HB2 SER 9 2HB SER 9 3.478 -11.488 -1.438 211 HB3 SER 9 1HB SER 9 3.186 -10.610 -2.937 212 H ASP 10 H ASP 10 1.296 -9.208 -1.931 213 HA ASP 10 HA ASP 10 1.529 -7.325 -4.091 214 HB2 ASP 10 2HB ASP 10 -0.959 -7.843 -2.455 215 HB3 ASP 10 1HB ASP 10 -0.856 -7.375 -4.147 216 H LEU 11 H LEU 11 1.360 -7.027 -0.672 217 HA LEU 11 HA LEU 11 0.290 -4.400 -0.384 218 HG LEU 11 HG LEU 11 2.162 -3.661 2.403 219 HB2 LEU 11 2HB LEU 11 0.848 -6.127 1.439 220 HB3 LEU 11 1HB LEU 11 2.520 -5.611 1.278 221 HD11 LEU 11 1HD1 LEU 11 -0.553 -3.604 1.078 222 HD12 LEU 11 2HD1 LEU 11 0.828 -2.551 0.761 223 HD13 LEU 11 3HD1 LEU 11 -0.049 -2.422 2.285 224 HD21 LEU 11 3HD2 LEU 11 0.990 -4.188 4.268 225 HD22 LEU 11 1HD2 LEU 11 0.734 -5.739 3.468 226 HD23 LEU 11 2HD2 LEU 11 -0.496 -4.480 3.365 227 H VAL 12 H VAL 12 3.684 -5.491 -0.757 228 HA VAL 12 HA VAL 12 4.706 -2.787 -0.895 229 HB VAL 12 HB VAL 12 6.730 -3.982 -1.925 230 HG11 VAL 12 1HG1 VAL 12 7.389 -4.919 0.235 231 HG12 VAL 12 2HG1 VAL 12 5.701 -4.996 0.742 232 HG13 VAL 12 3HG1 VAL 12 6.479 -3.432 0.498 233 HG21 VAL 12 3HG2 VAL 12 5.282 -6.465 -1.008 234 HG22 VAL 12 1HG2 VAL 12 6.750 -6.349 -1.980 235 HG23 VAL 12 2HG2 VAL 12 5.191 -5.916 -2.681 236 H GLU 13 H GLU 13 3.215 -4.962 -3.132 237 HA GLU 13 HA GLU 13 4.228 -3.936 -5.593 238 HB2 GLU 13 2HB GLU 13 2.728 -5.995 -5.213 239 HB3 GLU 13 1HB GLU 13 1.377 -4.861 -5.175 240 HG2 GLU 13 2HG GLU 13 2.836 -4.091 -7.424 241 HG3 GLU 13 1HG GLU 13 2.888 -5.855 -7.464 242 H ALA 14 H ALA 14 1.223 -3.081 -3.830 243 HA ALA 14 HA ALA 14 0.511 -0.864 -5.470 244 HB1 ALA 14 3HB ALA 14 -1.026 -1.813 -3.799 245 HB2 ALA 14 1HB ALA 14 -0.783 -0.092 -3.496 246 HB3 ALA 14 2HB ALA 14 0.050 -1.288 -2.504 247 H LEU 15 H LEU 15 2.301 -0.977 -2.402 248 HA LEU 15 HA LEU 15 2.989 1.772 -2.270 249 HG LEU 15 HG LEU 15 2.361 -0.728 -0.364 250 HB2 LEU 15 2HB LEU 15 4.596 -0.624 -1.315 251 HB3 LEU 15 1HB LEU 15 4.798 1.034 -0.765 252 HD11 LEU 15 1HD1 LEU 15 3.267 0.422 2.031 253 HD12 LEU 15 2HD1 LEU 15 4.729 -0.086 1.185 254 HD13 LEU 15 3HD1 LEU 15 3.457 -1.258 1.530 255 HD21 LEU 15 3HD2 LEU 15 1.804 1.682 -0.877 256 HD22 LEU 15 1HD2 LEU 15 2.784 2.150 0.510 257 HD23 LEU 15 2HD2 LEU 15 1.332 1.176 0.743 258 H TYR 16 H TYR 16 4.496 -0.943 -3.965 259 HA TYR 16 HA TYR 16 6.939 0.274 -4.697 260 HD1 TYR 16 HD2 TYR 16 8.640 -0.274 -5.482 261 HD2 TYR 16 HD1 TYR 16 6.459 -3.954 -5.075 262 HE1 TYR 16 HE2 TYR 16 10.685 -1.392 -4.631 263 HE2 TYR 16 HE1 TYR 16 8.503 -5.073 -4.225 264 HH TYR 16 HH TYR 16 11.050 -4.679 -4.468 265 HB2 TYR 16 2HB TYR 16 5.310 -1.978 -5.633 266 HB3 TYR 16 1HB TYR 16 6.256 -1.228 -6.919 267 H LEU 17 H LEU 17 4.141 -0.042 -6.906 268 HA LEU 17 HA LEU 17 5.047 1.774 -8.832 269 HG LEU 17 HG LEU 17 2.480 0.633 -6.775 270 HB2 LEU 17 2HB LEU 17 2.517 2.153 -9.277 271 HB3 LEU 17 1HB LEU 17 3.181 0.534 -9.478 272 HD11 LEU 17 1HD1 LEU 17 0.115 1.661 -8.324 273 HD12 LEU 17 2HD1 LEU 17 1.223 2.777 -7.524 274 HD13 LEU 17 3HD1 LEU 17 0.341 1.578 -6.576 275 HD21 LEU 17 3HD2 LEU 17 2.052 -1.367 -7.876 276 HD22 LEU 17 1HD2 LEU 17 1.344 -0.563 -9.277 277 HD23 LEU 17 2HD2 LEU 17 0.419 -0.709 -7.783 278 H VAL 18 H VAL 18 3.705 2.538 -5.684 279 HA VAL 18 HA VAL 18 3.343 5.372 -6.482 280 HB VAL 18 HB VAL 18 2.500 5.695 -4.188 281 HG11 VAL 18 1HG1 VAL 18 1.013 4.844 -6.026 282 HG12 VAL 18 2HG1 VAL 18 0.487 4.375 -4.408 283 HG13 VAL 18 3HG1 VAL 18 1.316 3.209 -5.439 284 HG21 VAL 18 3HG2 VAL 18 3.909 4.091 -3.011 285 HG22 VAL 18 1HG2 VAL 18 3.166 2.761 -3.898 286 HG23 VAL 18 2HG2 VAL 18 2.215 3.686 -2.741 287 H CYS 19 H CYS 19 5.200 3.449 -4.203 288 HA CYS 19 HA CYS 19 6.774 5.632 -3.186 289 HB2 CYS 19 2HB CYS 19 6.906 2.647 -3.079 290 HB3 CYS 19 1HB CYS 19 8.375 3.541 -2.705 291 H GLY 20 H GLY 20 7.660 2.962 -5.391 292 HA2 GLY 20 2HA GLY 20 9.081 3.026 -7.290 293 HA3 GLY 20 1HA GLY 20 9.274 4.766 -7.046 294 H GLU 21 H GLU 21 11.631 4.109 -7.469 295 HA GLU 21 HA GLU 21 13.027 2.626 -5.410 296 HB2 GLU 21 2HB GLU 21 13.794 3.006 -7.829 297 HB3 GLU 21 1HB GLU 21 14.281 4.619 -7.306 298 HG2 GLU 21 2HG GLU 21 16.241 3.340 -7.021 299 HG3 GLU 21 1HG GLU 21 15.543 3.386 -5.401 300 H ARG 22 H ARG 22 11.498 4.468 -4.070 301 HA ARG 22 HA ARG 22 13.514 6.431 -3.095 302 HE ARG 22 HE ARG 22 12.645 10.632 -4.847 303 HB2 ARG 22 2HB ARG 22 10.611 6.686 -3.681 304 HB3 ARG 22 1HB ARG 22 11.162 7.443 -2.186 305 HG2 ARG 22 2HG ARG 22 13.064 8.027 -4.249 306 HG3 ARG 22 1HG ARG 22 11.451 8.420 -4.847 307 HD2 ARG 22 2HD ARG 22 11.016 9.776 -2.850 308 HD3 ARG 22 1HD ARG 22 12.599 9.351 -2.198 309 HH11 ARG 22 1HH2 ARG 22 14.693 10.551 -2.476 310 HH12 ARG 22 2HH2 ARG 22 14.697 12.228 -2.041 311 HH21 ARG 22 1HH1 ARG 22 11.828 12.975 -3.840 312 HH22 ARG 22 2HH1 ARG 22 13.078 13.601 -2.816 313 H GLY 23 H GLY 23 11.619 3.676 -2.427 314 HA2 GLY 23 2HA GLY 23 12.082 2.402 -0.387 315 HA3 GLY 23 1HA GLY 23 12.343 3.925 0.460 316 H PHE 24 H PHE 24 10.299 1.462 0.491 317 HA PHE 24 HA PHE 24 7.871 3.172 0.836 318 HD1 PHE 24 HD2 PHE 24 9.298 1.441 -1.925 319 HD2 PHE 24 HD1 PHE 24 7.969 -1.406 1.006 320 HE1 PHE 24 HE2 PHE 24 10.868 -0.244 -2.849 321 HE2 PHE 24 HE1 PHE 24 9.536 -3.092 0.082 322 HZ PHE 24 HZ PHE 24 10.987 -2.511 -1.846 323 HB2 PHE 24 2HB PHE 24 6.857 0.655 0.800 324 HB3 PHE 24 1HB PHE 24 7.049 1.627 -0.652 325 H PHE 25 H PHE 25 6.280 1.877 2.437 326 HA PHE 25 HA PHE 25 7.834 0.896 4.781 327 HD1 PHE 25 HD1 PHE 25 8.589 1.178 6.474 328 HD2 PHE 25 HD2 PHE 25 4.998 3.403 7.261 329 HE1 PHE 25 HE1 PHE 25 8.813 0.682 8.894 330 HE2 PHE 25 HE2 PHE 25 5.222 2.907 9.683 331 HZ PHE 25 HZ PHE 25 7.130 1.546 10.498 332 HB2 PHE 25 2HB PHE 25 7.355 3.392 4.962 333 HB3 PHE 25 1HB PHE 25 5.643 2.971 5.032 334 H TYR 26 H TYR 26 6.904 -1.182 4.148 335 HA TYR 26 HA TYR 26 3.973 -1.463 4.225 336 HD1 TYR 26 HD1 TYR 26 2.789 -3.415 4.811 337 HD2 TYR 26 HD2 TYR 26 6.226 -5.667 3.540 338 HE1 TYR 26 HE1 TYR 26 1.728 -5.498 5.631 339 HE2 TYR 26 HE2 TYR 26 5.162 -7.746 4.362 340 HH TYR 26 HH TYR 26 2.716 -7.862 6.459 341 HB2 TYR 26 2HB TYR 26 4.896 -2.913 2.634 342 HB3 TYR 26 1HB TYR 26 6.305 -3.261 3.617 343 H THR 27 H THR 27 4.213 -0.464 6.576 344 HA THR 27 HA THR 27 5.158 -2.345 8.610 345 HB THR 27 HB THR 27 5.311 0.024 9.092 346 HG1 THR 27 HG1 THR 27 3.091 -0.799 10.606 347 HG21 THR 27 3HG2 THR 27 3.116 1.320 9.335 348 HG22 THR 27 1HG2 THR 27 2.361 0.001 8.441 349 HG23 THR 27 2HG2 THR 27 3.633 0.962 7.687 350 H LYS 28 H LYS 28 3.506 -2.863 10.455 351 HA LYS 28 HA LYS 28 0.754 -3.282 9.499 352 HB2 LYS 28 2HB LYS 28 1.428 -5.817 10.518 353 HB3 LYS 28 1HB LYS 28 1.054 -5.419 8.844 354 HG2 LYS 28 2HG LYS 28 3.175 -6.466 8.735 355 HG3 LYS 28 1HG LYS 28 3.540 -4.744 8.643 356 HD2 LYS 28 2HD LYS 28 4.206 -4.658 10.932 357 HD3 LYS 28 1HD LYS 28 3.512 -6.245 11.266 358 HE2 LYS 28 2HE LYS 28 5.228 -7.379 10.142 359 HE3 LYS 28 1HE LYS 28 5.680 -5.957 9.200 360 HZ1 LYS 28 3HZ LYS 28 7.326 -6.148 10.818 361 HZ2 LYS 28 1HZ LYS 28 6.223 -6.523 12.050 362 HZ3 LYS 28 2HZ LYS 28 6.297 -4.942 11.430 363 HA PRO 29 HA PRO 29 0.064 -2.735 13.787 364 HB2 PRO 29 2HB PRO 29 -2.538 -3.620 13.875 365 HB3 PRO 29 1HB PRO 29 -2.057 -2.040 13.228 366 HG2 PRO 29 2HG PRO 29 -2.890 -4.498 11.757 367 HG3 PRO 29 1HG PRO 29 -3.025 -2.800 11.272 368 HD2 PRO 29 2HD PRO 29 -1.065 -4.618 10.362 369 HD3 PRO 29 1HD PRO 29 -1.009 -2.853 10.183 370 H THR 30 H THR 30 -1.604 -4.328 15.399 371 HA THR 30 HA THR 30 -0.067 -6.886 15.437 372 HB THR 30 HB THR 30 -1.706 -6.280 17.791 373 HG1 THR 30 HG1 THR 30 -1.003 -4.350 18.179 374 HG21 THR 30 3HG2 THR 30 0.304 -6.907 18.943 375 HG22 THR 30 1HG2 THR 30 1.285 -6.629 17.505 376 HG23 THR 30 2HG2 THR 30 0.155 -7.982 17.553 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -0.924 0.777 9.992 2 H2 GLY 1 2H GLY 1 -0.903 -0.887 10.337 3 H3 GLY 1 3H GLY 1 -1.408 0.221 11.521 4 HA2 GLY 1 1HA GLY 1 -3.153 -1.036 10.026 5 HA3 GLY 1 2HA GLY 1 -3.494 0.602 10.661 6 H ILE 2 H ILE 2 -1.165 -0.272 8.122 7 HA ILE 2 HA ILE 2 -3.062 0.250 5.976 8 HB ILE 2 HB ILE 2 -0.851 1.038 5.588 9 HG12 ILE 2 2HG1 ILE 2 0.037 -0.525 3.715 10 HG13 ILE 2 1HG1 ILE 2 -1.367 -1.528 4.052 11 HG21 ILE 2 1HG2 ILE 2 -0.128 -1.450 6.920 12 HG22 ILE 2 2HG2 ILE 2 0.714 0.098 6.872 13 HG23 ILE 2 3HG2 ILE 2 0.912 -1.054 5.553 14 HD11 ILE 2 3HD1 ILE 2 -1.244 1.224 2.852 15 HD12 ILE 2 1HD1 ILE 2 -2.685 0.753 3.754 16 HD13 ILE 2 2HD1 ILE 2 -2.187 -0.175 2.339 17 H THR 3 H THR 3 -1.511 -2.598 7.371 18 HA THR 3 HA THR 3 -2.562 -4.373 5.288 19 HB THR 3 HB THR 3 -1.174 -4.862 7.936 20 HG1 THR 3 HG1 THR 3 0.380 -5.735 6.392 21 HG21 THR 3 3HG2 THR 3 -2.264 -6.839 5.919 22 HG22 THR 3 1HG2 THR 3 -2.687 -6.714 7.626 23 HG23 THR 3 2HG2 THR 3 -1.077 -7.259 7.154 24 H GLU 4 H GLU 4 -3.775 -2.879 8.087 25 HA GLU 4 HA GLU 4 -5.817 -4.996 8.517 26 HB2 GLU 4 2HB GLU 4 -4.442 -3.626 10.366 27 HB3 GLU 4 1HB GLU 4 -5.777 -2.495 10.144 28 HG2 GLU 4 2HG GLU 4 -6.810 -3.822 11.689 29 HG3 GLU 4 1HG GLU 4 -7.149 -4.836 10.286 30 H GLN 5 H GLN 5 -5.811 -3.288 6.109 31 HA GLN 5 HA GLN 5 -8.603 -2.534 6.139 32 HB2 GLN 5 2HB GLN 5 -7.165 -0.586 7.301 33 HB3 GLN 5 1HB GLN 5 -6.885 -0.146 5.615 34 HG2 GLN 5 2HG GLN 5 -9.545 -0.585 5.513 35 HG3 GLN 5 1HG GLN 5 -9.400 -0.078 7.197 36 HE21 GLN 5 1HE2 GLN 5 -7.765 1.966 7.369 37 HE22 GLN 5 2HE2 GLN 5 -8.088 3.204 6.253 38 H CYS 6 H CYS 6 -5.431 -2.123 4.610 39 HA CYS 6 HA CYS 6 -6.631 -1.900 1.940 40 HB2 CYS 6 2HB CYS 6 -3.802 -1.973 2.984 41 HB3 CYS 6 1HB CYS 6 -4.142 -2.051 1.264 42 H CYS 7 H CYS 7 -6.180 -4.409 4.004 43 HA CYS 7 HA CYS 7 -5.770 -6.314 1.738 44 HB2 CYS 7 2HB CYS 7 -3.855 -6.473 3.143 45 HB3 CYS 7 1HB CYS 7 -4.824 -6.439 4.609 46 H THR 8 H THR 8 -8.023 -5.065 3.773 47 HA THR 8 HA THR 8 -9.504 -7.647 4.031 48 HB THR 8 HB THR 8 -9.194 -6.383 6.147 49 HG1 THR 8 HG1 THR 8 -11.872 -5.965 5.543 50 HG21 THR 8 3HG2 THR 8 -10.709 -4.218 4.662 51 HG22 THR 8 1HG2 THR 8 -9.037 -4.129 5.217 52 HG23 THR 8 2HG2 THR 8 -10.353 -4.195 6.389 53 H SER 9 H SER 9 -9.312 -4.695 2.329 54 HA SER 9 HA SER 9 -11.796 -5.342 0.866 55 HG SER 9 HG SER 9 -13.587 -3.450 0.738 56 HB2 SER 9 2HB SER 9 -12.551 -3.785 2.618 57 HB3 SER 9 1HB SER 9 -11.289 -2.643 2.164 58 H ILE 10 H ILE 10 -11.410 -2.389 -0.179 59 HA ILE 10 HA ILE 10 -9.009 -2.999 -1.858 60 HB ILE 10 HB ILE 10 -11.383 -1.435 -2.876 61 HG12 ILE 10 2HG1 ILE 10 -12.255 -3.633 -2.224 62 HG13 ILE 10 1HG1 ILE 10 -12.132 -3.543 -3.981 63 HG21 ILE 10 1HG2 ILE 10 -10.444 -2.111 -5.056 64 HG22 ILE 10 2HG2 ILE 10 -9.183 -3.027 -4.231 65 HG23 ILE 10 3HG2 ILE 10 -9.234 -1.270 -4.087 66 HD11 ILE 10 3HD1 ILE 10 -11.122 -5.596 -2.508 67 HD12 ILE 10 1HD1 ILE 10 -9.712 -4.543 -2.602 68 HD13 ILE 10 2HD1 ILE 10 -10.484 -5.114 -4.080 69 H CYS 11 H CYS 11 -7.494 -1.397 -1.814 70 HA CYS 11 HA CYS 11 -8.265 1.165 -0.501 71 HB2 CYS 11 2HB CYS 11 -5.744 -0.411 -0.714 72 HB3 CYS 11 1HB CYS 11 -5.588 1.343 -0.651 73 H SER 12 H SER 12 -7.210 3.152 -1.394 74 HA SER 12 HA SER 12 -7.060 3.007 -4.379 75 HG SER 12 HG SER 12 -8.328 6.359 -2.481 76 HB2 SER 12 2HB SER 12 -7.971 5.212 -4.473 77 HB3 SER 12 1HB SER 12 -8.962 4.346 -3.303 78 H LEU 13 H LEU 13 -5.102 3.534 -5.240 79 HA LEU 13 HA LEU 13 -2.775 3.853 -3.854 80 HG LEU 13 HG LEU 13 -2.837 5.718 -7.602 81 HB2 LEU 13 2HB LEU 13 -1.727 4.566 -5.771 82 HB3 LEU 13 1HB LEU 13 -3.135 3.717 -6.373 83 HD11 LEU 13 1HD1 LEU 13 -5.035 6.084 -7.716 84 HD12 LEU 13 2HD1 LEU 13 -5.058 6.806 -6.109 85 HD13 LEU 13 3HD1 LEU 13 -5.189 5.059 -6.292 86 HD21 LEU 13 3HD2 LEU 13 -3.389 7.673 -5.515 87 HD22 LEU 13 1HD2 LEU 13 -2.169 7.704 -6.789 88 HD23 LEU 13 2HD2 LEU 13 -1.853 6.837 -5.286 89 H TYR 14 H TYR 14 -5.189 6.266 -4.340 90 HA TYR 14 HA TYR 14 -3.997 8.690 -3.847 91 HD1 TYR 14 HD1 TYR 14 -5.933 9.563 -5.423 92 HD2 TYR 14 HD2 TYR 14 -6.310 10.442 -1.234 93 HE1 TYR 14 HE1 TYR 14 -6.215 11.971 -5.954 94 HE2 TYR 14 HE2 TYR 14 -6.591 12.849 -1.763 95 HH TYR 14 HH TYR 14 -6.467 14.016 -5.135 96 HB2 TYR 14 2HB TYR 14 -6.586 7.796 -3.595 97 HB3 TYR 14 1HB TYR 14 -6.185 8.214 -1.934 98 H GLN 15 H GLN 15 -5.193 6.819 -1.094 99 HA GLN 15 HA GLN 15 -3.412 8.112 0.766 100 HB2 GLN 15 2HB GLN 15 -5.412 5.935 0.841 101 HB3 GLN 15 1HB GLN 15 -4.148 5.844 2.066 102 HG2 GLN 15 2HG GLN 15 -5.744 8.360 1.530 103 HG3 GLN 15 1HG GLN 15 -6.208 7.170 2.745 104 HE21 GLN 15 1HE2 GLN 15 -5.634 9.659 3.752 105 HE22 GLN 15 2HE2 GLN 15 -4.116 9.674 4.511 106 H LEU 16 H LEU 16 -3.414 5.092 -0.989 107 HA LEU 16 HA LEU 16 -1.332 3.651 0.148 108 HG LEU 16 HG LEU 16 -0.429 1.814 -1.465 109 HB2 LEU 16 2HB LEU 16 -2.750 3.602 -2.260 110 HB3 LEU 16 1HB LEU 16 -1.068 3.764 -2.758 111 HD11 LEU 16 1HD1 LEU 16 -1.613 1.521 0.447 112 HD12 LEU 16 2HD1 LEU 16 -2.747 0.626 -0.564 113 HD13 LEU 16 3HD1 LEU 16 -3.037 2.329 -0.210 114 HD21 LEU 16 3HD2 LEU 16 -2.740 0.481 -2.515 115 HD22 LEU 16 1HD2 LEU 16 -1.109 0.539 -3.176 116 HD23 LEU 16 2HD2 LEU 16 -2.281 1.777 -3.621 117 H GLU 17 H GLU 17 -1.135 6.553 -1.826 118 HA GLU 17 HA GLU 17 1.727 6.346 -2.211 119 HB2 GLU 17 2HB GLU 17 0.515 7.562 -3.859 120 HB3 GLU 17 1HB GLU 17 -0.242 8.586 -2.639 121 HG2 GLU 17 2HG GLU 17 2.031 9.456 -2.039 122 HG3 GLU 17 1HG GLU 17 2.702 8.513 -3.370 123 H ASN 18 H ASN 18 -0.237 7.532 0.372 124 HA ASN 18 HA ASN 18 1.848 9.302 1.417 125 HB2 ASN 18 2HB ASN 18 -0.899 8.686 2.084 126 HB3 ASN 18 1HB ASN 18 0.110 8.607 3.524 127 HD21 ASN 18 1HD2 ASN 18 0.030 10.602 4.565 128 HD22 ASN 18 2HD2 ASN 18 0.093 12.109 3.787 129 H TYR 19 H TYR 19 1.084 5.951 1.549 130 HA TYR 19 HA TYR 19 2.690 5.489 3.973 131 HD1 TYR 19 HD2 TYR 19 0.760 5.406 5.063 132 HD2 TYR 19 HD1 TYR 19 -0.560 2.972 1.778 133 HE1 TYR 19 HE2 TYR 19 -1.599 5.846 5.677 134 HE2 TYR 19 HE1 TYR 19 -2.915 3.411 2.387 135 HH TYR 19 HH TYR 19 -3.730 5.497 5.174 136 HB2 TYR 19 2HB TYR 19 1.707 3.393 2.033 137 HB3 TYR 19 1HB TYR 19 2.111 3.189 3.735 138 H CYS 20 H CYS 20 3.429 6.243 0.836 139 HA CYS 20 HA CYS 20 5.465 4.260 0.305 140 HB2 CYS 20 2HB CYS 20 5.939 5.454 -1.606 141 HB3 CYS 20 1HB CYS 20 4.352 6.060 -1.324 142 H ASN 21 H ASN 21 7.729 5.757 -0.219 143 HA ASN 21 HA ASN 21 8.988 5.828 2.349 144 HB2 ASN 21 2HB ASN 21 10.217 5.479 0.205 145 HB3 ASN 21 1HB ASN 21 9.919 7.168 -0.210 146 HD21 ASN 21 1HD2 ASN 21 11.894 8.231 0.093 147 HD22 ASN 21 2HD2 ASN 21 12.863 8.091 1.480 148 HA PHE 1 HA PHE 1 -9.226 3.434 -11.154 149 HD1 PHE 1 HD2 PHE 1 -7.505 4.046 -9.495 150 HD2 PHE 1 HD1 PHE 1 -11.346 5.532 -8.266 151 HE1 PHE 1 HE2 PHE 1 -6.498 6.264 -9.027 152 HE2 PHE 1 HE1 PHE 1 -10.339 7.749 -7.797 153 HZ PHE 1 HZ PHE 1 -7.914 8.116 -8.177 154 H1 PHE 1 1H PHE 1 -11.606 4.568 -10.613 155 H2 PHE 1 2H PHE 1 -12.079 3.190 -11.488 156 H3 PHE 1 3H PHE 1 -10.995 4.305 -12.173 157 HB2 PHE 1 2HB PHE 1 -11.107 3.265 -8.803 158 HB3 PHE 1 1HB PHE 1 -9.505 2.526 -8.743 159 H VAL 2 H VAL 2 -8.439 1.207 -10.511 160 HA VAL 2 HA VAL 2 -10.318 -0.847 -11.596 161 HB VAL 2 HB VAL 2 -7.336 -1.206 -11.377 162 HG11 VAL 2 1HG1 VAL 2 -8.250 -2.364 -13.699 163 HG12 VAL 2 2HG1 VAL 2 -9.638 -2.551 -12.627 164 HG13 VAL 2 3HG1 VAL 2 -8.069 -3.207 -12.160 165 HG21 VAL 2 3HG2 VAL 2 -8.879 0.508 -13.280 166 HG22 VAL 2 1HG2 VAL 2 -7.568 -0.471 -13.940 167 HG23 VAL 2 2HG2 VAL 2 -7.236 0.708 -12.670 168 H ASN 3 H ASN 3 -10.236 -2.974 -10.566 169 HA ASN 3 HA ASN 3 -10.461 -2.943 -7.766 170 HB2 ASN 3 2HB ASN 3 -9.444 -5.395 -9.192 171 HB3 ASN 3 1HB ASN 3 -10.604 -5.285 -7.868 172 HD21 ASN 3 1HD2 ASN 3 -12.726 -4.049 -8.498 173 HD22 ASN 3 2HD2 ASN 3 -13.335 -4.344 -10.054 174 H GLN 4 H GLN 4 -8.903 -2.480 -6.281 175 HA GLN 4 HA GLN 4 -6.111 -3.339 -6.899 176 HB2 GLN 4 2HB GLN 4 -6.234 -0.927 -7.006 177 HB3 GLN 4 1HB GLN 4 -7.101 -0.859 -5.472 178 HG2 GLN 4 2HG GLN 4 -4.887 -0.347 -4.864 179 HG3 GLN 4 1HG GLN 4 -5.020 -2.063 -4.487 180 HE21 GLN 4 1HE2 GLN 4 -2.644 -0.307 -5.424 181 HE22 GLN 4 2HE2 GLN 4 -2.004 -1.167 -6.740 182 H HIS 5 H HIS 5 -5.955 -5.202 -5.671 183 HA HIS 5 HA HIS 5 -6.858 -5.091 -2.838 184 HD2 HIS 5 HD2 HIS 5 -8.382 -5.177 -5.239 185 HE1 HIS 5 HE1 HIS 5 -9.728 -9.036 -6.323 186 HE2 HIS 5 HE2 HIS 5 -10.119 -6.535 -6.619 187 HB2 HIS 5 2HB HIS 5 -5.636 -7.501 -4.176 188 HB3 HIS 5 1HB HIS 5 -6.738 -7.447 -2.807 189 H LEU 6 H LEU 6 -5.347 -4.893 -1.208 190 HA LEU 6 HA LEU 6 -2.485 -5.287 -1.954 191 HG LEU 6 HG LEU 6 -2.704 -2.216 -2.615 192 HB2 LEU 6 2HB LEU 6 -3.853 -2.952 -0.756 193 HB3 LEU 6 1HB LEU 6 -2.402 -3.443 0.092 194 HD11 LEU 6 1HD1 LEU 6 -1.143 -0.795 -1.788 195 HD12 LEU 6 2HD1 LEU 6 -0.167 -2.100 -1.116 196 HD13 LEU 6 3HD1 LEU 6 -1.568 -1.498 -0.229 197 HD21 LEU 6 3HD2 LEU 6 -0.863 -4.520 -2.020 198 HD22 LEU 6 1HD2 LEU 6 -0.256 -3.191 -2.999 199 HD23 LEU 6 2HD2 LEU 6 -1.670 -4.101 -3.529 200 H CYS 7 H CYS 7 -1.264 -6.444 -0.525 201 HA CYS 7 HA CYS 7 -1.870 -6.763 2.249 202 HB2 CYS 7 2HB CYS 7 -3.805 -8.010 1.038 203 HB3 CYS 7 1HB CYS 7 -2.586 -9.221 0.643 204 H GLY 8 H GLY 8 -0.067 -7.694 3.214 205 HA2 GLY 8 2HA GLY 8 2.177 -8.424 3.268 206 HA3 GLY 8 1HA GLY 8 1.522 -9.789 2.365 207 H SER 9 H SER 9 3.104 -10.114 0.836 208 HA SER 9 HA SER 9 4.816 -8.350 -0.402 209 HG SER 9 HG SER 9 3.289 -11.788 -1.236 210 HB2 SER 9 2HB SER 9 4.564 -9.845 -2.477 211 HB3 SER 9 1HB SER 9 5.022 -10.643 -0.975 212 H ASP 10 H ASP 10 1.515 -9.091 -1.603 213 HA ASP 10 HA ASP 10 1.489 -7.323 -3.781 214 HB2 ASP 10 2HB ASP 10 -0.822 -7.849 -1.889 215 HB3 ASP 10 1HB ASP 10 -0.930 -7.334 -3.570 216 H LEU 11 H LEU 11 0.955 -6.684 -0.347 217 HA LEU 11 HA LEU 11 0.071 -3.994 -0.531 218 HG LEU 11 HG LEU 11 1.907 -3.063 2.212 219 HB2 LEU 11 2HB LEU 11 0.043 -5.313 1.560 220 HB3 LEU 11 1HB LEU 11 1.803 -5.299 1.599 221 HD11 LEU 11 1HD1 LEU 11 0.789 -1.950 0.473 222 HD12 LEU 11 2HD1 LEU 11 -0.196 -1.570 1.886 223 HD13 LEU 11 3HD1 LEU 11 -0.714 -2.826 0.763 224 HD21 LEU 11 3HD2 LEU 11 0.687 -4.351 3.949 225 HD22 LEU 11 1HD2 LEU 11 -0.838 -3.881 3.199 226 HD23 LEU 11 2HD2 LEU 11 0.202 -2.655 3.923 227 H VAL 12 H VAL 12 3.432 -5.219 -0.147 228 HA VAL 12 HA VAL 12 4.596 -2.594 -0.376 229 HB VAL 12 HB VAL 12 6.704 -3.888 -0.936 230 HG11 VAL 12 1HG1 VAL 12 6.303 -3.299 1.350 231 HG12 VAL 12 2HG1 VAL 12 6.758 -5.003 1.348 232 HG13 VAL 12 3HG1 VAL 12 5.065 -4.544 1.518 233 HG21 VAL 12 3HG2 VAL 12 5.402 -5.801 -1.973 234 HG22 VAL 12 1HG2 VAL 12 4.954 -6.284 -0.337 235 HG23 VAL 12 2HG2 VAL 12 6.648 -6.288 -0.824 236 H GLU 13 H GLU 13 3.511 -4.964 -2.705 237 HA GLU 13 HA GLU 13 4.955 -4.074 -4.988 238 HB2 GLU 13 2HB GLU 13 3.440 -6.120 -4.807 239 HB3 GLU 13 1HB GLU 13 2.078 -5.018 -5.014 240 HG2 GLU 13 2HG GLU 13 3.147 -4.206 -7.142 241 HG3 GLU 13 1HG GLU 13 4.357 -5.476 -6.959 242 H ALA 14 H ALA 14 1.619 -3.196 -4.034 243 HA ALA 14 HA ALA 14 1.331 -1.083 -5.903 244 HB1 ALA 14 3HB ALA 14 -0.567 -0.404 -4.616 245 HB2 ALA 14 1HB ALA 14 0.073 -1.152 -3.152 246 HB3 ALA 14 2HB ALA 14 -0.488 -2.158 -4.490 247 H LEU 15 H LEU 15 2.694 -1.122 -2.640 248 HA LEU 15 HA LEU 15 3.075 1.748 -2.487 249 HG LEU 15 HG LEU 15 2.106 -0.510 -0.413 250 HB2 LEU 15 2HB LEU 15 4.430 -0.520 -0.992 251 HB3 LEU 15 1HB LEU 15 4.607 1.186 -0.597 252 HD11 LEU 15 1HD1 LEU 15 2.350 -0.251 1.852 253 HD12 LEU 15 2HD1 LEU 15 3.093 1.341 1.695 254 HD13 LEU 15 3HD1 LEU 15 4.047 -0.111 1.392 255 HD21 LEU 15 3HD2 LEU 15 0.936 1.587 0.231 256 HD22 LEU 15 1HD2 LEU 15 1.498 1.657 -1.440 257 HD23 LEU 15 2HD2 LEU 15 2.382 2.511 -0.175 258 H TYR 16 H TYR 16 4.905 -1.006 -3.657 259 HA TYR 16 HA TYR 16 7.453 0.227 -3.942 260 HD1 TYR 16 HD2 TYR 16 9.493 -0.562 -4.926 261 HD2 TYR 16 HD1 TYR 16 6.975 -3.790 -3.616 262 HE1 TYR 16 HE2 TYR 16 11.406 -1.556 -3.700 263 HE2 TYR 16 HE1 TYR 16 8.889 -4.783 -2.389 264 HH TYR 16 HH TYR 16 11.865 -4.283 -2.913 265 HB2 TYR 16 2HB TYR 16 6.080 -2.146 -4.989 266 HB3 TYR 16 1HB TYR 16 7.199 -1.441 -6.154 267 H LEU 17 H LEU 17 4.445 0.734 -5.520 268 HA LEU 17 HA LEU 17 5.713 2.033 -7.859 269 HG LEU 17 HG LEU 17 3.205 -0.103 -6.662 270 HB2 LEU 17 2HB LEU 17 2.766 2.164 -7.432 271 HB3 LEU 17 1HB LEU 17 3.674 1.872 -8.913 272 HD11 LEU 17 1HD1 LEU 17 1.334 -0.481 -7.882 273 HD12 LEU 17 2HD1 LEU 17 2.413 -1.215 -9.068 274 HD13 LEU 17 3HD1 LEU 17 1.929 0.472 -9.241 275 HD21 LEU 17 3HD2 LEU 17 4.634 -1.621 -7.754 276 HD22 LEU 17 1HD2 LEU 17 5.513 -0.097 -7.883 277 HD23 LEU 17 2HD2 LEU 17 4.601 -0.708 -9.264 278 H VAL 18 H VAL 18 3.572 2.906 -5.112 279 HA VAL 18 HA VAL 18 3.210 5.600 -5.716 280 HB VAL 18 HB VAL 18 3.208 6.005 -3.194 281 HG11 VAL 18 1HG1 VAL 18 1.247 4.196 -3.024 282 HG12 VAL 18 2HG1 VAL 18 1.523 4.121 -4.765 283 HG13 VAL 18 3HG1 VAL 18 1.087 5.653 -4.006 284 HG21 VAL 18 3HG2 VAL 18 2.944 3.694 -2.008 285 HG22 VAL 18 1HG2 VAL 18 4.562 4.333 -2.264 286 HG23 VAL 18 2HG2 VAL 18 3.921 3.104 -3.340 287 H CYS 19 H CYS 19 5.807 4.550 -3.468 288 HA CYS 19 HA CYS 19 7.167 7.043 -4.229 289 HB2 CYS 19 2HB CYS 19 7.439 5.279 -1.933 290 HB3 CYS 19 1HB CYS 19 8.983 5.768 -2.598 291 H GLY 20 H GLY 20 7.427 3.640 -4.965 292 HA2 GLY 20 2HA GLY 20 8.774 2.733 -6.727 293 HA3 GLY 20 1HA GLY 20 9.622 4.276 -6.831 294 H GLU 21 H GLU 21 11.736 3.357 -6.642 295 HA GLU 21 HA GLU 21 12.424 1.516 -4.529 296 HB2 GLU 21 2HB GLU 21 13.781 2.859 -6.699 297 HB3 GLU 21 1HB GLU 21 14.738 2.979 -5.221 298 HG2 GLU 21 2HG GLU 21 14.742 0.598 -4.927 299 HG3 GLU 21 1HG GLU 21 13.533 0.379 -6.192 300 H ARG 22 H ARG 22 11.597 4.778 -4.471 301 HA ARG 22 HA ARG 22 13.336 5.948 -2.601 302 HE ARG 22 HE ARG 22 11.721 9.315 -5.767 303 HB2 ARG 22 2HB ARG 22 10.587 6.390 -3.517 304 HB3 ARG 22 1HB ARG 22 10.842 6.886 -1.844 305 HG2 ARG 22 2HG ARG 22 12.622 8.362 -2.452 306 HG3 ARG 22 1HG ARG 22 12.718 7.684 -4.078 307 HD2 ARG 22 2HD ARG 22 10.135 8.452 -4.089 308 HD3 ARG 22 1HD ARG 22 10.776 9.638 -2.952 309 HH11 ARG 22 1HH2 ARG 22 10.123 11.570 -4.134 310 HH12 ARG 22 2HH2 ARG 22 11.326 12.815 -4.185 311 HH21 ARG 22 1HH1 ARG 22 13.850 10.698 -5.270 312 HH22 ARG 22 2HH1 ARG 22 13.437 12.320 -4.825 313 H GLY 23 H GLY 23 11.024 3.405 -2.159 314 HA2 GLY 23 2HA GLY 23 11.387 1.969 -0.154 315 HA3 GLY 23 1HA GLY 23 11.638 3.450 0.769 316 H PHE 24 H PHE 24 9.863 2.163 2.037 317 HA PHE 24 HA PHE 24 7.355 3.560 1.636 318 HD1 PHE 24 HD1 PHE 24 8.901 0.303 2.451 319 HD2 PHE 24 HD2 PHE 24 7.103 0.324 -1.452 320 HE1 PHE 24 HE1 PHE 24 10.417 -1.529 1.744 321 HE2 PHE 24 HE2 PHE 24 8.620 -1.507 -2.158 322 HZ PHE 24 HZ PHE 24 10.277 -2.435 -0.562 323 HB2 PHE 24 2HB PHE 24 6.175 1.142 1.567 324 HB3 PHE 24 1HB PHE 24 6.575 2.035 0.100 325 H PHE 25 H PHE 25 5.638 2.104 3.173 326 HA PHE 25 HA PHE 25 7.151 1.795 5.729 327 HD1 PHE 25 HD2 PHE 25 7.003 2.471 7.809 328 HD2 PHE 25 HD1 PHE 25 4.862 5.332 5.417 329 HE1 PHE 25 HE2 PHE 25 8.134 4.321 9.011 330 HE2 PHE 25 HE1 PHE 25 5.996 7.180 6.620 331 HZ PHE 25 HZ PHE 25 7.631 6.676 8.416 332 HB2 PHE 25 2HB PHE 25 4.568 3.055 5.001 333 HB3 PHE 25 1HB PHE 25 4.543 2.103 6.480 334 H TYR 26 H TYR 26 3.911 0.710 4.649 335 HA TYR 26 HA TYR 26 2.926 -1.419 4.760 336 HD1 TYR 26 HD1 TYR 26 2.427 -3.666 4.029 337 HD2 TYR 26 HD2 TYR 26 6.560 -4.240 5.070 338 HE1 TYR 26 HE1 TYR 26 1.966 -6.041 4.554 339 HE2 TYR 26 HE2 TYR 26 6.094 -6.616 5.591 340 HH TYR 26 HH TYR 26 3.666 -7.889 6.352 341 HB2 TYR 26 2HB TYR 26 4.571 -2.140 3.171 342 HB3 TYR 26 1HB TYR 26 5.844 -2.123 4.382 343 H THR 27 H THR 27 2.879 -0.310 7.174 344 HA THR 27 HA THR 27 4.425 -1.807 9.154 345 HB THR 27 HB THR 27 3.840 0.427 9.757 346 HG1 THR 27 HG1 THR 27 2.085 -0.118 11.433 347 HG21 THR 27 3HG2 THR 27 1.305 0.987 9.885 348 HG22 THR 27 1HG2 THR 27 1.103 -0.388 8.798 349 HG23 THR 27 2HG2 THR 27 2.080 0.994 8.301 350 H LYS 28 H LYS 28 3.511 -3.300 10.691 351 HA LYS 28 HA LYS 28 0.799 -4.195 10.628 352 HB2 LYS 28 2HB LYS 28 1.322 -5.054 8.412 353 HB3 LYS 28 1HB LYS 28 2.781 -5.834 9.019 354 HG2 LYS 28 2HG LYS 28 0.960 -7.472 8.770 355 HG3 LYS 28 1HG LYS 28 1.398 -7.290 10.465 356 HD2 LYS 28 2HD LYS 28 -0.537 -5.346 10.135 357 HD3 LYS 28 1HD LYS 28 -1.124 -6.656 9.113 358 HE2 LYS 28 2HE LYS 28 -1.305 -8.149 10.893 359 HE3 LYS 28 1HE LYS 28 -0.119 -7.283 11.870 360 HZ1 LYS 28 3HZ LYS 28 -2.008 -5.422 11.559 361 HZ2 LYS 28 1HZ LYS 28 -1.933 -6.480 12.882 362 HZ3 LYS 28 2HZ LYS 28 -2.962 -6.827 11.576 363 HA PRO 29 HA PRO 29 3.477 -5.625 14.086 364 HB2 PRO 29 2HB PRO 29 2.075 -4.305 16.045 365 HB3 PRO 29 1HB PRO 29 3.438 -3.591 15.166 366 HG2 PRO 29 2HG PRO 29 0.522 -3.045 14.871 367 HG3 PRO 29 1HG PRO 29 1.903 -1.992 14.518 368 HD2 PRO 29 2HD PRO 29 0.388 -3.433 12.612 369 HD3 PRO 29 1HD PRO 29 1.951 -2.645 12.325 370 H THR 