NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
574638 | 2lzq | 18769 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ARG 1 HA ARG 1 -16.324 0.164 -5.340 2 HB2 ARG 1 HB2 ARG 1 -17.644 -1.123 -7.126 3 HB3 ARG 1 HB3 ARG 1 -18.772 -1.553 -5.841 4 HG2 ARG 1 HG2 ARG 1 -19.213 0.805 -5.384 5 HG3 ARG 1 HG3 ARG 1 -18.008 1.289 -6.579 6 HD2 ARG 1 HD2 ARG 1 -19.326 0.299 -8.382 7 HD3 ARG 1 HD3 ARG 1 -20.503 -0.333 -7.214 8 HE ARG 1 HE ARG 1 -20.000 2.594 -7.637 9 HH11 ARG 1 HH11 ARG 1 -21.349 2.007 -5.085 10 HH12 ARG 1 HH12 ARG 1 -23.027 2.028 -5.511 11 HH21 ARG 1 HH21 ARG 1 -22.431 1.713 -8.922 12 HH22 ARG 1 HH22 ARG 1 -23.643 1.861 -7.694 13 H SER 2 H SER 2 -15.689 -0.246 -2.948 14 HA SER 2 HA SER 2 -18.097 0.080 -1.277 15 HB2 SER 2 HB2 SER 2 -17.095 -2.463 -1.699 16 HB3 SER 2 HB3 SER 2 -16.298 -1.989 -0.201 17 HG SER 2 HG SER 2 -19.010 -2.354 -0.773 18 H ALA 3 H ALA 3 -17.538 0.890 0.869 19 HA ALA 3 HA ALA 3 -15.281 2.657 0.957 20 HB1 ALA 3 HB1 ALA 3 -16.027 2.940 3.319 21 HB2 ALA 3 HB2 ALA 3 -17.074 1.534 3.131 22 HB3 ALA 3 HB3 ALA 3 -17.377 2.990 2.185 23 H LEU 4 H LEU 4 -15.724 -0.662 2.117 24 HA LEU 4 HA LEU 4 -13.045 -0.606 3.428 25 HB2 LEU 4 HB2 LEU 4 -13.819 -2.692 4.456 26 HB3 LEU 4 HB3 LEU 4 -15.060 -1.454 4.629 27 HG LEU 4 HG LEU 4 -15.566 -2.720 2.148 28 HD11 LEU 4 HD11 LEU 4 -15.725 -5.063 2.696 29 HD12 LEU 4 HD12 LEU 4 -15.235 -4.759 4.363 30 HD13 LEU 4 HD13 LEU 4 -14.075 -4.549 3.052 31 HD21 LEU 4 HD21 LEU 4 -17.143 -1.743 3.899 32 HD22 LEU 4 HD22 LEU 4 -16.957 -3.257 4.784 33 HD23 LEU 4 HD23 LEU 4 -17.666 -3.260 3.170 34 H VAL 5 H VAL 5 -14.036 -1.082 0.350 35 HA VAL 5 HA VAL 5 -12.366 -3.517 -0.120 36 HB VAL 5 HB VAL 5 -14.517 -2.060 -1.681 37 HG11 VAL 5 HG11 VAL 5 -14.158 -4.078 -3.295 38 HG12 VAL 5 HG12 VAL 5 -12.549 -4.159 -2.580 39 HG13 VAL 5 HG13 VAL 5 -13.066 -2.698 -3.421 40 HG21 VAL 5 HG21 VAL 5 -15.701 -4.189 -1.459 41 HG22 VAL 5 HG22 VAL 5 -15.184 -3.645 0.137 42 HG23 VAL 5 HG23 VAL 5 -14.292 -4.922 -0.692 43 H ASN 6 H ASN 6 -12.995 -0.352 -1.728 44 HA ASN 6 HA ASN 6 -10.601 -0.358 -3.304 45 HB2 ASN 6 HB2 ASN 6 -12.834 1.081 -3.303 46 HB3 ASN 6 HB3 ASN 6 -11.878 2.173 -2.301 47 HD21 ASN 6 HD21 ASN 6 -12.349 3.507 -4.475 48 HD22 ASN 6 HD22 ASN 6 -11.141 3.392 -5.661 49 H SER 7 H SER 7 -11.288 1.021 -0.065 50 HA SER 7 HA SER 7 -8.801 2.371 0.333 51 HB2 SER 7 HB2 SER 7 -11.018 2.327 1.701 52 HB3 SER 7 HB3 SER 7 -10.335 0.907 2.488 53 HG SER 7 HG SER 7 -9.469 2.424 3.703 54 H TYR 8 H TYR 8 -9.784 -0.985 1.117 55 HA TYR 8 HA TYR 8 -7.252 -1.813 2.213 56 HB2 TYR 8 HB2 TYR 8 -9.088 -3.183 2.727 57 HB3 TYR 8 HB3 TYR 8 -9.727 -3.107 1.087 58 HD1 TYR 8 HD1 TYR 8 -6.685 -4.319 2.933 59 HD2 TYR 8 HD2 TYR 8 -9.432 -4.950 -0.309 60 HE1 TYR 8 HE2 TYR 8 -5.545 -6.450 2.380 61 HE2 TYR 8 HE1 TYR 8 -8.292 -7.080 -0.861 62 HH TYR 8 HH TYR 8 -6.499 -8.751 1.045 63 H LEU 9 H LEU 9 -8.656 -1.960 -1.067 64 HA LEU 9 HA LEU 9 -6.527 -3.381 -2.349 65 HB2 LEU 9 HB2 LEU 9 -8.930 -1.863 -3.010 66 HB3 LEU 9 HB3 LEU 9 -7.658 -1.579 -4.194 67 HG LEU 9 HG LEU 9 -9.051 -3.515 -4.833 68 HD11 LEU 9 HD11 LEU 9 -7.272 -4.961 -5.398 69 HD12 LEU 9 HD12 LEU 9 -6.387 -4.593 -3.918 70 HD13 LEU 9 HD13 LEU 9 -6.492 -3.391 -5.203 71 HD21 LEU 9 HD21 LEU 9 -9.302 -5.428 -3.466 72 HD22 LEU 9 HD22 LEU 9 -9.501 -4.083 -2.344 73 HD23 LEU 9 HD23 LEU 9 -7.970 -4.956 -2.411 74 H TRP 10 H TRP 10 -7.121 0.132 -1.973 75 HA TRP 10 HA TRP 10 -4.719 0.993 -3.321 76 HB2 TRP 10 HB2 TRP 10 -6.390 2.621 -3.116 77 HB3 TRP 10 HB3 TRP 10 -6.781 2.153 -1.462 78 HD1 TRP 10 HD1 TRP 10 -4.032 3.979 -3.456 79 HE1 TRP 10 HE1 TRP 10 -2.840 5.628 -1.870 80 HE3 TRP 10 HE3 TRP 10 -6.341 2.797 0.941 81 HZ2 TRP 10 HZ2 TRP 10 -2.867 6.348 0.899 82 HZ3 TRP 10 HZ3 TRP 10 -5.740 3.977 3.034 83 HH2 TRP 10 HH2 TRP 10 -4.009 5.750 3.019 84 H GLN 11 H GLN 11 -5.519 0.530 0.149 85 HA GLN 11 HA GLN 11 -3.072 1.346 1.305 86 HB2 GLN 11 HB2 GLN 11 -5.264 0.677 2.406 87 HB3 GLN 11 HB3 GLN 11 -4.795 -1.005 2.156 88 HG2 GLN 11 HG2 GLN 11 -2.757 -0.652 3.489 89 HG3 GLN 11 HG3 GLN 11 -3.186 1.045 3.713 90 HE21 GLN 11 HE21 GLN 11 -4.186 1.421 5.696 91 HE22 GLN 11 HE22 GLN 11 -5.160 0.305 6.526 92 H ARG 12 H ARG 12 -3.966 -1.800 -0.119 93 HA ARG 12 HA ARG 12 -1.557 -3.211 0.589 94 HB2 ARG 12 HB2 ARG 12 -3.869 -4.034 -0.239 95 HB3 ARG 12 HB3 ARG 12 -3.268 -3.682 -1.859 96 HG2 ARG 12 HG2 ARG 12 -1.345 -5.194 -0.244 97 HG3 ARG 12 HG3 ARG 12 -2.868 -6.053 -0.471 98 HD2 ARG 12 HD2 ARG 12 -1.292 -4.797 -2.749 99 HD3 ARG 12 HD3 ARG 12 -1.201 -6.513 -2.304 100 HE ARG 12 HE ARG 12 -3.416 -5.256 -3.696 101 HH11 ARG 12 HH11 ARG 12 -2.590 -8.181 -3.815 102 HH12 ARG 12 HH12 ARG 12 -3.941 -8.948 -3.047 103 HH21 ARG 12 HH21 ARG 12 -5.153 -6.001 -1.652 104 HH22 ARG 12 HH22 ARG 12 -5.400 -7.708 -1.816 105 H TRP 13 H TRP 13 -2.472 -1.269 -2.270 106 HA TRP 13 HA TRP 13 -0.185 -1.860 -3.881 107 HB2 TRP 13 HB2 TRP 13 -1.456 -0.599 -5.266 108 HB3 TRP 13 HB3 TRP 13 -2.516 -0.218 -3.916 109 HD1 TRP 13 HD1 TRP 13 -2.697 2.237 -3.336 110 HE1 TRP 13 HE1 TRP 13 -1.310 4.359 -3.799 111 HE3 TRP 13 HE3 TRP 13 1.324 0.164 -5.706 112 HZ2 TRP 13 HZ2 TRP 13 1.178 5.082 -5.014 113 HZ3 TRP 13 HZ3 TRP 13 3.184 1.591 -6.507 114 HH2 TRP 13 HH2 TRP 13 3.117 4.045 -6.163 115 H GLU 14 H GLU 14 -0.742 0.750 -1.488 116 HA GLU 14 HA GLU 14 1.908 1.904 -1.813 117 HB2 GLU 14 HB2 GLU 14 -0.435 2.154 0.045 118 HB3 GLU 14 HB3 GLU 14 1.104 2.865 0.535 119 HG2 GLU 14 HG2 GLU 14 1.037 3.776 -1.985 120 HG3 GLU 14 HG3 GLU 14 -0.699 3.615 -1.720 121 H ASN 15 H ASN 15 0.432 -0.421 0.458 122 HA ASN 15 HA ASN 15 2.526 -0.703 2.335 123 HB2 ASN 15 HB2 ASN 15 0.181 -1.749 2.243 124 HB3 ASN 15 HB3 ASN 15 0.881 -2.976 1.186 125 HD21 ASN 15 HD21 ASN 15 2.902 -4.125 2.153 126 HD22 ASN 15 HD22 ASN 15 2.897 -4.407 3.826 127 H TRP 16 H TRP 16 2.077 -2.423 -0.786 128 HA TRP 16 HA TRP 16 4.526 -3.947 -0.621 129 HB2 TRP 16 HB2 TRP 16 2.935 -4.766 -2.140 130 HB3 TRP 16 HB3 TRP 16 2.528 -3.157 -2.732 131 HD1 TRP 16 HD1 TRP 16 5.378 -5.748 -2.923 132 HE1 TRP 16 HE1 TRP 16 6.668 -5.374 -5.122 133 HE3 TRP 16 HE3 TRP 16 3.013 -1.555 -4.629 134 HZ2 TRP 16 HZ2 TRP 16 6.696 -3.539 -7.313 135 HZ3 TRP 16 HZ3 TRP 16 3.694 -0.516 -6.774 136 HH2 TRP 16 HH2 TRP 16 5.530 -1.501 -8.116 137 H PHE 17 H PHE 17 3.664 -0.870 -2.229 138 HA PHE 17 HA PHE 17 6.144 -0.279 -3.463 139 HB2 PHE 17 HB2 PHE 17 4.204 1.019 -3.960 140 HB3 PHE 17 HB3 PHE 17 3.904 1.363 -2.258 141 HD1 PHE 17 HD1 PHE 17 6.607 1.826 -4.830 142 HD2 PHE 17 HD2 PHE 17 4.529 3.444 -1.435 143 HE1 PHE 17 HE2 PHE 17 7.938 3.910 -5.007 144 HE2 PHE 17 HE1 PHE 17 5.859 5.528 -1.616 145 HZ PHE 17 HZ PHE 17 7.564 5.761 -3.400 146 H TRP 18 H TRP 18 4.985 0.609 -0.183 147 HA TRP 18 HA TRP 18 7.421 1.896 0.662 148 HB2 TRP 18 HB2 TRP 18 5.112 0.573 2.118 149 HB3 TRP 18 HB3 TRP 18 6.384 1.466 2.948 150 HD1 TRP 18 HD1 TRP 18 3.065 2.056 2.028 151 HE1 TRP 18 HE1 TRP 18 2.578 4.510 1.405 152 HE3 TRP 18 HE3 TRP 18 7.829 3.736 1.273 153 HZ2 TRP 18 HZ2 TRP 18 4.017 6.870 0.690 154 HZ3 TRP 18 HZ3 TRP 18 8.240 6.092 0.624 155 HH2 TRP 18 HH2 TRP 18 6.342 7.660 0.332 156 H ASN 19 H ASN 19 6.220 -1.460 0.952 157 HA ASN 19 HA ASN 19 8.163 -2.557 2.668 158 HB2 ASN 19 HB2 ASN 19 6.182 -3.428 0.765 159 HB3 ASN 19 HB3 ASN 19 7.625 -4.425 0.589 160 HD21 ASN 19 HD21 ASN 19 8.558 -5.200 2.842 161 HD22 ASN 19 HD22 ASN 19 7.407 -5.684 3.991 162 H VAL 20 H VAL 20 8.385 -2.118 -0.891 163 HA VAL 20 HA VAL 20 11.164 -3.125 -0.898 164 HB VAL 20 HB VAL 20 10.956 -2.689 -3.357 165 HG11 VAL 20 HG11 VAL 20 9.320 -4.433 -3.770 166 HG12 VAL 20 HG12 VAL 20 8.569 -4.155 -2.198 167 HG13 VAL 20 HG13 VAL 20 10.198 -4.825 -2.291 168 HG21 VAL 20 HG21 VAL 20 8.080 -1.943 -2.780 169 HG22 VAL 20 HG22 VAL 20 8.943 -1.839 -4.311 170 HG23 VAL 20 HG23 VAL 20 9.336 -0.726 -3.002 171 H THR 21 H THR 21 9.519 -0.002 -0.913 172 HA THR 21 HA THR 21 11.849 1.524 -1.785 173 HB THR 21 HB THR 21 9.249 2.279 -0.412 174 HG1 THR 21 HG1 THR 21 8.675 1.657 -2.366 175 HG21 THR 21 HG21 THR 21 11.499 3.927 -1.555 176 HG22 THR 21 HG22 THR 21 10.665 4.118 -0.012 177 HG23 THR 21 HG23 THR 21 9.850 4.552 -1.514 178 H LEU 22 H LEU 22 10.426 0.624 1.332 179 HA LEU 22 HA LEU 22 12.254 2.286 2.898 180 HB2 LEU 22 HB2 LEU 22 10.331 0.038 3.575 181 HB3 LEU 22 HB3 LEU 22 11.191 0.989 4.785 182 HG LEU 22 HG LEU 22 9.373 2.193 2.677 183 HD11 LEU 22 HD11 LEU 22 8.851 1.402 5.554 184 HD12 LEU 22 HD12 LEU 22 7.985 0.859 4.118 185 HD13 LEU 22 HD13 LEU 22 7.828 2.528 4.664 186 HD21 LEU 22 HD21 LEU 22 9.455 4.077 4.475 187 HD22 LEU 22 HD22 LEU 22 10.850 3.876 3.415 188 HD23 LEU 22 HD23 LEU 22 10.894 3.244 5.061 189 H ARG 23 H ARG 23 11.792 -1.256 2.844 190 HA ARG 23 HA ARG 23 13.324 -3.018 3.203 191 HB2 ARG 23 HB2 ARG 23 14.816 -0.969 1.553 192 HB3 ARG 23 HB3 ARG 23 15.531 -2.532 1.945 193 HG2 ARG 23 HG2 ARG 23 12.753 -2.591 0.885 194 HG3 ARG 23 HG3 ARG 23 14.015 -2.125 -0.256 195 HD2 ARG 23 HD2 ARG 23 15.268 -4.182 0.240 196 HD3 ARG 23 HD3 ARG 23 14.046 -4.649 1.440 197 HE ARG 23 HE ARG 23 13.485 -4.356 -1.490 198 HH11 ARG 23 HH11 ARG 23 11.415 -4.285 0.929 199 HH12 ARG 23 HH12 ARG 23 10.730 -5.866 0.737 200 HH21 ARG 23 HH21 ARG 23 13.220 -6.970 -1.426 201 HH22 ARG 23 HH22 ARG 23 11.759 -7.394 -0.597 202 HA PRO 24 HA PRO 24 15.350 -0.882 6.764 203 HB2 PRO 24 HB2 PRO 24 14.299 -2.491 8.710 204 HB3 PRO 24 HB3 PRO 24 13.463 -1.057 8.086 205 HG2 PRO 24 HG2 PRO 24 12.988 -3.923 7.506 206 HG3 PRO 24 HG3 PRO 24 11.839 -2.581 7.598 207 HD2 PRO 24 HD2 PRO 24 12.808 -3.693 5.254 208 HD3 PRO 24 HD3 PRO 24 12.075 -2.081 5.398 209 H GLU 25 H GLU 25 17.158 -2.078 5.494 210 HA GLU 25 HA GLU 25 17.865 -4.734 6.657 211 HB2 GLU 25 HB2 GLU 25 18.617 -3.102 4.246 212 HB3 GLU 25 HB3 GLU 25 19.714 -4.367 4.800 213 HG2 GLU 25 HG2 GLU 25 17.787 -5.978 4.746 214 HG3 GLU 25 HG3 GLU 25 16.803 -4.706 4.023 215 H ARG 26 H ARG 26 20.231 -5.022 7.239 216 HA ARG 26 HA ARG 26 22.122 -4.441 8.517 217 HB2 ARG 26 HB2 ARG 26 21.707 -2.493 6.526 218 HB3 ARG 26 HB3 ARG 26 22.050 -1.582 7.995 219 HG2 ARG 26 HG2 ARG 26 23.787 -3.934 7.580 220 HG3 ARG 26 HG3 ARG 26 23.972 -2.660 6.374 221 HD2 ARG 26 HD2 ARG 26 24.293 -0.996 8.196 222 HD3 ARG 26 HD3 ARG 26 24.175 -2.306 9.388 223 HE ARG 26 HE ARG 26 26.249 -3.223 8.541 224 HH11 ARG 26 HH11 ARG 26 25.977 -2.546 5.656 225 HH12 ARG 26 HH12 ARG 26 27.141 -1.280 5.453 226 HH21 ARG 26 HH21 ARG 26 27.414 -0.634 8.859 227 HH22 ARG 26 HH22 ARG 26 27.959 -0.192 7.276 Start of MODEL 2 1 HA ARG 1 HA ARG 1 -17.771 2.666 -4.023 2 HB2 ARG 1 HB2 ARG 1 -16.096 1.899 -5.852 3 HB3 ARG 1 HB3 ARG 1 -15.487 0.781 -4.633 4 HG2 ARG 1 HG2 ARG 1 -17.872 -0.028 -4.331 5 HG3 ARG 1 HG3 ARG 1 -18.296 0.927 -5.753 6 HD2 ARG 1 HD2 ARG 1 -17.053 -0.432 -7.202 7 HD3 ARG 1 HD3 ARG 1 -16.002 -1.024 -5.900 8 HE ARG 1 HE ARG 1 -18.892 -1.785 -6.146 9 HH11 ARG 1 HH11 ARG 1 -16.540 -3.559 -7.062 10 HH12 ARG 1 HH12 ARG 1 -16.416 -4.645 -5.719 11 HH21 ARG 1 HH21 ARG 1 -18.353 -2.670 -3.612 12 HH22 ARG 1 HH22 ARG 1 -17.447 -4.138 -3.755 13 H SER 2 H SER 2 -18.560 2.030 -2.065 14 HA SER 2 HA SER 2 -18.705 1.029 0.064 15 HB2 SER 2 HB2 SER 2 -17.058 -0.606 -1.617 16 HB3 SER 2 HB3 SER 2 -16.374 -0.629 0.005 17 HG SER 2 HG SER 2 -18.913 -1.427 -0.899 18 H ALA 3 H ALA 3 -17.119 0.513 2.080 19 HA ALA 3 HA ALA 3 -15.323 2.905 2.344 20 HB1 ALA 3 HB1 ALA 3 -16.813 1.288 4.439 21 HB2 ALA 3 HB2 ALA 3 -17.390 2.800 3.737 22 HB3 ALA 3 HB3 ALA 3 -15.926 2.786 4.722 23 H LEU 4 H LEU 4 -15.679 -0.459 3.578 24 HA LEU 4 HA LEU 4 -12.782 -0.553 4.205 25 HB2 LEU 4 HB2 LEU 4 -15.199 -1.683 5.187 26 HB3 LEU 4 HB3 LEU 4 -14.215 -3.025 4.603 27 HG LEU 4 HG LEU 4 -12.278 -1.790 5.888 28 HD11 LEU 4 HD11 LEU 4 -13.450 0.225 6.492 29 HD12 LEU 4 HD12 LEU 4 -13.232 -0.706 7.974 30 HD13 LEU 4 HD13 LEU 4 -14.798 -0.693 7.164 31 HD21 LEU 4 HD21 LEU 4 -14.520 -3.385 7.155 32 HD22 LEU 4 HD22 LEU 4 -13.020 -3.008 8.003 33 HD23 LEU 4 HD23 LEU 4 -12.983 -3.990 6.539 34 H VAL 5 H VAL 5 -13.626 -0.462 1.344 35 HA VAL 5 HA VAL 5 -12.623 -3.151 0.460 36 HB VAL 5 HB VAL 5 -14.532 -1.178 -0.848 37 HG11 VAL 5 HG11 VAL 5 -13.658 -2.106 -2.749 38 HG12 VAL 5 HG12 VAL 5 -14.725 -3.446 -2.326 39 HG13 VAL 5 HG13 VAL 5 -13.016 -3.508 -1.894 40 HG21 VAL 5 HG21 VAL 5 -16.089 -3.186 -0.630 41 HG22 VAL 5 HG22 VAL 5 -15.651 -2.407 0.889 42 HG23 VAL 5 HG23 VAL 5 -14.869 -3.914 0.414 43 H ASN 6 H ASN 6 -12.801 0.285 -0.585 44 HA ASN 6 HA ASN 6 -10.574 0.090 -2.417 45 HB2 ASN 6 HB2 ASN 6 -12.459 2.069 -1.381 46 HB3 ASN 6 HB3 ASN 6 -10.851 2.757 -1.619 47 HD21 ASN 6 HD21 ASN 6 -13.509 1.072 -3.305 48 HD22 ASN 6 HD22 ASN 6 -13.004 1.503 -4.869 49 H SER 7 H SER 7 -10.856 0.981 1.016 50 HA SER 7 HA SER 7 -8.295 2.113 1.463 51 HB2 SER 7 HB2 SER 7 -10.382 1.772 2.987 52 HB3 SER 7 HB3 SER 7 -9.674 0.201 3.357 53 HG SER 7 HG SER 7 -9.117 2.345 4.583 54 H TYR 8 H TYR 8 -9.317 -1.314 1.546 55 HA TYR 8 HA TYR 8 -6.639 -2.333 2.075 56 HB2 TYR 8 HB2 TYR 8 -8.045 -3.997 2.712 57 HB3 TYR 8 HB3 TYR 8 -9.390 -3.256 1.853 58 HD1 TYR 8 HD1 TYR 8 -6.402 -5.449 1.395 59 HD2 TYR 8 HD2 TYR 8 -10.187 -4.167 -0.182 60 HE1 TYR 8 HE1 TYR 8 -6.298 -7.241 -0.315 61 HE2 TYR 8 HE2 TYR 8 -10.081 -5.957 -1.892 62 HH TYR 8 HH TYR 8 -8.869 -8.300 -2.031 63 H LEU 9 H LEU 9 -8.659 -1.857 -0.823 64 HA LEU 9 HA LEU 9 -6.955 -3.222 -2.698 65 HB2 LEU 9 HB2 LEU 9 -9.262 -1.379 -2.671 66 HB3 LEU 9 HB3 LEU 9 -8.255 -1.240 -4.111 67 HG LEU 9 HG LEU 9 -9.133 -3.940 -3.091 68 HD11 LEU 9 HD11 LEU 9 -11.193 -2.683 -3.389 69 HD12 LEU 9 HD12 LEU 9 -11.004 -3.783 -4.755 70 HD13 LEU 9 HD13 LEU 9 -10.637 -2.069 -4.946 71 HD21 LEU 9 HD21 LEU 9 -8.657 -4.634 -5.342 72 HD22 LEU 9 HD22 LEU 9 -7.300 -3.632 -4.832 73 HD23 LEU 9 HD23 LEU 9 -8.536 -2.965 -5.898 74 H TRP 10 H TRP 10 -7.152 0.203 -1.682 75 HA TRP 10 HA TRP 10 -5.037 1.142 -3.417 76 HB2 TRP 10 HB2 TRP 10 -6.538 2.771 -2.616 77 HB3 TRP 10 HB3 TRP 10 -6.514 2.124 -0.977 78 HD1 TRP 10 HD1 TRP 10 -4.184 3.979 -3.437 79 HE1 TRP 10 HE1 TRP 10 -2.537 5.412 -2.065 80 HE3 TRP 10 HE3 TRP 10 -5.517 2.569 1.286 81 HZ2 TRP 10 HZ2 TRP 10 -1.875 5.894 0.673 82 HZ3 TRP 10 HZ3 TRP 10 -4.361 3.529 3.256 83 HH2 TRP 10 HH2 TRP 10 -2.543 5.188 2.957 84 H GLN 11 H GLN 11 -5.133 0.002 -0.030 85 HA GLN 11 HA GLN 11 -2.464 0.612 0.731 86 HB2 GLN 11 HB2 GLN 11 -4.569 -1.389 1.487 87 HB3 GLN 11 HB3 GLN 11 -2.947 -1.601 2.146 88 HG2 GLN 11 HG2 GLN 11 -4.075 1.148 2.274 89 HG3 GLN 11 HG3 GLN 11 -4.809 -0.052 3.338 90 HE21 GLN 11 HE21 GLN 11 -3.398 -1.092 4.964 91 HE22 GLN 11 HE22 GLN 11 -1.919 -0.382 5.399 92 H ARG 12 H ARG 12 -3.782 -2.289 -0.904 93 HA ARG 12 HA ARG 12 -1.452 -3.888 -0.991 94 HB2 ARG 12 HB2 ARG 12 -4.023 -4.024 -1.891 95 HB3 ARG 12 HB3 ARG 12 -3.165 -3.795 -3.416 96 HG2 ARG 12 HG2 ARG 12 -1.703 -5.705 -2.898 97 HG3 ARG 12 HG3 ARG 12 -2.529 -5.928 -1.354 98 HD2 ARG 12 HD2 ARG 12 -4.544 -5.829 -3.378 99 HD3 ARG 12 HD3 ARG 12 -3.292 -6.964 -3.918 100 HE ARG 12 HE ARG 12 -4.279 -7.154 -1.110 101 HH11 ARG 12 HH11 ARG 12 -2.459 -9.228 -2.205 102 HH12 ARG 12 HH12 ARG 12 -3.556 -10.479 -2.690 103 HH21 ARG 12 HH21 ARG 12 -6.351 -8.408 -2.635 104 HH22 ARG 12 HH22 ARG 12 -5.769 -10.013 -2.934 105 H TRP 13 H TRP 13 -2.168 -0.946 -2.745 106 HA TRP 13 HA TRP 13 -0.123 -1.398 -4.813 107 HB2 TRP 13 HB2 TRP 13 -2.456 0.074 -4.534 108 HB3 TRP 13 HB3 TRP 13 -1.206 1.305 -4.395 109 HD1 TRP 13 HD1 TRP 13 -3.125 1.176 -6.869 110 HE1 TRP 13 HE1 TRP 13 -2.161 0.834 -9.236 111 HE3 TRP 13 HE3 TRP 13 1.390 -0.907 -5.697 112 HZ2 TRP 13 HZ2 TRP 13 0.209 -0.182 -10.467 113 HZ3 TRP 13 HZ3 TRP 13 2.977 -1.549 -7.484 114 HH2 TRP 13 HH2 TRP 13 2.396 -1.189 -9.865 115 H GLU 14 H GLU 14 -0.615 1.085 -2.269 116 HA GLU 14 HA GLU 14 2.157 1.994 -2.465 117 HB2 GLU 14 HB2 GLU 14 -0.217 2.640 -0.705 118 HB3 GLU 14 HB3 GLU 14 1.332 3.474 -0.568 119 HG2 GLU 14 HG2 GLU 14 0.992 3.689 -3.225 120 HG3 GLU 14 HG3 GLU 14 -0.703 3.598 -2.746 121 H ASN 15 H ASN 15 0.251 0.230 0.035 122 HA ASN 15 HA ASN 15 2.202 0.109 2.069 123 HB2 ASN 15 HB2 ASN 15 -0.248 -0.734 1.965 124 HB3 ASN 15 HB3 ASN 15 0.436 -2.226 1.317 125 HD21 ASN 15 HD21 ASN 15 2.260 -3.219 2.729 126 HD22 ASN 15 HD22 ASN 15 2.097 -3.075 4.413 127 H TRP 16 H TRP 16 1.881 -1.946 -0.841 128 HA TRP 16 HA TRP 16 4.046 -3.748 -0.131 129 HB2 TRP 16 HB2 TRP 16 2.534 -4.576 -1.731 130 HB3 TRP 16 HB3 TRP 16 2.452 -3.038 -2.589 131 HD1 TRP 16 HD1 TRP 16 4.776 -6.058 -2.085 132 HE1 TRP 16 HE1 TRP 16 6.420 -6.167 -4.069 133 HE3 TRP 16 HE3 TRP 16 3.545 -1.724 -4.491 134 HZ2 TRP 16 HZ2 TRP 16 7.118 -4.621 -6.372 135 HZ3 TRP 16 HZ3 TRP 16 4.715 -1.067 -6.573 136 HH2 TRP 16 HH2 TRP 16 6.498 -2.508 -7.517 137 H PHE 17 H PHE 17 3.818 -0.937 -2.348 138 HA PHE 17 HA PHE 17 6.526 -0.848 -3.190 139 HB2 PHE 17 HB2 PHE 17 4.551 0.426 -4.096 140 HB3 PHE 17 HB3 PHE 17 4.627 1.467 -2.673 141 HD1 PHE 17 HD1 PHE 17 6.577 0.292 -5.628 142 HD2 PHE 17 HD2 PHE 17 6.191 3.249 -2.536 143 HE1 PHE 17 HE2 PHE 17 8.331 1.665 -6.720 144 HE2 PHE 17 HE1 PHE 17 7.945 4.620 -3.627 145 HZ PHE 17 HZ PHE 17 9.015 3.828 -5.719 146 H TRP 18 H TRP 18 4.942 0.772 -0.409 147 HA TRP 18 HA TRP 18 7.306 2.090 0.560 148 HB2 TRP 18 HB2 TRP 18 4.734 1.171 1.880 149 HB3 TRP 18 HB3 TRP 18 5.915 2.207 2.677 150 HD1 TRP 18 HD1 TRP 18 2.816 2.870 1.558 151 HE1 TRP 18 HE1 TRP 18 2.541 5.036 0.188 152 HE3 TRP 18 HE3 TRP 18 7.680 3.700 0.209 153 HZ2 TRP 18 HZ2 TRP 18 4.160 6.874 -1.278 154 HZ3 TRP 18 HZ3 TRP 18 8.278 5.664 -1.172 155 HH2 TRP 18 HH2 TRP 18 6.527 7.253 -1.916 156 H ASN 19 H ASN 19 5.915 -1.132 1.219 157 HA ASN 19 HA ASN 19 7.674 -1.841 3.377 158 HB2 ASN 19 HB2 ASN 19 5.659 -3.043 1.668 159 HB3 ASN 19 HB3 ASN 19 6.992 -4.164 1.936 160 HD21 ASN 19 HD21 ASN 19 4.374 -2.407 3.535 161 HD22 ASN 19 HD22 ASN 19 4.533 -3.182 5.036 162 H VAL 20 H VAL 20 7.952 -2.348 -0.170 163 HA VAL 20 HA VAL 20 10.597 -3.622 0.160 164 HB VAL 20 HB VAL 20 10.447 -3.842 -2.307 165 HG11 VAL 20 HG11 VAL 20 8.513 -5.317 -2.362 166 HG12 VAL 20 HG12 VAL 20 7.825 -4.525 -0.945 167 HG13 VAL 20 HG13 VAL 20 9.306 -5.472 -0.794 168 HG21 VAL 20 HG21 VAL 20 9.127 -2.508 -3.558 169 HG22 VAL 20 HG22 VAL 20 8.765 -1.597 -2.093 170 HG23 VAL 20 HG23 VAL 20 7.708 -2.916 -2.593 171 H THR 21 H THR 21 9.532 -0.393 0.007 172 HA THR 21 HA THR 21 12.065 0.518 -1.297 173 HB THR 21 HB THR 21 9.415 1.886 -0.740 174 HG1 THR 21 HG1 THR 21 9.014 0.846 -2.521 175 HG21 THR 21 HG21 THR 21 11.232 3.517 -0.611 176 HG22 THR 21 HG22 THR 21 10.341 3.741 -2.115 177 HG23 THR 21 HG23 THR 21 11.902 2.922 -2.129 178 H LEU 22 H LEU 22 10.069 0.948 1.617 179 HA LEU 22 HA LEU 22 12.150 2.673 2.846 180 HB2 LEU 22 HB2 LEU 22 9.393 1.776 3.737 181 HB3 LEU 22 HB3 LEU 22 10.394 2.941 4.599 182 HG LEU 22 HG LEU 22 9.764 3.379 1.690 183 HD11 LEU 22 HD11 LEU 22 7.805 4.762 2.473 184 HD12 LEU 22 HD12 LEU 22 7.988 4.015 4.061 185 HD13 LEU 22 HD13 LEU 22 7.581 3.023 2.661 186 HD21 LEU 22 HD21 LEU 22 11.453 4.787 2.840 187 HD22 LEU 22 HD22 LEU 22 10.245 5.238 4.043 188 HD23 LEU 22 HD23 LEU 22 10.043 5.733 2.362 189 H ARG 23 H ARG 23 11.172 -0.645 2.867 190 HA ARG 23 HA ARG 23 13.229 -1.287 4.871 191 HB2 ARG 23 HB2 ARG 23 11.400 -2.524 6.245 192 HB3 ARG 23 HB3 ARG 23 11.502 -0.772 6.411 193 HG2 ARG 23 HG2 ARG 23 9.490 -0.429 5.389 194 HG3 ARG 23 HG3 ARG 23 9.755 -1.714 4.214 195 HD2 ARG 23 HD2 ARG 23 8.504 -3.153 5.434 196 HD3 ARG 23 HD3 ARG 23 9.476 -2.830 6.883 197 HE ARG 23 HE ARG 23 7.148 -1.161 6.012 198 HH11 ARG 23 HH11 ARG 23 9.374 0.057 7.756 199 HH12 ARG 23 HH12 ARG 23 8.678 -0.118 9.333 200 HH21 ARG 23 HH21 ARG 23 6.262 -2.396 8.298 201 HH22 ARG 23 HH22 ARG 23 6.907 -1.514 9.641 202 HA PRO 24 HA PRO 24 12.214 -4.492 1.615 203 HB2 PRO 24 HB2 PRO 24 14.703 -4.578 0.476 204 HB3 PRO 24 HB3 PRO 24 13.430 -3.462 -0.058 205 HG2 PRO 24 HG2 PRO 24 15.779 -2.954 1.696 206 HG3 PRO 24 HG3 PRO 24 15.057 -1.925 0.449 207 HD2 PRO 24 HD2 PRO 24 14.649 -1.565 3.121 208 HD3 PRO 24 HD3 PRO 24 13.477 -1.083 1.874 209 H GLU 25 H GLU 25 12.147 -6.317 2.885 210 HA GLU 25 HA GLU 25 12.905 -8.256 3.986 211 HB2 GLU 25 HB2 GLU 25 14.863 -7.550 2.154 212 HB3 GLU 25 HB3 GLU 25 15.768 -7.679 3.662 213 HG2 GLU 25 HG2 GLU 25 15.810 -9.882 2.850 214 HG3 GLU 25 HG3 GLU 25 14.455 -9.914 3.978 215 H ARG 26 H ARG 26 13.981 -8.903 6.013 216 HA ARG 26 HA ARG 26 14.691 -6.562 7.760 217 HB2 ARG 26 HB2 ARG 26 12.978 -9.015 8.174 218 HB3 ARG 26 HB3 ARG 26 13.645 -8.137 9.550 219 HG2 ARG 26 HG2 ARG 26 12.500 -6.252 7.699 220 HG3 ARG 26 HG3 ARG 26 11.311 -7.505 8.059 221 HD2 ARG 26 HD2 ARG 26 12.408 -6.979 10.556 222 HD3 ARG 26 HD3 ARG 26 12.339 -5.375 9.799 223 HE ARG 26 HE ARG 26 10.018 -7.094 10.407 224 HH11 ARG 26 HH11 ARG 26 10.036 -4.182 11.006 225 HH12 ARG 26 HH12 ARG 26 9.083 -3.524 9.720 226 HH21 ARG 26 HH21 ARG 26 9.338 -6.360 7.726 227 HH22 ARG 26 HH22 ARG 26 8.680 -4.763 7.857 Start of MODEL 3 1 HA ARG 1 HA ARG 1 -19.090 0.936 -2.475 2 HB2 ARG 1 HB2 ARG 1 -21.250 1.961 -3.446 3 HB3 ARG 1 HB3 ARG 1 -21.870 1.926 -1.796 4 HG2 ARG 1 HG2 ARG 1 -19.995 3.305 -1.030 5 HG3 ARG 1 HG3 ARG 1 -19.303 3.297 -2.654 6 HD2 ARG 1 HD2 ARG 1 -21.983 4.145 -2.981 7 HD3 ARG 1 HD3 ARG 1 -21.351 5.040 -1.584 8 HE ARG 1 HE ARG 1 -19.978 4.951 -4.248 9 HH11 ARG 1 HH11 ARG 1 -18.401 5.781 -1.785 10 HH12 ARG 1 HH12 ARG 1 -18.543 7.506 -1.853 11 HH21 ARG 1 HH21 ARG 1 -21.190 7.457 -4.108 12 HH22 ARG 1 HH22 ARG 1 -20.130 8.459 -3.173 13 H SER 2 H SER 2 -18.325 -0.513 -0.744 14 HA SER 2 HA SER 2 -19.868 -0.413 1.810 15 HB2 SER 2 HB2 SER 2 -18.865 -2.515 0.600 16 HB3 SER 2 HB3 SER 2 -17.343 -1.972 1.303 17 HG SER 2 HG SER 2 -18.181 -2.232 3.313 18 H ALA 3 H ALA 3 -17.391 1.304 0.304 19 HA ALA 3 HA ALA 3 -15.821 2.868 1.095 20 HB1 ALA 3 HB1 ALA 3 -18.017 3.096 2.625 21 HB2 ALA 3 HB2 ALA 3 -16.562 4.043 2.936 22 HB3 ALA 3 HB3 ALA 3 -16.879 2.581 3.871 23 H LEU 4 H LEU 4 -15.662 -0.312 1.801 24 HA LEU 4 HA LEU 4 -13.163 -0.004 3.423 25 HB2 LEU 4 HB2 LEU 4 -15.501 -1.895 3.658 26 HB3 LEU 4 HB3 LEU 4 -13.926 -2.320 4.327 27 HG LEU 4 HG LEU 4 -14.935 0.400 4.977 28 HD11 LEU 4 HD11 LEU 4 -16.304 -0.566 6.862 29 HD12 LEU 4 HD12 LEU 4 -16.155 -2.142 6.086 30 HD13 LEU 4 HD13 LEU 4 -16.997 -0.830 5.262 31 HD21 LEU 4 HD21 LEU 4 -13.885 -0.129 7.123 32 HD22 LEU 4 HD22 LEU 4 -12.781 -0.548 5.814 33 HD23 LEU 4 HD23 LEU 4 -13.691 -1.813 6.640 34 H VAL 5 H VAL 5 -14.397 -0.957 0.458 35 HA VAL 5 HA VAL 5 -12.655 -3.320 0.086 36 HB VAL 5 HB VAL 5 -14.469 -1.790 -1.818 37 HG11 VAL 5 HG11 VAL 5 -12.786 -3.214 -2.943 38 HG12 VAL 5 HG12 VAL 5 -14.412 -3.868 -3.144 39 HG13 VAL 5 HG13 VAL 5 -13.309 -4.592 -1.973 40 HG21 VAL 5 HG21 VAL 5 -14.955 -4.140 0.029 41 HG22 VAL 5 HG22 VAL 5 -15.998 -3.794 -1.350 42 HG23 VAL 5 HG23 VAL 5 -15.844 -2.618 -0.044 43 H ASN 6 H ASN 6 -13.042 -0.081 -1.427 44 HA ASN 6 HA ASN 6 -10.655 -0.206 -3.017 45 HB2 ASN 6 HB2 ASN 6 -12.710 1.344 -3.149 46 HB3 ASN 6 HB3 ASN 6 -11.931 2.292 -1.882 47 HD21 ASN 6 HD21 ASN 6 -11.229 0.920 -5.149 48 HD22 ASN 6 HD22 ASN 6 -10.194 2.183 -5.615 49 H SER 7 H SER 7 -11.255 1.040 0.286 50 HA SER 7 HA SER 7 -8.741 2.283 0.758 51 HB2 SER 7 HB2 SER 7 -9.324 1.629 3.180 52 HB3 SER 7 HB3 SER 7 -10.537 2.564 2.309 53 HG SER 7 HG SER 7 -10.924 0.305 3.481 54 H TYR 8 H TYR 8 -9.752 -1.103 1.356 55 HA TYR 8 HA TYR 8 -7.194 -2.044 2.283 56 HB2 TYR 8 HB2 TYR 8 -9.070 -3.380 2.789 57 HB3 TYR 8 HB3 TYR 8 -9.730 -3.233 1.162 58 HD1 TYR 8 HD1 TYR 8 -6.747 -4.609 2.976 59 HD2 TYR 8 HD2 TYR 8 -9.425 -4.977 -0.362 60 HE1 TYR 8 HE2 TYR 8 -5.653 -6.739 2.333 61 HE2 TYR 8 HE1 TYR 8 -8.331 -7.107 -1.005 62 HH TYR 8 HH TYR 8 -6.772 -8.960 0.713 63 H LEU 9 H LEU 9 -8.717 -1.895 -0.935 64 HA LEU 9 HA LEU 9 -6.682 -3.307 -2.392 65 HB2 LEU 9 HB2 LEU 9 -9.081 -1.697 -2.853 66 HB3 LEU 9 HB3 LEU 9 -7.865 -1.420 -4.095 67 HG LEU 9 HG LEU 9 -9.358 -3.279 -4.723 68 HD11 LEU 9 HD11 LEU 9 -6.801 -3.239 -5.188 69 HD12 LEU 9 HD12 LEU 9 -7.669 -4.754 -5.434 70 HD13 LEU 9 HD13 LEU 9 -6.714 -4.513 -3.972 71 HD21 LEU 9 HD21 LEU 9 -9.589 -5.244 -3.408 72 HD22 LEU 9 HD22 LEU 9 -9.746 -3.918 -2.257 73 HD23 LEU 9 HD23 LEU 9 -8.229 -4.810 -2.374 74 H TRP 10 H TRP 10 -7.247 0.198 -1.904 75 HA TRP 10 HA TRP 10 -4.944 1.133 -3.320 76 HB2 TRP 10 HB2 TRP 10 -6.616 2.717 -2.858 77 HB3 TRP 10 HB3 TRP 10 -6.803 2.175 -1.192 78 HD1 TRP 10 HD1 TRP 10 -4.250 4.039 -3.411 79 HE1 TRP 10 HE1 TRP 10 -2.902 5.646 -1.910 80 HE3 TRP 10 HE3 TRP 10 -6.169 2.796 1.154 81 HZ2 TRP 10 HZ2 TRP 10 -2.672 6.316 0.862 82 HZ3 TRP 10 HZ3 TRP 10 -5.368 3.931 3.207 83 HH2 TRP 10 HH2 TRP 10 -3.624 5.687 3.067 84 H GLN 11 H GLN 11 -5.425 0.434 0.173 85 HA GLN 11 HA GLN 11 -2.862 1.207 1.113 86 HB2 GLN 11 HB2 GLN 11 -4.969 0.472 2.380 87 HB3 GLN 11 HB3 GLN 11 -4.462 -1.188 2.063 88 HG2 GLN 11 HG2 GLN 11 -2.975 -1.105 3.751 89 HG3 GLN 11 HG3 GLN 11 -2.223 0.336 3.067 90 HE21 GLN 11 HE21 GLN 11 -3.989 -0.785 5.745 91 HE22 GLN 11 HE22 GLN 11 -4.510 0.718 6.340 92 H ARG 12 H ARG 12 -3.947 -1.883 -0.306 93 HA ARG 12 HA ARG 12 -1.580 -3.422 0.061 94 HB2 ARG 12 HB2 ARG 12 -4.073 -3.497 -1.384 95 HB3 ARG 12 HB3 ARG 12 -2.777 -4.027 -2.454 96 HG2 ARG 12 HG2 ARG 12 -2.615 -5.128 0.279 97 HG3 ARG 12 HG3 ARG 12 -4.036 -5.644 -0.631 98 HD2 ARG 12 HD2 ARG 12 -1.224 -5.769 -1.771 99 HD3 ARG 12 HD3 ARG 12 -2.001 -7.134 -0.946 100 HE ARG 12 HE ARG 12 -3.826 -6.115 -2.890 101 HH11 ARG 12 HH11 ARG 12 -3.283 -8.987 -2.750 102 HH12 ARG 12 HH12 ARG 12 -2.371 -9.295 -4.189 103 HH21 ARG 12 HH21 ARG 12 -1.573 -5.952 -4.711 104 HH22 ARG 12 HH22 ARG 12 -1.397 -7.570 -5.306 105 H TRP 13 H TRP 13 -2.494 -1.148 -2.525 106 HA TRP 13 HA TRP 13 -0.360 -1.572 -4.342 107 HB2 TRP 13 HB2 TRP 13 -2.552 0.092 -4.049 108 HB3 TRP 13 HB3 TRP 13 -1.207 1.222 -3.932 109 HD1 TRP 13 HD1 TRP 13 -3.171 1.191 -6.394 110 HE1 TRP 13 HE1 TRP 13 -2.246 0.769 -8.765 111 HE3 TRP 13 HE3 TRP 13 1.216 -1.146 -5.228 112 HZ2 TRP 13 HZ2 TRP 13 0.051 -0.403 -9.999 113 HZ3 TRP 13 HZ3 TRP 13 2.750 -1.904 -7.017 114 HH2 TRP 13 HH2 TRP 13 2.175 -1.534 -9.398 115 H GLU 14 H GLU 14 -0.572 1.044 -1.900 116 HA GLU 14 HA GLU 14 2.221 1.761 -2.134 117 HB2 GLU 14 HB2 GLU 14 0.067 2.351 -0.082 118 HB3 GLU 14 HB3 GLU 14 1.619 3.188 -0.166 119 HG2 GLU 14 HG2 GLU 14 0.899 3.494 -2.722 120 HG3 GLU 14 HG3 GLU 14 -0.716 3.332 -2.030 121 H ASN 15 H ASN 15 0.442 -0.482 -0.054 122 HA ASN 15 HA ASN 15 2.256 -0.809 2.092 123 HB2 ASN 15 HB2 ASN 15 0.140 -1.906 2.154 124 HB3 ASN 15 HB3 ASN 15 0.404 -2.672 0.589 125 HD21 ASN 15 HD21 ASN 15 2.645 -2.529 3.415 126 HD22 ASN 15 HD22 ASN 15 2.743 -4.213 3.602 127 H TRP 16 H TRP 16 2.198 -2.562 -1.042 128 HA TRP 16 HA TRP 16 4.673 -3.990 -0.578 129 HB2 TRP 16 HB2 TRP 16 3.235 -4.931 -2.184 130 HB3 TRP 16 HB3 TRP 16 2.859 -3.366 -2.905 131 HD1 TRP 16 HD1 TRP 16 5.596 -6.044 -2.807 132 HE1 TRP 16 HE1 TRP 16 7.158 -5.704 -4.829 133 HE3 TRP 16 HE3 TRP 16 3.724 -1.657 -4.641 134 HZ2 TRP 16 HZ2 TRP 16 7.561 -3.822 -6.945 135 HZ3 TRP 16 HZ3 TRP 16 4.718 -0.615 -6.659 136 HH2 TRP 16 HH2 TRP 16 6.631 -1.691 -7.811 137 H PHE 17 H PHE 17 3.836 -0.972 -2.293 138 HA PHE 17 HA PHE 17 6.369 -0.357 -3.413 139 HB2 PHE 17 HB2 PHE 17 4.411 0.876 -4.037 140 HB3 PHE 17 HB3 PHE 17 4.056 1.295 -2.363 141 HD1 PHE 17 HD1 PHE 17 6.870 1.634 -4.835 142 HD2 PHE 17 HD2 PHE 17 4.623 3.433 -1.646 143 HE1 PHE 17 HE2 PHE 17 8.208 3.709 -5.063 144 HE2 PHE 17 HE1 PHE 17 5.961 5.507 -1.875 145 HZ PHE 17 HZ PHE 17 7.753 5.646 -3.582 146 H TRP 18 H TRP 18 4.999 0.816 -0.302 147 HA TRP 18 HA TRP 18 7.423 2.046 0.627 148 HB2 TRP 18 HB2 TRP 18 4.920 0.982 1.962 149 HB3 TRP 18 HB3 TRP 18 6.178 1.827 2.860 150 HD1 TRP 18 HD1 TRP 18 3.026 2.570 1.427 151 HE1 TRP 18 HE1 TRP 18 2.816 5.028 0.673 152 HE3 TRP 18 HE3 TRP 18 7.953 3.912 1.413 153 HZ2 TRP 18 HZ2 TRP 18 4.514 7.266 0.139 154 HZ3 TRP 18 HZ3 TRP 18 8.628 6.210 0.780 155 HH2 TRP 18 HH2 TRP 18 6.916 7.887 0.143 156 H ASN 19 H ASN 19 6.111 -1.248 0.969 157 HA ASN 19 HA ASN 19 7.832 -2.280 2.965 158 HB2 ASN 19 HB2 ASN 19 5.883 -3.443 2.033 159 HB3 ASN 19 HB3 ASN 19 6.678 -3.561 0.464 160 HD21 ASN 19 HD21 ASN 19 6.804 -4.759 3.824 161 HD22 ASN 19 HD22 ASN 19 7.779 -6.105 3.477 162 H VAL 20 H VAL 20 8.357 -2.236 -0.598 163 HA VAL 20 HA VAL 20 11.118 -3.229 -0.246 164 