30 H THR 30 2.201 -6.285 16.454 371 HA THR 30 HA THR 30 0.042 -8.131 15.518 372 HB THR 30 HB THR 30 1.045 -8.880 18.092 373 HG1 THR 30 HG1 THR 30 3.023 -8.221 17.879 374 HG21 THR 30 3HG2 THR 30 1.111 -10.024 15.302 375 HG22 THR 30 1HG2 THR 30 0.122 -10.529 16.672 376 HG23 THR 30 2HG2 THR 30 1.851 -10.873 16.659 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -2.047 0.002 10.893 2 H2 GLY 1 2H GLY 1 -2.615 -1.400 10.122 3 H3 GLY 1 3H GLY 1 -3.447 -0.772 11.462 4 HA2 GLY 1 1HA GLY 1 -4.671 0.008 9.652 5 HA3 GLY 1 2HA GLY 1 -3.667 1.432 10.061 6 H ILE 2 H ILE 2 -1.805 -0.258 8.169 7 HA ILE 2 HA ILE 2 -3.352 0.036 5.679 8 HB ILE 2 HB ILE 2 -1.099 0.903 5.632 9 HG12 ILE 2 2HG1 ILE 2 -0.006 -0.880 3.976 10 HG13 ILE 2 1HG1 ILE 2 -1.589 -1.634 4.078 11 HG21 ILE 2 1HG2 ILE 2 -0.082 -0.245 7.430 12 HG22 ILE 2 2HG2 ILE 2 0.833 -0.676 5.984 13 HG23 ILE 2 3HG2 ILE 2 -0.335 -1.811 6.662 14 HD11 ILE 2 3HD1 ILE 2 -0.766 0.816 2.668 15 HD12 ILE 2 1HD1 ILE 2 -2.241 1.011 3.617 16 HD13 ILE 2 2HD1 ILE 2 -2.149 -0.238 2.376 17 H THR 3 H THR 3 -1.834 -2.554 7.575 18 HA THR 3 HA THR 3 -2.509 -4.586 5.589 19 HB THR 3 HB THR 3 -1.643 -4.872 8.481 20 HG1 THR 3 HG1 THR 3 -0.290 -3.930 6.578 21 HG21 THR 3 3HG2 THR 3 -0.876 -7.154 7.276 22 HG22 THR 3 1HG2 THR 3 -2.311 -6.796 6.314 23 HG23 THR 3 2HG2 THR 3 -2.445 -6.980 8.063 24 H GLU 4 H GLU 4 -4.070 -3.086 8.282 25 HA GLU 4 HA GLU 4 -6.203 -5.171 8.254 26 HB2 GLU 4 2HB GLU 4 -5.121 -4.481 10.454 27 HB3 GLU 4 1HB GLU 4 -5.886 -2.906 10.237 28 HG2 GLU 4 2HG GLU 4 -7.358 -4.233 11.610 29 HG3 GLU 4 1HG GLU 4 -8.097 -4.112 10.013 30 H GLN 5 H GLN 5 -5.994 -3.296 6.078 31 HA GLN 5 HA GLN 5 -8.701 -2.250 6.116 32 HB2 GLN 5 2HB GLN 5 -7.124 -0.533 7.389 33 HB3 GLN 5 1HB GLN 5 -6.649 -0.090 5.748 34 HG2 GLN 5 2HG GLN 5 -8.664 0.864 5.286 35 HG3 GLN 5 1HG GLN 5 -9.561 -0.379 6.160 36 HE21 GLN 5 1HE2 GLN 5 -7.957 2.751 6.490 37 HE22 GLN 5 2HE2 GLN 5 -8.488 3.059 8.073 38 H CYS 6 H CYS 6 -5.490 -2.206 4.644 39 HA CYS 6 HA CYS 6 -6.655 -1.788 1.965 40 HB2 CYS 6 2HB CYS 6 -3.820 -2.060 2.981 41 HB3 CYS 6 1HB CYS 6 -4.214 -1.943 1.272 42 H CYS 7 H CYS 7 -6.321 -4.351 3.999 43 HA CYS 7 HA CYS 7 -5.982 -6.245 1.715 44 HB2 CYS 7 2HB CYS 7 -4.098 -6.394 3.302 45 HB3 CYS 7 1HB CYS 7 -5.227 -6.665 4.621 46 H THR 8 H THR 8 -7.548 -5.733 4.886 47 HA THR 8 HA THR 8 -9.361 -7.940 4.667 48 HB THR 8 HB THR 8 -8.966 -6.637 6.773 49 HG1 THR 8 HG1 THR 8 -10.995 -6.957 7.436 50 HG21 THR 8 3HG2 THR 8 -10.848 -4.557 6.452 51 HG22 THR 8 1HG2 THR 8 -9.782 -4.472 5.050 52 HG23 THR 8 2HG2 THR 8 -9.106 -4.397 6.677 53 H SER 9 H SER 9 -9.235 -4.807 3.214 54 HA SER 9 HA SER 9 -11.761 -5.406 1.745 55 HG SER 9 HG SER 9 -13.312 -3.618 1.547 56 HB2 SER 9 2HB SER 9 -12.158 -3.656 3.502 57 HB3 SER 9 1HB SER 9 -10.916 -2.665 2.744 58 H ILE 10 H ILE 10 -11.420 -2.857 0.234 59 HA ILE 10 HA ILE 10 -9.063 -3.731 -1.380 60 HB ILE 10 HB ILE 10 -11.439 -2.063 -2.237 61 HG12 ILE 10 2HG1 ILE 10 -10.715 -4.865 -3.116 62 HG13 ILE 10 1HG1 ILE 10 -11.781 -4.572 -1.739 63 HG21 ILE 10 1HG2 ILE 10 -9.038 -3.184 -3.712 64 HG22 ILE 10 2HG2 ILE 10 -9.459 -1.484 -3.508 65 HG23 ILE 10 3HG2 ILE 10 -10.462 -2.528 -4.515 66 HD11 ILE 10 3HD1 ILE 10 -12.927 -2.913 -3.501 67 HD12 ILE 10 1HD1 ILE 10 -13.374 -4.615 -3.387 68 HD13 ILE 10 2HD1 ILE 10 -12.246 -4.081 -4.634 69 H CYS 11 H CYS 11 -7.329 -2.378 -1.419 70 HA CYS 11 HA CYS 11 -7.607 0.277 -0.142 71 HB2 CYS 11 2HB CYS 11 -5.724 -1.486 0.293 72 HB3 CYS 11 1HB CYS 11 -5.026 -0.854 -1.196 73 H SER 12 H SER 12 -6.968 2.218 -1.219 74 HA SER 12 HA SER 12 -7.086 2.022 -4.196 75 HG SER 12 HG SER 12 -7.638 5.215 -1.930 76 HB2 SER 12 2HB SER 12 -7.537 4.572 -3.900 77 HB3 SER 12 1HB SER 12 -8.823 3.437 -3.501 78 H LEU 13 H LEU 13 -5.284 2.463 -5.334 79 HA LEU 13 HA LEU 13 -2.733 2.825 -4.370 80 HG LEU 13 HG LEU 13 -5.175 4.239 -6.393 81 HB2 LEU 13 2HB LEU 13 -2.264 4.122 -6.507 82 HB3 LEU 13 1HB LEU 13 -2.995 2.536 -6.697 83 HD11 LEU 13 1HD1 LEU 13 -4.754 5.925 -8.210 84 HD12 LEU 13 2HD1 LEU 13 -3.050 5.473 -8.171 85 HD13 LEU 13 3HD1 LEU 13 -3.799 6.209 -6.754 86 HD21 LEU 13 3HD2 LEU 13 -5.211 3.851 -8.996 87 HD22 LEU 13 1HD2 LEU 13 -5.388 2.486 -7.894 88 HD23 LEU 13 2HD2 LEU 13 -3.829 2.811 -8.652 89 H TYR 14 H TYR 14 -5.184 5.259 -4.887 90 HA TYR 14 HA TYR 14 -3.843 7.656 -4.558 91 HD1 TYR 14 HD1 TYR 14 -5.148 9.347 -5.715 92 HD2 TYR 14 HD2 TYR 14 -6.579 9.026 -1.676 93 HE1 TYR 14 HE1 TYR 14 -5.166 11.821 -5.525 94 HE2 TYR 14 HE2 TYR 14 -6.596 11.500 -1.486 95 HH TYR 14 HH TYR 14 -6.751 13.464 -3.055 96 HB2 TYR 14 2HB TYR 14 -6.381 7.229 -4.722 97 HB3 TYR 14 1HB TYR 14 -6.341 7.090 -2.966 98 H GLN 15 H GLN 15 -5.359 6.188 -1.706 99 HA GLN 15 HA GLN 15 -3.642 7.492 0.163 100 HB2 GLN 15 2HB GLN 15 -5.563 5.230 0.229 101 HB3 GLN 15 1HB GLN 15 -4.371 5.280 1.527 102 HG2 GLN 15 2HG GLN 15 -6.067 7.668 0.760 103 HG3 GLN 15 1HG GLN 15 -6.539 6.519 2.012 104 HE21 GLN 15 1HE2 GLN 15 -4.163 6.023 3.357 105 HE22 GLN 15 2HE2 GLN 15 -3.539 7.461 4.008 106 H LEU 16 H LEU 16 -3.607 4.307 -1.293 107 HA LEU 16 HA LEU 16 -1.538 2.950 -0.131 108 HG LEU 16 HG LEU 16 -1.817 0.650 -2.811 109 HB2 LEU 16 2HB LEU 16 -2.903 2.793 -2.524 110 HB3 LEU 16 1HB LEU 16 -1.247 3.071 -3.059 111 HD11 LEU 16 1HD1 LEU 16 0.399 0.496 -2.504 112 HD12 LEU 16 2HD1 LEU 16 0.142 0.654 -0.767 113 HD13 LEU 16 3HD1 LEU 16 0.427 2.089 -1.752 114 HD21 LEU 16 3HD2 LEU 16 -2.987 0.018 -1.003 115 HD22 LEU 16 1HD2 LEU 16 -2.822 1.627 -0.301 116 HD23 LEU 16 2HD2 LEU 16 -1.588 0.403 0.000 117 H GLU 17 H GLU 17 -1.210 5.664 -2.384 118 HA GLU 17 HA GLU 17 1.687 5.524 -2.448 119 HB2 GLU 17 2HB GLU 17 0.657 6.511 -4.343 120 HB3 GLU 17 1HB GLU 17 -0.320 7.588 -3.348 121 HG2 GLU 17 2HG GLU 17 1.658 8.836 -2.669 122 HG3 GLU 17 1HG GLU 17 2.707 7.692 -3.509 123 H ASN 18 H ASN 18 -0.645 7.119 -0.410 124 HA ASN 18 HA ASN 18 1.140 9.092 0.697 125 HB2 ASN 18 2HB ASN 18 -1.336 9.227 0.881 126 HB3 ASN 18 1HB ASN 18 -1.309 7.837 1.968 127 HD21 ASN 18 1HD2 ASN 18 0.135 11.129 1.652 128 HD22 ASN 18 2HD2 ASN 18 0.181 11.427 3.323 129 H TYR 19 H TYR 19 1.193 5.730 0.976 130 HA TYR 19 HA TYR 19 2.275 5.831 3.739 131 HD1 TYR 19 HD2 TYR 19 0.586 4.632 5.301 132 HD2 TYR 19 HD1 TYR 19 -0.457 3.623 1.256 133 HE1 TYR 19 HE2 TYR 19 -1.815 4.925 5.849 134 HE2 TYR 19 HE1 TYR 19 -2.860 3.919 1.803 135 HH TYR 19 HH TYR 19 -3.887 5.111 4.980 136 HB2 TYR 19 2HB TYR 19 1.784 3.404 1.983 137 HB3 TYR 19 1HB TYR 19 2.170 3.401 3.702 138 H CYS 20 H CYS 20 3.728 7.011 1.463 139 HA CYS 20 HA CYS 20 6.060 5.161 1.282 140 HB2 CYS 20 2HB CYS 20 4.959 6.431 -0.758 141 HB3 CYS 20 1HB CYS 20 5.959 7.759 -0.214 142 H ASN 21 H ASN 21 8.132 6.862 1.000 143 HA ASN 21 HA ASN 21 8.309 8.097 3.686 144 HB2 ASN 21 2HB ASN 21 10.126 6.615 3.209 145 HB3 ASN 21 1HB ASN 21 10.372 7.322 1.612 146 HD21 ASN 21 1HD2 ASN 21 11.748 9.142 1.461 147 HD22 ASN 21 2HD2 ASN 21 12.450 9.908 2.803 148 HA PHE 1 HA PHE 1 -9.895 5.538 -11.352 149 HD1 PHE 1 HD1 PHE 1 -7.011 7.079 -9.774 150 HD2 PHE 1 HD2 PHE 1 -7.762 5.656 -13.758 151 HE1 PHE 1 HE1 PHE 1 -6.310 9.274 -10.689 152 HE2 PHE 1 HE2 PHE 1 -7.060 7.853 -14.675 153 HZ PHE 1 HZ PHE 1 -6.333 9.662 -13.140 154 H1 PHE 1 1H PHE 1 -9.258 6.740 -9.501 155 H2 PHE 1 2H PHE 1 -8.480 5.420 -8.768 156 H3 PHE 1 3H PHE 1 -10.177 5.489 -8.816 157 HB2 PHE 1 2HB PHE 1 -7.204 4.613 -10.338 158 HB3 PHE 1 1HB PHE 1 -7.807 4.146 -11.929 159 H VAL 2 H VAL 2 -8.080 2.850 -9.995 160 HA VAL 2 HA VAL 2 -10.600 1.239 -10.006 161 HB VAL 2 HB VAL 2 -7.862 0.219 -10.808 162 HG11 VAL 2 1HG1 VAL 2 -9.458 -1.469 -9.979 163 HG12 VAL 2 2HG1 VAL 2 -9.190 -1.660 -11.712 164 HG13 VAL 2 3HG1 VAL 2 -10.667 -0.893 -11.128 165 HG21 VAL 2 3HG2 VAL 2 -9.159 0.194 -13.122 166 HG22 VAL 2 1HG2 VAL 2 -8.313 1.647 -12.589 167 HG23 VAL 2 2HG2 VAL 2 -10.061 1.518 -12.383 168 H ASN 3 H ASN 3 -10.916 0.008 -8.197 169 HA ASN 3 HA ASN 3 -9.087 0.356 -5.951 170 HB2 ASN 3 2HB ASN 3 -11.433 -1.536 -6.017 171 HB3 ASN 3 1HB ASN 3 -10.778 -0.641 -4.647 172 HD21 ASN 3 1HD2 ASN 3 -13.448 -0.269 -4.963 173 HD22 ASN 3 2HD2 ASN 3 -13.791 1.236 -5.670 174 H GLN 4 H GLN 4 -7.666 -1.174 -5.124 175 HA GLN 4 HA GLN 4 -7.593 -3.838 -6.473 176 HB2 GLN 4 2HB GLN 4 -5.869 -2.787 -7.638 177 HB3 GLN 4 1HB GLN 4 -5.454 -1.740 -6.287 178 HG2 GLN 4 2HG GLN 4 -3.916 -3.205 -5.509 179 HG3 GLN 4 1HG GLN 4 -5.031 -4.565 -5.652 180 HE21 GLN 4 1HE2 GLN 4 -3.023 -5.727 -6.500 181 HE22 GLN 4 2HE2 GLN 4 -2.640 -5.558 -8.145 182 H HIS 5 H HIS 5 -7.213 -5.527 -5.075 183 HA HIS 5 HA HIS 5 -7.292 -5.083 -2.233 184 HD2 HIS 5 HD2 HIS 5 -9.142 -6.433 -0.919 185 HE1 HIS 5 HE1 HIS 5 -11.518 -7.940 -4.071 186 HE2 HIS 5 HE2 HIS 5 -11.558 -6.995 -1.701 187 HB2 HIS 5 2HB HIS 5 -6.816 -7.491 -3.981 188 HB3 HIS 5 1HB HIS 5 -6.650 -7.606 -2.229 189 H LEU 6 H LEU 6 -5.619 -5.296 -0.686 190 HA LEU 6 HA LEU 6 -2.846 -5.600 -1.716 191 HG LEU 6 HG LEU 6 -3.021 -2.577 -2.454 192 HB2 LEU 6 2HB LEU 6 -4.085 -3.219 -0.509 193 HB3 LEU 6 1HB LEU 6 -2.603 -3.711 0.279 194 HD11 LEU 6 1HD1 LEU 6 -0.423 -2.421 -1.069 195 HD12 LEU 6 2HD1 LEU 6 -1.780 -1.792 -0.135 196 HD13 LEU 6 3HD1 LEU 6 -1.429 -1.134 -1.733 197 HD21 LEU 6 3HD2 LEU 6 -1.150 -4.856 -1.826 198 HD22 LEU 6 1HD2 LEU 6 -0.609 -3.585 -2.920 199 HD23 LEU 6 2HD2 LEU 6 -2.045 -4.532 -3.311 200 H CYS 7 H CYS 7 -1.541 -6.795 -0.406 201 HA CYS 7 HA CYS 7 -2.135 -7.027 2.460 202 HB2 CYS 7 2HB CYS 7 -2.204 -9.518 0.716 203 HB3 CYS 7 1HB CYS 7 -2.420 -9.456 2.463 204 H GLY 8 H GLY 8 -0.286 -7.446 3.574 205 HA2 GLY 8 2HA GLY 8 2.116 -7.327 3.714 206 HA3 GLY 8 1HA GLY 8 1.810 -9.031 3.410 207 H SER 9 H SER 9 2.941 -9.879 1.765 208 HA SER 9 HA SER 9 4.823 -8.622 0.197 209 HG SER 9 HG SER 9 2.987 -12.127 -0.401 210 HB2 SER 9 2HB SER 9 3.896 -10.487 -1.584 211 HB3 SER 9 1HB SER 9 4.982 -10.845 -0.244 212 H ASP 10 H ASP 10 1.404 -9.124 -0.765 213 HA ASP 10 HA ASP 10 1.688 -7.641 -3.224 214 HB2 ASP 10 2HB ASP 10 -0.655 -8.550 -1.557 215 HB3 ASP 10 1HB ASP 10 -0.898 -7.471 -2.927 216 H LEU 11 H LEU 11 1.142 -6.789 0.096 217 HA LEU 11 HA LEU 11 0.021 -4.189 -0.209 218 HG LEU 11 HG LEU 11 1.576 -2.918 2.597 219 HB2 LEU 11 2HB LEU 11 0.335 -5.517 1.947 220 HB3 LEU 11 1HB LEU 11 2.026 -5.046 1.904 221 HD11 LEU 11 1HD1 LEU 11 0.472 -2.166 0.597 222 HD12 LEU 11 2HD1 LEU 11 -0.544 -1.703 1.962 223 HD13 LEU 11 3HD1 LEU 11 -0.971 -3.104 0.979 224 HD21 LEU 11 3HD2 LEU 11 0.146 -4.693 3.965 225 HD22 LEU 11 1HD2 LEU 11 -1.201 -3.768 3.302 226 HD23 LEU 11 2HD2 LEU 11 0.012 -2.966 4.299 227 H VAL 12 H VAL 12 3.408 -5.283 -0.119 228 HA VAL 12 HA VAL 12 4.459 -2.611 -0.510 229 HB VAL 12 HB VAL 12 6.579 -3.853 -1.080 230 HG11 VAL 12 1HG1 VAL 12 5.383 -3.389 1.343 231 HG12 VAL 12 2HG1 VAL 12 7.024 -4.001 1.144 232 HG13 VAL 12 3HG1 VAL 12 5.694 -5.123 1.429 233 HG21 VAL 12 3HG2 VAL 12 5.216 -5.864 -1.933 234 HG22 VAL 12 1HG2 VAL 12 5.042 -6.308 -0.235 235 HG23 VAL 12 2HG2 VAL 12 6.645 -6.220 -0.963 236 H GLU 13 H GLU 13 3.353 -5.196 -2.601 237 HA GLU 13 HA GLU 13 4.601 -4.450 -5.029 238 HB2 GLU 13 2HB GLU 13 3.053 -6.450 -4.604 239 HB3 GLU 13 1HB GLU 13 1.709 -5.327 -4.809 240 HG2 GLU 13 2HG GLU 13 2.266 -4.884 -7.061 241 HG3 GLU 13 1HG GLU 13 3.894 -5.538 -6.877 242 H ALA 14 H ALA 14 1.528 -3.316 -3.622 243 HA ALA 14 HA ALA 14 1.027 -1.331 -5.644 244 HB1 ALA 14 3HB ALA 14 0.104 -1.445 -2.761 245 HB2 ALA 14 1HB ALA 14 -0.733 -2.180 -4.127 246 HB3 ALA 14 2HB ALA 14 -0.595 -0.426 -4.018 247 H LEU 15 H LEU 15 2.601 -1.274 -2.484 248 HA LEU 15 HA LEU 15 3.164 1.562 -2.473 249 HG LEU 15 HG LEU 15 2.154 -0.413 -0.277 250 HB2 LEU 15 2HB LEU 15 4.462 -0.774 -1.021 251 HB3 LEU 15 1HB LEU 15 4.863 0.907 -0.711 252 HD11 LEU 15 1HD1 LEU 15 2.649 -0.340 1.978 253 HD12 LEU 15 2HD1 LEU 15 3.771 1.009 1.799 254 HD13 LEU 15 3HD1 LEU 15 4.262 -0.617 1.321 255 HD21 LEU 15 3HD2 LEU 15 1.355 1.728 0.454 256 HD22 LEU 15 1HD2 LEU 15 2.136 2.034 -1.094 257 HD23 LEU 15 2HD2 LEU 15 2.972 2.428 0.404 258 H TYR 16 H TYR 16 4.699 -1.218 -3.915 259 HA TYR 16 HA TYR 16 7.318 -0.083 -4.243 260 HD1 TYR 16 HD2 TYR 16 9.364 -1.228 -5.735 261 HD2 TYR 16 HD1 TYR 16 6.809 -3.690 -3.311 262 HE1 TYR 16 HE2 TYR 16 11.354 -2.137 -4.562 263 HE2 TYR 16 HE1 TYR 16 8.796 -4.598 -2.138 264 HH TYR 16 HH TYR 16 11.003 -4.381 -1.828 265 HB2 TYR 16 2HB TYR 16 5.886 -2.469 -5.088 266 HB3 TYR 16 1HB TYR 16 6.920 -1.850 -6.374 267 H LEU 17 H LEU 17 4.646 -0.439 -6.615 268 HA LEU 17 HA LEU 17 5.948 1.096 -8.640 269 HG LEU 17 HG LEU 17 2.989 0.306 -6.887 270 HB2 LEU 17 2HB LEU 17 3.627 1.341 -9.602 271 HB3 LEU 17 1HB LEU 17 4.111 -0.320 -9.264 272 HD11 LEU 17 1HD1 LEU 17 1.369 1.912 -6.981 273 HD12 LEU 17 2HD1 LEU 17 0.996 1.582 -8.673 274 HD13 LEU 17 3HD1 LEU 17 2.400 2.564 -8.254 275 HD21 LEU 17 3HD2 LEU 17 2.388 -1.645 -8.186 276 HD22 LEU 17 1HD2 LEU 17 1.625 -0.645 -9.423 277 HD23 LEU 17 2HD2 LEU 17 0.902 -0.771 -7.819 278 H VAL 18 H VAL 18 4.084 2.098 -5.831 279 HA VAL 18 HA VAL 18 3.780 4.836 -6.863 280 HB VAL 18 HB VAL 18 2.794 5.333 -4.676 281 HG11 VAL 18 1HG1 VAL 18 0.830 4.265 -5.134 282 HG12 VAL 18 2HG1 VAL 18 1.598 2.679 -5.220 283 HG13 VAL 18 3HG1 VAL 18 1.691 3.780 -6.595 284 HG21 VAL 18 3HG2 VAL 18 4.118 4.074 -3.166 285 HG22 VAL 18 1HG2 VAL 18 3.810 2.573 -4.034 286 HG23 VAL 18 2HG2 VAL 18 2.521 3.326 -3.100 287 H CYS 19 H CYS 19 5.588 3.220 -4.308 288 HA CYS 19 HA CYS 19 6.985 5.564 -3.421 289 HB2 CYS 19 2HB CYS 19 7.343 2.603 -3.078 290 HB3 CYS 19 1HB CYS 19 8.643 3.686 -2.592 291 H GLY 20 H GLY 20 8.192 2.755 -5.273 292 HA2 GLY 20 2HA GLY 20 9.752 2.720 -7.064 293 HA3 GLY 20 1HA GLY 20 9.777 4.487 -7.030 294 H GLU 21 H GLU 21 12.105 4.575 -7.016 295 HA GLU 21 HA GLU 21 13.623 3.154 -4.989 296 HB2 GLU 21 2HB GLU 21 14.434 4.129 -7.278 297 HB3 GLU 21 1HB GLU 21 14.632 5.628 -6.370 298 HG2 GLU 21 2HG GLU 21 16.735 4.444 -6.275 299 HG3 GLU 21 1HG GLU 21 15.987 4.326 -4.682 300 H ARG 22 H ARG 22 11.465 5.614 -4.653 301 HA ARG 22 HA ARG 22 12.919 7.403 -2.914 302 HE ARG 22 HE ARG 22 10.574 11.672 -1.878 303 HB2 ARG 22 2HB ARG 22 10.827 8.061 -4.075 304 HB3 ARG 22 1HB ARG 22 9.934 6.903 -3.088 305 HG2 ARG 22 2HG ARG 22 10.247 8.132 -1.124 306 HG3 ARG 22 1HG ARG 22 11.662 8.972 -1.760 307 HD2 ARG 22 2HD ARG 22 9.356 9.512 -3.418 308 HD3 ARG 22 1HD ARG 22 9.004 9.910 -1.736 309 HH11 ARG 22 1HH2 ARG 22 9.918 10.855 -4.949 310 HH12 ARG 22 2HH2 ARG 22 11.479 11.198 -5.619 311 HH21 ARG 22 1HH1 ARG 22 13.028 11.511 -2.533 312 HH22 ARG 22 2HH1 ARG 22 13.237 11.571 -4.252 313 H GLY 23 H GLY 23 11.572 4.268 -2.494 314 HA2 GLY 23 2HA GLY 23 12.041 2.940 -0.529 315 HA3 GLY 23 1HA GLY 23 12.237 4.427 0.395 316 H PHE 24 H PHE 24 10.352 1.871 0.399 317 HA PHE 24 HA PHE 24 7.831 3.420 0.835 318 HD1 PHE 24 HD1 PHE 24 7.385 -0.652 1.808 319 HD2 PHE 24 HD2 PHE 24 9.656 0.639 -1.605 320 HE1 PHE 24 HE1 PHE 24 8.665 -2.775 1.855 321 HE2 PHE 24 HE2 PHE 24 10.937 -1.483 -1.558 322 HZ PHE 24 HZ PHE 24 10.444 -3.191 0.174 323 HB2 PHE 24 2HB PHE 24 6.658 1.251 0.439 324 HB3 PHE 24 1HB PHE 24 7.598 1.771 -0.959 325 H PHE 25 H PHE 25 6.404 2.472 2.560 326 HA PHE 25 HA PHE 25 7.925 1.053 4.695 327 HD1 PHE 25 HD2 PHE 25 6.583 0.886 7.035 328 HD2 PHE 25 HD1 PHE 25 9.126 4.321 6.576 329 HE1 PHE 25 HE2 PHE 25 7.666 0.376 9.207 330 HE2 PHE 25 HE1 PHE 25 10.210 3.809 8.746 331 HZ PHE 25 HZ PHE 25 9.479 1.838 10.064 332 HB2 PHE 25 2HB PHE 25 7.680 3.730 4.840 333 HB3 PHE 25 1HB PHE 25 6.114 3.286 5.515 334 H TYR 26 H TYR 26 6.615 -0.820 4.337 335 HA TYR 26 HA TYR 26 3.686 -0.483 4.477 336 HD1 TYR 26 HD1 TYR 26 2.812 -4.016 5.125 337 HD2 TYR 26 HD2 TYR 26 6.965 -3.595 4.086 338 HE1 TYR 26 HE1 TYR 26 3.321 -6.124 6.315 339 HE2 TYR 26 HE2 TYR 26 7.469 -5.703 5.283 340 HH TYR 26 HH TYR 26 5.901 -7.018 7.453 341 HB2 TYR 26 2HB TYR 26 3.557 -2.456 3.348 342 HB3 TYR 26 1HB TYR 26 5.263 -2.199 3.030 343 H THR 27 H THR 27 3.279 0.140 6.644 344 HA THR 27 HA THR 27 4.485 -1.365 8.841 345 HB THR 27 HB THR 27 3.370 0.153 10.260 346 HG1 THR 27 HG1 THR 27 1.625 0.934 8.198 347 HG21 THR 27 3HG2 THR 27 4.696 1.101 7.984 348 HG22 THR 27 1HG2 THR 27 4.389 1.998 9.470 349 HG23 THR 27 2HG2 THR 27 3.259 2.115 8.121 350 H LYS 28 H LYS 28 2.644 -2.010 10.622 351 HA LYS 28 HA LYS 28 0.209 -3.139 9.654 352 HB2 LYS 28 2HB LYS 28 1.074 -5.609 10.047 353 HB3 LYS 28 1HB LYS 28 1.249 -4.843 8.471 354 HG2 LYS 28 2HG LYS 28 3.413 -5.575 8.745 355 HG3 LYS 28 1HG LYS 28 3.563 -4.026 9.567 356 HD2 LYS 28 2HD LYS 28 3.464 -5.002 11.701 357 HD3 LYS 28 1HD LYS 28 2.709 -6.476 11.092 358 HE2 LYS 28 2HE LYS 28 4.707 -7.428 10.626 359 HE3 LYS 28 1HE LYS 28 5.310 -5.960 9.857 360 HZ1 LYS 28 3HZ LYS 28 6.191 -6.912 12.201 361 HZ2 LYS 28 1HZ LYS 28 5.025 -5.799 12.728 362 HZ3 LYS 28 2HZ LYS 28 6.299 -5.284 11.730 363 HA PRO 29 HA PRO 29 -0.211 -3.210 14.026 364 HB2 PRO 29 2HB PRO 29 -2.681 -4.414 14.123 365 HB3 PRO 29 1HB PRO 29 -2.432 -2.714 13.689 366 HG2 PRO 29 2HG PRO 29 -3.083 -5.027 11.920 367 HG3 PRO 29 1HG PRO 29 -3.438 -3.306 11.696 368 HD2 PRO 29 2HD PRO 29 -1.354 -4.737 10.434 369 HD3 PRO 29 1HD PRO 29 -1.513 -2.971 10.500 370 H THR 30 H THR 30 -1.544 -5.180 15.501 371 HA THR 30 HA THR 30 -0.984 -7.200 16.580 372 HB THR 30 HB THR 30 -0.889 -9.147 14.898 373 HG1 THR 30 HG1 THR 30 -1.741 -7.143 13.105 374 HG21 THR 30 3HG2 THR 30 -3.377 -8.207 14.106 375 HG22 THR 30 1HG2 THR 30 -3.065 -7.329 15.604 376 HG23 THR 30 2HG2 THR 30 -3.036 -9.092 15.592 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -4.396 -1.729 10.435 2 H2 GLY 1 2H GLY 1 -5.808 -0.799 10.272 3 H3 GLY 1 3H GLY 1 -4.674 -0.420 11.479 4 HA2 GLY 1 1HA GLY 1 -4.657 0.872 9.223 5 HA3 GLY 1 2HA GLY 1 -3.121 0.554 10.084 6 H ILE 2 H ILE 2 -2.058 -0.533 8.172 7 HA ILE 2 HA ILE 2 -3.516 -0.412 5.599 8 HB ILE 2 HB ILE 2 -1.173 0.551 5.977 9 HG12 ILE 2 2HG1 ILE 2 -1.664 -1.451 3.751 10 HG13 ILE 2 1HG1 ILE 2 -2.107 0.255 3.734 11 HG21 ILE 2 1HG2 ILE 2 -0.435 -1.583 7.185 12 HG22 ILE 2 2HG2 ILE 2 0.688 -0.892 6.017 13 HG23 ILE 2 3HG2 ILE 2 -0.285 -2.294 5.578 14 HD11 ILE 2 3HD1 ILE 2 0.094 0.965 3.466 15 HD12 ILE 2 1HD1 ILE 2 0.128 -0.553 2.569 16 HD13 ILE 2 2HD1 ILE 2 0.762 -0.487 4.211 17 H THR 3 H THR 3 -1.787 -2.766 7.631 18 HA THR 3 HA THR 3 -2.282 -4.951 5.760 19 HB THR 3 HB THR 3 -1.299 -4.878 8.625 20 HG1 THR 3 HG1 THR 3 -0.031 -5.483 6.161 21 HG21 THR 3 3HG2 THR 3 -2.299 -7.095 7.021 22 HG22 THR 3 1HG2 THR 3 -1.850 -7.060 8.727 23 HG23 THR 3 2HG2 THR 3 -0.617 -7.334 7.496 24 H GLU 4 H GLU 4 -4.073 -3.356 8.197 25 HA GLU 4 HA GLU 4 -5.925 -5.681 8.461 26 HB2 GLU 4 2HB GLU 4 -4.933 -3.832 10.342 27 HB3 GLU 4 1HB GLU 4 -6.626 -3.406 10.104 28 HG2 GLU 4 2HG GLU 4 -7.351 -5.626 10.660 29 HG3 GLU 4 1HG GLU 4 -5.697 -6.240 10.622 30 H GLN 5 H GLN 5 -5.764 -3.937 6.072 31 HA GLN 5 HA GLN 5 -8.611 -3.403 5.811 32 HB2 GLN 5 2HB GLN 5 -7.463 -1.334 7.025 33 HB3 GLN 5 1HB GLN 5 -6.939 -0.948 5.384 34 HG2 GLN 5 2HG GLN 5 -9.815 -1.510 6.154 35 HG3 GLN 5 1HG GLN 5 -9.129 0.109 6.008 36 HE21 GLN 5 1HE2 GLN 5 -8.251 0.707 3.806 37 HE22 GLN 5 2HE2 GLN 5 -8.926 -0.022 2.430 38 H CYS 6 H CYS 6 -5.342 -2.832 4.541 39 HA CYS 6 HA CYS 6 -6.295 -2.757 1.784 40 HB2 CYS 6 2HB CYS 6 -3.536 -2.879 3.004 41 HB3 CYS 6 1HB CYS 6 -3.810 -2.882 1.270 42 H CYS 7 H CYS 7 -5.388 -5.171 4.029 43 HA CYS 7 HA CYS 7 -5.263 -7.136 1.795 44 HB2 CYS 7 2HB CYS 7 -3.247 -6.999 3.270 45 HB3 CYS 7 1HB CYS 7 -4.261 -7.474 4.622 46 H THR 8 H THR 8 -7.613 -5.950 2.864 47 HA THR 8 HA THR 8 -9.033 -8.418 3.720 48 HB THR 8 HB THR 8 -9.166 -5.673 4.997 49 HG1 THR 8 HG1 THR 8 -8.976 -8.321 5.991 50 HG21 THR 8 3HG2 THR 8 -11.453 -6.063 4.676 51 HG22 THR 8 1HG2 THR 8 -11.167 -6.802 6.252 52 HG23 THR 8 2HG2 THR 8 -11.272 -7.812 4.809 53 H SER 9 H SER 9 -9.215 -5.098 2.481 54 HA SER 9 HA SER 9 -11.328 -5.991 0.576 55 HG SER 9 HG SER 9 -12.129 -4.293 3.557 56 HB2 SER 9 2HB SER 9 -11.314 -3.282 1.933 57 HB3 SER 9 1HB SER 9 -12.573 -3.954 0.901 58 H ILE 10 H ILE 10 -11.002 -2.772 0.058 59 HA ILE 10 HA ILE 10 -8.503 -3.073 -1.543 60 HB ILE 10 HB ILE 10 -11.182 -2.001 -2.450 61 HG12 ILE 10 2HG1 ILE 10 -9.549 -3.872 -4.069 62 HG13 ILE 10 1HG1 ILE 10 -10.181 -4.529 -2.559 63 HG21 ILE 10 1HG2 ILE 10 -9.938 -0.461 -3.580 64 HG22 ILE 10 2HG2 ILE 10 -9.529 -1.820 -4.626 65 HG23 ILE 10 3HG2 ILE 10 -8.436 -1.347 -3.325 66 HD11 ILE 10 3HD1 ILE 10 -12.379 -3.228 -3.482 67 HD12 ILE 10 1HD1 ILE 10 -12.041 -4.927 -3.817 68 HD13 ILE 10 2HD1 ILE 10 -11.622 -3.693 -5.005 69 H CYS 11 H CYS 11 -7.197 -1.219 -1.567 70 HA CYS 11 HA CYS 11 -8.168 1.015 0.161 71 HB2 CYS 11 2HB CYS 11 -5.377 0.062 -0.523 72 HB3 CYS 11 1HB CYS 11 -5.695 1.573 0.324 73 H SER 12 H SER 12 -6.764 3.135 -0.510 74 HA SER 12 HA SER 12 -7.287 3.528 -3.433 75 HG SER 12 HG SER 12 -7.026 5.252 -0.301 76 HB2 SER 12 2HB SER 12 -7.253 6.048 -2.423 77 HB3 SER 12 1HB SER 12 -8.717 5.082 -2.580 78 H LEU 13 H LEU 13 -5.351 3.308 -4.381 79 HA LEU 13 HA LEU 13 -2.761 3.601 -3.589 80 HG LEU 13 HG LEU 13 -4.477 2.528 -5.781 81 HB2 LEU 13 2HB LEU 13 -3.148 5.226 -5.989 82 HB3 LEU 13 1HB LEU 13 -2.216 3.756 -5.770 83 HD11 LEU 13 1HD1 LEU 13 -6.298 3.880 -5.859 84 HD12 LEU 13 2HD1 LEU 13 -5.830 4.277 -7.512 85 HD13 LEU 13 3HD1 LEU 13 -5.299 5.299 -6.176 86 HD21 LEU 13 3HD2 LEU 13 -2.713 3.436 -7.806 87 HD22 LEU 13 1HD2 LEU 13 -4.348 3.526 -8.456 88 HD23 LEU 13 2HD2 LEU 13 -3.734 1.997 -7.823 89 H TYR 14 H TYR 14 -4.834 6.261 -4.594 90 HA TYR 14 HA TYR 14 -3.152 8.440 -4.296 91 HD1 TYR 14 HD1 TYR 14 -3.475 10.740 -4.305 92 HD2 TYR 14 HD2 TYR 14 -7.123 9.675 -2.301 93 HE1 TYR 14 HE1 TYR 14 -3.549 12.983 -3.246 94 HE2 TYR 14 HE2 TYR 14 -7.200 11.919 -1.244 95 HH TYR 14 HH TYR 14 -6.161 14.327 -1.971 96 HB2 TYR 14 2HB TYR 14 -5.348 8.818 -5.091 97 HB3 TYR 14 1HB TYR 14 -6.071 8.096 -3.658 98 H GLN 15 H GLN 15 -5.285 7.330 -1.656 99 HA GLN 15 HA GLN 15 -3.807 8.772 0.369 100 HB2 GLN 15 2HB GLN 15 -6.034 6.835 0.298 101 HB3 GLN 15 1HB GLN 15 -5.029 6.725 1.741 102 HG2 GLN 15 2HG GLN 15 -6.111 9.363 0.730 103 HG3 GLN 15 1HG GLN 15 -7.008 8.351 1.862 104 HE21 GLN 15 1HE2 GLN 15 -4.690 10.830 1.692 105 HE22 GLN 15 2HE2 GLN 15 -4.074 10.696 3.268 106 H LEU 16 H LEU 16 -3.884 5.452 -0.743 107 HA LEU 16 HA LEU 16 -2.165 4.067 0.902 108 HG LEU 16 HG LEU 16 -0.213 2.941 -0.876 109 HB2 LEU 16 2HB LEU 16 -3.207 3.156 -1.144 110 HB3 LEU 16 1HB LEU 16 -2.128 4.146 -2.118 111 HD11 LEU 16 1HD1 LEU 16 -2.592 1.661 0.203 112 HD12 LEU 16 2HD1 LEU 16 -0.917 1.527 0.739 113 HD13 LEU 16 3HD1 LEU 16 -1.515 0.491 -0.553 114 HD21 LEU 16 3HD2 LEU 16 -1.173 2.596 -3.288 115 HD22 LEU 16 1HD2 LEU 16 -1.836 1.105 -2.618 116 HD23 LEU 16 2HD2 LEU 16 -0.093 1.376 -2.613 117 H GLU 17 H GLU 17 -1.323 6.561 -1.435 118 HA GLU 17 HA GLU 17 1.517 6.147 -1.297 119 HB2 GLU 17 2HB GLU 17 0.812 7.284 -3.217 120 HB3 GLU 17 1HB GLU 17 -0.261 8.342 -2.309 121 HG2 GLU 17 2HG GLU 17 1.675 9.502 -1.336 122 HG3 GLU 17 1HG GLU 17 2.772 8.402 -2.172 123 H ASN 18 H ASN 18 -0.569 7.296 1.047 124 HA ASN 18 HA ASN 18 1.245 9.327 2.111 125 HB2 ASN 18 2HB ASN 18 -1.353 9.131 2.444 126 HB3 ASN 18 1HB ASN 18 -0.919 8.014 3.740 127 HD21 ASN 18 1HD2 ASN 18 -1.352 9.343 5.568 128 HD22 ASN 18 2HD2 ASN 18 -0.573 10.824 5.852 129 H TYR 19 H TYR 19 1.305 5.999 2.002 130 HA TYR 19 HA TYR 19 2.768 5.800 4.590 131 HD1 TYR 19 HD2 TYR 19 1.119 5.561 5.836 132 HD2 TYR 19 HD1 TYR 19 -0.364 2.897 2.813 133 HE1 TYR 19 HE2 TYR 19 -1.182 5.864 6.694 134 HE2 TYR 19 HE1 TYR 19 -2.665 3.194 3.666 135 HH TYR 19 HH TYR 19 -3.628 5.626 5.548 136 HB2 TYR 19 2HB TYR 19 1.869 3.558 2.760 137 HB3 TYR 19 1HB TYR 19 2.479 3.403 4.405 138 H CYS 20 H CYS 20 3.469 6.619 1.523 139 HA CYS 20 HA CYS 20 5.681 4.748 1.090 140 HB2 CYS 20 2HB CYS 20 5.869 5.653 -0.991 141 HB3 CYS 20 1HB CYS 20 4.317 6.299 -0.667 142 H ASN 21 H ASN 21 7.851 6.017 0.527 143 HA ASN 21 HA ASN 21 8.569 7.406 3.069 144 HB2 ASN 21 2HB ASN 21 9.900 5.404 2.492 145 HB3 ASN 21 1HB ASN 21 10.369 6.160 0.969 146 HD21 ASN 21 1HD2 ASN 21 12.027 7.767 1.023 147 HD22 ASN 21 2HD2 ASN 21 12.842 8.209 2.445 148 HA PHE 1 HA PHE 1 -11.519 4.663 -11.140 149 HD1 PHE 1 HD1 PHE 1 -8.136 2.621 -12.626 150 HD2 PHE 1 HD2 PHE 1 -8.283 6.884 -12.099 151 HE1 PHE 1 HE1 PHE 1 -5.666 2.679 -12.400 152 HE2 PHE 1 HE2 PHE 1 -5.812 6.941 -11.873 153 HZ PHE 1 HZ PHE 1 -4.504 4.838 -12.023 154 H1 PHE 1 1H PHE 1 -8.743 4.384 -10.118 155 H2 PHE 1 2H PHE 1 -10.146 4.425 -9.163 156 H3 PHE 1 3H PHE 1 -9.689 5.791 -10.063 157 HB2 PHE 1 2HB PHE 1 -10.144 4.025 -13.309 