HB VAL 20 HB VAL 20 11.113 -3.132 -2.739 165 HG11 VAL 20 HG11 VAL 20 10.146 -5.060 -1.398 166 HG12 VAL 20 HG12 VAL 20 9.542 -4.915 -3.049 167 HG13 VAL 20 HG13 VAL 20 8.553 -4.364 -1.697 168 HG21 VAL 20 HG21 VAL 20 8.913 -1.330 -2.258 169 HG22 VAL 20 HG22 VAL 20 8.357 -2.681 -3.242 170 HG23 VAL 20 HG23 VAL 20 9.720 -1.699 -3.779 171 H THR 21 H THR 21 9.517 -0.130 -0.739 172 HA THR 21 HA THR 21 11.892 1.284 -1.669 173 HB THR 21 HB THR 21 9.218 2.147 -0.524 174 HG1 THR 21 HG1 THR 21 8.822 1.379 -2.476 175 HG21 THR 21 HG21 THR 21 10.848 3.927 -0.145 176 HG22 THR 21 HG22 THR 21 9.774 4.384 -1.469 177 HG23 THR 21 HG23 THR 21 11.404 3.805 -1.815 178 H LEU 22 H LEU 22 10.277 0.862 1.469 179 HA LEU 22 HA LEU 22 12.256 2.550 2.861 180 HB2 LEU 22 HB2 LEU 22 9.984 0.799 3.849 181 HB3 LEU 22 HB3 LEU 22 10.860 1.977 4.825 182 HG LEU 22 HG LEU 22 9.339 2.687 2.298 183 HD11 LEU 22 HD11 LEU 22 7.772 1.881 3.995 184 HD12 LEU 22 HD12 LEU 22 7.644 3.635 3.856 185 HD13 LEU 22 HD13 LEU 22 8.521 2.920 5.209 186 HD21 LEU 22 HD21 LEU 22 10.573 4.328 4.533 187 HD22 LEU 22 HD22 LEU 22 9.548 4.994 3.263 188 HD23 LEU 22 HD23 LEU 22 11.104 4.274 2.851 189 H ARG 23 H ARG 23 12.115 -0.703 1.864 190 HA ARG 23 HA ARG 23 13.273 -2.117 4.046 191 HB2 ARG 23 HB2 ARG 23 12.672 -2.487 1.253 192 HB3 ARG 23 HB3 ARG 23 14.275 -3.141 1.585 193 HG2 ARG 23 HG2 ARG 23 12.611 -3.910 3.756 194 HG3 ARG 23 HG3 ARG 23 11.711 -4.246 2.279 195 HD2 ARG 23 HD2 ARG 23 12.974 -6.217 2.555 196 HD3 ARG 23 HD3 ARG 23 13.999 -5.275 1.452 197 HE ARG 23 HE ARG 23 15.241 -4.485 3.507 198 HH11 ARG 23 HH11 ARG 23 15.779 -7.411 3.076 199 HH12 ARG 23 HH12 ARG 23 15.500 -8.065 4.654 200 HH21 ARG 23 HH21 ARG 23 13.783 -5.268 5.798 201 HH22 ARG 23 HH22 ARG 23 14.365 -6.848 6.201 202 HA PRO 24 HA PRO 24 17.583 -1.054 2.355 203 HB2 PRO 24 HB2 PRO 24 17.846 0.557 0.163 204 HB3 PRO 24 HB3 PRO 24 17.616 -1.197 0.048 205 HG2 PRO 24 HG2 PRO 24 15.698 0.991 -0.444 206 HG3 PRO 24 HG3 PRO 24 15.785 -0.623 -1.162 207 HD2 PRO 24 HD2 PRO 24 14.028 0.200 0.854 208 HD3 PRO 24 HD3 PRO 24 14.359 -1.473 0.365 209 H GLU 25 H GLU 25 16.572 0.365 4.338 210 HA GLU 25 HA GLU 25 16.992 3.278 3.805 211 HB2 GLU 25 HB2 GLU 25 15.338 1.607 5.576 212 HB3 GLU 25 HB3 GLU 25 16.091 2.969 6.405 213 HG2 GLU 25 HG2 GLU 25 15.260 4.405 4.434 214 HG3 GLU 25 HG3 GLU 25 14.237 3.029 4.022 215 H ARG 26 H ARG 26 17.914 0.735 6.165 216 HA ARG 26 HA ARG 26 19.833 0.500 7.510 217 HB2 ARG 26 HB2 ARG 26 20.577 1.401 4.957 218 HB3 ARG 26 HB3 ARG 26 21.482 2.427 6.070 219 HG2 ARG 26 HG2 ARG 26 22.368 0.462 7.221 220 HG3 ARG 26 HG3 ARG 26 21.395 -0.601 6.204 221 HD2 ARG 26 HD2 ARG 26 23.412 -0.675 5.039 222 HD3 ARG 26 HD3 ARG 26 22.671 0.730 4.250 223 HE ARG 26 HE ARG 26 24.359 1.150 6.678 224 HH11 ARG 26 HH11 ARG 26 26.049 0.732 4.272 225 HH12 ARG 26 HH12 ARG 26 26.202 2.333 3.631 226 HH21 ARG 26 HH21 ARG 26 23.523 3.599 5.452 227 HH22 ARG 26 HH22 ARG 26 24.766 3.963 4.301 Start of MODEL 4 1 HA ARG 1 HA ARG 1 -11.413 4.555 -8.853 2 HB2 ARG 1 HB2 ARG 1 -13.417 6.403 -10.117 3 HB3 ARG 1 HB3 ARG 1 -13.187 6.469 -8.371 4 HG2 ARG 1 HG2 ARG 1 -10.590 6.368 -9.458 5 HG3 ARG 1 HG3 ARG 1 -11.479 7.504 -10.472 6 HD2 ARG 1 HD2 ARG 1 -12.320 8.268 -7.971 7 HD3 ARG 1 HD3 ARG 1 -10.644 7.775 -7.650 8 HE ARG 1 HE ARG 1 -9.914 9.353 -9.399 9 HH11 ARG 1 HH11 ARG 1 -11.283 11.158 -7.518 10 HH12 ARG 1 HH12 ARG 1 -12.401 12.010 -8.530 11 HH21 ARG 1 HH21 ARG 1 -12.199 9.713 -11.131 12 HH22 ARG 1 HH22 ARG 1 -12.923 11.187 -10.584 13 H SER 2 H SER 2 -12.355 3.910 -6.865 14 HA SER 2 HA SER 2 -15.157 2.854 -6.943 15 HB2 SER 2 HB2 SER 2 -12.709 1.378 -6.927 16 HB3 SER 2 HB3 SER 2 -13.472 1.162 -5.355 17 HG SER 2 HG SER 2 -15.052 0.094 -6.275 18 H ALA 3 H ALA 3 -15.973 2.437 -4.663 19 HA ALA 3 HA ALA 3 -14.836 4.474 -2.777 20 HB1 ALA 3 HB1 ALA 3 -17.134 4.609 -1.936 21 HB2 ALA 3 HB2 ALA 3 -17.612 3.264 -2.973 22 HB3 ALA 3 HB3 ALA 3 -17.133 4.804 -3.689 23 H LEU 4 H LEU 4 -16.381 1.226 -2.817 24 HA LEU 4 HA LEU 4 -15.249 0.717 -0.096 25 HB2 LEU 4 HB2 LEU 4 -17.556 -0.290 -1.736 26 HB3 LEU 4 HB3 LEU 4 -16.913 -1.314 -0.452 27 HG LEU 4 HG LEU 4 -17.071 0.956 0.941 28 HD11 LEU 4 HD11 LEU 4 -17.855 2.388 -0.826 29 HD12 LEU 4 HD12 LEU 4 -19.222 2.111 0.251 30 HD13 LEU 4 HD13 LEU 4 -19.114 1.239 -1.279 31 HD21 LEU 4 HD21 LEU 4 -19.363 0.217 1.650 32 HD22 LEU 4 HD22 LEU 4 -18.202 -1.108 1.566 33 HD23 LEU 4 HD23 LEU 4 -19.386 -0.890 0.277 34 H VAL 5 H VAL 5 -14.027 0.374 -3.049 35 HA VAL 5 HA VAL 5 -13.106 -2.456 -2.662 36 HB VAL 5 HB VAL 5 -13.253 -0.658 -5.108 37 HG11 VAL 5 HG11 VAL 5 -11.393 -2.056 -5.512 38 HG12 VAL 5 HG12 VAL 5 -12.735 -2.923 -6.259 39 HG13 VAL 5 HG13 VAL 5 -12.131 -3.426 -4.680 40 HG21 VAL 5 HG21 VAL 5 -14.780 -3.174 -4.354 41 HG22 VAL 5 HG22 VAL 5 -14.977 -2.256 -5.847 42 HG23 VAL 5 HG23 VAL 5 -15.431 -1.536 -4.303 43 H ASN 6 H ASN 6 -11.926 0.736 -3.828 44 HA ASN 6 HA ASN 6 -9.129 0.035 -3.641 45 HB2 ASN 6 HB2 ASN 6 -10.633 2.022 -4.773 46 HB3 ASN 6 HB3 ASN 6 -9.926 2.876 -3.402 47 HD21 ASN 6 HD21 ASN 6 -7.375 1.724 -3.219 48 HD22 ASN 6 HD22 ASN 6 -6.511 2.008 -4.651 49 H SER 7 H SER 7 -11.467 1.142 -1.281 50 HA SER 7 HA SER 7 -9.897 2.463 0.647 51 HB2 SER 7 HB2 SER 7 -11.601 1.374 2.232 52 HB3 SER 7 HB3 SER 7 -12.273 2.281 0.882 53 HG SER 7 HG SER 7 -13.313 0.382 0.780 54 H TYR 8 H TYR 8 -10.166 -1.016 -0.015 55 HA TYR 8 HA TYR 8 -8.238 -1.639 2.175 56 HB2 TYR 8 HB2 TYR 8 -10.072 -3.090 2.260 57 HB3 TYR 8 HB3 TYR 8 -10.269 -3.104 0.509 58 HD1 TYR 8 HD1 TYR 8 -7.936 -4.211 3.223 59 HD2 TYR 8 HD2 TYR 8 -9.383 -4.862 -0.768 60 HE1 TYR 8 HE1 TYR 8 -6.617 -6.305 3.086 61 HE2 TYR 8 HE2 TYR 8 -8.064 -6.956 -0.906 62 HH TYR 8 HH TYR 8 -7.133 -8.669 1.004 63 H LEU 9 H LEU 9 -8.599 -1.701 -1.355 64 HA LEU 9 HA LEU 9 -6.207 -3.207 -1.942 65 HB2 LEU 9 HB2 LEU 9 -8.313 -1.706 -3.313 66 HB3 LEU 9 HB3 LEU 9 -6.749 -1.520 -4.102 67 HG LEU 9 HG LEU 9 -7.971 -3.466 -5.001 68 HD11 LEU 9 HD11 LEU 9 -5.778 -4.666 -3.350 69 HD12 LEU 9 HD12 LEU 9 -5.373 -3.378 -4.484 70 HD13 LEU 9 HD13 LEU 9 -6.121 -4.864 -5.068 71 HD21 LEU 9 HD21 LEU 9 -9.114 -3.862 -2.700 72 HD22 LEU 9 HD22 LEU 9 -7.662 -4.785 -2.306 73 HD23 LEU 9 HD23 LEU 9 -8.679 -5.275 -3.662 74 H TRP 10 H TRP 10 -6.851 0.272 -1.514 75 HA TRP 10 HA TRP 10 -4.408 1.333 -2.497 76 HB2 TRP 10 HB2 TRP 10 -6.170 2.824 -1.983 77 HB3 TRP 10 HB3 TRP 10 -6.417 2.122 -0.386 78 HD1 TRP 10 HD1 TRP 10 -3.704 4.118 -2.293 79 HE1 TRP 10 HE1 TRP 10 -2.492 5.637 -0.598 80 HE3 TRP 10 HE3 TRP 10 -6.032 2.665 2.011 81 HZ2 TRP 10 HZ2 TRP 10 -2.510 6.165 2.214 82 HZ3 TRP 10 HZ3 TRP 10 -5.418 3.690 4.181 83 HH2 TRP 10 HH2 TRP 10 -3.661 5.437 4.289 84 H GLN 11 H GLN 11 -5.220 0.291 0.842 85 HA GLN 11 HA GLN 11 -2.710 0.850 2.053 86 HB2 GLN 11 HB2 GLN 11 -5.111 -0.027 2.881 87 HB3 GLN 11 HB3 GLN 11 -4.274 -1.578 2.840 88 HG2 GLN 11 HG2 GLN 11 -3.286 -1.086 4.799 89 HG3 GLN 11 HG3 GLN 11 -2.511 0.308 4.048 90 HE21 GLN 11 HE21 GLN 11 -2.993 2.218 5.138 91 HE22 GLN 11 HE22 GLN 11 -4.456 2.545 5.933 92 H ARG 12 H ARG 12 -3.871 -2.198 0.540 93 HA ARG 12 HA ARG 12 -1.407 -3.654 0.907 94 HB2 ARG 12 HB2 ARG 12 -4.015 -3.937 -0.393 95 HB3 ARG 12 HB3 ARG 12 -2.725 -4.685 -1.333 96 HG2 ARG 12 HG2 ARG 12 -3.402 -6.400 0.138 97 HG3 ARG 12 HG3 ARG 12 -1.966 -5.730 0.913 98 HD2 ARG 12 HD2 ARG 12 -4.487 -4.373 1.662 99 HD3 ARG 12 HD3 ARG 12 -4.368 -6.060 2.195 100 HE ARG 12 HE ARG 12 -2.652 -3.854 3.097 101 HH11 ARG 12 HH11 ARG 12 -3.798 -6.370 4.559 102 HH12 ARG 12 HH12 ARG 12 -2.320 -7.190 4.941 103 HH21 ARG 12 HH21 ARG 12 -0.392 -5.285 2.763 104 HH22 ARG 12 HH22 ARG 12 -0.386 -6.574 3.919 105 H TRP 13 H TRP 13 -2.665 -1.613 -1.727 106 HA TRP 13 HA TRP 13 -0.713 -2.127 -3.734 107 HB2 TRP 13 HB2 TRP 13 -2.883 -0.389 -3.236 108 HB3 TRP 13 HB3 TRP 13 -1.515 0.667 -3.553 109 HD1 TRP 13 HD1 TRP 13 -4.068 0.072 -5.498 110 HE1 TRP 13 HE1 TRP 13 -3.574 -0.645 -7.929 111 HE3 TRP 13 HE3 TRP 13 0.740 -1.553 -4.973 112 HZ2 TRP 13 HZ2 TRP 13 -1.418 -1.757 -9.445 113 HZ3 TRP 13 HZ3 TRP 13 1.991 -2.433 -6.922 114 HH2 TRP 13 HH2 TRP 13 0.921 -2.535 -9.156 115 H GLU 14 H GLU 14 -0.808 0.575 -1.404 116 HA GLU 14 HA GLU 14 1.887 1.462 -1.960 117 HB2 GLU 14 HB2 GLU 14 0.001 1.971 0.362 118 HB3 GLU 14 HB3 GLU 14 1.403 2.956 -0.056 119 HG2 GLU 14 HG2 GLU 14 0.134 2.901 -2.459 120 HG3 GLU 14 HG3 GLU 14 -1.253 2.786 -1.381 121 H ASN 15 H ASN 15 0.481 -0.775 0.406 122 HA ASN 15 HA ASN 15 2.551 -0.933 2.319 123 HB2 ASN 15 HB2 ASN 15 0.547 -2.131 2.711 124 HB3 ASN 15 HB3 ASN 15 0.593 -2.897 1.125 125 HD21 ASN 15 HD21 ASN 15 3.260 -2.681 3.548 126 HD22 ASN 15 HD22 ASN 15 3.416 -4.361 3.732 127 H TRP 16 H TRP 16 2.224 -2.774 -0.744 128 HA TRP 16 HA TRP 16 4.795 -4.091 -0.527 129 HB2 TRP 16 HB2 TRP 16 3.255 -5.137 -1.958 130 HB3 TRP 16 HB3 TRP 16 2.698 -3.609 -2.636 131 HD1 TRP 16 HD1 TRP 16 5.621 -6.085 -2.833 132 HE1 TRP 16 HE1 TRP 16 6.892 -5.686 -5.040 133 HE3 TRP 16 HE3 TRP 16 3.195 -1.912 -4.510 134 HZ2 TRP 16 HZ2 TRP 16 6.883 -3.843 -7.224 135 HZ3 TRP 16 HZ3 TRP 16 3.848 -0.857 -6.654 136 HH2 TRP 16 HH2 TRP 16 5.686 -1.816 -8.014 137 H PHE 17 H PHE 17 3.637 -1.187 -2.262 138 HA PHE 17 HA PHE 17 6.024 -0.485 -3.620 139 HB2 PHE 17 HB2 PHE 17 3.820 0.526 -4.009 140 HB3 PHE 17 HB3 PHE 17 3.832 1.223 -2.390 141 HD1 PHE 17 HD1 PHE 17 5.755 1.183 -5.600 142 HD2 PHE 17 HD2 PHE 17 4.788 3.342 -2.013 143 HE1 PHE 17 HE1 PHE 17 6.982 3.159 -6.457 144 HE2 PHE 17 HE2 PHE 17 6.014 5.317 -2.872 145 HZ PHE 17 HZ PHE 17 7.113 5.226 -5.094 146 H TRP 18 H TRP 18 4.850 0.803 -0.475 147 HA TRP 18 HA TRP 18 7.222 2.248 0.188 148 HB2 TRP 18 HB2 TRP 18 5.023 0.963 1.834 149 HB3 TRP 18 HB3 TRP 18 6.242 2.028 2.530 150 HD1 TRP 18 HD1 TRP 18 2.886 2.322 1.667 151 HE1 TRP 18 HE1 TRP 18 2.235 4.637 0.736 152 HE3 TRP 18 HE3 TRP 18 7.514 4.127 0.473 153 HZ2 TRP 18 HZ2 TRP 18 3.510 6.945 -0.364 154 HZ3 TRP 18 HZ3 TRP 18 7.765 6.385 -0.513 155 HH2 TRP 18 HH2 TRP 18 5.770 7.795 -0.934 156 H ASN 19 H ASN 19 6.306 -1.149 0.722 157 HA ASN 19 HA ASN 19 8.382 -1.895 2.531 158 HB2 ASN 19 HB2 ASN 19 6.370 -3.225 1.934 159 HB3 ASN 19 HB3 ASN 19 7.035 -3.485 0.321 160 HD21 ASN 19 HD21 ASN 19 7.363 -4.386 3.729 161 HD22 ASN 19 HD22 ASN 19 8.473 -5.642 3.470 162 H VAL 20 H VAL 20 8.347 -1.859 -1.060 163 HA VAL 20 HA VAL 20 11.202 -2.686 -1.106 164 HB VAL 20 HB VAL 20 10.796 -2.891 -3.533 165 HG11 VAL 20 HG11 VAL 20 9.510 -4.812 -3.378 166 HG12 VAL 20 HG12 VAL 20 8.337 -4.068 -2.292 167 HG13 VAL 20 HG13 VAL 20 9.914 -4.570 -1.678 168 HG21 VAL 20 HG21 VAL 20 9.001 -0.892 -3.281 169 HG22 VAL 20 HG22 VAL 20 7.898 -2.267 -3.221 170 HG23 VAL 20 HG23 VAL 20 8.953 -2.044 -4.615 171 H THR 21 H THR 21 9.431 0.251 -1.081 172 HA THR 21 HA THR 21 11.469 1.731 -2.657 173 HB THR 21 HB THR 21 8.836 2.492 -1.353 174 HG1 THR 21 HG1 THR 21 8.333 1.423 -3.134 175 HG21 THR 21 HG21 THR 21 10.679 4.138 -3.109 176 HG22 THR 21 HG22 THR 21 10.342 4.431 -1.403 177 HG23 THR 21 HG23 THR 21 9.061 4.620 -2.600 178 H LEU 22 H LEU 22 10.197 1.513 0.655 179 HA LEU 22 HA LEU 22 12.033 3.581 1.656 180 HB2 LEU 22 HB2 LEU 22 10.138 1.642 3.016 181 HB3 LEU 22 HB3 LEU 22 10.958 2.976 3.825 182 HG LEU 22 HG LEU 22 9.214 3.415 1.394 183 HD11 LEU 22 HD11 LEU 22 7.991 2.288 3.335 184 HD12 LEU 22 HD12 LEU 22 7.342 3.842 2.812 185 HD13 LEU 22 HD13 LEU 22 8.332 3.745 4.268 186 HD21 LEU 22 HD21 LEU 22 10.340 5.153 3.605 187 HD22 LEU 22 HD22 LEU 22 9.058 5.703 2.525 188 HD23 LEU 22 HD23 LEU 22 10.642 5.280 1.872 189 H ARG 23 H ARG 23 12.167 0.156 1.174 190 HA ARG 23 HA ARG 23 13.955 -0.587 3.293 191 HB2 ARG 23 HB2 ARG 23 12.667 -1.755 1.056 192 HB3 ARG 23 HB3 ARG 23 14.387 -2.078 0.850 193 HG2 ARG 23 HG2 ARG 23 13.456 -2.458 3.612 194 HG3 ARG 23 HG3 ARG 23 12.681 -3.540 2.456 195 HD2 ARG 23 HD2 ARG 23 14.809 -4.393 1.698 196 HD3 ARG 23 HD3 ARG 23 15.690 -3.149 2.609 197 HE ARG 23 HE ARG 23 13.906 -5.014 4.103 198 HH11 ARG 23 HH11 ARG 23 15.802 -3.079 5.440 199 HH12 ARG 23 HH12 ARG 23 17.123 -4.117 5.862 200 HH21 ARG 23 HH21 ARG 23 16.138 -6.673 3.720 201 HH22 ARG 23 HH22 ARG 23 17.316 -6.159 4.882 202 HA PRO 24 HA PRO 24 17.521 0.210 0.186 203 HB2 PRO 24 HB2 PRO 24 16.966 1.599 -2.107 204 HB3 PRO 24 HB3 PRO 24 16.881 -0.171 -2.004 205 HG2 PRO 24 HG2 PRO 24 14.687 1.837 -1.907 206 HG3 PRO 24 HG3 PRO 24 14.730 0.249 -2.688 207 HD2 PRO 24 HD2 PRO 24 13.491 0.719 -0.312 208 HD3 PRO 24 HD3 PRO 24 14.174 -0.856 -0.764 209 H GLU 25 H GLU 25 18.883 2.133 0.004 210 HA GLU 25 HA GLU 25 17.777 4.462 1.472 211 HB2 GLU 25 HB2 GLU 25 20.505 3.415 0.717 212 HB3 GLU 25 HB3 GLU 25 20.313 5.049 1.351 213 HG2 GLU 25 HG2 GLU 25 18.942 3.914 3.249 214 HG3 GLU 25 HG3 GLU 25 19.721 2.426 2.711 215 H ARG 26 H ARG 26 19.323 3.716 -1.662 216 HA ARG 26 HA ARG 26 18.318 6.343 -2.696 217 HB2 ARG 26 HB2 ARG 26 21.076 5.101 -2.922 218 HB3 ARG 26 HB3 ARG 26 20.543 6.428 -3.952 219 HG2 ARG 26 HG2 ARG 26 20.396 6.589 -0.935 220 HG3 ARG 26 HG3 ARG 26 21.838 7.072 -1.827 221 HD2 ARG 26 HD2 ARG 26 20.876 9.016 -2.527 222 HD3 ARG 26 HD3 ARG 26 19.350 8.206 -2.933 223 HE ARG 26 HE ARG 26 18.666 8.404 -0.605 224 HH11 ARG 26 HH11 ARG 26 19.524 11.222 -1.184 225 HH12 ARG 26 HH12 ARG 26 20.561 11.569 0.159 226 HH21 ARG 26 HH21 ARG 26 20.950 8.233 1.057 227 HH22 ARG 26 HH22 ARG 26 21.372 9.872 1.433 Start of MODEL 5 1 HA ARG 1 HA ARG 1 -11.662 4.148 -6.676 2 HB2 ARG 1 HB2 ARG 1 -12.101 5.286 -8.990 3 HB3 ARG 1 HB3 ARG 1 -13.542 5.943 -8.214 4 HG2 ARG 1 HG2 ARG 1 -12.145 6.924 -6.435 5 HG3 ARG 1 HG3 ARG 1 -10.700 6.260 -7.200 6 HD2 ARG 1 HD2 ARG 1 -11.324 7.567 -9.291 7 HD3 ARG 1 HD3 ARG 1 -12.560 8.385 -8.314 8 HE ARG 1 HE ARG 1 -9.631 8.448 -7.682 9 HH11 ARG 1 HH11 ARG 1 -11.442 9.088 -5.399 10 HH12 ARG 1 HH12 ARG 1 -11.607 10.807 -5.522 11 HH21 ARG 1 HH21 ARG 1 -10.430 10.945 -8.791 12 HH22 ARG 1 HH22 ARG 1 -11.028 11.864 -7.450 13 H SER 2 H SER 2 -13.057 2.918 -5.039 14 HA SER 2 HA SER 2 -15.404 4.590 -4.178 15 HB2 SER 2 HB2 SER 2 -15.320 1.927 -4.988 16 HB3 SER 2 HB3 SER 2 -15.322 1.820 -3.231 17 HG SER 2 HG SER 2 -17.322 2.449 -3.242 18 H ALA 3 H ALA 3 -15.475 5.147 -1.991 19 HA ALA 3 HA ALA 3 -13.015 5.102 -0.464 20 HB1 ALA 3 HB1 ALA 3 -14.506 6.146 1.262 21 HB2 ALA 3 HB2 ALA 3 -15.891 5.777 0.234 22 HB3 ALA 3 HB3 ALA 3 -14.656 6.905 -0.322 23 H LEU 4 H LEU 4 -15.950 3.100 -0.430 24 HA LEU 4 HA LEU 4 -15.088 1.681 2.022 25 HB2 LEU 4 HB2 LEU 4 -17.484 2.418 1.191 26 HB3 LEU 4 HB3 LEU 4 -17.408 0.914 0.274 27 HG LEU 4 HG LEU 4 -16.572 0.003 2.675 28 HD11 LEU 4 HD11 LEU 4 -18.577 2.182 3.329 29 HD12 LEU 4 HD12 LEU 4 -16.850 2.291 3.671 30 HD13 LEU 4 HD13 LEU 4 -17.830 1.059 4.466 31 HD21 LEU 4 HD21 LEU 4 -18.762 -0.929 2.925 32 HD22 LEU 4 HD22 LEU 4 -18.529 -0.720 1.190 33 HD23 LEU 4 HD23 LEU 4 -19.513 0.432 2.094 34 H VAL 5 H VAL 5 -14.264 1.434 -1.214 35 HA VAL 5 HA VAL 5 -13.822 -1.529 -0.985 36 HB VAL 5 HB VAL 5 -14.418 0.198 -3.415 37 HG11 VAL 5 HG11 VAL 5 -13.592 -2.670 -3.081 38 HG12 VAL 5 HG12 VAL 5 -13.085 -1.499 -4.297 39 HG13 VAL 5 HG13 VAL 5 -14.684 -2.234 -4.396 40 HG21 VAL 5 HG21 VAL 5 -16.048 -1.981 -2.063 41 HG22 VAL 5 HG22 VAL 5 -16.528 -1.061 -3.488 42 HG23 VAL 5 HG23 VAL 5 -16.369 -0.252 -1.930 43 H ASN 6 H ASN 6 -12.593 1.477 -2.516 44 HA ASN 6 HA ASN 6 -10.042 0.368 -3.278 45 HB2 ASN 6 HB2 ASN 6 -11.230 2.403 -4.201 46 HB3 ASN 6 HB3 ASN 6 -10.774 3.257 -2.727 47 HD21 ASN 6 HD21 ASN 6 -9.133 4.673 -3.480 48 HD22 ASN 6 HD22 ASN 6 -7.738 4.148 -4.294 49 H SER 7 H SER 7 -11.252 1.515 -0.205 50 HA SER 7 HA SER 7 -8.962 2.536 1.073 51 HB2 SER 7 HB2 SER 7 -11.367 2.236 1.911 52 HB3 SER 7 HB3 SER 7 -10.922 0.577 2.301 53 HG SER 7 HG SER 7 -10.632 2.025 4.068 54 H TYR 8 H TYR 8 -9.972 -0.907 0.887 55 HA TYR 8 HA TYR 8 -7.507 -1.904 2.077 56 HB2 TYR 8 HB2 TYR 8 -9.560 -3.154 2.284 57 HB3 TYR 8 HB3 TYR 8 -9.819 -3.130 0.540 58 HD1 TYR 8 HD1 TYR 8 -7.607 -4.459 3.226 59 HD2 TYR 8 HD2 TYR 8 -8.817 -4.753 -0.885 60 HE1 TYR 8 HE2 TYR 8 -6.330 -6.572 3.000 61 HE2 TYR 8 HE1 TYR 8 -7.541 -6.865 -1.110 62 HH TYR 8 HH TYR 8 -5.253 -7.883 1.127 63 H LEU 9 H LEU 9 -8.778 -1.604 -1.246 64 HA LEU 9 HA LEU 9 -6.700 -2.945 -2.652 65 HB2 LEU 9 HB2 LEU 9 -8.651 -0.726 -3.249 66 HB3 LEU 9 HB3 LEU 9 -7.490 -1.233 -4.474 67 HG LEU 9 HG LEU 9 -9.364 -3.137 -3.041 68 HD11 LEU 9 HD11 LEU 9 -10.671 -1.576 -4.396 69 HD12 LEU 9 HD12 LEU 9 -10.624 -3.149 -5.192 70 HD13 LEU 9 HD13 LEU 9 -9.600 -1.836 -5.773 71 HD21 LEU 9 HD21 LEU 9 -7.474 -3.376 -5.398 72 HD22 LEU 9 HD22 LEU 9 -8.729 -4.568 -5.059 73 HD23 LEU 9 HD23 LEU 9 -7.438 -4.291 -3.891 74 H TRP 10 H TRP 10 -6.925 0.427 -1.512 75 HA TRP 10 HA TRP 10 -4.534 1.388 -2.809 76 HB2 TRP 10 HB2 TRP 10 -6.146 2.966 -2.051 77 HB3 TRP 10 HB3 TRP 10 -6.237 2.227 -0.454 78 HD1 TRP 10 HD1 TRP 10 -3.879 4.340 -2.626 79 HE1 TRP 10 HE1 TRP 10 -2.258 5.614 -1.081 80 HE3 TRP 10 HE3 TRP 10 -5.173 2.302 1.869 81 HZ2 TRP 10 HZ2 TRP 10 -1.595 5.745 1.698 82 HZ3 TRP 10 HZ3 TRP 10 -4.030 3.015 3.948 83 HH2 TRP 10 HH2 TRP 10 -2.243 4.733 3.869 84 H GLN 11 H GLN 11 -5.144 0.262 0.548 85 HA GLN 11 HA GLN 11 -2.440 0.523 1.458 86 HB2 GLN 11 HB2 GLN 11 -4.623 0.229 2.770 87 HB3 GLN 11 HB3 GLN 11 -4.501 -1.492 2.399 88 HG2 GLN 11 HG2 GLN 11 -1.952 -0.841 3.311 89 HG3 GLN 11 HG3 GLN 11 -3.019 0.091 4.362 90 HE21 GLN 11 HE21 GLN 11 -3.091 -1.175 6.261 91 HE22 GLN 11 HE22 GLN 11 -3.529 -2.815 6.292 92 H ARG 12 H ARG 12 -4.214 -2.257 0.053 93 HA ARG 12 HA ARG 12 -2.130 -4.206 0.295 94 HB2 ARG 12 HB2 ARG 12 -4.666 -4.329 -0.367 95 HB3 ARG 12 HB3 ARG 12 -4.072 -4.069 -2.008 96 HG2 ARG 12 HG2 ARG 12 -2.653 -6.138 -0.412 97 HG3 ARG 12 HG3 ARG 12 -4.300 -6.528 -0.906 98 HD2 ARG 12 HD2 ARG 12 -3.595 -5.775 -3.273 99 HD3 ARG 12 HD3 ARG 12 -1.929 -5.878 -2.670 100 HE ARG 12 HE ARG 12 -3.783 -8.152 -3.015 101 HH11 ARG 12 HH11 ARG 12 -0.755 -7.784 -3.719 102 HH12 ARG 12 HH12 ARG 12 -0.054 -8.918 -2.614 103 HH21 ARG 12 HH21 ARG 12 -2.943 -9.252 -0.711 104 HH22 ARG 12 HH22 ARG 12 -1.297 -9.754 -0.906 105 H TRP 13 H TRP 13 -2.591 -1.546 -1.941 106 HA TRP 13 HA TRP 13 -0.644 -2.524 -3.923 107 HB2 TRP 13 HB2 TRP 13 -2.804 -0.760 -3.832 108 HB3 TRP 13 HB3 TRP 13 -1.411 0.310 -3.950 109 HD1 TRP 13 HD1 TRP 13 -3.539 -0.173 -6.288 110 HE1 TRP 13 HE1 TRP 13 -2.696 -0.994 -8.585 111 HE3 TRP 13 HE3 TRP 13 0.950 -2.162 -4.912 112 HZ2 TRP 13 HZ2 TRP 13 -0.409 -2.318 -9.687 113 HZ3 TRP 13 HZ3 TRP 13 2.443 -3.195 -6.598 114 HH2 TRP 13 HH2 TRP 13 1.770 -3.273 -8.982 115 H GLU 14 H GLU 14 -0.860 0.296 -1.736 116 HA GLU 14 HA GLU 14 1.871 1.123 -2.118 117 HB2 GLU 14 HB2 GLU 14 -0.168 1.705 0.048 118 HB3 GLU 14 HB3 GLU 14 1.297 2.642 -0.246 119 HG2 GLU 14 HG2 GLU 14 0.205 2.551 -2.762 120 HG3 GLU 14 HG3 GLU 14 -1.243 2.602 -1.758 121 H ASN 15 H ASN 15 0.395 -1.221 0.067 122 HA ASN 15 HA ASN 15 2.239 -1.294 2.198 123 HB2 ASN 15 HB2 ASN 15 0.268 -2.668 2.202 124 HB3 ASN 15 HB3 ASN 15 0.731 -3.451 0.693 125 HD21 ASN 15 HD21 ASN 15 2.929 -2.841 3.474 126 HD22 ASN 15 HD22 ASN 15 3.195 -4.483 3.814 127 H TRP 16 H TRP 16 2.427 -3.180 -0.860 128 HA TRP 16 HA TRP 16 5.117 -4.134 -0.390 129 HB2 TRP 16 HB2 TRP 16 3.911 -5.412 -1.925 130 HB3 TRP 16 HB3 TRP 16 3.144 -4.002 -2.650 131 HD1 TRP 16 HD1 TRP 16 6.419 -5.987 -2.690 132 HE1 TRP 16 HE1 TRP 16 7.731 -5.379 -4.823 133 HE3 TRP 16 HE3 TRP 16 3.494 -2.195 -4.473 134 HZ2 TRP 16 HZ2 TRP 16 7.564 -3.529 -6.997 135 HZ3 TRP 16 HZ3 TRP 16 4.096 -1.029 -6.575 136 HH2 TRP 16 HH2 TRP 16 6.125 -1.690 -7.838 137 H PHE 17 H PHE 17 3.759 -1.396 -2.226 138 HA PHE 17 HA PHE 17 6.098 -0.426 -3.481 139 HB2 PHE 17 HB2 PHE 17 3.972 0.455 -4.073 140 HB3 PHE 17 HB3 PHE 17 3.572 0.827 -2.400 141 HD1 PHE 17 HD1 PHE 17 6.158 1.679 -4.988 142 HD2 PHE 17 HD2 PHE 17 3.796 3.024 -1.662 143 HE1 PHE 17 HE2 PHE 17 7.058 3.971 -5.276 144 HE2 PHE 17 HE1 PHE 17 4.696 5.317 -1.952 145 HZ PHE 17 HZ PHE 17 6.327 5.790 -3.756 146 H TRP 18 H TRP 18 4.726 0.666 -0.335 147 HA TRP 18 HA TRP 18 6.900 2.377 0.376 148 HB2 TRP 18 HB2 TRP 18 4.808 0.842 1.935 149 HB3 TRP 18 HB3 TRP 18 5.934 1.944 2.722 150 HD1 TRP 18 HD1 TRP 18 2.590 2.013 1.637 151 HE1 TRP 18 HE1 TRP 18 1.806 4.349 0.874 152 HE3 TRP 18 HE3 TRP 18 7.114 4.302 1.033 153 HZ2 TRP 18 HZ2 TRP 18 2.950 6.857 0.116 154 HZ3 TRP 18 HZ3 TRP 18 7.238 6.662 0.292 155 HH2 TRP 18 HH2 TRP 18 5.164 7.942 -0.167 156 H ASN 19 H ASN 19 6.332 -1.090 1.079 157 HA ASN 19 HA ASN 19 8.458 -1.584 2.860 158 HB2 ASN 19 HB2 ASN 19 6.818 -3.085 0.911 159 HB3 ASN 19 HB3 ASN 19 8.343 -3.859 1.346 160 HD21 ASN 19 HD21 ASN 19 5.270 -2.651 2.686 161 HD22 ASN 19 HD22 ASN 19 5.401 -3.476 4.163 162 H VAL 20 H VAL 20 8.583 -1.567 -0.731 163 HA VAL 20 HA VAL 20 11.499 -2.083 -0.659 164 HB VAL 20 HB VAL 20 11.233 -2.153 -3.122 165 HG11 VAL 20 HG11 VAL 20 10.621 -4.097 -1.565 166 HG12 VAL 20 HG12 VAL 20 9.961 -4.159 -3.199 167 HG13 VAL 20 HG13 VAL 20 8.938 -3.655 -1.854 168 HG21 VAL 20 HG21 VAL 20 9.407 -0.352 -3.121 169 HG22 VAL 20 HG22 VAL 20 8.286 -1.632 -2.664 170 HG23 VAL 20 HG23 VAL 20 9.144 -1.722 -4.200 171 H THR 21 H THR 21 9.338 0.656 -0.954 172 HA THR 21 HA THR 21 11.334 2.427 -2.175 173 HB THR 21 HB THR 21 8.627 2.882 -0.876 174 HG1 THR 21 HG1 THR 21 8.230 1.848 -2.707 175 HG21 THR 21 HG21 THR 21 10.407 4.742 -2.472 176 HG22 THR 21 HG22 THR 21 9.873 4.957 -0.805 177 HG23 THR 21 HG23 THR 21 8.709 5.062 -2.125 178 H LEU 22 H LEU 22 10.307 1.560 1.065 179 HA LEU 22 HA LEU 22 11.621 3.846 2.356 180 HB2 LEU 22 HB2 LEU 22 10.333 1.278 3.316 181 HB3 LEU 22 HB3 LEU 22 10.994 2.487 4.416 182 HG LEU 22 HG LEU 22 8.945 3.179 2.299 183 HD11 LEU 22 HD11 LEU 22 7.193 2.775 3.796 184 HD12 LEU 22 HD12 LEU 22 8.259 2.780 5.200 185 HD13 LEU 22 HD13 LEU 22 8.257 1.403 4.100 186 HD21 LEU 22 HD21 LEU 22 8.591 4.941 4.298 187 HD22 LEU 22 HD22 LEU 22 9.781 5.200 3.024 188 HD23 LEU 22 HD23 LEU 22 10.287 4.552 4.584 189 H ARG 23 H ARG 23 12.649 0.799 1.153 190 HA ARG 23 HA ARG 23 14.699 0.103 3.027 191 HB2 ARG 23 HB2 ARG 23 14.094 -0.434 0.131 192 HB3 ARG 23 HB3 ARG 23 15.626 -0.986 0.810 193 HG2 ARG 23 HG2 ARG 23 13.454 -1.612 2.616 194 HG3 ARG 23 HG3 ARG 23 13.116 -2.261 1.012 195 HD2 ARG 23 HD2 ARG 23 15.012 -3.640 1.023 196 HD3 ARG 23 HD3 ARG 23 15.852 -2.639 2.224 197 HE ARG 23 HE ARG 23 14.625 -3.736 3.940 198 HH11 ARG 23 HH11 ARG 23 14.670 -6.199 2.312 199 HH12 ARG 23 HH12 ARG 23 12.994 -6.620 2.193 200 HH21 ARG 23 HH21 ARG 23 11.868 -3.472 3.143 201 HH22 ARG 23 HH22 ARG 23 11.402 -5.072 2.669 202 HA PRO 24 HA PRO 24 17.729 2.587 0.248 203 HB2 PRO 24 HB2 PRO 24 16.681 4.288 -1.623 204 HB3 PRO 24 HB3 PRO 24 17.072 2.592 -1.968 205 HG2 PRO 24 HG2 PRO 24 14.437 3.845 -1.380 206 HG3 PRO 24 HG3 PRO 24 14.848 2.568 -2.535 207 HD2 PRO 24 HD2 PRO 24 13.682 2.092 -0.124 208 HD3 PRO 24 HD3 PRO 24 14.723 0.919 -0.958 209 H GLU 25 H GLU 25 18.203 5.115 -0.014 210 HA GLU 25 HA GLU 25 17.506 6.410 2.459 211 HB2 GLU 25 HB2 GLU 25 19.267 6.746 0.232 212 HB3 GLU 25 HB3 GLU 25 18.415 8.271 0.470 213 HG2 GLU 25 HG2 GLU 25 19.562 6.823 2.842 214 HG3 GLU 25 HG3 GLU 25 20.615 7.805 1.825 215 H ARG 26 H ARG 26 16.493 8.667 2.500 216 HA ARG 26 HA ARG 26 14.062 8.721 0.740 217 HB2 ARG 26 HB2 ARG 26 14.657 9.392 3.608 218 HB3 ARG 26 HB3 ARG 26 13.315 10.200 2.803 219 HG2 ARG 26 HG2 ARG 26 12.214 8.336 3.624 220 HG3 ARG 26 HG3 ARG 26 12.716 7.721 2.051 221 HD2 ARG 26 HD2 ARG 26 13.393 6.014 3.555 222 HD3 ARG 26 HD3 ARG 26 14.880 6.946 3.311 223 HE ARG 26 HE ARG 26 13.242 6.927 5.760 224 HH11 ARG 26 HH11 ARG 26 16.354 7.139 4.961 225 HH12 ARG 26 HH12 ARG 26 16.722 8.622 5.775 226 HH21 ARG 26 HH21 ARG 26 13.391 9.441 6.349 227 HH22 ARG 26 HH22 ARG 26 15.038 9.928 6.569 Start of MODEL 6 1 HA ARG 1 HA ARG 1 -17.683 -1.316 -8.185 2 HB2 ARG 1 HB2 ARG 1 -16.224 0.546 -7.644 3 HB3 ARG 1 HB3 ARG 1 -17.192 1.013 -9.041 4 HG2 ARG 1 HG2 ARG 1 -18.811 1.881 -7.037 5 HG3 ARG 1 HG3 ARG 1 -17.236 2.073 -6.267 6 HD2 ARG 1 HD2 ARG 1 -16.637 3.149 -8.662 7 HD3 ARG 1 HD3 ARG 1 -18.374 3.511 -8.622 8 HE ARG 1 HE ARG 1 -16.388 4.422 -6.589 9 HH11 ARG 1 HH11 ARG 1 -17.897 6.385 -8.259 10 HH12 ARG 1 HH12 ARG 1 -19.190 6.853 -7.207 11 HH21 ARG 1 HH21 ARG 1 -18.774 4.149 -5.062 12 HH22 ARG 1 HH22 ARG 1 -19.687 5.584 -5.388 13 H SER 2 H SER 2 -16.674 -1.621 -6.023 14 HA SER 2 HA SER 2 -18.717 -1.620 -3.871 15 HB2 SER 2 HB2 SER 2 -17.143 -3.548 -4.616 16 HB3 SER 2 HB3 SER 2 -15.885 -2.671 -3.745 17 HG SER 2 HG SER 2 -17.542 -4.338 -2.708 18 H ALA 3 H ALA 3 -17.492 -1.256 -1.572 19 HA ALA 3 HA ALA 3 -16.125 1.414 -1.759 20 HB1 ALA 3 HB1 ALA 3 -17.251 1.710 0.529 21 HB2 ALA 3 HB2 ALA 3 -18.157 0.244 0.154 22 HB3 ALA 3 HB3 ALA 3 -18.326 1.672 -0.867 23 H LEU 4 H LEU 4 -16.417 -1.539 0.273 24 HA LEU 4 HA LEU 4 -13.930 -0.880 1.718 25 HB2 LEU 4 HB2 LEU 4 -16.115 -2.928 1.828 26 HB3 LEU 4 HB3 LEU 4 -14.585 -3.294 2.626 27 HG LEU 4 HG LEU 4 -15.673 -0.580 3.128 28 HD11 LEU 4 HD11 LEU 4 -17.312 -1.363 4.760 29 HD12 LEU 4 HD12 LEU 4 -16.936 -3.042 4.373 30 HD13 LEU 4 HD13 LEU 4 -17.716 -2.013 3.172 31 HD21 LEU 4 HD21 LEU 4 -14.851 -1.091 5.388 32 HD22 LEU 4 HD22 LEU 4 -13.614 -1.482 4.194 33 HD23 LEU 4 HD23 LEU 4 -14.573 -2.769 4.924 34 H VAL 5 H VAL 5 -14.081 -1.746 -1.323 35 HA VAL 5 HA VAL 5 -12.213 -4.077 -1.155 36 HB VAL 5 HB VAL 5 -13.888 -2.895 -3.400 37 HG11 VAL 5 HG11 VAL 5 -12.135 -3.829 -4.602 38 HG12 VAL 5 HG12 VAL 5 -13.164 -5.247 -4.404 39 HG13 VAL 5 HG13 VAL 5 -11.769 -5.015 -3.349 40 HG21 VAL 5 HG21 VAL 5 -14.097 -5.423 -1.736 41 HG22 VAL 5 HG22 VAL 5 -15.046 -5.133 -3.195 42 HG23 VAL 5 HG23 VAL 5 -15.247 -4.086 -1.789 43 H ASN 6 H ASN 6 -12.647 -1.070 -3.078 44 HA ASN 6 HA ASN 6 -9.929 -0.979 -4.030 45 HB2 ASN 6 HB2 ASN 6 -12.187 1.020 -3.758 46 HB3 ASN 6 HB3 ASN 6 -10.644 1.450 -4.496 47 HD21 ASN 6 HD21 ASN 6 -13.711 0.184 -5.202 48 HD22 ASN 6 HD22 ASN 6 -13.344 -0.533 -6.695 49 H SER 7 H SER 7 -11.560 0.546 -1.223 50 HA SER 7 HA SER 7 -9.443 2.238 -0.358 51 HB2 SER 7 HB2 SER 7 -11.888 1.915 0.482 52 HB3 SER 7 HB3 SER 7 -11.219 0.644 1.501 53 HG SER 7 HG SER 7 -9.794 2.202 2.372 54 H TYR 8 H TYR 8 -10.168 -1.135 0.651 55 HA TYR 8 HA TYR 8 -7.821 -1.541 2.236 56 HB2 TYR 8 HB2 TYR 8 -9.607 -3.084 2.462 57 HB3 TYR 8 HB3 TYR 8 -9.769 -3.287 0.719 58 HD1 TYR 8 HD1 TYR 8 -7.314 -3.843 3.502 59 HD2 TYR 8 HD2 TYR 8 -8.779 -5.137 -0.323 60 HE1 TYR 8 HE1 TYR 8 -5.801 -5.806 3.586 61 HE2 TYR 8 HE2 TYR 8 -7.267 -7.101 -0.238 62 HH TYR 8 HH TYR 8 -5.901 -8.253 2.426 63 H LEU 9 H LEU 9 -8.495 -2.188 -1.214 64 HA LEU 9 HA LEU 9 -6.012 -3.373 -1.938 65 HB2 LEU 9 HB2 LEU 9 -8.285 -1.956 -3.238 66 HB3 LEU 9 HB3 LEU 9 -6.802 -2.056 -4.184 67 HG LEU 9 HG LEU 9 -8.120 -4.443 -2.861 68 HD11 LEU 9 HD11 LEU 9 -8.176 -3.670 -5.791 69 HD12 LEU 9 HD12 LEU 9 -9.508 -3.356 -4.676 70 HD13 LEU 9 HD13 LEU 9 -9.021 -5.016 -5.025 71 HD21 LEU 9 HD21 LEU 9 -5.869 -5.001 -3.226 72 HD22 LEU 9 HD22 LEU 9 -5.762 -4.020 -4.687 73 HD23 LEU 9 HD23 LEU 9 -6.636 -5.552 -4.715 74 H TRP 10 H TRP 10 -6.999 0.059 -1.839 75 HA TRP 10 HA TRP 10 -4.614 1.193 -2.940 76 HB2 TRP 10 HB2 TRP 10 -6.647 2.465 -2.741 77 HB3 TRP 10 HB3 TRP 10 -6.743 2.159 -1.010 78 HD1 TRP 10 HD1 TRP 10 -4.287 3.855 -3.479 79 HE1 TRP 10 HE1 TRP 10 -3.278 5.920 -2.312 80 HE3 TRP 10 HE3 TRP 10 -6.483 3.429 1.106 81 HZ2 TRP 10 HZ2 TRP 10 -3.388 7.216 0.236 82 HZ3 TRP 10 HZ3 TRP 10 -6.014 5.088 2.885 83 HH2 TRP 10 HH2 TRP 10 -4.470 6.981 2.455 84 H GLN 11 H GLN 11 -5.560 0.652 0.482 85 HA GLN 11 HA GLN 11 -3.207 1.675 1.702 86 HB2 GLN 11 HB2 GLN 11 -5.204 -0.481 2.437 87 HB3 GLN 11 HB3 GLN 11 -3.933 0.035 3.546 88 HG2 GLN 11 HG2 GLN 11 -4.803 2.214 3.730 89 HG3 GLN 11 HG3 GLN 11 -5.743 2.063 2.247 90 HE21 GLN 11 HE21 GLN 11 -5.798 1.538 5.689 91 HE22 GLN 11 HE22 GLN 11 -7.354 0.867 5.767 92 H ARG 12 H ARG 12 -3.892 -1.545 0.349 93 HA ARG 12 HA ARG 12 -1.456 -2.811 1.266 94 HB2 ARG 12 HB2 ARG 12 -3.777 -3.681 0.280 95 HB3 ARG 12 HB3 ARG 12 -2.885 -3.625 -1.240 96 HG2 ARG 12 HG2 ARG 12 -1.102 -5.024 -0.230 97 HG3 ARG 12 HG3 ARG 12 -2.038 -5.113 1.263 98 HD2 ARG 12 HD2 ARG 12 -3.952 -5.937 -0.429 99 HD3 ARG 12 HD3 ARG 12 -2.534 -6.455 -1.362 100 HE ARG 12 HE ARG 12 -2.573 -7.141 1.527 101 HH11 ARG 12 HH11 ARG 12 -0.720 -8.434 -0.450 102 HH12 ARG 