158 HB3 PHE 1 1HB PHE 1 -10.233 5.701 -12.773 159 H VAL 2 H VAL 2 -8.731 2.565 -10.494 160 HA VAL 2 HA VAL 2 -10.524 0.225 -11.027 161 HB VAL 2 HB VAL 2 -7.546 0.551 -11.463 162 HG11 VAL 2 1HG1 VAL 2 -9.245 -1.953 -11.370 163 HG12 VAL 2 2HG1 VAL 2 -7.806 -1.597 -10.416 164 HG13 VAL 2 3HG1 VAL 2 -7.664 -1.891 -12.149 165 HG21 VAL 2 3HG2 VAL 2 -8.087 0.675 -13.656 166 HG22 VAL 2 1HG2 VAL 2 -9.758 0.894 -13.135 167 HG23 VAL 2 2HG2 VAL 2 -9.163 -0.718 -13.536 168 H ASN 3 H ASN 3 -11.188 -0.331 -8.954 169 HA ASN 3 HA ASN 3 -9.902 0.051 -6.524 170 HB2 ASN 3 2HB ASN 3 -11.445 -2.429 -7.355 171 HB3 ASN 3 1HB ASN 3 -11.121 -1.935 -5.693 172 HD21 ASN 3 1HD2 ASN 3 -13.801 -2.171 -6.465 173 HD22 ASN 3 2HD2 ASN 3 -14.500 -0.630 -6.605 174 H GLN 4 H GLN 4 -8.143 -0.898 -5.471 175 HA GLN 4 HA GLN 4 -6.788 -3.104 -6.964 176 HB2 GLN 4 2HB GLN 4 -5.338 -1.314 -7.334 177 HB3 GLN 4 1HB GLN 4 -5.711 -0.559 -5.788 178 HG2 GLN 4 2HG GLN 4 -4.033 -1.657 -4.735 179 HG3 GLN 4 1HG GLN 4 -4.461 -3.197 -5.479 180 HE21 GLN 4 1HE2 GLN 4 -1.767 -2.717 -5.324 181 HE22 GLN 4 2HE2 GLN 4 -1.132 -2.285 -6.838 182 H HIS 5 H HIS 5 -6.322 -4.890 -5.781 183 HA HIS 5 HA HIS 5 -6.980 -4.883 -2.901 184 HD2 HIS 5 HD2 HIS 5 -9.624 -6.013 -4.478 185 HE1 HIS 5 HE1 HIS 5 -8.313 -7.461 -8.229 186 HE2 HIS 5 HE2 HIS 5 -10.296 -6.498 -6.944 187 HB2 HIS 5 2HB HIS 5 -5.873 -7.329 -4.182 188 HB3 HIS 5 1HB HIS 5 -7.249 -7.161 -3.094 189 H LEU 6 H LEU 6 -5.396 -5.650 -1.315 190 HA LEU 6 HA LEU 6 -2.570 -5.648 -2.217 191 HG LEU 6 HG LEU 6 -2.802 -2.581 -2.395 192 HB2 LEU 6 2HB LEU 6 -3.920 -3.573 -0.617 193 HB3 LEU 6 1HB LEU 6 -2.453 -4.188 0.114 194 HD11 LEU 6 1HD1 LEU 6 -1.661 -2.271 0.136 195 HD12 LEU 6 2HD1 LEU 6 -1.487 -1.189 -1.240 196 HD13 LEU 6 3HD1 LEU 6 -0.286 -2.448 -0.955 197 HD21 LEU 6 3HD2 LEU 6 -1.622 -4.221 -3.543 198 HD22 LEU 6 1HD2 LEU 6 -0.924 -4.898 -2.072 199 HD23 LEU 6 2HD2 LEU 6 -0.262 -3.418 -2.757 200 H CYS 7 H CYS 7 -1.303 -7.028 -1.093 201 HA CYS 7 HA CYS 7 -1.914 -7.830 1.634 202 HB2 CYS 7 2HB CYS 7 -2.649 -9.623 -0.681 203 HB3 CYS 7 1HB CYS 7 -2.084 -10.340 0.822 204 H GLY 8 H GLY 8 0.032 -8.384 2.520 205 HA2 GLY 8 2HA GLY 8 2.381 -8.687 2.562 206 HA3 GLY 8 1HA GLY 8 1.931 -10.172 1.733 207 H SER 9 H SER 9 3.231 -10.465 0.034 208 HA SER 9 HA SER 9 4.979 -8.767 -1.198 209 HG SER 9 HG SER 9 3.155 -9.899 -3.913 210 HB2 SER 9 2HB SER 9 5.101 -10.280 -2.961 211 HB3 SER 9 1HB SER 9 4.322 -11.269 -1.728 212 H ASP 10 H ASP 10 1.585 -9.169 -2.298 213 HA ASP 10 HA ASP 10 1.707 -7.154 -4.304 214 HB2 ASP 10 2HB ASP 10 -0.640 -8.103 -2.629 215 HB3 ASP 10 1HB ASP 10 -0.773 -7.120 -4.082 216 H LEU 11 H LEU 11 1.177 -7.017 -0.847 217 HA LEU 11 HA LEU 11 0.153 -4.420 -0.519 218 HG LEU 11 HG LEU 11 1.894 -3.743 2.334 219 HB2 LEU 11 2HB LEU 11 0.590 -6.181 1.263 220 HB3 LEU 11 1HB LEU 11 2.281 -5.703 1.218 221 HD11 LEU 11 1HD1 LEU 11 -0.789 -3.703 0.948 222 HD12 LEU 11 2HD1 LEU 11 0.573 -2.609 0.703 223 HD13 LEU 11 3HD1 LEU 11 -0.351 -2.545 2.204 224 HD21 LEU 11 3HD2 LEU 11 0.403 -4.120 4.113 225 HD22 LEU 11 1HD2 LEU 11 0.778 -5.746 3.541 226 HD23 LEU 11 2HD2 LEU 11 -0.744 -4.979 3.085 227 H VAL 12 H VAL 12 3.602 -5.384 -0.599 228 HA VAL 12 HA VAL 12 4.567 -2.685 -0.532 229 HB VAL 12 HB VAL 12 6.680 -3.747 -1.502 230 HG11 VAL 12 1HG1 VAL 12 6.170 -3.441 0.949 231 HG12 VAL 12 2HG1 VAL 12 7.232 -4.806 0.602 232 HG13 VAL 12 3HG1 VAL 12 5.528 -5.084 0.961 233 HG21 VAL 12 3HG2 VAL 12 6.768 -6.130 -1.693 234 HG22 VAL 12 1HG2 VAL 12 5.338 -5.624 -2.590 235 HG23 VAL 12 2HG2 VAL 12 5.167 -6.314 -0.976 236 H GLU 13 H GLU 13 3.404 -4.758 -3.093 237 HA GLU 13 HA GLU 13 4.526 -3.454 -5.345 238 HB2 GLU 13 2HB GLU 13 2.666 -5.475 -4.933 239 HB3 GLU 13 1HB GLU 13 1.713 -4.206 -5.702 240 HG2 GLU 13 2HG GLU 13 3.611 -4.035 -7.419 241 HG3 GLU 13 1HG GLU 13 4.209 -5.553 -6.749 242 H ALA 14 H ALA 14 1.492 -2.770 -3.591 243 HA ALA 14 HA ALA 14 0.867 -0.427 -5.154 244 HB1 ALA 14 3HB ALA 14 -0.071 -0.815 -2.330 245 HB2 ALA 14 1HB ALA 14 -0.671 -1.871 -3.607 246 HB3 ALA 14 2HB ALA 14 -0.945 -0.136 -3.703 247 H LEU 15 H LEU 15 2.584 -1.015 -2.138 248 HA LEU 15 HA LEU 15 2.995 1.812 -1.561 249 HG LEU 15 HG LEU 15 2.203 -0.664 0.486 250 HB2 LEU 15 2HB LEU 15 4.307 -0.708 -0.505 251 HB3 LEU 15 1HB LEU 15 4.724 0.904 0.060 252 HD11 LEU 15 1HD1 LEU 15 2.688 0.922 2.666 253 HD12 LEU 15 2HD1 LEU 15 4.317 0.699 2.029 254 HD13 LEU 15 3HD1 LEU 15 3.338 -0.705 2.457 255 HD21 LEU 15 3HD2 LEU 15 1.139 1.263 -0.376 256 HD22 LEU 15 1HD2 LEU 15 2.408 2.342 0.207 257 HD23 LEU 15 2HD2 LEU 15 1.261 1.633 1.343 258 H TYR 16 H TYR 16 4.310 -0.422 -3.746 259 HA TYR 16 HA TYR 16 7.009 0.660 -3.866 260 HD1 TYR 16 HD2 TYR 16 8.934 -0.101 -5.656 261 HD2 TYR 16 HD1 TYR 16 6.491 -3.116 -3.806 262 HE1 TYR 16 HE2 TYR 16 10.975 -1.268 -4.861 263 HE2 TYR 16 HE1 TYR 16 8.532 -4.282 -3.012 264 HH TYR 16 HH TYR 16 10.742 -4.262 -2.926 265 HB2 TYR 16 2HB TYR 16 5.482 -1.469 -5.145 266 HB3 TYR 16 1HB TYR 16 6.453 -0.575 -6.314 267 H LEU 17 H LEU 17 4.013 1.037 -5.784 268 HA LEU 17 HA LEU 17 5.239 2.930 -7.599 269 HG LEU 17 HG LEU 17 2.359 1.819 -5.842 270 HB2 LEU 17 2HB LEU 17 2.886 3.449 -8.281 271 HB3 LEU 17 1HB LEU 17 3.275 1.732 -8.355 272 HD11 LEU 17 1HD1 LEU 17 0.506 3.373 -5.622 273 HD12 LEU 17 2HD1 LEU 17 0.759 3.965 -7.264 274 HD13 LEU 17 3HD1 LEU 17 1.957 4.294 -6.015 275 HD21 LEU 17 3HD2 LEU 17 1.526 0.423 -7.728 276 HD22 LEU 17 1HD2 LEU 17 0.572 1.796 -8.291 277 HD23 LEU 17 2HD2 LEU 17 0.210 1.050 -6.734 278 H VAL 18 H VAL 18 3.578 3.224 -4.483 279 HA VAL 18 HA VAL 18 3.100 6.031 -4.698 280 HB VAL 18 HB VAL 18 3.037 6.043 -2.207 281 HG11 VAL 18 1HG1 VAL 18 1.121 4.456 -2.087 282 HG12 VAL 18 2HG1 VAL 18 1.604 3.804 -3.655 283 HG13 VAL 18 3HG1 VAL 18 1.062 5.476 -3.524 284 HG21 VAL 18 3HG2 VAL 18 3.052 3.627 -1.253 285 HG22 VAL 18 1HG2 VAL 18 4.599 4.428 -1.502 286 HG23 VAL 18 2HG2 VAL 18 4.018 3.254 -2.674 287 H CYS 19 H CYS 19 5.783 4.478 -2.860 288 HA CYS 19 HA CYS 19 7.237 6.948 -3.589 289 HB2 CYS 19 2HB CYS 19 7.413 5.360 -1.146 290 HB3 CYS 19 1HB CYS 19 8.978 5.711 -1.856 291 H GLY 20 H GLY 20 7.613 3.422 -3.439 292 HA2 GLY 20 2HA GLY 20 8.696 2.072 -5.087 293 HA3 GLY 20 1HA GLY 20 9.345 3.537 -5.825 294 H GLU 21 H GLU 21 11.513 2.811 -5.844 295 HA GLU 21 HA GLU 21 12.892 1.562 -3.730 296 HB2 GLU 21 2HB GLU 21 13.936 1.776 -5.901 297 HB3 GLU 21 1HB GLU 21 13.884 3.537 -5.805 298 HG2 GLU 21 2HG GLU 21 15.476 3.565 -4.002 299 HG3 GLU 21 1HG GLU 21 15.388 1.812 -3.824 300 H ARG 22 H ARG 22 11.743 4.811 -4.000 301 HA ARG 22 HA ARG 22 13.530 6.157 -2.257 302 HE ARG 22 HE ARG 22 9.745 9.220 -5.160 303 HB2 ARG 22 2HB ARG 22 10.540 6.605 -2.488 304 HB3 ARG 22 1HB ARG 22 11.740 7.772 -1.929 305 HG2 ARG 22 2HG ARG 22 12.816 7.127 -4.327 306 HG3 ARG 22 1HG ARG 22 11.107 6.890 -4.692 307 HD2 ARG 22 2HD ARG 22 11.183 9.276 -3.234 308 HD3 ARG 22 1HD ARG 22 12.576 9.371 -4.311 309 HH11 ARG 22 1HH2 ARG 22 12.563 7.976 -6.389 310 HH12 ARG 22 2HH2 ARG 22 12.577 8.922 -7.840 311 HH21 ARG 22 1HH1 ARG 22 9.991 10.996 -6.834 312 HH22 ARG 22 2HH1 ARG 22 11.124 10.628 -8.092 313 H GLY 23 H GLY 23 11.237 3.683 -1.614 314 HA2 GLY 23 2HA GLY 23 11.520 2.538 0.589 315 HA3 GLY 23 1HA GLY 23 11.622 4.141 1.319 316 H PHE 24 H PHE 24 9.694 1.892 1.787 317 HA PHE 24 HA PHE 24 7.202 3.488 1.381 318 HD1 PHE 24 HD1 PHE 24 8.182 -0.499 2.359 319 HD2 PHE 24 HD2 PHE 24 8.182 1.110 -1.627 320 HE1 PHE 24 HE1 PHE 24 9.910 -2.152 1.691 321 HE2 PHE 24 HE2 PHE 24 9.909 -0.542 -2.293 322 HZ PHE 24 HZ PHE 24 10.773 -2.172 -0.635 323 HB2 PHE 24 2HB PHE 24 6.250 0.923 1.393 324 HB3 PHE 24 1HB PHE 24 6.569 1.846 -0.074 325 H PHE 25 H PHE 25 5.451 1.923 2.863 326 HA PHE 25 HA PHE 25 6.845 1.469 5.450 327 HD1 PHE 25 HD2 PHE 25 5.984 0.902 7.264 328 HD2 PHE 25 HD1 PHE 25 5.526 5.177 7.194 329 HE1 PHE 25 HE2 PHE 25 6.647 1.012 9.651 330 HE2 PHE 25 HE1 PHE 25 6.189 5.283 9.581 331 HZ PHE 25 HZ PHE 25 6.749 3.203 10.810 332 HB2 PHE 25 2HB PHE 25 5.684 3.844 5.096 333 HB3 PHE 25 1HB PHE 25 4.238 2.933 5.532 334 H TYR 26 H TYR 26 6.144 -0.711 4.164 335 HA TYR 26 HA TYR 26 3.365 -1.495 4.631 336 HD1 TYR 26 HD1 TYR 26 2.300 -3.708 4.534 337 HD2 TYR 26 HD2 TYR 26 6.315 -5.137 3.949 338 HE1 TYR 26 HE1 TYR 26 1.603 -5.970 5.260 339 HE2 TYR 26 HE2 TYR 26 5.611 -7.395 4.678 340 HH TYR 26 HH TYR 26 3.213 -8.668 4.654 341 HB2 TYR 26 2HB TYR 26 4.323 -2.646 2.816 342 HB3 TYR 26 1HB TYR 26 5.858 -2.866 3.637 343 H THR 27 H THR 27 3.831 -0.599 7.009 344 HA THR 27 HA THR 27 5.295 -2.428 8.748 345 HB THR 27 HB THR 27 5.146 -0.064 9.325 346 HG1 THR 27 HG1 THR 27 3.429 -1.114 11.221 347 HG21 THR 27 3HG2 THR 27 2.164 -0.589 9.294 348 HG22 THR 27 1HG2 THR 27 3.063 0.542 8.282 349 HG23 THR 27 2HG2 THR 27 2.887 0.851 10.010 350 H LYS 28 H LYS 28 4.033 -3.243 10.777 351 HA LYS 28 HA LYS 28 1.435 -4.432 9.882 352 HB2 LYS 28 2HB LYS 28 3.892 -5.691 10.923 353 HB3 LYS 28 1HB LYS 28 2.413 -6.222 11.723 354 HG2 LYS 28 2HG LYS 28 2.187 -7.642 9.970 355 HG3 LYS 28 1HG LYS 28 1.678 -6.218 9.062 356 HD2 LYS 28 2HD LYS 28 3.404 -6.909 7.700 357 HD3 LYS 28 1HD LYS 28 4.327 -5.907 8.820 358 HE2 LYS 28 2HE LYS 28 5.537 -7.931 8.772 359 HE3 LYS 28 1HE LYS 28 4.559 -8.070 10.234 360 HZ1 LYS 28 3HZ LYS 28 4.548 -9.714 7.948 361 HZ2 LYS 28 1HZ LYS 28 3.020 -8.996 8.111 362 HZ3 LYS 28 2HZ LYS 28 3.674 -9.898 9.393 363 HA PRO 29 HA PRO 29 0.534 -2.155 13.693 364 HB2 PRO 29 2HB PRO 29 -2.084 -1.666 13.015 365 HB3 PRO 29 1HB PRO 29 -0.728 -0.647 12.501 366 HG2 PRO 29 2HG PRO 29 -2.293 -2.633 10.915 367 HG3 PRO 29 1HG PRO 29 -1.432 -1.185 10.366 368 HD2 PRO 29 2HD PRO 29 -0.496 -3.834 10.130 369 HD3 PRO 29 1HD PRO 29 0.487 -2.368 9.943 370 H THR 30 H THR 30 0.776 -4.472 14.584 371 HA THR 30 HA THR 30 -1.920 -5.679 15.059 372 HB THR 30 HB THR 30 0.829 -6.962 15.112 373 HG1 THR 30 HG1 THR 30 -0.015 -8.095 13.345 374 HG21 THR 30 3HG2 THR 30 -0.370 -8.094 16.787 375 HG22 THR 30 1HG2 THR 30 -0.670 -9.069 15.348 376 HG23 THR 30 2HG2 THR 30 -1.900 -7.943 15.923 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -2.494 -2.081 11.929 2 H2 GLY 1 2H GLY 1 -3.553 -2.654 10.731 3 H3 GLY 1 3H GLY 1 -4.096 -1.524 11.877 4 HA2 GLY 1 1HA GLY 1 -3.436 0.092 10.483 5 HA3 GLY 1 2HA GLY 1 -1.737 -0.459 10.615 6 H ILE 2 H ILE 2 -1.600 -1.279 8.270 7 HA ILE 2 HA ILE 2 -3.863 -0.450 6.514 8 HB ILE 2 HB ILE 2 -1.567 0.566 6.186 9 HG12 ILE 2 2HG1 ILE 2 -2.970 -0.998 4.015 10 HG13 ILE 2 1HG1 ILE 2 -3.054 0.732 4.342 11 HG21 ILE 2 1HG2 ILE 2 0.259 -0.701 5.629 12 HG22 ILE 2 2HG2 ILE 2 -0.709 -1.918 4.797 13 HG23 ILE 2 3HG2 ILE 2 -0.612 -1.922 6.558 14 HD11 ILE 2 3HD1 ILE 2 -0.503 0.726 3.837 15 HD12 ILE 2 1HD1 ILE 2 -1.620 0.607 2.477 16 HD13 ILE 2 2HD1 ILE 2 -0.810 -0.838 3.083 17 H THR 3 H THR 3 -2.461 -3.206 7.839 18 HA THR 3 HA THR 3 -2.813 -4.961 5.534 19 HB THR 3 HB THR 3 -2.420 -5.598 8.471 20 HG1 THR 3 HG1 THR 3 -0.749 -4.478 7.106 21 HG21 THR 3 3HG2 THR 3 -1.723 -7.524 6.317 22 HG22 THR 3 1HG2 THR 3 -3.441 -7.308 6.654 23 HG23 THR 3 2HG2 THR 3 -2.348 -7.826 7.938 24 H GLU 4 H GLU 4 -4.566 -4.341 8.549 25 HA GLU 4 HA GLU 4 -6.744 -6.144 7.762 26 HB2 GLU 4 2HB GLU 4 -6.130 -5.884 10.148 27 HB3 GLU 4 1HB GLU 4 -6.571 -4.177 10.065 28 HG2 GLU 4 2HG GLU 4 -8.697 -4.747 10.537 29 HG3 GLU 4 1HG GLU 4 -8.766 -5.608 8.999 30 H GLN 5 H GLN 5 -6.429 -4.274 5.773 31 HA GLN 5 HA GLN 5 -9.052 -3.057 5.684 32 HB2 GLN 5 2HB GLN 5 -7.585 -1.462 7.139 33 HB3 GLN 5 1HB GLN 5 -6.797 -1.051 5.613 34 HG2 GLN 5 2HG GLN 5 -8.581 0.133 4.877 35 HG3 GLN 5 1HG GLN 5 -9.730 -1.079 5.446 36 HE21 GLN 5 1HE2 GLN 5 -7.876 1.788 6.434 37 HE22 GLN 5 2HE2 GLN 5 -8.767 2.086 7.848 38 H CYS 6 H CYS 6 -5.739 -2.700 4.418 39 HA CYS 6 HA CYS 6 -6.731 -2.359 1.691 40 HB2 CYS 6 2HB CYS 6 -4.033 -2.485 2.998 41 HB3 CYS 6 1HB CYS 6 -4.150 -2.696 1.260 42 H CYS 7 H CYS 7 -6.265 -4.968 3.729 43 HA CYS 7 HA CYS 7 -5.994 -6.783 1.375 44 HB2 CYS 7 2HB CYS 7 -4.058 -6.941 2.880 45 HB3 CYS 7 1HB CYS 7 -5.128 -7.266 4.238 46 H THR 8 H THR 8 -7.804 -5.897 4.202 47 HA THR 8 HA THR 8 -9.519 -8.303 4.019 48 HB THR 8 HB THR 8 -9.951 -5.872 5.769 49 HG1 THR 8 HG1 THR 8 -7.950 -6.557 6.311 50 HG21 THR 8 3HG2 THR 8 -11.672 -7.065 6.583 51 HG22 THR 8 1HG2 THR 8 -10.619 -8.446 6.889 52 HG23 THR 8 2HG2 THR 8 -11.390 -8.256 5.314 53 H SER 9 H SER 9 -9.319 -5.088 2.845 54 HA SER 9 HA SER 9 -11.992 -5.395 1.581 55 HG SER 9 HG SER 9 -13.679 -3.831 2.283 56 HB2 SER 9 2HB SER 9 -11.959 -3.842 3.679 57 HB3 SER 9 1HB SER 9 -11.094 -2.718 2.637 58 H ILE 10 H ILE 10 -11.231 -2.378 0.778 59 HA ILE 10 HA ILE 10 -9.097 -3.068 -1.172 60 HB ILE 10 HB ILE 10 -11.609 -1.648 -2.057 61 HG12 ILE 10 2HG1 ILE 10 -12.148 -3.945 -1.180 62 HG13 ILE 10 1HG1 ILE 10 -12.449 -3.764 -2.908 63 HG21 ILE 10 1HG2 ILE 10 -9.152 -2.796 -3.320 64 HG22 ILE 10 2HG2 ILE 10 -10.001 -1.295 -3.685 65 HG23 ILE 10 3HG2 ILE 10 -10.656 -2.836 -4.240 66 HD11 ILE 10 3HD1 ILE 10 -10.704 -5.141 -3.499 67 HD12 ILE 10 1HD1 ILE 10 -11.055 -5.833 -1.915 68 HD13 ILE 10 2HD1 ILE 10 -9.732 -4.681 -2.101 69 H CYS 11 H CYS 11 -7.776 -1.315 -1.672 70 HA CYS 11 HA CYS 11 -8.508 1.275 -0.360 71 HB2 CYS 11 2HB CYS 11 -5.774 0.067 -0.885 72 HB3 CYS 11 1HB CYS 11 -6.042 1.682 -0.234 73 H SER 12 H SER 12 -6.472 2.814 -1.622 74 HA SER 12 HA SER 12 -7.055 2.546 -4.527 75 HG SER 12 HG SER 12 -7.302 6.204 -3.044 76 HB2 SER 12 2HB SER 12 -7.611 4.937 -4.678 77 HB3 SER 12 1HB SER 12 -8.730 4.111 -3.596 78 H LEU 13 H LEU 13 -5.181 2.674 -5.610 79 HA LEU 13 HA LEU 13 -2.637 3.011 -4.657 80 HG LEU 13 HG LEU 13 -4.957 4.343 -6.856 81 HB2 LEU 13 2HB LEU 13 -2.063 4.006 -6.921 82 HB3 LEU 13 1HB LEU 13 -2.907 2.464 -6.936 83 HD11 LEU 13 1HD1 LEU 13 -4.368 6.189 -8.021 84 HD12 LEU 13 2HD1 LEU 13 -3.521 5.234 -9.239 85 HD13 LEU 13 3HD1 LEU 13 -2.695 5.699 -7.751 86 HD21 LEU 13 3HD2 LEU 13 -5.142 2.335 -8.101 87 HD22 LEU 13 1HD2 LEU 13 -3.705 2.704 -9.054 88 HD23 LEU 13 2HD2 LEU 13 -5.187 3.629 -9.298 89 H TYR 14 H TYR 14 -4.916 5.513 -5.509 90 HA TYR 14 HA TYR 14 -3.354 7.825 -5.376 91 HD1 TYR 14 HD1 TYR 14 -4.822 9.007 -7.355 92 HD2 TYR 14 HD2 TYR 14 -5.725 10.126 -3.305 93 HE1 TYR 14 HE1 TYR 14 -4.572 11.402 -7.961 94 HE2 TYR 14 HE2 TYR 14 -5.474 12.519 -3.910 95 HH TYR 14 HH TYR 14 -5.075 13.541 -7.243 96 HB2 TYR 14 2HB TYR 14 -5.964 7.437 -5.713 97 HB3 TYR 14 1HB TYR 14 -6.005 7.872 -4.008 98 H GLN 15 H GLN 15 -5.359 6.883 -2.605 99 HA GLN 15 HA GLN 15 -3.743 8.320 -0.725 100 HB2 GLN 15 2HB GLN 15 -5.952 6.328 -0.565 101 HB3 GLN 15 1HB GLN 15 -4.962 6.551 0.878 102 HG2 GLN 15 2HG GLN 15 -5.892 9.015 -0.516 103 HG3 GLN 15 1HG GLN 15 -7.103 8.090 0.374 104 HE21 GLN 15 1HE2 GLN 15 -3.781 9.429 0.826 105 HE22 GLN 15 2HE2 GLN 15 -3.988 9.774 2.475 106 H LEU 16 H LEU 16 -3.881 4.997 -1.775 107 HA LEU 16 HA LEU 16 -2.241 3.598 -0.064 108 HG LEU 16 HG LEU 16 -0.232 2.514 -1.755 109 HB2 LEU 16 2HB LEU 16 -3.212 2.586 -2.050 110 HB3 LEU 16 1HB LEU 16 -2.244 3.628 -3.084 111 HD11 LEU 16 1HD1 LEU 16 -2.306 0.311 -1.754 112 HD12 LEU 16 2HD1 LEU 16 -1.904 1.247 -0.314 113 HD13 LEU 16 3HD1 LEU 16 -0.673 0.251 -1.091 114 HD21 LEU 16 3HD2 LEU 16 -1.748 1.021 -3.913 115 HD22 LEU 16 1HD2 LEU 16 -0.018 0.931 -3.583 116 HD23 LEU 16 2HD2 LEU 16 -0.718 2.420 -4.217 117 H GLU 17 H GLU 17 -1.264 6.010 -2.441 118 HA GLU 17 HA GLU 17 1.569 5.521 -2.188 119 HB2 GLU 17 2HB GLU 17 0.971 6.583 -4.181 120 HB3 GLU 17 1HB GLU 17 -0.127 7.698 -3.374 121 HG2 GLU 17 2HG GLU 17 1.719 8.950 -2.443 122 HG3 GLU 17 1HG GLU 17 2.881 7.744 -2.996 123 H ASN 18 H ASN 18 -0.719 7.325 -0.307 124 HA ASN 18 HA ASN 18 1.113 9.194 0.886 125 HB2 ASN 18 2HB ASN 18 -1.495 9.127 0.953 126 HB3 ASN 18 1HB ASN 18 -1.264 8.097 2.364 127 HD21 ASN 18 1HD2 ASN 18 0.758 9.173 3.782 128 HD22 ASN 18 2HD2 ASN 18 0.490 10.809 4.146 129 H TYR 19 H TYR 19 0.977 5.836 1.135 130 HA TYR 19 HA TYR 19 1.940 5.782 3.931 131 HD1 TYR 19 HD2 TYR 19 0.501 4.032 5.493 132 HD2 TYR 19 HD1 TYR 19 -0.806 4.077 1.402 133 HE1 TYR 19 HE2 TYR 19 -1.854 4.176 6.247 134 HE2 TYR 19 HE1 TYR 19 -3.162 4.220 2.151 135 HH TYR 19 HH TYR 19 -4.382 3.429 4.548 136 HB2 TYR 19 2HB TYR 19 1.458 3.554 1.929 137 HB3 TYR 19 1HB TYR 19 1.982 3.309 3.594 138 H CYS 20 H CYS 20 3.518 7.113 1.826 139 HA CYS 20 HA CYS 20 5.859 5.274 1.677 140 HB2 CYS 20 2HB CYS 20 4.809 6.675 -0.337 141 HB3 CYS 20 1HB CYS 20 5.908 7.894 0.263 142 H ASN 21 H ASN 21 7.954 6.753 1.600 143 HA ASN 21 HA ASN 21 7.967 8.207 4.203 144 HB2 ASN 21 2HB ASN 21 9.553 6.263 3.809 145 HB3 ASN 21 1HB ASN 21 10.356 7.264 2.599 146 HD21 ASN 21 1HD2 ASN 21 11.089 6.287 5.510 147 HD22 ASN 21 2HD2 ASN 21 11.670 7.705 6.240 148 HA PHE 1 HA PHE 1 -9.033 5.848 -6.656 149 HD1 PHE 1 HD2 PHE 1 -7.059 8.087 -9.082 150 HD2 PHE 1 HD1 PHE 1 -10.426 6.069 -10.831 151 HE1 PHE 1 HE2 PHE 1 -6.006 8.271 -11.321 152 HE2 PHE 1 HE1 PHE 1 -9.373 6.254 -13.071 153 HZ PHE 1 HZ PHE 1 -7.163 7.355 -13.315 154 H1 PHE 1 1H PHE 1 -7.032 4.816 -7.468 155 H2 PHE 1 2H PHE 1 -6.947 6.491 -7.741 156 H3 PHE 1 3H PHE 1 -7.292 5.434 -9.026 157 HB2 PHE 1 2HB PHE 1 -10.518 6.848 -8.558 158 HB3 PHE 1 1HB PHE 1 -9.232 7.845 -7.878 159 H VAL 2 H VAL 2 -7.904 3.554 -8.627 160 HA VAL 2 HA VAL 2 -10.539 2.445 -9.425 161 HB VAL 2 HB VAL 2 -9.008 0.623 -10.430 162 HG11 VAL 2 1HG1 VAL 2 -8.984 3.515 -11.323 163 HG12 VAL 2 2HG1 VAL 2 -10.053 2.226 -11.874 164 HG13 VAL 2 3HG1 VAL 2 -8.346 2.207 -12.317 165 HG21 VAL 2 3HG2 VAL 2 -6.708 0.998 -10.534 166 HG22 VAL 2 1HG2 VAL 2 -7.075 1.599 -8.917 167 HG23 VAL 2 2HG2 VAL 2 -6.875 2.731 -10.255 168 H ASN 3 H ASN 3 -10.535 -0.123 -9.093 169 HA ASN 3 HA ASN 3 -10.317 -0.501 -6.179 170 HB2 ASN 3 2HB ASN 3 -11.085 -2.818 -7.848 171 HB3 ASN 3 1HB ASN 3 -11.880 -2.143 -6.428 172 HD21 ASN 3 1HD2 ASN 3 -12.524 -2.713 -9.580 173 HD22 ASN 3 2HD2 ASN 3 -13.525 -1.389 -9.938 174 H GLN 4 H GLN 4 -8.551 -1.429 -5.252 175 HA GLN 4 HA GLN 4 -6.980 -3.378 -6.848 176 HB2 GLN 4 2HB GLN 4 -5.719 -1.394 -7.202 177 HB3 GLN 4 1HB GLN 4 -5.947 -0.859 -5.538 178 HG2 GLN 4 2HG GLN 4 -3.701 -1.700 -5.711 179 HG3 GLN 4 1HG GLN 4 -4.630 -2.890 -4.801 180 HE21 GLN 4 1HE2 GLN 4 -3.385 -4.747 -5.464 181 HE22 GLN 4 2HE2 GLN 4 -3.350 -5.295 -7.071 182 H HIS 5 H HIS 5 -6.583 -5.158 -5.640 183 HA HIS 5 HA HIS 5 -7.173 -5.092 -2.750 184 HD2 HIS 5 HD2 HIS 5 -7.826 -6.296 -6.594 185 HE1 HIS 5 HE1 HIS 5 -11.463 -7.397 -4.740 186 HE2 HIS 5 HE2 HIS 5 -10.389 -6.606 -6.915 187 HB2 HIS 5 2HB HIS 5 -6.222 -7.468 -4.369 188 HB3 HIS 5 1HB HIS 5 -7.129 -7.482 -2.856 189 H LEU 6 H LEU 6 -5.590 -5.628 -1.145 190 HA LEU 6 HA LEU 6 -2.783 -5.831 -2.075 191 HG LEU 6 HG LEU 6 -2.914 -2.751 -2.533 192 HB2 LEU 6 2HB LEU 6 -4.041 -3.562 -0.687 193 HB3 LEU 6 1HB LEU 6 -2.587 -4.147 0.090 194 HD11 LEU 6 1HD1 LEU 6 -0.352 -2.772 -1.094 195 HD12 LEU 6 2HD1 LEU 6 -1.720 -2.234 -0.118 196 HD13 LEU 6 3HD1 LEU 6 -1.338 -1.413 -1.629 197 HD21 LEU 6 3HD2 LEU 6 -1.946 -4.631 -3.555 198 HD22 LEU 6 1HD2 LEU 6 -1.092 -5.114 -2.090 199 HD23 LEU 6 2HD2 LEU 6 -0.507 -3.751 -3.039 200 H CYS 7 H CYS 7 -1.592 -7.204 -0.920 201 HA CYS 7 HA CYS 7 -2.179 -7.711 1.906 202 HB2 CYS 7 2HB CYS 7 -2.467 -9.946 -0.145 203 HB3 CYS 7 1HB CYS 7 -2.506 -10.158 1.601 204 H GLY 8 H GLY 8 -0.290 -8.238 2.914 205 HA2 GLY 8 2HA GLY 8 2.090 -8.348 3.037 206 HA3 GLY 8 1HA GLY 8 1.709 -9.957 2.438 207 H SER 9 H SER 9 2.950 -10.507 0.755 208 HA SER 9 HA SER 9 4.781 -9.023 -0.632 209 HG SER 9 HG SER 9 4.984 -10.306 -3.205 210 HB2 SER 9 2HB SER 9 4.030 -11.547 -0.877 211 HB3 SER 9 1HB SER 9 3.125 -10.922 -2.253 212 H ASP 10 H ASP 10 1.375 -9.412 -1.699 213 HA ASP 10 HA ASP 10 1.642 -7.625 -3.928 214 HB2 ASP 10 2HB ASP 10 -0.736 -8.559 -2.309 215 HB3 ASP 10 1HB ASP 10 -0.897 -7.472 -3.684 216 H LEU 11 H LEU 11 1.039 -7.171 -0.527 217 HA LEU 11 HA LEU 11 0.000 -4.545 -0.495 218 HG LEU 11 HG LEU 11 1.697 -3.612 2.317 219 HB2 LEU 11 2HB LEU 11 0.306 -6.103 1.476 220 HB3 LEU 11 1HB LEU 11 2.019 -5.711 1.445 221 HD11 LEU 11 1HD1 LEU 11 -0.553 -2.406 2.041 222 HD12 LEU 11 2HD1 LEU 11 -0.937 -3.650 0.851 223 HD13 LEU 11 3HD1 LEU 11 0.442 -2.579 0.595 224 HD21 LEU 11 3HD2 LEU 11 0.425 -3.917 4.178 225 HD22 LEU 11 1HD2 LEU 11 0.255 -5.556 3.548 226 HD23 LEU 11 2HD2 LEU 11 -1.006 -4.360 3.246 227 H VAL 12 H VAL 12 3.415 -5.616 -0.482 228 HA VAL 12 HA VAL 12 4.455 -2.925 -0.574 229 HB VAL 12 HB VAL 12 6.582 -4.127 -1.368 230 HG11 VAL 12 1HG1 VAL 12 7.127 -4.527 0.827 231 HG12 VAL 12 2HG1 VAL 12 5.650 -5.439 1.138 232 HG13 VAL 12 3HG1 VAL 12 5.606 -3.677 1.096 233 HG21 VAL 12 3HG2 VAL 12 5.255 -6.085 -2.294 234 HG22 VAL 12 1HG2 VAL 12 4.973 -6.581 -0.626 235 HG23 VAL 12 2HG2 VAL 12 6.615 -6.525 -1.262 236 H GLU 13 H GLU 13 3.559 -5.299 -3.040 237 HA GLU 13 HA GLU 13 4.743 -4.134 -5.312 238 HB2 GLU 13 2HB GLU 13 3.379 -6.252 -5.286 239 HB3 GLU 13 1HB GLU 13 1.927 -5.255 -5.188 240 HG2 GLU 13 2HG GLU 13 2.502 -4.165 -7.310 241 HG3 GLU 13 1HG GLU 13 3.991 -5.107 -7.406 242 H ALA 14 H ALA 14 1.430 -3.491 -4.115 243 HA ALA 14 HA ALA 14 0.865 -1.297 -5.787 244 HB1 ALA 14 3HB ALA 14 -0.779 -2.424 -4.284 245 HB2 ALA 14 1HB ALA 14 -0.811 -0.669 -4.133 246 HB3 ALA 14 2HB ALA 14 -0.002 -1.642 -2.906 247 H LEU 15 H LEU 15 2.149 -1.225 -2.458 248 HA LEU 15 HA LEU 15 2.643 1.564 -2.354 249 HG LEU 15 HG LEU 15 1.882 -0.840 -0.295 250 HB2 LEU 15 2HB LEU 15 4.145 -0.690 -0.995 251 HB3 LEU 15 1HB LEU 15 4.253 1.011 -0.552 252 HD11 LEU 15 1HD1 LEU 15 2.014 0.482 2.000 253 HD12 LEU 15 2HD1 LEU 15 3.680 0.754 1.490 254 HD13 LEU 15 3HD1 LEU 15 3.076 -0.891 1.690 255 HD21 LEU 15 3HD2 LEU 15 0.563 1.175 0.340 256 HD22 LEU 15 1HD2 LEU 15 1.072 1.239 -1.347 257 HD23 LEU 15 2HD2 LEU 15 1.919 2.198 -0.134 258 H TYR 16 H TYR 16 4.498 -1.060 -3.779 259 HA TYR 16 HA TYR 16 6.995 0.295 -4.008 260 HD1 TYR 16 HD2 TYR 16 9.027 -0.228 -5.370 261 HD2 TYR 16 HD1 TYR 16 7.036 -3.625 -3.648 262 HE1 TYR 16 HE2 TYR 16 11.162 -0.957 -4.338 263 HE2 TYR 16 HE1 TYR 16 9.172 -4.354 -2.617 264 HH TYR 16 HH TYR 16 12.113 -2.375 -2.887 265 HB2 TYR 16 2HB TYR 16 5.816 -2.153 -4.971 266 HB3 TYR 16 1HB TYR 16 6.712 -1.367 -6.273 267 H LEU 17 H LEU 17 4.602 -0.220 -6.630 268 HA LEU 17 HA LEU 17 5.800 1.552 -8.461 269 HG LEU 17 HG LEU 17 2.927 0.456 -6.831 270 HB2 LEU 17 2HB LEU 17 3.407 1.800 -9.387 271 HB3 LEU 17 1HB LEU 17 4.104 0.182 -9.337 272 HD11 LEU 17 1HD1 LEU 17 1.176 1.700 -8.964 273 HD12 LEU 17 2HD1 LEU 17 1.740 2.467 -7.479 274 HD13 LEU 17 3HD1 LEU 17 0.584 1.137 -7.401 275 HD21 LEU 17 3HD2 LEU 17 1.395 -1.240 -7.644 276 HD22 LEU 17 1HD2 LEU 17 2.961 -1.510 -8.410 277 HD23 LEU 17 2HD2 LEU 17 1.659 -0.737 -9.314 278 H VAL 18 H VAL 18 3.983 2.332 -5.589 279 HA VAL 18 HA VAL 18 3.577 5.120 -6.514 280 HB VAL 18 HB VAL 18 2.526 5.453 -4.286 281 HG11 VAL 18 1HG1 VAL 18 1.301 4.521 -6.321 282 HG12 VAL 18 2HG1 VAL 18 0.552 4.216 -4.752 283 HG13 VAL 18 3HG1 VAL 18 1.462 2.938 -5.559 284 HG21 VAL 18 3HG2 VAL 18 3.118 2.511 -3.945 285 HG22 VAL 18 1HG2 VAL 18 2.153 3.492 -2.847 286 HG23 VAL 18 2HG2 VAL 18 3.874 3.817 -3.033 287 H CYS 19 H CYS 19 5.321 3.308 -4.085 288 HA CYS 19 HA CYS 19 6.672 5.619 -2.968 289 HB2 CYS 19 2HB CYS 19 6.799 2.657 -2.631 290 HB3 CYS 19 1HB CYS 19 8.220 3.581 -2.160 291 H GLY 20 H GLY 20 8.035 2.757 -4.573 292 HA2 GLY 20 2HA GLY 20 9.636 2.748 -6.374 293 HA3 GLY 20 1HA GLY 20 9.852 4.490 -6.154 294 H GLU 21 H GLU 21 12.211 4.026 -6.053 295 HA GLU 21 HA GLU 21 13.258 2.386 -3.911 296 HB2 GLU 21 2HB GLU 21 15.315 2.830 -4.808 297 HB3 GLU 21 1HB GLU 21 14.354 3.381 -6.176 298 HG2 GLU 21 2HG GLU 21 15.683 5.248 -5.892 299 HG3 GLU 21 1HG GLU 21 14.383 5.670 -4.776 300 H ARG 22 H ARG 22 11.573 5.205 -3.678 301 HA ARG 22 HA ARG 22 13.190 6.673 -1.792 302 HE ARG 22 HE ARG 22 12.168 11.416 -2.687 303 HB2 ARG 22 2HB ARG 22 10.253 6.733 -2.499 304 HB3 ARG 22 1HB ARG 22 10.943 7.778 -1.256 305 HG2 ARG 22 2HG ARG 22 12.726 8.236 -3.215 306 HG3 ARG 22 1HG ARG 22 11.324 7.842 -4.210 307 HD2 ARG 22 2HD ARG 22 10.710 9.999 -3.915 308 HD3 ARG 22 1HD ARG 22 10.256 9.514 -2.282 309 HH11 ARG 22 1HH2 ARG 22 11.694 9.631 -0.143 310 HH12 ARG 22 2HH2 ARG 22 13.336 9.216 0.221 311 HH21 ARG 22 1HH1 ARG 22 14.558 10.229 -2.859 312 HH22 ARG 22 2HH1 ARG 22 14.954 9.549 -1.317 313 H GLY 23 H GLY 23 11.286 3.823 -1.512 314 HA2 GLY 23 2HA GLY 23 11.428 2.462 0.507 315 HA3 GLY 23 1HA GLY 23 11.669 3.935 1.442 316 H PHE 24 H PHE 24 9.575 1.624 1.411 317 HA PHE 24 HA PHE 24 7.156 3.387 1.388 318 HD1 PHE 24 HD2 PHE 24 8.731 1.223 -1.233 319 HD2 PHE 24 HD1 PHE 24 7.229 -1.009 2.119 320 HE1 PHE 24 HE2 PHE 24 10.332 -0.605 -1.732 321 HE2 PHE 24 HE1 PHE 24 8.829 -2.836 1.619 322 HZ PHE 24 HZ PHE 24 10.381 -2.635 -0.306 323 HB2 PHE 24 2HB PHE 24 6.056 0.938 1.326 324 HB3 PHE 24 1HB PHE 24 6.548 1.768 -0.147 325 H PHE 25 H PHE 25 5.387 1.936 2.840 326 HA PHE 25 HA PHE 25 6.709 1.785 5.517 327 HD1 PHE 25 HD2 PHE 25 6.307 1.937 7.518 328 HD2 PHE 25 HD1 PHE 25 4.166 5.194 5.704 329 HE1 PHE 25 HE2 PHE 25 7.125 3.462 9.292 330 HE2 PHE 25 HE1 PHE 25 4.987 6.717 7.479 331 HZ PHE 25 HZ PHE 25 6.465 5.853 9.272 332 HB2 PHE 25 2HB PHE 25 4.326 3.113 4.575 333 HB3 PHE 25 1HB PHE 25 3.883 1.927 5.799 334 H TYR 26 H TYR 26 3.539 0.531 4.471 335 HA TYR 26 HA TYR 26 2.618 -1.613 4.723 336 HD1 TYR 26 HD1 TYR 26 2.310 -3.558 5.327 337 HD2 TYR 26 HD2 TYR 26 6.022 -4.663 3.459 338 HE1 TYR 26 HE1 TYR 26 1.876 -5.935 5.873 339 HE2 TYR 26 HE2 TYR 26 5.586 -7.039 4.007 340 HH TYR 26 HH TYR 26 4.097 -8.240 5.940 341 HB2 TYR 26 2HB TYR 26 4.176 -2.301 3.011 342 HB3 TYR 26 1HB TYR 26 5.512 -2.292 4.149 343 H THR 27 H THR 27 2.980 -0.294 7.077 344 HA THR 27 HA THR 27 4.578 -1.878 8.948 345 HB THR 27 HB THR 27 4.141 -0.207 10.467 346 HG1 THR 27 HG1 THR 27 1.576 0.084 9.295 347 HG21 THR 27 3HG2 THR 27 2.967 1.496 8.339 348 HG22 THR 27 1HG2 THR 27 4.513 0.737 7.956 349 HG23 THR 27 2HG2 THR 27 4.370 1.787 9.367 350 H LYS 28 H LYS 28 3.835 -3.469 10.317 351 HA LYS 28 HA LYS 28 1.012 -3.890 10.835 352 HB2 LYS 28 2HB LYS 28 0.794 -6.061 9.725 353 HB3 LYS 28 1HB LYS 28 1.186 -4.818 8.540 354 HG2 LYS 28 2HG LYS 28 3.261 -6.622 9.821 355 HG3 LYS 28 1HG LYS 28 2.498 -6.957 8.271 356 HD2 LYS 28 2HD LYS 28 4.099 -5.696 7.319 357 HD3 LYS 28 1HD LYS 28 3.344 -4.295 8.077 358 HE2 LYS 28 2HE LYS 28 5.398 -4.063 9.058 359 HE3 LYS 28 1HE LYS 28 4.756 -5.259 10.181 360 HZ1 LYS 28 3HZ LYS 28 6.715 -5.582 8.039 361 HZ2 LYS 28 1HZ LYS 28 5.662 -6.880 8.329 362 HZ3 LYS 28 2HZ LYS 28 6.658 -6.301 9.578 363 HA PRO 29 HA PRO 29 4.248 -5.777 13.664 364 HB2 PRO 29 2HB PRO 29 4.099 -3.907 15.672 365 HB3 PRO 29 1HB PRO 29 5.264 -3.824 14.339 366 HG2 PRO 29 2HG PRO 29 2.759 -2.246 14.750 367 HG3 PRO 29 1HG PRO 29 4.248 -1.788 13.904 368 HD2 PRO 29 2HD PRO 29 1.870 -2.618 12.660 369 HD3 PRO 29 1HD PRO 29 3.473 -2.571 11.902 370 H THR 30 H THR 30 2.235 -3.895 15.814 371 HA THR 30 HA THR 30 0.120 -5.867 16.079 372 HB THR 30 HB THR 30 1.972 -7.074 17.199 373 HG1 THR 30 HG1 THR 30 -0.383 -6.584 18.151 374 HG21 THR 30 3HG2 THR 30 3.455 -6.009 18.507 375 HG22 THR 30 1HG2 THR 30 2.167 -5.373 19.530 376 HG23 THR 30 2HG2 THR 30 2.656 -4.495 18.081 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -3.292 -3.858 10.970 2 H2 GLY 1 2H GLY 1 -2.595 -2.912 12.196 3 H3 GLY 1 3H GLY 1 -1.779 -4.282 11.611 4 HA2 GLY 1 1HA GLY 1 -1.860 -1.676 10.459 5 HA3 GLY 1 2HA GLY 1 -0.579 -2.916 10.306 6 H ILE 2 H ILE 2 -0.790 -2.816 7.951 7 HA ILE 2 HA ILE 2 -3.276 -1.694 6.746 8 HB ILE 2 HB ILE 2 -1.312 -0.441 6.128 9 HG12 ILE 2 2HG1 ILE 2 -2.312 -2.316 3.974 10 HG13 ILE 2 1HG1 ILE 2 -2.811 -0.654 4.282 11 HG21 ILE 2 1HG2 ILE 2 0.376 -2.124 6.676 12 HG22 ILE 2 2HG2 ILE 2 0.618 -1.544 5.029 13 HG23 ILE 2 3HG2 ILE 2 -0.139 -3.112 5.310 14 HD11 ILE 2 3HD1 ILE 2 -0.086 -1.548 3.297 15 HD12 ILE 2 1HD1 ILE 2 -0.524 0.118 3.678 16 HD13 ILE 2 2HD1 ILE 2 -1.319 -0.720 2.345 17 H THR 3 H THR 3 -1.358 -4.570 6.991 18 HA THR 3 HA THR 3 -2.269 -5.859 4.578 19 HB THR 3 HB THR 3 -1.249 -6.996 7.197 20 HG1 THR 3 HG1 THR 3 -0.053 -6.725 4.641 21 HG21 THR 3 3HG2 THR 3 -0.852 -9.052 5.713 22 HG22 THR 3 1HG2 THR 3 -1.989 -8.317 4.583 23 HG23 THR 3 2HG2 THR 3 -2.516 -8.749 6.209 24 H GLU 4 H GLU 4 -3.925 -4.952 7.367 25 HA GLU 4 HA GLU 4 -5.898 -7.168 7.095 26 HB2 GLU 4 2HB GLU 4 -4.884 -6.299 9.368 27 HB3 GLU 4 1HB GLU 4 -6.085 -5.020 9.187 28 HG2 GLU 4 2HG GLU 4 -7.413 -6.540 10.277 29 HG3 GLU 4 1HG GLU 4 -7.641 -7.152 8.638 30 H GLN 5 H GLN 5 -5.858 -5.377 4.971 31 HA GLN 5 HA GLN 5 -8.557 -4.566 4.749 32 HB2 GLN 5 2HB GLN 5 -7.404 -2.858 6.487 33 HB3 GLN 5 1HB GLN 5 -6.955 -2.063 4.977 34 HG2 GLN 5 2HG GLN 5 -9.068 -1.356 4.615 35 HG3 GLN 5 1HG GLN 5 -9.733 -2.954 4.956 36 HE21 GLN 5 1HE2 GLN 5 -11.466 -2.044 6.290 37 HE22 GLN 5 2HE2 GLN 5 -11.145 -1.406 7.830 38 H CYS 6 H CYS 6 -5.272 -3.459 3.905 39 HA CYS 6 HA CYS 6 -5.912 -2.679 1.218 40 HB2 CYS 6 2HB CYS 6 -3.450 -3.223 2.790 41 HB3 CYS 6 1HB CYS 6 -3.293 -3.368 1.044 42 H CYS 7 H CYS 7 -5.756 -5.719 2.685 43 HA CYS 7 HA CYS 7 -5.523 -7.011 0.001 44 HB2 CYS 7 2HB CYS 7 -3.632 -7.636 1.374 45 HB3 CYS 7 1HB CYS 7 -4.679 -8.023 2.731 46 H THR 8 H THR 8 -7.147 -7.060 3.164 47 HA THR 8 HA THR 8 -9.036 -9.125 2.435 48 HB THR 8 HB THR 8 -9.180 -6.893 4.490 49 HG1 THR 8 HG1 THR 8 -7.696 -8.884 4.521 50 HG21 THR 8 3HG2 THR 8 -10.952 -8.699 5.383 51 HG22 THR 8 1HG2 THR 8 -11.137 -8.974 3.651 52 HG23 THR 8 2HG2 THR 8 -11.420 -7.369 4.324 53 H SER 9 H SER 9 -8.665 -5.785 1.718 54 HA SER 9 HA SER 9 -11.029 -5.848 -0.038 55 HG SER 9 HG SER 9 -13.077 -4.326 0.703 56 HB2 SER 9 2HB SER 9 -10.961 -4.416 2.509 57 HB3 SER 9 1HB SER 9 -11.233 -3.328 1.152 58 H ILE 10 H ILE 10 -11.009 -3.244 -0.920 59 HA ILE 10 HA ILE 10 -8.243 -3.023 -1.987 60 HB ILE 10 HB ILE 10 -10.855 -1.791 -2.894 61 HG12 ILE 10 2HG1 ILE 10 -9.013 -3.724 -4.323 62 HG13 ILE 10 1HG1 ILE 10 -10.349 -4.268 -3.309 63 HG21 ILE 10 1HG2 ILE 10 -8.102 -0.999 -3.362 64 HG22 ILE 10 2HG2 ILE 10 -9.588 -0.217 -3.902 65 HG23 ILE 10 3HG2 ILE 10 -8.868 -1.506 -4.867 66 HD11 ILE 10 3HD1 ILE 10 -10.564 -3.677 -5.977 67 HD12 ILE 10 1HD1 ILE 10 -11.082 -2.167 -5.229 68 HD13 ILE 10 2HD1 ILE 10 -11.911 -3.674 -4.837 69 H CYS 11 H CYS 11 -6.941 -1.305 -1.454 70 HA CYS 11 HA CYS 11 -7.906 0.537 0.627 71 HB2 CYS 11 2HB CYS 11 -5.259 -0.127 -0.600 72 HB3 CYS 11 1HB CYS 11 -5.441 1.435 0.197 73 H SER 12 H SER 12 -7.071 2.922 0.302 74 HA SER 12 HA SER 12 -8.034 3.827 -2.381 75 HG SER 12 HG SER 12 -7.518 4.899 1.033 76 HB2 SER 12 2HB SER 12 -8.054 6.065 -0.808 77 HB3 SER 12 1HB SER 12 -9.447 5.014 -1.049 78 H LEU 13 H LEU 13 -6.224 4.013 -3.592 79 HA LEU 13 HA LEU 13 -3.604 4.385 -3.222 80 HG LEU 13 HG LEU 13 -5.622 3.899 -5.343 81 HB2 LEU 13 2HB LEU 13 -4.521 6.662 -4.823 82 HB3 LEU 13 1HB LEU 13 -3.493 5.315 -5.277 83 HD11 LEU 13 1HD1 LEU 13 -7.533 4.892 -4.665 84 HD12 LEU 13 2HD1 LEU 13 -7.383 6.031 -6.003 85 HD13 LEU 13 3HD1 LEU 13 -6.682 6.418 -4.432 86 HD21 LEU 13 3HD2 LEU 13 -4.455 5.749 -7.181 87 HD22 LEU 13 1HD2 LEU 13 -6.197 5.713 -7.451 88 HD23 LEU 13 2HD2 LEU 13 -5.261 4.219 -7.528 89 H TYR 14 H TYR 14 -5.915 7.011 -2.849 90 HA TYR 14 HA TYR 14 -4.275 9.123 -2.111 91 HD1 TYR 14 HD2 TYR 14 -6.687 8.461 1.273 92 HD2 TYR 14 HD1 TYR 14 -5.780 11.717 -1.380 93 HE1 TYR 14 HE2 TYR 14 -6.619 10.015 3.207 94 HE2 TYR 14 HE1 TYR 14 -5.713 13.273 0.553 95 HH TYR 14 HH TYR 14 -6.433 13.469 2.782 96 HB2 TYR 14 2HB TYR 14 -6.580 9.586 -2.235 97 HB3 TYR 14 1HB TYR 14 -6.992 8.254 -1.160 98 H GLN 15 H GLN 15 -5.721 6.831 0.195 99 HA GLN 15 HA GLN 15 -3.899 7.594 2.324 100 HB2 GLN 15 2HB GLN 15 -6.020 5.542 1.937 101 HB3 GLN 15 1HB GLN 15 -4.782 5.177 3.135 102 HG2 GLN 15 2HG GLN 15 -5.688 6.626 4.600 103 HG3 GLN 15 1HG GLN 15 -5.643 7.925 3.407 104 HE21 GLN 15 1HE2 GLN 15 -7.735 5.780 5.104 105 HE22 GLN 15 2HE2 GLN 15 -9.155 6.123 4.240 106 H LEU 16 H LEU 16 -4.148 4.999 -0.012 107 HA LEU 16 HA LEU 16 -2.135 3.235 0.694 108 HG LEU 16 HG LEU 16 -2.243 1.802 -2.580 109 HB2 LEU 16 2HB LEU 16 -3.639 3.526 -1.502 110 HB3 LEU 16 1HB LEU 16 -2.139 4.213 -2.125 111 HD11 LEU 16 1HD1 LEU 16 -0.247 2.321 -0.372 112 HD12 LEU 16 2HD1 LEU 16 -0.081 3.011 -1.987 113 HD13 LEU 16 3HD1 LEU 16 -0.061 1.262 -1.767 114 HD21 LEU 16 3HD2 LEU 16 -3.636 1.509 -0.368 115 HD22 LEU 16 1HD2 LEU 16 -2.049 1.279 0.366 116 HD23 LEU 16 2HD2 LEU 16 -2.589 0.204 -0.924 117 H GLU 17 H GLU 17 -1.819 6.448 -0.709 118 HA GLU 17 HA GLU 17 1.048 6.264 -1.102 119 HB2 GLU 17 2HB GLU 17 -0.244 7.773 -2.480 120 HB3 GLU 17 1HB GLU 17 -0.861 8.612 -1.059 121 HG2 GLU 17 2HG GLU 17 1.588 9.135 -0.496 122 HG3 GLU 17 1HG GLU 17 1.967 8.593 -2.131 123 H ASN 18 H ASN 18 -0.952 6.937 1.617 124 HA ASN 18 HA ASN 18 1.048 8.526 3.027 125 HB2 ASN 18 2HB ASN 18 -1.407 8.702 3.497 126 HB3 ASN 18 1HB ASN 18 -1.355 7.071 4.168 127 HD21 ASN 18 1HD2 ASN 18 0.102 10.331 4.587 128 HD22 ASN 18 2HD2 ASN 18 0.408 10.148 6.247 129 H TYR 19 H TYR 19 0.631 5.211 2.385 130 HA TYR 19 HA TYR 19 2.170 4.419 4.796 131 HD1 TYR 19 HD2 TYR 19 0.296 2.825 6.165 132 HD2 TYR 19 HD1 TYR 19 -0.999 3.415 2.117 133 HE1 TYR 19 HE2 TYR 19 -2.034 3.110 6.956 134 HE2 TYR 19 HE1 TYR 19 -3.332 3.702 2.899 135 HH TYR 19 HH TYR 19 -4.306 2.927 6.094 136 HB2 TYR 19 2HB TYR 19 1.196 2.621 2.567 137 HB3 TYR 19 1HB TYR 19 1.690 2.152 4.192 138 H CYS 20 H CYS 20 2.928 5.765 1.924 139 HA CYS 20 HA CYS 20 5.014 3.901 1.090 140 HB2 CYS 20 2HB CYS 20 5.472 5.366 -0.645 141 HB3 CYS 20 1HB CYS 20 3.815 5.743 -0.364 142 H ASN 21 H ASN 21 7.257 5.363 0.756 143 HA ASN 21 HA ASN 21 8.502 5.302 3.306 144 HB2 ASN 21 2HB ASN 21 9.857 5.239 1.292 145 HB3 ASN 21 1HB ASN 21 9.294 6.838 0.814 146 HD21 ASN 21 1HD2 ASN 21 11.747 7.304 0.883 147 HD22 ASN 21 2HD2 ASN 21 12.413 7.755 2.377 148 HA PHE 1 HA PHE 1 -8.385 5.158 -9.192 149 HD1 PHE 1 HD1 PHE 1 -7.128 6.773 -9.089 150 HD2 PHE 1 HD2 PHE 1 -10.494 8.856 -10.764 151 HE1 PHE 1 HE1 PHE 1 -6.362 8.874 -8.016 152 HE2 PHE 1 HE2 PHE 1 -9.728 10.956 -9.691 153 HZ PHE 1 HZ PHE 1 -7.664 10.966 -8.317 154 H1 PHE 1 1H PHE 1 -6.368 5.180 -10.115 155 H2 PHE 1 2H PHE 1 -6.964 6.427 -11.103 156 H3 PHE 1 3H PHE 1 -6.954 4.825 -11.666 157 HB2 PHE 1 2HB PHE 1 -9.319 6.527 -11.732 158 HB3 PHE 1 1HB PHE 1 -10.355 6.197 -10.346 159 H VAL 2 H VAL 2 -7.866 2.796 -9.699 160 HA VAL 2 HA VAL 2 -10.135 1.667 -11.223 161 HB VAL 2 HB VAL 2 -7.356 0.605 -11.684 162 HG11 VAL 2 1HG1 VAL 2 -9.950 -0.281 -12.265 163 HG12 VAL 2 2HG1 VAL 2 -8.450 -0.902 -12.954 164 HG13 VAL 2 3HG1 VAL 2 -9.345 0.369 -13.788 165 HG21 VAL 2 3HG2 VAL 2 -7.455 2.986 -12.379 166 HG22 VAL 2 1HG2 VAL 2 -8.884 2.630 -13.349 167 HG23 VAL 2 2HG2 VAL 2 -7.330 1.908 -13.770 168 H ASN 3 H ASN 3 -9.579 1.843 -8.497 169 HA ASN 3 HA ASN 3 -9.595 0.518 -6.548 170 HB2 ASN 3 2HB ASN 3 -10.428 -1.451 -8.679 171 HB3 ASN 3 1HB ASN 3 -10.296 -1.922 -6.984 172 HD21 ASN 3 1HD2 ASN 3 -11.273 0.338 -5.666 173 HD22 ASN 3 2HD2 ASN 3 -12.892 0.607 -6.099 174 H GLN 4 H GLN 4 -7.695 0.067 -5.537 175 HA GLN 4 HA GLN 4 -5.659 -1.487 -7.037 176 HB2 GLN 4 2HB GLN 4 -5.277 0.915 -6.093 177 HB3 GLN 4 1HB GLN 4 -5.162 0.113 -4.529 178 HG2 GLN 4 2HG GLN 4 -2.946 0.419 -5.600 179 HG3 GLN 4 1HG GLN 4 -3.336 -1.281 -5.338 180 HE21 GLN 4 1HE2 GLN 4 -2.450 -2.367 -7.127 181 HE22 GLN 4 2HE2 GLN 4 -2.702 -1.920 -8.745 182 H HIS 5 H HIS 5 -5.587 -3.606 -6.433 183 HA HIS 5 HA HIS 5 -6.482 -4.410 -3.731 184 HD2 HIS 5 HD2 HIS 5 -7.064 -4.428 -7.726 185 HE1 HIS 5 HE1 HIS 5 -10.630 -6.209 -6.314 186 HE2 HIS 5 HE2 HIS 5 -9.615 -4.739 -8.136 187 HB2 HIS 5 2HB HIS 5 -5.385 -6.146 -5.966 188 HB3 HIS 5 1HB HIS 5 -6.270 -6.689 -4.544 189 H LEU 6 H LEU 6 -5.019 -4.721 -2.077 190 HA LEU 6 HA LEU 6 -2.142 -4.946 -2.851 191 HG LEU 6 HG LEU 6 -2.418 -1.858 -2.378 192 HB2 LEU 6 2HB LEU 6 -3.545 -3.223 -0.890 193 HB3 LEU 6 1HB LEU 6 -2.083 -3.973 -0.290 194 HD11 LEU 6 1HD1 LEU 6 0.122 -2.131 -0.977 195 HD12 LEU 6 2HD1 LEU 6 -1.250 -2.106 0.133 196 HD13 LEU 6 3HD1 LEU 6 -1.007 -0.779 -1.003 197 HD21 LEU 6 3HD2 LEU 6 -0.555 -4.199 -2.637 198 HD22 LEU 6 1HD2 LEU 6 0.081 -2.603 -3.008 199 HD23 LEU 6 2HD2 LEU 6 -1.306 -3.224 -3.898 200 H CYS 7 H CYS 7 -0.943 -6.542 -1.926 201 HA CYS 7 HA CYS 7 -1.596 -7.816 0.539 202 HB2 CYS 7 2HB CYS 7 -3.471 -8.544 -1.165 203 HB3 CYS 7 1HB CYS 7 -2.231 -9.640 -1.767 204 H GLY 8 H GLY 8 0.354 -8.552 1.151 205 HA2 GLY 8 2HA GLY 8 2.584 -9.289 1.008 206 HA3 GLY 8 1HA GLY 8 1.918 -10.478 -0.109 207 H SER 9 H SER 9 3.152 -10.512 -1.894 208 HA SER 9 HA SER 9 5.014 -8.725 -2.824 209 HG SER 9 HG SER 9 5.971 -9.675 -4.491 210 HB2 SER 9 2HB SER 9 4.146 -11.002 -3.825 211 HB3 SER 9 1HB SER 9 3.166 -9.952 -4.846 212 H ASP 10 H ASP 10 1.564 -8.654 -3.797 213 HA ASP 10 HA ASP 10 1.785 -6.271 -5.349 214 HB2 ASP 10 2HB ASP 10 -0.615 -7.365 -3.850 215 HB3 ASP 10 1HB ASP 10 -0.665 -6.169 -5.141 216 H LEU 11 H LEU 11 1.302 -6.814 -1.909 217 HA LEU 11 HA LEU 11 0.400 -4.281 -1.086 218 HG LEU 11 HG LEU 11 2.396 -4.176 1.698 219 HB2 LEU 11 2HB LEU 11 0.694 -6.260 0.402 220 HB3 LEU 11 1HB LEU 11 2.438 -6.033 0.323 221 HD11 LEU 11 1HD1 LEU 11 -0.316 -3.666 0.495 222 HD12 LEU 11 2HD1 LEU 11 1.116 -2.635 0.474 223 HD13 LEU 11 3HD1 LEU 11 0.192 -2.831 1.963 224 HD21 LEU 11 3HD2 LEU 11 1.373 -6.064 2.926 225 HD22 LEU 11 1HD2 LEU 11 -0.223 -5.524 2.406 226 HD23 LEU 11 2HD2 LEU 11 0.742 -4.512 3.480 227 H VAL 12 H VAL 12 3.805 -5.321 -1.530 228 HA VAL 12 HA VAL 12 4.828 -2.683 -0.931 229 HB VAL 12 HB VAL 12 6.910 -3.622 -2.158 230 HG11 VAL 12 1HG1 VAL 12 5.654 -4.457 0.394 231 HG12 VAL 12 2HG1 VAL 12 7.243 -3.751 0.098 232 HG13 VAL 12 3HG1 VAL 12 6.980 -5.474 -0.171 233 HG21 VAL 12 3HG2 VAL 12 5.401 -6.216 -1.815 234 HG22 VAL 12 1HG2 VAL 12 6.929 -5.945 -2.651 235 HG23 VAL 12 2HG2 VAL 12 5.427 -5.346 -3.349 236 H GLU 13 H GLU 13 3.585 -4.237 -3.799 237 HA GLU 13 HA GLU 13 4.736 -2.589 -5.799 238 HB2 GLU 13 2HB GLU 13 3.287 -4.648 -6.146 239 HB3 GLU 13 1HB GLU 13 1.890 -3.626 -5.804 240 HG2 GLU 13 2HG GLU 13 1.937 -3.285 -8.060 241 HG3 GLU 13 1HG GLU 13 3.158 -2.084 -7.633 242 H ALA 14 H ALA 14 1.548 -2.206 -4.197 243 HA ALA 14 HA ALA 14 0.965 0.370 -5.227 244 HB1 ALA 14 3HB ALA 14 0.254 -0.647 -2.465 245 HB2 ALA 14 1HB ALA 14 -0.607 -1.119 -3.928 246 HB3 ALA 14 2HB ALA 14 -0.617 0.564 -3.405 247 H LEU 15 H LEU 15 2.483 -0.522 -2.127 248 HA LEU 15 HA LEU 15 3.105 2.101 -1.257 249 HG LEU 15 HG LEU 15 2.511 -0.820 0.321 250 HB2 LEU 15 2HB LEU 15 4.526 -0.516 -0.754 251 HB3 LEU 15 1HB LEU 15 4.881 0.979 0.104 252 HD11 LEU 15 1HD1 LEU 15 4.328 0.796 2.070 253 HD12 LEU 15 2HD1 LEU 15 3.928 -0.920 2.157 254 HD13 LEU 15 3HD1 LEU 15 2.757 0.287 2.689 255 HD21 LEU 15 3HD2 LEU 15 1.518 1.336 -0.479 256 HD22 LEU 15 1HD2 LEU 15 2.340 2.175 0.837 257 HD23 LEU 15 2HD2 LEU 15 1.089 0.985 1.195 258 H TYR 16 H TYR 16 4.642 -0.008 -3.572 259 HA TYR 16 HA TYR 16 7.192 1.314 -3.700 260 HD1 TYR 16 HD2 TYR 16 9.043 1.069 -5.496 261 HD2 TYR 16 HD1 TYR 16 7.124 -2.566 -4.241 262 HE1 TYR 16 HE2 TYR 16 11.259 0.075 -4.989 263 HE2 TYR 16 HE1 TYR 16 9.341 -3.560 -3.733 264 HH TYR 16 HH TYR 16 11.566 -3.310 -3.977 265 HB2 TYR 16 2HB TYR 16 5.822 -0.823 -5.077 266 HB3 TYR 16 1HB TYR 16 6.582 0.248 -6.251 267 H LEU 17 H LEU 17 4.547 1.394 -6.107 268 HA LEU 17 HA LEU 17 5.533 3.592 -7.562 269 HG LEU 17 HG LEU 17 2.853 1.969 -6.032 270 HB2 LEU 17 2HB LEU 17 3.012 4.004 -8.100 271 HB3 LEU 17 1HB LEU 17 3.777 2.516 -8.643 272 HD11 LEU 17 1HD1 LEU 17 1.050 3.798 -7.558 273 HD12 LEU 17 2HD1 LEU 17 1.280 3.645 -5.816 274 HD13 LEU 17 3HD1 LEU 17 0.317 2.452 -6.687 275 HD21 LEU 17 3HD2 LEU 17 1.739 1.295 -8.777 276 HD22 LEU 17 1HD2 LEU 17 1.249 0.489 -7.287 277 HD23 LEU 17 2HD2 LEU 17 2.912 0.352 -7.857 278 H VAL 18 H VAL 18 3.214 3.687 -4.816 279 HA VAL 18 HA VAL 18 2.731 6.426 -4.776 280 HB VAL 18 HB VAL 18 2.801 6.152 -2.180 281 HG11 VAL 18 1HG1 VAL 18 0.693 4.681 -2.372 282 HG12 VAL 18 2HG1 VAL 18 1.006 4.677 -4.108 283 HG13 VAL 18 3HG1 VAL 18 0.695 6.198 -3.272 284 HG21 VAL 18 3HG2 VAL 18 3.911 3.674 -3.096 285 HG22 VAL 18 1HG2 VAL 18 2.370 3.357 -2.308 286 HG23 VAL 18 2HG2 VAL 18 3.648 4.209 -1.439 287 H CYS 19 H CYS 19 5.184 5.200 -2.459 288 HA CYS 19 HA CYS 19 6.538 7.758 -2.730 289 HB2 CYS 19 2HB CYS 19 7.001 5.396 -1.049 290 HB3 CYS 19 1HB CYS 19 8.467 6.194 -1.580 291 H GLY 20 H GLY 20 7.608 4.429 -3.433 292 HA2 GLY 20 2HA GLY 20 8.432 4.115 -5.845 293 HA3 GLY 20 1HA GLY 20 9.412 5.551 -5.536 294 H GLU 21 H GLU 21 11.192 3.923 -6.076 295 HA GLU 21 HA GLU 21 11.804 1.759 -4.306 296 HB2 GLU 21 2HB GLU 21 13.971 1.738 -5.321 297 HB3 GLU 21 1HB GLU 21 12.848 2.232 -6.589 298 HG2 GLU 21 2HG GLU 21 13.644 4.593 -5.217 299 HG3 GLU 21 1HG GLU 21 15.110 3.668 -5.545 300 H ARG 22 H ARG 22 11.873 5.121 -3.805 301 HA ARG 22 HA ARG 22 14.095 5.500 -2.117 302 HE ARG 22 HE ARG 22 11.678 9.510 -0.269 303 HB2 ARG 22 2HB ARG 22 11.518 6.829 -2.566 304 HB3 ARG 22 1HB ARG 22 12.131 7.028 -0.924 305 HG2 ARG 22 2HG ARG 22 14.404 7.417 -2.416 306 HG3 ARG 22 1HG ARG 22 13.165 8.121 -3.458 307 HD2 ARG 22 2HD ARG 22 13.914 8.890 -0.641 308 HD3 ARG 22 1HD ARG 22 13.791 9.918 -2.068 309 HH11 ARG 22 1HH2 ARG 22 12.332 10.194 -3.510 310 HH12 ARG 22 2HH2 ARG 22 10.698 10.007 -4.052 311 HH21 ARG 22 1HH1 ARG 22 9.543 8.809 -1.012 312 HH22 ARG 22 2HH1 ARG 22 9.121 9.222 -2.640 313 H GLY 23 H GLY 23 11.213 3.673 -1.568 314 HA2 GLY 23 2HA GLY 23 11.737 2.015 0.382 315 HA3 GLY 23 1HA GLY 23 11.844 3.491 1.340 316 H PHE 24 H PHE 24 10.004 1.781 2.224 317 HA PHE 24 HA PHE 24 7.503 3.226 1.811 318 HD1 PHE 24 HD1 PHE 24 8.608 -0.401 2.541 319 HD2 PHE 24 HD2 PHE 24 8.065 0.595 -1.604 320 HE1 PHE 24 HE1 PHE 24 10.214 -2.182 1.902 321 HE2 PHE 24 HE2 PHE 24 9.667 -1.185 -2.240 322 HZ PHE 24 HZ PHE 24 10.744 -2.574 -0.489 323 HB2 PHE 24 2HB PHE 24 6.382 0.851 1.344 324 HB3 PHE 24 1HB PHE 24 6.975 1.855 0.021 325 H PHE 25 H PHE 25 5.714 1.598 3.057 326 HA PHE 25 HA PHE 25 7.071 1.062 5.662 327 HD1 PHE 25 HD2 PHE 25 6.041 -0.024 7.468 328 HD2 PHE 25 HD1 PHE 25 4.607 4.021 7.202 329 HE1 PHE 25 HE2 PHE 25 6.467 0.287 9.890 330 HE2 PHE 25 HE1 PHE 25 5.035 4.329 9.624 331 HZ PHE 25 HZ PHE 25 5.963 2.463 10.969 332 HB2 PHE 25 2HB PHE 25 4.998 2.755 5.212 333 HB3 PHE 25 1HB PHE 25 4.105 1.274 5.555 334 H TYR 26 H TYR 26 3.980 -0.085 4.258 335 HA TYR 26 HA TYR 26 3.106 -2.262 4.152 336 HD1 TYR 26 HD1 TYR 26 2.815 -4.266 4.474 337 HD2 TYR 26 HD2 TYR 26 6.678 -5.030 2.744 338 HE1 TYR 26 HE1 TYR 26 2.390 -6.702 4.601 339 HE2 TYR 26 HE2 TYR 26 6.247 -7.466 2.871 340 HH TYR 26 HH TYR 26 3.211 -8.775 3.393 341 HB2 TYR 26 2HB TYR 26 4.861 -2.653 2.526 342 HB3 TYR 26 1HB TYR 26 6.066 -2.802 3.795 343 H THR 27 H THR 27 3.238 -1.244 6.691 344 HA THR 27 HA THR 27 4.643 -3.150 8.443 345 HB THR 27 HB THR 27 4.435 -0.716 9.003 346 HG1 THR 27 HG1 THR 27 3.495 -1.206 11.173 347 HG21 THR 27 3HG2 THR 27 2.423 0.337 9.213 348 HG22 THR 27 1HG2 THR 27 1.640 -1.084 9.904 349 HG23 THR 27 2HG2 THR 27 1.863 -0.961 8.158 350 H LYS 28 H LYS 28 3.715 -4.995 9.189 351 HA LYS 28 HA LYS 28 0.940 -5.595 8.502 352 HB2 LYS 28 2HB LYS 28 3.170 -7.163 8.891 353 HB3 LYS 28 1HB LYS 28 2.267 -7.426 10.384 354 HG2 LYS 28 2HG LYS 28 0.539 -8.475 9.318 355 HG3 LYS 28 1HG LYS 28 0.678 -7.467 7.878 356 HD2 LYS 28 2HD LYS 28 1.588 -9.326 6.935 357 HD3 LYS 28 1HD LYS 28 3.046 -8.837 7.800 358 HE2 LYS 28 2HE LYS 28 1.873 -10.167 9.791 359 HE3 LYS 28 1HE LYS 28 1.093 -11.004 8.449 360 HZ1 LYS 28 3HZ LYS 28 4.018 -10.672 8.834 361 HZ2 LYS 28 1HZ LYS 28 3.286 -11.442 7.512 362 HZ3 LYS 28 2HZ LYS 28 3.136 -12.105 9.070 363 HA PRO 29 HA PRO 29 0.457 -5.411 13.238 364 HB2 PRO 29 2HB PRO 29 2.534 -4.354 14.695 365 HB3 PRO 29 1HB PRO 29 2.358 -6.082 14.343 366 HG2 PRO 29 2HG PRO 29 4.239 -4.107 13.149 367 HG3 PRO 29 1HG PRO 29 4.405 -5.864 13.302 368 HD2 PRO 29 2HD PRO 29 3.677 -4.454 10.960 369 HD3 PRO 29 1HD PRO 29 3.552 -6.206 11.206 370 H THR 30 H THR 30 0.726 -3.363 15.033 371 HA THR 30 HA THR 30 -0.391 -1.097 13.569 372 HB THR 30 HB THR 30 0.382 -0.977 16.470 373 HG1 THR 30 HG1 THR 30 -1.296 -2.252 17.004 374 HG21 THR 30 3HG2 THR 30 -1.582 0.269 14.618 375 HG22 THR 30 1HG2 THR 30 -0.698 0.982 15.967 376 HG23 THR 30 2HG2 THR 30 -2.122 -0.013 16.274 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -3.474 0.832 11.840 2 H2 GLY 1 2H GLY 1 -2.545 1.456 10.562 3 H3 GLY 1 3H GLY 1 -1.801 0.548 11.790 4 HA2 GLY 1 1HA GLY 1 -2.099 -0.901 9.950 5 HA3 GLY 1 2HA GLY 1 -3.288 -1.426 11.173 6 H ILE 2 H ILE 2 -1.875 -1.268 8.153 7 HA ILE 2 HA ILE 2 -4.223 -0.205 6.657 8 HB ILE 2 HB ILE 2 -1.795 0.585 6.227 9 HG12 ILE 2 2HG1 ILE 2 -3.634 -0.422 4.038 10 HG13 ILE 2 1HG1 ILE 2 -3.604 1.194 4.743 11 HG21 ILE 2 1HG2 ILE 2 -0.558 -0.825 4.608 12 HG22 ILE 2 2HG2 ILE 2 -1.773 -2.088 4.801 13 HG23 ILE 2 3HG2 ILE 2 -0.751 -1.631 6.165 14 HD11 ILE 2 3HD1 ILE 2 -0.993 0.862 3.902 15 HD12 ILE 2 1HD1 ILE 2 -2.242 1.732 3.011 16 HD13 ILE 2 2HD1 ILE 2 -1.910 0.041 2.638 17 H THR 3 H THR 3 -2.633 -3.112 7.547 18 HA THR 3 HA THR 3 -3.440 -4.727 5.292 19 HB THR 3 HB THR 3 -2.629 -5.385 8.132 20 HG1 THR 3 HG1 THR 3 -0.948 -4.783 6.830 21 HG21 THR 3 3HG2 THR 3 -2.505 -7.772 7.246 22 HG22 THR 3 1HG2 THR 3 -3.500 -7.225 5.896 23 HG23 THR 3 2HG2 THR 3 -4.129 -7.152 7.542 24 H GLU 4 H GLU 4 -5.037 -3.523 8.114 25 HA GLU 4 HA GLU 4 -7.284 -5.429 7.828 26 HB2 GLU 4 2HB GLU 4 -6.694 -3.192 9.783 27 HB3 GLU 4 1HB GLU 4 -8.230 -4.059 9.763 28 HG2 GLU 4 2HG GLU 4 -6.992 -5.284 11.330 29 HG3 GLU 4 1HG GLU 4 -6.733 -6.201 9.846 30 H GLN 5 H GLN 5 -6.834 -3.820 5.577 31 HA GLN 5 HA GLN 5 -9.435 -2.687 5.171 32 HB2 GLN 5 2HB GLN 5 -7.920 -0.952 6.621 33 HB3 GLN 5 1HB GLN 5 -7.461 -0.477 4.984 34 HG2 GLN 5 2HG GLN 5 -9.364 0.737 4.940 35 HG3 GLN 5 1HG GLN 5 -10.222 -0.801 4.828 36 HE21 GLN 5 1HE2 GLN 5 -10.954 1.775 6.304 37 HE22 GLN 5 2HE2 GLN 5 -11.239 1.280 7.902 38 H CYS 6 H CYS 6 -6.005 -2.463 4.208 39 HA CYS 6 HA CYS 6 -6.701 -2.072 1.405 40 HB2 CYS 6 2HB CYS 6 -4.237 -2.178 3.005 41 HB3 CYS 6 1HB CYS 6 -4.073 -2.873 1.392 42 H CYS 7 H CYS 7 -6.451 -4.733 3.490 43 HA CYS 7 HA CYS 7 -6.281 -6.558 1.135 44 HB2 CYS 7 2HB CYS 7 -4.458 -6.792 2.830 45 HB3 CYS 7 1HB CYS 7 -5.675 -7.190 4.028 46 H THR 8 H THR 8 -8.108 -5.656 4.003 47 HA THR 8 HA THR 8 -10.007 -7.867 3.749 48 HB THR 8 HB THR 8 -11.203 -5.628 5.064 49 HG1 THR 8 HG1 THR 8 -9.512 -4.625 5.761 50 HG21 THR 8 3HG2 THR 8 -11.769 -7.672 5.961 51 HG22 THR 8 1HG2 THR 8 -10.492 -7.219 7.089 52 HG23 THR 8 2HG2 THR 8 -10.145 -8.328 5.763 53 H SER 9 H SER 9 -9.513 -4.709 2.467 54 HA SER 9 HA SER 9 -11.722 -5.080 0.541 55 HG SER 9 HG SER 9 -13.928 -2.954 1.701 56 HB2 SER 9 2HB SER 9 -11.709 -3.100 2.719 57 HB3 SER 9 1HB SER 9 -11.914 -2.377 1.126 58 H ILE 10 H ILE 10 -11.371 -3.474 -1.317 59 HA ILE 10 HA ILE 10 -8.493 -3.274 -1.785 60 HB ILE 10 HB ILE 10 -8.966 -2.808 -4.020 61 HG12 ILE 10 2HG1 ILE 10 -11.296 -1.953 -4.728 62 HG13 ILE 10 1HG1 ILE 10 -11.525 -1.548 -3.025 63 HG21 ILE 10 1HG2 ILE 10 -11.081 -4.509 -2.782 64 HG22 ILE 10 2HG2 ILE 10 -9.814 -4.939 -3.927 65 HG23 ILE 10 3HG2 ILE 10 -11.249 -4.080 -4.483 66 HD11 ILE 10 3HD1 ILE 10 -10.251 0.276 -3.241 67 HD12 ILE 10 1HD1 ILE 10 -10.159 -0.043 -4.974 68 HD13 ILE 10 2HD1 ILE 10 -8.924 -0.687 -3.891 69 H CYS 11 H CYS 11 -7.374 -1.240 -2.249 70 HA CYS 11 HA CYS 11 -8.737 1.093 -0.950 71 HB2 CYS 11 2HB CYS 11 -6.054 1.658 -0.684 72 HB3 CYS 11 1HB CYS 11 -7.074 0.984 0.581 73 H SER 12 H SER 12 -6.850 3.054 -1.563 74 HA SER 12 HA SER 12 -6.959 3.094 -4.554 75 HG SER 12 HG SER 12 -7.455 6.470 -2.396 76 HB2 SER 12 2HB SER 12 -7.267 5.533 -4.369 77 HB3 SER 12 1HB SER 12 -8.557 4.661 -3.546 78 H LEU 13 H LEU 13 -5.071 3.312 -5.559 79 HA LEU 13 HA LEU 13 -2.529 3.325 -4.427 80 HG LEU 13 HG LEU 13 -0.812 3.752 -6.803 81 HB2 LEU 13 2HB LEU 13 -2.990 2.872 -6.749 82 HB3 LEU 13 1HB LEU 13 -3.742 4.437 -6.965 83 HD11 LEU 13 1HD1 LEU 13 -2.141 3.732 -8.901 84 HD12 LEU 13 2HD1 LEU 13 -0.870 4.956 -8.918 85 HD13 LEU 13 3HD1 LEU 13 -2.546 5.425 -8.626 86 HD21 LEU 13 3HD2 LEU 13 -2.114 6.460 -6.352 87 HD22 LEU 13 1HD2 LEU 13 -0.485 6.301 -7.004 88 HD23 LEU 13 2HD2 LEU 13 -0.846 5.697 -5.390 89 H TYR 14 H TYR 14 -4.561 6.008 -5.493 90 HA TYR 14 HA TYR 14 -3.016 8.226 -5.102 91 HD1 TYR 14 HD2 TYR 14 -3.788 10.161 -3.124 92 HD2 TYR 14 HD1 TYR 14 -6.078 9.883 -6.749 93 HE1 TYR 14 HE2 TYR 14 -3.533 12.605 -3.474 94 HE2 TYR 14 HE1 TYR 14 -5.824 12.325 -7.099 95 HH TYR 14 HH TYR 14 -4.801 14.183 -6.402 96 HB2 TYR 14 2HB TYR 14 -5.575 7.944 -5.583 97 HB3 TYR 14 1HB TYR 14 -5.728 8.193 -3.852 98 H GLN 15 H GLN 15 -4.982 6.935 -2.436 99 HA GLN 15 HA GLN 15 -3.439 8.374 -0.452 100 HB2 GLN 15 2HB GLN 15 -4.867 7.392 1.146 101 HB3 GLN 15 1HB GLN 15 -5.867 7.575 -0.288 102 HG2 GLN 15 2HG GLN 15 -5.424 5.219 -0.895 103 HG3 GLN 15 1HG GLN 15 -4.457 5.037 0.568 104 HE21 GLN 15 1HE2 GLN 15 -7.502 6.898 0.332 105 HE22 GLN 15 2HE2 GLN 15 -8.378 5.903 1.392 106 H LEU 16 H LEU 16 -3.658 5.017 -1.465 