12 HH12 ARG 12 -1.498 -9.955 -0.734 103 HH21 ARG 12 HH21 ARG 12 -4.547 -8.939 0.598 104 HH22 ARG 12 HH22 ARG 12 -3.674 -10.244 -0.138 105 H TRP 13 H TRP 13 -2.369 -1.075 -1.722 106 HA TRP 13 HA TRP 13 -0.048 -1.641 -3.271 107 HB2 TRP 13 HB2 TRP 13 -1.281 -0.392 -4.703 108 HB3 TRP 13 HB3 TRP 13 -2.400 -0.055 -3.391 109 HD1 TRP 13 HD1 TRP 13 -2.696 2.397 -2.831 110 HE1 TRP 13 HE1 TRP 13 -1.363 4.564 -3.226 111 HE3 TRP 13 HE3 TRP 13 1.489 0.470 -5.023 112 HZ2 TRP 13 HZ2 TRP 13 1.145 5.377 -4.337 113 HZ3 TRP 13 HZ3 TRP 13 3.332 1.960 -5.746 114 HH2 TRP 13 HH2 TRP 13 3.165 4.410 -5.405 115 H GLU 14 H GLU 14 -0.665 0.920 -0.862 116 HA GLU 14 HA GLU 14 1.879 2.257 -1.157 117 HB2 GLU 14 HB2 GLU 14 -0.083 2.031 1.152 118 HB3 GLU 14 HB3 GLU 14 1.228 3.208 1.066 119 HG2 GLU 14 HG2 GLU 14 0.271 4.237 -0.896 120 HG3 GLU 14 HG3 GLU 14 -0.940 2.962 -1.033 121 H ASN 15 H ASN 15 0.682 -0.183 1.178 122 HA ASN 15 HA ASN 15 3.048 -0.527 2.702 123 HB2 ASN 15 HB2 ASN 15 1.087 -1.542 3.512 124 HB3 ASN 15 HB3 ASN 15 0.679 -2.226 1.940 125 HD21 ASN 15 HD21 ASN 15 3.751 -2.438 3.839 126 HD22 ASN 15 HD22 ASN 15 3.771 -4.135 3.879 127 H TRP 16 H TRP 16 1.971 -2.313 -0.224 128 HA TRP 16 HA TRP 16 4.299 -3.967 -0.481 129 HB2 TRP 16 HB2 TRP 16 2.437 -4.630 -1.742 130 HB3 TRP 16 HB3 TRP 16 2.075 -2.982 -2.254 131 HD1 TRP 16 HD1 TRP 16 4.594 -5.817 -2.927 132 HE1 TRP 16 HE1 TRP 16 5.576 -5.490 -5.287 133 HE3 TRP 16 HE3 TRP 16 2.450 -1.350 -4.168 134 HZ2 TRP 16 HZ2 TRP 16 5.468 -3.586 -7.419 135 HZ3 TRP 16 HZ3 TRP 16 2.908 -0.304 -6.366 136 HH2 TRP 16 HH2 TRP 16 4.413 -1.416 -7.992 137 H PHE 17 H PHE 17 3.458 -0.823 -1.982 138 HA PHE 17 HA PHE 17 5.805 -0.448 -3.536 139 HB2 PHE 17 HB2 PHE 17 3.713 0.890 -3.636 140 HB3 PHE 17 HB3 PHE 17 4.089 1.576 -2.056 141 HD1 PHE 17 HD1 PHE 17 5.533 1.158 -5.489 142 HD2 PHE 17 HD2 PHE 17 5.389 3.522 -1.905 143 HE1 PHE 17 HE1 PHE 17 6.939 2.888 -6.574 144 HE2 PHE 17 HE2 PHE 17 6.795 5.251 -2.990 145 HZ PHE 17 HZ PHE 17 7.570 4.935 -5.325 146 H TRP 18 H TRP 18 5.101 0.718 -0.213 147 HA TRP 18 HA TRP 18 7.700 1.823 0.275 148 HB2 TRP 18 HB2 TRP 18 5.499 0.751 2.061 149 HB3 TRP 18 HB3 TRP 18 6.915 1.592 2.687 150 HD1 TRP 18 HD1 TRP 18 3.678 2.529 2.491 151 HE1 TRP 18 HE1 TRP 18 3.249 4.914 1.625 152 HE3 TRP 18 HE3 TRP 18 8.137 3.455 0.164 153 HZ2 TRP 18 HZ2 TRP 18 4.605 6.945 0.146 154 HZ3 TRP 18 HZ3 TRP 18 8.536 5.621 -0.963 155 HH2 TRP 18 HH2 TRP 18 6.778 7.368 -0.975 156 H ASN 19 H ASN 19 6.441 -1.477 0.562 157 HA ASN 19 HA ASN 19 8.621 -2.532 2.149 158 HB2 ASN 19 HB2 ASN 19 6.189 -3.412 0.902 159 HB3 ASN 19 HB3 ASN 19 7.479 -4.524 0.450 160 HD21 ASN 19 HD21 ASN 19 8.685 -5.592 2.247 161 HD22 ASN 19 HD22 ASN 19 7.966 -5.732 3.779 162 H VAL 20 H VAL 20 8.032 -2.345 -1.383 163 HA VAL 20 HA VAL 20 10.632 -3.641 -1.947 164 HB VAL 20 HB VAL 20 9.890 -3.463 -4.285 165 HG11 VAL 20 HG11 VAL 20 8.963 -5.256 -2.769 166 HG12 VAL 20 HG12 VAL 20 7.935 -4.866 -4.147 167 HG13 VAL 20 HG13 VAL 20 7.537 -4.244 -2.546 168 HG21 VAL 20 HG21 VAL 20 7.533 -1.905 -3.172 169 HG22 VAL 20 HG22 VAL 20 7.756 -2.387 -4.853 170 HG23 VAL 20 HG23 VAL 20 8.849 -1.214 -4.121 171 H THR 21 H THR 21 9.277 -0.384 -1.847 172 HA THR 21 HA THR 21 11.535 0.816 -3.299 173 HB THR 21 HB THR 21 9.239 2.004 -1.707 174 HG1 THR 21 HG1 THR 21 8.274 1.115 -3.384 175 HG21 THR 21 HG21 THR 21 9.756 4.003 -3.221 176 HG22 THR 21 HG22 THR 21 11.293 3.207 -3.567 177 HG23 THR 21 HG23 THR 21 10.902 3.693 -1.916 178 H LEU 22 H LEU 22 10.328 0.864 0.070 179 HA LEU 22 HA LEU 22 12.821 2.166 0.991 180 HB2 LEU 22 HB2 LEU 22 10.366 1.183 2.483 181 HB3 LEU 22 HB3 LEU 22 11.628 2.212 3.153 182 HG LEU 22 HG LEU 22 9.996 2.989 0.724 183 HD11 LEU 22 HD11 LEU 22 9.543 3.589 3.660 184 HD12 LEU 22 HD12 LEU 22 8.441 2.759 2.562 185 HD13 LEU 22 HD13 LEU 22 8.769 4.479 2.348 186 HD21 LEU 22 HD21 LEU 22 12.046 4.230 0.874 187 HD22 LEU 22 HD22 LEU 22 11.867 4.441 2.616 188 HD23 LEU 22 HD23 LEU 22 10.786 5.288 1.509 189 H ARG 23 H ARG 23 11.087 -0.907 1.454 190 HA ARG 23 HA ARG 23 11.809 -2.994 2.288 191 HB2 ARG 23 HB2 ARG 23 13.351 -2.170 0.212 192 HB3 ARG 23 HB3 ARG 23 14.593 -2.370 1.447 193 HG2 ARG 23 HG2 ARG 23 14.432 -4.625 1.391 194 HG3 ARG 23 HG3 ARG 23 12.668 -4.578 1.415 195 HD2 ARG 23 HD2 ARG 23 12.505 -4.465 -0.920 196 HD3 ARG 23 HD3 ARG 23 14.144 -3.808 -1.099 197 HE ARG 23 HE ARG 23 15.041 -6.025 -0.624 198 HH11 ARG 23 HH11 ARG 23 12.894 -6.510 -2.745 199 HH12 ARG 23 HH12 ARG 23 12.088 -7.896 -2.092 200 HH21 ARG 23 HH21 ARG 23 13.451 -7.515 1.085 201 HH22 ARG 23 HH22 ARG 23 12.406 -8.469 0.086 202 HA PRO 24 HA PRO 24 13.829 -0.919 5.967 203 HB2 PRO 24 HB2 PRO 24 11.834 -1.467 7.761 204 HB3 PRO 24 HB3 PRO 24 11.864 0.002 6.764 205 HG2 PRO 24 HG2 PRO 24 10.314 -2.511 6.386 206 HG3 PRO 24 HG3 PRO 24 9.826 -0.831 6.111 207 HD2 PRO 24 HD2 PRO 24 10.555 -2.528 4.108 208 HD3 PRO 24 HD3 PRO 24 10.756 -0.765 4.022 209 H GLU 25 H GLU 25 14.541 -2.066 7.968 210 HA GLU 25 HA GLU 25 14.570 -5.034 7.568 211 HB2 GLU 25 HB2 GLU 25 16.697 -4.899 8.852 212 HB3 GLU 25 HB3 GLU 25 16.732 -3.869 7.423 213 HG2 GLU 25 HG2 GLU 25 16.288 -1.895 8.759 214 HG3 GLU 25 HG3 GLU 25 16.023 -2.876 10.201 215 H ARG 26 H ARG 26 12.307 -3.862 8.841 216 HA ARG 26 HA ARG 26 10.982 -4.075 10.773 217 HB2 ARG 26 HB2 ARG 26 13.013 -6.274 10.839 218 HB3 ARG 26 HB3 ARG 26 11.999 -6.051 12.262 219 HG2 ARG 26 HG2 ARG 26 10.735 -6.110 9.535 220 HG3 ARG 26 HG3 ARG 26 11.174 -7.623 10.328 221 HD2 ARG 26 HD2 ARG 26 9.154 -7.462 11.374 222 HD3 ARG 26 HD3 ARG 26 9.906 -6.190 12.356 223 HE ARG 26 HE ARG 26 9.137 -4.569 10.562 224 HH11 ARG 26 HH11 ARG 26 8.211 -6.632 8.587 225 HH12 ARG 26 HH12 ARG 26 6.499 -6.640 8.850 226 HH21 ARG 26 HH21 ARG 26 6.701 -5.016 11.918 227 HH22 ARG 26 HH22 ARG 26 5.640 -5.722 10.745 Start of MODEL 7 1 HA ARG 1 HA ARG 1 -16.788 -3.620 -3.985 2 HB2 ARG 1 HB2 ARG 1 -16.098 -1.990 -5.638 3 HB3 ARG 1 HB3 ARG 1 -16.821 -3.345 -6.500 4 HG2 ARG 1 HG2 ARG 1 -18.120 -1.803 -7.527 5 HG3 ARG 1 HG3 ARG 1 -18.997 -1.692 -6.001 6 HD2 ARG 1 HD2 ARG 1 -17.029 -0.011 -5.370 7 HD3 ARG 1 HD3 ARG 1 -16.933 0.165 -7.134 8 HE ARG 1 HE ARG 1 -19.424 0.643 -5.539 9 HH11 ARG 1 HH11 ARG 1 -17.855 2.941 -6.701 10 HH12 ARG 1 HH12 ARG 1 -18.713 3.250 -8.173 11 HH21 ARG 1 HH21 ARG 1 -20.370 0.193 -8.152 12 HH22 ARG 1 HH22 ARG 1 -20.144 1.686 -8.997 13 H SER 2 H SER 2 -16.371 -1.813 -2.622 14 HA SER 2 HA SER 2 -18.515 0.220 -2.266 15 HB2 SER 2 HB2 SER 2 -18.981 -1.803 -0.838 16 HB3 SER 2 HB3 SER 2 -17.441 -1.529 -0.029 17 HG SER 2 HG SER 2 -19.656 -0.519 0.700 18 H ALA 3 H ALA 3 -17.735 1.815 -0.450 19 HA ALA 3 HA ALA 3 -15.215 2.960 -1.206 20 HB1 ALA 3 HB1 ALA 3 -17.137 4.187 -0.251 21 HB2 ALA 3 HB2 ALA 3 -15.688 4.450 0.720 22 HB3 ALA 3 HB3 ALA 3 -16.930 3.327 1.275 23 H LEU 4 H LEU 4 -16.118 0.709 1.380 24 HA LEU 4 HA LEU 4 -13.612 0.920 2.842 25 HB2 LEU 4 HB2 LEU 4 -16.116 -0.665 2.865 26 HB3 LEU 4 HB3 LEU 4 -14.708 -1.496 3.520 27 HG LEU 4 HG LEU 4 -15.943 -0.256 5.277 28 HD11 LEU 4 HD11 LEU 4 -14.035 0.558 6.341 29 HD12 LEU 4 HD12 LEU 4 -13.376 1.244 4.857 30 HD13 LEU 4 HD13 LEU 4 -13.331 -0.500 5.119 31 HD21 LEU 4 HD21 LEU 4 -15.082 2.257 3.820 32 HD22 LEU 4 HD22 LEU 4 -16.121 2.138 5.240 33 HD23 LEU 4 HD23 LEU 4 -16.701 1.573 3.675 34 H VAL 5 H VAL 5 -14.833 -1.137 0.243 35 HA VAL 5 HA VAL 5 -12.759 -3.128 0.283 36 HB VAL 5 HB VAL 5 -14.565 -2.060 -1.915 37 HG11 VAL 5 HG11 VAL 5 -12.826 -4.540 -1.798 38 HG12 VAL 5 HG12 VAL 5 -12.720 -3.220 -2.963 39 HG13 VAL 5 HG13 VAL 5 -14.113 -4.302 -2.980 40 HG21 VAL 5 HG21 VAL 5 -14.769 -4.472 -0.080 41 HG22 VAL 5 HG22 VAL 5 -15.894 -4.094 -1.384 42 HG23 VAL 5 HG23 VAL 5 -15.765 -3.019 0.008 43 H ASN 6 H ASN 6 -13.144 -0.177 -1.738 44 HA ASN 6 HA ASN 6 -10.652 -0.414 -3.134 45 HB2 ASN 6 HB2 ASN 6 -12.868 1.210 -3.193 46 HB3 ASN 6 HB3 ASN 6 -11.649 2.306 -2.543 47 HD21 ASN 6 HD21 ASN 6 -12.961 1.405 -5.437 48 HD22 ASN 6 HD22 ASN 6 -11.624 1.649 -6.453 49 H SER 7 H SER 7 -11.478 1.146 -0.022 50 HA SER 7 HA SER 7 -9.028 2.527 0.440 51 HB2 SER 7 HB2 SER 7 -11.269 2.530 1.725 52 HB3 SER 7 HB3 SER 7 -10.668 1.089 2.542 53 HG SER 7 HG SER 7 -8.842 2.336 3.178 54 H TYR 8 H TYR 8 -9.989 -0.813 1.302 55 HA TYR 8 HA TYR 8 -7.465 -1.562 2.490 56 HB2 TYR 8 HB2 TYR 8 -9.390 -2.842 3.032 57 HB3 TYR 8 HB3 TYR 8 -9.880 -2.977 1.345 58 HD1 TYR 8 HD1 TYR 8 -6.981 -3.872 3.563 59 HD2 TYR 8 HD2 TYR 8 -9.457 -4.979 0.232 60 HE1 TYR 8 HE1 TYR 8 -5.776 -6.031 3.385 61 HE2 TYR 8 HE2 TYR 8 -8.251 -7.139 0.055 62 HH TYR 8 HH TYR 8 -6.562 -8.492 2.326 63 H LEU 9 H LEU 9 -8.861 -1.974 -0.773 64 HA LEU 9 HA LEU 9 -6.725 -3.442 -1.960 65 HB2 LEU 9 HB2 LEU 9 -9.116 -1.935 -2.734 66 HB3 LEU 9 HB3 LEU 9 -7.845 -1.834 -3.948 67 HG LEU 9 HG LEU 9 -9.291 -3.776 -4.378 68 HD11 LEU 9 HD11 LEU 9 -6.691 -4.846 -3.282 69 HD12 LEU 9 HD12 LEU 9 -6.730 -3.817 -4.714 70 HD13 LEU 9 HD13 LEU 9 -7.573 -5.365 -4.717 71 HD21 LEU 9 HD21 LEU 9 -10.140 -4.315 -2.217 72 HD22 LEU 9 HD22 LEU 9 -8.521 -4.486 -1.542 73 HD23 LEU 9 HD23 LEU 9 -9.133 -5.687 -2.677 74 H TRP 10 H TRP 10 -7.309 0.085 -1.793 75 HA TRP 10 HA TRP 10 -5.030 0.923 -3.297 76 HB2 TRP 10 HB2 TRP 10 -6.707 2.525 -2.874 77 HB3 TRP 10 HB3 TRP 10 -6.807 2.105 -1.165 78 HD1 TRP 10 HD1 TRP 10 -4.336 3.760 -3.633 79 HE1 TRP 10 HE1 TRP 10 -2.937 5.492 -2.332 80 HE3 TRP 10 HE3 TRP 10 -6.107 2.952 1.084 81 HZ2 TRP 10 HZ2 TRP 10 -2.615 6.411 0.358 82 HZ3 TRP 10 HZ3 TRP 10 -5.237 4.266 2.996 83 HH2 TRP 10 HH2 TRP 10 -3.495 5.993 2.640 84 H GLN 11 H GLN 11 -5.426 0.255 0.197 85 HA GLN 11 HA GLN 11 -2.890 1.133 1.117 86 HB2 GLN 11 HB2 GLN 11 -4.849 -1.012 1.941 87 HB3 GLN 11 HB3 GLN 11 -3.349 -0.777 2.839 88 HG2 GLN 11 HG2 GLN 11 -4.583 1.782 2.361 89 HG3 GLN 11 HG3 GLN 11 -5.762 0.695 3.092 90 HE21 GLN 11 HE21 GLN 11 -4.518 -0.759 4.949 91 HE22 GLN 11 HE22 GLN 11 -3.627 0.184 6.042 92 H ARG 12 H ARG 12 -3.860 -2.076 -0.150 93 HA ARG 12 HA ARG 12 -1.431 -3.485 0.168 94 HB2 ARG 12 HB2 ARG 12 -3.595 -3.524 -1.953 95 HB3 ARG 12 HB3 ARG 12 -2.316 -4.734 -1.883 96 HG2 ARG 12 HG2 ARG 12 -3.115 -5.674 0.076 97 HG3 ARG 12 HG3 ARG 12 -3.849 -4.167 0.623 98 HD2 ARG 12 HD2 ARG 12 -5.703 -5.529 0.001 99 HD3 ARG 12 HD3 ARG 12 -5.463 -4.467 -1.397 100 HE ARG 12 HE ARG 12 -4.353 -6.303 -2.555 101 HH11 ARG 12 HH11 ARG 12 -3.248 -7.719 -0.139 102 HH12 ARG 12 HH12 ARG 12 -4.244 -9.135 -0.064 103 HH21 ARG 12 HH21 ARG 12 -6.682 -7.849 -2.183 104 HH22 ARG 12 HH22 ARG 12 -6.195 -9.208 -1.227 105 H TRP 13 H TRP 13 -2.452 -1.335 -2.491 106 HA TRP 13 HA TRP 13 -0.315 -1.681 -4.300 107 HB2 TRP 13 HB2 TRP 13 -2.542 -0.062 -3.985 108 HB3 TRP 13 HB3 TRP 13 -1.218 1.095 -3.890 109 HD1 TRP 13 HD1 TRP 13 -3.265 0.903 -6.324 110 HE1 TRP 13 HE1 TRP 13 -2.346 0.525 -8.707 111 HE3 TRP 13 HE3 TRP 13 1.302 -1.077 -5.203 112 HZ2 TRP 13 HZ2 TRP 13 0.016 -0.483 -9.963 113 HZ3 TRP 13 HZ3 TRP 13 2.866 -1.736 -7.005 114 HH2 TRP 13 HH2 TRP 13 2.231 -1.440 -9.382 115 H GLU 14 H GLU 14 -0.585 0.925 -1.860 116 HA GLU 14 HA GLU 14 2.165 1.755 -2.096 117 HB2 GLU 14 HB2 GLU 14 0.040 2.155 0.033 118 HB3 GLU 14 HB3 GLU 14 1.548 3.065 -0.055 119 HG2 GLU 14 HG2 GLU 14 0.675 3.372 -2.606 120 HG3 GLU 14 HG3 GLU 14 -0.873 3.252 -1.767 121 H ASN 15 H ASN 15 0.501 -0.585 -0.006 122 HA ASN 15 HA ASN 15 2.410 -0.968 2.038 123 HB2 ASN 15 HB2 ASN 15 0.061 -2.097 1.342 124 HB3 ASN 15 HB3 ASN 15 1.149 -3.363 0.774 125 HD21 ASN 15 HD21 ASN 15 3.177 -3.335 2.714 126 HD22 ASN 15 HD22 ASN 15 2.518 -3.700 4.234 127 H TRP 16 H TRP 16 2.316 -2.403 -1.243 128 HA TRP 16 HA TRP 16 4.737 -3.963 -0.944 129 HB2 TRP 16 HB2 TRP 16 3.293 -4.631 -2.681 130 HB3 TRP 16 HB3 TRP 16 2.992 -2.971 -3.195 131 HD1 TRP 16 HD1 TRP 16 5.683 -5.705 -3.347 132 HE1 TRP 16 HE1 TRP 16 7.281 -5.178 -5.300 133 HE3 TRP 16 HE3 TRP 16 3.877 -1.141 -4.760 134 HZ2 TRP 16 HZ2 TRP 16 7.733 -3.097 -7.208 135 HZ3 TRP 16 HZ3 TRP 16 4.910 0.091 -6.646 136 HH2 TRP 16 HH2 TRP 16 6.834 -0.881 -7.872 137 H PHE 17 H PHE 17 4.035 -0.781 -2.431 138 HA PHE 17 HA PHE 17 6.654 -0.114 -3.292 139 HB2 PHE 17 HB2 PHE 17 4.511 1.065 -3.822 140 HB3 PHE 17 HB3 PHE 17 4.472 1.681 -2.170 141 HD1 PHE 17 HD1 PHE 17 6.682 1.551 -5.194 142 HD2 PHE 17 HD2 PHE 17 5.545 3.700 -1.653 143 HE1 PHE 17 HE1 PHE 17 8.161 3.427 -5.858 144 HE2 PHE 17 HE2 PHE 17 7.024 5.577 -2.318 145 HZ PHE 17 HZ PHE 17 8.333 5.440 -4.419 146 H TRP 18 H TRP 18 5.031 0.738 -0.202 147 HA TRP 18 HA TRP 18 7.320 1.960 1.018 148 HB2 TRP 18 HB2 TRP 18 4.866 0.573 2.145 149 HB3 TRP 18 HB3 TRP 18 5.976 1.542 3.113 150 HD1 TRP 18 HD1 TRP 18 2.788 2.093 2.134 151 HE1 TRP 18 HE1 TRP 18 2.283 4.456 1.241 152 HE3 TRP 18 HE3 TRP 18 7.527 3.664 1.031 153 HZ2 TRP 18 HZ2 TRP 18 3.694 6.710 0.200 154 HZ3 TRP 18 HZ3 TRP 18 7.914 5.920 0.093 155 HH2 TRP 18 HH2 TRP 18 6.006 7.446 -0.324 156 H ASN 19 H ASN 19 6.233 -1.414 0.848 157 HA ASN 19 HA ASN 19 7.985 -2.505 2.839 158 HB2 ASN 19 HB2 ASN 19 6.319 -3.435 0.569 159 HB3 ASN 19 HB3 ASN 19 7.625 -4.522 1.034 160 HD21 ASN 19 HD21 ASN 19 5.672 -5.931 1.733 161 HD22 ASN 19 HD22 ASN 19 5.057 -5.684 3.296 162 H VAL 20 H VAL 20 8.441 -1.982 -0.681 163 HA VAL 20 HA VAL 20 11.224 -3.005 -0.487 164 HB VAL 20 HB VAL 20 11.156 -2.737 -2.964 165 HG11 VAL 20 HG11 VAL 20 10.416 -4.849 -2.098 166 HG12 VAL 20 HG12 VAL 20 9.262 -4.379 -3.345 167 HG13 VAL 20 HG13 VAL 20 8.848 -4.183 -1.641 168 HG21 VAL 20 HG21 VAL 20 9.134 -0.883 -2.416 169 HG22 VAL 20 HG22 VAL 20 8.282 -2.251 -3.130 170 HG23 VAL 20 HG23 VAL 20 9.599 -1.476 -4.009 171 H THR 21 H THR 21 9.553 0.060 -0.503 172 HA THR 21 HA THR 21 11.966 1.559 -1.348 173 HB THR 21 HB THR 21 9.176 2.401 -0.494 174 HG1 THR 21 HG1 THR 21 8.912 1.534 -2.424 175 HG21 THR 21 HG21 THR 21 9.959 4.532 -1.785 176 HG22 THR 21 HG22 THR 21 11.583 3.941 -1.434 177 HG23 THR 21 HG23 THR 21 10.475 4.313 -0.112 178 H LEU 22 H LEU 22 9.796 1.483 1.494 179 HA LEU 22 HA LEU 22 11.752 2.933 3.143 180 HB2 LEU 22 HB2 LEU 22 9.072 1.625 3.703 181 HB3 LEU 22 HB3 LEU 22 9.965 2.584 4.881 182 HG LEU 22 HG LEU 22 9.168 3.647 2.160 183 HD11 LEU 22 HD11 LEU 22 7.346 4.827 3.374 184 HD12 LEU 22 HD12 LEU 22 7.753 3.920 4.830 185 HD13 LEU 22 HD13 LEU 22 7.138 3.077 3.409 186 HD21 LEU 22 HD21 LEU 22 10.279 4.834 4.709 187 HD22 LEU 22 HD22 LEU 22 9.463 5.832 3.505 188 HD23 LEU 22 HD23 LEU 22 10.931 4.952 3.075 189 H ARG 23 H ARG 23 11.071 -0.363 2.377 190 HA ARG 23 HA ARG 23 11.859 -2.409 3.243 191 HB2 ARG 23 HB2 ARG 23 13.996 -0.352 3.784 192 HB3 ARG 23 HB3 ARG 23 14.239 -2.028 4.275 193 HG2 ARG 23 HG2 ARG 23 14.531 -2.739 2.140 194 HG3 ARG 23 HG3 ARG 23 13.211 -1.738 1.532 195 HD2 ARG 23 HD2 ARG 23 14.618 -0.040 0.939 196 HD3 ARG 23 HD3 ARG 23 15.584 -0.207 2.420 197 HE ARG 23 HE ARG 23 15.907 -1.899 -0.025 198 HH11 ARG 23 HH11 ARG 23 18.081 -0.042 0.849 199 HH12 ARG 23 HH12 ARG 23 19.135 -1.094 1.733 200 HH21 ARG 23 HH21 ARG 23 16.758 -3.608 2.081 201 HH22 ARG 23 HH22 ARG 23 18.383 -3.122 2.433 202 HA PRO 24 HA PRO 24 10.565 -1.161 7.592 203 HB2 PRO 24 HB2 PRO 24 8.073 -2.289 7.571 204 HB3 PRO 24 HB3 PRO 24 8.380 -0.615 7.065 205 HG2 PRO 24 HG2 PRO 24 7.961 -3.047 5.406 206 HG3 PRO 24 HG3 PRO 24 7.413 -1.386 5.135 207 HD2 PRO 24 HD2 PRO 24 9.558 -2.505 3.864 208 HD3 PRO 24 HD3 PRO 24 9.375 -0.762 4.152 209 H GLU 25 H GLU 25 10.416 -2.685 9.367 210 HA GLU 25 HA GLU 25 11.399 -5.395 8.695 211 HB2 GLU 25 HB2 GLU 25 12.055 -3.581 10.591 212 HB3 GLU 25 HB3 GLU 25 10.867 -4.521 11.494 213 HG2 GLU 25 HG2 GLU 25 12.515 -6.007 11.903 214 HG3 GLU 25 HG3 GLU 25 12.422 -6.449 10.199 215 H ARG 26 H ARG 26 10.309 -7.323 9.362 216 HA ARG 26 HA ARG 26 7.639 -7.130 10.620 217 HB2 ARG 26 HB2 ARG 26 6.553 -8.217 8.671 218 HB3 ARG 26 HB3 ARG 26 7.252 -6.661 8.230 219 HG2 ARG 26 HG2 ARG 26 9.020 -7.639 7.046 220 HG3 ARG 26 HG3 ARG 26 8.880 -9.172 7.908 221 HD2 ARG 26 HD2 ARG 26 6.524 -8.296 6.280 222 HD3 ARG 26 HD3 ARG 26 7.945 -8.912 5.415 223 HE ARG 26 HE ARG 26 7.740 -11.007 6.665 224 HH11 ARG 26 HH11 ARG 26 4.995 -10.705 5.515 225 HH12 ARG 26 HH12 ARG 26 3.986 -10.953 6.900 226 HH21 ARG 26 HH21 ARG 26 6.556 -10.447 9.189 227 HH22 ARG 26 HH22 ARG 26 4.873 -10.806 8.989 Start of MODEL 8 1 HA ARG 1 HA ARG 1 -19.519 1.432 -5.828 2 HB2 ARG 1 HB2 ARG 1 -20.778 -0.625 -6.536 3 HB3 ARG 1 HB3 ARG 1 -19.956 0.176 -7.873 4 HG2 ARG 1 HG2 ARG 1 -18.447 -1.533 -8.153 5 HG3 ARG 1 HG3 ARG 1 -18.405 -1.919 -6.433 6 HD2 ARG 1 HD2 ARG 1 -21.027 -2.424 -7.701 7 HD3 ARG 1 HD3 ARG 1 -19.708 -3.444 -8.311 8 HE ARG 1 HE ARG 1 -20.673 -3.364 -5.511 9 HH11 ARG 1 HH11 ARG 1 -20.145 -5.804 -7.334 10 HH12 ARG 1 HH12 ARG 1 -18.728 -6.456 -6.584 11 HH21 ARG 1 HH21 ARG 1 -18.057 -3.587 -4.741 12 HH22 ARG 1 HH22 ARG 1 -17.543 -5.199 -5.109 13 H SER 2 H SER 2 -17.351 0.889 -4.053 14 HA SER 2 HA SER 2 -18.732 -0.646 -1.978 15 HB2 SER 2 HB2 SER 2 -16.582 -1.793 -3.680 16 HB3 SER 2 HB3 SER 2 -16.431 -2.093 -1.953 17 HG SER 2 HG SER 2 -18.930 -2.450 -3.185 18 H ALA 3 H ALA 3 -17.783 -0.272 0.091 19 HA ALA 3 HA ALA 3 -15.848 1.982 0.175 20 HB1 ALA 3 HB1 ALA 3 -17.944 2.136 1.422 21 HB2 ALA 3 HB2 ALA 3 -16.601 2.043 2.561 22 HB3 ALA 3 HB3 ALA 3 -17.594 0.619 2.250 23 H LEU 4 H LEU 4 -16.051 -1.453 0.989 24 HA LEU 4 HA LEU 4 -13.340 -1.296 2.262 25 HB2 LEU 4 HB2 LEU 4 -15.780 -3.011 2.561 26 HB3 LEU 4 HB3 LEU 4 -14.211 -3.725 2.935 27 HG LEU 4 HG LEU 4 -14.158 -1.186 4.139 28 HD11 LEU 4 HD11 LEU 4 -16.592 -1.028 3.876 29 HD12 LEU 4 HD12 LEU 4 -16.183 -1.252 5.576 30 HD13 LEU 4 HD13 LEU 4 -16.794 -2.610 4.631 31 HD21 LEU 4 HD21 LEU 4 -14.674 -3.962 5.252 32 HD22 LEU 4 HD22 LEU 4 -14.269 -2.564 6.246 33 HD23 LEU 4 HD23 LEU 4 -13.109 -3.170 5.064 34 H VAL 5 H VAL 5 -14.142 -1.523 -0.745 35 HA VAL 5 HA VAL 5 -12.701 -4.085 -1.345 36 HB VAL 5 HB VAL 5 -14.727 -2.404 -2.849 37 HG11 VAL 5 HG11 VAL 5 -13.086 -4.759 -3.835 38 HG12 VAL 5 HG12 VAL 5 -13.080 -3.122 -4.490 39 HG13 VAL 5 HG13 VAL 5 -14.515 -4.134 -4.658 40 HG21 VAL 5 HG21 VAL 5 -15.641 -3.953 -1.190 41 HG22 VAL 5 HG22 VAL 5 -14.680 -5.273 -1.857 42 HG23 VAL 5 HG23 VAL 5 -15.984 -4.563 -2.808 43 H ASN 6 H ASN 6 -12.857 -0.605 -2.088 44 HA ASN 6 HA ASN 6 -10.373 -0.813 -3.719 45 HB2 ASN 6 HB2 ASN 6 -12.675 0.545 -4.107 46 HB3 ASN 6 HB3 ASN 6 -11.773 1.770 -3.213 47 HD21 ASN 6 HD21 ASN 6 -11.784 -0.161 -6.200 48 HD22 ASN 6 HD22 ASN 6 -10.600 0.757 -6.996 49 H SER 7 H SER 7 -11.643 0.668 -0.742 50 HA SER 7 HA SER 7 -9.449 2.316 -0.033 51 HB2 SER 7 HB2 SER 7 -11.416 0.697 1.615 52 HB3 SER 7 HB3 SER 7 -10.375 1.948 2.287 53 HG SER 7 HG SER 7 -11.758 3.351 1.573 54 H TYR 8 H TYR 8 -10.069 -1.085 0.998 55 HA TYR 8 HA TYR 8 -7.537 -1.383 2.338 56 HB2 TYR 8 HB2 TYR 8 -8.390 -3.453 2.851 57 HB3 TYR 8 HB3 TYR 8 -9.881 -2.734 2.260 58 HD1 TYR 8 HD1 TYR 8 -10.720 -3.264 -0.015 59 HD2 TYR 8 HD2 TYR 8 -7.224 -5.165 1.602 60 HE1 TYR 8 HE1 TYR 8 -10.876 -5.031 -1.748 61 HE2 TYR 8 HE2 TYR 8 -7.379 -6.928 -0.133 62 HH TYR 8 HH TYR 8 -9.962 -7.649 -1.792 63 H LEU 9 H LEU 9 -8.518 -1.735 -1.022 64 HA LEU 9 HA LEU 9 -6.207 -3.232 -1.934 65 HB2 LEU 9 HB2 LEU 9 -8.656 -2.323 -2.927 66 HB3 LEU 9 HB3 LEU 9 -7.469 -1.406 -3.849 67 HG LEU 9 HG LEU 9 -6.387 -3.415 -4.614 68 HD11 LEU 9 HD11 LEU 9 -7.717 -4.558 -2.278 69 HD12 LEU 9 HD12 LEU 9 -6.309 -5.147 -3.161 70 HD13 LEU 9 HD13 LEU 9 -7.933 -5.557 -3.715 71 HD21 LEU 9 HD21 LEU 9 -8.314 -4.599 -5.717 72 HD22 LEU 9 HD22 LEU 9 -8.377 -2.844 -5.880 73 HD23 LEU 9 HD23 LEU 9 -9.409 -3.659 -4.702 74 H TRP 10 H TRP 10 -7.027 0.242 -1.762 75 HA TRP 10 HA TRP 10 -4.700 1.278 -3.059 76 HB2 TRP 10 HB2 TRP 10 -6.533 2.735 -2.668 77 HB3 TRP 10 HB3 TRP 10 -6.644 2.277 -0.969 78 HD1 TRP 10 HD1 TRP 10 -4.173 4.082 -3.336 79 HE1 TRP 10 HE1 TRP 10 -2.933 5.889 -1.978 80 HE3 TRP 10 HE3 TRP 10 -6.119 3.188 1.297 81 HZ2 TRP 10 HZ2 TRP 10 -2.788 6.828 0.719 82 HZ3 TRP 10 HZ3 TRP 10 -5.413 4.552 3.242 83 HH2 TRP 10 HH2 TRP 10 -3.750 6.369 2.958 84 H GLN 11 H GLN 11 -5.344 0.642 0.414 85 HA GLN 11 HA GLN 11 -2.806 1.466 1.424 86 HB2 GLN 11 HB2 GLN 11 -5.166 -0.060 2.271 87 HB3 GLN 11 HB3 GLN 11 -3.682 -0.630 3.036 88 HG2 GLN 11 HG2 GLN 11 -3.255 1.433 4.053 89 HG3 GLN 11 HG3 GLN 11 -4.257 2.319 2.903 90 HE21 GLN 11 HE21 GLN 11 -4.421 0.114 5.717 91 HE22 GLN 11 HE22 GLN 11 -6.021 0.503 6.126 92 H ARG 12 H ARG 12 -3.900 -1.639 0.072 93 HA ARG 12 HA ARG 12 -1.586 -3.205 0.710 94 HB2 ARG 12 HB2 ARG 12 -3.845 -3.267 -1.260 95 HB3 ARG 12 HB3 ARG 12 -2.502 -4.384 -1.500 96 HG2 ARG 12 HG2 ARG 12 -2.794 -5.289 0.746 97 HG3 ARG 12 HG3 ARG 12 -4.053 -4.104 1.091 98 HD2 ARG 12 HD2 ARG 12 -5.168 -6.174 0.500 99 HD3 ARG 12 HD3 ARG 12 -5.349 -5.081 -0.886 100 HE ARG 12 HE ARG 12 -3.672 -6.352 -2.071 101 HH11 ARG 12 HH11 ARG 12 -5.345 -8.487 -0.537 102 HH12 ARG 12 HH12 ARG 12 -4.076 -9.542 -0.009 103 HH21 ARG 12 HH21 ARG 12 -1.543 -7.253 -0.665 104 HH22 ARG 12 HH22 ARG 12 -1.916 -8.840 -0.081 105 H TRP 13 H TRP 13 -2.357 -1.113 -2.081 106 HA TRP 13 HA TRP 13 -0.058 -1.760 -3.668 107 HB2 TRP 13 HB2 TRP 13 -1.302 -0.463 -5.044 108 HB3 TRP 13 HB3 TRP 13 -2.331 -0.008 -3.694 109 HD1 TRP 13 HD1 TRP 13 -2.393 2.472 -3.210 110 HE1 TRP 13 HE1 TRP 13 -0.858 4.494 -3.660 111 HE3 TRP 13 HE3 TRP 13 1.571 0.105 -5.385 112 HZ2 TRP 13 HZ2 TRP 13 1.713 5.034 -4.793 113 HZ3 TRP 13 HZ3 TRP 13 3.549 1.393 -6.141 114 HH2 TRP 13 HH2 TRP 13 3.625 3.853 -5.847 115 H GLU 14 H GLU 14 -0.615 0.863 -1.281 116 HA GLU 14 HA GLU 14 2.069 1.942 -1.489 117 HB2 GLU 14 HB2 GLU 14 -0.288 2.174 0.365 118 HB3 GLU 14 HB3 GLU 14 1.253 2.896 0.832 119 HG2 GLU 14 HG2 GLU 14 1.087 3.745 -1.744 120 HG3 GLU 14 HG3 GLU 14 -0.624 3.681 -1.325 121 H ASN 15 H ASN 15 0.509 -0.474 0.612 122 HA ASN 15 HA ASN 15 2.583 -0.846 2.528 123 HB2 ASN 15 HB2 ASN 15 0.160 -1.823 2.286 124 HB3 ASN 15 HB3 ASN 15 0.945 -3.100 1.357 125 HD21 ASN 15 HD21 ASN 15 3.121 -3.894 2.619 126 HD22 ASN 15 HD22 ASN 15 2.876 -4.212 4.267 127 H TRP 16 H TRP 16 2.029 -2.498 -0.611 128 HA TRP 16 HA TRP 16 4.492 -4.027 -0.533 129 HB2 TRP 16 HB2 TRP 16 2.824 -4.888 -1.946 130 HB3 TRP 16 HB3 TRP 16 2.381 -3.293 -2.554 131 HD1 TRP 16 HD1 TRP 16 5.155 -5.937 -2.870 132 HE1 TRP 16 HE1 TRP 16 6.373 -5.583 -5.112 133 HE3 TRP 16 HE3 TRP 16 2.871 -1.645 -4.442 134 HZ2 TRP 16 HZ2 TRP 16 6.380 -3.726 -7.284 135 HZ3 TRP 16 HZ3 TRP 16 3.506 -0.607 -6.601 136 HH2 TRP 16 HH2 TRP 16 5.255 -1.640 -8.023 137 H PHE 17 H PHE 17 3.516 -0.939 -2.038 138 HA PHE 17 HA PHE 17 5.855 -0.341 -3.509 139 HB2 PHE 17 HB2 PHE 17 3.844 0.972 -3.703 140 HB3 PHE 17 HB3 PHE 17 3.846 1.343 -1.981 141 HD1 PHE 17 HD1 PHE 17 5.905 1.783 -5.081 142 HD2 PHE 17 HD2 PHE 17 4.856 3.310 -1.206 143 HE1 PHE 17 HE1 PHE 17 7.253 3.817 -5.517 144 HE2 PHE 17 HE2 PHE 17 6.203 5.344 -1.643 145 HZ PHE 17 HZ PHE 17 7.401 5.600 -3.798 146 H TRP 18 H TRP 18 5.066 0.810 -0.194 147 HA TRP 18 HA TRP 18 7.668 1.837 0.397 148 HB2 TRP 18 HB2 TRP 18 5.336 0.838 2.047 149 HB3 TRP 18 HB3 TRP 18 6.778 1.525 2.796 150 HD1 TRP 18 HD1 TRP 18 3.524 2.608 1.945 151 HE1 TRP 18 HE1 TRP 18 3.410 5.116 1.358 152 HE3 TRP 18 HE3 TRP 18 8.482 3.556 1.161 153 HZ2 TRP 18 HZ2 TRP 18 5.188 7.242 0.654 154 HZ3 TRP 18 HZ3 TRP 18 9.242 5.829 0.534 155 HH2 TRP 18 HH2 TRP 18 7.603 7.671 0.279 156 H ASN 19 H ASN 19 6.285 -1.423 0.724 157 HA ASN 19 HA ASN 19 8.203 -2.663 2.387 158 HB2 ASN 19 HB2 ASN 19 6.030 -3.552 1.361 159 HB3 ASN 19 HB3 ASN 19 6.965 -3.875 -0.098 160 HD21 ASN 19 HD21 ASN 19 8.817 -5.432 0.124 161 HD22 ASN 19 HD22 ASN 19 8.776 -6.598 1.357 162 H VAL 20 H VAL 20 8.373 -1.941 -1.103 163 HA VAL 20 HA VAL 20 11.145 -3.057 -1.194 164 HB VAL 20 HB VAL 20 10.789 -2.888 -3.667 165 HG11 VAL 20 HG11 VAL 20 8.512 -4.285 -2.233 166 HG12 VAL 20 HG12 VAL 20 10.150 -4.926 -2.366 167 HG13 VAL 20 HG13 VAL 20 9.172 -4.696 -3.816 168 HG21 VAL 20 HG21 VAL 20 7.943 -2.109 -2.969 169 HG22 VAL 20 HG22 VAL 20 8.659 -2.232 -4.574 170 HG23 VAL 20 HG23 VAL 20 9.160 -0.941 -3.484 171 H THR 21 H THR 21 9.337 -0.035 -1.463 172 HA THR 21 HA THR 21 11.475 1.532 -2.640 173 HB THR 21 HB THR 21 9.015 2.281 -1.029 174 HG1 THR 21 HG1 THR 21 9.520 2.049 -3.811 175 HG21 THR 21 HG21 THR 21 10.031 4.317 -1.020 176 HG22 THR 21 HG22 THR 21 9.495 4.380 -2.698 177 HG23 THR 21 HG23 THR 21 11.143 3.880 -2.316 178 H LEU 22 H LEU 22 10.394 0.949 0.701 179 HA LEU 22 HA LEU 22 12.086 2.852 1.998 180 HB2 LEU 22 HB2 LEU 22 10.787 0.249 2.802 181 HB3 LEU 22 HB3 LEU 22 11.746 1.180 3.949 182 HG LEU 22 HG LEU 22 9.389 2.291 2.394 183 HD11 LEU 22 HD11 LEU 22 8.177 2.173 4.533 184 HD12 LEU 22 HD12 LEU 22 9.579 1.424 5.297 185 HD13 LEU 22 HD13 LEU 22 8.699 0.564 4.032 186 HD21 LEU 22 HD21 LEU 22 11.122 3.376 4.636 187 HD22 LEU 22 HD22 LEU 22 9.595 4.110 4.145 188 HD23 LEU 22 HD23 LEU 22 10.943 4.038 3.011 189 H ARG 23 H ARG 23 12.709 -0.478 0.950 190 HA ARG 23 HA ARG 23 15.569 -0.124 1.794 191 HB2 ARG 23 HB2 ARG 23 13.583 -2.327 2.044 192 HB3 ARG 23 HB3 ARG 23 15.232 -2.813 1.650 193 HG2 ARG 23 HG2 ARG 23 15.578 -0.904 3.647 194 HG3 ARG 23 HG3 ARG 23 14.152 -1.799 4.172 195 HD2 ARG 23 HD2 ARG 23 15.553 -3.929 3.597 196 HD3 ARG 23 HD3 ARG 23 16.945 -2.831 3.682 197 HE ARG 23 HE ARG 23 14.999 -3.210 5.934 198 HH11 ARG 23 HH11 ARG 23 18.025 -4.173 5.362 199 HH12 ARG 23 HH12 ARG 23 18.818 -3.231 6.580 200 HH21 ARG 23 HH21 ARG 23 16.042 -1.238 7.218 201 HH22 ARG 23 HH22 ARG 23 17.691 -1.564 7.635 202 HA PRO 24 HA PRO 24 15.451 -0.663 -2.797 203 HB2 PRO 24 HB2 PRO 24 17.144 1.406 -3.378 204 HB3 PRO 24 HB3 PRO 24 15.395 1.620 -3.176 205 HG2 PRO 24 HG2 PRO 24 17.604 2.252 -1.305 206 HG3 PRO 24 HG3 PRO 24 16.064 3.083 -1.560 207 HD2 PRO 24 HD2 PRO 24 16.616 1.374 0.543 208 HD3 PRO 24 HD3 PRO 24 14.990 1.805 -0.024 209 H GLU 25 H GLU 25 16.730 -2.587 -1.733 210 HA GLU 25 HA GLU 25 19.675 -2.240 -2.200 211 HB2 GLU 25 HB2 GLU 25 19.985 -3.872 -0.463 212 HB3 GLU 25 HB3 GLU 25 18.762 -2.752 0.135 213 HG2 GLU 25 HG2 GLU 25 17.080 -4.456 -0.972 214 HG3 GLU 25 HG3 GLU 25 18.432 -5.579 -0.828 215 H ARG 26 H ARG 26 20.369 -4.936 -2.332 216 HA ARG 26 HA ARG 26 18.929 -5.866 -4.797 217 HB2 ARG 26 HB2 ARG 26 21.509 -5.017 -4.545 218 HB3 ARG 26 HB3 ARG 26 21.709 -6.744 -4.247 219 HG2 ARG 26 HG2 ARG 26 21.912 -6.593 -6.583 220 HG3 ARG 26 HG3 ARG 26 20.221 -7.046 -6.365 221 HD2 ARG 26 HD2 ARG 26 19.666 -4.551 -6.421 222 HD3 ARG 26 HD3 ARG 26 21.332 -4.291 -6.974 223 HE ARG 26 HE ARG 26 20.833 -5.714 -8.930 224 HH11 ARG 26 HH11 ARG 26 18.563 -7.321 -7.992 225 HH12 ARG 26 HH12 ARG 26 17.195 -6.541 -8.711 226 HH21 ARG 26 HH21 ARG 26 18.911 -3.598 -9.406 227 HH22 ARG 26 HH22 ARG 26 17.393 -4.423 -9.511 Start of MODEL 9 1 HA ARG 1 HA ARG 1 -20.544 2.461 -5.034 2 HB2 ARG 1 HB2 ARG 1 -22.435 1.045 -6.067 3 HB3 ARG 1 HB3 ARG 1 -21.972 -0.207 -4.915 4 HG2 ARG 1 HG2 ARG 1 -22.677 1.022 -3.079 5 HG3 ARG 1 HG3 ARG 1 -22.424 2.570 -3.887 6 HD2 ARG 1 HD2 ARG 1 -24.751 2.457 -3.957 7 HD3 ARG 1 HD3 ARG 1 -24.369 1.633 -5.481 8 HE ARG 1 HE ARG 1 -25.102 0.269 -2.930 9 HH11 ARG 1 HH11 ARG 1 -26.732 0.026 -5.454 10 HH12 ARG 1 HH12 ARG 1 -26.214 -1.509 -6.068 11 HH21 ARG 1 HH21 ARG 1 -23.370 -1.640 -4.070 12 HH22 ARG 1 HH22 ARG 1 -24.303 -2.456 -5.281 13 H SER 2 H SER 2 -18.208 2.024 -4.265 14 HA SER 2 HA SER 2 -18.312 0.200 -1.904 15 HB2 SER 2 HB2 SER 2 -16.574 0.066 -4.314 16 HB3 SER 2 HB3 SER 2 -15.789 -0.228 -2.767 17 HG SER 2 HG SER 2 -16.625 -2.156 -3.601 18 H ALA 3 H ALA 3 -17.510 1.231 -0.130 19 HA ALA 3 HA ALA 3 -15.964 3.765 -0.533 20 HB1 ALA 3 HB1 ALA 3 -18.108 3.919 0.647 21 HB2 ALA 3 HB2 ALA 3 -16.791 4.243 1.773 22 HB3 ALA 3 HB3 ALA 3 -17.594 2.673 1.785 23 H LEU 4 H LEU 4 -15.935 0.654 1.198 24 HA LEU 4 HA LEU 4 -13.231 1.300 2.293 25 HB2 LEU 4 HB2 LEU 4 -13.722 -0.468 3.898 26 HB3 LEU 4 HB3 LEU 4 -15.100 0.628 3.817 27 HG LEU 4 HG LEU 4 -15.421 -1.419 1.820 28 HD11 LEU 4 HD11 LEU 4 -13.938 -2.774 3.250 29 HD12 LEU 4 HD12 LEU 4 -15.593 -3.383 3.307 30 HD13 LEU 4 HD13 LEU 4 -14.959 -2.424 4.645 31 HD21 LEU 4 HD21 LEU 4 -17.312 -0.249 2.686 32 HD22 LEU 4 HD22 LEU 4 -16.860 -0.603 4.353 33 HD23 LEU 4 HD23 LEU 4 -17.457 -1.892 3.309 34 H VAL 5 H VAL 5 -14.752 -0.566 -0.164 35 HA VAL 5 HA VAL 5 -12.956 -2.824 -0.255 36 HB VAL 5 HB VAL 5 -14.596 -1.472 -2.429 37 HG11 VAL 5 HG11 VAL 5 -13.421 -4.259 -2.202 38 HG12 VAL 5 HG12 VAL 5 -12.989 -3.026 -3.387 39 HG13 VAL 5 HG13 VAL 5 -14.586 -3.771 -3.432 40 HG21 VAL 5 HG21 VAL 5 -16.158 -2.047 -0.767 41 HG22 VAL 5 HG22 VAL 5 -15.244 -3.469 -0.266 42 HG23 VAL 5 HG23 VAL 5 -16.142 -3.487 -1.784 43 H ASN 6 H ASN 6 -13.034 0.234 -2.148 44 HA ASN 6 HA ASN 6 -10.586 -0.248 -3.586 45 HB2 ASN 6 HB2 ASN 6 -12.555 1.445 -3.924 46 HB3 ASN 6 HB3 ASN 6 -11.643 2.475 -2.820 47 HD21 ASN 6 HD21 ASN 6 -11.701 1.131 -6.075 48 HD22 ASN 6 HD22 ASN 6 -10.335 1.965 -6.643 49 H SER 7 H SER 7 -11.277 1.367 -0.473 50 HA SER 7 HA SER 7 -8.666 2.440 0.013 51 HB2 SER 7 HB2 SER 7 -10.854 1.428 1.859 52 HB3 SER 7 HB3 SER 7 -9.474 2.381 2.396 53 HG SER 7 HG SER 7 -11.737 3.277 1.452 54 H TYR 8 H TYR 8 -10.125 -0.711 0.883 55 HA TYR 8 HA TYR 8 -7.895 -1.807 2.300 56 HB2 TYR 8 HB2 TYR 8 -9.997 -2.885 2.474 57 HB3 TYR 8 HB3 TYR 8 -10.247 -2.874 0.732 58 HD1 TYR 8 HD1 TYR 8 -8.059 -4.334 3.393 59 HD2 TYR 8 HD2 TYR 8 -9.666 -4.748 -0.568 60 HE1 TYR 8 HE2 TYR 8 -7.104 -6.618 3.244 61 HE2 TYR 8 HE1 TYR 8 -8.713 -7.031 -0.717 62 HH TYR 8 HH TYR 8 -7.970 -8.858 1.522 63 H LEU 9 H LEU 9 -8.767 -1.845 -1.155 64 HA LEU 9 HA LEU 9 -6.525 -3.469 -2.017 65 HB2 LEU 9 HB2 LEU 9 -8.899 -2.313 -3.054 66 HB3 LEU 9 HB3 LEU 9 -7.583 -1.667 -4.029 67 HG LEU 9 HG LEU 9 -8.510 -3.818 -4.918 68 HD11 LEU 9 HD11 LEU 9 -6.276 -4.956 -5.133 69 HD12 LEU 9 HD12 LEU 9 -5.642 -3.820 -3.942 70 HD13 LEU 9 HD13 LEU 9 -6.235 -3.230 -5.494 71 HD21 LEU 9 HD21 LEU 9 -8.864 -4.688 -2.487 72 HD22 LEU 9 HD22 LEU 9 -7.173 -5.181 -2.584 73 HD23 LEU 9 HD23 LEU 9 -8.349 -5.839 -3.721 74 H TRP 10 H TRP 10 -7.133 0.039 -1.817 75 HA TRP 10 HA TRP 10 -4.725 0.911 -3.114 76 HB2 TRP 10 HB2 TRP 10 -6.442 2.502 -2.868 77 HB3 TRP 10 HB3 TRP 10 -6.739 2.062 -1.188 78 HD1 TRP 10 HD1 TRP 10 -4.062 3.818 -3.345 79 HE1 TRP 10 HE1 TRP 10 -2.817 5.521 -1.859 80 HE3 TRP 10 HE3 TRP 10 -6.244 2.812 1.158 81 HZ2 TRP 10 HZ2 TRP 10 -2.761 6.344 0.880 82 HZ3 TRP 10 HZ3 TRP 10 -5.578 4.069 3.187 83 HH2 TRP 10 HH2 TRP 10 -3.841 5.831 3.054 84 H GLN 11 H GLN 11 -5.492 0.445 0.370 85 HA GLN 11 HA GLN 11 -3.014 1.251 1.471 86 HB2 GLN 11 HB2 GLN 11 -5.386 -0.216 2.236 87 HB3 GLN 11 HB3 GLN 11 -3.964 -0.987 2.935 88 HG2 GLN 11 HG2 GLN 11 -4.214 1.999 3.081 89 HG3 GLN 11 HG3 GLN 11 -5.144 1.007 4.203 90 HE21 GLN 11 HE21 GLN 11 -2.010 2.325 3.583 91 HE22 GLN 11 HE22 GLN 11 -1.181 1.498 4.813 92 H ARG 12 H ARG 12 -3.957 -1.926 0.141 93 HA ARG 12 HA ARG 12 -1.521 -3.309 0.819 94 HB2 ARG 12 HB2 ARG 12 -3.888 -3.672 -0.968 95 HB3 ARG 12 HB3 ARG 12 -2.471 -4.667 -1.305 96 HG2 ARG 12 HG2 ARG 12 -2.521 -5.678 0.830 97 HG3 ARG 12 HG3 ARG 12 -3.568 -4.423 1.495 98 HD2 ARG 12 HD2 ARG 12 -5.454 -5.482 0.786 99 HD3 ARG 12 HD3 ARG 12 -4.757 -5.822 -0.811 100 HE ARG 12 HE ARG 12 -4.103 -7.438 1.632 101 HH11 ARG 12 HH11 ARG 12 -2.270 -7.812 -0.671 102 HH12 ARG 12 HH12 ARG 12 -3.001 -9.126 -1.532 103 HH21 ARG 12 HH21 ARG 12 -6.078 -8.792 0.060 104 HH22 ARG 12 HH22 ARG 12 -5.169 -9.685 -1.115 105 H TRP 13 H TRP 13 -2.556 -1.541 -2.124 106 HA TRP 13 HA TRP 13 -0.284 -2.138 -3.745 107 HB2 TRP 13 HB2 TRP 13 -1.602 -0.955 -5.154 108 HB3 TRP 13 HB3 TRP 13 -2.644 -0.538 -3.802 109 HD1 TRP 13 HD1 TRP 13 -2.868 1.941 -3.337 110 HE1 TRP 13 HE1 TRP 13 -1.523 4.065 -3.905 111 HE3 TRP 13 HE3 TRP 13 1.169 -0.164 -5.648 112 HZ2 TRP 13 HZ2 TRP 13 0.939 4.776 -5.174 113 HZ3 TRP 13 HZ3 TRP 13 2.995 1.259 -6.531 114 HH2 TRP 13 HH2 TRP 13 2.887 3.725 -6.296 115 H GLU 14 H GLU 14 -0.858 0.600 -1.502 116 HA GLU 14 HA GLU 14 1.764 1.778 -1.888 117 HB2 GLU 14 HB2 GLU 14 -0.614 2.087 -0.124 118 HB3 GLU 14 HB3 GLU 14 0.908 2.721 0.505 119 HG2 GLU 14 HG2 GLU 14 1.055 3.662 -2.022 120 HG3 GLU 14 HG3 GLU 14 -0.698 3.626 -1.827 121 H ASN 15 H ASN 15 0.387 -0.515 0.469 122 HA ASN 15 HA ASN 15 2.496 -0.653 2.347 123 HB2 ASN 15 HB2 ASN 15 0.571 -1.855 2.894 124 HB3 ASN 15 HB3 ASN 15 0.396 -2.508 1.269 125 HD21 ASN 15 HD21 ASN 15 3.185 -2.627 3.583 126 HD22 ASN 15 HD22 ASN 15 3.308 -4.319 3.556 127 H TRP 16 H TRP 16 2.102 -2.489 -0.715 128 HA TRP 16 HA TRP 16 4.577 -3.943 -0.532 129 HB2 TRP 16 HB2 TRP 16 3.007 -4.766 -2.079 130 HB3 TRP 16 HB3 TRP 16 2.629 -3.157 -2.696 131 HD1 TRP 16 HD1 TRP 16 5.439 -5.792 -2.792 132 HE1 TRP 16 HE1 TRP 16 6.822 -5.430 -4.937 133 HE3 TRP 16 HE3 TRP 16 3.230 -1.538 -4.558 134 HZ2 TRP 16 HZ2 TRP 16 6.972 -3.580 -7.113 135 HZ3 TRP 16 HZ3 TRP 16 4.015 -0.497 -6.665 136 HH2 TRP 16 HH2 TRP 16 5.881 -1.511 -7.944 137 H PHE 17 H PHE 17 3.707 -0.878 -2.173 138 HA PHE 17 HA PHE 17 6.165 -0.239 -3.388 139 HB2 PHE 17 HB2 PHE 17 4.124 1.039 -3.721 140 HB3 PHE 17 HB3 PHE 17 4.067 1.476 -2.014 141 HD1 PHE 17 HD1 PHE 17 6.122 1.839 -5.112 142 HD2 PHE 17 HD2 PHE 17 5.210 3.385 -1.207 143 HE1 PHE 17 HE1 PHE 17 7.530 3.828 -5.568 144 HE2 PHE 17 HE2 PHE 17 6.618 5.374 -1.666 145 HZ PHE 17 HZ PHE 17 7.777 5.596 -3.847 146 H TRP 18 H TRP 18 5.081 0.517 -0.058 147 HA TRP 18 HA TRP 18 7.485 1.821 0.800 148 HB2 TRP 18 HB2 TRP 18 5.222 0.349 2.170 149 HB3 TRP 18 HB3 TRP 18 6.519 1.112 3.090 150 HD1 TRP 18 HD1 TRP 18 3.203 1.888 2.151 151 HE1 TRP 18 HE1 TRP 18 2.804 4.417 1.838 152 HE3 TRP 18 HE3 TRP 18 8.035 3.509 1.801 153 HZ2 TRP 18 HZ2 TRP 18 4.333 6.808 1.485 154 HZ3 TRP 18 HZ3 TRP 18 8.535 5.913 1.476 155 HH2 TRP 18 HH2 TRP 18 6.691 7.564 1.318 156 H ASN 19 H ASN 19 6.488 -1.607 0.842 157 HA ASN 19 HA ASN 19 8.552 -2.712 2.424 158 HB2 ASN 19 HB2 ASN 19 6.433 -3.674 1.136 159 HB3 ASN 19 HB3 ASN 19 7.641 -4.075 -0.086 160 HD21 ASN 19 HD21 ASN 19 7.252 -4.334 3.504 161 HD22 ASN 19 HD22 ASN 19 7.971 -5.867 3.610 162 H VAL 20 H VAL 20 8.640 -1.727 -1.007 163 HA VAL 20 HA VAL 20 11.518 -2.551 -1.124 164 HB VAL 20 HB VAL 20 11.137 -2.328 -3.606 165 HG11 VAL 20 HG11 VAL 20 10.064 -4.422 -3.790 166 HG12 VAL 20 HG12 VAL 20 9.040 -4.119 -2.388 167 HG13 VAL 20 HG13 VAL 20 10.758 -4.447 -2.169 168 HG21 VAL 20 HG21 VAL 20 8.193 -2.171 -2.963 169 HG22 VAL 20 HG22 VAL 20 9.006 -1.864 -4.497 170 HG23 VAL 20 HG23 VAL 20 9.141 -0.700 -3.180 171 H THR 21 H THR 21 9.705 0.236 -0.556 172 HA THR 21 HA THR 21 11.770 1.995 -1.829 173 HB THR 21 HB THR 21 8.928 2.582 -0.940 174 HG1 THR 21 HG1 THR 21 8.605 1.501 -2.731 175 HG21 THR 21 HG21 THR 21 9.914 4.676 -0.920 176 HG22 THR 21 HG22 THR 21 9.476 4.561 -2.625 177 HG23 THR 21 HG23 THR 21 11.131 4.229 -2.115 178 H LEU 22 H LEU 22 10.481 0.945 1.215 179 HA LEU 22 HA LEU 22 10.971 3.201 2.876 180 HB2 LEU 22 HB2 LEU 22 10.865 0.221 3.210 181 HB3 LEU 22 HB3 LEU 22 11.408 1.204 4.569 182 HG LEU 22 HG LEU 22 8.836 1.768 3.078 183 HD11 LEU 22 HD11 LEU 22 9.273 0.116 5.586 184 HD12 LEU 22 HD12 LEU 22 8.681 -0.480 4.036 185 HD13 LEU 22 HD13 LEU 22 7.698 0.636 4.982 186 HD21 LEU 22 HD21 LEU 22 9.440 3.675 4.313 187 HD22 LEU 22 HD22 LEU 22 10.146 2.723 5.619 188 HD23 LEU 22 HD23 LEU 22 8.393 2.807 5.436 189 H ARG 23 H ARG 23 13.164 0.707 1.664 190 HA ARG 23 HA ARG 23 15.516 0.550 1.689 191 HB2 ARG 23 HB2 ARG 23 14.924 2.946 0.811 192 HB3 ARG 23 HB3 ARG 23 15.524 3.484 2.379 193 HG2 ARG 23 HG2 ARG 23 17.438 1.641 1.479 194 HG3 ARG 23 HG3 ARG 23 17.022 2.591 0.052 195 HD2 ARG 23 HD2 ARG 23 17.547 3.994 2.670 196 HD3 ARG 23 HD3 ARG 23 18.903 3.493 1.641 197 HE ARG 23 HE ARG 23 17.940 4.859 -0.179 198 HH11 ARG 23 HH11 ARG 23 18.217 6.539 2.448 199 HH12 ARG 23 HH12 ARG 23 16.763 7.475 2.354 200 HH21 ARG 23 HH21 ARG 23 15.324 5.471 -0.096 201 HH22 ARG 23 HH22 ARG 23 15.118 6.868 0.905 202 HA PRO 24 HA PRO 24 15.465 0.564 6.337 203 HB2 PRO 24 HB2 PRO 24 16.013 -2.103 6.625 204 HB3 PRO 24 HB3 PRO 24 14.365 -1.467 6.454 205 HG2 PRO 24 HG2 PRO 24 16.115 -2.760 4.426 206 HG3 PRO 24 HG3 PRO 24 14.369 -2.909 4.671 207 HD2 PRO 24 HD2 PRO 24 15.499 -1.363 2.723 208 HD3 PRO 24 HD3 PRO 24 13.906 -1.041 3.442 209 H GLU 25 H GLU 25 17.336 -0.232 7.787 210 HA GLU 25 HA GLU 25 19.891 0.516 6.572 211 HB2 GLU 25 HB2 GLU 25 18.735 -0.040 9.252 212 HB3 GLU 25 HB3 GLU 25 20.465 -0.338 9.094 213 HG2 GLU 25 HG2 GLU 25 20.195 1.958 9.781 214 HG3 GLU 25 HG3 GLU 25 20.683 1.971 8.087 215 H ARG 26 H ARG 26 18.426 -2.489 7.811 216 HA ARG 26 HA ARG 26 19.037 -4.745 7.516 217 HB2 ARG 26 HB2 ARG 26 19.399 -3.412 5.146 218 HB3 ARG 26 HB3 ARG 26 21.000 -4.107 5.397 219 HG2 ARG 26 HG2 ARG 26 20.165 -6.316 5.440 220 HG3 ARG 26 HG3 ARG 26 18.508 -5.777 5.718 221 HD2 ARG 26 HD2 ARG 26 18.642 -4.647 3.414 222 HD3 ARG 26 HD3 ARG 26 20.116 -5.602 3.157 223 HE ARG 26 HE ARG 26 18.791 -7.632 3.351 224 HH11 ARG 26 HH11 ARG 26 17.156 -6.117 1.362 225 HH12 ARG 26 HH12 ARG 26 15.563 -6.223 2.033 226 HH21 ARG 26 HH21 ARG 26 16.674 -7.164 5.190 227 HH22 ARG 26 HH22 ARG 26 15.288 -6.820 4.210 Start of MODEL 10 1 HA ARG 1 HA ARG 1 -20.590 -1.430 -4.866 2 HB2 ARG 1 HB2 ARG 1 -19.634 1.423 -4.997 3 HB3 ARG 1 HB3 ARG 1 -18.457 0.110 -4.995 4 HG2 ARG 1 HG2 ARG 1 -20.070 -0.884 -6.861 5 HG3 ARG 1 HG3 ARG 1 -20.507 0.813 -7.059 6 HD2 ARG 1 HD2 ARG 1 -17.963 1.275 -7.164 7 HD3 ARG 1 HD3 ARG 1 -17.794 -0.473 -7.423 8 HE ARG 1 HE ARG 1 -19.411 -0.178 -9.361 9 HH11 ARG 1 HH11 ARG 1 -20.227 2.622 -8.968 10 HH12 ARG 1 HH12 ARG 1 -19.169 3.496 -10.025 11 HH21 ARG 1 HH21 ARG 1 -16.907 0.876 -10.350 12 HH22 ARG 1 HH22 ARG 1 -17.281 2.502 -10.811 13 H SER 2 H SER 2 -18.498 -1.967 -3.615 14 HA SER 2 HA SER 2 -19.046 -1.953 -0.759 15 HB2 SER 2 HB2 SER 2 -17.337 -3.268 -2.671 16 HB3 SER 2 HB3 SER 2 -16.363 -2.719 -1.313 17 HG SER 2 HG SER 2 -18.414 -4.594 -1.422 18 H ALA 3 H ALA 3 -17.887 -0.839 0.881 19 HA ALA 3 HA ALA 3 -16.397 1.586 -0.051 20 HB1 ALA 3 HB1 ALA 3 -18.535 1.711 1.325 21 HB2 ALA 3 HB2 ALA 3 -17.156 2.572 2.009 22 HB3 ALA 3 HB3 ALA 3 -17.624 0.999 2.657 23 H LEU 4 H LEU 4 -16.245 -1.081 2.340 24 HA LEU 4 HA LEU 4 -13.570 -0.262 3.256 25 HB2 LEU 4 HB2 LEU 4 -15.750 -1.718 4.245 26 HB3 LEU 4 HB3 LEU 4 -14.486 -2.925 4.019 27 HG LEU 4 HG LEU 4 -14.385 -1.912 6.277 28 HD11 LEU 4 HD11 LEU 4 -12.037 -1.563 6.309 29 HD12 LEU 4 HD12 LEU 4 -12.028 -0.920 4.668 30 HD13 LEU 4 HD13 LEU 4 -12.314 -2.638 4.939 31 HD21 LEU 4 HD21 LEU 4 -15.262 0.349 5.379 32 HD22 LEU 4 HD22 LEU 4 -13.587 0.675 4.936 33 HD23 LEU 4 HD23 LEU 4 -14.014 0.403 6.624 34 H VAL 5 H VAL 5 -14.379 -1.563 0.401 35 HA VAL 5 HA VAL 5 -12.333 -3.731 0.392 36 HB VAL 5 HB VAL 5 -14.460 -2.800 -1.569 37 HG11 VAL 5 HG11 VAL 5 -13.803 -5.131 -2.607 38 HG12 VAL 5 HG12 VAL 5 -12.259 -4.833 -1.808 39 HG13 VAL 5 HG13 VAL 5 -12.860 -3.697 -3.014 40 HG21 VAL 5 HG21 VAL 5 -14.172 -5.177 0.287 41 HG22 VAL 5 HG22 VAL 5 -15.352 -5.130 -1.023 42 HG23 VAL 5 HG23 VAL 5 -15.444 -3.956 0.289 43 H ASN 6 H ASN 6 -13.223 -0.795 -1.479 44 HA ASN 6 HA ASN 6 -10.835 -0.701 -3.070 45 HB2 ASN 6 HB2 ASN 6 -13.241 0.806 -2.613 46 HB3 ASN 6 HB3 ASN 6 -11.873 1.919 -2.606 47 HD21 ASN 6 HD21 ASN 6 -10.256 1.519 -4.527 48 HD22 ASN 6 HD22 ASN 6 -10.958 1.144 -6.027 49 H SER 7 H SER 7 -11.645 0.719 0.110 50 HA SER 7 HA SER 7 -9.368 2.399 0.437 51 HB2 SER 7 HB2 SER 7 -9.862 1.931 2.907 52 HB3 SER 7 HB3 SER 7 -11.224 2.515 1.957 53 HG SER 7 HG SER 7 -11.343 0.475 3.394 54 H TYR 8 H TYR 8 -9.837 -0.990 1.528 55 HA TYR 8 HA TYR 8 -7.118 -1.403 2.392 56 HB2 TYR 8 HB2 TYR 8 -8.821 -2.852 3.211 57 HB3 TYR 8 HB3 TYR 8 -9.452 -3.156 1.594 58 HD1 TYR 8 HD1 TYR 8 -6.381 -3.630 3.684 59 HD2 TYR 8 HD2 TYR 8 -8.748 -5.044 0.390 60 HE1 TYR 8 HE2 TYR 8 -4.908 -5.612 3.478 61 HE2 TYR 8 HE1 TYR 8 -7.273 -7.027 0.182 62 HH TYR 8 HH TYR 8 -5.707 -8.334 1.850 63 H LEU 9 H LEU 9 -8.816 -1.988 -0.690 64 HA LEU 9 HA LEU 9 -6.737 -3.356 -2.086 65 HB2 LEU 9 HB2 LEU 9 -9.156 -1.722 -2.737 66 HB3 LEU 9 HB3 LEU 9 -8.032 -2.057 -4.050 67 HG LEU 9 HG LEU 9 -9.175 -4.196 -2.233 68 HD11 LEU 9 HD11 LEU 9 -10.005 -3.540 -5.072 69 HD12 LEU 9 HD12 LEU 9 -10.899 -3.001 -3.651 70 HD13 LEU 9 HD13 LEU 9 -10.737 -4.724 -3.989 71 HD21 LEU 9 HD21 LEU 9 -7.600 -4.242 -4.825 72 HD22 LEU 9 HD22 LEU 9 -8.396 -5.661 -4.144 73 HD23 LEU 9 HD23 LEU 9 -7.092 -4.872 -3.258 74 H TRP 10 H TRP 10 -7.327 0.104 -1.532 75 HA TRP 10 HA TRP 10 -5.244 1.037 -3.334 76 HB2 TRP 10 HB2 TRP 10 -7.194 2.390 -2.647 77 HB3 TRP 10 HB3 TRP 10 -6.654 2.326 -0.969 78 HD1 TRP 10 HD1 TRP 10 -4.649 3.053 -4.194 79 HE1 TRP 10 HE1 TRP 10 -3.401 5.284 -3.882 80 HE3 TRP 10 HE3 TRP 10 -6.379 4.393 0.420 81 HZ2 TRP 10 HZ2 TRP 10 -3.167 7.365 -1.934 82 HZ3 TRP 10 HZ3 TRP 10 -5.627 6.502 1.479 83 HH2 TRP 10 HH2 TRP 10 -4.024 7.989 0.309 84 H GLN 11 H GLN 11 -5.454 0.398 0.177 85 HA GLN 11 HA GLN 11 -2.872 1.370 0.922 86 HB2 GLN 11 HB2 GLN 11 -5.067 0.257 2.151 87 HB3 GLN 11 HB3 GLN 11 -3.889 -1.047 2.297 88 HG2 GLN 11 HG2 GLN 11 -2.709 1.558 2.897 89 HG3 GLN 11 HG3 GLN 11 -4.072 1.190 3.954 90 HE21 GLN 11 HE21 GLN 11 -3.990 -1.195 4.870 91 HE22 GLN 11 HE22 GLN 11 -2.459 -1.754 5.341 92 H ARG 12 H ARG 12 -3.924 -1.767 -0.384 93 HA ARG 12 HA ARG 12 -1.586 -3.323 -0.012 94 HB2 ARG 12 HB2 ARG 12 -3.688 -3.158 -2.188 95 HB3 ARG 12 HB3 ARG 12 -2.457 -4.419 -2.174 96 HG2 ARG 12 HG2 ARG 12 -4.073 -3.926 0.309 97 HG3 ARG 12 HG3 ARG 12 -4.789 -4.844 -1.016 98 HD2 ARG 12 HD2 ARG 12 -3.737 -6.649 -0.098 99 HD3 ARG 12 HD3 ARG 12 -2.248 -5.963 -0.778 100 HE ARG 12 HE ARG 12 -2.785 -4.612 1.669 101 HH11 ARG 12 HH11 ARG 12 -3.490 -7.464 2.422 102 HH12 ARG 12 HH12 ARG 12 -1.963 -8.057 2.990 103 HH21 ARG 12 HH21 ARG 12 -0.131 -5.476 1.546 104 HH22 ARG 12 HH22 ARG 12 -0.054 -6.927 2.489 105 H TRP 13 H TRP 13 -2.380 -0.970 -2.561 106 HA TRP 13 HA TRP 13 -0.224 -1.363 -4.346 107 HB2 TRP 13 HB2 TRP 13 -2.371 0.354 -3.999 108 HB3 TRP 13 HB3 TRP 13 -0.992 1.433 -3.827 109 HD1 TRP 13 HD1 TRP 13 -2.976 1.499 -6.299 110 HE1 TRP 13 HE1 TRP 13 -2.037 1.171 -8.681 111 HE3 TRP 13 HE3 TRP 13 1.411 -0.865 -5.197 112 HZ2 TRP 13 HZ2 TRP 13 0.273 0.052 -9.944 113 HZ3 TRP 13 HZ3 TRP 13 2.959 -1.550 -7.002 114 HH2 TRP 13 HH2 TRP 13 2.399 -1.094 -9.373 115 H GLU 14 H GLU 14 -0.408 1.173 -1.825 116 HA GLU 14 HA GLU 14 2.393 1.837 -1.973 117 HB2 GLU 14 HB2 GLU 14 0.214 2.343 0.075 118 HB3 GLU 14 HB3 GLU 14 1.786 3.146 0.082 119 HG2 GLU 14 HG2 GLU 14 1.195 3.700 -2.426 120 HG3 GLU 14 HG3 GLU 14 -0.463 3.410 -1.895 121 H ASN 15 H ASN 15 0.537 -0.445 0.014 122 HA ASN 15 HA ASN 15 2.338 -0.947 2.125 123 HB2 ASN 15 HB2 ASN 15 -0.015 -1.921 1.488 124 HB3 ASN 15 HB3 ASN 15 0.914 -3.160 0.648 125 HD21 ASN 15 HD21 ASN 15 2.885 -3.983 2.196 126 HD22 ASN 15 HD22 ASN 15 2.398 -4.355 3.778 127 H TRP 16 H TRP 16 2.269 -2.485 -1.122 128 HA TRP 16 HA TRP 16 4.699 -4.014 -0.730 129 HB2 TRP 16 HB2 TRP 16 3.223 -4.788 -2.405 130 HB3 TRP 16 HB3 TRP 16 2.958 -3.167 -3.049 131 HD1 TRP 16 HD1 TRP 16 5.545 -5.995 -3.014 132 HE1 TRP 16 HE1 TRP 16 7.180 -5.642 -4.975 133 HE3 TRP 16 HE3 TRP 16 3.958 -1.431 -4.676 134 HZ2 TRP 16 HZ2 TRP 16 7.741 -3.684 -6.982 135 HZ3 TRP 16 HZ3 TRP 16 5.061 -0.348 -6.612 136 HH2 TRP 16 HH2 TRP 16 6.949 -1.467 -7.767 137 H PHE 17 H PHE 17 3.968 -0.889 -2.313 138 HA PHE 17 HA PHE 17 6.534 -0.268 -3.333 139 HB2 PHE 17 HB2 PHE 17 4.641 1.064 -3.923 140 HB3 PHE 17 HB3 PHE 17 4.227 1.359 -2.236 141 HD1 PHE 17 HD1 PHE 17 7.058 1.891 -4.648 142 HD2 PHE 17 HD2 PHE 17 4.877 3.374 -1.257 143 HE1 PHE 17 HE2 PHE 17 8.435 3.953 -4.663 144 HE2 PHE 17 HE1 PHE 17 6.254 5.436 -1.274 145 HZ PHE 17 HZ PHE 17 8.031 5.726 -2.977 146 H TRP 18 H TRP 18 5.137 0.746 -0.181 147 HA TRP 18 HA TRP 18 7.552 1.869 0.878 148 HB2 TRP 18 HB2 TRP 18 5.027 0.714 2.092 149 HB3 TRP 18 HB3 TRP 18 6.275 1.485 3.069 150 HD1 TRP 18 HD1 TRP 18 3.149 2.332 1.599 151 HE1 TRP 18 HE1 TRP 18 2.952 4.843 1.048 152 HE3 TRP 18 HE3 TRP 18 8.066 3.685 1.885 153 HZ2 TRP 18 HZ2 TRP 18 4.655 7.124 0.771 154 HZ3 TRP 18 HZ3 TRP 18 8.749 6.030 1.474 155 HH2 TRP 18 HH2 TRP 18 7.052 7.750 0.918 156 H ASN 19 H ASN 19 6.257 -1.439 0.884 157 HA ASN 19 HA ASN 19 7.946 -2.629 2.839 158 HB2 ASN 19 HB2 ASN 19 5.918 -3.558 1.602 159 HB3 ASN 19 HB3 ASN 19 6.998 -3.876 0.245 160 HD21 ASN 19 HD21 ASN 19 6.059 -4.956 3.451 161 HD22 ASN 19 HD22 ASN 19 7.079 -6.312 3.498 162 H VAL 20 H VAL 20 8.530 -2.038 -0.646 163 HA VAL 20 HA VAL 20 11.296 -3.127 -0.343 164 HB VAL 20 HB VAL 20 11.256 -3.028 -2.848 165 HG11 VAL 20 HG11 VAL 20 8.867 -4.427 -1.610 166 HG12 VAL 20 HG12 VAL 20 10.517 -5.050 -1.614 167 HG13 VAL 20 HG13 VAL 20 9.645 -4.851 -3.135 168 HG21 VAL 20 HG21 VAL 20 9.254 -1.170 -2.508 169 HG22 VAL 20 HG22 VAL 20 8.335 -2.612 -2.935 170 HG23 VAL 20 HG23 VAL 20 9.589 -2.012 -4.019 171 H THR 21 H THR 21 9.849 -0.164 0.045 172 HA THR 21 HA THR 21 12.076 1.356 -1.243 173 HB THR 21 HB THR 21 9.321 2.107 -0.221 174 HG1 THR 21 HG1 THR 21 9.041 1.339 -2.187 175 HG21 THR 21 HG21 THR 21 11.612 3.816 -1.183 176 HG22 THR 21 HG22 THR 21 10.589 4.043 0.236 177 HG23 THR 21 HG23 THR 21 9.940 4.343 -1.375 178 H LEU 22 H LEU 22 10.391 0.880 1.852 179 HA LEU 22 HA LEU 22 11.892 2.801 3.373 180 HB2 LEU 22 HB2 LEU 22 10.342 0.291 4.058 181 HB3 LEU 22 HB3 LEU 22 11.027 1.347 5.292 182 HG LEU 22 HG LEU 22 9.149 2.322 3.123 183 HD11 LEU 22 HD11 LEU 22 8.250 0.586 4.863 184 HD12 LEU 22 HD12 LEU 22 7.335 2.068 4.586 185 HD13 LEU 22 HD13 LEU 22 8.373 1.926 6.005 186 HD21 LEU 22 HD21 LEU 22 10.282 3.512 5.668 187 HD22 LEU 22 HD22 LEU 22 8.890 4.203 4.834 188 HD23 LEU 22 HD23 LEU 22 10.453 4.122 4.022 189 H ARG 23 H ARG 23 12.191 -0.764 3.333 190 HA ARG 23 HA ARG 23 15.110 -0.653 3.305 191 HB2 ARG 23 HB2 ARG 23 15.301 -1.687 5.610 192 HB3 ARG 23 HB3 ARG 23 14.750 -0.014 5.611 193 HG2 ARG 23 HG2 ARG 23 12.474 -1.769 5.371 194 HG3 ARG 23 HG3 ARG 23 13.451 -2.260 6.756 195 HD2 ARG 23 HD2 ARG 23 13.415 0.063 7.612 196 HD3 ARG 23 HD3 ARG 23 12.418 0.552 6.228 197 HE ARG 23 HE ARG 23 10.909 -1.463 7.133 198 HH11 ARG 23 HH11 ARG 23 12.418 -1.505 9.729 199 HH12 ARG 23 HH12 ARG 23 11.465 -0.453 10.720 200 HH21 ARG 23 HH21 ARG 23 9.767 0.959 8.031 201 HH22 ARG 23 HH22 ARG 23 9.955 0.950 9.753 202 HA PRO 24 HA PRO 24 13.168 -4.557 1.780 203 HB2 PRO 24 HB2 PRO 24 14.620 -4.665 -0.538 204 HB3 PRO 24 HB3 PRO 24 13.103 -3.758 -0.389 205 HG2 PRO 24 HG2 PRO 24 15.909 -2.776 -0.316 206 HG3 PRO 24 HG3 PRO 24 14.475 -2.045 -1.054 207 HD2 PRO 24 HD2 PRO 24 15.520 -1.234 1.331 208 HD3 PRO 24 HD3 PRO 24 13.802 -1.072 0.903 209 H GLU 25 H GLU 25 14.452 -6.597 0.995 210 HA GLU 25 HA GLU 25 16.104 -8.221 1.419 211 HB2 GLU 25 HB2 GLU 25 17.511 -5.611 1.144 212 HB3 GLU 25 HB3 GLU 25 18.445 -6.924 1.857 213 HG2 GLU 25 HG2 GLU 25 18.858 -7.533 -0.291 214 HG3 GLU 25 HG3 GLU 25 17.221 -8.190 -0.255 215 H ARG 26 H ARG 26 17.908 -8.761 3.189 216 HA ARG 26 HA ARG 26 17.474 -7.497 5.810 217 HB2 ARG 26 HB2 ARG 26 16.550 -9.611 6.791 218 HB3 ARG 26 HB3 ARG 26 15.480 -8.887 5.592 219 HG2 ARG 26 HG2 ARG 26 15.560 -10.752 4.334 220 HG3 ARG 26 HG3 ARG 26 17.320 -10.674 4.272 221 HD2 ARG 26 HD2 ARG 26 15.910 -11.728 6.731 222 HD3 ARG 26 HD3 ARG 26 16.272 -12.787 5.354 223 HE ARG 26 HE ARG 26 18.691 -11.822 5.622 224 HH11 ARG 26 HH11 ARG 26 17.750 -14.096 7.492 225 HH12 ARG 26 HH12 ARG 26 18.352 -13.524 9.011 226 HH21 ARG 26 HH21 ARG 26 18.900 -10.283 7.870 227 HH22 ARG 26 HH22 ARG 26 19.006 -11.357 9.227 Start of MODEL 11 1 HA ARG 1 HA ARG 1 -15.500 1.814 -7.388 2 HB2 ARG 1 HB2 ARG 1 -14.116 3.282 -6.097 3 HB3 ARG 1 HB3 ARG 1 -14.654 4.235 -7.479 4 HG2 ARG 1 HG2 ARG 1 -16.658 4.590 -5.540 5 HG3 ARG 1 HG3 ARG 1 -15.141 4.676 -4.646 6 HD2 ARG 1 HD2 ARG 1 -15.095 6.145 -7.208 7 HD3 ARG 1 HD3 ARG 1 -16.235 6.793 -6.012 8 HE ARG 1 HE ARG 1 -13.303 6.458 -5.574 9 HH11 ARG 1 HH11 ARG 1 -14.926 9.082 -5.544 10 HH12 ARG 1 HH12 ARG 1 -14.996 9.394 -3.843 11 HH21 ARG 1 HH21 ARG 1 -14.028 6.178 -2.948 12 HH22 ARG 1 HH22 ARG 1 -14.483 7.744 -2.366 13 H SER 2 H SER 2 -15.174 1.181 -5.000 14 HA SER 2 HA SER 2 -17.804 1.266 -3.549 15 HB2 SER 2 HB2 SER 2 -15.838 -0.876 -4.217 16 HB3 SER 2 HB3 SER 2 -16.620 -0.981 -2.642 17 HG SER 2 HG SER 2 -17.610 -1.734 -4.921 18 H ALA 3 H ALA 3 -17.573 1.109 -1.146 19 HA ALA 3 HA ALA 3 -15.285 2.740 -0.201 20 HB1 ALA 3 HB1 ALA 3 -16.715 2.712 1.910 21 HB2 ALA 3 HB2 ALA 3 -17.892 1.766 0.999 22 HB3 ALA 3 HB3 ALA 3 -17.490 3.406 0.487 23 H LEU 4 H LEU 4 -16.720 -0.483 0.400 24 HA LEU 4 HA LEU 4 -14.540 -1.170 2.291 25 HB2 LEU 4 HB2 LEU 4 -17.122 -1.716 2.363 26 HB3 LEU 4 HB3 LEU 4 -16.669 -3.047 1.298 27 HG LEU 4 HG LEU 4 -14.753 -3.339 3.168 28 HD11 LEU 4 HD11 LEU 4 -17.115 -2.052 4.562 29 HD12 LEU 4 HD12 LEU 4 -15.435 -1.518 4.589 30 HD13 LEU 4 HD13 LEU 4 -15.898 -3.011 5.405 31 HD21 LEU 4 HD21 LEU 4 -16.167 -5.088 4.153 32 HD22 LEU 4 HD22 LEU 4 -16.393 -5.047 2.405 33 HD23 LEU 4 HD23 LEU 4 -17.607 -4.334 3.467 34 H VAL 5 H VAL 5 -14.200 -0.817 -0.792 35 HA VAL 5 HA VAL 5 -12.927 -3.491 -1.288 36 HB VAL 5 HB VAL 5 -14.325 -1.564 -3.174 37 HG11 VAL 5 HG11 VAL 5 -12.569 -2.473 -4.469 38 HG12 VAL 5 HG12 VAL 5 -13.929 -3.545 -4.800 39 HG13 VAL 5 HG13 VAL 5 -12.672 -4.039 -3.667 40 HG21 VAL 5 HG21 VAL 5 -14.978 -4.301 -2.064 41 HG22 VAL 5 HG22 VAL 5 -15.744 -3.683 -3.527 42 HG23 VAL 5 HG23 VAL 5 -15.957 -2.837 -1.994 43 H ASN 6 H ASN 6 -12.775 0.008 -2.102 44 HA ASN 6 HA ASN 6 -10.094 -0.146 -3.204 45 HB2 ASN 6 HB2 ASN 6 -10.412 2.138 -3.590 46 HB3 ASN 6 HB3 ASN 6 -12.078 1.572 -3.497 47 HD21 ASN 6 HD21 ASN 6 -9.547 3.326 -1.698 48 HD22 ASN 6 HD22 ASN 6 -10.597 3.996 -0.545 49 H SER 7 H SER 7 -11.366 0.212 0.044 50 HA SER 7 HA SER 7 -9.343 1.572 1.425 51 HB2 SER 7 HB2 SER 7 -11.580 0.442 2.155 52 HB3 SER 7 HB3 SER 7 -10.585 -0.982 2.447 53 HG SER 7 HG SER 7 -10.928 0.674 4.206 54 H TYR 8 H TYR 8 -9.455 -1.988 0.914 55 HA TYR 8 HA TYR 8 -6.724 -2.381 1.848 56 HB2 TYR 8 HB2 TYR 8 -8.148 -4.215 2.156 57 HB3 TYR 8 HB3 TYR 8 -8.931 -3.996 0.593 58 HD1 TYR 8 HD1 TYR 8 -5.638 -4.926 2.126 59 HD2 TYR 8 HD2 TYR 8 -8.278 -5.295 -1.244 60 HE1 TYR 8 HE2 TYR 8 -4.120 -6.611 1.121 61 HE2 TYR 8 HE1 TYR 8 -6.762 -6.980 -2.248 62 HH TYR 8 HH TYR 8 -4.450 -7.679 -2.133 63 H LEU 9 H LEU 9 -8.304 -2.302 -1.363 64 HA LEU 9 HA LEU 9 -6.093 -2.980 -2.991 65 HB2 LEU 9 HB2 LEU 9 -8.641 -1.455 -3.240 66 HB3 LEU 9 HB3 LEU 9 -7.459 -1.223 -4.528 67 HG LEU 9 HG LEU 9 -8.304 -3.966 -3.566 68 HD11 LEU 9 HD11 LEU 9 -10.324 -3.074 -4.412 69 HD12 LEU 9 HD12 LEU 9 -9.625 -3.919 -5.793 70 HD13 LEU 9 HD13 LEU 9 -9.495 -2.164 -5.675 71 HD21 LEU 9 HD21 LEU 9 -7.345 -4.678 -5.706 72 HD22 LEU 9 HD22 LEU 9 -6.148 -3.754 -4.799 73 HD23 LEU 9 HD23 LEU 9 -7.012 -3.001 -6.139 74 H TRP 10 H TRP 10 -7.018 0.209 -1.660 75 HA TRP 10 HA TRP 10 -4.915 1.673 -3.025 76 HB2 TRP 10 HB2 TRP 10 -6.835 2.879 -2.307 77 HB3 TRP 10 HB3 TRP 10 -6.782 2.166 -0.695 78 HD1 TRP 10 HD1 TRP 10 -4.632 4.503 -2.909 79 HE1 TRP 10 HE1 TRP 10 -3.439 6.192 -1.370 80 HE3 TRP 10 HE3 TRP 10 -6.175 2.789 1.648 81 HZ2 TRP 10 HZ2 TRP 10 -3.178 6.745 1.421 82 HZ3 TRP 10 HZ3 TRP 10 -5.439 3.915 3.728 83 HH2 TRP 10 HH2 TRP 10 -3.943 5.890 3.621 84 H GLN 11 H GLN 11 -5.285 0.493 0.350 85 HA GLN 11 HA GLN 11 -2.729 1.378 1.278 86 HB2 GLN 11 HB2 GLN 11 -4.865 0.497 2.499 87 HB3 GLN 11 HB3 GLN 11 -4.144 -1.097 2.270 88 HG2 GLN 11 HG2 GLN 11 -3.290 -0.473 4.358 89 HG3 GLN 11 HG3 GLN 11 -1.993 0.022 3.271 90 HE21 GLN 11 HE21 GLN 11 -1.741 2.347 2.845 91 HE22 GLN 11 HE22 GLN 11 -2.498 3.504 3.828 92 H ARG 12 H ARG 12 -3.727 -1.931 0.255 93 HA ARG 12 HA ARG 12 -1.256 -3.246 0.434 94 HB2 ARG 12 HB2 ARG 12 -3.750 -3.852 -0.416 95 HB3 ARG 12 HB3 ARG 12 -2.933 -3.754 -1.976 96 HG2 ARG 12 HG2 ARG 12 -1.880 -5.384 0.349 97 HG3 ARG 12 HG3 ARG 12 -2.916 -6.054 -0.911 98 HD2 ARG 12 HD2 ARG 12 -1.202 -5.179 -2.604 99 HD3 ARG 12 HD3 ARG 12 -0.125 -4.916 -1.218 100 HE ARG 12 HE ARG 12 -0.339 -7.338 -0.706 101 HH11 ARG 12 HH11 ARG 12 0.660 -6.830 -3.622 102 HH12 ARG 12 HH12 ARG 12 -0.196 -8.085 -4.453 103 HH21 ARG 12 HH21 ARG 12 -2.381 -8.699 -1.817 104 HH22 ARG 12 HH22 ARG 12 -1.923 -9.152 -3.426 105 H TRP 13 H TRP 13 -2.427 -1.152 -2.198 106 HA TRP 13 HA TRP 13 -0.365 -1.605 -4.104 107 HB2 TRP 13 HB2 TRP 13 -2.613 0.042 -3.728 108 HB3 TRP 13 HB3 TRP 13 -1.273 1.160 -3.949 109 HD1 TRP 13 HD1 TRP 13 -3.621 0.618 -6.078 110 HE1 TRP 13 HE1 TRP 13 -2.970 -0.096 -8.472 111 HE3 TRP 13 HE3 TRP 13 1.090 -1.146 -5.218 112 HZ2 TRP 13 HZ2 TRP 13 -0.739 -1.257 -9.836 113 HZ3 TRP 13 HZ3 TRP 13 2.456 -2.046 -7.078 114 HH2 TRP 13 HH2 TRP 13 1.549 -2.103 -9.383 115 H GLU 14 H GLU 14 -0.630 1.112 -1.793 116 HA GLU 14 HA GLU 14 2.113 1.981 -2.240 117 HB2 GLU 14 HB2 GLU 14 -0.025 2.695 -0.211 118 HB3 GLU 14 HB3 GLU 14 1.470 3.602 -0.449 119 HG2 GLU 14 HG2 GLU 14 0.708 3.614 -2.978 120 HG3 GLU 14 HG3 GLU 14 -0.890 3.327 -2.288 121 H ASN 15 H ASN 15 0.434 0.297 0.457 122 HA ASN 15 HA ASN 15 2.551 0.233 2.325 123 HB2 ASN 15 HB2 ASN 15 0.032 -0.733 2.210 124 HB3 ASN 15 HB3 ASN 15 0.918 -2.234 1.939 125 HD21 ASN 15 HD21 ASN 15 3.149 -1.980 3.578 126 HD22 ASN 15 HD22 ASN 15 2.673 -1.785 5.196 127 H TRP 16 H TRP 16 1.906 -1.985 -0.416 128 HA TRP 16 HA TRP 16 4.195 -3.692 0.078 129 HB2 TRP 16 HB2 TRP 16 2.417 -4.565 -1.238 130 HB3 TRP 16 HB3 TRP 16 2.337 -3.117 -2.240 131 HD1 TRP 16 HD1 TRP 16 4.446 -6.265 -1.684 132 HE1 TRP 16 HE1 TRP 16 5.915 -6.650 -3.765 133 HE3 TRP 16 HE3 TRP 16 3.439 -1.981 -4.281 134 HZ2 TRP 16 HZ2 TRP 16 6.580 -5.320 -6.204 135 HZ3 TRP 16 HZ3 TRP 16 4.507 -1.569 -6.480 136 HH2 TRP 16 HH2 TRP 16 6.075 -3.233 -7.439 137 H PHE 17 H PHE 17 3.600 -0.935 -2.132 138 HA PHE 17 HA PHE 17 6.147 -0.860 -3.395 139 HB2 PHE 17 HB2 PHE 17 3.967 0.380 -3.917 140 HB3 PHE 17 HB3 PHE 17 4.420 1.515 -2.645 141 HD1 PHE 17 HD1 PHE 17 5.545 0.032 -5.874 142 HD2 PHE 17 HD2 PHE 17 6.034 3.215 -3.032 143 HE1 PHE 17 HE2 PHE 17 7.017 1.230 -7.470 144 HE2 PHE 17 HE1 PHE 17 7.505 4.415 -4.629 145 HZ PHE 17 HZ PHE 17 7.997 3.422 -6.847 146 H TRP 18 H TRP 18 4.998 0.749 -0.411 147 HA TRP 18 HA TRP 18 7.546 2.049 0.131 148 HB2 TRP 18 HB2 TRP 18 5.073 1.495 1.796 149 HB3 TRP 18 HB3 TRP 18 6.397 2.534 2.315 150 HD1 TRP 18 HD1 TRP 18 3.241 3.287 1.500 151 HE1 TRP 18 HE1 TRP 18 2.910 5.279 -0.101 152 HE3 TRP 18 HE3 TRP 18 7.916 3.563 -0.551 153 HZ2 TRP 18 HZ2 TRP 18 4.424 6.786 -1.995 154 HZ3 TRP 18 HZ3 TRP 18 8.439 5.286 -2.248 155 HH2 TRP 18 HH2 TRP 18 6.701 6.898 -2.973 156 H ASN 19 H ASN 19 6.406 -1.181 0.612 157 HA ASN 19 HA ASN 19 8.350 -1.659 2.829 158 HB2 ASN 19 HB2 ASN 19 5.871 -2.921 1.764 159 HB3 ASN 19 HB3 ASN 19 7.068 -4.010 2.462 160 HD21 ASN 19 HD21 ASN 19 5.355 -0.926 3.250 161 HD22 ASN 19 HD22 ASN 19 5.292 -1.225 4.920 162 H VAL 20 H VAL 20 7.816 -2.314 -0.586 163 HA VAL 20 HA VAL 20 10.089 -4.257 -0.625 164 HB VAL 20 HB VAL 20 7.979 -3.541 -2.692 165 HG11 VAL 20 HG11 VAL 20 10.074 -4.495 -3.634 166 HG12 VAL 20 HG12 VAL 20 8.703 -5.589 -3.820 167 HG13 VAL 20 HG13 VAL 20 9.901 -5.884 -2.559 168 HG21 VAL 20 HG21 VAL 20 7.194 -5.926 -2.013 169 HG22 VAL 20 HG22 VAL 20 6.798 -4.586 -0.937 170 HG23 VAL 20 HG23 VAL 20 8.142 -5.660 -0.552 171 H THR 21 H THR 21 8.928 -1.251 -2.201 172 HA THR 21 HA THR 21 11.308 -0.990 -3.864 173 HB THR 21 HB THR 21 9.286 1.142 -3.148 174 HG1 THR 21 HG1 THR 21 7.880 -0.184 -3.947 175 HG21 THR 21 HG21 THR 21 11.247 1.813 -4.505 176 HG22 THR 21 HG22 THR 21 9.748 1.913 -5.429 177 HG23 THR 21 HG23 THR 21 10.847 0.558 -5.680 178 H LEU 22 H LEU 22 10.263 0.356 -0.753 179 HA LEU 22 HA LEU 22 12.394 2.313 -0.563 180 HB2 LEU 22 HB2 LEU 22 10.522 0.992 1.416 181 HB3 LEU 22 HB3 LEU 22 11.665 2.245 1.892 182 HG LEU 22 HG LEU 22 9.430 2.511 -0.141 183 HD11 LEU 22 HD11 LEU 22 9.906 3.507 2.661 184 HD12 LEU 22 HD12 LEU 22 8.461 2.759 1.983 185 HD13 LEU 22 HD13 LEU 22 8.875 4.419 1.559 186 HD21 LEU 22 HD21 LEU 22 11.172 3.851 -1.018 187 HD22 LEU 22 HD22 LEU 22 11.737 4.320 0.586 188 HD23 LEU 22 HD23 LEU 22 10.229 4.979 -0.046 189 H ARG 23 H ARG 23 11.903 -0.667 1.348 190 HA ARG 23 HA ARG 23 13.466 -2.083 2.418 191 HB2 ARG 23 HB2 ARG 23 13.699 -2.172 -0.267 192 HB3 ARG 23 HB3 ARG 23 15.329 -1.631 0.130 193 HG2 ARG 23 HG2 ARG 23 14.178 -3.902 1.705 194 HG3 ARG 23 HG3 ARG 23 14.719 -4.224 0.058 195 HD2 ARG 23 HD2 ARG 23 16.455 -2.836 2.130 196 HD3 ARG 23 HD3 ARG 23 16.516 -4.579 1.809 197 HE ARG 23 HE ARG 23 16.702 -3.026 -0.642 198 HH11 ARG 23 HH11 ARG 23 18.824 -2.001 1.335 199 HH12 ARG 23 HH12 ARG 23 20.183 -2.978 0.888 200 HH21 ARG 23 HH21 ARG 23 18.271 -5.257 -0.916 201 HH22 ARG 23 HH22 ARG 23 19.866 -4.828 -0.397 202 HA PRO 24 HA PRO 24 16.234 1.514 3.567 203 HB2 PRO 24 HB2 PRO 24 15.187 2.035 6.038 204 HB3 PRO 24 HB3 PRO 24 14.580 2.793 4.554 205 HG2 PRO 24 HG2 PRO 24 13.433 0.578 6.150 206 HG3 PRO 24 HG3 PRO 24 12.619 1.841 5.216 207 HD2 PRO 24 HD2 PRO 24 12.972 -0.785 4.397 208 HD3 PRO 24 HD3 PRO 24 12.602 0.585 3.329 209 H GLU 25 H GLU 25 17.719 -0.394 3.631 210 HA GLU 25 HA GLU 25 19.186 -1.870 4.747 211 HB2 GLU 25 HB2 GLU 25 19.140 0.495 6.021 212 HB3 GLU 25 HB3 GLU 25 18.519 -0.514 7.328 213 HG2 GLU 25 HG2 GLU 25 20.536 -1.481 7.681 214 HG3 GLU 25 HG3 GLU 25 20.817 -1.715 5.956 215 H ARG 26 H ARG 26 16.457 -2.810 4.490 216 HA ARG 26 HA ARG 26 16.162 -4.396 7.024 217 HB2 ARG 26 HB2 ARG 26 14.267 -2.922 5.255 218 HB3 ARG 26 HB3 ARG 26 13.693 -4.446 5.931 219 HG2 ARG 26 HG2 ARG 26 14.739 -3.425 8.165 220 HG3 ARG 26 HG3 ARG 26 14.420 -1.906 7.328 221 HD2 ARG 26 HD2 ARG 26 12.158 -3.745 7.096 222 HD3 ARG 26 HD3 ARG 26 12.547 -3.378 8.789 223 HE ARG 26 HE ARG 26 12.016 -1.297 6.700 224 HH11 ARG 26 HH11 ARG 26 10.115 -2.060 9.006 225 HH12 ARG 26 HH12 ARG 26 10.411 -0.758 10.109 226 HH21 ARG 26 HH21 ARG 26 13.342 0.255 8.541 227 HH22 ARG 26 HH22 ARG 26 12.243 0.555 9.846 Start of MODEL 12 1 HA ARG 1 HA ARG 1 -19.710 0.605 -2.915 2 HB2 ARG 1 HB2 ARG 1 -22.049 -1.218 -3.265 3 HB3 ARG 1 HB3 ARG 1 -22.037 -0.211 -1.816 4 HG2 ARG 1 HG2 ARG 1 -22.129 1.773 -3.024 5 HG3 ARG 1 HG3 ARG 1 -21.397 1.055 -4.459 6 HD2 ARG 1 HD2 ARG 1 -23.546 1.014 -5.253 7 HD3 ARG 1 HD3 ARG 1 -23.721 -0.417 -4.219 8 HE ARG 1 HE ARG 1 -24.280 2.333 -3.166 9 HH11 ARG 1 HH11 ARG 1 -24.417 -0.034 -1.328 10 HH12 ARG 1 HH12 ARG 1 -26.106 -0.417 -1.352 11 HH21 ARG 1 HH21 ARG 1 -26.749 1.436 -4.223 12 HH22 ARG 1 HH22 ARG 1 -27.432 0.419 -2.998 13 H SER 2 H SER 2 -17.740 -0.551 -1.875 14 HA SER 2 HA SER 2 -18.586 -1.639 0.778 15 HB2 SER 2 HB2 SER 2 -17.627 -3.187 -1.322 16 HB3 SER 2 HB3 SER 2 -16.188 -2.900 -0.348 17 HG SER 2 HG SER 2 -16.969 -4.260 1.042 18 H ALA 3 H ALA 3 -17.116 -1.133 2.466 19 HA ALA 3 HA ALA 3 -15.154 1.017 1.817 20 HB1 ALA 3 HB1 ALA 3 -16.957 1.403 3.468 21 HB2 ALA 3 HB2 ALA 3 -15.368 1.498 4.228 22 HB3 ALA 3 HB3 ALA 3 -16.358 0.052 4.431 23 H LEU 4 H LEU 4 -15.184 -2.338 2.566 24 HA LEU 4 HA LEU 4 -12.465 -2.250 3.789 25 HB2 LEU 4 HB2 LEU 4 -14.648 -3.596 4.531 26 HB3 LEU 4 HB3 LEU 4 -14.040 -4.757 3.350 27 HG LEU 4 HG LEU 4 -11.764 -4.491 4.559 28 HD11 LEU 4 HD11 LEU 4 -12.056 -3.903 6.990 29 HD12 LEU 4 HD12 LEU 4 -13.682 -3.338 6.607 30 HD13 LEU 4 HD13 LEU 4 -12.279 -2.537 5.898 31 HD21 LEU 4 HD21 LEU 4 -12.419 -6.185 6.246 32 HD22 LEU 4 HD22 LEU 4 -13.153 -6.524 4.679 33 HD23 LEU 4 HD23 LEU 4 -14.117 -5.799 5.966 34 H VAL 5 H VAL 5 -13.708 -2.342 0.715 35 HA VAL 5 HA VAL 5 -11.694 -4.305 -0.308 36 HB VAL 5 HB VAL 5 -14.151 -3.009 -1.549 37 HG11 VAL 5 HG11 VAL 5 -12.334 -3.569 -3.191 38 HG12 VAL 5 HG12 VAL 5 -13.805 -4.509 -3.430 39 HG13 VAL 5 HG13 VAL 5 -12.410 -5.242 -2.638 40 HG21 VAL 5 HG21 VAL 5 -13.586 -5.760 -0.414 41 HG22 VAL 5 HG22 VAL 5 -14.964 -5.426 -1.462 42 HG23 VAL 5 HG23 VAL 5 -14.828 -4.618 0.099 43 H ASN 6 H ASN 6 -13.082 -1.116 -1.236 44 HA ASN 6 HA ASN 6 -10.959 -0.371 -3.011 45 HB2 ASN 6 HB2 ASN 6 -12.967 1.223 -1.382 46 HB3 ASN 6 HB3 ASN 6 -11.955 1.927 -2.644 47 HD21 ASN 6 HD21 ASN 6 -12.112 0.611 -4.849 48 HD22 ASN 6 HD22 ASN 6 -13.675 0.117 -5.291 49 H SER 7 H SER 7 -11.473 0.331 0.470 50 HA SER 7 HA SER 7 -9.241 2.055 0.884 51 HB2 SER 7 HB2 SER 7 -11.221 1.352 2.413 52 HB3 SER 7 HB3 SER 7 -10.217 -0.026 2.852 53 HG SER 7 HG SER 7 -10.125 2.236 3.993 54 H TYR 8 H TYR 8 -9.482 -1.507 1.191 55 HA TYR 8 HA TYR 8 -6.710 -1.963 1.838 56 HB2 TYR 8 HB2 TYR 8 -8.227 -3.689 2.362 57 HB3 TYR 8 HB3 TYR 8 -9.049 -3.566 0.808 58 HD1 TYR 8 HD1 TYR 8 -5.735 -4.471 2.308 59 HD2 TYR 8 HD2 TYR 8 -8.499 -5.043 -0.930 60 HE1 TYR 8 HE2 TYR 8 -4.296 -6.274 1.398 61 HE2 TYR 8 HE1 TYR 8 -7.060 -6.846 -1.840 62 HH TYR 8 HH TYR 8 -5.142 -8.520 -0.498 63 H LEU 9 H LEU 9 -8.530 -1.937 -1.232 64 HA LEU 9 HA LEU 9 -6.549 -2.869 -3.014 65 HB2 LEU 9 HB2 LEU 9 -9.058 -1.403 -3.043 66 HB3 LEU 9 HB3 LEU 9 -7.977 -0.793 -4.291 67 HG LEU 9 HG LEU 9 -9.484 -2.734 -4.976 68 HD11 LEU 9 HD11 LEU 9 -6.489 -3.164 -5.181 69 HD12 LEU 9 HD12 LEU 9 -7.430 -2.084 -6.209 70 HD13 LEU 9 HD13 LEU 9 -7.711 -3.824 -6.268 71 HD21 LEU 9 HD21 LEU 9 -7.495 -4.445 -3.484 72 HD22 LEU 9 HD22 LEU 9 -9.042 -4.916 -4.185 73 HD23 LEU 9 HD23 LEU 9 -9.001 -3.930 -2.724 74 H TRP 10 H TRP 10 -6.984 0.397 -1.649 75 HA TRP 10 HA TRP 10 -4.780 1.523 -3.241 76 HB2 TRP 10 HB2 TRP 10 -6.602 2.974 -2.724 77 HB3 TRP 10 HB3 TRP 10 -6.617 2.480 -1.032 78 HD1 TRP 10 HD1 TRP 10 -4.081 4.132 -3.461 79 HE1 TRP 10 HE1 TRP 10 -2.801 5.950 -2.157 80 HE3 TRP 10 HE3 TRP 10 -6.200 3.565 1.149 81 HZ2 TRP 10 HZ2 TRP 10 -2.692 7.024 0.492 82 HZ3 TRP 10 HZ3 TRP 10 -5.491 4.997 3.044 83 HH2 TRP 10 HH2 TRP 10 -3.741 6.725 2.722 84 H GLN 11 H GLN 11 -5.341 0.689 0.208 85 HA GLN 11 HA GLN 11 -2.771 1.454 1.186 86 HB2 GLN 11 HB2 GLN 11 -5.071 0.614 2.280 87 HB3 GLN 11 HB3 GLN 11 -4.199 -0.920 2.318 88 HG2 GLN 11 HG2 GLN 11 -2.531 1.312 3.200 89 HG3 GLN 11 HG3 GLN 11 -3.978 1.134 4.191 90 HE21 GLN 11 HE21 GLN 11 -4.428 -1.393 4.691 91 HE22 GLN 11 HE22 GLN 11 -3.058 -2.257 5.200 92 H ARG 12 H ARG 12 -3.936 -1.754 0.060 93 HA ARG 12 HA ARG 12 -1.558 -3.247 0.440 94 HB2 ARG 12 HB2 ARG 12 -3.941 -3.923 -0.318 95 HB3 ARG 12 HB3 ARG 12 -3.402 -3.511 -1.945 96 HG2 ARG 12 HG2 ARG 12 -1.473 -5.189 -0.517 97 HG3 ARG 12 HG3 ARG 12 -3.045 -5.968 -0.693 98 HD2 ARG 12 HD2 ARG 12 -2.561 -6.421 -2.858 99 HD3 ARG 12 HD3 ARG 12 -2.417 -4.681 -3.181 100 HE ARG 12 HE ARG 12 -0.102 -6.008 -1.877 101 HH11 ARG 12 HH11 ARG 12 -0.453 -6.858 -4.769 102 HH12 ARG 12 HH12 ARG 12 0.522 -5.688 -5.594 103 HH21 ARG 12 HH21 ARG 12 0.668 -3.516 -2.880 104 HH22 ARG 12 HH22 ARG 12 1.159 -3.788 -4.519 105 H TRP 13 H TRP 13 -2.538 -1.156 -2.266 106 HA TRP 13 HA TRP 13 -0.479 -1.685 -4.129 107 HB2 TRP 13 HB2 TRP 13 -2.596 0.127 -3.721 108 HB3 TRP 13 HB3 TRP 13 -1.169 1.139 -3.908 109 HD1 TRP 13 HD1 TRP 13 -3.564 0.786 -6.050 110 HE1 TRP 13 HE1 TRP 13 -2.947 0.098 -8.462 111 HE3 TRP 13 HE3 TRP 13 1.044 -1.240 -5.229 112 HZ2 TRP 13 HZ2 TRP 13 -0.777 -1.149 -9.852 113 HZ3 TRP 13 HZ3 TRP 13 2.365 -2.169 -7.107 114 HH2 TRP 13 HH2 TRP 13 1.463 -2.126 -9.415 115 H GLU 14 H GLU 14 -0.564 1.047 -1.822 116 HA GLU 14 HA GLU 14 2.227 1.714 -2.162 117 HB2 GLU 14 HB2 GLU 14 0.163 2.409 -0.048 118 HB3 GLU 14 HB3 GLU 14 1.702 3.243 -0.264 119 HG2 GLU 14 HG2 GLU 14 0.768 3.342 -2.808 120 HG3 GLU 14 HG3 GLU 14 -0.760 3.360 -1.925 121 H ASN 15 H ASN 15 0.465 -0.345 0.132 122 HA ASN 15 HA ASN 15 2.329 -0.647 2.215 123 HB2 ASN 15 HB2 ASN 15 -0.000 -1.672 1.863 124 HB3 ASN 15 HB3 ASN 15 0.801 -2.917 0.908 125 HD21 ASN 15 HD21 ASN 15 2.728 -4.025 2.124 126 HD22 ASN 15 HD22 ASN 15 2.503 -4.317 3.780 127 H TRP 16 H TRP 16 2.233 -2.390 -0.918 128 HA TRP 16 HA TRP 16 4.690 -3.876 -0.429 129 HB2 TRP 16 HB2 TRP 16 3.246 -4.883 -1.977 130 HB3 TRP 16 HB3 TRP 16 2.803 -3.344 -2.713 131 HD1 TRP 16 HD1 TRP 16 5.638 -5.931 -2.658 132 HE1 TRP 16 HE1 TRP 16 7.090 -5.607 -4.760 133 HE3 TRP 16 HE3 TRP 16 3.514 -1.689 -4.557 134 HZ2 TRP 16 HZ2 TRP 16 7.323 -3.795 -6.955 135 HZ3 TRP 16 HZ3 TRP 16 4.375 -0.687 -6.654 136 HH2 TRP 16 HH2 TRP 16 6.277 -1.735 -7.852 137 H PHE 17 H PHE 17 3.833 -0.959 -2.319 138 HA PHE 17 HA PHE 17 6.349 -0.388 -3.473 139 HB2 PHE 17 HB2 PHE 17 4.160 0.735 -3.922 140 HB3 PHE 17 HB3 PHE 17 4.276 1.533 -2.353 141 HD1 PHE 17 HD1 PHE 17 6.106 1.090 -5.586 142 HD2 PHE 17 HD2 PHE 17 5.467 3.553 -2.124 143 HE1 PHE 17 HE2 PHE 17 7.512 2.867 -6.590 144 HE2 PHE 17 HE1 PHE 17 6.874 5.329 -3.130 145 HZ PHE 17 HZ PHE 17 7.897 4.986 -5.362 146 H TRP 18 H TRP 18 5.057 0.591 -0.279 147 HA TRP 18 HA TRP 18 7.474 1.998 0.519 148 HB2 TRP 18 HB2 TRP 18 5.072 0.902 2.014 149 HB3 TRP 18 HB3 TRP 18 6.304 1.916 2.760 150 HD1 TRP 18 HD1 TRP 18 3.065 2.487 1.924 151 HE1 TRP 18 HE1 TRP 18 2.591 4.763 0.812 152 HE3 TRP 18 HE3 TRP 18 7.781 3.725 0.391 153 HZ2 TRP 18 HZ2 TRP 18 4.017 6.830 -0.546 154 HZ3 TRP 18 HZ3 TRP 18 8.191 5.854 -0.807 155 HH2 TRP 18 HH2 TRP 18 6.318 7.407 -1.277 156 H ASN 19 H ASN 19 6.129 -1.251 1.239 157 HA ASN 19 HA ASN 19 8.176 -2.075 3.062 158 HB2 ASN 19 HB2 ASN 19 5.891 -3.107 2.515 159 HB3 ASN 19 HB3 ASN 19 6.675 -3.845 1.120 160 HD21 ASN 19 HD21 ASN 19 6.126 -4.193 4.504 161 HD22 ASN 19 HD22 ASN 19 7.206 -5.475 4.772 162 H VAL 20 H VAL 20 8.002 -2.228 -0.497 163 HA VAL 20 HA VAL 20 10.514 -3.744 -0.708 164 HB VAL 20 HB VAL 20 8.693 -2.377 -2.720 165 HG11 VAL 20 HG11 VAL 20 9.855 -3.745 -4.407 166 HG12 VAL 20 HG12 VAL 20 10.944 -4.363 -3.165 167 HG13 VAL 20 HG13 VAL 20 10.986 -2.655 -3.605 168 HG21 VAL 20 HG21 VAL 20 7.380 -4.139 -2.114 169 HG22 VAL 20 HG22 VAL 20 8.717 -4.995 -1.348 170 HG23 VAL 20 HG23 VAL 20 8.495 -5.086 -3.095 171 H THR 21 H THR 21 9.470 -0.350 -1.148 172 HA THR 21 HA THR 21 12.078 0.519 -2.145 173 HB THR 21 HB THR 21 9.682 2.041 -1.074 174 HG1 THR 21 HG1 THR 21 8.898 1.241 -2.856 175 HG21 THR 21 HG21 THR 21 12.095 2.923 -2.677 176 HG22 THR 21 HG22 THR 21 11.629 3.474 -1.068 177 HG23 THR 21 HG23 THR 21 10.645 3.903 -2.467 178 H LEU 22 H LEU 22 10.357 0.752 0.967 179 HA LEU 22 HA LEU 22 12.648 2.092 2.251 180 HB2 LEU 22 HB2 LEU 22 10.042 1.019 3.378 181 HB3 LEU 22 HB3 LEU 22 11.142 2.124 4.196 182 HG LEU 22 HG LEU 22 10.043 2.861 1.495 183 HD11 LEU 22 HD11 LEU 22 8.017 3.634 2.355 184 HD12 LEU 22 HD12 LEU 22 8.619 3.678 4.011 185 HD13 LEU 22 HD13 LEU 22 8.225 2.134 3.256 186 HD21 LEU 22 HD21 LEU 22 11.833 4.219 2.525 187 HD22 LEU 22 HD22 LEU 22 10.837 4.443 3.963 188 HD23 LEU 22 HD23 LEU 22 10.328 5.134 2.423 189 H ARG 23 H ARG 23 11.297 -1.141 2.018 190 HA ARG 23 HA ARG 23 12.040 -3.218 2.846 191 HB2 ARG 23 HB2 ARG 23 14.116 -1.918 1.736 192 HB3 ARG 23 HB3 ARG 23 14.725 -2.021 3.388 193 HG2 ARG 23 HG2 ARG 23 14.078 -4.518 3.277 194 HG3 ARG 23 HG3 ARG 23 13.959 -4.277 1.533 195 HD2 ARG 23 HD2 ARG 23 16.374 -3.124 1.971 196 HD3 ARG 23 HD3 ARG 23 16.376 -4.337 3.267 197 HE ARG 23 HE ARG 23 16.261 -4.911 0.367 198 HH11 ARG 23 HH11 ARG 23 14.233 -6.647 1.673 199 HH12 ARG 23 HH12 ARG 23 15.163 -8.032 2.140 200 HH21 ARG 23 HH21 ARG 23 18.222 -6.411 1.814 201 HH22 ARG 23 HH22 ARG 23 17.431 -7.896 2.223 202 HA PRO 24 HA PRO 24 11.785 -1.588 7.202 203 HB2 PRO 24 HB2 PRO 24 9.417 -2.804 7.839 204 HB3 PRO 24 HB3 PRO 24 9.510 -1.195 7.097 205 HG2 PRO 24 HG2 PRO 24 8.894 -3.822 5.852 206 HG3 PRO 24 HG3 PRO 24 8.218 -2.222 5.510 207 HD2 PRO 24 HD2 PRO 24 10.119 -3.447 3.965 208 HD3 PRO 24 HD3 PRO 24 9.891 -1.687 4.057 209 H GLU 25 H GLU 25 12.273 -2.835 9.072 210 HA GLU 25 HA GLU 25 13.015 -5.669 8.540 211 HB2 GLU 25 HB2 GLU 25 13.653 -3.664 10.730 212 HB3 GLU 25 HB3 GLU 25 14.255 -5.322 10.722 213 HG2 GLU 25 HG2 GLU 25 15.348 -4.921 8.545 214 HG3 GLU 25 HG3 GLU 25 14.747 -3.264 8.546 215 H ARG 26 H ARG 26 11.342 -3.769 11.095 216 HA ARG 26 HA ARG 26 9.593 -6.140 11.605 217 HB2 ARG 26 HB2 ARG 26 11.747 -5.453 13.169 218 HB3 ARG 26 HB3 ARG 26 10.439 -4.584 13.972 219 HG2 ARG 26 HG2 ARG 26 10.024 -7.448 13.170 220 HG3 ARG 26 HG3 ARG 26 10.943 -7.085 14.631 221 HD2 ARG 26 HD2 ARG 26 9.091 -6.344 15.767 222 HD3 ARG 26 HD3 ARG 26 8.382 -5.598 14.321 223 HE ARG 26 HE ARG 26 8.438 -8.576 14.664 224 HH11 ARG 26 HH11 ARG 26 7.382 -6.616 12.351 225 HH12 ARG 26 HH12 ARG 26 5.684 -6.903 12.533 226 HH21 ARG 26 HH21 ARG 26 6.016 -8.514 15.596 227 HH22 ARG 26 HH22 ARG 26 4.908 -7.979 14.377 Start of MODEL 13 1 HA ARG 1 HA ARG 1 -14.494 2.063 -5.593 2 HB2 ARG 1 HB2 ARG 1 -13.621 4.145 -4.547 3 HB3 ARG 1 HB3 ARG 1 -13.693 4.279 -6.303 4 HG2 ARG 1 HG2 ARG 1 -15.531 5.730 -6.249 5 HG3 ARG 1 HG3 ARG 1 -16.029 5.200 -4.643 6 HD2 ARG 1 HD2 ARG 1 -15.057 7.258 -4.120 7 HD3 ARG 1 HD3 ARG 1 -13.639 6.201 -3.966 8 HE ARG 1 HE ARG 1 -13.221 6.766 -6.445 9 HH11 ARG 1 HH11 ARG 1 -15.661 8.491 -6.762 10 HH12 ARG 1 HH12 ARG 1 -15.012 10.081 -6.550 11 HH21 ARG 1 HH21 ARG 1 -12.059 8.963 -5.094 12 HH22 ARG 1 HH22 ARG 1 -12.963 10.350 -5.601 13 H SER 2 H SER 2 -14.449 1.949 -3.191 14 HA SER 2 HA SER 2 -17.127 2.484 -1.940 15 HB2 SER 2 HB2 SER 2 -15.833 0.031 -2.530 16 HB3 SER 2 HB3 SER 2 -15.732 0.237 -0.783 17 HG SER 2 HG SER 2 -17.683 -0.741 -1.300 18 H ALA 3 H ALA 3 -16.904 2.372 0.556 19 HA ALA 3 HA ALA 3 -14.640 4.109 1.355 20 HB1 ALA 3 HB1 ALA 3 -16.023 4.447 3.348 21 HB2 ALA 3 HB2 ALA 3 -17.076 3.115 2.872 22 HB3 ALA 3 HB3 ALA 3 -17.029 4.593 1.908 23 H LEU 4 H LEU 4 -16.044 0.939 2.263 24 HA LEU 4 HA LEU 4 -13.670 0.415 4.000 25 HB2 LEU 4 HB2 LEU 4 -16.501 -0.136 4.064 26 HB3 LEU 4 HB3 LEU 4 -15.609 -1.656 4.143 27 HG LEU 4 HG LEU 4 -14.361 0.361 5.819 28 HD11 LEU 4 HD11 LEU 4 -17.259 -0.332 6.388 29 HD12 LEU 4 HD12 LEU 4 -16.636 1.271 5.996 30 HD13 LEU 4 HD13 LEU 4 -16.173 0.490 7.508 31 HD21 LEU 4 HD21 LEU 4 -15.755 -2.178 6.683 32 HD22 LEU 4 HD22 LEU 4 -14.327 -1.419 7.387 33 HD23 LEU 4 HD23 LEU 4 -14.217 -2.221 5.820 34 H VAL 5 H VAL 5 -14.117 0.085 0.844 35 HA VAL 5 HA VAL 5 -13.003 -2.703 0.728 36 HB VAL 5 HB VAL 5 -14.647 -1.197 -1.340 37 HG11 VAL 5 HG11 VAL 5 -14.836 -3.462 -2.377 38 HG12 VAL 5 HG12 VAL 5 -13.699 -4.073 -1.174 39 HG13 VAL 5 HG13 VAL 5 -13.177 -2.863 -2.347 40 HG21 VAL 5 HG21 VAL 5 -16.410 -2.905 -0.702 41 HG22 VAL 5 HG22 VAL 5 -16.076 -1.701 0.542 42 HG23 VAL 5 HG23 VAL 5 -15.404 -3.326 0.684 43 H ASN 6 H ASN 6 -13.041 0.462 -0.973 44 HA ASN 6 HA ASN 6 -10.719 -0.026 -2.593 45 HB2 ASN 6 HB2 ASN 6 -12.546 2.145 -1.891 46 HB3 ASN 6 HB3 ASN 6 -10.899 2.726 -2.135 47 HD21 ASN 6 HD21 ASN 6 -10.039 2.678 -4.283 48 HD22 ASN 6 HD22 ASN 6 -10.944 2.170 -5.626 49 H SER 7 H SER 7 -11.095 1.186 0.727 50 HA SER 7 HA SER 7 -8.558 2.348 1.175 51 HB2 SER 7 HB2 SER 7 -10.623 2.158 2.689 52 HB3 SER 7 HB3 SER 7 -10.047 0.547 3.106 53 HG SER 7 HG SER 7 -9.014 3.058 3.738 54 H TYR 8 H TYR 8 -9.530 -1.086 1.480 55 HA TYR 8 HA TYR 8 -6.874 -2.049 2.150 56 HB2 TYR 8 HB2 TYR 8 -8.752 -3.356 2.811 57 HB3 TYR 8 HB3 TYR 8 -9.486 -3.256 1.211 58 HD1 TYR 8 HD1 TYR 8 -6.345 -4.477 2.866 59 HD2 TYR 8 HD2 TYR 8 -9.242 -5.055 -0.251 60 HE1 TYR 8 HE1 TYR 8 -5.213 -6.581 2.204 61 HE2 TYR 8 HE2 TYR 8 -8.113 -7.160 -0.910 62 HH TYR 8 HH TYR 8 -6.328 -8.891 0.761 63 H LEU 9 H LEU 9 -8.772 -1.814 -0.867 64 HA LEU 9 HA LEU 9 -6.958 -3.187 -2.596 65 HB2 LEU 9 HB2 LEU 9 -9.252 -1.325 -2.763 66 HB3 LEU 9 HB3 LEU 9 -8.184 -1.289 -4.163 67 HG LEU 9 HG LEU 9 -9.988 -2.960 -4.447 68 HD11 LEU 9 HD11 LEU 9 -7.430 -4.489 -3.996 69 HD12 LEU 9 HD12 LEU 9 -7.540 -3.274 -5.269 70 HD13 LEU 9 HD13 LEU 9 -8.613 -4.673 -5.291 71 HD21 LEU 9 HD21 LEU 9 -10.068 -4.936 -3.002 72 HD22 LEU 9 HD22 LEU 9 -10.261 -3.481 -2.026 73 HD23 LEU 9 HD23 LEU 9 -8.713 -4.323 -2.055 74 H TRP 10 H TRP 10 -7.275 0.311 -1.871 75 HA TRP 10 HA TRP 10 -5.020 1.147 -3.459 76 HB2 TRP 10 HB2 TRP 10 -6.567 2.820 -2.876 77 HB3 TRP 10 HB3 TRP 10 -6.689 2.261 -1.209 78 HD1 TRP 10 HD1 TRP 10 -4.118 3.960 -3.546 79 HE1 TRP 10 HE1 TRP 10 -2.607 5.477 -2.109 80 HE3 TRP 10 HE3 TRP 10 -5.936 2.867 1.099 81 HZ2 TRP 10 HZ2 TRP 10 -2.225 6.140 0.645 82 HZ3 TRP 10 HZ3 TRP 10 -4.980 3.953 3.110 83 HH2 TRP 10 HH2 TRP 10 -3.128 5.587 2.890 84 H GLN 11 H GLN 11 -5.377 0.207 -0.030 85 HA GLN 11 HA GLN 11 -2.742 0.856 0.858 86 HB2 GLN 11 HB2 GLN 11 -5.003 -0.904 1.677 87 HB3 GLN 11 HB3 GLN 11 -3.432 -1.280 2.382 88 HG2 GLN 11 HG2 GLN 11 -4.278 1.584 2.348 89 HG3 GLN 11 HG3 GLN 11 -5.070 0.511 3.502 90 HE21 GLN 11 HE21 GLN 11 -3.660 -0.607 5.104 91 HE22 GLN 11 HE22 GLN 11 -2.132 0.031 5.477 92 H ARG 12 H ARG 12 -4.045 -2.162 -0.573 93 HA ARG 12 HA ARG 12 -1.737 -3.798 -0.362 94 HB2 ARG 12 HB2 ARG 12 -4.133 -3.583 -2.145 95 HB3 ARG 12 HB3 ARG 12 -2.846 -4.690 -2.625 96 HG2 ARG 12 HG2 ARG 12 -3.839 -4.748 0.209 97 HG3 ARG 12 HG3 ARG 12 -4.793 -5.533 -1.050 98 HD2 ARG 12 HD2 ARG 12 -2.038 -6.262 -1.437 99 HD3 ARG 12 HD3 ARG 12 -2.475 -6.563 0.258 100 HE ARG 12 HE ARG 12 -4.469 -7.835 -0.616 101 HH11 ARG 12 HH11 ARG 12 -4.332 -6.989 -3.471 102 HH12 ARG 12 HH12 ARG 12 -3.559 -8.341 -4.226 103 HH21 ARG 12 HH21 ARG 12 -2.374 -9.664 -1.238 104 HH22 ARG 12 HH22 ARG 12 -2.446 -9.864 -2.956 105 H TRP 13 H TRP 13 -2.382 -1.103 -2.526 106 HA TRP 13 HA TRP 13 -0.326 -1.783 -4.484 107 HB2 TRP 13 HB2 TRP 13 -2.524 -0.116 -4.311 108 HB3 TRP 13 HB3 TRP 13 -1.187 1.024 -4.192 109 HD1 TRP 13 HD1 TRP 13 -3.071 0.916 -6.710 110 HE1 TRP 13 HE1 TRP 13 -2.078 0.411 -9.037 111 HE3 TRP 13 HE3 TRP 13 1.269 -1.397 -5.337 112 HZ2 TRP 13 HZ2 TRP 13 0.249 -0.810 -10.163 113 HZ3 TRP 13 HZ3 TRP 13 2.852 -2.219 -7.054 114 HH2 TRP 13 HH2 TRP 13 2.351 -1.928 -9.463 115 H GLU 14 H GLU 14 -0.596 0.928 -2.157 116 HA GLU 14 HA GLU 14 2.199 1.640 -2.348 117 HB2 GLU 14 HB2 GLU 14 -0.011 2.308 -0.383 118 HB3 GLU 14 HB3 GLU 14 1.545 3.135 -0.443 119 HG2 GLU 14 HG2 GLU 14 0.851 3.282 -3.058 120 HG3 GLU 14 HG3 GLU 14 -0.752 3.291 -2.322 121 H ASN 15 H ASN 15 0.390 -0.518 -0.187 122 HA ASN 15 HA ASN 15 2.173 -0.727 1.997 123 HB2 ASN 15 HB2 ASN 15 0.082 -1.863 2.085 124 HB3 ASN 15 HB3 ASN 15 0.373 -2.687 0.555 125 HD21 ASN 15 HD21 ASN 15 2.579 -2.395 3.403 126 HD22 ASN 15 HD22 ASN 15 2.706 -4.068 3.654 127 H TRP 16 H TRP 16 2.198 -2.652 -1.042 128 HA TRP 16 HA TRP 16 4.663 -4.034 -0.477 129 HB2 TRP 16 HB2 TRP 16 3.331 -5.006 -2.147 130 HB3 TRP 16 HB3 TRP 16 2.941 -3.450 -2.878 131 HD1 TRP 16 HD1 TRP 16 5.808 -5.995 -2.624 132 HE1 TRP 16 HE1 TRP 16 7.407 -5.633 -4.612 133 HE3 TRP 16 HE3 TRP 16 3.738 -1.795 -4.666 134 HZ2 TRP 16 HZ2 TRP 16 7.764 -3.803 -6.777 135 HZ3 TRP 16 HZ3 TRP 16 4.732 -0.763 -6.689 136 HH2 TRP 16 HH2 TRP 16 6.739 -1.762 -7.747 137 H PHE 17 H PHE 17 3.906 -1.067 -2.322 138 HA PHE 17 HA PHE 17 6.483 -0.446 -3.306 139 HB2 PHE 17 HB2 PHE 17 4.264 0.649 -3.816 140 HB3 PHE 17 HB3 PHE 17 4.368 1.467 -2.257 141 HD1 PHE 17 HD1 PHE 17 6.432 0.879 -5.341 142 HD2 PHE 17 HD2 PHE 17 5.370 3.571 -2.164 143 HE1 PHE 17 HE2 PHE 17 7.854 2.639 -6.356 144 HE2 PHE 17 HE1 PHE 17 6.792 5.330 -3.181 145 HZ PHE 17 HZ PHE 17 8.033 4.864 -5.277 146 H TRP 18 H TRP 18 4.970 0.892 -0.327 147 HA TRP 18 HA TRP 18 7.344 2.097 0.706 148 HB2 TRP 18 HB2 TRP 18 4.881 0.987 2.090 149 HB3 TRP 18 HB3 TRP 18 6.041 2.080 2.840 150 HD1 TRP 18 HD1 TRP 18 2.818 2.488 1.823 151 HE1 TRP 18 HE1 TRP 18 2.321 4.696 0.587 152 HE3 TRP 18 HE3 TRP 18 7.560 3.839 0.485 153 HZ2 TRP 18 HZ2 TRP 18 3.746 6.756 -0.785 154 HZ3 TRP 18 HZ3 TRP 18 7.959 5.928 -0.784 155 HH2 TRP 18 HH2 TRP 18 6.059 7.388 -1.420 156 H ASN 19 H ASN 19 6.088 -1.221 0.993 157 HA ASN 19 HA ASN 19 7.723 -2.185 3.107 158 HB2 ASN 19 HB2 ASN 19 5.965 -3.190 1.105 159 HB3 ASN 19 HB3 ASN 19 7.443 -4.142 1.005 160 HD21 ASN 19 HD21 ASN 19 8.304 -4.723 3.415 161 HD22 ASN 19 HD22 ASN 19 7.100 -5.309 4.458 162 H VAL 20 H VAL 20 8.451 -1.861 -0.383 163 HA VAL 20 HA VAL 20 11.220 -2.844 0.090 164 HB VAL 20 HB VAL 20 11.334 -2.752 -2.408 165 HG11 VAL 20 HG11 VAL 20 9.752 -4.575 -2.805 166 HG12 VAL 20 HG12 VAL 20 8.862 -4.149 -1.344 167 HG13 VAL 20 HG13 VAL 20 10.507 -4.773 -1.223 168 HG21 VAL 20 HG21 VAL 20 9.660 -0.825 -2.572 169 HG22 VAL 20 HG22 VAL 20 8.396 -2.025 -2.310 170 HG23 VAL 20 HG23 VAL 20 9.435 -2.137 -3.728 171 H THR 21 H THR 21 9.471 0.143 -0.645 172 HA THR 21 HA THR 21 11.761 1.722 -1.421 173 HB THR 21 HB THR 21 9.090 2.486 -0.189 174 HG1 THR 21 HG1 THR 21 9.950 2.272 -2.886 175 HG21 THR 21 HG21 THR 21 11.072 4.130 -1.788 176 HG22 THR 21 HG22 THR 21 10.743 4.308 -0.065 177 HG23 THR 21 HG23 THR 21 9.488 4.680 -1.246 178 H LEU 22 H LEU 22 10.103 1.197 1.688 179 HA LEU 22 HA LEU 22 11.930 2.955 3.156 180 HB2 LEU 22 HB2 LEU 22 9.774 0.979 3.956 181 HB3 LEU 22 HB3 LEU 22 10.629 2.002 5.109 182 HG LEU 22 HG LEU 22 9.129 3.097 2.712 183 HD11 LEU 22 HD11 LEU 22 7.363 3.705 4.349 184 HD12 LEU 22 HD12 LEU 22 8.227 2.806 5.596 185 HD13 LEU 22 HD13 LEU 22 7.550 1.957 4.205 186 HD21 LEU 22 HD21 LEU 22 10.509 4.257 5.127 187 HD22 LEU 22 HD22 LEU 22 9.196 5.139 4.348 188 HD23 LEU 22 HD23 LEU 22 10.649 4.737 3.435 189 H ARG 23 H ARG 23 11.178 -0.492 3.723 190 HA ARG 23 HA ARG 23 14.051 -1.187 3.714 191 HB2 ARG 23 HB2 ARG 23 12.946 -0.210 6.017 192 HB3 ARG 23 HB3 ARG 23 12.635 -1.935 6.213 193 HG2 ARG 23 HG2 ARG 23 14.759 -2.001 7.023 194 HG3 ARG 23 HG3 ARG 23 15.224 -1.964 5.323 195 HD2 ARG 23 HD2 ARG 23 14.707 0.736 6.160 196 HD3 ARG 23 HD3 ARG 23 15.814 -0.015 7.325 197 HE ARG 23 HE ARG 23 16.884 -0.857 4.964 198 HH11 ARG 23 HH11 ARG 23 15.328 1.623 3.901 199 HH12 ARG 23 HH12 ARG 23 16.610 2.789 3.864 200 HH21 ARG 23 HH21 ARG 23 18.744 0.896 5.852 201 HH22 ARG 23 HH22 ARG 23 18.553 2.375 4.972 202 HA PRO 24 HA PRO 24 11.424 -4.622 2.259 203 HB2 PRO 24 HB2 PRO 24 13.300 -5.641 0.544 204 HB3 PRO 24 HB3 PRO 24 12.216 -4.304 0.112 205 HG2 PRO 24 HG2 PRO 24 15.068 -4.233 0.953 206 HG3 PRO 24 HG3 PRO 24 14.220 -3.250 -0.251 207 HD2 PRO 24 HD2 PRO 24 14.840 -2.372 2.260 208 HD3 PRO 24 HD3 PRO 24 13.477 -1.753 1.305 209 H GLU 25 H GLU 25 11.334 -6.458 3.486 210 HA GLU 25 HA GLU 25 13.769 -7.392 4.912 211 HB2 GLU 25 HB2 GLU 25 11.378 -6.931 5.866 212 HB3 GLU 25 HB3 GLU 25 10.970 -8.495 5.161 213 HG2 GLU 25 HG2 GLU 25 13.374 -8.167 6.957 214 HG3 GLU 25 HG3 GLU 25 11.769 -8.473 7.620 215 H ARG 26 H ARG 26 11.069 -8.972 3.129 216 HA ARG 26 HA ARG 26 13.062 -10.897 1.987 217 HB2 ARG 26 HB2 ARG 26 11.228 -11.417 4.004 218 HB3 ARG 26 HB3 ARG 26 10.388 -11.972 2.558 219 HG2 ARG 26 HG2 ARG 26 11.597 -13.878 3.100 220 HG3 ARG 26 HG3 ARG 26 12.729 -13.079 2.008 221 HD2 ARG 26 HD2 ARG 26 13.814 -12.011 4.026 222 HD3 ARG 26 HD3 ARG 26 12.782 -13.032 5.046 223 HE ARG 26 HE ARG 26 15.007 -13.975 3.360 224 HH11 ARG 26 HH11 ARG 26 14.187 -14.833 6.209 225 HH12 ARG 26 HH12 ARG 26 13.645 -16.449 5.911 226 HH21 ARG 26 HH21 ARG 26 13.415 -16.015 2.467 227 HH22 ARG 26 HH22 ARG 26 13.208 -17.124 3.782 Start of MODEL 14 1 HA ARG 1 HA ARG 1 -18.757 0.643 -6.125 2 HB2 ARG 1 HB2 ARG 1 -20.087 -1.846 -7.137 3 HB3 ARG 1 HB3 ARG 1 -20.807 -1.032 -5.749 4 HG2 ARG 1 HG2 ARG 1 -21.629 0.618 -7.046 5 HG3 ARG 1 HG3 ARG 1 -20.057 0.886 -7.801 6 HD2 ARG 1 HD2 ARG 1 -21.438 0.198 -9.609 7 HD3 ARG 1 HD3 ARG 1 -20.595 -1.294 -9.149 8 HE ARG 1 HE ARG 1 -23.278 -0.642 -7.991 9 HH11 ARG 1 HH11 ARG 1 -22.054 -3.129 -7.051 10 HH12 ARG 1 HH12 ARG 1 -22.664 -4.321 -8.149 11 HH21 ARG 1 HH21 ARG 1 -23.649 -1.994 -10.538 12 HH22 ARG 1 HH22 ARG 1 -23.570 -3.676 -10.131 13 H SER 2 H SER 2 -16.856 0.183 -4.610 14 HA SER 2 HA SER 2 -17.776 -1.577 -2.378 15 HB2 SER 2 HB2 SER 2 -15.401 -1.848 -4.116 16 HB3 SER 2 HB3 SER 2 -15.065 -1.971 -2.393 17 HG SER 2 HG SER 2 -15.643 -3.989 -3.359 18 H ALA 3 H ALA 3 -17.212 -0.762 -0.335 19 HA ALA 3 HA ALA 3 -15.992 1.967 -0.311 20 HB1 ALA 3 HB1 ALA 3 -17.671 0.449 1.712 21 HB2 ALA 3 HB2 ALA 3 -18.281 1.645 0.568 22 HB3 ALA 3 HB3 ALA 3 -17.178 2.136 1.855 23 H LEU 4 H LEU 4 -15.860 -1.163 1.441 24 HA LEU 4 HA LEU 4 -13.449 -0.308 2.922 25 HB2 LEU 4 HB2 LEU 4 -15.430 -2.537 2.956 26 HB3 LEU 4 HB3 LEU 4 -13.830 -2.881 3.612 27 HG LEU 4 HG LEU 4 -15.155 -0.336 4.449 28 HD11 LEU 4 HD11 LEU 4 -16.948 -2.029 4.647 29 HD12 LEU 4 HD12 LEU 4 -16.381 -1.509 6.234 30 HD13 LEU 4 HD13 LEU 4 -15.862 -3.063 5.578 31 HD21 LEU 4 HD21 LEU 4 -13.926 -0.768 6.494 32 HD22 LEU 4 HD22 LEU 4 -12.833 -1.043 5.138 33 HD23 LEU 4 HD23 LEU 4 -13.559 -2.413 5.979 34 H VAL 5 H VAL 5 -14.328 -2.591 0.355 35 HA VAL 5 HA VAL 5 -11.873 -4.009 0.121 36 HB VAL 5 HB VAL 5 -13.939 -3.168 -1.939 37 HG11 VAL 5 HG11 VAL 5 -11.600 -5.062 -2.084 38 HG12 VAL 5 HG12 VAL 5 -12.091 -3.828 -3.243 39 HG13 VAL 5 HG13 VAL 5 -13.028 -5.313 -3.087 40 HG21 VAL 5 HG21 VAL 5 -14.801 -5.466 -1.570 41 HG22 VAL 5 HG22 VAL 5 -14.835 -4.517 -0.084 42 HG23 VAL 5 HG23 VAL 5 -13.568 -5.718 -0.335 43 H ASN 6 H ASN 6 -12.898 -0.920 -1.365 44 HA ASN 6 HA ASN 6 -10.580 -0.494 -2.994 45 HB2 ASN 6 HB2 ASN 6 -12.915 0.981 -1.987 46 HB3 ASN 6 HB3 ASN 6 -11.505 2.012 -2.233 47 HD21 ASN 6 HD21 ASN 6 -14.117 0.521 -3.851 48 HD22 ASN 6 HD22 ASN 6 -13.550 0.714 -5.439 49 H SER 7 H SER 7 -11.267 0.316 0.419 50 HA SER 7 HA SER 7 -8.986 1.944 0.950 51 HB2 SER 7 HB2 SER 7 -10.465 -0.051 2.702 52 HB3 SER 7 HB3 SER 7 -9.409 1.225 3.298 53 HG SER 7 HG SER 7 -10.925 2.648 2.916 54 H TYR 8 H TYR 8 -9.421 -1.596 1.333 55 HA TYR 8 HA TYR 8 -6.704 -2.164 2.094 56 HB2 TYR 8 HB2 TYR 8 -8.354 -3.797 2.567 57 HB3 TYR 8 HB3 TYR 8 -9.038 -3.701 0.946 58 HD1 TYR 8 HD1 TYR 8 -5.812 -4.561 2.665 59 HD2 TYR 8 HD2 TYR 8 -8.478 -5.345 -0.610 60 HE1 TYR 8 HE2 TYR 8 -4.359 -6.430 1.929 61 HE2 TYR 8 HE1 TYR 8 -7.025 -7.214 -1.346 62 HH TYR 8 HH TYR 8 -4.287 -7.678 -0.930 63 H LEU 9 H LEU 9 -8.399 -2.286 -1.063 64 HA LEU 9 HA LEU 9 -6.230 -3.181 -2.675 65 HB2 LEU 9 HB2 LEU 9 -8.854 -1.901 -2.960 66 HB3 LEU 9 HB3 LEU 9 -7.735 -1.415 -4.230 67 HG LEU 9 HG LEU 9 -9.033 -3.452 -4.837 68 HD11 LEU 9 HD11 LEU 9 -7.174 -4.680 -5.706 69 HD12 LEU 9 HD12 LEU 9 -6.120 -4.141 -4.399 70 HD13 LEU 9 HD13 LEU 9 -6.655 -2.996 -5.630 71 HD21 LEU 9 HD21 LEU 9 -8.984 -4.235 -2.343 72 HD22 LEU 9 HD22 LEU 9 -7.431 -4.951 -2.772 73 HD23 LEU 9 HD23 LEU 9 -8.896 -5.454 -3.614 74 H TRP 10 H TRP 10 -7.215 0.135 -1.767 75 HA TRP 10 HA TRP 10 -5.135 1.496 -3.235 76 HB2 TRP 10 HB2 TRP 10 -7.115 2.671 -2.550 77 HB3 TRP 10 HB3 TRP 10 -6.916 2.165 -0.874 78 HD1 TRP 10 HD1 TRP 10 -4.695 4.056 -3.436 79 HE1 TRP 10 HE1 TRP 10 -3.621 6.063 -2.226 80 HE3 TRP 10 HE3 TRP 10 -6.669 3.427 1.232 81 HZ2 TRP 10 HZ2 TRP 10 -3.606 7.248 0.378 82 HZ3 TRP 10 HZ3 TRP 10 -6.108 5.009 3.056 83 HH2 TRP 10 HH2 TRP 10 -4.582 6.916 2.636 84 H GLN 11 H GLN 11 -5.418 0.383 0.156 85 HA GLN 11 HA GLN 11 -2.896 1.411 1.072 86 HB2 GLN 11 HB2 GLN 11 -4.755 -0.823 1.921 87 HB3 GLN 11 HB3 GLN 11 -3.283 -0.455 2.820 88 HG2 GLN 11 HG2 GLN 11 -5.302 1.691 2.157 89 HG3 GLN 11 HG3 GLN 11 -5.454 0.696 3.604 90 HE21 GLN 11 HE21 GLN 11 -3.455 3.178 2.038 91 HE22 GLN 11 HE22 GLN 11 -2.544 3.558 3.418 92 H ARG 12 H ARG 12 -3.813 -1.889 -0.033 93 HA ARG 12 HA ARG 12 -1.295 -3.148 0.150 94 HB2 ARG 12 HB2 ARG 12 -3.688 -3.967 -0.526 95 HB3 ARG 12 HB3 ARG 12 -3.183 -3.567 -2.167 96 HG2 ARG 12 HG2 ARG 12 -1.407 -5.254 -0.419 97 HG3 ARG 12 HG3 ARG 12 -2.768 -5.990 -1.266 98 HD2 ARG 12 HD2 ARG 12 -1.799 -4.726 -3.365 99 HD3 ARG 12 HD3 ARG 12 -0.299 -4.712 -2.418 100 HE ARG 12 HE ARG 12 -1.489 -7.331 -2.320 101 HH11 ARG 12 HH11 ARG 12 -1.665 -6.776 -5.248 102 HH12 ARG 12 HH12 ARG 12 -0.114 -7.293 -5.818 103 HH21 ARG 12 HH21 ARG 12 1.336 -7.301 -2.660 104 HH22 ARG 12 HH22 ARG 12 1.592 -7.593 -4.348 105 H TRP 13 H TRP 13 -2.549 -0.985 -2.371 106 HA TRP 13 HA TRP 13 -0.544 -1.360 -4.364 107 HB2 TRP 13 HB2 TRP 13 -2.796 0.266 -3.834 108 HB3 TRP 13 HB3 TRP 13 -1.465 1.383 -4.122 109 HD1 TRP 13 HD1 TRP 13 -3.966 0.763 -6.100 110 HE1 TRP 13 HE1 TRP 13 -3.437 0.095 -8.536 111 HE3 TRP 13 HE3 TRP 13 0.865 -0.781 -5.552 112 HZ2 TRP 13 HZ2 TRP 13 -1.244 -0.952 -10.050 113 HZ3 TRP 13 HZ3 TRP 13 2.152 -1.605 -7.502 114 HH2 TRP 13 HH2 TRP 13 1.106 -1.692 -9.748 115 H GLU 14 H GLU 14 -0.776 1.214 -1.890 116 HA GLU 14 HA GLU 14 1.931 2.175 -2.405 117 HB2 GLU 14 HB2 GLU 14 -0.116 2.746 -0.238 118 HB3 GLU 14 HB3 GLU 14 1.329 3.713 -0.546 119 HG2 GLU 14 HG2 GLU 14 0.383 3.771 -3.018 120 HG3 GLU 14 HG3 GLU 14 -1.148 3.421 -2.217 121 H ASN 15 H ASN 15 0.374 0.337 0.259 122 HA ASN 15 HA ASN 15 2.567 0.215 2.047 123 HB2 ASN 15 HB2 ASN 15 0.021 -0.757 1.941 124 HB3 ASN 15 HB3 ASN 15 0.941 -2.244 1.711 125 HD21 ASN 15 HD21 ASN 15 2.996 -2.269 3.365 126 HD22 ASN 15 HD22 ASN 15 2.586 -1.884 4.966 127 H TRP 16 H TRP 16 1.861 -1.812 -0.813 128 HA TRP 16 HA TRP 16 3.968 -3.726 -0.430 129 HB2 TRP 16 HB2 TRP 16 2.313 -4.289 -2.012 130 HB3 TRP 16 HB3 TRP 16 2.337 -2.685 -2.744 131 HD1 TRP 16 HD1 TRP 16 4.575 -5.819 -2.456 132 HE1 TRP 16 HE1 TRP 16 6.065 -5.944 -4.554 133 HE3 TRP 16 HE3 TRP 16 3.243 -1.451 -4.742 134 HZ2 TRP 16 HZ2 TRP 16 6.621 -4.396 -6.890 135 HZ3 TRP 16 HZ3 TRP 16 4.271 -0.801 -6.902 136 HH2 TRP 16 HH2 TRP 16 5.956 -2.267 -7.978 137 H PHE 17 H PHE 17 3.848 -0.707 -2.370 138 HA PHE 17 HA PHE 17 6.500 -0.730 -3.368 139 HB2 PHE 17 HB2 PHE 17 4.899 0.836 -4.204 140 HB3 PHE 17 HB3 PHE 17 4.539 1.445 -2.590 141 HD1 PHE 17 HD1 PHE 17 7.325 1.164 -5.078 142 HD2 PHE 17 HD2 PHE 17 5.673 3.328 -1.755 143 HE1 PHE 17 HE1 PHE 17 9.075 2.903 -5.338 144 HE2 PHE 17 HE2 PHE 17 7.421 5.066 -2.017 145 HZ PHE 17 HZ PHE 17 9.122 4.853 -3.806 146 H TRP 18 H TRP 18 5.256 0.832 -0.386 147 HA TRP 18 HA TRP 18 7.789 1.747 0.585 148 HB2 TRP 18 HB2 TRP 18 5.129 1.069 1.859 149 HB3 TRP 18 HB3 TRP 18 6.458 1.766 2.782 150 HD1 TRP 18 HD1 TRP 18 3.489 2.893 1.203 151 HE1 TRP 18 HE1 TRP 18 3.659 5.326 0.368 152 HE3 TRP 18 HE3 TRP 18 8.557 3.522 1.326 153 HZ2 TRP 18 HZ2 TRP 18 5.675 7.280 -0.175 154 HZ3 TRP 18 HZ3 TRP 18 9.574 5.675 0.644 155 HH2 TRP 18 HH2 TRP 18 8.141 7.554 -0.105 156 H ASN 19 H ASN 19 6.130 -1.376 0.909 157 HA ASN 19 HA ASN 19 7.727 -2.478 3.024 158 HB2 ASN 19 HB2 ASN 19 5.834 -3.378 0.937 159 HB3 ASN 19 HB3 ASN 19 6.975 -4.614 1.462 160 HD21 ASN 19 HD21 ASN 19 5.362 -5.831 2.667 161 HD22 ASN 19 HD22 ASN 19 4.676 -5.230 4.098 162 H VAL 20 H VAL 20 8.142 -2.544 -0.536 163 HA VAL 20 HA VAL 20 10.694 -4.026 -0.264 164 HB VAL 20 HB VAL 20 10.614 -3.963 -2.755 165 HG11 VAL 20 HG11 VAL 20 9.342 -5.662 -1.346 166 HG12 VAL 20 HG12 VAL 20 8.748 -5.439 -2.991 167 HG13 VAL 20 HG13 VAL 20 7.898 -4.693 -1.639 168 HG21 VAL 20 HG21 VAL 20 7.907 -2.657 -2.562 169 HG22 VAL 20 HG22 VAL 20 8.971 -2.802 -3.959 170 HG23 VAL 20 HG23 VAL 20 9.358 -1.660 -2.672 171 H THR 21 H THR 21 9.677 -0.726 -0.383 172 HA THR 21 HA THR 21 12.251 0.250 -1.480 173 HB THR 21 HB THR 21 9.719 1.613 -0.508 174 HG1 THR 21 HG1 THR 21 9.182 0.794 -2.392 175 HG21 THR 21 HG21 THR 21 10.673 3.611 -1.702 176 HG22 THR 21 HG22 THR 21 12.196 2.735 -1.843 177 HG23 THR 21 HG23 THR 21 11.565 3.156 -0.250 178 H LEU 22 H LEU 22 10.488 0.141 1.598 179 HA LEU 22 HA LEU 22 12.640 1.638 2.979 180 HB2 LEU 22 HB2 LEU 22 10.015 0.431 3.911 181 HB3 LEU 22 HB3 LEU 22 11.061 1.445 4.901 182 HG LEU 22 HG LEU 22 10.033 2.397 2.226 183 HD11 LEU 22 HD11 LEU 22 8.145 1.697 3.780 184 HD12 LEU 22 HD12 LEU 22 8.134 3.393 3.302 185 HD13 LEU 22 HD13 LEU 22 8.717 2.931 4.900 186 HD21 LEU 22 HD21 LEU 22 10.503 4.591 3.170 187 HD22 LEU 22 HD22 LEU 22 11.931 3.577 3.372 188 HD23 LEU 22 HD23 LEU 22 10.863 3.877 4.743 189 H ARG 23 H ARG 23 10.954 -1.121 4.400 190 HA ARG 23 HA ARG 23 13.209 -2.957 4.182 191 HB2 ARG 23 HB2 ARG 23 13.860 -1.119 5.858 192 HB3 ARG 23 HB3 ARG 23 12.612 -1.787 6.911 193 HG2 ARG 23 HG2 ARG 23 13.799 -4.066 6.503 194 HG3 ARG 23 HG3 ARG 23 15.159 -3.085 5.956 195 HD2 ARG 23 HD2 ARG 23 15.360 -2.004 8.094 196 HD3 ARG 23 HD3 ARG 23 13.808 -2.666 8.643 197 HE ARG 23 HE ARG 23 14.898 -4.959 8.399 198 HH11 ARG 23 HH11 ARG 23 17.448 -3.830 7.173 199 HH12 ARG 23 HH12 ARG 23 18.523 -3.866 8.530 200 HH21 ARG 23 HH21 ARG 23 15.977 -4.259 10.865 201 HH22 ARG 23 HH22 ARG 23 17.686 -4.110 10.630 202 HA PRO 24 HA PRO 24 9.443 -5.312 4.922 203 HB2 PRO 24 HB2 PRO 24 10.539 -7.743 4.285 204 HB3 PRO 24 HB3 PRO 24 9.989 -6.578 3.065 205 HG2 PRO 24 HG2 PRO 24 12.750 -7.120 4.053 206 HG3 PRO 24 HG3 PRO 24 12.184 -6.812 2.403 207 HD2 PRO 24 HD2 PRO 24 13.391 -4.913 3.911 208 HD3 PRO 24 HD3 PRO 24 12.151 -4.532 2.696 209 H GLU 25 H GLU 25 8.766 -6.467 6.738 210 HA GLU 25 HA GLU 25 10.783 -6.906 8.881 211 HB2 GLU 25 HB2 GLU 25 7.778 -6.649 8.709 212 HB3 GLU 25 HB3 GLU 25 8.556 -7.227 10.183 213 HG2 GLU 25 HG2 GLU 25 10.003 -5.149 10.122 214 HG3 GLU 25 HG3 GLU 25 8.975 -4.556 8.818 215 H ARG 26 H ARG 26 7.956 -8.667 7.525 216 HA ARG 26 HA ARG 26 9.457 -11.226 7.919 217 HB2 ARG 26 HB2 ARG 26 7.359 -10.250 9.513 218 HB3 ARG 26 HB3 ARG 26 6.599 -11.441 8.457 219 HG2 ARG 26 HG2 ARG 26 8.026 -13.180 9.196 220 HG3 ARG 26 HG3 ARG 26 9.178 -12.048 9.904 221 HD2 ARG 26 HD2 ARG 26 6.425 -11.859 10.996 222 HD3 ARG 26 HD3 ARG 26 7.291 -13.361 11.374 223 HE ARG 26 HE ARG 26 8.886 -10.912 11.721 224 HH11 ARG 26 HH11 ARG 26 9.445 -13.418 13.223 225 HH12 ARG 26 HH12 ARG 26 8.805 -13.068 14.795 226 HH21 ARG 26 HH21 ARG 26 6.899 -10.372 13.702 227 HH22 ARG 26 HH22 ARG 26 7.356 -11.336 15.066 Start of MODEL 15 1 HA ARG 1 HA ARG 1 -21.302 0.534 -2.855 2 HB2 ARG 1 HB2 ARG 1 -20.994 3.373 -1.949 3 HB3 ARG 1 HB3 ARG 1 -19.541 2.508 -2.449 4 HG2 ARG 1 HG2 ARG 1 -21.353 1.842 -4.433 5 HG3 ARG 1 HG3 ARG 1 -21.762 3.521 -4.079 6 HD2 ARG 1 HD2 ARG 1 -19.166 3.912 -4.186 7 HD3 ARG 1 HD3 ARG 1 -19.163 2.390 -5.099 8 HE ARG 1 HE ARG 1 -20.680 4.842 -5.891 9 HH11 ARG 1 HH11 ARG 1 -18.293 3.646 -7.403 10 HH12 ARG 1 HH12 ARG 1 -19.101 2.838 -8.704 11 HH21 ARG 1 HH21 ARG 1 -22.226 2.963 -7.187 12 HH22 ARG 1 HH22 ARG 1 -21.337 2.450 -8.581 13 H SER 2 H SER 2 -19.440 -0.591 -2.146 14 HA SER 2 HA SER 2 -19.249 -1.167 0.701 15 HB2 SER 2 HB2 SER 2 -18.310 -2.192 -1.838 16 HB3 SER 2 HB3 SER 2 -16.982 -2.136 -0.686 17 HG SER 2 HG SER 2 -19.447 -3.495 -0.531 18 H ALA 3 H ALA 3 -17.545 -0.588 2.123 19 HA ALA 3 HA ALA 3 -15.879 1.739 1.232 20 HB1 ALA 3 HB1 ALA 3 -17.445 2.214 3.023 21 HB2 ALA 3 HB2 ALA 3 -15.823 2.190 3.713 22 HB3 ALA 3 HB3 ALA 3 -16.897 0.807 3.933 23 H LEU 4 H LEU 4 -15.744 -1.363 3.008 24 HA LEU 4 HA LEU 4 -12.839 -1.142 3.433 25 HB2 LEU 4 HB2 LEU 4 -14.848 -2.302 4.791 26 HB3 LEU 4 HB3 LEU 4 -14.355 -3.684 3.812 27 HG LEU 4 HG LEU 4 -11.922 -2.842 4.601 28 HD11 LEU 4 HD11 LEU 4 -13.087 -0.988 5.929 29 HD12 LEU 4 HD12 LEU 4 -11.932 -1.974 6.824 30 HD13 LEU 4 HD13 LEU 4 -13.662 -2.261 7.007 31 HD21 LEU 4 HD21 LEU 4 -13.807 -4.530 6.280 32 HD22 LEU 4 HD22 LEU 4 -12.045 -4.572 6.354 33 HD23 LEU 4 HD23 LEU 4 -12.880 -5.108 4.895 34 H VAL 5 H VAL 5 -14.340 -1.590 0.622 35 HA VAL 5 HA VAL 5 -12.821 -4.005 -0.250 36 HB VAL 5 HB VAL 5 -15.009 -2.319 -1.516 37 HG11 VAL 5 HG11 VAL 5 -13.655 -4.857 -2.484 38 HG12 VAL 5 HG12 VAL 5 -13.604 -3.277 -3.267 39 HG13 VAL 5 HG13 VAL 5 -15.120 -4.175 -3.190 40 HG21 VAL 5 HG21 VAL 5 -15.823 -3.649 0.348 41 HG22 VAL 5 HG22 VAL 5 -14.969 -5.073 -0.243 42 HG23 VAL 5 HG23 VAL 5 -16.338 -4.427 -1.149 43 H ASN 6 H ASN 6 -13.206 -0.526 -0.975 44 HA ASN 6 HA ASN 6 -11.048 -0.633 -3.002 45 HB2 ASN 6 HB2 ASN 6 -13.145 1.271 -2.055 46 HB3 ASN 6 HB3 ASN 6 -11.703 1.973 -2.789 47 HD21 ASN 6 HD21 ASN 6 -11.044 0.468 -4.906 48 HD22 ASN 6 HD22 ASN 6 -12.345 0.229 -5.969 49 H SER 7 H SER 7 -11.621 0.705 0.257 50 HA SER 7 HA SER 7 -9.256 2.253 0.549 51 HB2 SER 7 HB2 SER 7 -11.384 1.939 2.024 52 HB3 SER 7 HB3 SER 7 -10.493 0.608 2.758 53 HG SER 7 HG SER 7 -10.084 2.507 3.892 54 H TYR 8 H TYR 8 -9.798 -1.159 1.564 55 HA TYR 8 HA TYR 8 -7.101 -1.637 2.407 56 HB2 TYR 8 HB2 TYR 8 -8.031 -3.624 3.001 57 HB3 TYR 8 HB3 TYR 8 -9.549 -2.927 2.452 58 HD1 TYR 8 HD1 TYR 8 -10.489 -3.523 0.250 59 HD2 TYR 8 HD2 TYR 8 -6.830 -5.265 1.672 60 HE1 TYR 8 HE1 TYR 8 -10.651 -5.284 -1.488 61 HE2 TYR 8 HE2 TYR 8 -6.992 -7.024 -0.065 62 HH TYR 8 HH TYR 8 -9.557 -7.899 -1.565 63 H LEU 9 H LEU 9 -8.642 -1.800 -0.769 64 HA LEU 9 HA LEU 9 -6.562 -3.249 -2.149 65 HB2 LEU 9 HB2 LEU 9 -9.098 -2.229 -2.659 66 HB3 LEU 9 HB3 LEU 9 -8.063 -1.233 -3.675 67 HG LEU 9 HG LEU 9 -7.178 -3.152 -4.811 68 HD11 LEU 9 HD11 LEU 9 -6.866 -5.045 -3.623 69 HD12 LEU 9 HD12 LEU 9 -8.592 -5.363 -3.799 70 HD13 LEU 9 HD13 LEU 9 -7.993 -4.510 -2.377 71 HD21 LEU 9 HD21 LEU 9 -9.319 -2.532 -5.689 72 HD22 LEU 9 HD22 LEU 9 -10.166 -3.324 -4.359 73 HD23 LEU 9 HD23 LEU 9 -9.328 -4.291 -5.573 74 H TRP 10 H TRP 10 -7.249 0.252 -1.792 75 HA TRP 10 HA TRP 10 -5.032 1.234 -3.301 76 HB2 TRP 10 HB2 TRP 10 -6.947 2.595 -2.586 77 HB3 TRP 10 HB3 TRP 10 -6.519 2.351 -0.896 78 HD1 TRP 10 HD1 TRP 10 -5.945 4.801 -0.274 79 HE1 TRP 10 HE1 TRP 10 -4.101 6.449 -0.998 80 HE3 TRP 10 HE3 TRP 10 -4.032 2.292 -4.294 81 HZ2 TRP 10 HZ2 TRP 10 -2.085 6.677 -3.009 82 HZ3 TRP 10 HZ3 TRP 10 -2.153 3.250 -5.593 83 HH2 TRP 10 HH2 TRP 10 -1.178 5.437 -4.957 84 H GLN 11 H GLN 11 -5.328 0.245 0.105 85 HA GLN 11 HA GLN 11 -2.778 1.125 1.036 86 HB2 GLN 11 HB2 GLN 11 -4.829 0.202 2.295 87 HB3 GLN 11 HB3 GLN 11 -4.228 -1.402 1.871 88 HG2 GLN 11 HG2 GLN 11 -2.836 -1.312 3.636 89 HG3 GLN 11 HG3 GLN 11 -2.007 0.049 2.879 90 HE21 GLN 11 HE21 GLN 11 -2.912 2.269 3.383 91 HE22 GLN 11 HE22 GLN 11 -3.710 2.509 4.861 92 H ARG 12 H ARG 12 -3.797 -2.013 -0.369 93 HA ARG 12 HA ARG 12 -1.386 -3.458 -0.251 94 HB2 ARG 12 HB2 ARG 12 -3.590 -3.283 -2.324 95 HB3 ARG 12 HB3 ARG 12 -2.320 -4.502 -2.400 96 HG2 ARG 12 HG2 ARG 12 -3.028 -5.549 -0.418 97 HG3 ARG 12 HG3 ARG 12 -3.920 -4.128 0.125 98 HD2 ARG 12 HD2 ARG 12 -5.800 -4.868 -0.896 99 HD3 ARG 12 HD3 ARG 12 -4.943 -5.023 -2.441 100 HE ARG 12 HE ARG 12 -4.877 -7.131 -0.310 101 HH11 ARG 12 HH11 ARG 12 -2.793 -7.218 -2.488 102 HH12 ARG 12 HH12 ARG 12 -3.522 -8.291 -3.636 103 HH21 ARG 12 HH21 ARG 12 -6.704 -8.012 -2.260 104 HH22 ARG 12 HH22 ARG 12 -5.747 -8.743 -3.505 105 H TRP 13 H TRP 13 -2.393 -1.015 -2.639 106 HA TRP 13 HA TRP 13 -0.271 -1.278 -4.512 107 HB2 TRP 13 HB2 TRP 13 -2.510 0.317 -4.065 108 HB3 TRP 13 HB3 TRP 13 -1.176 1.463 -3.973 109 HD1 TRP 13 HD1 TRP 13 -3.296 1.371 -6.350 110 HE1 TRP 13 HE1 TRP 13 -2.454 1.067 -8.770 111 HE3 TRP 13 HE3 TRP 13 1.286 -0.687 -5.437 112 HZ2 TRP 13 HZ2 TRP 13 -0.142 0.084 -10.132 113 HZ3 TRP 13 HZ3 TRP 13 2.784 -1.295 -7.311 114 HH2 TRP 13 HH2 TRP 13 2.079 -0.911 -9.655 115 H GLU 14 H GLU 14 -0.554 1.125 -1.870 116 HA GLU 14 HA GLU 14 2.207 1.993 -2.120 117 HB2 GLU 14 HB2 GLU 14 0.035 2.412 -0.048 118 HB3 GLU 14 HB3 GLU 14 1.560 3.299 -0.077 119 HG2 GLU 14 HG2 GLU 14 0.769 3.632 -2.655 120 HG3 GLU 14 HG3 GLU 14 -0.802 3.544 -1.856 121 H ASN 15 H ASN 15 0.478 -0.134 0.200 122 HA ASN 15 HA ASN 15 2.493 -0.481 2.133 123 HB2 ASN 15 HB2 ASN 15 0.031 -1.561 1.589 124 HB3 ASN 15 HB3 ASN 15 1.084 -2.944 1.303 125 HD21 ASN 15 HD21 ASN 15 3.058 -2.711 3.214 126 HD22 ASN 15 HD22 ASN 15 2.389 -2.694 4.774 127 H TRP 16 H TRP 16 2.126 -2.204 -0.993 128 HA TRP 16 HA TRP 16 4.421 -3.922 -0.642 129 HB2 TRP 16 HB2 TRP 16 2.904 -4.587 -2.312 130 HB3 TRP 16 HB3 TRP 16 2.712 -2.945 -2.925 131 HD1 TRP 16 HD1 TRP 16 5.238 -5.845 -2.913 132 HE1 TRP 16 HE1 TRP 16 6.813 -5.569 -4.933 133 HE3 TRP 16 HE3 TRP 16 3.642 -1.319 -4.664 134 HZ2 TRP 16 HZ2 TRP 16 7.332 -3.678 -7.013 135 HZ3 TRP 16 HZ3 TRP 16 4.697 -0.303 -6.662 136 HH2 TRP 16 HH2 TRP 16 6.538 -1.476 -7.839 137 H PHE 17 H PHE 17 3.972 -0.826 -2.389 138 HA PHE 17 HA PHE 17 6.619 -0.457 -3.323 139 HB2 PHE 17 HB2 PHE 17 4.579 0.855 -3.931 140 HB3 PHE 17 HB3 PHE 17 4.616 1.605 -2.336 141 HD1 PHE 17 HD1 PHE 17 6.753 1.051 -5.363 142 HD2 PHE 17 HD2 PHE 17 5.871 3.556 -1.987 143 HE1 PHE 17 HE1 PHE 17 8.372 2.737 -6.191 144 HE2 PHE 17 HE2 PHE 17 7.491 5.241 -2.814 145 HZ PHE 17 HZ PHE 17 8.742 4.832 -4.916 146 H TRP 18 H TRP 18 5.135 0.780 -0.295 147 HA TRP 18 HA TRP 18 7.543 1.912 0.781 148 HB2 TRP 18 HB2 TRP 18 5.012 0.843 2.073 149 HB3 TRP 18 HB3 TRP 18 6.213 1.816 2.916 150 HD1 TRP 18 HD1 TRP 18 3.042 2.471 1.864 151 HE1 TRP 18 HE1 TRP 18 2.697 4.780 0.768 152 HE3 TRP 18 HE3 TRP 18 7.883 3.643 0.719 153 HZ2 TRP 18 HZ2 TRP 18 4.261 6.844 -0.432 154 HZ3 TRP 18 HZ3 TRP 18 8.424 5.786 -0.398 155 HH2 TRP 18 HH2 TRP 18 6.620 7.388 -0.974 156 H ASN 19 H ASN 19 6.228 -1.377 0.857 157 HA ASN 19 HA ASN 19 7.867 -2.422 2.972 158 HB2 ASN 19 HB2 ASN 19 5.780 -3.364 1.741 159 HB3 ASN 19 HB3 ASN 19 6.932 -3.965 0.550 160 HD21 ASN 19 HD21 ASN 19 5.703 -4.421 3.809 161 HD22 ASN 19 HD22 ASN 19 6.625 -5.800 4.166 162 H VAL 20 H VAL 20 8.354 -2.402 -0.592 163 HA VAL 20 HA VAL 20 11.051 -3.562 -0.292 164 HB VAL 20 HB VAL 20 11.029 -3.464 -2.764 165 HG11 VAL 20 HG11 VAL 20 9.358 -5.100 -3.086 166 HG12 VAL 20 HG12 VAL 20 8.295 -4.380 -1.877 167 HG13 VAL 20 HG13 VAL 20 9.754 -5.233 -1.372 168 HG21 VAL 20 HG21 VAL 20 9.778 -1.281 -2.910 169 HG22 VAL 20 HG22 VAL 20 8.308 -2.151 -2.473 170 HG23 VAL 20 HG23 VAL 20 9.143 -2.534 -3.976 171 H THR 21 H THR 21 9.634 -0.364 -0.731 172 HA THR 21 HA THR 21 12.116 0.904 -1.609 173 HB THR 21 HB THR 21 9.472 1.959 -0.555 174 HG1 THR 21 HG1 THR 21 9.012 1.181 -2.478 175 HG21 THR 21 HG21 THR 21 10.193 4.107 -1.611 176 HG22 THR 21 HG22 THR 21 11.789 3.403 -1.870 177 HG23 THR 21 HG23 THR 21 11.190 3.651 -0.230 178 H LEU 22 H LEU 22 10.408 0.532 1.485 179 HA LEU 22 HA LEU 22 12.421 2.170 2.902 180 HB2 LEU 22 HB2 LEU 22 10.012 0.588 3.855 181 HB3 LEU 22 HB3 LEU 22 10.944 1.710 4.843 182 HG LEU 22 HG LEU 22 9.600 2.530 2.256 183 HD11 LEU 22 HD11 LEU 22 8.587 2.818 5.101 184 HD12 LEU 22 HD12 LEU 22 7.905 1.748 3.877 185 HD13 LEU 22 HD13 LEU 22 7.823 3.496 3.663 186 HD21 LEU 22 HD21 LEU 22 9.817 4.799 3.442 187 HD22 LEU 22 HD22 LEU 22 11.316 4.074 2.860 188 HD23 LEU 22 HD23 LEU 22 10.898 3.982 4.571 189 H ARG 23 H ARG 23 11.690 -1.212 2.345 190 HA ARG 23 HA ARG 23 12.809 -3.188 2.958 191 HB2 ARG 23 HB2 ARG 23 14.839 -0.996 2.969 192 HB3 ARG 23 HB3 ARG 23 15.321 -2.547 3.657 193 HG2 ARG 23 HG2 ARG 23 14.563 -3.675 1.569 194 HG3 ARG 23 HG3 ARG 23 14.192 -2.094 0.878 195 HD2 ARG 23 HD2 ARG 23 16.407 -1.573 0.543 196 HD3 ARG 23 HD3 ARG 23 16.931 -2.422 2.012 197 HE ARG 23 HE ARG 23 16.743 -4.542 0.794 198 HH11 ARG 23 HH11 ARG 23 18.513 -2.822 -0.955 199 HH12 ARG 23 HH12 ARG 23 17.810 -3.067 -2.520 200 HH21 ARG 23 HH21 ARG 23 14.840 -4.369 -1.263 201 HH22 ARG 23 HH22 ARG 23 15.721 -3.949 -2.694 202 HA PRO 24 HA PRO 24 11.954 -2.537 7.415 203 HB2 PRO 24 HB2 PRO 24 10.619 -4.910 7.731 204 HB3 PRO 24 HB3 PRO 24 9.832 -3.429 7.147 205 HG2 PRO 24 HG2 PRO 24 10.829 -5.774 5.606 206 HG3 PRO 24 HG3 PRO 24 9.354 -4.821 5.380 207 HD2 PRO 24 HD2 PRO 24 11.569 -4.507 3.841 208 HD3 PRO 24 HD3 PRO 24 10.435 -3.183 4.191 209 H GLU 25 H GLU 25 13.735 -2.992 8.653 210 HA GLU 25 HA GLU 25 15.572 -4.141 9.583 211 HB2 GLU 25 HB2 GLU 25 13.403 -6.148 9.103 212 HB3 GLU 25 HB3 GLU 25 14.991 -6.761 9.565 213 HG2 GLU 25 HG2 GLU 25 14.987 -5.524 11.605 214 HG3 GLU 25 HG3 GLU 25 13.612 -4.545 11.094 215 H ARG 26 H ARG 26 16.441 -3.341 7.292 216 HA ARG 26 HA ARG 26 17.948 -3.762 5.535 217 HB2 ARG 26 HB2 ARG 26 18.535 -5.468 7.602 218 HB3 ARG 26 HB3 ARG 26 18.291 -6.606 6.277 219 HG2 ARG 26 HG2 ARG 26 19.878 -5.283 4.886 220 HG3 ARG 26 HG3 ARG 26 20.171 -4.227 6.270 221 HD2 ARG 26 HD2 ARG 26 20.647 -6.584 7.474 222 HD3 ARG 26 HD3 ARG 26 21.078 -7.035 5.812 223 HE ARG 26 HE ARG 26 22.523 -4.902 5.840 224 HH11 ARG 26 HH11 ARG 26 23.756 -7.213 7.342 225 HH12 ARG 26 HH12 ARG 26 24.211 -6.463 8.834 226 HH21 ARG 26 HH21 ARG 26 22.200 -3.670 8.346 227 HH22 ARG 26 HH22 ARG 26 23.328 -4.448 9.405 Start of MODEL 16 1 HA ARG 1 HA ARG 1 -14.681 -2.558 -7.055 2 HB2 ARG 1 HB2 ARG 1 -15.678 -4.147 -8.827 3 HB3 ARG 1 HB3 ARG 1 -17.190 -4.013 -7.929 4 HG2 ARG 1 HG2 ARG 1 -17.492 -2.256 -9.389 5 HG3 ARG 1 HG3 ARG 1 -16.622 -1.401 -8.117 6 HD2 ARG 1 HD2 ARG 1 -14.920 -0.948 -9.540 7 HD3 ARG 1 HD3 ARG 1 -14.732 -2.672 -9.913 8 HE ARG 1 HE ARG 1 -16.741 -0.906 -11.272 9 HH11 ARG 1 HH11 ARG 1 -14.170 -1.520 -12.690 10 HH12 ARG 1 HH12 ARG 1 -14.602 -2.891 -13.654 11 HH21 ARG 1 HH21 ARG 1 -17.498 -3.575 -11.856 12 HH22 ARG 1 HH22 ARG 1 -16.494 -4.058 -13.182 13 H SER 2 H SER 2 -14.865 -2.506 -4.505 14 HA SER 2 HA SER 2 -17.617 -1.558 -3.843 15 HB2 SER 2 HB2 SER 2 -15.975 -3.652 -2.396 16 HB3 SER 2 HB3 SER 2 -17.344 -2.837 -1.647 17 HG SER 2 HG SER 2 -18.336 -4.484 -2.577 18 H ALA 3 H ALA 3 -17.619 -0.113 -1.959 19 HA ALA 3 HA ALA 3 -15.425 1.720 -1.843 20 HB1 ALA 3 HB1 ALA 3 -16.722 2.654 0.051 21 HB2 ALA 3 HB2 ALA 3 -17.678 1.173 0.122 22 HB3 ALA 3 HB3 ALA 3 -17.786 2.225 -1.289 23 H LEU 4 H LEU 4 -16.382 -0.943 0.348 24 HA LEU 4 HA LEU 4 -14.243 -0.484 2.252 25 HB2 LEU 4 HB2 LEU 4 -16.594 -1.933 2.116 26 HB3 LEU 4 HB3 LEU 4 -15.366 -3.196 2.041 27 HG LEU 4 HG LEU 4 -15.094 -1.012 4.084 28 HD11 LEU 4 HD11 LEU 4 -17.445 -1.920 4.208 29 HD12 LEU 4 HD12 LEU 4 -16.481 -2.220 5.654 30 HD13 LEU 4 HD13 LEU 4 -16.752 -3.517 4.490 31 HD21 LEU 4 HD21 LEU 4 -14.086 -2.948 5.347 32 HD22 LEU 4 HD22 LEU 4 -13.249 -2.570 3.841 33 HD23 LEU 4 HD23 LEU 4 -14.346 -3.949 3.917 34 H VAL 5 H VAL 5 -14.624 -2.530 -0.613 35 HA VAL 5 HA VAL 5 -12.206 -4.081 -0.238 36 HB VAL 5 HB VAL 5 -13.974 -3.423 -2.616 37 HG11 VAL 5 HG11 VAL 5 -12.788 -5.589 -3.508 38 HG12 VAL 5 HG12 VAL 5 -11.499 -5.118 -2.400 39 HG13 VAL 5 HG13 VAL 5 -11.990 -4.027 -3.697 40 HG21 VAL 5 HG21 VAL 5 -15.012 -4.767 -0.828 41 HG22 VAL 5 HG22 VAL 5 -13.661 -5.901 -0.887 42 HG23 VAL 5 HG23 VAL 5 -14.750 -5.752 -2.267 43 H ASN 6 H ASN 6 -12.971 -1.229 -2.282 44 HA ASN 6 HA ASN 6 -10.329 -0.909 -3.370 45 HB2 ASN 6 HB2 ASN 6 -12.815 0.148 -3.782 46 HB3 ASN 6 HB3 ASN 6 -12.024 1.491 -2.958 47 HD21 ASN 6 HD21 ASN 6 -12.624 0.421 -6.014 48 HD22 ASN 6 HD22 ASN 6 -11.245 1.007 -6.810 49 H SER 7 H SER 7 -11.878 0.374 -0.418 50 HA SER 7 HA SER 7 -9.936 2.308 0.334 51 HB2 SER 7 HB2 SER 7 -12.203 1.795 1.361 52 HB3 SER 7 HB3 SER 7 -11.452 0.418 2.162 53 HG SER 7 HG SER 7 -11.511 2.413 3.402 54 H TYR 8 H TYR 8 -10.051 -1.205 1.027 55 HA TYR 8 HA TYR 8 -7.491 -1.188 2.448 56 HB2 TYR 8 HB2 TYR 8 -9.168 -2.818 3.039 57 HB3 TYR 8 HB3 TYR 8 -9.349 -3.326 1.359 58 HD1 TYR 8 HD1 TYR 8 -6.836 -3.121 4.122 59 HD2 TYR 8 HD2 TYR 8 -8.046 -5.088 0.501 60 HE1 TYR 8 HE2 TYR 8 -5.028 -4.790 4.425 61 HE2 TYR 8 HE1 TYR 8 -6.237 -6.756 0.802 62 HH TYR 8 HH TYR 8 -4.780 -7.418 3.490 63 H LEU 9 H LEU 9 -8.638 -2.002 -0.824 64 HA LEU 9 HA LEU 9 -6.307 -3.207 -1.892 65 HB2 LEU 9 HB2 LEU 9 -8.647 -1.644 -2.910 66 HB3 LEU 9 HB3 LEU 9 -7.314 -1.927 -4.026 67 HG LEU 9 HG LEU 9 -8.796 -4.074 -2.477 68 HD11 LEU 9 HD11 LEU 9 -8.762 -3.585 -5.463 69 HD12 LEU 9 HD12 LEU 9 -10.012 -2.925 -4.406 70 HD13 LEU 9 HD13 LEU 9 -9.815 -4.672 -4.556 71 HD21 LEU 9 HD21 LEU 9 -6.442 -4.106 -4.365 72 HD22 LEU 9 HD22 LEU 9 -7.479 -5.520 -4.189 73 HD23 LEU 9 HD23 LEU 9 -6.602 -4.892 -2.795 74 H TRP 10 H TRP 10 -7.170 0.261 -1.645 75 HA TRP 10 HA TRP 10 -4.948 1.340 -3.058 76 HB2 TRP 10 HB2 TRP 10 -6.935 2.615 -2.372 77 HB3 TRP 10 HB3 TRP 10 -6.524 2.378 -0.674 78 HD1 TRP 10 HD1 TRP 10 -6.031 4.835 -0.018 79 HE1 TRP 10 HE1 TRP 10 -4.234 6.551 -0.710 80 HE3 TRP 10 HE3 TRP 10 -4.009 2.435 -4.052 81 HZ2 TRP 10 HZ2 TRP 10 -2.213 6.867 -2.703 82 HZ3 TRP 10 HZ3 TRP 10 -2.151 3.467 -5.325 83 HH2 TRP 10 HH2 TRP 10 -1.252 5.678 -4.656 84 H GLN 11 H GLN 11 -5.309 0.478 0.399 85 HA GLN 11 HA GLN 11 -2.733 1.364 1.277 86 HB2 GLN 11 HB2 GLN 11 -4.977 -0.265 2.213 87 HB3 GLN 11 HB3 GLN 11 -3.432 -0.887 2.791 88 HG2 GLN 11 HG2 GLN 11 -3.659 0.685 4.420 89 HG3 GLN 11 HG3 GLN 11 -3.095 1.803 3.178 90 HE21 GLN 11 HE21 GLN 11 -5.762 1.036 5.232 91 HE22 GLN 11 HE22 GLN 11 -6.879 2.116 4.550 92 H ARG 12 H ARG 12 -3.847 -1.804 0.035 93 HA ARG 12 HA ARG 12 -1.459 -3.305 0.281 94 HB2 ARG 12 HB2 ARG 12 -3.919 -3.283 -1.374 95 HB3 ARG 12 HB3 ARG 12 -2.566 -4.171 -2.073 96 HG2 ARG 12 HG2 ARG 12 -3.043 -4.666 0.810 97 HG3 ARG 12 HG3 ARG 12 -4.308 -5.246 -0.273 98 HD2 ARG 12 HD2 ARG 12 -1.358 -5.859 -0.669 99 HD3 ARG 12 HD3 ARG 12 -2.497 -6.953 0.139 100 HE ARG 12 HE ARG 12 -3.837 -6.442 -2.169 101 HH11 ARG 12 HH11 ARG 12 -1.045 -5.638 -3.216 102 HH12 ARG 12 HH12 ARG 12 -0.565 -7.108 -3.996 103 HH21 ARG 12 HH21 ARG 12 -3.013 -9.033 -2.455 104 HH22 ARG 12 HH22 ARG 12 -1.681 -9.037 -3.562 105 H TRP 13 H TRP 13 -2.468 -1.028 -2.261 106 HA TRP 13 HA TRP 13 -0.414 -1.430 -4.168 107 HB2 TRP 13 HB2 TRP 13 -2.582 0.246 -3.750 108 HB3 TRP 13 HB3 TRP 13 -1.223 1.363 -3.683 109 HD1 TRP 13 HD1 TRP 13 -3.326 1.334 -6.051 110 HE1 TRP 13 HE1 TRP 13 -2.508 0.946 -8.469 111 HE3 TRP 13 HE3 TRP 13 1.142 -0.946 -5.114 112 HZ2 TRP 13 HZ2 TRP 13 -0.253 -0.182 -9.819 113 HZ3 TRP 13 HZ3 TRP 13 2.603 -1.667 -6.978 114 HH2 TRP 13 HH2 TRP 13 1.914 -1.287 -9.328 115 H GLU 14 H GLU 14 -0.522 1.144 -1.679 116 HA GLU 14 HA GLU 14 2.248 1.890 -2.003 117 HB2 GLU 14 HB2 GLU 14 0.212 2.352 0.200 118 HB3 GLU 14 HB3 GLU 14 1.740 3.221 0.048 119 HG2 GLU 14 HG2 GLU 14 0.748 3.534 -2.470 120 HG3 GLU 14 HG3 GLU 14 -0.750 3.494 -1.538 121 H ASN 15 H ASN 15 0.558 -0.347 0.186 122 HA ASN 15 HA ASN 15 2.527 -0.800 2.150 123 HB2 ASN 15 HB2 ASN 15 0.121 -1.776 1.719 124 HB3 ASN 15 HB3 ASN 15 0.991 -3.062 0.884 125 HD21 ASN 15 HD21 ASN 15 2.954 -3.956 2.284 126 HD22 ASN 15 HD22 ASN 15 2.626 -4.182 3.934 127 H TRP 16 H TRP 16 2.241 -2.278 -1.099 128 HA TRP 16 HA TRP 16 4.606 -3.940 -0.854 129 HB2 TRP 16 HB2 TRP 16 3.077 -4.624 -2.496 130 HB3 TRP 16 HB3 TRP 16 2.758 -2.974 -3.025 131 HD1 TRP 16 HD1 TRP 16 5.352 -5.776 -3.349 132 HE1 TRP 16 HE1 TRP 16 6.827 -5.301 -5.410 133 HE3 TRP 16 HE3 TRP 16 3.621 -1.143 -4.627 134 HZ2 TRP 16 HZ2 TRP 16 7.221 -3.230 -7.343 135 HZ3 TRP 16 HZ3 TRP 16 4.564 0.056 -6.580 136 HH2 TRP 16 HH2 TRP 16 6.359 -0.981 -7.938 137 H PHE 17 H PHE 17 3.953 -0.765 -2.369 138 HA PHE 17 HA PHE 17 6.547 -0.246 -3.408 139 HB2 PHE 17 HB2 PHE 17 4.448 1.014 -3.884 140 HB3 PHE 17 HB3 PHE 17 4.487 1.666 -2.245 141 HD1 PHE 17 HD1 PHE 17 6.568 1.400 -5.350 142 HD2 PHE 17 HD2 PHE 17 5.672 3.642 -1.796 143 HE1 PHE 17 HE2 PHE 17 8.099 3.201 -6.099 144 HE2 PHE 17 HE1 PHE 17 7.202 5.443 -2.547 145 HZ PHE 17 HZ PHE 17 8.417 5.222 -4.698 146 H TRP 18 H TRP 18 5.131 0.665 -0.238 147 HA TRP 18 HA TRP 18 7.541 1.868 0.798 148 HB2 TRP 18 HB2 TRP 18 5.081 0.660 2.102 149 HB3 TRP 18 HB3 TRP 18 6.291 1.595 2.976 150 HD1 TRP 18 HD1 TRP 18 3.086 2.268 2.108 151 HE1 TRP 18 HE1 TRP 18 2.655 4.633 1.179 152 HE3 TRP 18 HE3 TRP 18 7.848 3.594 0.809 153 HZ2 TRP 18 HZ2 TRP 18 4.130 6.797 0.041 154 HZ3 TRP 18 HZ3 TRP 18 8.304 5.812 -0.192 155 HH2 TRP 18 HH2 TRP 18 6.453 7.415 -0.578 156 H ASN 19 H ASN 19 6.256 -1.444 0.839 157 HA ASN 19 HA ASN 19 8.061 -2.549 2.776 158 HB2 ASN 19 HB2 ASN 19 5.928 -3.531 1.833 159 HB3 ASN 19 HB3 ASN 19 6.821 -3.898 0.358 160 HD21 ASN 19 HD21 ASN 19 6.317 -4.864 3.700 161 HD22 ASN 19 HD22 ASN 19 7.326 -6.228 3.653 162 H VAL 20 H VAL 20 8.288 -2.351 -0.808 163 HA VAL 20 HA VAL 20 10.982 -3.546 -0.777 164 HB VAL 20 HB VAL 20 10.794 -3.274 -3.225 165 HG11 VAL 20 HG11 VAL 20 9.298 -4.931 -1.632 166 HG12 VAL 20 HG12 VAL 20 9.381 -5.041 -3.390 167 HG13 VAL 20 HG13 VAL 20 8.052 -4.172 -2.623 168 HG21 VAL 20 HG21 VAL 20 8.763 -1.316 -2.418 169 HG22 VAL 20 HG22 VAL 20 8.193 -2.418 -3.669 170 HG23 VAL 20 HG23 VAL 20 9.646 -1.455 -3.936 171 H THR 21 H THR 21 9.619 -0.294 -0.829 172 HA THR 21 HA THR 21 12.126 0.947 -1.748 173 HB THR 21 HB THR 21 9.521 2.046 -0.642 174 HG1 THR 21 HG1 THR 21 8.991 1.383 -2.578 175 HG21 THR 21 HG21 THR 21 11.260 3.686 -0.277 176 HG22 THR 21 HG22 THR 21 10.321 4.193 -1.682 177 HG23 THR 21 HG23 THR 21 11.899 3.436 -1.903 178 H LEU 22 H LEU 22 10.355 0.601 1.319 179 HA LEU 22 HA LEU 22 12.558 1.962 2.780 180 HB2 LEU 22 HB2 LEU 22 9.863 0.889 3.671 181 HB3 LEU 22 HB3 LEU 22 10.950 1.859 4.661 182 HG LEU 22 HG LEU 22 10.115 2.921 1.982 183 HD11 LEU 22 HD11 LEU 22 8.073 3.828 2.868 184 HD12 LEU 22 HD12 LEU 22 8.448 3.244 4.489 185 HD13 LEU 22 HD13 LEU 22 8.053 2.098 3.209 186 HD21 LEU 22 HD21 LEU 22 11.806 4.099 3.348 187 HD22 LEU 22 HD22 LEU 22 10.665 4.181 4.690 188 HD23 LEU 22 HD23 LEU 22 10.336 5.063 3.198 189 H ARG 23 H ARG 23 11.305 -1.238 2.167 190 HA ARG 23 HA ARG 23 11.972 -3.369 2.932 191 HB2 ARG 23 HB2 ARG 23 14.118 -1.951 2.114 192 HB3 ARG 23 HB3 ARG 23 14.585 -2.213 3.794 193 HG2 ARG 23 HG2 ARG 23 15.456 -4.121 2.783 194 HG3 ARG 23 HG3 ARG 23 13.872 -4.700 3.301 195 HD2 ARG 23 HD2 ARG 23 13.353 -3.575 0.801 196 HD3 ARG 23 HD3 ARG 23 14.918 -4.384 0.585 197 HE ARG 23 HE ARG 23 13.840 -6.440 1.572 198 HH11 ARG 23 HH11 ARG 23 12.614 -5.938 -1.103 199 HH12 ARG 23 HH12 ARG 23 10.919 -6.014 -0.753 200 HH21 ARG 23 HH21 ARG 23 11.343 -5.635 2.674 201 HH22 ARG 23 HH22 ARG 23 10.195 -5.846 1.393 202 HA PRO 24 HA PRO 24 11.398 -1.955 7.365 203 HB2 PRO 24 HB2 PRO 24 8.891 -2.996 7.727 204 HB3 PRO 24 HB3 PRO 24 9.181 -1.359 7.107 205 HG2 PRO 24 HG2 PRO 24 8.465 -3.841 5.635 206 HG3 PRO 24 HG3 PRO 24 7.945 -2.173 5.357 207 HD2 PRO 24 HD2 PRO 24 9.863 -3.441 3.876 208 HD3 PRO 24 HD3 PRO 24 9.774 -1.679 4.085 209 H GLU 25 H GLU 25 13.019 -3.564 7.861 210 HA GLU 25 HA GLU 25 12.002 -6.364 8.227 211 HB2 GLU 25 HB2 GLU 25 14.189 -5.352 6.859 212 HB3 GLU 25 HB3 GLU 25 14.896 -5.858 8.393 213 HG2 GLU 25 HG2 GLU 25 13.020 -7.676 6.887 214 HG3 GLU 25 HG3 GLU 25 14.736 -7.617 6.487 215 H ARG 26 H ARG 26 12.083 -7.255 10.298 216 HA ARG 26 HA ARG 26 13.586 -5.842 12.443 217 HB2 ARG 26 HB2 ARG 26 10.786 -5.562 11.915 218 HB3 ARG 26 HB3 ARG 26 10.962 -6.462 13.421 219 HG2 ARG 26 HG2 ARG 26 12.573 -3.963 12.912 220 HG3 ARG 26 HG3 ARG 26 10.932 -3.871 13.554 221 HD2 ARG 26 HD2 ARG 26 11.775 -4.277 15.619 222 HD3 ARG 26 HD3 ARG 26 12.279 -5.883 15.057 223 HE ARG 26 HE ARG 26 14.044 -3.627 14.308 224 HH11 ARG 26 HH11 ARG 26 14.664 -6.654 14.490 225 HH12 ARG 26 HH12 ARG 26 15.706 -6.674 15.873 226 HH21 ARG 26 HH21 ARG 26 14.814 -3.483 16.925 227 HH22 ARG 26 HH22 ARG 26 15.789 -4.875 17.259 Start of MODEL 17 1 HA ARG 1 HA ARG 1 -14.375 1.968 -7.200 2 HB2 ARG 1 HB2 ARG 1 -15.872 2.542 -9.366 3 HB3 ARG 1 HB3 ARG 1 -17.162 2.428 -8.168 4 HG2 ARG 1 HG2 ARG 1 -16.210 4.148 -6.825 5 HG3 ARG 1 HG3 ARG 1 -14.674 4.078 -7.690 6 HD2 ARG 1 HD2 ARG 1 -17.263 4.842 -9.075 7 HD3 ARG 1 HD3 ARG 1 -16.193 6.040 -8.323 8 HE ARG 1 HE ARG 1 -14.369 4.815 -9.801 9 HH11 ARG 1 HH11 ARG 1 -16.521 3.271 -11.270 10 HH12 ARG 1 HH12 ARG 1 -16.761 4.257 -12.672 11 HH21 ARG 1 HH21 ARG 1 -15.163 7.030 -11.316 12 HH22 ARG 1 HH22 ARG 1 -15.990 6.395 -12.698 13 H SER 2 H SER 2 -14.818 1.707 -5.047 14 HA SER 2 HA SER 2 -17.454 0.838 -4.092 15 HB2 SER 2 HB2 SER 2 -15.141 -0.979 -4.423 16 HB3 SER 2 HB3 SER 2 -15.931 -1.072 -2.852 17 HG SER 2 HG SER 2 -17.172 -1.290 -5.403 18 H ALA 3 H ALA 3 -17.258 0.515 -1.566 19 HA ALA 3 HA ALA 3 -15.598 2.764 -0.532 20 HB1 ALA 3 HB1 ALA 3 -17.824 1.176 0.781 21 HB2 ALA 3 HB2 ALA 3 -18.097 2.609 -0.210 22 HB3 ALA 3 HB3 ALA 3 -17.192 2.740 1.298 23 H LEU 4 H LEU 4 -16.242 -0.707 0.060 24 HA LEU 4 HA LEU 4 -13.995 -0.743 2.033 25 HB2 LEU 4 HB2 LEU 4 -16.536 -2.216 1.591 26 HB3 LEU 4 HB3 LEU 4 -15.194 -3.169 2.225 27 HG LEU 4 HG LEU 4 -15.722 -0.497 3.464 28 HD11 LEU 4 HD11 LEU 4 -17.383 -2.992 3.916 29 HD12 LEU 4 HD12 LEU 4 -17.961 -1.408 3.397 30 HD13 LEU 4 HD13 LEU 4 -17.339 -1.628 5.033 31 HD21 LEU 4 HD21 LEU 4 -13.806 -2.083 4.046 32 HD22 LEU 4 HD22 LEU 4 -15.027 -3.170 4.707 33 HD23 LEU 4 HD23 LEU 4 -14.805 -1.566 5.405 34 H VAL 5 H VAL 5 -14.188 -1.122 -1.198 35 HA VAL 5 HA VAL 5 -12.493 -3.594 -1.275 36 HB VAL 5 HB VAL 5 -14.150 -2.121 -3.351 37 HG11 VAL 5 HG11 VAL 5 -12.143 -4.346 -3.603 38 HG12 VAL 5 HG12 VAL 5 -12.397 -2.954 -4.655 39 HG13 VAL 5 HG13 VAL 5 -13.536 -4.299 -4.684 40 HG21 VAL 5 HG21 VAL 5 -14.401 -4.790 -1.938 41 HG22 VAL 5 HG22 VAL 5 -15.336 -4.377 -3.374 42 HG23 VAL 5 HG23 VAL 5 -15.534 -3.440 -1.893 43 H ASN 6 H ASN 6 -12.772 -0.422 -2.932 44 HA ASN 6 HA ASN 6 -10.075 -0.378 -3.925 45 HB2 ASN 6 HB2 ASN 6 -12.122 1.787 -3.329 46 HB3 ASN 6 HB3 ASN 6 -10.641 2.063 -4.245 47 HD21 ASN 6 HD21 ASN 6 -10.720 1.593 -6.476 48 HD22 ASN 6 HD22 ASN 6 -11.984 0.747 -7.228 49 H SER 7 H SER 7 -11.563 0.916 -0.941 50 HA SER 7 HA SER 7 -9.350 2.402 0.062 51 HB2 SER 7 HB2 SER 7 -11.779 2.211 0.883 52 HB3 SER 7 HB3 SER 7 -11.283 0.727 1.692 53 HG SER 7 HG SER 7 -11.009 2.363 3.147 54 H TYR 8 H TYR 8 -10.229 -1.034 0.585 55 HA TYR 8 HA TYR 8 -7.892 -1.684 2.163 56 HB2 TYR 8 HB2 TYR 8 -9.776 -3.090 2.391 57 HB3 TYR 8 HB3 TYR 8 -10.040 -3.172 0.650 58 HD1 TYR 8 HD1 TYR 8 -7.471 -4.074 3.236 59 HD2 TYR 8 HD2 TYR 8 -9.309 -5.056 -0.519 60 HE1 TYR 8 HE2 TYR 8 -6.135 -6.160 3.128 61 HE2 TYR 8 HE1 TYR 8 -7.974 -7.142 -0.628 62 HH TYR 8 HH TYR 8 -5.647 -7.890 0.418 63 H LEU 9 H LEU 9 -8.697 -2.024 -1.305 64 HA LEU 9 HA LEU 9 -6.335 -3.406 -2.128 65 HB2 LEU 9 HB2 LEU 9 -8.612 -1.974 -3.278 66 HB3 LEU 9 HB3 LEU 9 -7.155 -1.763 -4.242 67 HG LEU 9 HG LEU 9 -8.460 -3.759 -4.945 68 HD11 LEU 9 HD11 LEU 9 -6.598 -5.212 -5.147 69 HD12 LEU 9 HD12 LEU 9 -5.908 -4.676 -3.615 70 HD13 LEU 9 HD13 LEU 9 -5.891 -3.602 -5.014 71 HD21 LEU 9 HD21 LEU 9 -9.165 -4.157 -2.447 72 HD22 LEU 9 HD22 LEU 9 -7.668 -5.087 -2.364 73 HD23 LEU 9 HD23 LEU 9 -8.929 -5.546 -3.508 74 H TRP 10 H TRP 