107 HA LEU 16 HA LEU 16 -1.932 3.696 0.241 108 HG LEU 16 HG LEU 16 -1.838 1.721 -0.149 109 HB2 LEU 16 2HB LEU 16 -3.065 3.158 -2.210 110 HB3 LEU 16 1HB LEU 16 -1.353 3.203 -2.617 111 HD11 LEU 16 1HD1 LEU 16 -3.952 1.381 -1.734 112 HD12 LEU 16 2HD1 LEU 16 -3.236 0.030 -0.856 113 HD13 LEU 16 3HD1 LEU 16 -2.848 0.280 -2.558 114 HD21 LEU 16 3HD2 LEU 16 -0.811 0.504 -2.677 115 HD22 LEU 16 1HD2 LEU 16 -0.201 0.338 -1.033 116 HD23 LEU 16 2HD2 LEU 16 0.125 1.807 -1.955 117 H GLU 17 H GLU 17 -1.182 6.166 -2.105 118 HA GLU 17 HA GLU 17 1.683 5.690 -2.166 119 HB2 GLU 17 2HB GLU 17 0.804 6.829 -4.040 120 HB3 GLU 17 1HB GLU 17 -0.094 7.965 -3.036 121 HG2 GLU 17 2HG GLU 17 1.970 9.022 -2.297 122 HG3 GLU 17 1HG GLU 17 2.933 7.812 -3.146 123 H ASN 18 H ASN 18 -0.437 7.490 -0.072 124 HA ASN 18 HA ASN 18 1.506 9.291 1.018 125 HB2 ASN 18 2HB ASN 18 -1.240 8.619 1.511 126 HB3 ASN 18 1HB ASN 18 -0.372 8.670 3.044 127 HD21 ASN 18 1HD2 ASN 18 -2.330 10.678 2.118 128 HD22 ASN 18 2HD2 ASN 18 -1.493 12.150 2.006 129 H TYR 19 H TYR 19 1.374 5.915 1.283 130 HA TYR 19 HA TYR 19 2.541 5.989 4.012 131 HD1 TYR 19 HD2 TYR 19 1.429 4.292 5.899 132 HD2 TYR 19 HD1 TYR 19 -0.571 4.370 2.098 133 HE1 TYR 19 HE2 TYR 19 -0.742 4.617 7.045 134 HE2 TYR 19 HE1 TYR 19 -2.741 4.699 3.240 135 HH TYR 19 HH TYR 19 -3.099 4.314 6.646 136 HB2 TYR 19 2HB TYR 19 1.715 3.672 2.246 137 HB3 TYR 19 1HB TYR 19 2.517 3.477 3.807 138 H CYS 20 H CYS 20 4.023 7.125 1.761 139 HA CYS 20 HA CYS 20 6.230 5.150 1.474 140 HB2 CYS 20 2HB CYS 20 5.209 6.722 -0.429 141 HB3 CYS 20 1HB CYS 20 6.426 7.822 0.176 142 H ASN 21 H ASN 21 8.424 6.557 1.326 143 HA ASN 21 HA ASN 21 8.870 7.459 4.073 144 HB2 ASN 21 2HB ASN 21 10.517 6.080 2.725 145 HB3 ASN 21 1HB ASN 21 10.818 7.521 1.753 146 HD21 ASN 21 1HD2 ASN 21 11.505 9.530 3.078 147 HD22 ASN 21 2HD2 ASN 21 12.485 9.264 4.438 148 HA PHE 1 HA PHE 1 -9.410 5.098 -11.794 149 HD1 PHE 1 HD1 PHE 1 -9.090 6.938 -11.242 150 HD2 PHE 1 HD2 PHE 1 -5.309 5.061 -10.430 151 HE1 PHE 1 HE1 PHE 1 -7.909 8.938 -12.112 152 HE2 PHE 1 HE2 PHE 1 -4.129 7.061 -11.301 153 HZ PHE 1 HZ PHE 1 -5.429 9.001 -12.142 154 H1 PHE 1 1H PHE 1 -10.365 6.209 -10.031 155 H2 PHE 1 2H PHE 1 -10.122 4.928 -8.941 156 H3 PHE 1 3H PHE 1 -11.329 4.816 -10.132 157 HB2 PHE 1 2HB PHE 1 -8.071 4.716 -9.173 158 HB3 PHE 1 1HB PHE 1 -7.434 3.761 -10.511 159 H VAL 2 H VAL 2 -8.815 2.512 -9.449 160 HA VAL 2 HA VAL 2 -10.605 0.668 -10.906 161 HB VAL 2 HB VAL 2 -8.619 -0.957 -11.146 162 HG11 VAL 2 1HG1 VAL 2 -8.181 -0.182 -13.340 163 HG12 VAL 2 2HG1 VAL 2 -8.371 1.508 -12.871 164 HG13 VAL 2 3HG1 VAL 2 -9.784 0.457 -12.974 165 HG21 VAL 2 3HG2 VAL 2 -7.025 1.613 -11.083 166 HG22 VAL 2 1HG2 VAL 2 -6.415 -0.040 -11.154 167 HG23 VAL 2 2HG2 VAL 2 -7.163 0.562 -9.674 168 H ASN 3 H ASN 3 -10.994 -1.289 -9.683 169 HA ASN 3 HA ASN 3 -10.458 -0.940 -6.802 170 HB2 ASN 3 2HB ASN 3 -12.006 -3.214 -8.040 171 HB3 ASN 3 1HB ASN 3 -12.184 -2.512 -6.432 172 HD21 ASN 3 1HD2 ASN 3 -14.164 -2.763 -8.790 173 HD22 ASN 3 2HD2 ASN 3 -14.751 -1.185 -8.998 174 H GLN 4 H GLN 4 -8.450 -1.680 -6.185 175 HA GLN 4 HA GLN 4 -7.742 -4.443 -7.030 176 HB2 GLN 4 2HB GLN 4 -6.101 -3.453 -8.254 177 HB3 GLN 4 1HB GLN 4 -6.249 -1.928 -7.394 178 HG2 GLN 4 2HG GLN 4 -5.039 -4.138 -5.829 179 HG3 GLN 4 1HG GLN 4 -4.095 -3.574 -7.204 180 HE21 GLN 4 1HE2 GLN 4 -3.915 -3.106 -4.110 181 HE22 GLN 4 2HE2 GLN 4 -3.707 -1.425 -3.999 182 H HIS 5 H HIS 5 -7.495 -5.731 -5.363 183 HA HIS 5 HA HIS 5 -7.585 -4.839 -2.616 184 HD2 HIS 5 HD2 HIS 5 -9.149 -5.391 -1.127 185 HE1 HIS 5 HE1 HIS 5 -12.011 -7.987 -2.840 186 HE2 HIS 5 HE2 HIS 5 -11.644 -6.134 -1.124 187 HB2 HIS 5 2HB HIS 5 -7.472 -7.435 -4.073 188 HB3 HIS 5 1HB HIS 5 -6.947 -7.449 -2.392 189 H LEU 6 H LEU 6 -5.935 -5.069 -1.013 190 HA LEU 6 HA LEU 6 -3.152 -5.423 -2.044 191 HG LEU 6 HG LEU 6 -3.343 -2.339 -2.438 192 HB2 LEU 6 2HB LEU 6 -4.400 -3.198 -0.577 193 HB3 LEU 6 1HB LEU 6 -2.914 -3.778 0.140 194 HD11 LEU 6 1HD1 LEU 6 -2.179 -1.690 -0.122 195 HD12 LEU 6 2HD1 LEU 6 -1.611 -1.055 -1.666 196 HD13 LEU 6 3HD1 LEU 6 -0.786 -2.421 -0.919 197 HD21 LEU 6 3HD2 LEU 6 -2.377 -4.185 -3.524 198 HD22 LEU 6 1HD2 LEU 6 -1.476 -4.678 -2.090 199 HD23 LEU 6 2HD2 LEU 6 -0.937 -3.295 -3.032 200 H CYS 7 H CYS 7 -1.868 -6.770 -0.909 201 HA CYS 7 HA CYS 7 -2.461 -7.325 1.915 202 HB2 CYS 7 2HB CYS 7 -2.509 -9.602 -0.102 203 HB3 CYS 7 1HB CYS 7 -2.749 -9.733 1.637 204 H GLY 8 H GLY 8 -0.573 -7.775 2.962 205 HA2 GLY 8 2HA GLY 8 1.832 -7.668 3.074 206 HA3 GLY 8 1HA GLY 8 1.525 -9.343 2.641 207 H SER 9 H SER 9 2.637 -10.052 0.911 208 HA SER 9 HA SER 9 4.483 -8.649 -0.571 209 HG SER 9 HG SER 9 5.004 -9.578 -2.545 210 HB2 SER 9 2HB SER 9 3.724 -11.186 -0.657 211 HB3 SER 9 1HB SER 9 2.806 -10.639 -2.057 212 H ASP 10 H ASP 10 1.058 -9.096 -1.520 213 HA ASP 10 HA ASP 10 1.275 -7.381 -3.834 214 HB2 ASP 10 2HB ASP 10 -1.006 -8.519 -2.231 215 HB3 ASP 10 1HB ASP 10 -1.314 -7.316 -3.480 216 H LEU 11 H LEU 11 0.786 -6.859 -0.450 217 HA LEU 11 HA LEU 11 -0.411 -4.244 -0.564 218 HG LEU 11 HG LEU 11 1.385 -3.345 2.191 219 HB2 LEU 11 2HB LEU 11 -0.447 -5.613 1.468 220 HB3 LEU 11 1HB LEU 11 1.309 -5.591 1.545 221 HD11 LEU 11 1HD1 LEU 11 -1.262 -3.220 0.816 222 HD12 LEU 11 2HD1 LEU 11 0.116 -2.126 0.691 223 HD13 LEU 11 3HD1 LEU 11 -0.937 -2.062 2.104 224 HD21 LEU 11 3HD2 LEU 11 0.263 -3.443 4.178 225 HD22 LEU 11 1HD2 LEU 11 -0.063 -5.094 3.650 226 HD23 LEU 11 2HD2 LEU 11 -1.273 -3.835 3.403 227 H VAL 12 H VAL 12 2.949 -5.376 -0.441 228 HA VAL 12 HA VAL 12 4.017 -2.664 -0.415 229 HB VAL 12 HB VAL 12 6.197 -3.903 -0.924 230 HG11 VAL 12 1HG1 VAL 12 4.484 -4.447 1.501 231 HG12 VAL 12 2HG1 VAL 12 5.809 -3.295 1.334 232 HG13 VAL 12 3HG1 VAL 12 6.148 -5.024 1.400 233 HG21 VAL 12 3HG2 VAL 12 4.929 -5.881 -1.919 234 HG22 VAL 12 1HG2 VAL 12 4.518 -6.329 -0.264 235 HG23 VAL 12 2HG2 VAL 12 6.206 -6.289 -0.773 236 H GLU 13 H GLU 13 3.073 -5.011 -2.810 237 HA GLU 13 HA GLU 13 4.565 -4.031 -5.041 238 HB2 GLU 13 2HB GLU 13 3.249 -6.148 -5.065 239 HB3 GLU 13 1HB GLU 13 1.761 -5.200 -5.028 240 HG2 GLU 13 2HG GLU 13 2.320 -4.156 -7.159 241 HG3 GLU 13 1HG GLU 13 3.883 -4.974 -7.183 242 H ALA 14 H ALA 14 1.224 -3.262 -3.999 243 HA ALA 14 HA ALA 14 0.788 -1.150 -5.852 244 HB1 ALA 14 3HB ALA 14 -0.950 -0.387 -4.287 245 HB2 ALA 14 1HB ALA 14 -0.280 -1.425 -3.029 246 HB3 ALA 14 2HB ALA 14 -1.008 -2.138 -4.469 247 H LEU 15 H LEU 15 1.943 -1.044 -2.486 248 HA LEU 15 HA LEU 15 2.517 1.744 -2.406 249 HG LEU 15 HG LEU 15 1.533 -0.482 -0.430 250 HB2 LEU 15 2HB LEU 15 3.944 -0.543 -1.003 251 HB3 LEU 15 1HB LEU 15 4.099 1.154 -0.578 252 HD11 LEU 15 1HD1 LEU 15 1.880 -0.569 1.866 253 HD12 LEU 15 2HD1 LEU 15 2.997 0.797 1.851 254 HD13 LEU 15 3HD1 LEU 15 3.517 -0.775 1.243 255 HD21 LEU 15 3HD2 LEU 15 1.563 2.169 -0.887 256 HD22 LEU 15 1HD2 LEU 15 1.921 2.217 0.836 257 HD23 LEU 15 2HD2 LEU 15 0.435 1.464 0.271 258 H TYR 16 H TYR 16 4.298 -1.021 -3.671 259 HA TYR 16 HA TYR 16 6.837 0.187 -3.988 260 HD1 TYR 16 HD2 TYR 16 8.861 -0.618 -4.943 261 HD2 TYR 16 HD1 TYR 16 6.265 -3.792 -3.654 262 HE1 TYR 16 HE2 TYR 16 10.727 -1.617 -3.649 263 HE2 TYR 16 HE1 TYR 16 8.132 -4.791 -2.360 264 HH TYR 16 HH TYR 16 11.315 -3.990 -2.808 265 HB2 TYR 16 2HB TYR 16 5.428 -2.140 -5.079 266 HB3 TYR 16 1HB TYR 16 6.593 -1.445 -6.207 267 H LEU 17 H LEU 17 4.516 -0.281 -6.687 268 HA LEU 17 HA LEU 17 5.717 1.437 -8.503 269 HG LEU 17 HG LEU 17 2.862 0.415 -6.811 270 HB2 LEU 17 2HB LEU 17 3.239 2.010 -9.208 271 HB3 LEU 17 1HB LEU 17 3.886 0.391 -9.445 272 HD11 LEU 17 1HD1 LEU 17 1.596 2.431 -7.286 273 HD12 LEU 17 2HD1 LEU 17 0.486 1.061 -7.244 274 HD13 LEU 17 3HD1 LEU 17 0.993 1.739 -8.791 275 HD21 LEU 17 3HD2 LEU 17 0.951 -0.844 -8.362 276 HD22 LEU 17 1HD2 LEU 17 2.437 -1.599 -7.779 277 HD23 LEU 17 2HD2 LEU 17 2.378 -0.900 -9.397 278 H VAL 18 H VAL 18 3.639 2.390 -5.769 279 HA VAL 18 HA VAL 18 3.714 5.201 -6.557 280 HB VAL 18 HB VAL 18 2.682 5.630 -4.357 281 HG11 VAL 18 1HG1 VAL 18 1.360 3.171 -5.455 282 HG12 VAL 18 2HG1 VAL 18 1.439 4.645 -6.421 283 HG13 VAL 18 3HG1 VAL 18 0.616 4.654 -4.861 284 HG21 VAL 18 3HG2 VAL 18 3.885 3.910 -3.067 285 HG22 VAL 18 1HG2 VAL 18 3.020 2.660 -3.958 286 HG23 VAL 18 2HG2 VAL 18 2.142 3.742 -2.884 287 H CYS 19 H CYS 19 5.264 3.229 -4.084 288 HA CYS 19 HA CYS 19 6.840 5.401 -3.027 289 HB2 CYS 19 2HB CYS 19 6.675 2.471 -2.635 290 HB3 CYS 19 1HB CYS 19 8.265 3.164 -2.348 291 H GLY 20 H GLY 20 7.911 2.486 -4.759 292 HA2 GLY 20 2HA GLY 20 9.504 2.329 -6.526 293 HA3 GLY 20 1HA GLY 20 9.722 4.081 -6.448 294 H GLU 21 H GLU 21 12.038 3.883 -6.349 295 HA GLU 21 HA GLU 21 13.334 2.269 -4.324 296 HB2 GLU 21 2HB GLU 21 14.258 3.323 -6.575 297 HB3 GLU 21 1HB GLU 21 14.670 4.669 -5.512 298 HG2 GLU 21 2HG GLU 21 15.474 2.436 -4.068 299 HG3 GLU 21 1HG GLU 21 15.914 2.034 -5.728 300 H ARG 22 H ARG 22 11.449 4.964 -3.962 301 HA ARG 22 HA ARG 22 13.051 6.487 -2.094 302 HE ARG 22 HE ARG 22 10.531 9.620 -1.567 303 HB2 ARG 22 2HB ARG 22 10.060 6.406 -2.574 304 HB3 ARG 22 1HB ARG 22 10.866 7.573 -1.524 305 HG2 ARG 22 2HG ARG 22 12.330 8.148 -3.555 306 HG3 ARG 22 1HG ARG 22 11.160 7.245 -4.516 307 HD2 ARG 22 2HD ARG 22 10.512 9.575 -4.559 308 HD3 ARG 22 1HD ARG 22 9.349 8.704 -3.559 309 HH11 ARG 22 1HH2 ARG 22 13.054 10.432 -3.034 310 HH12 ARG 22 2HH2 ARG 22 12.855 12.150 -3.137 311 HH21 ARG 22 1HH1 ARG 22 9.465 12.068 -2.410 312 HH22 ARG 22 2HH1 ARG 22 10.823 13.076 -2.785 313 H GLY 23 H GLY 23 11.392 3.508 -1.832 314 HA2 GLY 23 2HA GLY 23 11.506 2.092 0.109 315 HA3 GLY 23 1HA GLY 23 11.893 3.507 1.088 316 H PHE 24 H PHE 24 9.753 1.393 1.421 317 HA PHE 24 HA PHE 24 7.407 3.250 1.440 318 HD1 PHE 24 HD2 PHE 24 8.884 1.098 -1.038 319 HD2 PHE 24 HD1 PHE 24 7.145 -1.250 2.115 320 HE1 PHE 24 HE2 PHE 24 10.378 -0.796 -1.622 321 HE2 PHE 24 HE1 PHE 24 8.640 -3.141 1.531 322 HZ PHE 24 HZ PHE 24 10.256 -2.915 -0.337 323 HB2 PHE 24 2HB PHE 24 6.202 0.844 1.566 324 HB3 PHE 24 1HB PHE 24 6.591 1.626 0.035 325 H PHE 25 H PHE 25 5.681 1.925 3.073 326 HA PHE 25 HA PHE 25 7.176 1.838 5.662 327 HD1 PHE 25 HD1 PHE 25 7.698 3.790 6.098 328 HD2 PHE 25 HD2 PHE 25 3.853 3.256 7.947 329 HE1 PHE 25 HE1 PHE 25 8.515 4.946 8.133 330 HE2 PHE 25 HE2 PHE 25 4.675 4.410 9.981 331 HZ PHE 25 HZ PHE 25 7.004 5.256 10.075 332 HB2 PHE 25 2HB PHE 25 5.056 3.477 4.864 333 HB3 PHE 25 1HB PHE 25 4.286 2.249 5.863 334 H TYR 26 H TYR 26 3.871 0.762 4.796 335 HA TYR 26 HA TYR 26 2.765 -1.227 5.395 336 HD1 TYR 26 HD1 TYR 26 1.847 -3.116 5.158 337 HD2 TYR 26 HD2 TYR 26 5.830 -4.632 4.583 338 HE1 TYR 26 HE1 TYR 26 1.076 -5.382 5.795 339 HE2 TYR 26 HE2 TYR 26 5.054 -6.897 5.219 340 HH TYR 26 HH TYR 26 3.247 -8.180 5.608 341 HB2 TYR 26 2HB TYR 26 4.005 -2.089 3.474 342 HB3 TYR 26 1HB TYR 26 5.438 -2.308 4.457 343 H THR 27 H THR 27 3.722 0.099 7.604 344 HA THR 27 HA THR 27 5.377 -1.665 9.244 345 HB THR 27 HB THR 27 5.538 0.679 9.705 346 HG1 THR 27 HG1 THR 27 4.477 0.732 11.871 347 HG21 THR 27 3HG2 THR 27 2.527 0.545 9.702 348 HG22 THR 27 1HG2 THR 27 3.580 1.582 8.741 349 HG23 THR 27 2HG2 THR 27 3.379 1.887 10.466 350 H LYS 28 H LYS 28 4.647 -3.299 10.526 351 HA LYS 28 HA LYS 28 2.123 -3.283 11.868 352 HB2 LYS 28 2HB LYS 28 0.830 -4.857 10.618 353 HB3 LYS 28 1HB LYS 28 1.379 -3.645 9.465 354 HG2 LYS 28 2HG LYS 28 2.448 -5.211 8.253 355 HG3 LYS 28 1HG LYS 28 3.339 -5.765 9.670 356 HD2 LYS 28 2HD LYS 28 0.756 -6.708 10.106 357 HD3 LYS 28 1HD LYS 28 0.999 -6.940 8.375 358 HE2 LYS 28 2HE LYS 28 2.821 -8.373 8.688 359 HE3 LYS 28 1HE LYS 28 3.151 -7.761 10.308 360 HZ1 LYS 28 3HZ LYS 28 0.665 -9.220 9.630 361 HZ2 LYS 28 1HZ LYS 28 1.285 -8.874 11.170 362 HZ3 LYS 28 2HZ LYS 28 2.067 -10.009 10.177 363 HA PRO 29 HA PRO 29 5.329 -6.457 13.048 364 HB2 PRO 29 2HB PRO 29 6.318 -5.149 15.253 365 HB3 PRO 29 1HB PRO 29 7.002 -4.987 13.627 366 HG2 PRO 29 2HG PRO 29 5.327 -3.057 15.157 367 HG3 PRO 29 1HG PRO 29 6.510 -2.749 13.875 368 HD2 PRO 29 2HD PRO 29 3.696 -2.771 13.566 369 HD3 PRO 29 1HD PRO 29 4.898 -2.779 12.264 370 H THR 30 H THR 30 5.641 -6.764 15.863 371 HA THR 30 HA THR 30 3.194 -8.041 16.597 372 HB THR 30 HB THR 30 5.563 -7.138 18.259 373 HG1 THR 30 HG1 THR 30 6.227 -9.174 17.977 374 HG21 THR 30 3HG2 THR 30 4.374 -7.598 20.107 375 HG22 THR 30 1HG2 THR 30 4.110 -9.237 19.513 376 HG23 THR 30 2HG2 THR 30 2.957 -7.961 19.122 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 0.096 -1.673 10.264 2 H2 GLY 1 2H GLY 1 -0.368 -0.197 10.964 3 H3 GLY 1 3H GLY 1 -0.309 -0.356 9.274 4 HA2 GLY 1 1HA GLY 1 -2.056 -2.259 9.995 5 HA3 GLY 1 2HA GLY 1 -2.451 -0.973 11.174 6 H ILE 2 H ILE 2 -1.213 -1.730 7.790 7 HA ILE 2 HA ILE 2 -3.819 -0.851 6.643 8 HB ILE 2 HB ILE 2 -1.414 0.096 6.000 9 HG12 ILE 2 2HG1 ILE 2 -3.704 -0.534 4.121 10 HG13 ILE 2 1HG1 ILE 2 -3.425 0.960 5.014 11 HG21 ILE 2 1HG2 ILE 2 -1.701 -2.026 3.883 12 HG22 ILE 2 2HG2 ILE 2 -0.766 -2.345 5.343 13 HG23 ILE 2 3HG2 ILE 2 -0.299 -1.028 4.268 14 HD11 ILE 2 3HD1 ILE 2 -2.628 1.541 2.903 15 HD12 ILE 2 1HD1 ILE 2 -2.009 -0.079 2.581 16 HD13 ILE 2 2HD1 ILE 2 -1.150 0.988 3.690 17 H THR 3 H THR 3 -1.617 -3.565 6.894 18 HA THR 3 HA THR 3 -2.602 -5.178 4.781 19 HB THR 3 HB THR 3 -1.560 -6.002 7.505 20 HG1 THR 3 HG1 THR 3 -0.239 -4.781 5.904 21 HG21 THR 3 3HG2 THR 3 -2.660 -7.922 6.721 22 HG22 THR 3 1HG2 THR 3 -1.018 -8.140 6.118 23 HG23 THR 3 2HG2 THR 3 -2.285 -7.562 5.036 24 H GLU 4 H GLU 4 -3.957 -4.410 7.896 25 HA GLU 4 HA GLU 4 -6.080 -6.452 7.581 26 HB2 GLU 4 2HB GLU 4 -5.024 -5.968 9.828 27 HB3 GLU 4 1HB GLU 4 -5.776 -4.374 9.769 28 HG2 GLU 4 2HG GLU 4 -7.408 -5.555 10.918 29 HG3 GLU 4 1HG GLU 4 -7.961 -5.787 9.259 30 H GLN 5 H GLN 5 -6.093 -4.602 5.529 31 HA GLN 5 HA GLN 5 -8.770 -3.577 5.650 32 HB2 GLN 5 2HB GLN 5 -7.100 -1.911 7.018 33 HB3 GLN 5 1HB GLN 5 -6.944 -1.254 5.387 34 HG2 GLN 5 2HG GLN 5 -9.673 -1.889 6.470 35 HG3 GLN 5 1HG GLN 5 -8.871 -0.392 6.953 36 HE21 GLN 5 1HE2 GLN 5 -9.149 1.344 5.542 37 HE22 GLN 5 2HE2 GLN 5 -9.619 1.211 3.917 38 H CYS 6 H CYS 6 -5.573 -2.877 4.191 39 HA CYS 6 HA CYS 6 -6.712 -2.328 1.585 40 HB2 CYS 6 2HB CYS 6 -4.015 -2.484 2.763 41 HB3 CYS 6 1HB CYS 6 -4.100 -2.975 1.070 42 H CYS 7 H CYS 7 -6.452 -5.158 3.280 43 HA CYS 7 HA CYS 7 -6.227 -6.735 0.757 44 HB2 CYS 7 2HB CYS 7 -4.433 -7.180 2.423 45 HB3 CYS 7 1HB CYS 7 -5.662 -7.647 3.589 46 H THR 8 H THR 8 -7.937 -6.433 3.865 47 HA THR 8 HA THR 8 -9.898 -8.465 3.257 48 HB THR 8 HB THR 8 -9.400 -7.467 5.558 49 HG1 THR 8 HG1 THR 8 -12.126 -7.261 4.878 50 HG21 THR 8 3HG2 THR 8 -9.886 -5.307 6.022 51 HG22 THR 8 1HG2 THR 8 -11.418 -5.375 5.150 52 HG23 THR 8 2HG2 THR 8 -9.916 -5.084 4.273 53 H SER 9 H SER 9 -9.297 -5.374 2.015 54 HA SER 9 HA SER 9 -11.764 -5.456 0.426 55 HG SER 9 HG SER 9 -13.757 -3.973 1.862 56 HB2 SER 9 2HB SER 9 -11.199 -3.332 2.490 57 HB3 SER 9 1HB SER 9 -12.124 -2.943 1.043 58 H ILE 10 H ILE 10 -11.556 -2.909 -0.718 59 HA ILE 10 HA ILE 10 -8.827 -3.061 -1.924 60 HB ILE 10 HB ILE 10 -11.415 -1.995 -3.080 61 HG12 ILE 10 2HG1 ILE 10 -9.828 -4.239 -4.249 62 HG13 ILE 10 1HG1 ILE 10 -10.782 -4.576 -2.805 63 HG21 ILE 10 1HG2 ILE 10 -10.159 -0.909 -4.598 64 HG22 ILE 10 2HG2 ILE 10 -9.329 -2.413 -5.001 65 HG23 ILE 10 3HG2 ILE 10 -8.706 -1.380 -3.715 66 HD11 ILE 10 3HD1 ILE 10 -11.734 -4.526 -5.418 67 HD12 ILE 10 1HD1 ILE 10 -12.265 -2.987 -4.741 68 HD13 ILE 10 2HD1 ILE 10 -12.717 -4.499 -3.953 69 H CYS 11 H CYS 11 -7.609 -1.123 -2.127 70 HA CYS 11 HA CYS 11 -8.827 1.243 -0.741 71 HB2 CYS 11 2HB CYS 11 -6.124 1.660 -0.485 72 HB3 CYS 11 1HB CYS 11 -7.156 0.971 0.764 73 H SER 12 H SER 12 -7.513 3.329 -1.367 74 HA SER 12 HA SER 12 -7.254 3.294 -4.345 75 HG SER 12 HG SER 12 -7.704 6.614 -2.232 76 HB2 SER 12 2HB SER 12 -7.644 5.773 -4.136 77 HB3 SER 12 1HB SER 12 -8.999 4.789 -3.589 78 H LEU 13 H LEU 13 -5.184 3.343 -5.049 79 HA LEU 13 HA LEU 13 -2.876 3.597 -3.607 80 HG LEU 13 HG LEU 13 -2.680 6.174 -6.029 81 HB2 LEU 13 2HB LEU 13 -1.785 3.828 -5.628 82 HB3 LEU 13 1HB LEU 13 -3.340 3.215 -6.172 83 HD11 LEU 13 1HD1 LEU 13 -2.226 4.090 -8.113 84 HD12 LEU 13 2HD1 LEU 13 -1.197 5.442 -7.638 85 HD13 LEU 13 3HD1 LEU 13 -2.642 5.729 -8.610 86 HD21 LEU 13 3HD2 LEU 13 -5.132 5.107 -6.200 87 HD22 LEU 13 1HD2 LEU 13 -4.672 4.949 -7.895 88 HD23 LEU 13 2HD2 LEU 13 -4.685 6.537 -7.130 89 H TYR 14 H TYR 14 -4.948 6.221 -4.710 90 HA TYR 14 HA TYR 14 -3.385 8.475 -4.414 91 HD1 TYR 14 HD1 TYR 14 -3.987 10.606 -5.053 92 HD2 TYR 14 HD2 TYR 14 -6.671 9.847 -1.787 93 HE1 TYR 14 HE1 TYR 14 -3.795 12.980 -4.346 94 HE2 TYR 14 HE2 TYR 14 -6.483 12.219 -1.078 95 HH TYR 14 HH TYR 14 -5.880 14.488 -2.400 96 HB2 TYR 14 2HB TYR 14 -5.802 8.596 -4.910 97 HB3 TYR 14 1HB TYR 14 -6.157 8.126 -3.251 98 H GLN 15 H GLN 15 -5.289 7.262 -1.677 99 HA GLN 15 HA GLN 15 -3.662 8.610 0.281 100 HB2 GLN 15 2HB GLN 15 -5.879 6.632 0.318 101 HB3 GLN 15 1HB GLN 15 -4.846 6.677 1.746 102 HG2 GLN 15 2HG GLN 15 -6.044 9.182 0.554 103 HG3 GLN 15 1HG GLN 15 -6.884 8.229 1.779 104 HE21 GLN 15 1HE2 GLN 15 -6.436 10.574 2.848 105 HE22 GLN 15 2HE2 GLN 15 -5.028 10.651 3.794 106 H LEU 16 H LEU 16 -3.810 5.334 -0.964 107 HA LEU 16 HA LEU 16 -2.098 3.892 0.647 108 HG LEU 16 HG LEU 16 -0.795 1.976 -0.705 109 HB2 LEU 16 2HB LEU 16 -3.204 3.465 -1.778 110 HB3 LEU 16 1HB LEU 16 -1.529 3.718 -2.266 111 HD11 LEU 16 1HD1 LEU 16 -3.665 2.162 0.085 112 HD12 LEU 16 2HD1 LEU 16 -2.237 1.928 1.095 113 HD13 LEU 16 3HD1 LEU 16 -2.891 0.580 0.164 114 HD21 LEU 16 3HD2 LEU 16 -1.174 0.497 -2.349 115 HD22 LEU 16 1HD2 LEU 16 -2.358 1.605 -3.038 116 HD23 LEU 16 2HD2 LEU 16 -2.871 0.368 -1.889 117 H GLU 17 H GLU 17 -1.229 6.405 -1.660 118 HA GLU 17 HA GLU 17 1.617 5.925 -1.530 119 HB2 GLU 17 2HB GLU 17 0.900 7.062 -3.455 120 HB3 GLU 17 1HB GLU 17 -0.114 8.173 -2.537 121 HG2 GLU 17 2HG GLU 17 1.869 9.270 -1.614 122 HG3 GLU 17 1HG GLU 17 2.919 8.107 -2.424 123 H ASN 18 H ASN 18 -0.604 7.502 0.578 124 HA ASN 18 HA ASN 18 1.218 9.402 1.769 125 HB2 ASN 18 2HB ASN 18 -1.494 8.421 2.264 126 HB3 ASN 18 1HB ASN 18 -0.609 8.756 3.750 127 HD21 ASN 18 1HD2 ASN 18 -2.857 10.332 2.462 128 HD22 ASN 18 2HD2 ASN 18 -2.234 11.898 2.263 129 H TYR 19 H TYR 19 1.301 6.065 1.796 130 HA TYR 19 HA TYR 19 2.326 5.906 4.575 131 HD1 TYR 19 HD1 TYR 19 -0.525 4.653 2.207 132 HD2 TYR 19 HD2 TYR 19 1.003 3.669 6.102 133 HE1 TYR 19 HE1 TYR 19 -2.829 4.710 3.122 134 HE2 TYR 19 HE2 TYR 19 -1.302 3.726 7.017 135 HH TYR 19 HH TYR 19 -3.523 4.911 6.338 136 HB2 TYR 19 2HB TYR 19 1.754 3.770 2.504 137 HB3 TYR 19 1HB TYR 19 2.394 3.442 4.114 138 H CYS 20 H CYS 20 3.799 7.264 2.310 139 HA CYS 20 HA CYS 20 6.128 5.433 2.053 140 HB2 CYS 20 2HB CYS 20 5.044 6.984 0.159 141 HB3 CYS 20 1HB CYS 20 6.203 8.129 0.798 142 H ASN 21 H ASN 21 8.232 6.986 1.942 143 HA ASN 21 HA ASN 21 8.451 8.059 4.696 144 HB2 ASN 21 2HB ASN 21 10.128 6.401 3.775 145 HB3 ASN 21 1HB ASN 21 10.653 7.657 2.654 146 HD21 ASN 21 1HD2 ASN 21 11.837 6.315 5.281 147 HD22 ASN 21 2HD2 ASN 21 12.427 7.659 6.132 148 HA PHE 1 HA PHE 1 -7.286 4.616 -10.478 149 HD1 PHE 1 HD2 PHE 1 -6.771 6.451 -10.423 150 HD2 PHE 1 HD1 PHE 1 -5.017 5.727 -14.279 151 HE1 PHE 1 HE2 PHE 1 -5.210 8.347 -10.069 152 HE2 PHE 1 HE1 PHE 1 -3.456 7.623 -13.925 153 HZ PHE 1 HZ PHE 1 -3.553 8.933 -11.821 154 H1 PHE 1 1H PHE 1 -4.972 3.818 -11.600 155 H2 PHE 1 2H PHE 1 -5.752 2.332 -11.337 156 H3 PHE 1 3H PHE 1 -5.485 3.395 -10.040 157 HB2 PHE 1 2HB PHE 1 -6.586 4.196 -13.399 158 HB3 PHE 1 1HB PHE 1 -7.925 5.195 -12.834 159 H VAL 2 H VAL 2 -7.307 1.797 -10.026 160 HA VAL 2 HA VAL 2 -10.003 1.193 -11.022 161 HB VAL 2 HB VAL 2 -8.548 0.336 -12.840 162 HG11 VAL 2 1HG1 VAL 2 -7.422 -1.732 -11.003 163 HG12 VAL 2 2HG1 VAL 2 -6.694 -0.126 -10.965 164 HG13 VAL 2 3HG1 VAL 2 -6.733 -1.041 -12.472 165 HG21 VAL 2 3HG2 VAL 2 -9.489 -2.062 -11.279 166 HG22 VAL 2 1HG2 VAL 2 -9.612 -1.750 -13.011 167 HG23 VAL 2 2HG2 VAL 2 -10.657 -0.887 -11.884 168 H ASN 3 H ASN 3 -10.971 -0.574 -9.803 169 HA ASN 3 HA ASN 3 -10.365 -0.659 -7.073 170 HB2 ASN 3 2HB ASN 3 -11.444 -3.092 -8.492 171 HB3 ASN 3 1HB ASN 3 -11.875 -2.466 -6.900 172 HD21 ASN 3 1HD2 ASN 3 -13.914 -1.513 -6.931 173 HD22 ASN 3 2HD2 ASN 3 -14.569 -0.648 -8.236 174 H GLN 4 H GLN 4 -8.312 -1.140 -6.326 175 HA GLN 4 HA GLN 4 -7.038 -3.601 -7.431 176 HB2 GLN 4 2HB GLN 4 -5.500 -1.986 -8.024 177 HB3 GLN 4 1HB GLN 4 -5.972 -0.904 -6.720 178 HG2 GLN 4 2HG GLN 4 -4.696 -3.429 -5.840 179 HG3 GLN 4 1HG GLN 4 -3.647 -2.338 -6.744 180 HE21 GLN 4 1HE2 GLN 4 -2.408 -1.446 -5.037 181 HE22 GLN 4 2HE2 GLN 4 -3.084 -0.588 -3.737 182 H HIS 5 H HIS 5 -6.503 -5.182 -6.016 183 HA HIS 5 HA HIS 5 -7.251 -4.837 -3.173 184 HD2 HIS 5 HD2 HIS 5 -8.862 -5.695 -1.917 185 HE1 HIS 5 HE1 HIS 5 -11.480 -8.042 -4.264 186 HE2 HIS 5 HE2 HIS 5 -11.310 -6.521 -2.223 187 HB2 HIS 5 2HB HIS 5 -6.907 -7.106 -5.062 188 HB3 HIS 5 1HB HIS 5 -6.487 -7.435 -3.383 189 H LEU 6 H LEU 6 -5.730 -5.349 -1.458 190 HA LEU 6 HA LEU 6 -2.888 -5.537 -2.308 191 HG LEU 6 HG LEU 6 -3.026 -2.429 -2.592 192 HB2 LEU 6 2HB LEU 6 -4.217 -3.356 -0.846 193 HB3 LEU 6 1HB LEU 6 -2.787 -3.967 -0.044 194 HD11 LEU 6 1HD1 LEU 6 -0.501 -2.508 -1.106 195 HD12 LEU 6 2HD1 LEU 6 -1.886 -2.086 -0.098 196 HD13 LEU 6 3HD1 LEU 6 -1.515 -1.131 -1.532 197 HD21 LEU 6 3HD2 LEU 6 -0.597 -3.396 -3.067 198 HD22 LEU 6 1HD2 LEU 6 -2.014 -4.238 -3.693 199 HD23 LEU 6 2HD2 LEU 6 -1.217 -4.813 -2.228 200 H CYS 7 H CYS 7 -1.700 -6.943 -1.169 201 HA CYS 7 HA CYS 7 -2.417 -7.632 1.591 202 HB2 CYS 7 2HB CYS 7 -2.403 -9.812 -0.529 203 HB3 CYS 7 1HB CYS 7 -2.743 -10.012 1.187 204 H GLY 8 H GLY 8 -0.639 -8.417 2.685 205 HA2 GLY 8 2HA GLY 8 1.761 -8.304 2.951 206 HA3 GLY 8 1HA GLY 8 1.483 -9.902 2.276 207 H SER 9 H SER 9 2.777 -10.364 0.599 208 HA SER 9 HA SER 9 4.663 -8.754 -0.597 209 HG SER 9 HG SER 9 4.818 -12.069 -0.931 210 HB2 SER 9 2HB SER 9 3.108 -11.104 -1.626 211 HB3 SER 9 1HB SER 9 4.204 -10.256 -2.713 212 H ASP 10 H ASP 10 1.324 -9.201 -1.822 213 HA ASP 10 HA ASP 10 1.608 -7.359 -3.999 214 HB2 ASP 10 2HB ASP 10 -0.772 -8.404 -2.454 215 HB3 ASP 10 1HB ASP 10 -0.953 -7.260 -3.780 216 H LEU 11 H LEU 11 1.060 -6.981 -0.607 217 HA LEU 11 HA LEU 11 -0.078 -4.377 -0.511 218 HG LEU 11 HG LEU 11 1.435 -3.558 2.472 219 HB2 LEU 11 2HB LEU 11 0.298 -6.056 1.392 220 HB3 LEU 11 1HB LEU 11 1.966 -5.509 1.425 221 HD11 LEU 11 1HD1 LEU 11 -0.680 -2.296 2.045 222 HD12 LEU 11 2HD1 LEU 11 -1.153 -3.552 0.900 223 HD13 LEU 11 3HD1 LEU 11 0.274 -2.563 0.585 224 HD21 LEU 11 3HD2 LEU 11 -1.055 -3.915 3.519 225 HD22 LEU 11 1HD2 LEU 11 0.393 -4.712 4.134 226 HD23 LEU 11 2HD2 LEU 11 -0.670 -5.559 3.011 227 H VAL 12 H VAL 12 3.353 -5.382 -0.417 228 HA VAL 12 HA VAL 12 4.353 -2.681 -0.459 229 HB VAL 12 HB VAL 12 6.504 -3.838 -1.184 230 HG11 VAL 12 1HG1 VAL 12 5.065 -3.892 1.290 231 HG12 VAL 12 2HG1 VAL 12 6.812 -3.898 1.046 232 HG13 VAL 12 3HG1 VAL 12 5.927 -5.422 1.121 233 HG21 VAL 12 3HG2 VAL 12 5.134 -5.746 -2.251 234 HG22 VAL 12 1HG2 VAL 12 4.942 -6.358 -0.608 235 HG23 VAL 12 2HG2 VAL 12 6.553 -6.208 -1.311 236 H GLU 13 H GLU 13 3.368 -4.957 -2.939 237 HA GLU 13 HA GLU 13 4.648 -3.823 -5.196 238 HB2 GLU 13 2HB GLU 13 3.097 -5.923 -4.991 239 HB3 GLU 13 1HB GLU 13 1.798 -4.779 -5.330 240 HG2 GLU 13 2HG GLU 13 2.464 -4.456 -7.493 241 HG3 GLU 13 1HG GLU 13 4.177 -4.594 -7.093 242 H ALA 14 H ALA 14 1.472 -3.024 -3.763 243 HA ALA 14 HA ALA 14 0.943 -0.830 -5.547 244 HB1 ALA 14 3HB ALA 14 -0.798 -1.977 -4.176 245 HB2 ALA 14 1HB ALA 14 -0.808 -0.229 -3.968 246 HB3 ALA 14 2HB ALA 14 -0.086 -1.258 -2.730 247 H LEU 15 H LEU 15 2.128 -0.942 -2.194 248 HA LEU 15 HA LEU 15 2.627 1.828 -1.866 249 HG LEU 15 HG LEU 15 1.849 -0.612 0.091 250 HB2 LEU 15 2HB LEU 15 4.076 -0.580 -0.719 251 HB3 LEU 15 1HB LEU 15 4.339 1.075 -0.178 252 HD11 LEU 15 1HD1 LEU 15 2.538 1.023 2.334 253 HD12 LEU 15 2HD1 LEU 15 4.002 0.219 1.765 254 HD13 LEU 15 3HD1 LEU 15 2.585 -0.735 2.207 255 HD21 LEU 15 3HD2 LEU 15 1.011 1.482 -0.762 256 HD22 LEU 15 1HD2 LEU 15 2.136 2.408 0.233 257 HD23 LEU 15 2HD2 LEU 15 0.802 1.536 0.988 258 H TYR 16 H TYR 16 4.583 -0.739 -3.322 259 HA TYR 16 HA TYR 16 7.026 0.641 -3.585 260 HD1 TYR 16 HD2 TYR 16 9.118 -0.176 -5.422 261 HD2 TYR 16 HD1 TYR 16 6.902 -2.970 -3.024 262 HE1 TYR 16 HE2 TYR 16 11.237 -1.010 -4.441 263 HE2 TYR 16 HE1 TYR 16 9.023 -3.806 -2.042 264 HH TYR 16 HH TYR 16 12.172 -2.471 -3.065 265 HB2 TYR 16 2HB TYR 16 5.798 -1.719 -4.720 266 HB3 TYR 16 1HB TYR 16 6.721 -0.854 -5.948 267 H LEU 17 H LEU 17 4.675 0.247 -6.274 268 HA LEU 