10 -7.027 0.093 -1.846 75 HA TRP 10 HA TRP 10 -4.547 1.016 -2.980 76 HB2 TRP 10 HB2 TRP 10 -6.260 2.608 -2.855 77 HB3 TRP 10 HB3 TRP 10 -6.737 2.113 -1.232 78 HD1 TRP 10 HD1 TRP 10 -3.968 4.060 -3.061 79 HE1 TRP 10 HE1 TRP 10 -2.862 5.676 -1.383 80 HE3 TRP 10 HE3 TRP 10 -6.351 2.648 1.229 81 HZ2 TRP 10 HZ2 TRP 10 -2.977 6.290 1.406 82 HZ3 TRP 10 HZ3 TRP 10 -5.833 3.764 3.380 83 HH2 TRP 10 HH2 TRP 10 -4.151 5.583 3.473 84 H GLN 11 H GLN 11 -5.556 0.492 0.429 85 HA GLN 11 HA GLN 11 -3.185 1.338 1.717 86 HB2 GLN 11 HB2 GLN 11 -5.607 0.176 2.394 87 HB3 GLN 11 HB3 GLN 11 -4.444 -1.071 2.844 88 HG2 GLN 11 HG2 GLN 11 -3.257 1.279 3.746 89 HG3 GLN 11 HG3 GLN 11 -4.968 1.516 4.101 90 HE21 GLN 11 HE21 GLN 11 -2.108 -0.053 5.190 91 HE22 GLN 11 HE22 GLN 11 -2.832 -1.053 6.355 92 H ARG 12 H ARG 12 -3.952 -1.794 0.211 93 HA ARG 12 HA ARG 12 -1.538 -3.149 1.068 94 HB2 ARG 12 HB2 ARG 12 -3.962 -3.741 -0.203 95 HB3 ARG 12 HB3 ARG 12 -2.742 -4.067 -1.434 96 HG2 ARG 12 HG2 ARG 12 -1.593 -5.173 0.811 97 HG3 ARG 12 HG3 ARG 12 -3.306 -5.505 1.072 98 HD2 ARG 12 HD2 ARG 12 -3.487 -6.621 -1.078 99 HD3 ARG 12 HD3 ARG 12 -1.829 -6.147 -1.506 100 HE ARG 12 HE ARG 12 -2.541 -8.079 0.661 101 HH11 ARG 12 HH11 ARG 12 -0.998 -8.610 -1.984 102 HH12 ARG 12 HH12 ARG 12 0.616 -8.761 -1.374 103 HH21 ARG 12 HH21 ARG 12 -0.147 -7.366 1.718 104 HH22 ARG 12 HH22 ARG 12 1.099 -8.058 0.734 105 H TRP 13 H TRP 13 -2.395 -1.158 -1.749 106 HA TRP 13 HA TRP 13 -0.134 -1.813 -3.390 107 HB2 TRP 13 HB2 TRP 13 -1.395 -0.539 -4.768 108 HB3 TRP 13 HB3 TRP 13 -2.442 -0.139 -3.415 109 HD1 TRP 13 HD1 TRP 13 -2.576 2.321 -2.830 110 HE1 TRP 13 HE1 TRP 13 -1.159 4.419 -3.312 111 HE3 TRP 13 HE3 TRP 13 1.380 0.178 -5.236 112 HZ2 TRP 13 HZ2 TRP 13 1.328 5.097 -4.554 113 HZ3 TRP 13 HZ3 TRP 13 3.258 1.569 -6.059 114 HH2 TRP 13 HH2 TRP 13 3.238 4.025 -5.721 115 H GLU 14 H GLU 14 -0.637 0.816 -0.999 116 HA GLU 14 HA GLU 14 2.001 1.965 -1.348 117 HB2 GLU 14 HB2 GLU 14 -0.246 2.126 0.649 118 HB3 GLU 14 HB3 GLU 14 1.296 2.908 1.005 119 HG2 GLU 14 HG2 GLU 14 0.993 3.799 -1.497 120 HG3 GLU 14 HG3 GLU 14 -0.709 3.550 -1.112 121 H ASN 15 H ASN 15 0.619 -0.416 0.928 122 HA ASN 15 HA ASN 15 2.840 -0.720 2.675 123 HB2 ASN 15 HB2 ASN 15 0.374 -1.767 2.505 124 HB3 ASN 15 HB3 ASN 15 1.263 -3.109 1.784 125 HD21 ASN 15 HD21 ASN 15 3.561 -3.351 3.228 126 HD22 ASN 15 HD22 ASN 15 3.245 -3.538 4.884 127 H TRP 16 H TRP 16 2.076 -2.459 -0.367 128 HA TRP 16 HA TRP 16 4.522 -4.005 -0.420 129 HB2 TRP 16 HB2 TRP 16 2.754 -4.860 -1.709 130 HB3 TRP 16 HB3 TRP 16 2.300 -3.268 -2.318 131 HD1 TRP 16 HD1 TRP 16 4.952 -6.004 -2.787 132 HE1 TRP 16 HE1 TRP 16 6.042 -5.703 -5.104 133 HE3 TRP 16 HE3 TRP 16 2.757 -1.623 -4.233 134 HZ2 TRP 16 HZ2 TRP 16 5.991 -3.850 -7.279 135 HZ3 TRP 16 HZ3 TRP 16 3.297 -0.615 -6.431 136 HH2 TRP 16 HH2 TRP 16 4.909 -1.721 -7.954 137 H PHE 17 H PHE 17 3.505 -0.935 -1.946 138 HA PHE 17 HA PHE 17 5.793 -0.434 -3.540 139 HB2 PHE 17 HB2 PHE 17 3.614 0.790 -3.542 140 HB3 PHE 17 HB3 PHE 17 4.050 1.518 -1.996 141 HD1 PHE 17 HD1 PHE 17 5.513 1.012 -5.420 142 HD2 PHE 17 HD2 PHE 17 5.067 3.611 -2.029 143 HE1 PHE 17 HE2 PHE 17 6.775 2.782 -6.611 144 HE2 PHE 17 HE1 PHE 17 6.326 5.382 -3.222 145 HZ PHE 17 HZ PHE 17 7.182 4.969 -5.512 146 H TRP 18 H TRP 18 5.132 0.883 -0.251 147 HA TRP 18 HA TRP 18 7.717 2.011 0.166 148 HB2 TRP 18 HB2 TRP 18 5.676 0.868 2.102 149 HB3 TRP 18 HB3 TRP 18 7.025 1.900 2.573 150 HD1 TRP 18 HD1 TRP 18 3.666 2.407 2.455 151 HE1 TRP 18 HE1 TRP 18 2.923 4.682 1.499 152 HE3 TRP 18 HE3 TRP 18 7.929 3.767 -0.011 153 HZ2 TRP 18 HZ2 TRP 18 3.994 6.798 -0.092 154 HZ3 TRP 18 HZ3 TRP 18 8.039 5.918 -1.234 155 HH2 TRP 18 HH2 TRP 18 6.079 7.435 -1.277 156 H ASN 19 H ASN 19 6.486 -1.272 0.803 157 HA ASN 19 HA ASN 19 8.633 -2.320 2.321 158 HB2 ASN 19 HB2 ASN 19 6.505 -3.325 0.504 159 HB3 ASN 19 HB3 ASN 19 7.835 -4.437 0.820 160 HD21 ASN 19 HD21 ASN 19 6.993 -5.863 2.381 161 HD22 ASN 19 HD22 ASN 19 6.269 -5.369 3.834 162 H VAL 20 H VAL 20 8.279 -2.182 -1.254 163 HA VAL 20 HA VAL 20 11.037 -3.234 -1.578 164 HB VAL 20 HB VAL 20 10.416 -3.310 -3.967 165 HG11 VAL 20 HG11 VAL 20 9.647 -5.074 -2.281 166 HG12 VAL 20 HG12 VAL 20 8.763 -5.014 -3.806 167 HG13 VAL 20 HG13 VAL 20 8.063 -4.302 -2.352 168 HG21 VAL 20 HG21 VAL 20 8.164 -2.612 -4.689 169 HG22 VAL 20 HG22 VAL 20 9.058 -1.240 -4.036 170 HG23 VAL 20 HG23 VAL 20 7.816 -2.025 -3.064 171 H THR 21 H THR 21 9.250 -0.192 -1.979 172 HA THR 21 HA THR 21 11.319 1.213 -3.431 173 HB THR 21 HB THR 21 9.017 2.123 -1.672 174 HG1 THR 21 HG1 THR 21 9.344 1.815 -4.475 175 HG21 THR 21 HG21 THR 21 10.839 3.669 -3.528 176 HG22 THR 21 HG22 THR 21 10.545 3.966 -1.815 177 HG23 THR 21 HG23 THR 21 9.271 4.274 -2.996 178 H LEU 22 H LEU 22 10.673 0.674 0.002 179 HA LEU 22 HA LEU 22 13.021 2.379 0.713 180 HB2 LEU 22 HB2 LEU 22 10.712 1.246 2.333 181 HB3 LEU 22 HB3 LEU 22 11.996 2.253 2.998 182 HG LEU 22 HG LEU 22 10.506 3.270 0.608 183 HD11 LEU 22 HD11 LEU 22 9.442 3.621 3.416 184 HD12 LEU 22 HD12 LEU 22 8.835 2.367 2.334 185 HD13 LEU 22 HD13 LEU 22 8.668 4.067 1.896 186 HD21 LEU 22 HD21 LEU 22 12.395 4.543 1.500 187 HD22 LEU 22 HD22 LEU 22 11.681 4.518 3.113 188 HD23 LEU 22 HD23 LEU 22 10.899 5.421 1.816 189 H ARG 23 H ARG 23 12.042 -0.011 2.985 190 HA ARG 23 HA ARG 23 13.440 -2.330 2.199 191 HB2 ARG 23 HB2 ARG 23 15.443 -1.028 2.031 192 HB3 ARG 23 HB3 ARG 23 15.133 -0.213 3.557 193 HG2 ARG 23 HG2 ARG 23 15.253 -3.143 3.793 194 HG3 ARG 23 HG3 ARG 23 16.760 -2.416 3.238 195 HD2 ARG 23 HD2 ARG 23 16.558 -0.776 5.182 196 HD3 ARG 23 HD3 ARG 23 15.251 -1.807 5.797 197 HE ARG 23 HE ARG 23 18.091 -2.647 5.476 198 HH11 ARG 23 HH11 ARG 23 16.207 -4.897 4.897 199 HH12 ARG 23 HH12 ARG 23 15.984 -5.604 6.462 200 HH21 ARG 23 HH21 ARG 23 17.213 -2.836 8.172 201 HH22 ARG 23 HH22 ARG 23 16.555 -4.432 8.324 202 HA PRO 24 HA PRO 24 12.903 -2.498 6.920 203 HB2 PRO 24 HB2 PRO 24 12.442 -0.216 8.346 204 HB3 PRO 24 HB3 PRO 24 14.073 -0.792 7.955 205 HG2 PRO 24 HG2 PRO 24 12.511 1.411 6.753 206 HG3 PRO 24 HG3 PRO 24 14.258 1.247 6.966 207 HD2 PRO 24 HD2 PRO 24 12.863 0.843 4.593 208 HD3 PRO 24 HD3 PRO 24 14.515 0.298 4.939 209 H GLU 25 H GLU 25 11.000 -1.769 8.666 210 HA GLU 25 HA GLU 25 8.481 -2.171 7.229 211 HB2 GLU 25 HB2 GLU 25 9.497 -2.090 10.036 212 HB3 GLU 25 HB3 GLU 25 7.775 -1.783 9.807 213 HG2 GLU 25 HG2 GLU 25 7.569 -4.043 9.813 214 HG3 GLU 25 HG3 GLU 25 8.184 -3.952 8.163 215 H ARG 26 H ARG 26 6.560 -0.720 7.748 216 HA ARG 26 HA ARG 26 7.392 2.158 7.970 217 HB2 ARG 26 HB2 ARG 26 6.499 0.894 5.730 218 HB3 ARG 26 HB3 ARG 26 4.965 1.421 6.420 219 HG2 ARG 26 HG2 ARG 26 7.263 3.354 6.237 220 HG3 ARG 26 HG3 ARG 26 6.267 3.037 4.817 221 HD2 ARG 26 HD2 ARG 26 4.872 4.638 5.653 222 HD3 ARG 26 HD3 ARG 26 4.384 3.410 6.839 223 HE ARG 26 HE ARG 26 6.151 4.291 8.351 224 HH11 ARG 26 HH11 ARG 26 7.500 5.778 5.956 225 HH12 ARG 26 HH12 ARG 26 7.166 7.419 6.398 226 HH21 ARG 26 HH21 ARG 26 4.764 6.572 8.763 227 HH22 ARG 26 HH22 ARG 26 5.612 7.870 7.992 Start of MODEL 18 1 HA ARG 1 HA ARG 1 -17.357 -1.185 -6.209 2 HB2 ARG 1 HB2 ARG 1 -15.972 -2.997 -7.405 3 HB3 ARG 1 HB3 ARG 1 -15.680 -3.675 -5.803 4 HG2 ARG 1 HG2 ARG 1 -17.939 -4.207 -5.473 5 HG3 ARG 1 HG3 ARG 1 -18.489 -3.044 -6.678 6 HD2 ARG 1 HD2 ARG 1 -17.784 -4.433 -8.494 7 HD3 ARG 1 HD3 ARG 1 -16.836 -5.478 -7.417 8 HE ARG 1 HE ARG 1 -18.863 -6.492 -6.661 9 HH11 ARG 1 HH11 ARG 1 -19.788 -6.244 -9.475 10 HH12 ARG 1 HH12 ARG 1 -21.309 -5.433 -9.306 11 HH21 ARG 1 HH21 ARG 1 -20.664 -4.351 -6.065 12 HH22 ARG 1 HH22 ARG 1 -21.808 -4.360 -7.365 13 H SER 2 H SER 2 -18.621 -2.006 -4.386 14 HA SER 2 HA SER 2 -19.142 -2.190 -2.093 15 HB2 SER 2 HB2 SER 2 -17.006 -3.864 -2.710 16 HB3 SER 2 HB3 SER 2 -16.441 -2.995 -1.285 17 HG SER 2 HG SER 2 -18.388 -4.895 -1.536 18 H ALA 3 H ALA 3 -17.688 -1.672 0.213 19 HA ALA 3 HA ALA 3 -16.890 1.200 -0.159 20 HB1 ALA 3 HB1 ALA 3 -18.227 -0.320 2.098 21 HB2 ALA 3 HB2 ALA 3 -18.941 0.936 1.085 22 HB3 ALA 3 HB3 ALA 3 -17.683 1.352 2.248 23 H LEU 4 H LEU 4 -16.260 -1.642 1.962 24 HA LEU 4 HA LEU 4 -13.651 -0.465 2.757 25 HB2 LEU 4 HB2 LEU 4 -15.656 -2.236 3.852 26 HB3 LEU 4 HB3 LEU 4 -14.082 -3.026 3.900 27 HG LEU 4 HG LEU 4 -14.564 -1.672 5.950 28 HD11 LEU 4 HD11 LEU 4 -12.376 -0.068 5.170 29 HD12 LEU 4 HD12 LEU 4 -12.222 -1.569 4.259 30 HD13 LEU 4 HD13 LEU 4 -12.317 -1.612 6.019 31 HD21 LEU 4 HD21 LEU 4 -14.755 0.696 5.857 32 HD22 LEU 4 HD22 LEU 4 -15.819 0.111 4.578 33 HD23 LEU 4 HD23 LEU 4 -14.227 0.753 4.175 34 H VAL 5 H VAL 5 -14.177 -1.630 -0.028 35 HA VAL 5 HA VAL 5 -12.225 -3.899 0.011 36 HB VAL 5 HB VAL 5 -14.338 -2.934 -1.941 37 HG11 VAL 5 HG11 VAL 5 -12.732 -3.688 -3.453 38 HG12 VAL 5 HG12 VAL 5 -13.594 -5.187 -3.106 39 HG13 VAL 5 HG13 VAL 5 -12.055 -4.851 -2.312 40 HG21 VAL 5 HG21 VAL 5 -13.980 -5.602 -0.543 41 HG22 VAL 5 HG22 VAL 5 -15.387 -5.061 -1.458 42 HG23 VAL 5 HG23 VAL 5 -14.992 -4.300 0.084 43 H ASN 6 H ASN 6 -13.035 -0.998 -1.957 44 HA ASN 6 HA ASN 6 -10.520 -0.919 -3.361 45 HB2 ASN 6 HB2 ASN 6 -12.991 0.377 -3.409 46 HB3 ASN 6 HB3 ASN 6 -11.862 1.656 -2.956 47 HD21 ASN 6 HD21 ASN 6 -10.030 2.084 -4.464 48 HD22 ASN 6 HD22 ASN 6 -10.149 1.618 -6.092 49 H SER 7 H SER 7 -11.639 0.555 -0.312 50 HA SER 7 HA SER 7 -9.453 2.338 0.143 51 HB2 SER 7 HB2 SER 7 -10.156 1.920 2.580 52 HB3 SER 7 HB3 SER 7 -11.431 2.461 1.494 53 HG SER 7 HG SER 7 -11.577 0.402 2.970 54 H TYR 8 H TYR 8 -9.932 -1.062 1.164 55 HA TYR 8 HA TYR 8 -7.327 -1.390 2.365 56 HB2 TYR 8 HB2 TYR 8 -9.009 -2.926 2.994 57 HB3 TYR 8 HB3 TYR 8 -9.536 -3.172 1.330 58 HD1 TYR 8 HD1 TYR 8 -6.598 -3.711 3.592 59 HD2 TYR 8 HD2 TYR 8 -8.740 -5.008 0.102 60 HE1 TYR 8 HE2 TYR 8 -5.097 -5.676 3.401 61 HE2 TYR 8 HE1 TYR 8 -7.240 -6.972 -0.089 62 HH TYR 8 HH TYR 8 -5.697 -8.305 1.887 63 H LEU 9 H LEU 9 -8.627 -1.938 -0.908 64 HA LEU 9 HA LEU 9 -6.407 -3.273 -2.085 65 HB2 LEU 9 HB2 LEU 9 -8.714 -1.587 -2.955 66 HB3 LEU 9 HB3 LEU 9 -7.432 -1.845 -4.136 67 HG LEU 9 HG LEU 9 -8.809 -4.075 -2.612 68 HD11 LEU 9 HD11 LEU 9 -9.893 -4.543 -4.830 69 HD12 LEU 9 HD12 LEU 9 -9.256 -3.006 -5.414 70 HD13 LEU 9 HD13 LEU 9 -10.423 -3.032 -4.093 71 HD21 LEU 9 HD21 LEU 9 -6.828 -3.989 -4.907 72 HD22 LEU 9 HD22 LEU 9 -7.749 -5.434 -4.487 73 HD23 LEU 9 HD23 LEU 9 -6.611 -4.745 -3.328 74 H TRP 10 H TRP 10 -7.110 0.230 -1.805 75 HA TRP 10 HA TRP 10 -4.776 1.178 -3.175 76 HB2 TRP 10 HB2 TRP 10 -6.509 2.735 -2.823 77 HB3 TRP 10 HB3 TRP 10 -6.731 2.249 -1.143 78 HD1 TRP 10 HD1 TRP 10 -4.173 4.103 -3.362 79 HE1 TRP 10 HE1 TRP 10 -2.903 5.797 -1.890 80 HE3 TRP 10 HE3 TRP 10 -6.155 2.962 1.202 81 HZ2 TRP 10 HZ2 TRP 10 -2.751 6.566 0.861 82 HZ3 TRP 10 HZ3 TRP 10 -5.430 4.188 3.230 83 HH2 TRP 10 HH2 TRP 10 -3.732 5.987 3.065 84 H GLN 11 H GLN 11 -5.409 0.575 0.301 85 HA GLN 11 HA GLN 11 -2.907 1.395 1.355 86 HB2 GLN 11 HB2 GLN 11 -5.235 -0.196 2.115 87 HB3 GLN 11 HB3 GLN 11 -3.755 -0.842 2.825 88 HG2 GLN 11 HG2 GLN 11 -3.718 2.030 3.022 89 HG3 GLN 11 HG3 GLN 11 -5.235 1.420 3.684 90 HE21 GLN 11 HE21 GLN 11 -4.835 -0.683 5.149 91 HE22 GLN 11 HE22 GLN 11 -3.527 -0.563 6.223 92 H ARG 12 H ARG 12 -3.896 -1.728 -0.053 93 HA ARG 12 HA ARG 12 -1.500 -3.200 0.498 94 HB2 ARG 12 HB2 ARG 12 -3.836 -3.948 -0.299 95 HB3 ARG 12 HB3 ARG 12 -3.296 -3.504 -1.918 96 HG2 ARG 12 HG2 ARG 12 -1.393 -5.053 -1.724 97 HG3 ARG 12 HG3 ARG 12 -1.904 -5.489 -0.093 98 HD2 ARG 12 HD2 ARG 12 -2.883 -7.212 -1.344 99 HD3 ARG 12 HD3 ARG 12 -4.207 -6.031 -1.318 100 HE ARG 12 HE ARG 12 -3.213 -5.184 -3.534 101 HH11 ARG 12 HH11 ARG 12 -0.946 -7.275 -3.326 102 HH12 ARG 12 HH12 ARG 12 -1.498 -8.453 -4.469 103 HH21 ARG 12 HH21 ARG 12 -4.733 -7.185 -4.605 104 HH22 ARG 12 HH22 ARG 12 -3.651 -8.400 -5.198 105 H TRP 13 H TRP 13 -2.446 -1.138 -2.269 106 HA TRP 13 HA TRP 13 -0.188 -1.698 -3.938 107 HB2 TRP 13 HB2 TRP 13 -1.498 -0.412 -5.260 108 HB3 TRP 13 HB3 TRP 13 -2.509 -0.030 -3.875 109 HD1 TRP 13 HD1 TRP 13 -2.642 2.426 -3.288 110 HE1 TRP 13 HE1 TRP 13 -1.226 4.527 -3.760 111 HE3 TRP 13 HE3 TRP 13 1.305 0.300 -5.731 112 HZ2 TRP 13 HZ2 TRP 13 1.254 5.215 -5.008 113 HZ3 TRP 13 HZ3 TRP 13 3.178 1.700 -6.553 114 HH2 TRP 13 HH2 TRP 13 3.158 4.152 -6.193 115 H GLU 14 H GLU 14 -0.699 0.867 -1.485 116 HA GLU 14 HA GLU 14 1.959 2.007 -1.810 117 HB2 GLU 14 HB2 GLU 14 -0.356 2.221 0.093 118 HB3 GLU 14 HB3 GLU 14 1.190 2.937 0.551 119 HG2 GLU 14 HG2 GLU 14 1.012 3.838 -1.994 120 HG3 GLU 14 HG3 GLU 14 -0.703 3.735 -1.594 121 H ASN 15 H ASN 15 0.478 -0.345 0.418 122 HA ASN 15 HA ASN 15 2.565 -0.698 2.284 123 HB2 ASN 15 HB2 ASN 15 0.177 -1.710 2.082 124 HB3 ASN 15 HB3 ASN 15 0.947 -2.964 1.110 125 HD21 ASN 15 HD21 ASN 15 2.899 -4.068 2.222 126 HD22 ASN 15 HD22 ASN 15 2.808 -4.294 3.901 127 H TRP 16 H TRP 16 2.138 -2.224 -0.932 128 HA TRP 16 HA TRP 16 4.545 -3.839 -0.779 129 HB2 TRP 16 HB2 TRP 16 2.982 -4.602 -2.339 130 HB3 TRP 16 HB3 TRP 16 2.552 -2.971 -2.854 131 HD1 TRP 16 HD1 TRP 16 5.477 -5.478 -3.156 132 HE1 TRP 16 HE1 TRP 16 6.713 -5.013 -5.369 133 HE3 TRP 16 HE3 TRP 16 2.927 -1.345 -4.738 134 HZ2 TRP 16 HZ2 TRP 16 6.635 -3.134 -7.522 135 HZ3 TRP 16 HZ3 TRP 16 3.530 -0.239 -6.871 136 HH2 TRP 16 HH2 TRP 16 5.379 -1.126 -8.264 137 H PHE 17 H PHE 17 3.762 -0.692 -2.298 138 HA PHE 17 HA PHE 17 6.254 -0.120 -3.511 139 HB2 PHE 17 HB2 PHE 17 4.150 1.160 -3.785 140 HB3 PHE 17 HB3 PHE 17 4.269 1.713 -2.115 141 HD1 PHE 17 HD1 PHE 17 5.992 1.791 -5.421 142 HD2 PHE 17 HD2 PHE 17 5.626 3.572 -1.528 143 HE1 PHE 17 HE1 PHE 17 7.443 3.669 -6.142 144 HE2 PHE 17 HE2 PHE 17 7.076 5.448 -2.249 145 HZ PHE 17 HZ PHE 17 7.985 5.497 -4.556 146 H TRP 18 H TRP 18 5.136 0.590 -0.182 147 HA TRP 18 HA TRP 18 7.655 1.769 0.664 148 HB2 TRP 18 HB2 TRP 18 5.215 0.667 2.089 149 HB3 TRP 18 HB3 TRP 18 6.547 1.448 2.938 150 HD1 TRP 18 HD1 TRP 18 3.310 2.315 1.853 151 HE1 TRP 18 HE1 TRP 18 3.074 4.805 1.222 152 HE3 TRP 18 HE3 TRP 18 8.238 3.575 1.390 153 HZ2 TRP 18 HZ2 TRP 18 4.757 7.033 0.607 154 HZ3 TRP 18 HZ3 TRP 18 8.893 5.887 0.782 155 HH2 TRP 18 HH2 TRP 18 7.159 7.615 0.391 156 H ASN 19 H ASN 19 6.210 -1.486 0.851 157 HA ASN 19 HA ASN 19 7.995 -2.763 2.627 158 HB2 ASN 19 HB2 ASN 19 6.036 -3.439 0.625 159 HB3 ASN 19 HB3 ASN 19 7.416 -4.521 0.458 160 HD21 ASN 19 HD21 ASN 19 4.668 -5.114 1.559 161 HD22 ASN 19 HD22 ASN 19 4.937 -5.714 3.124 162 H VAL 20 H VAL 20 8.371 -2.238 -0.898 163 HA VAL 20 HA VAL 20 11.033 -3.489 -0.904 164 HB VAL 20 HB VAL 20 10.940 -2.950 -3.313 165 HG11 VAL 20 HG11 VAL 20 8.160 -3.856 -2.662 166 HG12 VAL 20 HG12 VAL 20 9.520 -4.830 -2.103 167 HG13 VAL 20 HG13 VAL 20 9.310 -4.516 -3.826 168 HG21 VAL 20 HG21 VAL 20 9.818 -0.730 -3.066 169 HG22 VAL 20 HG22 VAL 20 8.320 -1.563 -2.655 170 HG23 VAL 20 HG23 VAL 20 9.025 -1.760 -4.258 171 H THR 21 H THR 21 9.712 -0.217 -0.751 172 HA THR 21 HA THR 21 12.251 1.093 -1.390 173 HB THR 21 HB THR 21 9.654 2.099 -0.180 174 HG1 THR 21 HG1 THR 21 9.054 1.617 -2.146 175 HG21 THR 21 HG21 THR 21 12.052 3.530 -1.346 176 HG22 THR 21 HG22 THR 21 11.375 3.708 0.273 177 HG23 THR 21 HG23 THR 21 10.483 4.304 -1.126 178 H LEU 22 H LEU 22 10.670 -0.063 1.515 179 HA LEU 22 HA LEU 22 12.499 1.470 3.284 180 HB2 LEU 22 HB2 LEU 22 10.182 -0.422 3.759 181 HB3 LEU 22 HB3 LEU 22 11.055 0.406 5.048 182 HG LEU 22 HG LEU 22 9.663 1.830 2.758 183 HD11 LEU 22 HD11 LEU 22 7.973 2.439 4.488 184 HD12 LEU 22 HD12 LEU 22 8.771 1.344 5.617 185 HD13 LEU 22 HD13 LEU 22 8.007 0.706 4.161 186 HD21 LEU 22 HD21 LEU 22 11.180 2.680 5.211 187 HD22 LEU 22 HD22 LEU 22 9.887 3.708 4.593 188 HD23 LEU 22 HD23 LEU 22 11.270 3.321 3.570 189 H ARG 23 H ARG 23 12.616 -1.468 1.639 190 HA ARG 23 HA ARG 23 13.519 -3.427 3.407 191 HB2 ARG 23 HB2 ARG 23 13.781 -2.744 0.584 192 HB3 ARG 23 HB3 ARG 23 15.206 -3.596 1.175 193 HG2 ARG 23 HG2 ARG 23 14.068 -5.542 1.505 194 HG3 ARG 23 HG3 ARG 23 12.623 -4.714 2.085 195 HD2 ARG 23 HD2 ARG 23 11.657 -5.009 0.062 196 HD3 ARG 23 HD3 ARG 23 12.958 -4.065 -0.692 197 HE ARG 23 HE ARG 23 13.071 -7.023 -0.234 198 HH11 ARG 23 HH11 ARG 23 15.718 -5.567 -0.443 199 HH12 ARG 23 HH12 ARG 23 16.067 -5.717 -2.134 200 HH21 ARG 23 HH21 ARG 23 12.813 -6.593 -2.992 201 HH22 ARG 23 HH22 ARG 23 14.415 -6.305 -3.583 202 HA PRO 24 HA PRO 24 18.000 -1.739 3.274 203 HB2 PRO 24 HB2 PRO 24 18.448 0.724 2.164 204 HB3 PRO 24 HB3 PRO 24 18.512 -0.784 1.230 205 HG2 PRO 24 HG2 PRO 24 16.336 1.237 1.412 206 HG3 PRO 24 HG3 PRO 24 16.908 0.316 0.013 207 HD2 PRO 24 HD2 PRO 24 14.649 -0.309 1.403 208 HD3 PRO 24 HD3 PRO 24 15.621 -1.504 0.518 209 H GLU 25 H GLU 25 17.630 -1.468 5.514 210 HA GLU 25 HA GLU 25 16.360 0.930 6.608 211 HB2 GLU 25 HB2 GLU 25 16.772 -0.173 8.719 212 HB3 GLU 25 HB3 GLU 25 16.331 -1.423 7.560 213 HG2 GLU 25 HG2 GLU 25 19.222 -0.875 7.631 214 HG3 GLU 25 HG3 GLU 25 18.583 -1.469 9.163 215 H ARG 26 H ARG 26 17.952 1.654 8.743 216 HA ARG 26 HA ARG 26 20.470 2.663 7.455 217 HB2 ARG 26 HB2 ARG 26 18.284 4.139 8.037 218 HB3 ARG 26 HB3 ARG 26 19.099 4.216 9.600 219 HG2 ARG 26 HG2 ARG 26 20.345 5.884 8.723 220 HG3 ARG 26 HG3 ARG 26 21.156 4.639 7.773 221 HD2 ARG 26 HD2 ARG 26 18.584 5.941 6.834 222 HD3 ARG 26 HD3 ARG 26 20.182 6.596 6.428 223 HE ARG 26 HE ARG 26 20.469 3.945 5.782 224 HH11 ARG 26 HH11 ARG 26 19.778 6.457 3.958 225 HH12 ARG 26 HH12 ARG 26 18.596 5.722 2.927 226 HH21 ARG 26 HH21 ARG 26 18.205 2.913 4.935 227 HH22 ARG 26 HH22 ARG 26 17.700 3.710 3.483 Start of MODEL 19 1 HA ARG 1 HA ARG 1 -19.924 2.997 -4.557 2 HB2 ARG 1 HB2 ARG 1 -19.861 5.235 -5.813 3 HB3 ARG 1 HB3 ARG 1 -18.175 5.353 -5.306 4 HG2 ARG 1 HG2 ARG 1 -17.805 3.070 -6.340 5 HG3 ARG 1 HG3 ARG 1 -19.430 3.190 -7.017 6 HD2 ARG 1 HD2 ARG 1 -18.019 4.010 -8.751 7 HD3 ARG 1 HD3 ARG 1 -18.623 5.484 -7.968 8 HE ARG 1 HE ARG 1 -16.491 5.623 -6.735 9 HH11 ARG 1 HH11 ARG 1 -15.693 5.598 -9.630 10 HH12 ARG 1 HH12 ARG 1 -14.438 4.405 -9.648 11 HH21 ARG 1 HH21 ARG 1 -15.309 3.057 -6.562 12 HH22 ARG 1 HH22 ARG 1 -14.220 2.963 -7.908 13 H SER 2 H SER 2 -18.297 1.485 -4.280 14 HA SER 2 HA SER 2 -16.433 0.428 -3.312 15 HB2 SER 2 HB2 SER 2 -15.325 3.217 -3.765 16 HB3 SER 2 HB3 SER 2 -14.356 1.768 -3.498 17 HG SER 2 HG SER 2 -15.134 0.925 -5.406 18 H ALA 3 H ALA 3 -14.819 2.967 -1.812 19 HA ALA 3 HA ALA 3 -14.689 3.779 0.397 20 HB1 ALA 3 HB1 ALA 3 -17.242 2.389 1.120 21 HB2 ALA 3 HB2 ALA 3 -17.315 3.705 -0.052 22 HB3 ALA 3 HB3 ALA 3 -16.681 4.000 1.566 23 H LEU 4 H LEU 4 -16.049 0.459 0.224 24 HA LEU 4 HA LEU 4 -14.073 -0.354 2.328 25 HB2 LEU 4 HB2 LEU 4 -16.856 -1.247 1.570 26 HB3 LEU 4 HB3 LEU 4 -15.806 -2.286 2.533 27 HG LEU 4 HG LEU 4 -16.097 0.571 3.373 28 HD11 LEU 4 HD11 LEU 4 -18.174 -1.587 3.859 29 HD12 LEU 4 HD12 LEU 4 -18.415 -0.099 2.943 30 HD13 LEU 4 HD13 LEU 4 -18.125 -0.028 4.681 31 HD21 LEU 4 HD21 LEU 4 -15.868 -2.085 4.827 32 HD22 LEU 4 HD22 LEU 4 -15.916 -0.507 5.612 33 HD23 LEU 4 HD23 LEU 4 -14.562 -0.929 4.564 34 H VAL 5 H VAL 5 -14.233 -0.347 -0.919 35 HA VAL 5 HA VAL 5 -13.199 -3.153 -1.213 36 HB VAL 5 HB VAL 5 -14.574 -1.268 -3.165 37 HG11 VAL 5 HG11 VAL 5 -12.867 -2.651 -4.297 38 HG12 VAL 5 HG12 VAL 5 -14.494 -3.168 -4.743 39 HG13 VAL 5 HG13 VAL 5 -13.563 -4.101 -3.573 40 HG21 VAL 5 HG21 VAL 5 -15.436 -3.905 -1.927 41 HG22 VAL 5 HG22 VAL 5 -16.360 -2.982 -3.113 42 HG23 VAL 5 HG23 VAL 5 -16.075 -2.315 -1.506 43 H ASN 6 H ASN 6 -12.827 0.198 -2.436 44 HA ASN 6 HA ASN 6 -10.190 -0.370 -3.597 45 HB2 ASN 6 HB2 ASN 6 -12.261 1.532 -3.863 46 HB3 ASN 6 HB3 ASN 6 -10.865 2.433 -3.270 47 HD21 ASN 6 HD21 ASN 6 -12.185 0.745 -6.031 48 HD22 ASN 6 HD22 ASN 6 -10.863 0.998 -7.065 49 H SER 7 H SER 7 -11.470 1.179 -0.656 50 HA SER 7 HA SER 7 -9.182 2.506 0.316 51 HB2 SER 7 HB2 SER 7 -11.478 1.015 1.578 52 HB3 SER 7 HB3 SER 7 -10.240 1.755 2.588 53 HG SER 7 HG SER 7 -12.248 2.998 1.811 54 H TYR 8 H TYR 8 -10.096 -0.928 0.809 55 HA TYR 8 HA TYR 8 -7.684 -1.624 2.256 56 HB2 TYR 8 HB2 TYR 8 -9.597 -2.993 2.568 57 HB3 TYR 8 HB3 TYR 8 -9.911 -3.095 0.837 58 HD1 TYR 8 HD1 TYR 8 -7.299 -3.988 3.377 59 HD2 TYR 8 HD2 TYR 8 -9.185 -4.975 -0.355 60 HE1 TYR 8 HE1 TYR 8 -5.963 -6.073 3.252 61 HE2 TYR 8 HE2 TYR 8 -7.850 -7.062 -0.476 62 HH TYR 8 HH TYR 8 -6.606 -8.572 1.686 63 H LEU 9 H LEU 9 -8.723 -1.954 -1.148 64 HA LEU 9 HA LEU 9 -6.448 -3.336 -2.164 65 HB2 LEU 9 HB2 LEU 9 -8.666 -1.624 -3.166 66 HB3 LEU 9 HB3 LEU 9 -7.286 -1.797 -4.246 67 HG LEU 9 HG LEU 9 -8.731 -4.130 -2.958 68 HD11 LEU 9 HD11 LEU 9 -10.227 -2.980 -4.518 69 HD12 LEU 9 HD12 LEU 9 -9.676 -4.495 -5.233 70 HD13 LEU 9 HD13 LEU 9 -8.965 -2.966 -5.752 71 HD21 LEU 9 HD21 LEU 9 -6.561 -4.853 -3.523 72 HD22 LEU 9 HD22 LEU 9 -6.492 -3.828 -4.956 73 HD23 LEU 9 HD23 LEU 9 -7.501 -5.275 -4.954 74 H TRP 10 H TRP 10 -7.085 0.166 -1.836 75 HA TRP 10 HA TRP 10 -4.671 1.113 -3.045 76 HB2 TRP 10 HB2 TRP 10 -6.442 2.646 -2.724 77 HB3 TRP 10 HB3 TRP 10 -6.684 2.153 -1.049 78 HD1 TRP 10 HD1 TRP 10 -4.030 3.957 -3.207 79 HE1 TRP 10 HE1 TRP 10 -2.816 5.674 -1.713 80 HE3 TRP 10 HE3 TRP 10 -6.245 2.940 1.274 81 HZ2 TRP 10 HZ2 TRP 10 -2.793 6.503 1.025 82 HZ3 TRP 10 HZ3 TRP 10 -5.612 4.205 3.307 83 HH2 TRP 10 HH2 TRP 10 -3.888 5.984 3.189 84 H GLN 11 H GLN 11 -5.451 0.390 0.389 85 HA GLN 11 HA GLN 11 -2.960 1.175 1.525 86 HB2 GLN 11 HB2 GLN 11 -5.140 -0.789 2.215 87 HB3 GLN 11 HB3 GLN 11 -3.699 -0.685 3.228 88 HG2 GLN 11 HG2 GLN 11 -4.106 1.830 3.332 89 HG3 GLN 11 HG3 GLN 11 -5.681 1.514 2.606 90 HE21 GLN 11 HE21 GLN 11 -7.032 -0.228 3.850 91 HE22 GLN 11 HE22 GLN 11 -6.931 -0.195 5.543 92 H ARG 12 H ARG 12 -3.984 -1.948 0.124 93 HA ARG 12 HA ARG 12 -1.612 -3.438 0.725 94 HB2 ARG 12 HB2 ARG 12 -4.019 -3.617 -0.956 95 HB3 ARG 12 HB3 ARG 12 -2.629 -4.451 -1.649 96 HG2 ARG 12 HG2 ARG 12 -2.961 -4.904 1.241 97 HG3 ARG 12 HG3 ARG 12 -4.297 -5.513 0.265 98 HD2 ARG 12 HD2 ARG 12 -3.010 -7.140 -0.713 99 HD3 ARG 12 HD3 ARG 12 -1.580 -6.092 -0.796 100 HE ARG 12 HE ARG 12 -2.270 -6.743 1.950 101 HH11 ARG 12 HH11 ARG 12 0.526 -6.511 0.855 102 HH12 ARG 12 HH12 ARG 12 1.064 -8.157 0.899 103 HH21 ARG 12 HH21 ARG 12 -2.138 -9.467 1.242 104 HH22 ARG 12 HH22 ARG 12 -0.451 -9.837 1.118 105 H TRP 13 H TRP 13 -2.481 -1.385 -2.071 106 HA TRP 13 HA TRP 13 -0.202 -1.979 -3.697 107 HB2 TRP 13 HB2 TRP 13 -1.507 -0.711 -5.038 108 HB3 TRP 13 HB3 TRP 13 -2.497 -0.256 -3.660 109 HD1 TRP 13 HD1 TRP 13 -2.565 2.224 -3.178 110 HE1 TRP 13 HE1 TRP 13 -1.076 4.261 -3.706 111 HE3 TRP 13 HE3 TRP 13 1.336 -0.111 -5.494 112 HZ2 TRP 13 HZ2 TRP 13 1.437 4.825 -4.950 113 HZ3 TRP 13 HZ3 TRP 13 3.263 1.197 -6.343 114 HH2 TRP 13 HH2 TRP 13 3.317 3.661 -6.074 115 H GLU 14 H GLU 14 -0.721 0.608 -1.268 116 HA GLU 14 HA GLU 14 1.945 1.725 -1.572 117 HB2 GLU 14 HB2 GLU 14 -0.359 1.960 0.353 118 HB3 GLU 14 HB3 GLU 14 1.182 2.733 0.731 119 HG2 GLU 14 HG2 GLU 14 0.906 3.517 -1.844 120 HG3 GLU 14 HG3 GLU 14 -0.793 3.385 -1.392 121 H ASN 15 H ASN 15 0.469 -0.704 0.565 122 HA ASN 15 HA ASN 15 2.499 -1.016 2.512 123 HB2 ASN 15 HB2 ASN 15 0.139 -2.160 2.051 124 HB3 ASN 15 HB3 ASN 15 1.133 -3.396 1.284 125 HD21 ASN 15 HD21 ASN 15 3.357 -3.587 2.934 126 HD22 ASN 15 HD22 ASN 15 2.891 -3.996 4.512 127 H TRP 16 H TRP 16 2.189 -2.608 -0.686 128 HA TRP 16 HA TRP 16 4.757 -3.971 -0.491 129 HB2 TRP 16 HB2 TRP 16 3.253 -5.039 -1.912 130 HB3 TRP 16 HB3 TRP 16 2.585 -3.523 -2.512 131 HD1 TRP 16 HD1 TRP 16 5.701 -5.755 -2.882 132 HE1 TRP 16 HE1 TRP 16 6.786 -5.264 -5.167 133 HE3 TRP 16 HE3 TRP 16 2.774 -1.866 -4.432 134 HZ2 TRP 16 HZ2 TRP 16 6.460 -3.459 -7.359 135 HZ3 TRP 16 HZ3 TRP 16 3.184 -0.782 -6.620 136 HH2 TRP 16 HH2 TRP 16 5.021 -1.572 -8.085 137 H PHE 17 H PHE 17 3.577 -1.011 -2.126 138 HA PHE 17 HA PHE 17 5.895 -0.296 -3.576 139 HB2 PHE 17 HB2 PHE 17 3.673 0.790 -3.709 140 HB3 PHE 17 HB3 PHE 17 3.902 1.454 -2.093 141 HD1 PHE 17 HD1 PHE 17 5.488 1.361 -5.485 142 HD2 PHE 17 HD2 PHE 17 4.963 3.533 -1.814 143 HE1 PHE 17 HE2 PHE 17 6.713 3.288 -6.449 144 HE2 PHE 17 HE1 PHE 17 6.189 5.459 -2.780 145 HZ PHE 17 HZ PHE 17 7.064 5.338 -5.098 146 H TRP 18 H TRP 18 5.022 0.590 -0.211 147 HA TRP 18 HA TRP 18 7.507 2.001 0.298 148 HB2 TRP 18 HB2 TRP 18 5.212 0.928 1.941 149 HB3 TRP 18 HB3 TRP 18 6.606 1.678 2.717 150 HD1 TRP 18 HD1 TRP 18 3.339 2.624 1.747 151 HE1 TRP 18 HE1 TRP 18 3.150 5.120 1.128 152 HE3 TRP 18 HE3 TRP 18 8.281 3.754 1.121 153 HZ2 TRP 18 HZ2 TRP 18 4.868 7.305 0.460 154 HZ3 TRP 18 HZ3 TRP 18 8.976 6.047 0.494 155 HH2 TRP 18 HH2 TRP 18 7.276 7.824 0.163 156 H ASN 19 H ASN 19 6.393 -1.339 0.791 157 HA ASN 19 HA ASN 19 8.448 -2.276 2.524 158 HB2 ASN 19 HB2 ASN 19 6.465 -3.365 0.619 159 HB3 ASN 19 HB3 ASN 19 7.850 -4.414 0.902 160 HD21 ASN 19 HD21 ASN 19 5.532 -5.456 1.859 161 HD22 ASN 19 HD22 ASN 19 5.410 -5.286 3.543 162 H VAL 20 H VAL 20 8.490 -1.695 -0.975 163 HA VAL 20 HA VAL 20 11.222 -2.882 -1.169 164 HB VAL 20 HB VAL 20 10.819 -2.673 -3.609 165 HG11 VAL 20 HG11 VAL 20 8.583 -3.934 -2.001 166 HG12 VAL 20 HG12 VAL 20 10.065 -4.713 -2.557 167 HG13 VAL 20 HG13 VAL 20 8.838 -4.219 -3.723 168 HG21 VAL 20 HG21 VAL 20 9.390 -0.587 -3.399 169 HG22 VAL 20 HG22 VAL 20 8.073 -1.628 -2.863 170 HG23 VAL 20 HG23 VAL 20 8.741 -1.818 -4.481 171 H THR 21 H THR 21 9.608 0.212 -1.036 172 HA THR 21 HA THR 21 11.869 1.683 -2.235 173 HB THR 21 HB THR 21 9.220 2.457 -0.981 174 HG1 THR 21 HG1 THR 21 8.694 2.879 -3.122 175 HG21 THR 21 HG21 THR 21 10.979 4.229 -0.672 176 HG22 THR 21 HG22 THR 21 9.638 4.734 -1.698 177 HG23 THR 21 HG23 THR 21 11.175 4.269 -2.424 178 H LEU 22 H LEU 22 10.659 0.863 0.966 179 HA LEU 22 HA LEU 22 12.353 2.837 2.337 180 HB2 LEU 22 HB2 LEU 22 10.574 0.548 3.208 181 HB3 LEU 22 HB3 LEU 22 11.458 1.553 4.354 182 HG LEU 22 HG LEU 22 9.476 2.595 2.306 183 HD11 LEU 22 HD11 LEU 22 9.258 1.944 5.246 184 HD12 LEU 22 HD12 LEU 22 8.185 1.462 3.931 185 HD13 LEU 22 HD13 LEU 22 8.198 3.134 4.489 186 HD21 LEU 22 HD21 LEU 22 11.083 4.306 2.785 187 HD22 LEU 22 HD22 LEU 22 11.104 3.902 4.502 188 HD23 LEU 22 HD23 LEU 22 9.682 4.668 3.792 189 H ARG 23 H ARG 23 12.649 -0.479 1.291 190 HA ARG 23 HA ARG 23 14.599 -1.451 3.121 191 HB2 ARG 23 HB2 ARG 23 13.265 -2.320 0.836 192 HB3 ARG 23 HB3 ARG 23 14.959 -2.318 0.345 193 HG2 ARG 23 HG2 ARG 23 14.724 -4.445 1.295 194 HG3 ARG 23 HG3 ARG 23 15.365 -3.503 2.641 195 HD2 ARG 23 HD2 ARG 23 12.908 -3.075 3.304 196 HD3 ARG 23 HD3 ARG 23 12.507 -4.391 2.181 197 HE ARG 23 HE ARG 23 14.052 -4.671 4.692 198 HH11 ARG 23 HH11 ARG 23 11.701 -6.318 3.369 199 HH12 ARG 23 HH12 ARG 23 12.528 -7.816 3.098 200 HH21 ARG 23 HH21 ARG 23 15.690 -6.469 3.626 201 HH22 ARG 23 HH22 ARG 23 14.796 -7.902 3.245 202 HA PRO 24 HA PRO 24 18.003 0.342 0.386 203 HB2 PRO 24 HB2 PRO 24 17.400 1.596 -1.965 204 HB3 PRO 24 HB3 PRO 24 17.578 -0.163 -1.825 205 HG2 PRO 24 HG2 PRO 24 15.155 1.447 -2.178 206 HG3 PRO 24 HG3 PRO 24 15.441 -0.259 -2.538 207 HD2 PRO 24 HD2 PRO 24 14.087 0.852 -0.285 208 HD3 PRO 24 HD3 PRO 24 14.419 -0.857 -0.625 209 H GLU 25 H GLU 25 15.822 1.984 1.944 210 HA GLU 25 HA GLU 25 15.628 4.163 2.803 211 HB2 GLU 25 HB2 GLU 25 18.386 3.660 2.074 212 HB3 GLU 25 HB3 GLU 25 18.007 5.371 1.875 213 HG2 GLU 25 HG2 GLU 25 16.988 4.065 4.348 214 HG3 GLU 25 HG3 GLU 25 18.731 4.313 4.249 215 H ARG 26 H ARG 26 16.004 6.632 1.983 216 HA ARG 26 HA ARG 26 15.565 6.960 -0.918 217 HB2 ARG 26 HB2 ARG 26 13.397 6.206 0.245 218 HB3 ARG 26 HB3 ARG 26 13.403 7.784 1.033 219 HG2 ARG 26 HG2 ARG 26 13.808 7.772 -1.916 220 HG3 ARG 26 HG3 ARG 26 12.194 7.353 -1.343 221 HD2 ARG 26 HD2 ARG 26 13.678 9.828 -0.393 222 HD3 ARG 26 HD3 ARG 26 12.545 9.839 -1.759 223 HE ARG 26 HE ARG 26 11.818 9.215 1.067 224 HH11 ARG 26 HH11 ARG 26 10.233 7.699 -1.035 225 HH12 ARG 26 HH12 ARG 26 8.876 8.751 -1.268 226 HH21 ARG 26 HH21 ARG 26 10.399 11.478 0.258 227 HH22 ARG 26 HH22 ARG 26 8.970 10.899 -0.531 Start of MODEL 20 1 HA ARG 1 HA ARG 1 -19.285 -0.554 -5.473 2 HB2 ARG 1 HB2 ARG 1 -17.404 1.671 -6.103 3 HB3 ARG 1 HB3 ARG 1 -16.747 0.332 -5.162 4 HG2 ARG 1 HG2 ARG 1 -16.511 -0.802 -7.095 5 HG3 ARG 1 HG3 ARG 1 -18.270 -0.890 -7.179 6 HD2 ARG 1 HD2 ARG 1 -18.194 0.395 -9.044 7 HD3 ARG 1 HD3 ARG 1 -17.538 1.721 -8.062 8 HE ARG 1 HE ARG 1 -15.859 -0.349 -9.431 9 HH11 ARG 1 HH11 ARG 1 -14.575 0.958 -7.057 10 HH12 ARG 1 HH12 ARG 1 -13.760 2.305 -7.780 