17 HA LEU 17 5.801 2.148 -7.975 269 HG LEU 17 HG LEU 17 2.988 0.837 -6.403 270 HB2 LEU 17 2HB LEU 17 3.326 2.567 -8.730 271 HB3 LEU 17 1HB LEU 17 4.067 0.991 -8.986 272 HD11 LEU 17 1HD1 LEU 17 0.907 1.995 -8.263 273 HD12 LEU 17 2HD1 LEU 17 1.740 2.961 -7.044 274 HD13 LEU 17 3HD1 LEU 17 0.730 1.602 -6.552 275 HD21 LEU 17 3HD2 LEU 17 2.136 -0.148 -9.127 276 HD22 LEU 17 1HD2 LEU 17 1.227 -0.579 -7.679 277 HD23 LEU 17 2HD2 LEU 17 2.919 -1.052 -7.831 278 H VAL 18 H VAL 18 3.385 2.810 -5.406 279 HA VAL 18 HA VAL 18 3.275 5.631 -5.932 280 HB VAL 18 HB VAL 18 2.380 5.811 -3.614 281 HG11 VAL 18 1HG1 VAL 18 0.868 3.497 -4.349 282 HG12 VAL 18 2HG1 VAL 18 1.319 4.377 -5.810 283 HG13 VAL 18 3HG1 VAL 18 0.432 5.197 -4.523 284 HG21 VAL 18 3HG2 VAL 18 2.056 3.695 -2.348 285 HG22 VAL 18 1HG2 VAL 18 3.760 4.107 -2.533 286 HG23 VAL 18 2HG2 VAL 18 3.036 2.858 -3.548 287 H CYS 19 H CYS 19 5.147 3.719 -3.648 288 HA CYS 19 HA CYS 19 6.571 5.970 -2.538 289 HB2 CYS 19 2HB CYS 19 6.741 3.007 -2.379 290 HB3 CYS 19 1HB CYS 19 8.229 3.886 -2.041 291 H GLY 20 H GLY 20 7.745 3.303 -4.592 292 HA2 GLY 20 2HA GLY 20 9.182 3.468 -6.496 293 HA3 GLY 20 1HA GLY 20 9.369 5.196 -6.173 294 H GLU 21 H GLU 21 11.746 4.396 -6.559 295 HA GLU 21 HA GLU 21 12.991 2.910 -4.408 296 HB2 GLU 21 2HB GLU 21 15.091 3.440 -5.466 297 HB3 GLU 21 1HB GLU 21 13.926 3.105 -6.746 298 HG2 GLU 21 2HG GLU 21 13.976 5.929 -5.933 299 HG3 GLU 21 1HG GLU 21 15.511 5.363 -6.592 300 H ARG 22 H ARG 22 11.501 4.814 -3.159 301 HA ARG 22 HA ARG 22 13.542 6.724 -2.130 302 HE ARG 22 HE ARG 22 9.717 9.817 -3.273 303 HB2 ARG 22 2HB ARG 22 10.572 7.024 -2.572 304 HB3 ARG 22 1HB ARG 22 11.406 8.012 -1.371 305 HG2 ARG 22 2HG ARG 22 13.062 8.184 -3.589 306 HG3 ARG 22 1HG ARG 22 11.444 8.210 -4.292 307 HD2 ARG 22 2HD ARG 22 12.443 10.015 -2.068 308 HD3 ARG 22 1HD ARG 22 12.167 10.495 -3.743 309 HH11 ARG 22 1HH2 ARG 22 11.446 9.701 -0.429 310 HH12 ARG 22 2HH2 ARG 22 10.456 10.828 0.438 311 HH21 ARG 22 1HH1 ARG 22 8.649 11.795 -2.358 312 HH22 ARG 22 2HH1 ARG 22 8.879 12.020 -0.656 313 H GLY 23 H GLY 23 11.503 4.058 -1.506 314 HA2 GLY 23 2HA GLY 23 11.879 2.796 0.566 315 HA3 GLY 23 1HA GLY 23 12.123 4.326 1.403 316 H PHE 24 H PHE 24 10.041 1.873 1.271 317 HA PHE 24 HA PHE 24 7.627 3.605 1.639 318 HD1 PHE 24 HD2 PHE 24 9.367 1.079 -0.879 319 HD2 PHE 24 HD1 PHE 24 7.081 -0.654 2.322 320 HE1 PHE 24 HE2 PHE 24 10.685 -1.011 -1.070 321 HE2 PHE 24 HE1 PHE 24 8.400 -2.744 2.130 322 HZ PHE 24 HZ PHE 24 10.203 -2.925 0.436 323 HB2 PHE 24 2HB PHE 24 6.371 1.402 1.284 324 HB3 PHE 24 1HB PHE 24 7.193 2.040 -0.136 325 H PHE 25 H PHE 25 6.023 2.339 3.263 326 HA PHE 25 HA PHE 25 7.614 1.095 5.445 327 HD1 PHE 25 HD2 PHE 25 6.291 0.736 7.700 328 HD2 PHE 25 HD1 PHE 25 8.432 4.456 7.451 329 HE1 PHE 25 HE2 PHE 25 7.347 0.277 9.897 330 HE2 PHE 25 HE1 PHE 25 9.486 3.994 9.647 331 HZ PHE 25 HZ PHE 25 8.944 1.906 10.870 332 HB2 PHE 25 2HB PHE 25 7.163 3.731 5.613 333 HB3 PHE 25 1HB PHE 25 5.613 3.172 6.237 334 H TYR 26 H TYR 26 6.295 -0.765 4.475 335 HA TYR 26 HA TYR 26 3.422 -0.688 5.049 336 HD1 TYR 26 HD1 TYR 26 2.695 -4.262 5.225 337 HD2 TYR 26 HD2 TYR 26 6.748 -3.596 3.945 338 HE1 TYR 26 HE1 TYR 26 3.327 -6.506 6.058 339 HE2 TYR 26 HE2 TYR 26 7.373 -5.845 4.777 340 HH TYR 26 HH TYR 26 5.130 -7.813 6.633 341 HB2 TYR 26 2HB TYR 26 3.286 -2.449 3.623 342 HB3 TYR 26 1HB TYR 26 4.962 -2.104 3.239 343 H THR 27 H THR 27 3.533 -0.215 7.339 344 HA THR 27 HA THR 27 4.850 -2.182 9.086 345 HB THR 27 HB THR 27 4.883 0.172 9.734 346 HG1 THR 27 HG1 THR 27 3.012 -0.834 11.519 347 HG21 THR 27 3HG2 THR 27 2.942 1.066 8.705 348 HG22 THR 27 1HG2 THR 27 2.624 1.179 10.437 349 HG23 THR 27 2HG2 THR 27 1.888 -0.113 9.487 350 H LYS 28 H LYS 28 3.663 -3.380 10.731 351 HA LYS 28 HA LYS 28 0.786 -3.830 10.066 352 HB2 LYS 28 2HB LYS 28 2.442 -6.137 11.003 353 HB3 LYS 28 1HB LYS 28 1.039 -6.126 9.935 354 HG2 LYS 28 2HG LYS 28 2.661 -6.507 8.350 355 HG3 LYS 28 1HG LYS 28 2.739 -4.745 8.382 356 HD2 LYS 28 2HD LYS 28 4.974 -5.210 8.703 357 HD3 LYS 28 1HD LYS 28 4.440 -5.232 10.385 358 HE2 LYS 28 2HE LYS 28 4.153 -7.677 10.270 359 HE3 LYS 28 1HE LYS 28 4.669 -7.663 8.582 360 HZ1 LYS 28 3HZ LYS 28 6.770 -6.602 9.393 361 HZ2 LYS 28 1HZ LYS 28 6.551 -8.215 9.868 362 HZ3 LYS 28 2HZ LYS 28 6.269 -6.959 10.976 363 HA PRO 29 HA PRO 29 0.317 -3.291 14.392 364 HB2 PRO 29 2HB PRO 29 -2.192 -4.392 14.644 365 HB3 PRO 29 1HB PRO 29 -1.886 -2.779 13.978 366 HG2 PRO 29 2HG PRO 29 -2.600 -5.298 12.545 367 HG3 PRO 29 1HG PRO 29 -2.914 -3.616 12.084 368 HD2 PRO 29 2HD PRO 29 -0.873 -5.249 11.026 369 HD3 PRO 29 1HD PRO 29 -0.967 -3.484 10.875 370 H THR 30 H THR 30 -0.511 -6.488 13.050 371 HA THR 30 HA THR 30 0.804 -7.708 15.433 372 HB THR 30 HB THR 30 -1.733 -8.801 14.191 373 HG1 THR 30 HG1 THR 30 -1.462 -7.418 16.645 374 HG21 THR 30 3HG2 THR 30 -0.085 -9.452 16.638 375 HG22 THR 30 1HG2 THR 30 -0.509 -10.520 15.299 376 HG23 THR 30 2HG2 THR 30 -1.747 -10.009 16.446 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -5.309 0.263 11.424 2 H2 GLY 1 2H GLY 1 -5.945 0.859 9.966 3 H3 GLY 1 3H GLY 1 -5.009 1.868 10.962 4 HA2 GLY 1 1HA GLY 1 -3.321 1.211 9.627 5 HA3 GLY 1 2HA GLY 1 -3.315 -0.300 10.586 6 H ILE 2 H ILE 2 -1.949 0.087 8.286 7 HA ILE 2 HA ILE 2 -3.535 0.410 5.850 8 HB ILE 2 HB ILE 2 -1.223 1.185 5.858 9 HG12 ILE 2 2HG1 ILE 2 -1.726 -1.253 4.128 10 HG13 ILE 2 1HG1 ILE 2 -2.082 0.423 3.715 11 HG21 ILE 2 1HG2 ILE 2 -0.424 -1.703 6.222 12 HG22 ILE 2 2HG2 ILE 2 -0.400 -0.503 7.514 13 HG23 ILE 2 3HG2 ILE 2 0.648 -0.309 6.110 14 HD11 ILE 2 3HD1 ILE 2 0.495 -1.028 3.647 15 HD12 ILE 2 1HD1 ILE 2 0.575 0.607 4.302 16 HD13 ILE 2 2HD1 ILE 2 -0.053 0.339 2.676 17 H THR 3 H THR 3 -1.748 -2.296 7.363 18 HA THR 3 HA THR 3 -2.575 -4.229 5.418 19 HB THR 3 HB THR 3 -1.623 -4.472 8.280 20 HG1 THR 3 HG1 THR 3 0.221 -4.495 7.313 21 HG21 THR 3 3HG2 THR 3 -3.051 -6.383 7.924 22 HG22 THR 3 1HG2 THR 3 -1.382 -6.927 7.751 23 HG23 THR 3 2HG2 THR 3 -2.373 -6.653 6.319 24 H GLU 4 H GLU 4 -4.074 -2.914 8.283 25 HA GLU 4 HA GLU 4 -6.267 -4.905 8.170 26 HB2 GLU 4 2HB GLU 4 -5.225 -4.017 10.356 27 HB3 GLU 4 1HB GLU 4 -6.111 -2.528 10.026 28 HG2 GLU 4 2HG GLU 4 -7.367 -4.119 11.503 29 HG3 GLU 4 1HG GLU 4 -8.225 -3.724 10.014 30 H GLN 5 H GLN 5 -5.860 -3.013 5.972 31 HA GLN 5 HA GLN 5 -8.600 -2.068 5.741 32 HB2 GLN 5 2HB GLN 5 -7.245 -0.273 7.120 33 HB3 GLN 5 1HB GLN 5 -6.555 0.138 5.548 34 HG2 GLN 5 2HG GLN 5 -8.627 0.788 4.665 35 HG3 GLN 5 1HG GLN 5 -9.536 -0.128 5.868 36 HE21 GLN 5 1HE2 GLN 5 -10.502 1.230 7.375 37 HE22 GLN 5 2HE2 GLN 5 -9.850 2.694 7.934 38 H CYS 6 H CYS 6 -5.270 -1.959 4.569 39 HA CYS 6 HA CYS 6 -6.242 -1.768 1.775 40 HB2 CYS 6 2HB CYS 6 -3.528 -1.543 3.075 41 HB3 CYS 6 1HB CYS 6 -3.702 -1.729 1.332 42 H CYS 7 H CYS 7 -5.416 -4.079 4.099 43 HA CYS 7 HA CYS 7 -5.088 -6.127 1.959 44 HB2 CYS 7 2HB CYS 7 -2.952 -5.899 3.092 45 HB3 CYS 7 1HB CYS 7 -3.731 -6.024 4.664 46 H THR 8 H THR 8 -7.480 -5.902 2.290 47 HA THR 8 HA THR 8 -8.454 -8.168 3.793 48 HB THR 8 HB THR 8 -9.127 -5.373 4.771 49 HG1 THR 8 HG1 THR 8 -8.502 -6.594 6.783 50 HG21 THR 8 3HG2 THR 8 -10.521 -8.003 5.070 51 HG22 THR 8 1HG2 THR 8 -11.203 -6.384 4.922 52 HG23 THR 8 2HG2 THR 8 -10.493 -6.906 6.450 53 H SER 9 H SER 9 -9.141 -5.119 2.152 54 HA SER 9 HA SER 9 -11.258 -6.509 0.588 55 HG SER 9 HG SER 9 -13.620 -4.630 0.520 56 HB2 SER 9 2HB SER 9 -12.494 -5.176 2.180 57 HB3 SER 9 1HB SER 9 -11.449 -3.785 1.909 58 H ILE 10 H ILE 10 -10.392 -3.094 0.471 59 HA ILE 10 HA ILE 10 -8.647 -3.552 -1.874 60 HB ILE 10 HB ILE 10 -10.884 -1.548 -2.116 61 HG12 ILE 10 2HG1 ILE 10 -11.812 -3.869 -1.629 62 HG13 ILE 10 1HG1 ILE 10 -12.290 -3.187 -3.185 63 HG21 ILE 10 1HG2 ILE 10 -10.461 -2.222 -4.575 64 HG22 ILE 10 2HG2 ILE 10 -9.004 -3.010 -3.970 65 HG23 ILE 10 3HG2 ILE 10 -9.214 -1.270 -3.770 66 HD11 ILE 10 3HD1 ILE 10 -11.068 -4.705 -4.375 67 HD12 ILE 10 1HD1 ILE 10 -11.235 -5.670 -2.909 68 HD13 ILE 10 2HD1 ILE 10 -9.766 -4.735 -3.187 69 H CYS 11 H CYS 11 -7.077 -1.947 -2.052 70 HA CYS 11 HA CYS 11 -7.094 0.090 0.117 71 HB2 CYS 11 2HB CYS 11 -5.125 -1.460 -0.145 72 HB3 CYS 11 1HB CYS 11 -4.806 -0.706 -1.706 73 H SER 12 H SER 12 -6.482 2.303 -0.397 74 HA SER 12 HA SER 12 -7.411 3.102 -3.112 75 HG SER 12 HG SER 12 -8.336 4.394 0.305 76 HB2 SER 12 2HB SER 12 -7.138 5.434 -1.728 77 HB3 SER 12 1HB SER 12 -8.622 4.486 -1.778 78 H LEU 13 H LEU 13 -5.771 3.213 -4.505 79 HA LEU 13 HA LEU 13 -3.055 3.413 -4.237 80 HG LEU 13 HG LEU 13 -5.207 2.728 -6.168 81 HB2 LEU 13 2HB LEU 13 -3.964 5.472 -6.120 82 HB3 LEU 13 1HB LEU 13 -2.990 4.043 -6.413 83 HD11 LEU 13 1HD1 LEU 13 -7.229 3.926 -6.468 84 HD12 LEU 13 2HD1 LEU 13 -6.387 5.387 -6.983 85 HD13 LEU 13 3HD1 LEU 13 -6.344 4.895 -5.290 86 HD21 LEU 13 3HD2 LEU 13 -5.004 2.606 -8.399 87 HD22 LEU 13 1HD2 LEU 13 -3.858 3.943 -8.305 88 HD23 LEU 13 2HD2 LEU 13 -5.569 4.266 -8.587 89 H TYR 14 H TYR 14 -5.287 6.138 -4.209 90 HA TYR 14 HA TYR 14 -3.526 8.261 -3.773 91 HD1 TYR 14 HD2 TYR 14 -6.143 8.272 -0.447 92 HD2 TYR 14 HD1 TYR 14 -4.849 11.021 -3.489 93 HE1 TYR 14 HE2 TYR 14 -6.067 10.096 1.234 94 HE2 TYR 14 HE1 TYR 14 -4.775 12.844 -1.806 95 HH TYR 14 HH TYR 14 -4.874 13.330 0.381 96 HB2 TYR 14 2HB TYR 14 -5.785 8.841 -4.066 97 HB3 TYR 14 1HB TYR 14 -6.327 7.711 -2.829 98 H GLN 15 H GLN 15 -5.296 6.712 -1.102 99 HA GLN 15 HA GLN 15 -3.576 7.626 0.968 100 HB2 GLN 15 2HB GLN 15 -5.547 5.425 0.662 101 HB3 GLN 15 1HB GLN 15 -4.344 5.202 1.926 102 HG2 GLN 15 2HG GLN 15 -6.027 7.703 1.641 103 HG3 GLN 15 1HG GLN 15 -6.449 6.356 2.696 104 HE21 GLN 15 1HE2 GLN 15 -3.073 6.536 2.658 105 HE22 GLN 15 2HE2 GLN 15 -2.858 7.487 4.043 106 H LEU 16 H LEU 16 -3.547 4.738 -1.005 107 HA LEU 16 HA LEU 16 -1.427 3.280 0.088 108 HG LEU 16 HG LEU 16 0.009 2.212 -1.692 109 HB2 LEU 16 2HB LEU 16 -2.930 2.660 -1.870 110 HB3 LEU 16 1HB LEU 16 -1.887 3.668 -2.873 111 HD11 LEU 16 1HD1 LEU 16 -2.243 0.230 -1.943 112 HD12 LEU 16 2HD1 LEU 16 -1.898 1.037 -0.413 113 HD13 LEU 16 3HD1 LEU 16 -0.675 0.013 -1.166 114 HD21 LEU 16 3HD2 LEU 16 0.273 1.245 -3.746 115 HD22 LEU 16 1HD2 LEU 16 -0.971 2.413 -4.193 116 HD23 LEU 16 2HD2 LEU 16 -1.415 0.743 -3.840 117 H GLU 17 H GLU 17 -1.334 6.088 -2.039 118 HA GLU 17 HA GLU 17 1.523 5.929 -2.499 119 HB2 GLU 17 2HB GLU 17 0.255 7.074 -4.150 120 HB3 GLU 17 1HB GLU 17 -0.542 8.083 -2.945 121 HG2 GLU 17 2HG GLU 17 1.732 9.047 -2.387 122 HG3 GLU 17 1HG GLU 17 2.368 8.173 -3.780 123 H ASN 18 H ASN 18 -0.462 7.260 0.006 124 HA ASN 18 HA ASN 18 1.599 9.063 0.997 125 HB2 ASN 18 2HB ASN 18 -0.851 9.427 1.399 126 HB3 ASN 18 1HB ASN 18 -0.839 8.014 2.455 127 HD21 ASN 18 1HD2 ASN 18 0.244 8.197 4.529 128 HD22 ASN 18 2HD2 ASN 18 0.753 9.695 5.143 129 H TYR 19 H TYR 19 1.028 5.702 1.239 130 HA TYR 19 HA TYR 19 2.536 5.500 3.783 131 HD1 TYR 19 HD2 TYR 19 0.555 5.782 4.545 132 HD2 TYR 19 HD1 TYR 19 -0.614 2.445 2.104 133 HE1 TYR 19 HE2 TYR 19 -1.826 6.246 5.032 134 HE2 TYR 19 HE1 TYR 19 -2.989 2.906 2.589 135 HH TYR 19 HH TYR 19 -4.300 4.053 4.420 136 HB2 TYR 19 2HB TYR 19 1.617 3.202 2.056 137 HB3 TYR 19 1HB TYR 19 1.990 3.187 3.777 138 H CYS 20 H CYS 20 3.362 6.025 0.645 139 HA CYS 20 HA CYS 20 5.388 3.982 0.306 140 HB2 CYS 20 2HB CYS 20 6.076 5.125 -1.614 141 HB3 CYS 20 1HB CYS 20 4.401 5.545 -1.535 142 H ASN 21 H ASN 21 7.727 5.269 -0.195 143 HA ASN 21 HA ASN 21 8.919 5.506 2.353 144 HB2 ASN 21 2HB ASN 21 10.209 5.168 0.259 145 HB3 ASN 21 1HB ASN 21 9.853 6.830 -0.210 146 HD21 ASN 21 1HD2 ASN 21 11.463 8.293 0.368 147 HD22 ASN 21 2HD2 ASN 21 12.541 8.094 1.665 148 HA PHE 1 HA PHE 1 -11.057 5.005 -10.892 149 HD1 PHE 1 HD1 PHE 1 -13.489 6.805 -9.276 150 HD2 PHE 1 HD2 PHE 1 -9.474 5.704 -8.208 151 HE1 PHE 1 HE1 PHE 1 -12.906 9.200 -8.994 152 HE2 PHE 1 HE2 PHE 1 -8.891 8.099 -7.929 153 HZ PHE 1 HZ PHE 1 -10.607 9.848 -8.322 154 H1 PHE 1 1H PHE 1 -13.358 5.021 -11.260 155 H2 PHE 1 2H PHE 1 -13.589 3.530 -10.479 156 H3 PHE 1 3H PHE 1 -12.810 3.591 -11.987 157 HB2 PHE 1 2HB PHE 1 -12.908 4.488 -8.685 158 HB3 PHE 1 1HB PHE 1 -11.247 4.041 -8.292 159 H VAL 2 H VAL 2 -9.303 3.670 -9.499 160 HA VAL 2 HA VAL 2 -9.211 1.007 -10.799 161 HB VAL 2 HB VAL 2 -7.062 2.432 -9.208 162 HG11 VAL 2 1HG1 VAL 2 -6.513 0.425 -11.344 163 HG12 VAL 2 2HG1 VAL 2 -7.145 -0.181 -9.813 164 HG13 VAL 2 3HG1 VAL 2 -5.640 0.738 -9.843 165 HG21 VAL 2 3HG2 VAL 2 -7.918 2.592 -12.079 166 HG22 VAL 2 1HG2 VAL 2 -6.197 2.686 -11.705 167 HG23 VAL 2 2HG2 VAL 2 -7.313 3.867 -11.020 168 H ASN 3 H ASN 3 -9.706 -0.798 -9.655 169 HA ASN 3 HA ASN 3 -9.564 -0.632 -6.669 170 HB2 ASN 3 2HB ASN 3 -11.241 -2.660 -6.944 171 HB3 ASN 3 1HB ASN 3 -11.829 -1.001 -7.063 172 HD21 ASN 3 1HD2 ASN 3 -12.424 -0.192 -9.185 173 HD22 ASN 3 2HD2 ASN 3 -12.587 -1.225 -10.522 174 H GLN 4 H GLN 4 -7.923 -1.857 -5.869 175 HA GLN 4 HA GLN 4 -7.371 -4.492 -7.107 176 HB2 GLN 4 2HB GLN 4 -5.799 -3.128 -8.287 177 HB3 GLN 4 1HB GLN 4 -5.381 -2.225 -6.835 178 HG2 GLN 4 2HG GLN 4 -3.642 -3.645 -6.598 179 HG3 GLN 4 1HG GLN 4 -4.821 -4.882 -6.162 180 HE21 GLN 4 1HE2 GLN 4 -4.229 -6.738 -7.319 181 HE22 GLN 4 2HE2 GLN 4 -3.870 -6.765 -8.979 182 H HIS 5 H HIS 5 -6.851 -6.002 -5.557 183 HA HIS 5 HA HIS 5 -6.986 -5.210 -2.756 184 HD2 HIS 5 HD2 HIS 5 -9.846 -7.781 -2.796 185 HE1 HIS 5 HE1 HIS 5 -9.592 -7.723 -7.016 186 HE2 HIS 5 HE2 HIS 5 -11.165 -7.966 -5.025 187 HB2 HIS 5 2HB HIS 5 -6.106 -7.930 -3.682 188 HB3 HIS 5 1HB HIS 5 -7.088 -7.503 -2.284 189 H LEU 6 H LEU 6 -5.286 -5.358 -1.225 190 HA LEU 6 HA LEU 6 -2.541 -5.738 -2.317 191 HG LEU 6 HG LEU 6 -2.759 -2.703 -3.080 192 HB2 LEU 6 2HB LEU 6 -3.743 -3.347 -1.097 193 HB3 LEU 6 1HB LEU 6 -2.227 -3.831 -0.373 194 HD11 LEU 6 1HD1 LEU 6 -0.081 -2.616 -1.887 195 HD12 LEU 6 2HD1 LEU 6 -1.347 -2.007 -0.820 196 HD13 LEU 6 3HD1 LEU 6 -1.127 -1.302 -2.420 197 HD21 LEU 6 3HD2 LEU 6 -0.873 -5.007 -2.568 198 HD22 LEU 6 1HD2 LEU 6 -0.435 -3.763 -3.732 199 HD23 LEU 6 2HD2 LEU 6 -1.899 -4.714 -3.971 200 H CYS 7 H CYS 7 -1.308 -7.031 -1.127 201 HA CYS 7 HA CYS 7 -1.621 -7.234 1.774 202 HB2 CYS 7 2HB CYS 7 -2.596 -9.418 -0.077 203 HB3 CYS 7 1HB CYS 7 -1.994 -9.808 1.532 204 H GLY 8 H GLY 8 0.273 -8.065 2.668 205 HA2 GLY 8 2HA GLY 8 2.606 -8.470 2.619 206 HA3 GLY 8 1HA GLY 8 2.060 -9.933 1.807 207 H SER 9 H SER 9 3.520 -10.218 0.194 208 HA SER 9 HA SER 9 5.126 -8.469 -1.155 209 HG SER 9 HG SER 9 3.920 -12.086 -2.183 210 HB2 SER 9 2HB SER 9 4.309 -10.056 -3.251 211 HB3 SER 9 1HB SER 9 5.533 -10.499 -2.064 212 H ASP 10 H ASP 10 1.773 -9.195 -2.207 213 HA ASP 10 HA ASP 10 1.716 -7.358 -4.362 214 HB2 ASP 10 2HB ASP 10 -0.527 -8.214 -2.507 215 HB3 ASP 10 1HB ASP 10 -0.746 -7.431 -4.069 216 H LEU 11 H LEU 11 1.125 -6.907 -0.911 217 HA LEU 11 HA LEU 11 0.116 -4.250 -0.965 218 HG LEU 11 HG LEU 11 1.929 -3.431 1.805 219 HB2 LEU 11 2HB LEU 11 0.076 -5.667 1.039 220 HB3 LEU 11 1HB LEU 11 1.834 -5.657 1.104 221 HD11 LEU 11 1HD1 LEU 11 0.459 -2.558 -0.017 222 HD12 LEU 11 2HD1 LEU 11 0.124 -1.819 1.549 223 HD13 LEU 11 3HD1 LEU 11 -0.946 -3.072 0.919 224 HD21 LEU 11 3HD2 LEU 11 -0.686 -4.524 2.876 225 HD22 LEU 11 1HD2 LEU 11 0.247 -3.222 3.614 226 HD23 LEU 11 2HD2 LEU 11 0.918 -4.851 3.530 227 H VAL 12 H VAL 12 3.499 -5.374 -0.648 228 HA VAL 12 HA VAL 12 4.593 -2.719 -0.624 229 HB VAL 12 HB VAL 12 6.727 -3.901 -1.312 230 HG11 VAL 12 1HG1 VAL 12 6.006 -3.521 1.060 231 HG12 VAL 12 2HG1 VAL 12 6.996 -4.966 0.856 232 HG13 VAL 12 3HG1 VAL 12 5.247 -5.113 1.039 233 HG21 VAL 12 3HG2 VAL 12 6.724 -6.316 -1.382 234 HG22 VAL 12 1HG2 VAL 12 5.519 -5.739 -2.530 235 HG23 VAL 12 2HG2 VAL 12 5.013 -6.371 -0.963 236 H GLU 13 H GLU 13 3.958 -5.042 -3.245 237 HA GLU 13 HA GLU 13 5.240 -3.820 -5.385 238 HB2 GLU 13 2HB GLU 13 3.857 -5.880 -5.575 239 HB3 GLU 13 1HB GLU 13 2.401 -4.896 -5.418 240 HG2 GLU 13 2HG GLU 13 3.196 -3.574 -7.427 241 HG3 GLU 13 1HG GLU 13 4.455 -4.790 -7.640 242 H ALA 14 H ALA 14 1.953 -3.003 -4.217 243 HA ALA 14 HA ALA 14 1.596 -0.753 -5.938 244 HB1 ALA 14 3HB ALA 14 0.387 -0.638 -3.232 245 HB2 ALA 14 1HB ALA 14 -0.002 -2.064 -4.191 246 HB3 ALA 14 2HB ALA 14 -0.379 -0.459 -4.811 247 H LEU 15 H LEU 15 2.915 -1.047 -2.667 248 HA LEU 15 HA LEU 15 3.322 1.773 -2.282 249 HG LEU 15 HG LEU 15 2.312 -0.513 -0.185 250 HB2 LEU 15 2HB LEU 15 4.498 -0.673 -0.966 251 HB3 LEU 15 1HB LEU 15 4.906 0.959 -0.465 252 HD11 LEU 15 1HD1 LEU 15 4.231 -0.066 1.543 253 HD12 LEU 15 2HD1 LEU 15 2.548 0.102 2.043 254 HD13 LEU 15 3HD1 LEU 15 3.501 1.535 1.652 255 HD21 LEU 15 3HD2 LEU 15 1.158 1.641 0.273 256 HD22 LEU 15 1HD2 LEU 15 1.687 1.549 -1.406 257 HD23 LEU 15 2HD2 LEU 15 2.596 2.519 -0.248 258 H TYR 16 H TYR 16 5.190 -0.790 -3.733 259 HA TYR 16 HA TYR 16 7.762 0.423 -3.720 260 HD1 TYR 16 HD2 TYR 16 9.967 -0.612 -5.329 261 HD2 TYR 16 HD1 TYR 16 7.216 -3.183 -3.256 262 HE1 TYR 16 HE2 TYR 16 11.866 -1.694 -4.150 263 HE2 TYR 16 HE1 TYR 16 9.114 -4.265 -2.079 264 HH TYR 16 HH TYR 16 11.498 -4.594 -2.345 265 HB2 TYR 16 2HB TYR 16 6.447 -1.816 -5.040 266 HB3 TYR 16 1HB TYR 16 7.578 -1.007 -6.121 267 H LEU 17 H LEU 17 5.310 0.400 -6.319 268 HA LEU 17 HA LEU 17 6.740 2.264 -7.956 269 HG LEU 17 HG LEU 17 3.686 1.016 -6.712 270 HB2 LEU 17 2HB LEU 17 4.507 2.535 -9.128 271 HB3 LEU 17 1HB LEU 17 5.110 0.882 -9.019 272 HD11 LEU 17 1HD1 LEU 17 1.940 2.480 -6.760 273 HD12 LEU 17 2HD1 LEU 17 1.752 2.351 -8.508 274 HD13 LEU 17 3HD1 LEU 17 2.999 3.396 -7.831 275 HD21 LEU 17 3HD2 LEU 17 2.060 0.475 -9.136 276 HD22 LEU 17 1HD2 LEU 17 2.371 -0.555 -7.740 277 HD23 LEU 17 2HD2 LEU 17 3.581 -0.410 -9.015 278 H VAL 18 H VAL 18 4.196 2.801 -5.480 279 HA VAL 18 HA VAL 18 3.651 5.478 -6.100 280 HB VAL 18 HB VAL 18 3.378 5.832 -3.558 281 HG11 VAL 18 1HG1 VAL 18 1.301 4.479 -3.596 282 HG12 VAL 18 2HG1 VAL 18 1.881 3.672 -5.051 283 HG13 VAL 18 3HG1 VAL 18 1.531 5.400 -5.082 284 HG21 VAL 18 3HG2 VAL 18 3.040 3.576 -2.421 285 HG22 VAL 18 1HG2 VAL 18 4.709 4.080 -2.633 286 HG23 VAL 18 2HG2 VAL 18 4.006 2.890 -3.716 287 H CYS 19 H CYS 19 6.007 4.635 -3.525 288 HA CYS 19 HA CYS 19 7.247 7.234 -3.972 289 HB2 CYS 19 2HB CYS 19 7.648 5.108 -2.003 290 HB3 CYS 19 1HB CYS 19 9.143 5.848 -2.539 291 H GLY 20 H GLY 20 8.625 3.957 -4.091 292 HA2 GLY 20 2HA GLY 20 9.573 3.360 -6.424 293 HA3 GLY 20 1HA GLY 20 10.442 4.890 -6.271 294 H GLU 21 H GLU 21 12.536 3.964 -6.191 295 HA GLU 21 HA GLU 21 13.199 1.760 -4.449 296 HB2 GLU 21 2HB GLU 21 14.488 2.919 -6.512 297 HB3 GLU 21 1HB GLU 21 15.314 3.724 -5.176 298 HG2 GLU 21 2HG GLU 21 16.451 1.850 -4.641 299 HG3 GLU 21 1HG GLU 21 14.978 0.880 -4.659 300 H ARG 22 H ARG 22 12.501 5.013 -3.818 301 HA ARG 22 HA ARG 22 14.290 5.662 -1.725 302 HE ARG 22 HE ARG 22 13.228 10.050 -2.559 303 HB2 ARG 22 2HB ARG 22 11.349 6.368 -1.931 304 HB3 ARG 22 1HB ARG 22 12.543 7.199 -0.933 305 HG2 ARG 22 2HG ARG 22 13.752 7.961 -2.863 306 HG3 ARG 22 1HG ARG 22 12.815 6.920 -3.935 307 HD2 ARG 22 2HD ARG 22 11.556 8.786 -4.271 308 HD3 ARG 22 1HD ARG 22 10.826 8.352 -2.725 309 HH11 ARG 22 1HH2 ARG 22 10.526 9.548 -0.896 310 HH12 ARG 22 2HH2 ARG 22 9.914 11.168 -0.920 311 HH21 ARG 22 1HH1 ARG 22 12.135 12.257 -3.347 312 HH22 ARG 22 2HH1 ARG 22 10.826 12.702 -2.303 313 H GLY 23 H GLY 23 11.734 3.349 -1.835 314 HA2 GLY 23 2HA GLY 23 11.855 1.574 -0.078 315 HA3 GLY 23 1HA GLY 23 12.101 2.869 1.094 316 H PHE 24 H PHE 24 10.136 1.571 1.993 317 HA PHE 24 HA PHE 24 7.725 3.132 1.338 318 HD1 PHE 24 HD2 PHE 24 8.982 0.835 -1.351 319 HD2 PHE 24 HD1 PHE 24 7.880 -1.174 2.284 320 HE1 PHE 24 HE2 PHE 24 10.558 -1.001 -1.887 321 HE2 PHE 24 HE1 PHE 24 9.457 -3.014 1.745 322 HZ PHE 24 HZ PHE 24 10.796 -2.927 -0.342 323 HB2 PHE 24 2HB PHE 24 6.547 0.684 1.407 324 HB3 PHE 24 1HB PHE 24 6.994 1.499 -0.090 325 H PHE 25 H PHE 25 5.866 1.764 2.828 326 HA PHE 25 HA PHE 25 7.166 1.673 5.520 327 HD1 PHE 25 HD2 PHE 25 6.237 2.002 7.844 328 HD2 PHE 25 HD1 PHE 25 5.470 5.279 5.166 329 HE1 PHE 25 HE2 PHE 25 7.195 3.580 9.498 330 HE2 PHE 25 HE1 PHE 25 6.432 6.853 6.823 331 HZ PHE 25 HZ PHE 25 7.292 6.006 8.989 332 HB2 PHE 25 2HB PHE 25 4.859 3.121 4.523 333 HB3 PHE 25 1HB PHE 25 4.376 2.043 5.829 334 H TYR 26 H TYR 26 4.087 0.503 4.076 335 HA TYR 26 HA TYR 26 2.981 -1.543 4.445 336 HD1 TYR 26 HD1 TYR 26 2.447 -3.459 4.906 337 HD2 TYR 26 HD2 TYR 26 6.364 -4.787 3.728 338 HE1 TYR 26 HE1 TYR 26 1.833 -5.788 5.488 339 HE2 TYR 26 HE2 TYR 26 5.746 -7.113 4.311 340 HH TYR 26 HH TYR 26 3.637 -8.042 6.182 341 HB2 TYR 26 2HB TYR 26 4.639 -2.366 2.889 342 HB3 TYR 26 1HB TYR 26 5.877 -2.394 4.139 343 H THR 27 H THR 27 3.295 -0.133 6.784 344 HA THR 27 HA THR 27 4.605 -1.774 8.819 345 HB THR 27 HB THR 27 4.537 0.552 9.302 346 HG1 THR 27 HG1 THR 27 2.289 -0.209 10.767 347 HG21 THR 27 3HG2 THR 27 2.982 1.722 8.147 348 HG22 THR 27 1HG2 THR 27 1.896 1.357 9.488 349 HG23 THR 27 2HG2 THR 27 1.897 0.335 8.051 350 H LYS 28 H LYS 28 3.636 -3.275 10.149 351 HA LYS 28 HA LYS 28 0.699 -3.720 9.772 352 HB2 LYS 28 2HB LYS 28 2.401 -5.458 8.806 353 HB3 LYS 28 1HB LYS 28 2.614 -5.932 10.492 354 HG2 LYS 28 2HG LYS 28 -0.166 -5.652 9.392 355 HG3 LYS 28 1HG LYS 28 0.764 -7.105 9.023 356 HD2 LYS 28 2HD LYS 28 0.390 -6.062 11.841 357 HD3 LYS 28 1HD LYS 28 -0.680 -7.258 11.108 358 HE2 LYS 28 2HE LYS 28 2.269 -7.521 11.706 359 HE3 LYS 28 1HE LYS 28 0.946 -8.533 12.287 360 HZ1 LYS 28 3HZ LYS 28 1.834 -9.782 10.584 361 HZ2 LYS 28 1HZ LYS 28 2.170 -8.435 9.609 362 HZ3 LYS 28 2HZ LYS 28 0.568 -8.975 9.792 363 HA PRO 29 HA PRO 29 1.363 -2.868 14.182 364 HB2 PRO 29 2HB PRO 29 -1.059 -1.611 14.505 365 HB3 PRO 29 1HB PRO 29 0.412 -0.788 13.957 366 HG2 PRO 29 2HG PRO 29 -1.970 -1.636 12.369 367 HG3 PRO 29 1HG PRO 29 -0.842 -0.300 12.076 368 HD2 PRO 29 2HD PRO 29 -0.814 -2.784 10.743 369 HD3 PRO 29 1HD PRO 29 0.511 -1.603 10.755 370 H THR 30 H THR 30 0.529 -4.037 15.945 371 HA THR 30 HA THR 30 -2.000 -5.526 15.615 372 HB THR 30 HB THR 30 -0.343 -7.054 14.657 373 HG1 THR 30 HG1 THR 30 -1.571 -8.398 15.689 374 HG21 THR 30 3HG2 THR 30 1.148 -7.397 17.181 375 HG22 THR 30 1HG2 THR 30 1.426 -5.860 16.364 376 HG23 THR 30 2HG2 THR 30 1.736 -7.375 15.518 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -4.215 -1.129 11.472 2 H2 GLY 1 2H GLY 1 -2.942 -0.647 12.488 3 H3 GLY 1 3H GLY 1 -2.946 -2.204 11.810 4 HA2 GLY 1 1HA GLY 1 -2.531 0.282 10.337 5 HA3 GLY 1 2HA GLY 1 -1.311 -1.005 10.573 6 H ILE 2 H ILE 2 -1.312 -0.772 8.162 7 HA ILE 2 HA ILE 2 -3.793 -0.247 6.665 8 HB ILE 2 HB ILE 2 -1.507 0.714 6.055 9 HG12 ILE 2 2HG1 ILE 2 -3.201 -0.844 4.088 10 HG13 ILE 2 1HG1 ILE 2 -3.265 0.883 4.442 11 HG21 ILE 2 1HG2 ILE 2 -0.034 -0.765 4.741 12 HG22 ILE 2 2HG2 ILE 2 -1.112 -2.124 5.061 13 HG23 ILE 2 3HG2 ILE 2 -0.225 -1.371 6.386 14 HD11 ILE 2 3HD1 ILE 2 -1.332 -0.637 2.754 15 HD12 ILE 2 1HD1 ILE 2 -0.703 0.734 3.668 16 HD13 ILE 2 2HD1 ILE 2 -2.013 0.972 2.511 17 H THR 3 H THR 3 -1.661 -2.955 7.385 18 HA THR 3 HA THR 3 -2.520 -4.777 5.398 19 HB THR 3 HB THR 3 -1.667 -5.246 8.266 20 HG1 THR 3 HG1 THR 3 -0.424 -5.346 5.731 21 HG21 THR 3 3HG2 THR 3 -2.380 -7.174 6.060 22 HG22 THR 3 1HG2 THR 3 -2.898 -7.193 7.745 23 HG23 THR 3 2HG2 THR 3 -1.238 -7.620 7.329 24 H GLU 4 H GLU 4 -4.149 -3.565 8.204 25 HA GLU 4 HA GLU 4 -6.305 -5.597 7.906 26 HB2 GLU 4 2HB GLU 4 -5.219 -4.100 10.128 27 HB3 GLU 4 1HB GLU 4 -6.948 -3.788 9.978 28 HG2 GLU 4 2HG GLU 4 -7.084 -5.725 11.200 29 HG3 GLU 4 1HG GLU 4 -6.962 -6.454 9.598 30 H GLN 5 H GLN 5 -6.012 -3.702 5.819 31 HA GLN 5 HA GLN 5 -8.685 -2.589 5.775 32 HB2 GLN 5 2HB GLN 5 -7.142 -0.968 7.195 33 HB3 GLN 5 1HB GLN 5 -6.574 -0.463 5.603 34 HG2 GLN 5 2HG GLN 5 -8.460 0.705 5.222 35 HG3 GLN 5 1HG GLN 5 -9.469 -0.677 5.653 36 HE21 GLN 5 1HE2 GLN 5 -7.617 2.031 7.117 37 HE22 GLN 5 2HE2 GLN 5 -8.550 2.106 8.533 38 H CYS 6 H CYS 6 -5.414 -2.632 4.419 39 HA CYS 6 HA CYS 6 -6.494 -2.053 1.726 40 HB2 CYS 6 2HB CYS 6 -3.744 -2.208 2.925 41 HB3 CYS 6 1HB CYS 6 -3.929 -2.380 1.187 42 H CYS 7 H CYS 7 -6.319 -4.710 3.611 43 HA CYS 7 HA CYS 7 -5.853 -6.458 1.233 44 HB2 CYS 7 2HB CYS 7 -4.044 -6.739 2.885 45 HB3 CYS 7 1HB CYS 7 -5.228 -7.090 4.132 46 H THR 8 H THR 8 -7.911 -5.625 3.904 47 HA THR 8 HA THR 8 -9.571 -8.027 3.680 48 HB THR 8 HB THR 8 -9.575 -6.934 5.821 49 HG1 THR 8 HG1 THR 8 -11.783 -6.416 6.008 50 HG21 THR 8 3HG2 THR 8 -8.824 -4.745 5.348 51 HG22 THR 8 1HG2 THR 8 -10.482 -4.516 5.907 52 HG23 THR 8 2HG2 THR 8 -10.116 -4.462 4.183 53 H SER 9 H SER 9 -9.094 -5.374 1.735 54 HA SER 9 HA SER 9 -11.422 -5.947 0.109 55 HG SER 9 HG SER 9 -13.543 -3.363 0.473 56 HB2 SER 9 2HB SER 9 -12.429 -4.524 1.906 57 HB3 SER 9 1HB SER 9 -11.299 -3.241 1.482 58 H ILE 10 H ILE 10 -11.137 -2.904 -0.719 59 HA ILE 10 HA ILE 10 -8.542 -3.275 -2.153 60 HB ILE 10 HB ILE 10 -11.124 -2.080 -3.191 61 HG12 ILE 10 2HG1 ILE 10 -9.606 -4.275 -4.532 62 HG13 ILE 10 1HG1 ILE 10 -10.506 -4.686 -3.070 63 HG21 ILE 10 1HG2 ILE 10 -8.574 -1.238 -3.818 64 HG22 ILE 10 2HG2 ILE 10 -9.968 -1.106 -4.889 65 HG23 ILE 10 3HG2 ILE 10 -8.868 -2.474 -5.041 66 HD11 ILE 10 3HD1 ILE 10 -11.501 -4.134 -5.738 67 HD12 ILE 10 1HD1 ILE 10 -12.240 -3.058 -4.551 68 HD13 ILE 10 2HD1 ILE 10 -12.352 -4.806 -4.347 69 H CYS 11 H CYS 11 -7.206 -1.437 -2.251 70 HA CYS 11 HA CYS 11 -8.151 0.872 -0.609 71 HB2 CYS 11 2HB CYS 11 -5.520 -0.457 -0.984 72 HB3 CYS 11 1HB CYS 11 -5.484 1.301 -0.839 73 H SER 12 H SER 12 -6.652 2.935 -1.407 74 HA SER 12 HA SER 12 -7.163 3.143 -4.351 75 HG SER 12 HG SER 12 -7.139 4.817 -1.301 76 HB2 SER 12 2HB SER 12 -7.726 5.502 -3.979 77 HB3 SER 12 1HB SER 12 -8.764 4.465 -3.004 78 H LEU 13 H LEU 13 -5.438 3.702 -5.560 79 HA LEU 13 HA LEU 13 -2.807 3.859 -4.660 80 HG LEU 13 HG LEU 13 -2.093 5.633 -8.017 81 HB2 LEU 13 2HB LEU 13 -2.897 3.721 -6.945 82 HB3 LEU 13 1HB LEU 13 -4.296 4.766 -7.063 83 HD11 LEU 13 1HD1 LEU 13 -2.813 7.736 -6.172 84 HD12 LEU 13 2HD1 LEU 13 -4.248 6.893 -6.759 85 HD13 LEU 13 3HD1 LEU 13 -3.121 7.620 -7.905 86 HD21 LEU 13 3HD2 LEU 13 -1.213 6.873 -5.602 87 HD22 LEU 13 1HD2 LEU 13 -0.301 5.845 -6.707 88 HD23 LEU 13 2HD2 LEU 13 -1.210 5.124 -5.378 89 H TYR 14 H TYR 14 -5.260 6.381 -4.856 90 HA TYR 14 HA TYR 14 -3.742 8.678 -4.330 91 HD1 TYR 14 HD1 TYR 14 -4.637 10.456 -5.277 92 HD2 TYR 14 HD2 TYR 14 -6.665 10.075 -1.508 93 HE1 TYR 14 HE1 TYR 14 -4.452 12.906 -4.930 94 HE2 TYR 14 HE2 TYR 14 -6.480 12.525 -1.161 95 HH TYR 14 HH TYR 14 -6.238 14.586 -2.709 96 HB2 TYR 14 2HB TYR 14 -6.339 8.417 -4.524 97 HB3 TYR 14 1HB TYR 14 -6.272 8.169 -2.779 98 H GLN 15 H GLN 15 -5.305 6.707 -1.838 99 HA GLN 15 HA GLN 15 -3.743 7.769 0.317 100 HB2 GLN 15 2HB GLN 15 -5.581 5.448 -0.051 101 HB3 GLN 15 1HB GLN 15 -4.522 5.450 1.359 102 HG2 GLN 15 2HG GLN 15 -6.475 7.640 0.585 103 HG3 GLN 15 1HG GLN 15 -6.653 6.513 1.931 104 HE21 GLN 15 1HE2 GLN 15 -6.189 9.603 1.756 105 HE22 GLN 15 2HE2 GLN 15 -4.916 9.864 2.847 106 H LEU 16 H LEU 16 -3.561 4.743 -1.488 107 HA LEU 16 HA LEU 16 -1.486 3.401 -0.307 108 HG LEU 16 HG LEU 16 -0.821 1.503 -1.518 109 HB2 LEU 16 2HB LEU 16 -2.630 3.489 -2.925 110 HB3 LEU 16 1HB LEU 16 -0.881 3.424 -3.097 111 HD11 LEU 16 1HD1 LEU 16 -3.394 2.370 -0.896 112 HD12 LEU 16 2HD1 LEU 16 -2.644 0.869 -0.351 113 HD13 LEU 16 3HD1 LEU 16 -3.656 0.876 -1.797 114 HD21 LEU 16 3HD2 LEU 16 -0.855 1.070 -3.916 115 HD22 LEU 16 1HD2 LEU 16 -2.611 1.228 -3.951 116 HD23 LEU 16 2HD2 LEU 16 -1.865 -0.127 -3.107 117 H GLU 17 H GLU 17 -1.181 6.290 -2.338 118 HA GLU 17 HA GLU 17 1.712 6.223 -2.331 119 HB2 GLU 17 2HB GLU 17 0.669 7.376 -4.143 120 HB3 GLU 17 1HB GLU 17 -0.301 8.364 -3.051 121 HG2 GLU 17 2HG GLU 17 2.555 8.583 -2.493 122 HG3 GLU 17 1HG GLU 17 2.157 9.072 -4.141 123 H ASN 18 H ASN 18 -0.732 7.581 -0.233 124 HA ASN 18 HA ASN 18 1.011 9.435 1.142 125 HB2 ASN 18 2HB ASN 18 -1.520 9.509 1.144 126 HB3 ASN 18 1HB ASN 18 -1.488 8.143 2.258 127 HD21 ASN 18 1HD2 ASN 18 -1.534 8.764 4.421 128 HD22 ASN 18 2HD2 ASN 18 -0.936 10.232 5.029 129 H TYR 19 H TYR 19 0.975 6.064 1.133 130 HA TYR 19 HA TYR 19 1.821 5.880 3.967 131 HD1 TYR 19 HD2 TYR 19 0.333 4.943 5.269 132 HD2 TYR 19 HD1 TYR 19 -0.864 3.424 1.433 133 HE1 TYR 19 HE2 TYR 19 -2.047 5.077 5.958 134 HE2 TYR 19 HE1 TYR 19 -3.244 3.558 2.121 135 HH TYR 19 HH TYR 19 -4.508 3.520 4.370 136 HB2 TYR 19 2HB TYR 19 1.399 3.734 1.867 137 HB3 TYR 19 1HB TYR 19 1.867 3.427 3.540 138 H CYS 20 H CYS 20 3.447 7.225 1.813 139 HA CYS 20 HA CYS 20 5.800 5.402 1.766 140 HB2 CYS 20 2HB CYS 20 4.843 6.861 -0.258 141 HB3 CYS 20 1HB CYS 20 5.917 8.060 0.424 142 H ASN 21 H ASN 21 7.891 6.949 1.785 143 HA ASN 21 HA ASN 21 7.723 8.461 4.362 144 HB2 ASN 21 2HB ASN 21 9.130 6.339 4.309 145 HB3 ASN 21 1HB ASN 21 10.201 7.180 3.188 146 HD21 ASN 21 1HD2 ASN 21 12.015 7.623 4.500 147 HD22 ASN 21 2HD2 ASN 21 11.941 8.476 5.966 148 HA PHE 1 HA PHE 1 -7.402 4.929 -11.063 149 HD1 PHE 1 HD1 PHE 1 -7.971 6.906 -10.910 150 HD2 PHE 1 HD2 PHE 1 -8.030 5.765 -6.766 151 HE1 PHE 1 HE1 PHE 1 -7.141 9.156 -10.279 152 HE2 PHE 1 HE2 PHE 1 -7.199 8.017 -6.137 153 HZ PHE 1 HZ PHE 1 -6.755 9.712 -7.893 154 H1 PHE 1 1H PHE 1 -8.966 5.935 -12.244 155 H2 PHE 1 2H PHE 1 -9.928 5.983 -10.844 156 H3 PHE 1 3H PHE 1 -10.093 4.702 -11.949 157 HB2 PHE 1 2HB PHE 1 -9.612 4.733 -9.010 158 HB3 PHE 1 1HB PHE 1 -8.009 4.060 -8.717 159 H VAL 2 H VAL 2 -7.055 2.611 -9.848 160 HA VAL 2 HA VAL 2 -8.570 0.634 -11.508 161 HB VAL 2 HB VAL 2 -6.272 0.742 -12.270 162 HG11 VAL 2 1HG1 VAL 2 -5.787 1.131 -9.428 163 HG12 VAL 2 2HG1 VAL 2 -4.731 1.487 -10.796 164 HG13 VAL 2 3HG1 VAL 2 -4.743 -0.129 -10.086 165 HG21 VAL 2 3HG2 VAL 2 -5.763 -1.636 -10.728 166 HG22 VAL 2 1HG2 VAL 2 -6.264 -1.508 -12.415 167 HG23 VAL 2 2HG2 VAL 2 -7.478 -1.568 -11.135 168 H ASN 3 H ASN 3 -9.747 -0.791 -10.317 169 HA ASN 3 HA ASN 3 -9.640 -0.826 -7.436 170 HB2 ASN 3 2HB ASN 3 -10.858 -2.897 -9.288 171 HB3 ASN 3 1HB ASN 3 -11.263 -2.633 -7.592 172 HD21 ASN 3 1HD2 ASN 3 -13.304 -2.433 -9.551 173 HD22 ASN 3 2HD2 ASN 3 -13.779 -0.809 -9.692 174 H GLN 4 H GLN 4 -7.850 -1.642 -6.408 175 HA GLN 4 HA GLN 4 -6.886 -4.310 -7.296 176 HB2 GLN 4 2HB GLN 4 -5.070 -3.240 -8.136 177 HB3 GLN 4 1HB GLN 4 -5.437 -1.749 -7.278 178 HG2 GLN 4 2HG GLN 4 -4.415 -4.078 -5.694 179 HG3 GLN 4 1HG GLN 4 -3.274 -3.182 -6.694 180 HE21 GLN 4 1HE2 GLN 4 -4.902 -3.157 -3.668 181 HE22 GLN 4 2HE2 GLN 4 -4.522 -1.566 -3.219 182 H HIS 5 H HIS 5 -6.308 -5.691 -5.636 183 HA HIS 5 HA HIS 5 -7.016 -4.812 -2.897 184 HD2 HIS 5 HD2 HIS 5 -9.580 -6.172 -4.511 185 HE1 HIS 5 HE1 HIS 5 -8.093 -8.976 -7.305 186 HE2 HIS 5 HE2 HIS 5 -10.058 -7.456 -6.725 187 HB2 HIS 5 2HB HIS 5 -6.060 -7.581 -3.275 188 HB3 HIS 5 1HB HIS 5 -7.525 -7.002 -2.488 189 H LEU 6 H LEU 6 -5.458 -5.442 -1.095 190 HA LEU 6 HA LEU 6 -2.637 -5.593 -2.009 191 HG LEU 6 HG LEU 6 -2.897 -2.501 -2.511 192 HB2 LEU 6 2HB LEU 6 -3.974 -3.340 -0.654 193 HB3 LEU 6 1HB LEU 6 -2.490 -3.860 0.112 194 HD11 LEU 6 1HD1 LEU 6 -1.682 -1.914 -0.136 195 HD12 LEU 6 2HD1 LEU 6 -1.301 -1.130 -1.668 196 HD13 LEU 6 3HD1 LEU 6 -0.312 -2.472 -1.096 197 HD21 LEU 6 3HD2 LEU 6 -1.901 -4.342 -3.556 198 HD22 LEU 6 1HD2 LEU 6 -1.023 -4.819 -2.103 199 HD23 LEU 6 2HD2 LEU 6 -0.473 -3.443 -3.045 200 H CYS 7 H CYS 7 -1.421 -6.920 -0.818 201 HA CYS 7 HA CYS 7 -2.007 -7.359 2.023 202 HB2 CYS 7 2HB CYS 7 -2.126 -9.727 0.116 203 HB3 CYS 7 1HB CYS 7 -2.377 -9.761 1.858 204 H GLY 8 H GLY 8 0.024 -7.343 2.881 205 HA2 GLY 8 2HA GLY 8 2.397 -7.432 2.912 206 HA3 GLY 8 1HA GLY 8 2.039 -9.135 2.666 207 H SER 9 H SER 9 2.945 -10.051 0.911 208 HA SER 9 HA SER 9 4.778 -8.916 -0.787 209 HG SER 9 HG SER 9 5.046 -12.128 -1.433 210 HB2 SER 9 2HB SER 9 3.152 -11.305 -0.836 211 HB3 SER 9 1HB SER 9 3.339 -10.669 -2.467 212 H ASP 10 H ASP 10 1.290 -9.177 -1.536 213 HA ASP 10 HA ASP 10 1.525 -7.553 -3.921 214 HB2 ASP 10 2HB ASP 10 -0.862 -8.304 -2.205 215 HB3 ASP 10 1HB ASP 10 -0.974 -7.485 -3.759 216 H LEU 11 H LEU 11 1.024 -6.986 -0.533 217 HA LEU 11 HA LEU 11 -0.002 -4.323 -0.630 218 HG LEU 11 HG LEU 11 1.855 -3.445 2.071 219 HB2 LEU 11 2HB LEU 11 -0.014 -5.702 1.408 220 HB3 LEU 11 1HB LEU 11 1.744 -5.694 1.444 221 HD11 LEU 11 1HD1 LEU 11 -0.385 -2.079 1.990 222 HD12 LEU 11 2HD1 LEU 11 -0.845 -3.284 0.788 223 HD13 LEU 11 3HD1 LEU 11 0.574 -2.271 0.524 224 HD21 LEU 11 3HD2 LEU 11 0.668 -3.397 4.056 225 HD22 LEU 11 1HD2 LEU 11 0.496 -5.103 3.641 226 HD23 LEU 11 2HD2 LEU 11 -0.816 -3.976 3.298 227 H VAL 12 H VAL 12 3.333 -5.579 -0.685 228 HA VAL 12 HA VAL 12 4.479 -2.898 -0.600 229 HB VAL 12 HB VAL 12 6.595 -4.164 -1.282 230 HG11 VAL 12 1HG1 VAL 12 5.287 -3.878 1.157 231 HG12 VAL 12 2HG1 VAL 12 6.966 -4.369 0.937 232 HG13 VAL 12 3HG1 VAL 12 5.705 -5.590 1.106 233 HG21 VAL 12 3HG2 VAL 12 5.185 -6.051 -2.298 234 HG22 VAL 12 1HG2 VAL 12 4.901 -6.583 -0.641 235 HG23 VAL 12 2HG2 VAL 12 6.542 -6.545 -1.287 236 H GLU 13 H GLU 13 3.675 -5.249 -3.124 237 HA GLU 13 HA GLU 13 5.023 -4.071 -5.300 238 HB2 GLU 13 2HB GLU 13 3.762 -6.206 -5.446 239 HB3 GLU 13 1HB GLU 13 2.250 -5.303 -5.334 240 HG2 GLU 13 2HG GLU 13 3.862 -4.096 -7.368 241 HG3 GLU 13 1HG GLU 13 3.802 -5.834 -7.667 242 H ALA 14 H ALA 14 1.697 -3.378 -4.160 243 HA ALA 14 HA ALA 14 1.226 -1.220 -5.971 244 HB1 ALA 14 3HB ALA 14 0.069 -1.467 -3.190 245 HB2 ALA 14 1HB ALA 14 -0.491 -2.437 -4.553 246 HB3 ALA 14 2HB ALA 14 -0.653 -0.685 -4.597 247 H LEU 15 H LEU 15 2.260 -1.154 -2.547 248 HA LEU 15 HA LEU 15 2.640 1.663 -2.405 249 HG LEU 15 HG LEU 15 1.801 -0.793 -0.532 250 HB2 LEU 15 2HB LEU 15 4.182 -0.504 -0.943 251 HB3 LEU 15 1HB LEU 15 4.096 1.193 -0.478 252 HD11 LEU 15 1HD1 LEU 15 3.276 0.713 1.634 253 HD12 LEU 15 2HD1 LEU 15 3.192 -1.035 1.412 254 HD13 LEU 15 3HD1 LEU 15 1.755 -0.138 1.904 255 HD21 LEU 15 3HD2 LEU 15 1.750 2.135 0.265 256 HD22 LEU 15 1HD2 LEU 15 0.380 1.029 0.187 257 HD23 LEU 15 2HD2 LEU 15 1.180 1.545 -1.296 258 H TYR 16 H TYR 16 4.628 -0.906 -3.724 259 HA TYR 16 HA TYR 16 7.123 0.449 -3.825 260 HD1 TYR 16 HD2 TYR 16 9.189 -0.068 -4.792 261 HD2 TYR 16 HD1 TYR 16 6.935 -3.605 -3.855 262 HE1 TYR 16 HE2 TYR 16 11.156 -1.008 -3.608 263 HE2 TYR 16 HE1 TYR 16 8.901 -4.544 -2.670 264 HH TYR 16 HH TYR 16 11.991 -3.363 -3.022 265 HB2 TYR 16 2HB TYR 16 5.913 -1.898 -5.055 266 HB3 TYR 16 1HB TYR 16 6.993 -1.059 -6.168 267 H LEU 17 H LEU 17 4.905 0.017 -6.603 268 HA LEU 17 HA LEU 17 6.099 1.889 -8.290 269 HG LEU 17 HG LEU 17 3.222 0.627 -6.804 270 HB2 LEU 17 2HB LEU 17 3.651 2.278 -9.153 271 HB3 LEU 17 1HB LEU 17 4.414 0.705 -9.356 272 HD11 LEU 17 1HD1 LEU 17 1.255 1.735 -6.858 273 HD12 LEU 17 2HD1 LEU 17 0.922 1.212 -8.509 274 HD13 LEU 17 3HD1 LEU 17 1.927 2.632 -8.220 275 HD21 LEU 17 3HD2 LEU 17 1.755 -0.487 -9.142 276 HD22 LEU 17 1HD2 LEU 17 2.270 -1.286 -7.657 277 HD23 LEU 17 2HD2 LEU 17 3.432 -0.995 -8.950 278 H VAL 18 H VAL 18 3.717 2.561 -5.704 279 HA VAL 18 HA VAL 18 3.583 5.383 -6.358 280 HB VAL 18 HB VAL 18 2.520 5.648 -4.144 281 HG11 VAL 18 1HG1 VAL 18 0.564 4.716 -4.838 282 HG12 VAL 18 2HG1 VAL 18 1.295 3.130 -5.093 283 HG13 VAL 18 3HG1 VAL 18 1.489 4.396 -6.305 284 HG21 VAL 18 3HG2 VAL 18 2.143 3.612 -2.768 285 HG22 VAL 18 1HG2 VAL 18 3.846 4.056 -2.861 286 HG23 VAL 18 2HG2 VAL 18 3.223 2.728 -3.840 287 H CYS 19 H CYS 19 5.277 3.523 -3.885 288 HA CYS 19 HA CYS 19 6.671 5.808 -2.802 289 HB2 CYS 19 2HB CYS 19 6.830 2.846 -2.504 290 HB3 CYS 19 1HB CYS 19 8.265 3.767 -2.070 291 H GLY 20 H GLY 20 7.867 3.051 -4.732 292 HA2 GLY 20 2HA GLY 20 9.513 3.022 -6.428 293 HA3 GLY 20 1HA GLY 20 9.544 4.789 -6.374 294 H GLU 21 H GLU 21 11.914 4.703 -6.345 295 HA GLU 21 HA GLU 21 13.296 3.340 -4.188 296 HB2 GLU 21 2HB GLU 21 14.085 4.446 -6.579 297 HB3 GLU 21 1HB GLU 21 14.685 5.628 -5.414 298 HG2 GLU 21 2HG GLU 21 16.427 4.003 -5.673 299 HG3 GLU 21 1HG GLU 21 15.668 3.671 -4.116 300 H ARG 22 H ARG 22 11.287 4.800 -2.991 301 HA ARG 22 HA ARG 22 12.808 6.965 -1.624 302 HE ARG 22 HE ARG 22 8.553 8.628 -3.950 303 HB2 ARG 22 2HB ARG 22 10.106 6.946 -2.795 304 HB3 ARG 22 1HB ARG 22 10.149 7.521 -1.127 305 HG2 ARG 22 2HG ARG 22 11.080 9.472 -1.760 306 HG3 ARG 22 1HG ARG 22 12.365 8.627 -2.625 307 HD2 ARG 22 2HD ARG 22 11.102 10.001 -4.201 308 HD3 ARG 22 1HD ARG 22 10.810 8.297 -4.546 309 HH11 ARG 22 1HH2 ARG 22 9.070 9.679 -1.198 310 HH12 ARG 22 2HH2 ARG 22 8.422 11.282 -1.290 311 HH21 ARG 22 1HH1 ARG 22 8.360 11.341 -4.758 312 HH22 ARG 22 2HH1 ARG 22 8.020 12.224 -3.308 313 H GLY 23 H GLY 23 11.372 3.922 -1.393 314 HA2 GLY 23 2HA GLY 23 11.368 2.531 0.535 315 HA3 GLY 23 1HA GLY 23 11.709 3.948 1.526 316 H PHE 24 H PHE 24 9.481 1.677 1.263 317 HA PHE 24 HA PHE 24 7.160 3.534 1.582 318 HD1 PHE 24 HD2 PHE 24 8.803 0.879 -0.840 319 HD2 PHE 24 HD1 PHE 24 6.448 -0.696 2.393 320 HE1 PHE 24 HE2 PHE 24 10.039 -1.267 -0.984 321 HE2 PHE 24 HE1 PHE 24 7.684 -2.843 2.246 322 HZ PHE 24 HZ PHE 24 9.479 -3.128 0.558 323 HB2 PHE 24 2HB PHE 24 5.817 1.357 1.314 324 HB3 PHE 24 1HB PHE 24 6.654 1.929 -0.123 325 H PHE 25 H PHE 25 5.455 2.397 3.177 326 HA PHE 25 HA PHE 25 6.995 1.903 5.670 327 HD1 PHE 25 HD2 PHE 25 6.161 1.368 7.866 328 HD2 PHE 25 HD1 PHE 25 5.011 5.320 6.624 329 HE1 PHE 25 HE2 PHE 25 7.034 2.291 9.995 330 HE2 PHE 25 HE1 PHE 25 5.886 6.240 8.752 331 HZ PHE 25 HZ PHE 25 6.896 4.728 10.438 332 HB2 PHE 25 2HB PHE 25 4.783 3.529 5.120 333 HB3 PHE 25 1HB PHE 25 4.102 2.157 5.992 334 H TYR 26 H TYR 26 3.819 0.710 4.433 335 HA TYR 26 HA TYR 26 2.876 -1.440 4.668 336 HD1 TYR 26 HD1 TYR 26 2.508 -3.556 4.910 337 HD2 TYR 26 HD2 TYR 26 6.642 -4.285 3.969 338 HE1 TYR 26 HE1 TYR 26 2.222 -5.944 5.501 339 HE2 TYR 26 HE2 TYR 26 6.348 -6.671 4.558 340 HH TYR 26 HH TYR 26 4.487 -8.317 4.684 341 HB2 TYR 26 2HB TYR 26 4.469 -2.143 3.025 342 HB3 TYR 26 1HB TYR 26 5.803 -2.023 4.158 343 H THR 27 H THR 27 2.751 -0.391 7.038 344 HA THR 27 HA THR 27 4.513 -1.608 9.012 345 HB THR 27 HB THR 27 3.612 0.537 9.556 346 HG1 THR 27 HG1 THR 27 1.866 -0.520 11.224 347 HG21 THR 27 3HG2 THR 27 0.937 0.498 9.836 348 HG22 THR 27 1HG2 THR 27 1.094 -0.686 8.537 349 HG23 THR 27 2HG2 THR 27 1.719 0.949 8.321 350 H LYS 28 H LYS 28 3.745 -3.017 10.741 351 HA LYS 28 HA LYS 28 1.242 -4.476 10.455 352 HB2 LYS 28 2HB LYS 28 3.535 -5.407 9.008 353 HB3 LYS 28 1HB LYS 28 3.218 -6.536 10.324 354 HG2 LYS 28 2HG LYS 28 0.718 -6.311 9.529 355 HG3 LYS 28 1HG LYS 28 1.454 -5.776 8.017 356 HD2 LYS 28 2HD LYS 28 2.103 -7.871 7.488 357 HD3 LYS 28 1HD LYS 28 2.783 -8.136 9.094 358 HE2 LYS 28 2HE LYS 28 0.898 -9.153 9.870 359 HE3 LYS 28 1HE LYS 28 -0.172 -8.073 8.977 360 HZ1 LYS 28 3HZ LYS 28 0.606 -9.296 6.929 361 HZ2 LYS 28 1HZ LYS 28 -0.405 -10.163 7.978 362 HZ3 LYS 28 2HZ LYS 28 1.268 -10.457 7.977 363 HA PRO 29 HA PRO 29 3.056 -4.379 14.642 364 HB2 PRO 29 2HB PRO 29 0.677 -3.758 15.876 365 HB3 PRO 29 1HB PRO 29 1.795 -2.548 15.223 366 HG2 PRO 29 2HG PRO 29 -0.801 -3.507 14.100 367 HG3 PRO 29 1HG PRO 29 -0.005 -1.936 13.904 368 HD2 PRO 29 2HD PRO 29 -0.017 -4.009 11.998 369 HD3 PRO 29 1HD PRO 29 1.078 -2.613 11.996 370 H THR 30 H THR 30 3.334 -6.410 15.460 371 HA THR 30 HA THR 30 1.032 -8.306 15.381 372 HB THR 30 HB THR 30 2.882 -9.311 14.301 373 HG1 THR 30 HG1 THR 30 1.989 -10.320 16.426 374 HG21 THR 30 3HG2 THR 30 4.739 -7.988 14.645 375 HG22 THR 30 1HG2 THR 30 5.132 -9.320 15.731 376 HG23 THR 30 2HG2 THR 30 4.439 -7.833 16.376 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -0.695 -0.044 10.694 2 H2 GLY 1 2H GLY 1 -0.876 -1.666 10.225 3 H3 GLY 1 3H GLY 1 -1.067 -1.225 11.854 4 HA2 GLY 1 1HA GLY 1 -3.210 -1.525 10.659 5 HA3 GLY 1 2HA GLY 1 -3.060 0.086 11.427 6 H ILE 2 H ILE 2 -1.585 -1.480 8.504 7 HA ILE 2 HA ILE 2 -3.750 -0.346 6.802 8 HB ILE 2 HB ILE 2 -1.282 0.287 6.468 9 HG12 ILE 2 2HG1 ILE 2 -3.132 -0.776 4.340 10 HG13 ILE 2 1HG1 ILE 2 -2.817 0.902 4.776 11 HG21 ILE 2 1HG2 ILE 2 -0.399 -2.029 6.683 12 HG22 ILE 2 2HG2 ILE 2 0.059 -1.275 5.156 13 HG23 ILE 2 3HG2 ILE 2 -1.243 -2.464 5.196 14 HD11 ILE 2 3HD1 ILE 2 -1.576 0.691 2.810 15 HD12 ILE 2 1HD1 ILE 2 -1.136 -0.980 3.152 16 HD13 ILE 2 2HD1 ILE 2 -0.358 0.332 4.034 17 H THR 3 H THR 3 -1.738 -3.286 7.123 18 HA THR 3 HA THR 3 -2.880 -4.867 5.148 19 HB THR 3 HB THR 3 -2.135 -5.714 7.964 20 HG1 THR 3 HG1 THR 3 -0.753 -5.140 5.647 21 HG21 THR 3 3HG2 THR 3 -2.645 -7.310 5.444 22 HG22 THR 3 1HG2 THR 3 -3.510 -7.431 6.976 23 HG23 THR 3 2HG2 THR 3 -1.832 -7.963 6.866 24 H GLU 4 H GLU 4 -4.392 -3.696 8.046 25 HA GLU 4 HA GLU 4 -6.665 -5.577 7.742 26 HB2 GLU 4 2HB GLU 4 -5.707 -5.060 10.011 27 HB3 GLU 4 1HB GLU 4 -6.272 -3.401 9.812 28 HG2 GLU 4 2HG GLU 4 -8.478 -3.974 10.075 29 HG3 GLU 4 1HG GLU 4 -8.264 -5.554 9.319 30 H GLN 5 H GLN 5 -6.140 -3.512 5.718 31 HA GLN 5 HA GLN 5 -8.843 -2.456 5.523 32 HB2 GLN 5 2HB GLN 5 -7.407 -0.829 7.063 33 HB3 GLN 5 1HB GLN 5 -6.760 -0.294 5.510 34 HG2 GLN 5 2HG GLN 5 -8.577 1.053 5.411 35 HG3 GLN 5 1HG GLN 5 -9.475 -0.414 5.018 36 HE21 GLN 5 1HE2 GLN 5 -9.126 2.093 7.362 37 HE22 GLN 5 2HE2 GLN 5 -10.139 1.425 8.550 38 H CYS 6 H CYS 6 -5.481 -2.055 4.412 39 HA CYS 6 HA CYS 6 -6.309 -1.549 1.664 40 HB2 CYS 6 2HB CYS 6 -3.664 -2.067 3.016 41 HB3 CYS 6 1HB CYS 6 -3.786 -1.994 1.265 42 H CYS 7 H CYS 7 -6.241 -4.283 3.567 43 HA CYS 7 HA CYS 7 -5.962 -6.003 1.143 44 HB2 CYS 7 2HB CYS 7 -4.133 -6.414 2.729 45 HB3 CYS 7 1HB CYS 7 -5.292 -6.694 4.017 46 H THR 8 H THR 8 -7.524 -5.860 4.381 47 HA THR 8 HA THR 8 -9.509 -7.823 3.862 48 HB THR 8 HB THR 8 -10.805 -6.770 5.632 49 HG1 THR 8 HG1 THR 8 -9.099 -4.558 5.161 50 HG21 THR 8 3HG2 THR 8 -8.489 -7.842 6.104 51 HG22 THR 8 1HG2 THR 8 -9.233 -6.875 7.375 52 HG23 THR 8 2HG2 THR 8 -7.949 -6.185 6.382 53 H SER 9 H SER 9 -9.048 -4.631 2.654 54 HA SER 9 HA SER 9 -11.486 -4.910 0.981 55 HG SER 9 HG SER 9 -12.686 -3.156 3.589 56 HB2 SER 9 2HB SER 9 -10.796 -2.212 2.097 57 HB3 SER 9 1HB SER 9 -12.352 -2.818 1.538 58 H ILE 10 H ILE 10 -11.022 -2.210 -0.140 59 HA ILE 10 HA ILE 10 -8.440 -2.776 -1.542 60 HB ILE 10 HB ILE 10 -11.032 -1.619 -2.582 61 HG12 ILE 10 2HG1 ILE 10 -9.435 -3.789 -3.880 62 HG13 ILE 10 1HG1 ILE 10 -10.326 -4.188 -2.411 63 HG21 ILE 10 1HG2 ILE 10 -9.552 -0.240 -3.716 64 HG22 ILE 10 2HG2 ILE 10 -9.516 -1.651 -4.774 65 HG23 ILE 10 3HG2 ILE 10 -8.225 -1.395 -3.599 66 HD11 ILE 10 3HD1 ILE 10 -12.179 -4.391 -3.666 67 HD12 ILE 10 1HD1 ILE 10 -11.334 -3.782 -5.089 68 HD13 ILE 10 2HD1 ILE 10 -12.097 -2.654 -3.968 69 H CYS 11 H CYS 11 -6.985 -1.080 -1.730 70 HA CYS 11 HA CYS 11 -7.739 1.412 -0.275 71 HB2 CYS 11 2HB CYS 11 -5.247 -0.168 -0.548 72 HB3 CYS 11 1HB CYS 11 -5.039 1.584 -0.573 73 H SER 12 H SER 12 -6.385 3.375 -1.151 74 HA SER 12 HA SER 12 -6.658 3.385 -4.132 75 HG SER 12 HG SER 12 -8.407 5.774 -1.629 76 HB2 SER 12 2HB SER 12 -6.750 6.014 -3.455 77 HB3 SER 12 1HB SER 12 -8.182 5.003 -3.627 78 H LEU 13 H LEU 13 -4.655 3.122 -4.893 79 HA LEU 13 HA LEU 13 -2.137 3.431 -4.002 80 HG LEU 13 HG LEU 13 -3.670 2.346 -6.261 81 HB2 LEU 13 2HB LEU 13 -2.413 5.083 -6.418 82 HB3 LEU 13 1HB LEU 13 -1.453 3.639 -6.152 83 HD11 LEU 13 1HD1 LEU 13 -4.608 5.045 -6.525 84 HD12 LEU 13 2HD1 LEU 13 -5.556 3.557 -6.505 85 HD13 LEU 13 3HD1 LEU 13 -4.942 4.192 -8.032 86 HD21 LEU 13 3HD2 LEU 13 -2.922 3.791 -8.796 87 HD22 LEU 13 1HD2 LEU 13 -3.446 2.118 -8.605 88 HD23 LEU 13 2HD2 LEU 13 -1.846 2.611 -8.048 89 H TYR 14 H TYR 14 -4.121 6.150 -5.052 90 HA TYR 14 HA TYR 14 -2.346 8.267 -4.571 91 HD1 TYR 14 HD1 TYR 14 -2.997 10.901 -4.855 92 HD2 TYR 14 HD2 TYR 14 -6.193 9.201 -2.543 93 HE1 TYR 14 HE1 TYR 14 -3.210 13.024 -3.587 94 HE2 TYR 14 HE2 TYR 14 -6.410 11.321 -1.274 95 HH TYR 14 HH TYR 14 -5.084 14.200 -2.277 96 HB2 TYR 14 2HB TYR 14 -4.375 8.843 -5.599 97 HB3 TYR 14 1HB TYR 14 -5.332 8.012 -4.375 98 H GLN 15 H GLN 15 -4.747 6.990 -2.271 99 HA GLN 15 HA GLN 15 -3.474 8.351 -0.021 100 HB2 GLN 15 2HB GLN 15 -5.810 6.573 -0.419 101 HB3 GLN 15 1HB GLN 15 -4.992 6.382 1.128 102 HG2 GLN 15 2HG GLN 15 -6.059 8.981 -0.013 103 HG3 GLN 15 1HG GLN 15 -6.731 8.083 1.349 104 HE21 GLN 15 1HE2 GLN 15 -5.900 10.743 1.782 105 HE22 GLN 15 2HE2 GLN 15 -4.494 10.746 2.734 106 H LEU 16 H LEU 16 -3.429 5.237 -1.552 107 HA LEU 16 HA LEU 16 -2.040 3.681 0.366 108 HG LEU 16 HG LEU 16 -3.041 1.776 -0.380 109 HB2 LEU 16 2HB LEU 16 -2.913 3.414 -2.299 110 HB3 LEU 16 1HB LEU 16 -1.176 3.125 -2.349 111 HD11 LEU 16 1HD1 LEU 16 -1.834 0.629 -2.917 112 HD12 LEU 16 2HD1 LEU 16 -3.506 1.173 -2.786 113 HD13 LEU 16 3HD1 LEU 16 -2.940 -0.181 -1.808 114 HD21 LEU 16 3HD2 LEU 16 -1.179 0.786 0.443 115 HD22 LEU 16 1HD2 LEU 16 -0.313 2.106 -0.343 116 HD23 LEU 16 2HD2 LEU 16 -0.487 0.555 -1.162 117 H GLU 17 H GLU 17 -0.966 6.164 -1.841 118 HA GLU 17 HA GLU 17 1.865 5.560 -1.672 119 HB2 GLU 17 2HB GLU 17 1.111 6.834 -3.557 120 HB3 GLU 17 1HB GLU 17 0.314 8.015 -2.519 121 HG2 GLU 17 2HG GLU 17 2.440 8.811 -1.683 122 HG3 GLU 17 1HG GLU 17 3.305 7.519 -2.518 123 H ASN 18 H ASN 18 -0.378 7.130 0.410 124 HA ASN 18 HA ASN 18 1.404 8.944 1.742 125 HB2 ASN 18 2HB ASN 18 -1.203 8.733 1.864 126 HB3 ASN 18 1HB ASN 18 -0.873 7.578 3.156 127 HD21 ASN 18 1HD2 ASN 18 -1.857 9.173 4.690 128 HD22 ASN 18 2HD2 ASN 18 -0.945 10.508 5.207 129 H TYR 19 H TYR 19 1.447 5.573 1.650 130 HA TYR 19 HA TYR 19 2.531 5.348 4.401 131 HD1 TYR 19 HD2 TYR 19 0.984 3.995 5.843 132 HD2 TYR 19 HD1 TYR 19 -0.268 3.412 1.778 133 HE1 TYR 19 HE2 TYR 19 -1.385 4.191 6.546 134 HE2 TYR 19 HE1 TYR 19 -2.638 3.607 2.475 135 HH TYR 19 HH TYR 19 -3.507 4.411 5.826 136 HB2 TYR 19 2HB TYR 19 2.001 3.185 2.336 137 HB3 TYR 19 1HB TYR 19 2.474 2.923 4.013 138 H CYS 20 H CYS 20 4.021 6.810 2.334 139 HA CYS 20 HA CYS 20 6.329 4.971 1.897 140 HB2 CYS 20 2HB CYS 20 5.225 6.609 0.100 141 HB3 CYS 20 1HB CYS 20 6.355 7.744 0.802 142 H ASN 21 H ASN 21 8.423 6.594 1.853 143 HA ASN 21 HA ASN 21 8.765 7.321 4.678 144 HB2 ASN 21 2HB ASN 21 10.601 6.152 3.632 145 HB3 ASN 21 1HB ASN 21 10.654 7.316 2.307 146 HD21 ASN 21 1HD2 ASN 21 10.600 7.610 5.915 147 HD22 ASN 21 2HD2 ASN 21 11.917 8.680 5.986 148 HA PHE 1 HA PHE 1 -10.136 1.884 -12.521 149 HD1 PHE 1 HD1 PHE 1 -8.828 0.357 -12.889 150 HD2 PHE 1 HD2 PHE 1 -5.885 3.114 -11.402 151 HE1 PHE 1 HE1 PHE 1 -7.405 -1.546 -12.176 152 HE2 PHE 1 HE2 PHE 1 -4.462 1.210 -10.689 153 HZ PHE 1 HZ PHE 1 -5.222 -1.119 -11.075 154 H1 PHE 1 1H PHE 1 -10.013 4.785 -12.714 155 H2 PHE 1 2H PHE 1 -11.311 4.148 -11.823 156 H3 PHE 1 3H PHE 1 -11.085 3.692 -13.444 157 HB2 PHE 1 2HB PHE 1 -8.322 3.078 -13.704 158 HB3 PHE 1 1HB PHE 1 -7.919 3.937 -12.217 159 H VAL 2 H VAL 2 -11.175 1.358 -10.575 160 HA VAL 2 HA VAL 2 -9.645 2.030 -8.134 161 HB VAL 2 HB VAL 2 -11.440 3.757 -8.336 162 HG11 VAL 2 1HG1 VAL 2 -13.559 1.829 -7.647 163 HG12 VAL 2 2HG1 VAL 2 -12.965 1.692 -9.302 164 HG13 VAL 2 3HG1 VAL 2 -13.612 3.226 -8.722 165 HG21 VAL 2 3HG2 VAL 2 -11.591 3.750 -6.080 166 HG22 VAL 2 1HG2 VAL 2 -10.703 2.227 -6.134 167 HG23 VAL 2 2HG2 VAL 2 -12.466 2.219 -6.071 168 H ASN 3 H ASN 3 -9.122 -0.042 -7.603 169 HA ASN 3 HA ASN 3 -10.859 -1.805 -6.343 170 HB2 ASN 3 2HB ASN 3 -11.363 -1.794 -9.136 171 HB3 ASN 3 1HB ASN 3 -10.560 -3.319 -8.771 172 HD21 ASN 3 1HD2 ASN 3 -13.465 -1.397 -8.135 173 HD22 ASN 3 2HD2 ASN 3 -14.334 -2.639 -7.371 174 H GLN 4 H GLN 4 -8.238 -1.021 -6.053 175 HA GLN 4 HA GLN 4 -6.564 -3.267 -6.985 176 HB2 GLN 4 2HB GLN 4 -5.984 -0.673 -6.956 177 HB3 GLN 4 1HB GLN 4 -5.528 -1.012 -5.291 178 HG2 GLN 4 2HG GLN 4 -4.280 -1.969 -7.838 179 HG3 GLN 4 1HG GLN 4 -3.510 -1.391 -6.363 180 HE21 GLN 4 1HE2 GLN 4 -4.721 -4.243 -8.004 181 HE22 GLN 4 2HE2 GLN 4 -4.282 -5.361 -6.803 182 H HIS 5 H HIS 5 -6.781 -5.036 -5.680 183 HA HIS 5 HA HIS 5 -7.187 -4.781 -2.794 184 HD2 HIS 5 HD2 HIS 5 -9.304 -6.373 -1.716 185 HE1 HIS 5 HE1 HIS 5 -11.417 -6.962 -5.331 186 HE2 HIS 5 HE2 HIS 5 -11.651 -6.558 -2.823 187 HB2 HIS 5 2HB HIS 5 -6.731 -7.115 -4.665 188 HB3 HIS 5 1HB HIS 5 -6.759 -7.331 -2.916 189 H LEU 6 H LEU 6 -5.566 -4.781 -1.260 190 HA LEU 6 HA LEU 6 -2.787 -5.330 -2.212 191 HG LEU 6 HG LEU 6 -2.887 -2.194 -2.684 192 HB2 LEU 6 2HB LEU 6 -3.950 -3.005 -0.819 193 HB3 LEU 6 1HB LEU 6 -2.477 -3.613 -0.108 194 HD11 LEU 6 1HD1 LEU 6 -1.111 -1.002 -1.939 195 HD12 LEU 6 2HD1 LEU 6 -0.234 -2.435 -1.406 196 HD13 LEU 6 3HD1 LEU 6 -1.502 -1.746 -0.391 197 HD21 LEU 6 3HD2 LEU 6 -2.172 -4.180 -3.761 198 HD22 LEU 6 1HD2 LEU 6 -1.103 -4.625 -2.431 199 HD23 LEU 6 2HD2 LEU 6 -0.671 -3.296 -3.502 200 H CYS 7 H CYS 7 -1.673 -6.778 -1.091 201 HA CYS 7 HA CYS 7 -2.200 -7.197 1.771 202 HB2 CYS 7 2HB CYS 7 -2.570 -9.498 -0.184 203 HB3 CYS 7 1HB CYS 7 -2.737 -9.571 1.568 204 H GLY 8 H GLY 8 -0.127 -7.270 2.534 205 HA2 GLY 8 2HA GLY 8 2.210 -7.626 2.559 206 HA3 GLY 8 1HA GLY 8 1.711 -9.272 2.190 207 H SER 9 H SER 9 2.656 -10.109 0.437 208 HA SER 9 HA SER 9 4.495 -8.981 -1.240 209 HG SER 9 HG SER 9 4.831 -10.450 -3.265 210 HB2 SER 9 2HB SER 9 3.950 -11.341 -1.414 211 HB3 SER 9 1HB SER 9 2.337 -10.966 -2.012 212 H ASP 10 H ASP 10 1.011 -9.092 -2.031 213 HA ASP 10 HA ASP 10 1.277 -7.347 -4.315 214 HB2 ASP 10 2HB ASP 10 -1.082 -8.168 -2.601 215 HB3 ASP 10 1HB ASP 10 -1.239 -7.146 -4.026 216 H LEU 11 H LEU 11 0.747 -6.906 -0.904 217 HA LEU 11 HA LEU 11 -0.160 -4.211 -0.893 218 HG LEU 11 HG LEU 11 1.843 -3.598 1.783 219 HB2 LEU 11 2HB LEU 11 -0.317 -5.584 1.088 220 HB3 LEU 11 1HB LEU 11 1.423 -5.830 1.121 221 HD11 LEU 11 1HD1 LEU 11 -0.452 -2.172 1.944 222 HD12 LEU 11 2HD1 LEU 11 -0.796 -3.163 0.531 223 HD13 LEU 11 3HD1 LEU 11 0.623 -2.116 0.548 224 HD21 LEU 11 3HD2 LEU 11 0.601 -3.392 3.806 225 HD22 LEU 11 1HD2 LEU 11 0.657 -5.123 3.470 226 HD23 LEU 11 2HD2 LEU 11 -0.803 -4.201 3.108 227 H VAL 12 H VAL 12 3.161 -5.551 -0.845 228 HA VAL 12 HA VAL 12 4.345 -2.895 -0.676 229 HB VAL 12 HB VAL 12 6.465 -4.192 -1.368 230 HG11 VAL 12 1HG1 VAL 12 5.440 -3.624 1.014 231 HG12 VAL 12 2HG1 VAL 12 6.848 -4.674 0.861 232 HG13 VAL 12 3HG1 VAL 12 5.247 -5.376 1.094 233 HG21 VAL 12 3HG2 VAL 12 5.008 -6.080 -2.330 234 HG22 VAL 12 1HG2 VAL 12 4.745 -6.569 -0.656 235 HG23 VAL 12 2HG2 VAL 12 6.377 -6.563 -1.326 236 H GLU 13 H GLU 13 3.443 -5.097 -3.273 237 HA GLU 13 HA GLU 13 4.914 -3.913 -5.388 238 HB2 GLU 13 2HB GLU 13 3.544 -5.978 -5.640 239 HB3 GLU 13 1HB GLU 13 2.081 -5.002 -5.503 240 HG2 GLU 13 2HG GLU 13 3.128 -3.613 -7.457 241 HG3 GLU 13 1HG GLU 13 4.115 -5.051 -7.720 242 H ALA 14 H ALA 14 1.473 -3.265 -4.630 243 HA ALA 14 HA ALA 14 1.125 -0.958 -6.153 244 HB1 ALA 14 3HB ALA 14 -0.711 -1.994 -4.900 245 HB2 ALA 14 1HB ALA 14 -0.585 -0.291 -4.459 246 HB3 ALA 14 2HB ALA 14 0.043 -1.532 -3.374 247 H LEU 15 H LEU 15 2.747 -1.301 -3.041 248 HA LEU 15 HA LEU 15 3.110 1.584 -2.687 249 HG LEU 15 HG LEU 15 1.977 -0.644 -0.934 250 HB2 LEU 15 2HB LEU 15 4.461 -0.776 -1.319 251 HB3 LEU 15 1HB LEU 15 4.603 0.904 -0.814 252 HD11 LEU 15 1HD1 LEU 15 3.867 0.019 1.327 253 HD12 LEU 15 2HD1 LEU 15 3.269 -1.567 0.836 254 HD13 LEU 15 3HD1 LEU 15 2.175 -0.405 1.586 255 HD21 LEU 15 3HD2 LEU 15 1.649 1.765 -1.218 256 HD22 LEU 15 1HD2 LEU 15 2.761 2.110 0.107 257 HD23 LEU 15 2HD2 LEU 15 1.209 1.341 0.436 258 H TYR 16 H TYR 16 5.073 -1.130 -3.873 259 HA TYR 16 HA TYR 16 7.538 0.261 -4.107 260 HD1 TYR 16 HD2 TYR 16 9.768 -0.665 -5.335 261 HD2 TYR 16 HD1 TYR 16 7.203 -3.486 -3.352 262 HE1 TYR 16 HE2 TYR 16 11.696 -1.481 -4.007 263 HE2 TYR 16 HE1 TYR 16 9.134 -4.304 -2.023 264 HH TYR 16 HH TYR 16 11.766 -4.320 -2.430 265 HB2 TYR 16 2HB TYR 16 6.364 -2.212 -5.140 266 HB3 TYR 16 1HB TYR 16 7.480 -1.467 -6.285 267 H LEU 17 H LEU 17 4.597 0.664 -5.835 268 HA LEU 17 HA LEU 17 5.968 1.940 -8.138 269 HG LEU 17 HG LEU 17 3.424 -0.218 -7.048 270 HB2 LEU 17 2HB LEU 17 2.997 2.019 -7.878 271 HB3 LEU 17 1HB LEU 17 3.992 1.720 -9.303 272 HD11 LEU 17 1HD1 LEU 17 1.596 -0.091 -8.617 273 HD12 LEU 17 2HD1 LEU 17 2.491 -1.572 -8.955 274 HD13 LEU 17 3HD1 LEU 17 2.706 -0.156 -9.985 275 HD21 LEU 17 3HD2 LEU 17 4.709 -1.718 -8.864 276 HD22 LEU 17 1HD2 LEU 17 5.572 -0.877 -7.577 277 HD23 LEU 17 2HD2 LEU 17 5.499 -0.176 -9.194 278 H VAL 18 H VAL 18 3.737 2.746 -5.486 279 HA VAL 18 HA VAL 18 3.632 5.568 -6.133 280 HB VAL 18 HB VAL 18 2.639 5.805 -3.892 281 HG11 VAL 18 1HG1 VAL 18 1.050 3.593 -4.275 282 HG12 VAL 18 2HG1 VAL 18 1.755 3.825 -5.875 283 HG13 VAL 18 3HG1 VAL 18 0.846 5.132 -5.114 284 HG21 VAL 18 3HG2 VAL 18 3.699 3.012 -3.611 285 HG22 VAL 18 1HG2 VAL 18 2.346 3.561 -2.628 286 HG23 VAL 18 2HG2 VAL 18 3.905 4.378 -2.517 287 H CYS 19 H CYS 19 5.428 3.606 -3.852 288 HA CYS 19 HA CYS 19 6.876 5.769 -2.639 289 HB2 CYS 19 2HB CYS 19 6.981 2.802 -2.620 290 HB3 CYS 19 1HB CYS 19 8.490 3.621 -2.234 291 H GLY 20 H GLY 20 8.013 3.196 -4.841 292 HA2 GLY 20 2HA GLY 20 9.554 3.376 -6.641 293 HA3 GLY 20 1HA GLY 20 9.648 5.116 -6.346 294 H GLU 21 H GLU 21 12.034 4.878 -6.481 295 HA GLU 21 HA GLU 21 13.403 3.228 -4.522 296 HB2 GLU 21 2HB GLU 21 14.310 4.097 -6.796 297 HB3 GLU 21 1HB GLU 21 14.660 5.587 -5.916 298 HG2 GLU 21 2HG GLU 21 16.360 4.640 -4.732 299 HG3 GLU 21 1HG GLU 21 15.504 3.109 -4.545 300 H ARG 22 H ARG 22 11.554 4.751 -3.126 301 HA ARG 22 HA ARG 22 13.313 6.643 -1.643 302 HE ARG 22 HE ARG 22 11.648 10.641 -4.566 303 HB2 ARG 22 2HB ARG 22 10.431 6.839 -2.451 304 HB3 ARG 22 1HB ARG 22 10.923 7.552 -0.914 305 HG2 ARG 22 2HG ARG 22 12.462 9.025 -1.959 306 HG3 ARG 22 1HG ARG 22 12.431 8.114 -3.469 307 HD2 ARG 22 2HD ARG 22 9.794 8.743 -3.217 308 HD3 ARG 22 1HD ARG 22 10.536 10.150 -2.457 309 HH11 ARG 22 1HH2 ARG 22 10.507 7.478 -4.783 310 HH12 ARG 22 2HH2 ARG 22 9.922 7.619 -6.408 311 HH21 ARG 22 1HH1 ARG 22 10.464 11.040 -6.588 312 HH22 ARG 22 2HH1 ARG 22 9.900 9.636 -7.430 313 H GLY 23 H GLY 23 11.595 3.724 -1.607 314 HA2 GLY 23 2HA GLY 23 11.619 2.163 0.202 315 HA3 GLY 23 1HA GLY 23 12.067 3.472 1.295 316 H PHE 24 H PHE 24 9.841 1.373 1.317 317 HA PHE 24 HA PHE 24 7.536 3.260 1.625 318 HD1 PHE 24 HD2 PHE 24 8.752 1.133 -1.172 319 HD2 PHE 24 HD1 PHE 24 7.387 -1.183 2.182 320 HE1 PHE 24 HE2 PHE 24 10.198 -0.754 -1.885 321 HE2 PHE 24 HE1 PHE 24 8.832 -3.068 1.469 322 HZ PHE 24 HZ PHE 24 10.239 -2.853 -0.563 323 HB2 PHE 24 2HB PHE 24 6.305 0.872 1.621 324 HB3 PHE 24 1HB PHE 24 6.673 1.722 0.124 325 H PHE 25 H PHE 25 5.882 1.808 3.255 326 HA PHE 25 HA PHE 25 7.556 1.416 5.704 327 HD1 PHE 25 HD2 PHE 25 7.456 1.627 7.834 328 HD2 PHE 25 HD1 PHE 25 5.647 5.144 6.147 329 HE1 PHE 25 HE2 PHE 25 8.787 3.045 9.370 330 HE2 PHE 25 HE1 PHE 25 6.978 6.560 7.687 331 HZ PHE 25 HZ PHE 25 8.547 5.513 9.299 332 HB2 PHE 25 2HB PHE 25 5.190 3.041 5.201 333 HB3 PHE 25 1HB PHE 25 4.902 1.896 6.509 334 H TYR 26 H TYR 26 4.295 0.490 4.480 335 HA TYR 26 HA TYR 26 3.110 -1.522 4.829 336 HD1 TYR 26 HD1 TYR 26 2.326 -3.439 4.651 337 HD2 TYR 26 HD2 TYR 26 6.366 -4.860 4.257 338 HE1 TYR 26 HE1 TYR 26 1.561 -5.750 5.112 339 HE2 TYR 26 HE2 TYR 26 5.596 -7.169 4.719 340 HH TYR 26 HH TYR 26 2.442 -7.856 5.902 341 HB2 TYR 26 2HB TYR 26 4.654 -2.326 3.128 342 HB3 TYR 26 1HB TYR 26 5.929 -2.519 4.318 343 H THR 27 H THR 27 3.588 -0.279 7.215 344 HA THR 27 HA THR 27 5.012 -2.043 9.058 345 HB THR 27 HB THR 27 4.687 -0.388 10.625 346 HG1 THR 27 HG1 THR 27 2.212 0.290 9.428 347 HG21 THR 27 3HG2 THR 27 3.715 1.520 8.598 348 HG22 THR 27 1HG2 THR 27 5.126 0.587 8.101 349 HG23 THR 27 2HG2 THR 27 5.187 1.561 9.570 350 H LYS 28 H LYS 28 3.980 -3.242 10.789 351 HA LYS 28 HA LYS 28 1.087 -3.795 10.346 352 HB2 LYS 28 2HB LYS 28 2.697 -5.531 9.313 353 HB3 LYS 28 1HB LYS 28 3.048 -5.996 10.976 354 HG2 LYS 28 2HG LYS 28 0.559 -6.272 11.329 355 HG3 LYS 28 1HG LYS 28 0.356 -6.050 9.592 356 HD2 LYS 28 2HD LYS 28 2.243 -8.123 10.717 357 HD3 LYS 28 1HD LYS 28 0.537 -8.476 10.437 358 HE2 LYS 28 2HE LYS 28 0.995 -8.855 8.267 359 HE3 LYS 28 1HE LYS 28 1.512 -7.178 8.102 360 HZ1 LYS 28 3HZ LYS 28 3.611 -8.330 9.346 361 HZ2 LYS 28 1HZ LYS 28 3.503 -8.055 7.676 362 HZ3 LYS 28 2HZ LYS 28 3.092 -9.575 8.313 363 HA PRO 29 HA PRO 29 2.474 -3.560 14.892 364 HB2 PRO 29 2HB PRO 29 1.912 -0.939 15.471 365 HB3 PRO 29 1HB PRO 29 3.519 -1.503 14.979 366 HG2 PRO 29 2HG PRO 29 1.471 -0.023 13.378 367 HG3 PRO 29 1HG PRO 29 3.238 0.013 13.247 368 HD2 PRO 29 2HD PRO 29 1.534 -1.417 11.540 369 HD3 PRO 29 1HD PRO 29 3.272 -1.711 11.747 370 H THR 30 H THR 30 0.729 -4.408 16.001 371 HA THR 30 HA THR 30 -1.820 -2.906 16.018 372 HB THR 30 HB THR 30 -3.083 -5.044 15.532 373 HG1 THR 30 HG1 THR 30 -1.811 -6.715 15.587 374 HG21 THR 30 3HG2 THR 30 -3.211 -4.419 13.353 375 HG22 THR 30 1HG2 THR 30 -1.481 -4.638 13.093 376 HG23 THR 30 2HG2 THR 30 -2.082 -3.150 13.822 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -4.087 1.093 11.497 2 H2 GLY 1 2H GLY 1 -3.603 -0.168 12.526 3 H3 GLY 1 3H GLY 1 -4.960 -0.363 11.522 4 HA2 GLY 1 1HA GLY 1 -2.546 0.200 10.112 5 HA3 GLY 1 2HA GLY 1 -2.507 -1.376 10.963 6 H ILE 2 H ILE 2 -1.867 -1.141 8.388 7 HA ILE 2 HA ILE 2 -4.207 -0.553 6.641 8 HB ILE 2 HB ILE 2 -1.900 0.466 6.201 9 HG12 ILE 2 2HG1 ILE 2 -3.346 -1.202 4.126 10 HG13 ILE 2 1HG1 ILE 2 -3.556 0.517 4.459 11 HG21 ILE 2 1HG2 ILE 2 -0.676 -1.680 6.703 12 HG22 ILE 2 2HG2 ILE 2 -0.229 -0.941 5.166 13 HG23 ILE 2 3HG2 ILE 2 -1.314 -2.331 5.193 14 HD11 ILE 2 3HD1 ILE 2 -1.330 1.008 3.637 15 HD12 ILE 2 1HD1 ILE 2 -2.164 0.046 2.417 16 HD13 ILE 2 2HD1 ILE 2 -0.968 -0.708 3.469 17 H THR 3 H THR 3 -1.787 -3.080 7.316 18 HA THR 3 HA THR 3 -2.527 -5.046 5.505 19 HB THR 3 HB THR 3 -1.909 -5.435 8.450 20 HG1 THR 3 HG1 THR 3 -0.402 -5.025 6.136 21 HG21 THR 3 3HG2 THR 3 -0.967 -7.596 6.915 22 HG22 THR 3 1HG2 THR 3 -2.612 -7.303 6.353 23 HG23 THR 3 2HG2 THR 3 -2.307 -7.615 8.062 24 H GLU 4 H GLU 4 -4.296 -3.914 8.291 25 HA GLU 4 HA GLU 4 -6.370 -6.007 7.884 26 HB2 GLU 4 2HB GLU 4 -5.624 -5.588 10.204 27 HB3 GLU 4 1HB GLU 4 -6.107 -3.899 10.053 28 HG2 GLU 4 2HG GLU 4 -8.106 -4.590 10.869 29 HG3 GLU 4 1HG GLU 4 -8.384 -5.228 9.248 30 H GLN 5 H GLN 5 -6.406 -4.490 5.740 31 HA GLN 5 HA GLN 5 -8.987 -3.246 5.719 32 HB2 GLN 5 2HB GLN 5 -7.526 -1.499 6.937 33 HB3 GLN 5 1HB GLN 5 -6.729 -1.259 5.382 34 HG2 GLN 5 2HG GLN 5 -9.060 -0.904 4.397 35 HG3 GLN 5 1HG GLN 5 -9.640 -0.807 6.061 36 HE21 GLN 5 1HE2 GLN 5 -8.140 0.779 7.467 37 HE22 GLN 5 2HE2 GLN 5 -7.767 2.254 6.715 38 H CYS 6 H CYS 6 -5.799 -2.763 4.178 39 HA CYS 6 HA CYS 6 -6.908 -2.734 1.505 40 HB2 CYS 6 2HB CYS 6 -4.263 -2.522 2.765 41 HB3 CYS 6 1HB CYS 6 -4.240 -3.328 1.206 42 H CYS 7 H CYS 7 -5.836 -5.173 3.670 43 HA CYS 7 HA CYS 7 -5.724 -7.163 1.487 44 HB2 CYS 7 2HB CYS 7 -3.968 -7.189 3.164 45 HB3 CYS 7 1HB CYS 7 -5.152 -7.360 4.448 46 H THR 8 H THR 8 -7.849 -5.981 3.928 47 HA THR 8 HA THR 8 -9.611 -8.368 3.665 48 HB THR 8 HB THR 8 -9.617 -5.999 5.554 49 HG1 THR 8 HG1 THR 8 -9.521 -8.803 5.967 50 HG21 THR 8 3HG2 THR 8 -11.794 -7.880 4.790 51 HG22 THR 8 1HG2 THR 8 -11.897 -6.222 5.381 52 HG23 THR 8 2HG2 THR 8 -11.600 -7.543 6.510 53 H SER 9 H SER 9 -9.119 -5.189 2.524 54 HA SER 9 HA SER 9 -11.572 -5.337 0.898 55 HG SER 9 HG SER 9 -13.394 -3.203 1.408 56 HB2 SER 9 2HB SER 9 -12.297 -4.122 2.936 57 HB3 SER 9 1HB SER 9 -10.982 -2.973 2.713 58 H ILE 10 H ILE 10 -11.505 -3.086 -0.498 59 HA ILE 10 HA ILE 10 -8.712 -2.981 -1.533 60 HB ILE 10 HB ILE 10 -11.357 -2.226 -2.792 61 HG12 ILE 10 2HG1 ILE 10 -9.351 -4.327 -3.636 62 HG13 ILE 10 1HG1 ILE 10 -10.672 -4.682 -2.521 63 HG21 ILE 10 1HG2 ILE 10 -10.230 -1.039 -4.338 64 HG22 ILE 10 2HG2 ILE 10 -9.115 -2.378 -4.606 65 HG23 ILE 10 3HG2 ILE 10 -8.783 -1.196 -3.342 66 HD11 ILE 10 3HD1 ILE 10 -11.550 -3.207 -4.890 67 HD12 ILE 10 1HD1 ILE 10 -12.210 -4.678 -4.174 68 HD13 ILE 10 2HD1 ILE 10 -10.839 -4.774 -5.280 69 H CYS 11 H CYS 11 -7.573 -1.052 -1.520 70 HA CYS 11 HA CYS 11 -8.985 1.283 -0.294 71 HB2 CYS 11 2HB CYS 11 -5.992 1.078 -0.525 72 HB3 CYS 11 1HB CYS 11 -6.954 1.961 0.657 73 H SER 12 H SER 12 -7.660 3.421 -1.051 74 HA SER 12 HA SER 12 -7.727 3.325 -4.035 75 HG SER 12 HG SER 12 -8.854 6.314 -1.595 76 HB2 SER 12 2HB SER 12 -8.059 5.817 -3.841 77 HB3 SER 12 1HB SER 12 -9.365 4.864 -3.142 78 H LEU 13 H LEU 13 -5.818 3.574 -5.070 79 HA LEU 13 HA LEU 13 -3.303 3.670 -3.944 80 HG LEU 13 HG LEU 13 -5.371 5.473 -6.074 81 HB2 LEU 13 2HB LEU 13 -2.544 4.755 -6.070 82 HB3 LEU 13 1HB LEU 13 -3.588 3.358 -6.305 83 HD11 LEU 13 1HD1 LEU 13 -3.058 6.257 -7.864 84 HD12 LEU 13 2HD1 LEU 13 -3.479 7.048 -6.345 85 HD13 LEU 13 3HD1 LEU 13 -4.589 7.119 -7.713 86 HD21 LEU 13 3HD2 LEU 13 -5.817 5.011 -8.409 87 HD22 LEU 13 1HD2 LEU 13 -5.466 3.501 -7.568 88 HD23 LEU 13 2HD2 LEU 13 -4.235 4.251 -8.585 89 H TYR 14 H TYR 14 -5.511 6.279 -4.526 90 HA TYR 14 HA TYR 14 -4.058 8.589 -4.272 91 HD1 TYR 14 HD2 TYR 14 -5.698 10.535 -1.633 92 HD2 TYR 14 HD1 TYR 14 -6.379 9.858 -5.823 93 HE1 TYR 14 HE2 TYR 14 -5.692 12.985 -2.032 94 HE2 TYR 14 HE1 TYR 14 -6.373 12.307 -6.220 95 HH TYR 14 HH TYR 14 -6.439 14.328 -5.227 96 HB2 TYR 14 2HB TYR 14 -6.671 8.069 -4.204 97 HB3 TYR 14 1HB TYR 14 -6.430 8.334 -2.483 98 H GLN 15 H GLN 15 -5.425 7.020 -1.390 99 HA GLN 15 HA GLN 15 -3.537 8.345 0.378 100 HB2 GLN 15 2HB GLN 15 -4.596 7.139 2.133 101 HB3 GLN 15 1HB GLN 15 -5.865 7.507 0.974 102 HG2 GLN 15 2HG GLN 15 -5.698 5.264 0.018 103 HG3 GLN 15 1HG GLN 15 -4.357 4.885 1.100 104 HE21 GLN 15 1HE2 GLN 15 -7.849 5.715 1.108 105 HE22 GLN 15 2HE2 GLN 15 -8.174 4.988 2.607 106 H LEU 16 H LEU 16 -3.898 5.164 -1.015 107 HA LEU 16 HA LEU 16 -1.940 3.625 0.185 108 HG LEU 16 HG LEU 16 -2.067 1.325 -2.571 109 HB2 LEU 16 2HB LEU 16 -3.419 3.290 -2.015 110 HB3 LEU 16 1HB LEU 16 -1.919 3.778 -2.803 111 HD11 LEU 16 1HD1 LEU 16 0.023 2.305 -0.640 112 HD12 LEU 16 2HD1 LEU 16 0.109 2.725 -2.352 113 HD13 LEU 16 3HD1 LEU 16 0.154 1.035 -1.853 114 HD21 LEU 16 3HD2 LEU 16 -3.034 2.044 0.001 115 HD22 LEU 16 1HD2 LEU 16 -1.545 1.128 0.234 116 HD23 LEU 16 2HD2 LEU 16 -2.877 0.427 -0.687 117 H GLU 17 H GLU 17 -1.548 6.464 -1.801 118 HA GLU 17 HA GLU 17 1.271 6.038 -2.322 119 HB2 GLU 17 2HB GLU 17 0.180 7.375 -3.910 120 HB3 GLU 17 1HB GLU 17 -0.631 8.337 -2.678 121 HG2 GLU 17 2HG GLU 17 2.284 8.437 -2.442 122 HG3 GLU 17 1HG GLU 17 1.715 9.025 -4.003 123 H ASN 18 H ASN 18 -0.542 7.484 0.277 124 HA ASN 18 HA ASN 18 1.754 8.950 1.336 125 HB2 ASN 18 2HB ASN 18 -0.997 9.008 1.801 126 HB3 ASN 18 1HB ASN 18 -0.327 8.335 3.287 127 HD21 ASN 18 1HD2 ASN 18 1.846 9.624 3.957 128 HD22 ASN 18 2HD2 ASN 18 1.699 11.314 3.906 129 H TYR 19 H TYR 19 0.895 5.702 1.242 130 HA TYR 19 HA TYR 19 2.169 5.060 3.841 131 HD1 TYR 19 HD2 TYR 19 0.764 4.909 5.081 132 HD2 TYR 19 HD1 TYR 19 -1.412 2.892 1.977 133 HE1 TYR 19 HE2 TYR 19 -1.361 5.438 6.229 134 HE2 TYR 19 HE1 TYR 19 -3.539 3.417 3.120 135 HH TYR 19 HH TYR 19 -3.707 5.646 5.759 136 HB2 TYR 19 2HB TYR 19 0.899 3.291 1.730 137 HB3 TYR 19 1HB TYR 19 1.576 2.708 3.250 138 H CYS 20 H CYS 20 3.283 5.874 0.879 139 HA CYS 20 HA CYS 20 5.075 3.759 0.216 140 HB2 CYS 20 2HB CYS 20 6.060 5.226 -1.274 141 HB3 CYS 20 1HB CYS 20 4.497 5.953 -1.112 142 H ASN 21 H ASN 21 7.585 5.047 0.228 143 HA ASN 21 HA ASN 21 8.746 4.137 2.581 144 HB2 ASN 21 2HB ASN 21 10.691 5.075 1.796 145 HB3 ASN 21 1HB ASN 21 9.730 5.210 0.330 146 HD21 ASN 21 1HD2 ASN 21 11.925 6.982 1.821 147 HD22 ASN 21 2HD2 ASN 21 11.280 8.544 1.667 148 HA PHE 1 HA PHE 1 -11.361 3.723 -13.641 149 HD1 PHE 1 HD2 PHE 1 -10.557 6.942 -12.757 150 HD2 PHE 1 HD1 PHE 1 -8.063 4.159 -10.635 151 HE1 PHE 1 HE2 PHE 1 -10.338 8.562 -10.892 152 HE2 PHE 1 HE1 PHE 1 -7.843 5.780 -8.769 153 HZ PHE 1 HZ PHE 1 -8.981 7.981 -8.897 154 H1 PHE 1 1H PHE 1 -11.792 4.990 -11.654 155 H2 PHE 1 2H PHE 1 -10.844 3.931 -10.724 156 H3 PHE 1 3H PHE 1 -12.293 3.386 -11.425 157 HB2 PHE 1 2HB PHE 1 -8.591 3.816 -12.972 158 HB3 PHE 1 1HB PHE 1 -9.523 4.997 -13.888 159 H VAL 2 H VAL 2 -9.239 2.478 -11.029 160 HA VAL 2 HA VAL 2 -9.877 -0.276 -11.894 161 HB VAL 2 HB VAL 2 -7.110 0.946 -12.022 162 HG11 VAL 2 1HG1 VAL 2 -6.347 -1.420 -12.459 163 HG12 VAL 2 2HG1 VAL 2 -7.933 -1.970 -11.914 164 HG13 VAL 2 3HG1 VAL 2 -6.861 -1.124 -10.798 165 HG21 VAL 2 3HG2 VAL 2 -7.149 -0.047 -14.287 166 HG22 VAL 2 1HG2 VAL 2 -8.497 1.067 -14.061 167 HG23 VAL 2 2HG2 VAL 2 -8.770 -0.674 -13.982 168 H ASN 3 H ASN 3 -10.665 -0.840 -9.876 169 HA ASN 3 HA ASN 3 -9.862 0.012 -7.356 170 HB2 ASN 3 2HB ASN 3 -10.728 -2.759 -8.228 171 HB3 ASN 3 1HB ASN 3 -10.589 -2.263 -6.541 172 HD21 ASN 3 1HD2 ASN 3 -12.946 -2.506 -6.261 173 HD22 ASN 3 2HD2 ASN 3 -14.015 -1.354 -6.901 174 H GLN 4 H GLN 4 -8.405 -0.988 -5.746 175 HA GLN 4 HA GLN 4 -6.185 -2.562 -6.955 176 HB2 GLN 4 2HB GLN 4 -5.306 -0.351 -6.966 177 HB3 GLN 4 1HB GLN 4 -5.987 0.010 -5.380 178 HG2 GLN 4 2HG GLN 4 -3.621 -0.391 -5.100 179 HG3 GLN 4 1HG GLN 4 -4.488 -1.764 -4.413 180 HE21 GLN 4 1HE2 GLN 4 -1.704 -1.580 -5.694 181 HE22 GLN 4 2HE2 GLN 4 -1.713 -2.787 -6.887 182 H HIS 5 H HIS 5 -5.912 -4.376 -5.774 183 HA HIS 5 HA HIS 5 -6.864 -4.412 -2.956 184 HD2 HIS 5 HD2 HIS 5 -9.663 -6.797 -4.417 185 HE1 HIS 5 HE1 HIS 5 -8.413 -5.552 -8.259 186 HE2 HIS 5 HE2 HIS 5 -10.396 -6.338 -6.864 187 HB2 HIS 5 2HB HIS 5 -5.847 -6.857 -4.356 188 HB3 HIS 5 1HB HIS 5 -7.145 -6.705 -3.176 189 H LEU 6 H LEU 6 -5.390 -4.319 -1.336 190 HA LEU 6 HA LEU 6 -2.544 -4.948 -1.999 191 HG LEU 6 HG LEU 6 -2.547 -1.832 -2.257 192 HB2 LEU 6 2HB LEU 6 -3.827 -2.713 -0.546 193 HB3 LEU 6 1HB LEU 6 -2.452 -3.404 0.287 194 HD11 LEU 6 1HD1 LEU 6 -1.446 -1.596 0.308 195 HD12 LEU 6 2HD1 LEU 6 -1.129 -0.550 -1.076 196 HD13 LEU 6 3HD1 LEU 6 -0.069 -1.918 -0.746 197 HD21 LEU 6 3HD2 LEU 6 -0.128 -2.875 -2.621 198 HD22 LEU 6 1HD2 LEU 6 -1.544 -3.659 -3.319 199 HD23 LEU 6 2HD2 LEU 6 -0.841 -4.274 -1.824 200 H CYS 7 H CYS 7 -1.445 -6.349 -0.657 201 HA CYS 7 HA CYS 7 -2.236 -7.003 2.011 202 HB2 CYS 7 2HB CYS 7 -4.207 -7.976 0.862 203 HB3 CYS 7 1HB CYS 7 -3.139 -8.976 -0.118 204 H GLY 8 H GLY 8 -0.286 -7.647 2.804 205 HA2 GLY 8 2HA GLY 8 1.838 -8.636 2.921 206 HA3 GLY 8 1HA GLY 8 1.134 -9.929 1.954 207 H SER 9 H SER 9 2.608 -10.313 0.374 208 HA SER 9 HA SER 9 4.545 -8.716 -0.732 209 HG SER 9 HG SER 9 4.524 -11.810 -1.066 210 HB2 SER 9 2HB SER 9 2.937 -10.294 -2.689 211 HB3 SER 9 1HB SER 9 4.682 -10.239 -2.458 212 H ASP 10 H ASP 10 1.185 -8.884 -1.978 213 HA ASP 10 HA ASP 10 1.470 -6.882 -3.960 214 HB2 ASP 10 2HB ASP 10 -0.976 -7.469 -2.267 215 HB3 ASP 10 1HB ASP 10 -0.959 -6.687 -3.844 216 H LEU 11 H LEU 11 0.859 -6.673 -0.500 217 HA LEU 11 HA LEU 11 0.118 -3.980 -0.239 218 HG LEU 11 HG LEU 11 1.889 -3.424 2.645 219 HB2 LEU 11 2HB LEU 11 0.303 -5.709 1.603 220 HB3 LEU 11 1HB LEU 11 2.044 -5.453 1.584 221 HD11 LEU 11 1HD1 LEU 11 0.757 -2.246 0.865 222 HD12 LEU 11 2HD1 LEU 11 -0.081 -1.892 2.373 223 HD13 LEU 11 3HD1 LEU 11 -0.765 -3.054 1.237 224 HD21 LEU 11 3HD2 LEU 11 -0.904 -4.377 3.296 225 HD22 LEU 11 1HD2 LEU 11 0.194 -3.464 4.330 226 HD23 LEU 11 2HD2 LEU 11 0.541 -5.151 3.947 227 H VAL 12 H VAL 12 3.457 -5.280 -0.128 228 HA VAL 12 HA VAL 12 4.682 -2.689 -0.137 229 HB VAL 12 HB VAL 12 6.736 -3.939 -0.830 230 HG11 VAL 12 1HG1 VAL 12 5.338 -5.522 1.315 231 HG12 VAL 12 2HG1 VAL 12 5.696 -3.814 1.573 232 HG13 VAL 12 3HG1 VAL 12 7.008 -4.953 1.268 233 HG21 VAL 12 3HG2 VAL 12 5.375 -5.599 -2.218 234 HG22 VAL 12 1HG2 VAL 12 4.959 -6.382 -0.694 235 HG23 VAL 12 2HG2 VAL 12 6.643 -6.300 -1.211 236 H GLU 13 H GLU 13 3.557 -4.830 -2.698 237 HA GLU 13 HA GLU 13 4.878 -3.698 -4.918 238 HB2 GLU 13 2HB GLU 13 3.262 -5.694 -4.883 239 HB3 GLU 13 1HB GLU 13 1.960 -4.505 -4.960 240 HG2 GLU 13 2HG GLU 13 3.729 -3.662 -6.933 241 HG3 GLU 13 1HG GLU 13 3.759 -5.420 -7.073 242 H ALA 14 H ALA 14 1.725 -2.738 -3.520 243 HA ALA 14 HA ALA 14 1.358 -0.438 -5.174 244 HB1 ALA 14 3HB ALA 14 -0.290 0.258 -3.513 245 HB2 ALA 14 1HB ALA 14 0.383 -0.877 -2.346 246 HB3 ALA 14 2HB ALA 14 -0.432 -1.478 -3.790 247 H LEU 15 H LEU 15 2.657 -0.742 -1.880 248 HA LEU 15 HA LEU 15 3.359 1.992 -1.516 249 HG LEU 15 HG LEU 15 2.460 -0.424 0.597 250 HB2 LEU 15 2HB LEU 15 4.555 -0.541 -0.381 251 HB3 LEU 15 1HB LEU 15 5.013 1.069 0.153 252 HD11 LEU 15 1HD1 LEU 15 2.775 0.947 2.775 253 HD12 LEU 15 2HD1 LEU 15 4.374 1.310 2.130 254 HD13 LEU 15 3HD1 LEU 15 3.911 -0.362 2.443 255 HD21 LEU 15 3HD2 LEU 15 1.215 1.608 1.055 256 HD22 LEU 15 1HD2 LEU 15 1.808 1.716 -0.600 257 HD23 LEU 15 2HD2 LEU 15 2.616 2.612 0.686 258 H TYR 16 H TYR 16 4.928 -0.651 -3.177 259 HA TYR 16 HA TYR 16 7.547 0.492 -3.377 260 HD1 TYR 16 HD2 TYR 16 9.605 -0.500 -4.890 261 HD2 TYR 16 HD1 TYR 16 7.012 -3.226 -2.812 262 HE1 TYR 16 HE2 TYR 16 11.573 -1.526 -3.781 263 HE2 TYR 16 HE1 TYR 16 8.981 -4.252 -1.703 264 HH TYR 16 HH TYR 16 11.286 -4.444 -1.863 265 HB2 TYR 16 2HB TYR 16 6.119 -1.805 -4.458 266 HB3 TYR 16 1HB TYR 16 7.182 -1.077 -5.660 267 H LEU 17 H LEU 17 5.009 0.281 -5.918 268 HA LEU 17 HA LEU 17 6.354 2.023 -7.703 269 HG LEU 17 HG LEU 17 3.374 1.021 -6.160 270 HB2 LEU 17 2HB LEU 17 4.018 2.438 -8.663 271 HB3 LEU 17 1HB LEU 17 4.579 0.768 -8.625 272 HD11 LEU 17 1HD1 LEU 17 1.317 2.196 -7.955 273 HD12 LEU 17 2HD1 LEU 17 2.554 3.298 -7.349 274 HD13 LEU 17 3HD1 LEU 17 1.544 2.397 -6.218 275 HD21 LEU 17 3HD2 LEU 17 1.351 -0.005 -7.600 276 HD22 LEU 17 1HD2 LEU 17 2.832 -0.913 -7.297 277 HD23 LEU 17 2HD2 LEU 17 2.612 -0.071 -8.831 278 H VAL 18 H VAL 18 3.961 2.836 -5.149 279 HA VAL 18 HA VAL 18 3.651 5.543 -5.808 280 HB VAL 18 HB VAL 18 3.401 5.939 -3.279 281 HG11 VAL 18 1HG1 VAL 18 1.423 5.699 -4.500 282 HG12 VAL 18 2HG1 VAL 18 1.306 4.385 -3.328 283 HG13 VAL 18 3HG1 VAL 18 1.810 4.048 -4.985 284 HG21 VAL 18 3HG2 VAL 18 4.208 3.093 -3.403 285 HG22 VAL 18 1HG2 VAL 18 2.838 3.468 -2.368 286 HG23 VAL 18 2HG2 VAL 18 4.389 4.252 -2.090 287 H CYS 19 H CYS 19 5.838 4.765 -3.056 288 HA CYS 19 HA CYS 19 7.327 7.161 -3.763 289 HB2 CYS 19 2HB CYS 19 7.575 5.195 -1.592 290 HB3 CYS 19 1HB CYS 19 9.103 5.837 -2.159 291 H GLY 20 H GLY 20 7.618 3.768 -4.474 292 HA2 GLY 20 2HA GLY 20 8.816 2.997 -6.448 293 HA3 GLY 20 1HA GLY 20 9.886 4.395 -6.301 294 H GLU 21 H GLU 21 11.536 2.511 -6.463 295 HA GLU 21 HA GLU 21 11.851 0.668 -4.313 296 HB2 GLU 21 2HB GLU 21 13.847 0.091 -5.310 297 HB3 GLU 21 1HB GLU 21 13.133 0.974 -6.655 298 HG2 GLU 21 2HG GLU 21 15.283 1.914 -6.497 299 HG3 GLU 21 1HG GLU 21 14.295 3.060 -5.589 300 H ARG 22 H ARG 22 12.210 4.055 -4.406 301 HA ARG 22 HA ARG 22 14.259 4.683 -2.662 302 HE ARG 22 HE ARG 22 14.558 9.575 -3.968 303 HB2 ARG 22 2HB ARG 22 11.783 5.909 -3.479 304 HB3 ARG 22 1HB ARG 22 12.056 6.207 -1.762 305 HG2 ARG 22 2HG ARG 22 14.210 7.169 -2.181 306 HG3 ARG 22 1HG ARG 22 14.194 6.629 -3.860 307 HD2 ARG 22 2HD ARG 22 12.596 8.227 -4.493 308 HD3 ARG 22 1HD ARG 22 12.037 8.461 -2.836 309 HH11 ARG 22 1HH2 ARG 22 14.694 8.970 -1.015 310 HH12 ARG 22 2HH2 ARG 22 14.172 10.470 -0.324 311 HH21 ARG 22 1HH1 ARG 22 12.808 11.663 -3.281 312 HH22 ARG 22 2HH1 ARG 22 13.110 11.997 -1.608 313 H GLY 23 H GLY 23 11.314 2.982 -1.907 314 HA2 GLY 23 2HA GLY 23 11.856 1.548 0.233 315 HA3 GLY 23 1HA GLY 23 11.945 3.133 1.000 316 H PHE 24 H PHE 24 10.103 1.478 2.044 317 HA PHE 24 HA PHE 24 7.580 2.835 1.397 318 HD1 PHE 24 HD2 PHE 24 9.559 0.600 -0.818 319 HD2 PHE 24 HD1 PHE 24 7.384 -1.588 2.173 320 HE1 PHE 24 HE2 PHE 24 11.151 -1.290 -1.043 321 HE2 PHE 24 HE1 PHE 24 8.975 -3.478 1.949 322 HZ PHE 24 HZ PHE 24 10.859 -3.330 0.341 323 HB2 PHE 24 2HB PHE 24 6.491 0.423 1.304 324 HB3 PHE 24 1HB PHE 24 7.157 1.156 -0.155 325 H PHE 25 H PHE 25 5.828 1.990 2.985 326 HA PHE 25 HA PHE 25 7.149 1.595 5.615 327 HD1 PHE 25 HD2 PHE 25 6.682 2.249 7.788 328 HD2 PHE 25 HD1 PHE 25 5.177 5.190 5.035 329 HE1 PHE 25 HE2 PHE 25 7.765 4.044 9.111 330 HE2 PHE 25 HE1 PHE 25 6.262 6.982 6.360 331 HZ PHE 25 HZ PHE 25 7.554 6.410 8.398 332 HB2 PHE 25 2HB PHE 25 4.708 2.939 4.656 333 HB3 PHE 25 1HB PHE 25 4.465 2.000 6.126 334 H TYR 26 H TYR 26 3.932 0.532 4.425 335 HA TYR 26 HA TYR 26 2.840 -1.524 4.785 336 HD1 TYR 26 HD1 TYR 26 2.273 -3.559 5.047 337 HD2 TYR 26 HD2 TYR 26 6.267 -4.705 3.938 338 HE1 TYR 26 HE1 TYR 26 1.771 -5.907 5.659 339 HE2 TYR 26 HE2 TYR 26 5.760 -7.051 4.549 340 HH TYR 26 HH TYR 26 4.280 -8.379 5.687 341 HB2 TYR 26 2HB TYR 26 4.300 -2.356 3.068 342 HB3 TYR 26 1HB TYR 26 5.680 -2.374 4.155 343 H THR 27 H THR 27 3.325 -0.201 7.118 344 HA THR 27 HA THR 27 4.785 -1.931 8.989 345 HB THR 27 HB THR 27 4.918 0.395 9.468 346 HG1 THR 27 HG1 THR 27 3.731 0.523 11.463 347 HG21 THR 27 3HG2 THR 27 2.413 1.401 9.967 348 HG22 THR 27 1HG2 THR 27 2.105 0.335 8.596 349 HG23 THR 27 2HG2 THR 27 3.299 1.626 8.459 350 H LYS 28 H LYS 28 3.746 -2.929 10.854 351 HA LYS 28 HA LYS 28 0.917 -3.723 10.288 352 HB2 LYS 28 2HB LYS 28 2.858 -5.264 12.019 353 HB3 LYS 28 1HB LYS 28 1.379 -5.844 11.252 354 HG2 LYS 28 2HG LYS 28 2.660 -6.564 9.545 355 HG3 LYS 28 1HG LYS 28 2.925 -4.868 9.136 356 HD2 LYS 28 2HD LYS 28 4.802 -4.928 10.909 357 HD3 LYS 28 1HD LYS 28 4.665 -6.685 10.805 358 HE2 LYS 28 2HE LYS 28 5.807 -6.719 8.865 359 HE3 LYS 28 1HE LYS 28 4.724 -5.523 8.155 360 HZ1 LYS 28 3HZ LYS 28 6.095 -3.945 9.734 361 HZ2 LYS 28 1HZ LYS 28 6.637 -4.332 8.174 362 HZ3 LYS 28 2HZ LYS 28 7.278 -5.144 9.523 363 HA PRO 29 HA PRO 29 -0.224 -1.976 14.136 364 HB2 PRO 29 2HB PRO 29 -2.375 -3.570 14.756 365 HB3 PRO 29 1HB PRO 29 -2.415 -2.304 13.517 366 HG2 PRO 29 2HG PRO 29 -2.282 -5.264 13.173 367 HG3 PRO 29 1HG PRO 29 -2.944 -4.036 12.081 368 HD2 PRO 29 2HD PRO 29 -0.435 -5.303 11.809 369 HD3 PRO 29 1HD PRO 29 -0.962 -3.845 10.947 370 H THR 30 H THR 30 0.785 -5.260 13.924 371 HA THR 30 HA THR 30 0.438 -6.203 16.560 372 HB THR 30 HB THR 30 1.403 -7.469 14.562 373 HG1 THR 30 HG1 THR 30 3.009 -7.666 16.873 374 HG21 THR 30 3HG2 THR 30 3.645 -7.221 13.968 375 HG22 THR 30 1HG2 THR 30 4.073 -6.474 15.508 376 HG23 THR 30 2HG2 THR 30 3.178 -5.553 14.300
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