11 HH21 ARG 1 HH21 ARG 1 -15.568 2.146 -10.743 12 HH22 ARG 1 HH22 ARG 1 -14.325 2.981 -9.874 13 H SER 2 H SER 2 -17.987 -1.290 -3.517 14 HA SER 2 HA SER 2 -19.022 0.002 -1.094 15 HB2 SER 2 HB2 SER 2 -18.347 -2.558 -1.898 16 HB3 SER 2 HB3 SER 2 -17.019 -2.134 -0.822 17 HG SER 2 HG SER 2 -18.372 -2.513 0.730 18 H ALA 3 H ALA 3 -17.826 1.157 0.414 19 HA ALA 3 HA ALA 3 -15.358 2.430 -0.434 20 HB1 ALA 3 HB1 ALA 3 -17.083 3.508 0.952 21 HB2 ALA 3 HB2 ALA 3 -15.544 3.476 1.813 22 HB3 ALA 3 HB3 ALA 3 -16.811 2.323 2.230 23 H LEU 4 H LEU 4 -16.078 -0.437 1.460 24 HA LEU 4 HA LEU 4 -13.424 -0.547 2.722 25 HB2 LEU 4 HB2 LEU 4 -16.031 -1.871 2.876 26 HB3 LEU 4 HB3 LEU 4 -14.695 -3.012 3.002 27 HG LEU 4 HG LEU 4 -15.440 -2.060 5.211 28 HD11 LEU 4 HD11 LEU 4 -13.240 -1.887 6.060 29 HD12 LEU 4 HD12 LEU 4 -12.629 -1.164 4.572 30 HD13 LEU 4 HD13 LEU 4 -13.060 -2.874 4.610 31 HD21 LEU 4 HD21 LEU 4 -15.105 0.225 5.737 32 HD22 LEU 4 HD22 LEU 4 -15.828 0.263 4.128 33 HD23 LEU 4 HD23 LEU 4 -14.090 0.492 4.319 34 H VAL 5 H VAL 5 -14.271 -1.018 -0.415 35 HA VAL 5 HA VAL 5 -12.659 -3.502 -0.800 36 HB VAL 5 HB VAL 5 -14.464 -1.864 -2.618 37 HG11 VAL 5 HG11 VAL 5 -14.248 -3.975 -4.075 38 HG12 VAL 5 HG12 VAL 5 -12.829 -4.361 -3.102 39 HG13 VAL 5 HG13 VAL 5 -12.866 -2.878 -4.058 40 HG21 VAL 5 HG21 VAL 5 -14.887 -4.686 -1.624 41 HG22 VAL 5 HG22 VAL 5 -16.077 -3.576 -2.306 42 HG23 VAL 5 HG23 VAL 5 -15.432 -3.294 -0.689 43 H ASN 6 H ASN 6 -12.918 -0.164 -2.115 44 HA ASN 6 HA ASN 6 -10.382 -0.321 -3.535 45 HB2 ASN 6 HB2 ASN 6 -12.369 1.119 -4.109 46 HB3 ASN 6 HB3 ASN 6 -12.010 2.097 -2.685 47 HD21 ASN 6 HD21 ASN 6 -10.720 1.121 -5.871 48 HD22 ASN 6 HD22 ASN 6 -9.601 2.392 -5.986 49 H SER 7 H SER 7 -11.414 1.127 -0.415 50 HA SER 7 HA SER 7 -9.030 2.492 0.271 51 HB2 SER 7 HB2 SER 7 -11.179 1.047 1.822 52 HB3 SER 7 HB3 SER 7 -9.840 1.825 2.660 53 HG SER 7 HG SER 7 -11.956 3.019 2.007 54 H TYR 8 H TYR 8 -9.931 -0.892 1.082 55 HA TYR 8 HA TYR 8 -7.412 -1.622 2.245 56 HB2 TYR 8 HB2 TYR 8 -9.295 -3.008 2.671 57 HB3 TYR 8 HB3 TYR 8 -9.730 -3.086 0.963 58 HD1 TYR 8 HD1 TYR 8 -6.943 -4.001 3.304 59 HD2 TYR 8 HD2 TYR 8 -9.066 -4.935 -0.312 60 HE1 TYR 8 HE2 TYR 8 -5.592 -6.062 3.044 61 HE2 TYR 8 HE1 TYR 8 -7.711 -6.997 -0.573 62 HH TYR 8 HH TYR 8 -6.274 -8.527 1.499 63 H LEU 9 H LEU 9 -8.683 -1.892 -1.088 64 HA LEU 9 HA LEU 9 -6.492 -3.267 -2.281 65 HB2 LEU 9 HB2 LEU 9 -8.746 -1.508 -3.101 66 HB3 LEU 9 HB3 LEU 9 -7.432 -1.652 -4.266 67 HG LEU 9 HG LEU 9 -8.844 -4.008 -2.980 68 HD11 LEU 9 HD11 LEU 9 -10.330 -2.718 -4.493 69 HD12 LEU 9 HD12 LEU 9 -9.934 -4.300 -5.162 70 HD13 LEU 9 HD13 LEU 9 -9.127 -2.856 -5.775 71 HD21 LEU 9 HD21 LEU 9 -7.695 -5.106 -5.062 72 HD22 LEU 9 HD22 LEU 9 -6.718 -4.767 -3.633 73 HD23 LEU 9 HD23 LEU 9 -6.652 -3.684 -5.024 74 H TRP 10 H TRP 10 -7.072 0.234 -1.863 75 HA TRP 10 HA TRP 10 -4.664 1.143 -3.140 76 HB2 TRP 10 HB2 TRP 10 -6.318 2.763 -2.864 77 HB3 TRP 10 HB3 TRP 10 -6.749 2.194 -1.254 78 HD1 TRP 10 HD1 TRP 10 -3.610 3.784 -2.898 79 HE1 TRP 10 HE1 TRP 10 -2.640 5.508 -1.245 80 HE3 TRP 10 HE3 TRP 10 -6.889 3.229 0.975 81 HZ2 TRP 10 HZ2 TRP 10 -3.188 6.520 1.376 82 HZ3 TRP 10 HZ3 TRP 10 -6.645 4.585 3.035 83 HH2 TRP 10 HH2 TRP 10 -4.800 6.228 3.240 84 H GLN 11 H GLN 11 -5.439 0.398 0.280 85 HA GLN 11 HA GLN 11 -2.936 1.174 1.425 86 HB2 GLN 11 HB2 GLN 11 -5.014 -0.910 2.165 87 HB3 GLN 11 HB3 GLN 11 -3.679 -0.459 3.226 88 HG2 GLN 11 HG2 GLN 11 -5.473 1.668 2.076 89 HG3 GLN 11 HG3 GLN 11 -5.981 0.760 3.500 90 HE21 GLN 11 HE21 GLN 11 -3.479 2.992 2.279 91 HE22 GLN 11 HE22 GLN 11 -2.911 3.452 3.811 92 H ARG 12 H ARG 12 -4.000 -1.923 -0.009 93 HA ARG 12 HA ARG 12 -1.661 -3.451 0.655 94 HB2 ARG 12 HB2 ARG 12 -4.085 -3.978 -0.383 95 HB3 ARG 12 HB3 ARG 12 -3.161 -3.934 -1.885 96 HG2 ARG 12 HG2 ARG 12 -2.078 -5.499 0.435 97 HG3 ARG 12 HG3 ARG 12 -3.385 -6.193 -0.524 98 HD2 ARG 12 HD2 ARG 12 -1.096 -5.013 -2.039 99 HD3 ARG 12 HD3 ARG 12 -0.808 -6.551 -1.204 100 HE ARG 12 HE ARG 12 -2.408 -7.592 -2.631 101 HH11 ARG 12 HH11 ARG 12 -1.329 -5.371 -4.525 102 HH12 ARG 12 HH12 ARG 12 -2.816 -4.815 -5.218 103 HH21 ARG 12 HH21 ARG 12 -4.811 -6.354 -2.825 104 HH22 ARG 12 HH22 ARG 12 -4.792 -5.371 -4.251 105 H TRP 13 H TRP 13 -2.439 -1.351 -2.128 106 HA TRP 13 HA TRP 13 -0.123 -2.018 -3.705 107 HB2 TRP 13 HB2 TRP 13 -1.344 -0.754 -5.129 108 HB3 TRP 13 HB3 TRP 13 -2.432 -0.342 -3.812 109 HD1 TRP 13 HD1 TRP 13 -2.611 2.129 -3.316 110 HE1 TRP 13 HE1 TRP 13 -1.164 4.219 -3.734 111 HE3 TRP 13 HE3 TRP 13 1.499 -0.048 -5.422 112 HZ2 TRP 13 HZ2 TRP 13 1.398 4.882 -4.818 113 HZ3 TRP 13 HZ3 TRP 13 3.427 1.336 -6.139 114 HH2 TRP 13 HH2 TRP 13 3.380 3.795 -5.840 115 H GLU 14 H GLU 14 -0.739 0.635 -1.371 116 HA GLU 14 HA GLU 14 1.900 1.797 -1.586 117 HB2 GLU 14 HB2 GLU 14 -0.423 1.919 0.331 118 HB3 GLU 14 HB3 GLU 14 1.090 2.738 0.724 119 HG2 GLU 14 HG2 GLU 14 0.741 3.504 -1.879 120 HG3 GLU 14 HG3 GLU 14 -0.930 3.403 -1.326 121 H ASN 15 H ASN 15 0.473 -0.710 0.493 122 HA ASN 15 HA ASN 15 2.526 -0.987 2.431 123 HB2 ASN 15 HB2 ASN 15 0.482 -2.181 2.705 124 HB3 ASN 15 HB3 ASN 15 0.584 -2.885 1.092 125 HD21 ASN 15 HD21 ASN 15 3.151 -2.737 3.625 126 HD22 ASN 15 HD22 ASN 15 3.332 -4.421 3.742 127 H TRP 16 H TRP 16 2.155 -2.739 -0.687 128 HA TRP 16 HA TRP 16 4.725 -4.039 -0.579 129 HB2 TRP 16 HB2 TRP 16 3.157 -4.993 -2.043 130 HB3 TRP 16 HB3 TRP 16 2.630 -3.425 -2.654 131 HD1 TRP 16 HD1 TRP 16 5.500 -5.948 -2.962 132 HE1 TRP 16 HE1 TRP 16 6.783 -5.474 -5.145 133 HE3 TRP 16 HE3 TRP 16 3.169 -1.647 -4.441 134 HZ2 TRP 16 HZ2 TRP 16 6.821 -3.532 -7.240 135 HZ3 TRP 16 HZ3 TRP 16 3.852 -0.509 -6.534 136 HH2 TRP 16 HH2 TRP 16 5.672 -1.444 -7.934 137 H PHE 17 H PHE 17 3.587 -1.013 -2.104 138 HA PHE 17 HA PHE 17 5.924 -0.255 -3.497 139 HB2 PHE 17 HB2 PHE 17 3.824 0.917 -3.731 140 HB3 PHE 17 HB3 PHE 17 3.793 1.318 -2.016 141 HD1 PHE 17 HD1 PHE 17 5.982 1.749 -5.037 142 HD2 PHE 17 HD2 PHE 17 4.566 3.409 -1.337 143 HE1 PHE 17 HE1 PHE 17 7.236 3.838 -5.493 144 HE2 PHE 17 HE2 PHE 17 5.820 5.497 -1.795 145 HZ PHE 17 HZ PHE 17 7.155 5.713 -3.872 146 H TRP 18 H TRP 18 4.982 0.796 -0.189 147 HA TRP 18 HA TRP 18 7.516 1.997 0.437 148 HB2 TRP 18 HB2 TRP 18 5.186 0.931 2.046 149 HB3 TRP 18 HB3 TRP 18 6.571 1.702 2.817 150 HD1 TRP 18 HD1 TRP 18 3.304 2.628 1.921 151 HE1 TRP 18 HE1 TRP 18 3.087 5.106 1.243 152 HE3 TRP 18 HE3 TRP 18 8.217 3.748 1.080 153 HZ2 TRP 18 HZ2 TRP 18 4.773 7.274 0.451 154 HZ3 TRP 18 HZ3 TRP 18 8.881 6.025 0.365 155 HH2 TRP 18 HH2 TRP 18 7.166 7.788 0.050 156 H ASN 19 H ASN 19 6.277 -1.314 0.789 157 HA ASN 19 HA ASN 19 8.215 -2.421 2.534 158 HB2 ASN 19 HB2 ASN 19 6.113 -3.460 1.590 159 HB3 ASN 19 HB3 ASN 19 6.982 -3.705 0.076 160 HD21 ASN 19 HD21 ASN 19 8.866 -5.208 0.128 161 HD22 ASN 19 HD22 ASN 19 8.980 -6.377 1.353 162 H VAL 20 H VAL 20 8.430 -1.736 -0.961 163 HA VAL 20 HA VAL 20 11.232 -2.789 -0.982 164 HB VAL 20 HB VAL 20 10.920 -2.693 -3.460 165 HG11 VAL 20 HG11 VAL 20 9.439 -4.575 -3.596 166 HG12 VAL 20 HG12 VAL 20 8.594 -4.096 -2.124 167 HG13 VAL 20 HG13 VAL 20 10.253 -4.687 -2.036 168 HG21 VAL 20 HG21 VAL 20 9.006 -1.870 -4.474 169 HG22 VAL 20 HG22 VAL 20 9.093 -0.790 -3.084 170 HG23 VAL 20 HG23 VAL 20 7.998 -2.172 -3.061 171 H THR 21 H THR 21 9.534 0.173 -0.762 172 HA THR 21 HA THR 21 11.626 1.765 -2.133 173 HB THR 21 HB THR 21 9.027 2.463 -0.726 174 HG1 THR 21 HG1 THR 21 8.487 1.529 -2.584 175 HG21 THR 21 HG21 THR 21 10.621 4.346 -0.662 176 HG22 THR 21 HG22 THR 21 9.285 4.683 -1.764 177 HG23 THR 21 HG23 THR 21 10.857 4.204 -2.404 178 H LEU 22 H LEU 22 10.454 1.052 1.127 179 HA LEU 22 HA LEU 22 12.195 3.040 2.408 180 HB2 LEU 22 HB2 LEU 22 10.480 0.761 3.438 181 HB3 LEU 22 HB3 LEU 22 11.291 1.930 4.477 182 HG LEU 22 HG LEU 22 9.300 2.670 2.313 183 HD11 LEU 22 HD11 LEU 22 8.166 1.430 4.078 184 HD12 LEU 22 HD12 LEU 22 7.780 3.142 4.242 185 HD13 LEU 22 HD13 LEU 22 8.966 2.400 5.315 186 HD21 LEU 22 HD21 LEU 22 9.329 4.788 3.908 187 HD22 LEU 22 HD22 LEU 22 10.561 4.596 2.661 188 HD23 LEU 22 HD23 LEU 22 10.927 4.178 4.335 189 H ARG 23 H ARG 23 12.479 -0.275 1.406 190 HA ARG 23 HA ARG 23 14.440 -1.213 3.266 191 HB2 ARG 23 HB2 ARG 23 12.984 -2.244 1.201 192 HB3 ARG 23 HB3 ARG 23 14.581 -2.156 0.459 193 HG2 ARG 23 HG2 ARG 23 14.386 -3.262 3.230 194 HG3 ARG 23 HG3 ARG 23 13.844 -4.277 1.893 195 HD2 ARG 23 HD2 ARG 23 15.973 -4.451 0.979 196 HD3 ARG 23 HD3 ARG 23 16.491 -2.884 1.630 197 HE ARG 23 HE ARG 23 16.954 -3.936 3.722 198 HH11 ARG 23 HH11 ARG 23 17.923 -6.256 2.164 199 HH12 ARG 23 HH12 ARG 23 17.013 -7.573 2.821 200 HH21 ARG 23 HH21 ARG 23 14.629 -5.526 4.309 201 HH22 ARG 23 HH22 ARG 23 15.140 -7.159 4.042 202 HA PRO 24 HA PRO 24 17.790 0.270 0.225 203 HB2 PRO 24 HB2 PRO 24 17.088 1.753 -1.960 204 HB3 PRO 24 HB3 PRO 24 17.125 -0.020 -1.972 205 HG2 PRO 24 HG2 PRO 24 14.813 1.822 -1.808 206 HG3 PRO 24 HG3 PRO 24 14.939 0.228 -2.563 207 HD2 PRO 24 HD2 PRO 24 13.759 0.757 -0.111 208 HD3 PRO 24 HD3 PRO 24 14.302 -0.836 -0.671 209 H GLU 25 H GLU 25 16.800 1.684 2.411 210 HA GLU 25 HA GLU 25 17.885 4.361 1.974 211 HB2 GLU 25 HB2 GLU 25 15.124 3.868 1.505 212 HB3 GLU 25 HB3 GLU 25 15.222 4.746 3.031 213 HG2 GLU 25 HG2 GLU 25 16.737 5.638 0.569 214 HG3 GLU 25 HG3 GLU 25 15.090 6.175 0.903 215 H ARG 26 H ARG 26 17.994 5.565 4.049 216 HA ARG 26 HA ARG 26 17.317 4.030 6.507 217 HB2 ARG 26 HB2 ARG 26 19.808 3.877 5.278 218 HB3 ARG 26 HB3 ARG 26 20.050 5.097 6.526 219 HG2 ARG 26 HG2 ARG 26 18.648 2.507 7.166 220 HG3 ARG 26 HG3 ARG 26 20.409 2.600 7.164 221 HD2 ARG 26 HD2 ARG 26 20.461 4.117 8.964 222 HD3 ARG 26 HD3 ARG 26 18.784 4.633 8.696 223 HE ARG 26 HE ARG 26 19.518 1.904 9.703 224 HH11 ARG 26 HH11 ARG 26 18.652 3.830 11.765 225 HH12 ARG 26 HH12 ARG 26 16.942 3.570 11.851 226 HH21 ARG 26 HH21 ARG 26 16.780 1.905 8.803 227 HH22 ARG 26 HH22 ARG 26 15.877 2.475 10.166 Start of MODEL 21 1 HA ARG 1 HA ARG 1 -13.720 7.670 -2.572 2 HB2 ARG 1 HB2 ARG 1 -12.251 9.622 -1.199 3 HB3 ARG 1 HB3 ARG 1 -12.041 8.163 -0.231 4 HG2 ARG 1 HG2 ARG 1 -11.554 6.984 -2.489 5 HG3 ARG 1 HG3 ARG 1 -11.330 8.612 -3.128 6 HD2 ARG 1 HD2 ARG 1 -9.844 8.711 -0.801 7 HD3 ARG 1 HD3 ARG 1 -9.566 7.048 -1.358 8 HE ARG 1 HE ARG 1 -8.789 9.502 -2.802 9 HH11 ARG 1 HH11 ARG 1 -6.962 7.178 -2.531 10 HH12 ARG 1 HH12 ARG 1 -7.073 6.421 -4.084 11 HH21 ARG 1 HH21 ARG 1 -10.001 8.077 -4.967 12 HH22 ARG 1 HH22 ARG 1 -8.802 6.934 -5.471 13 H SER 2 H SER 2 -14.231 5.604 -1.908 14 HA SER 2 HA SER 2 -15.758 5.176 0.541 15 HB2 SER 2 HB2 SER 2 -15.958 3.996 -1.729 16 HB3 SER 2 HB3 SER 2 -14.505 3.106 -1.282 17 HG SER 2 HG SER 2 -17.084 2.831 -0.410 18 H ALA 3 H ALA 3 -15.072 3.996 2.394 19 HA ALA 3 HA ALA 3 -12.101 3.821 2.732 20 HB1 ALA 3 HB1 ALA 3 -14.407 4.155 4.674 21 HB2 ALA 3 HB2 ALA 3 -13.244 5.392 4.195 22 HB3 ALA 3 HB3 ALA 3 -12.718 4.015 5.162 23 H LEU 4 H LEU 4 -14.798 1.809 2.256 24 HA LEU 4 HA LEU 4 -13.480 -0.437 3.745 25 HB2 LEU 4 HB2 LEU 4 -16.276 0.483 3.373 26 HB3 LEU 4 HB3 LEU 4 -16.036 -1.263 3.318 27 HG LEU 4 HG LEU 4 -14.923 0.479 5.530 28 HD11 LEU 4 HD11 LEU 4 -17.418 0.588 5.448 29 HD12 LEU 4 HD12 LEU 4 -16.820 -0.232 6.890 30 HD13 LEU 4 HD13 LEU 4 -17.468 -1.172 5.546 31 HD21 LEU 4 HD21 LEU 4 -13.763 -1.575 5.502 32 HD22 LEU 4 HD22 LEU 4 -15.196 -2.482 5.021 33 HD23 LEU 4 HD23 LEU 4 -15.057 -1.863 6.665 34 H VAL 5 H VAL 5 -14.049 0.747 0.628 35 HA VAL 5 HA VAL 5 -14.018 -2.015 -0.548 36 HB VAL 5 HB VAL 5 -14.928 0.653 -1.690 37 HG11 VAL 5 HG11 VAL 5 -15.880 -0.786 -3.507 38 HG12 VAL 5 HG12 VAL 5 -15.038 -2.167 -2.805 39 HG13 VAL 5 HG13 VAL 5 -14.117 -0.812 -3.459 40 HG21 VAL 5 HG21 VAL 5 -16.518 -0.035 -0.045 41 HG22 VAL 5 HG22 VAL 5 -16.404 -1.725 -0.536 42 HG23 VAL 5 HG23 VAL 5 -17.190 -0.551 -1.592 43 H ASN 6 H ASN 6 -12.839 1.315 -1.215 44 HA ASN 6 HA ASN 6 -10.664 0.277 -2.908 45 HB2 ASN 6 HB2 ASN 6 -11.687 2.978 -2.034 46 HB3 ASN 6 HB3 ASN 6 -10.184 2.825 -2.943 47 HD21 ASN 6 HD21 ASN 6 -10.575 1.084 -4.928 48 HD22 ASN 6 HD22 ASN 6 -11.953 1.433 -5.855 49 H SER 7 H SER 7 -11.052 0.994 0.455 50 HA SER 7 HA SER 7 -8.419 1.931 1.106 51 HB2 SER 7 HB2 SER 7 -10.780 0.752 2.452 52 HB3 SER 7 HB3 SER 7 -9.255 0.525 3.302 53 HG SER 7 HG SER 7 -10.432 2.525 3.757 54 H TYR 8 H TYR 8 -9.772 -1.389 1.417 55 HA TYR 8 HA TYR 8 -7.203 -2.631 1.893 56 HB2 TYR 8 HB2 TYR 8 -9.363 -3.545 2.631 57 HB3 TYR 8 HB3 TYR 8 -9.880 -3.717 0.955 58 HD1 TYR 8 HD1 TYR 8 -6.913 -4.635 3.071 59 HD2 TYR 8 HD2 TYR 8 -9.695 -5.837 0.027 60 HE1 TYR 8 HE2 TYR 8 -5.833 -6.863 2.966 61 HE2 TYR 8 HE1 TYR 8 -8.614 -8.065 -0.080 62 HH TYR 8 HH TYR 8 -6.874 -9.369 2.110 63 H LEU 9 H LEU 9 -8.727 -1.537 -1.015 64 HA LEU 9 HA LEU 9 -7.226 -3.431 -2.739 65 HB2 LEU 9 HB2 LEU 9 -9.587 -1.683 -2.885 66 HB3 LEU 9 HB3 LEU 9 -8.600 -1.643 -4.344 67 HG LEU 9 HG LEU 9 -10.401 -3.425 -4.327 68 HD11 LEU 9 HD11 LEU 9 -8.796 -5.252 -5.081 69 HD12 LEU 9 HD12 LEU 9 -7.483 -4.185 -4.584 70 HD13 LEU 9 HD13 LEU 9 -8.585 -3.688 -5.867 71 HD21 LEU 9 HD21 LEU 9 -8.609 -5.007 -2.508 72 HD22 LEU 9 HD22 LEU 9 -10.322 -5.234 -2.860 73 HD23 LEU 9 HD23 LEU 9 -9.807 -3.921 -1.805 74 H TRP 10 H TRP 10 -7.173 -0.025 -1.752 75 HA TRP 10 HA TRP 10 -5.048 0.568 -3.760 76 HB2 TRP 10 HB2 TRP 10 -6.971 2.089 -3.550 77 HB3 TRP 10 HB3 TRP 10 -6.637 2.298 -1.832 78 HD1 TRP 10 HD1 TRP 10 -4.270 2.439 -4.896 79 HE1 TRP 10 HE1 TRP 10 -2.948 4.648 -4.784 80 HE3 TRP 10 HE3 TRP 10 -6.381 4.520 -0.736 81 HZ2 TRP 10 HZ2 TRP 10 -2.809 6.991 -3.151 82 HZ3 TRP 10 HZ3 TRP 10 -5.636 6.741 0.073 83 HH2 TRP 10 HH2 TRP 10 -3.854 7.978 -1.129 84 H GLN 11 H GLN 11 -5.598 0.875 -0.210 85 HA GLN 11 HA GLN 11 -3.034 1.809 0.526 86 HB2 GLN 11 HB2 GLN 11 -5.393 0.851 1.752 87 HB3 GLN 11 HB3 GLN 11 -4.080 -0.106 2.433 88 HG2 GLN 11 HG2 GLN 11 -3.756 1.658 3.819 89 HG3 GLN 11 HG3 GLN 11 -3.018 2.444 2.424 90 HE21 GLN 11 HE21 GLN 11 -6.205 2.030 4.053 91 HE22 GLN 11 HE22 GLN 11 -6.835 3.515 3.522 92 H ARG 12 H ARG 12 -4.072 -1.500 -0.245 93 HA ARG 12 HA ARG 12 -1.802 -2.929 0.744 94 HB2 ARG 12 HB2 ARG 12 -3.963 -3.302 -1.288 95 HB3 ARG 12 HB3 ARG 12 -2.583 -4.396 -1.378 96 HG2 ARG 12 HG2 ARG 12 -3.117 -4.367 1.326 97 HG3 ARG 12 HG3 ARG 12 -4.733 -4.256 0.628 98 HD2 ARG 12 HD2 ARG 12 -2.846 -6.259 -0.561 99 HD3 ARG 12 HD3 ARG 12 -3.580 -6.635 1.009 100 HE ARG 12 HE ARG 12 -5.783 -5.861 -0.296 101 HH11 ARG 12 HH11 ARG 12 -4.414 -5.998 -2.948 102 HH12 ARG 12 HH12 ARG 12 -4.751 -7.619 -3.458 103 HH21 ARG 12 HH21 ARG 12 -5.665 -8.703 -0.282 104 HH22 ARG 12 HH22 ARG 12 -5.467 -9.155 -1.942 105 H TRP 13 H TRP 13 -2.371 -1.256 -2.355 106 HA TRP 13 HA TRP 13 -0.037 -2.120 -3.746 107 HB2 TRP 13 HB2 TRP 13 -1.125 -0.877 -5.298 108 HB3 TRP 13 HB3 TRP 13 -2.226 -0.316 -4.051 109 HD1 TRP 13 HD1 TRP 13 -2.255 2.181 -3.678 110 HE1 TRP 13 HE1 TRP 13 -0.679 4.153 -4.187 111 HE3 TRP 13 HE3 TRP 13 1.747 -0.355 -5.580 112 HZ2 TRP 13 HZ2 TRP 13 1.936 4.599 -5.255 113 HZ3 TRP 13 HZ3 TRP 13 3.768 0.869 -6.333 114 HH2 TRP 13 HH2 TRP 13 3.866 3.339 -6.172 115 H GLU 14 H GLU 14 -0.543 0.710 -1.608 116 HA GLU 14 HA GLU 14 2.165 1.702 -1.832 117 HB2 GLU 14 HB2 GLU 14 -0.192 2.091 0.002 118 HB3 GLU 14 HB3 GLU 14 1.358 2.835 0.396 119 HG2 GLU 14 HG2 GLU 14 1.343 3.721 -2.028 120 HG3 GLU 14 HG3 GLU 14 -0.366 3.286 -2.038 121 H ASN 15 H ASN 15 0.536 -0.555 0.386 122 HA ASN 15 HA ASN 15 2.493 -0.825 2.403 123 HB2 ASN 15 HB2 ASN 15 0.115 -1.916 1.938 124 HB3 ASN 15 HB3 ASN 15 1.085 -3.224 1.262 125 HD21 ASN 15 HD21 ASN 15 3.161 -3.647 2.886 126 HD22 ASN 15 HD22 ASN 15 2.700 -3.851 4.506 127 H TRP 16 H TRP 16 2.230 -2.628 -0.690 128 HA TRP 16 HA TRP 16 4.737 -4.047 -0.365 129 HB2 TRP 16 HB2 TRP 16 3.210 -5.037 -1.851 130 HB3 TRP 16 HB3 TRP 16 2.755 -3.491 -2.565 131 HD1 TRP 16 HD1 TRP 16 5.635 -6.038 -2.558 132 HE1 TRP 16 HE1 TRP 16 7.000 -5.738 -4.722 133 HE3 TRP 16 HE3 TRP 16 3.326 -1.912 -4.494 134 HZ2 TRP 16 HZ2 TRP 16 7.102 -3.982 -6.974 135 HZ3 TRP 16 HZ3 TRP 16 4.079 -0.950 -6.649 136 HH2 TRP 16 HH2 TRP 16 5.963 -1.978 -7.892 137 H PHE 17 H PHE 17 3.765 -1.094 -2.132 138 HA PHE 17 HA PHE 17 6.214 -0.486 -3.417 139 HB2 PHE 17 HB2 PHE 17 4.002 0.605 -3.763 140 HB3 PHE 17 HB3 PHE 17 4.152 1.375 -2.184 141 HD1 PHE 17 HD1 PHE 17 6.016 0.985 -5.416 142 HD2 PHE 17 HD2 PHE 17 5.156 3.480 -2.027 143 HE1 PHE 17 HE2 PHE 17 7.331 2.824 -6.436 144 HE2 PHE 17 HE1 PHE 17 6.470 5.319 -3.047 145 HZ PHE 17 HZ PHE 17 7.558 4.991 -5.251 146 H TRP 18 H TRP 18 5.040 0.715 -0.236 147 HA TRP 18 HA TRP 18 7.473 2.065 0.476 148 HB2 TRP 18 HB2 TRP 18 5.218 0.865 2.118 149 HB3 TRP 18 HB3 TRP 18 6.444 1.949 2.773 150 HD1 TRP 18 HD1 TRP 18 3.108 2.305 2.066 151 HE1 TRP 18 HE1 TRP 18 2.458 4.561 0.999 152 HE3 TRP 18 HE3 TRP 18 7.690 3.863 0.427 153 HZ2 TRP 18 HZ2 TRP 18 3.713 6.734 -0.365 154 HZ3 TRP 18 HZ3 TRP 18 7.932 6.028 -0.751 155 HH2 TRP 18 HH2 TRP 18 5.952 7.465 -1.148 156 H ASN 19 H ASN 19 6.339 -1.269 1.008 157 HA ASN 19 HA ASN 19 8.312 -2.156 2.848 158 HB2 ASN 19 HB2 ASN 19 6.458 -3.318 0.842 159 HB3 ASN 19 HB3 ASN 19 7.790 -4.359 1.340 160 HD21 ASN 19 HD21 ASN 19 6.892 -5.763 2.882 161 HD22 ASN 19 HD22 ASN 19 5.970 -5.261 4.216 162 H VAL 20 H VAL 20 8.501 -1.823 -0.701 163 HA VAL 20 HA VAL 20 11.283 -2.920 -0.633 164 HB VAL 20 HB VAL 20 10.991 -3.105 -3.073 165 HG11 VAL 20 HG11 VAL 20 9.394 -4.862 -3.065 166 HG12 VAL 20 HG12 VAL 20 8.457 -4.112 -1.773 167 HG13 VAL 20 HG13 VAL 20 10.034 -4.823 -1.422 168 HG21 VAL 20 HG21 VAL 20 8.854 -2.496 -4.127 169 HG22 VAL 20 HG22 VAL 20 9.597 -1.077 -3.391 170 HG23 VAL 20 HG23 VAL 20 8.253 -1.885 -2.587 171 H THR 21 H THR 21 9.481 0.056 -1.254 172 HA THR 21 HA THR 21 11.708 1.459 -2.509 173 HB THR 21 HB THR 21 9.094 2.366 -1.264 174 HG1 THR 21 HG1 THR 21 8.377 1.548 -3.048 175 HG21 THR 21 HG21 THR 21 9.636 4.331 -2.966 176 HG22 THR 21 HG22 THR 21 11.299 3.840 -2.650 177 HG23 THR 21 HG23 THR 21 10.266 4.362 -1.320 178 H LEU 22 H LEU 22 10.302 1.402 0.770 179 HA LEU 22 HA LEU 22 12.034 3.425 1.875 180 HB2 LEU 22 HB2 LEU 22 10.475 1.129 3.100 181 HB3 LEU 22 HB3 LEU 22 11.249 2.399 4.047 182 HG LEU 22 HG LEU 22 9.128 2.854 1.921 183 HD11 LEU 22 HD11 LEU 22 7.728 3.509 3.891 184 HD12 LEU 22 HD12 LEU 22 9.012 2.930 4.952 185 HD13 LEU 22 HD13 LEU 22 8.166 1.800 3.895 186 HD21 LEU 22 HD21 LEU 22 10.670 4.690 3.769 187 HD22 LEU 22 HD22 LEU 22 9.132 5.165 3.049 188 HD23 LEU 22 HD23 LEU 22 10.511 4.796 2.015 189 H ARG 23 H ARG 23 12.316 -0.089 1.566 190 HA ARG 23 HA ARG 23 15.162 0.123 2.477 191 HB2 ARG 23 HB2 ARG 23 13.335 -0.870 4.077 192 HB3 ARG 23 HB3 ARG 23 13.425 -2.278 3.019 193 HG2 ARG 23 HG2 ARG 23 15.680 -2.688 3.544 194 HG3 ARG 23 HG3 ARG 23 15.933 -1.048 4.143 195 HD2 ARG 23 HD2 ARG 23 13.932 -1.944 5.813 196 HD3 ARG 23 HD3 ARG 23 14.899 -3.412 5.566 197 HE ARG 23 HE ARG 23 16.918 -1.906 6.120 198 HH11 ARG 23 HH11 ARG 23 15.037 -2.736 8.447 199 HH12 ARG 23 HH12 ARG 23 14.954 -1.245 9.323 200 HH21 ARG 23 HH21 ARG 23 16.251 0.659 6.720 201 HH22 ARG 23 HH22 ARG 23 15.643 0.684 8.341 202 HA PRO 24 HA PRO 24 14.990 -1.823 -1.688 203 HB2 PRO 24 HB2 PRO 24 17.342 -0.724 -2.557 204 HB3 PRO 24 HB3 PRO 24 15.783 0.119 -2.661 205 HG2 PRO 24 HG2 PRO 24 17.977 0.437 -0.675 206 HG3 PRO 24 HG3 PRO 24 16.944 1.666 -1.422 207 HD2 PRO 24 HD2 PRO 24 16.562 0.725 1.105 208 HD3 PRO 24 HD3 PRO 24 15.249 1.344 0.082 209 H GLU 25 H GLU 25 16.259 -3.591 -2.458 210 HA GLU 25 HA GLU 25 18.667 -4.383 -0.893 211 HB2 GLU 25 HB2 GLU 25 17.647 -6.632 -0.524 212 HB3 GLU 25 HB3 GLU 25 16.736 -5.348 0.268 213 HG2 GLU 25 HG2 GLU 25 14.902 -6.074 -0.823 214 HG3 GLU 25 HG3 GLU 25 15.651 -5.537 -2.327 215 H ARG 26 H ARG 26 19.972 -5.987 -2.018 216 HA ARG 26 HA ARG 26 19.169 -6.890 -4.704 217 HB2 ARG 26 HB2 ARG 26 20.535 -4.405 -4.250 218 HB3 ARG 26 HB3 ARG 26 21.636 -5.507 -5.077 219 HG2 ARG 26 HG2 ARG 26 19.791 -5.989 -6.726 220 HG3 ARG 26 HG3 ARG 26 18.853 -4.704 -5.965 221 HD2 ARG 26 HD2 ARG 26 20.222 -3.025 -6.795 222 HD3 ARG 26 HD3 ARG 26 21.655 -4.072 -6.832 223 HE ARG 26 HE ARG 26 19.397 -4.257 -8.792 224 HH11 ARG 26 HH11 ARG 26 20.919 -6.767 -8.634 225 HH12 ARG 26 HH12 ARG 26 22.192 -6.534 -9.786 226 HH21 ARG 26 HH21 ARG 26 21.791 -3.083 -9.919 227 HH22 ARG 26 HH22 ARG 26 22.688 -4.439 -10.514 Start of MODEL 22 1 HA ARG 1 HA ARG 1 -21.085 0.340 -3.032 2 HB2 ARG 1 HB2 ARG 1 -23.070 -0.821 -4.162 3 HB3 ARG 1 HB3 ARG 1 -22.587 -2.281 -3.298 4 HG2 ARG 1 HG2 ARG 1 -22.821 -1.117 -1.151 5 HG3 ARG 1 HG3 ARG 1 -23.240 0.378 -1.988 6 HD2 ARG 1 HD2 ARG 1 -25.405 -0.268 -2.169 7 HD3 ARG 1 HD3 ARG 1 -24.929 -1.817 -2.895 8 HE ARG 1 HE ARG 1 -24.761 -1.385 0.066 9 HH11 ARG 1 HH11 ARG 1 -27.430 -2.316 -0.661 10 HH12 ARG 1 HH12 ARG 1 -27.273 -4.040 -0.681 11 HH21 ARG 1 HH21 ARG 1 -23.800 -3.984 -0.849 12 HH22 ARG 1 HH22 ARG 1 -25.209 -4.989 -0.787 13 H SER 2 H SER 2 -18.859 -0.115 -2.222 14 HA SER 2 HA SER 2 -18.866 -2.360 -0.271 15 HB2 SER 2 HB2 SER 2 -17.313 -2.171 -2.763 16 HB3 SER 2 HB3 SER 2 -16.319 -2.487 -1.344 17 HG SER 2 HG SER 2 -17.347 -4.351 -1.021 18 H ALA 3 H ALA 3 -17.483 -1.946 1.524 19 HA ALA 3 HA ALA 3 -16.365 0.837 1.637 20 HB1 ALA 3 HB1 ALA 3 -16.920 -0.802 4.072 21 HB2 ALA 3 HB2 ALA 3 -18.308 -0.247 3.134 22 HB3 ALA 3 HB3 ALA 3 -17.169 0.923 3.800 23 H LEU 4 H LEU 4 -15.638 -2.584 2.322 24 HA LEU 4 HA LEU 4 -12.883 -1.805 3.185 25 HB2 LEU 4 HB2 LEU 4 -14.852 -3.800 3.925 26 HB3 LEU 4 HB3 LEU 4 -13.320 -4.570 3.512 27 HG LEU 4 HG LEU 4 -12.193 -2.848 5.020 28 HD11 LEU 4 HD11 LEU 4 -13.910 -1.183 5.208 29 HD12 LEU 4 HD12 LEU 4 -13.776 -1.934 6.797 30 HD13 LEU 4 HD13 LEU 4 -15.102 -2.377 5.722 31 HD21 LEU 4 HD21 LEU 4 -12.913 -4.066 7.116 32 HD22 LEU 4 HD22 LEU 4 -12.452 -5.126 5.784 33 HD23 LEU 4 HD23 LEU 4 -14.157 -4.862 6.151 34 H VAL 5 H VAL 5 -14.154 -2.272 0.284 35 HA VAL 5 HA VAL 5 -12.235 -4.339 -0.689 36 HB VAL 5 HB VAL 5 -14.605 -2.871 -1.889 37 HG11 VAL 5 HG11 VAL 5 -14.293 -4.289 -3.884 38 HG12 VAL 5 HG12 VAL 5 -12.815 -4.953 -3.187 39 HG13 VAL 5 HG13 VAL 5 -12.891 -3.249 -3.634 40 HG21 VAL 5 HG21 VAL 5 -15.553 -5.173 -1.952 41 HG22 VAL 5 HG22 VAL 5 -15.151 -4.671 -0.309 42 HG23 VAL 5 HG23 VAL 5 -14.088 -5.778 -1.178 43 H ASN 6 H ASN 6 -12.965 -0.875 -0.931 44 HA ASN 6 HA ASN 6 -10.826 -0.410 -2.914 45 HB2 ASN 6 HB2 ASN 6 -13.051 1.075 -1.608 46 HB3 ASN 6 HB3 ASN 6 -11.662 2.044 -2.099 47 HD21 ASN 6 HD21 ASN 6 -10.912 1.596 -4.476 48 HD22 ASN 6 HD22 ASN 6 -12.139 1.330 -5.618 49 H SER 7 H SER 7 -11.297 -0.208 0.574 50 HA SER 7 HA SER 7 -9.182 1.573 1.272 51 HB2 SER 7 HB2 SER 7 -10.457 -0.801 2.660 52 HB3 SER 7 HB3 SER 7 -9.332 0.293 3.462 53 HG SER 7 HG SER 7 -11.962 0.629 2.843 54 H TYR 8 H TYR 8 -9.124 -2.037 1.268 55 HA TYR 8 HA TYR 8 -6.279 -2.187 1.698 56 HB2 TYR 8 HB2 TYR 8 -6.672 -4.463 1.718 57 HB3 TYR 8 HB3 TYR 8 -8.316 -3.894 1.958 58 HD1 TYR 8 HD1 TYR 8 -5.919 -5.264 -0.517 59 HD2 TYR 8 HD2 TYR 8 -10.005 -4.178 0.251 60 HE1 TYR 8 HE1 TYR 8 -6.627 -6.488 -2.553 61 HE2 TYR 8 HE2 TYR 8 -10.711 -5.399 -1.787 62 HH TYR 8 HH TYR 8 -9.525 -6.080 -4.032 63 H LEU 9 H LEU 9 -8.238 -1.823 -1.197 64 HA LEU 9 HA LEU 9 -6.379 -2.689 -3.181 65 HB2 LEU 9 HB2 LEU 9 -8.903 -1.408 -2.982 66 HB3 LEU 9 HB3 LEU 9 -7.899 -0.356 -3.976 67 HG LEU 9 HG LEU 9 -7.456 -2.104 -5.549 68 HD11 LEU 9 HD11 LEU 9 -7.043 -4.047 -4.314 69 HD12 LEU 9 HD12 LEU 9 -8.613 -4.408 -5.032 70 HD13 LEU 9 HD13 LEU 9 -8.513 -3.867 -3.357 71 HD21 LEU 9 HD21 LEU 9 -9.712 -1.061 -5.689 72 HD22 LEU 9 HD22 LEU 9 -10.351 -2.355 -4.675 73 HD23 LEU 9 HD23 LEU 9 -9.714 -2.723 -6.278 74 H TRP 10 H TRP 10 -6.810 0.496 -1.600 75 HA TRP 10 HA TRP 10 -4.611 1.714 -3.087 76 HB2 TRP 10 HB2 TRP 10 -6.667 2.865 -2.147 77 HB3 TRP 10 HB3 TRP 10 -5.977 2.633 -0.543 78 HD1 TRP 10 HD1 TRP 10 -5.624 5.204 -0.117 79 HE1 TRP 10 HE1 TRP 10 -3.928 6.913 -1.030 80 HE3 TRP 10 HE3 TRP 10 -3.751 2.582 -4.096 81 HZ2 TRP 10 HZ2 TRP 10 -2.037 7.146 -3.155 82 HZ3 TRP 10 HZ3 TRP 10 -2.008 3.578 -5.541 83 HH2 TRP 10 HH2 TRP 10 -1.148 5.855 -5.077 84 H GLN 11 H GLN 11 -5.055 0.274 0.135 85 HA GLN 11 HA GLN 11 -2.477 1.000 1.198 86 HB2 GLN 11 HB2 GLN 11 -4.514 -1.169 1.767 87 HB3 GLN 11 HB3 GLN 11 -3.047 -0.994 2.730 88 HG2 GLN 11 HG2 GLN 11 -4.609 1.492 2.285 89 HG3 GLN 11 HG3 GLN 11 -5.360 0.283 3.326 90 HE21 GLN 11 HE21 GLN 11 -2.276 2.100 2.913 91 HE22 GLN 11 HE22 GLN 11 -1.869 2.070 4.560 92 H ARG 12 H ARG 12 -3.665 -1.992 -0.384 93 HA ARG 12 HA ARG 12 -1.224 -3.463 -0.326 94 HB2 ARG 12 HB2 ARG 12 -3.518 -4.291 -0.881 95 HB3 ARG 12 HB3 ARG 12 -3.429 -3.427 -2.414 96 HG2 ARG 12 HG2 ARG 12 -1.059 -5.042 -2.077 97 HG3 ARG 12 HG3 ARG 12 -2.495 -6.043 -1.860 98 HD2 ARG 12 HD2 ARG 12 -1.898 -4.254 -4.249 99 HD3 ARG 12 HD3 ARG 12 -1.929 -6.028 -4.236 100 HE ARG 12 HE ARG 12 -4.392 -5.686 -3.413 101 HH11 ARG 12 HH11 ARG 12 -3.491 -2.667 -4.216 102 HH12 ARG 12 HH12 ARG 12 -4.530 -2.472 -5.586 103 HH21 ARG 12 HH21 ARG 12 -5.389 -5.835 -5.749 104 HH22 ARG 12 HH22 ARG 12 -5.605 -4.270 -6.458 105 H TRP 13 H TRP 13 -2.098 -0.662 -2.174 106 HA TRP 13 HA TRP 13 -0.199 -1.111 -4.366 107 HB2 TRP 13 HB2 TRP 13 -2.452 0.495 -3.774 108 HB3 TRP 13 HB3 TRP 13 -1.107 1.618 -3.942 109 HD1 TRP 13 HD1 TRP 13 -3.581 1.163 -6.000 110 HE1 TRP 13 HE1 TRP 13 -3.014 0.720 -8.478 111 HE3 TRP 13 HE3 TRP 13 1.250 -0.418 -5.527 112 HZ2 TRP 13 HZ2 TRP 13 -0.802 -0.185 -10.047 113 HZ3 TRP 13 HZ3 TRP 13 2.561 -1.058 -7.527 114 HH2 TRP 13 HH2 TRP 13 1.545 -0.945 -9.784 115 H GLU 14 H GLU 14 -0.500 1.358 -1.793 116 HA GLU 14 HA GLU 14 2.287 2.203 -2.100 117 HB2 GLU 14 HB2 GLU 14 0.015 2.906 -0.221 118 HB3 GLU 14 HB3 GLU 14 1.570 3.738 -0.223 119 HG2 GLU 14 HG2 GLU 14 0.955 3.809 -2.884 120 HG3 GLU 14 HG3 GLU 14 -0.656 3.896 -2.170 121 H ASN 15 H ASN 15 0.402 0.620 0.538 122 HA ASN 15 HA ASN 15 2.473 0.388 2.440 123 HB2 ASN 15 HB2 ASN 15 -0.119 -0.329 2.309 124 HB3 ASN 15 HB3 ASN 15 0.613 -1.915 2.061 125 HD21 ASN 15 HD21 ASN 15 2.720 -2.096 3.721 126 HD22 ASN 15 HD22 ASN 15 2.311 -1.741 5.329 127 H TRP 16 H TRP 16 1.742 -1.755 -0.339 128 HA TRP 16 HA TRP 16 3.868 -3.649 0.318 129 HB2 TRP 16 HB2 TRP 16 2.131 -4.560 -0.972 130 HB3 TRP 16 HB3 TRP 16 1.986 -3.114 -1.969 131 HD1 TRP 16 HD1 TRP 16 4.248 -6.183 -1.474 132 HE1 TRP 16 HE1 TRP 16 5.600 -6.557 -3.637 133 HE3 TRP 16 HE3 TRP 16 2.859 -2.037 -4.118 134 HZ2 TRP 16 HZ2 TRP 16 6.034 -5.277 -6.153 135 HZ3 TRP 16 HZ3 TRP 16 3.763 -1.640 -6.390 136 HH2 TRP 16 HH2 TRP 16 5.344 -3.252 -7.410 137 H PHE 17 H PHE 17 3.485 -1.051 -2.135 138 HA PHE 17 HA PHE 17 6.031 -1.264 -3.358 139 HB2 PHE 17 HB2 PHE 17 4.013 0.102 -4.052 140 HB3 PHE 17 HB3 PHE 17 4.462 1.275 -2.812 141 HD1 PHE 17 HD1 PHE 17 5.738 -0.477 -5.855 142 HD2 PHE 17 HD2 PHE 17 6.138 2.893 -3.223 143 HE1 PHE 17 HE1 PHE 17 7.376 0.544 -7.411 144 HE2 PHE 17 HE2 PHE 17 7.777 3.915 -4.779 145 HZ PHE 17 HZ PHE 17 8.396 2.741 -6.874 146 H TRP 18 H TRP 18 5.054 0.846 -0.609 147 HA TRP 18 HA TRP 18 7.690 1.912 -0.163 148 HB2 TRP 18 HB2 TRP 18 5.302 1.550 1.676 149 HB3 TRP 18 HB3 TRP 18 6.692 2.573 2.033 150 HD1 TRP 18 HD1 TRP 18 3.496 3.361 1.365 151 HE1 TRP 18 HE1 TRP 18 3.123 5.263 -0.333 152 HE3 TRP 18 HE3 TRP 18 8.057 3.396 -0.945 153 HZ2 TRP 18 HZ2 TRP 18 4.565 6.621 -2.390 154 HZ3 TRP 18 HZ3 TRP 18 8.526 5.006 -2.766 155 HH2 TRP 18 HH2 TRP 18 6.788 6.618 -3.492 156 H ASN 19 H ASN 19 6.024 -0.982 1.081 157 HA ASN 19 HA ASN 19 8.053 -1.641 3.046 158 HB2 ASN 19 HB2 ASN 19 5.614 -2.389 2.895 159 HB3 ASN 19 HB3 ASN 19 6.136 -3.517 1.644 160 HD21 ASN 19 HD21 ASN 19 7.567 -5.292 2.294 161 HD22 ASN 19 HD22 ASN 19 7.769 -5.702 3.929 162 H VAL 20 H VAL 20 7.530 -2.536 -0.366 163 HA VAL 20 HA VAL 20 9.860 -4.358 -0.346 164 HB VAL 20 HB VAL 20 7.596 -4.691 -1.524 165 HG11 VAL 20 HG11 VAL 20 7.788 -2.281 -2.515 166 HG12 VAL 20 HG12 VAL 20 7.129 -3.567 -3.523 167 HG13 VAL 20 HG13 VAL 20 8.800 -3.047 -3.737 168 HG21 VAL 20 HG21 VAL 20 8.588 -6.043 -3.159 169 HG22 VAL 20 HG22 VAL 20 9.886 -5.861 -1.978 170 HG23 VAL 20 HG23 VAL 20 9.896 -4.897 -3.455 171 H THR 21 H THR 21 9.172 -1.025 -1.176 172 HA THR 21 HA THR 21 11.761 -0.820 -2.663 173 HB THR 21 HB THR 21 9.407 1.089 -2.482 174 HG1 THR 21 HG1 THR 21 8.783 0.228 -4.401 175 HG21 THR 21 HG21 THR 21 11.799 1.024 -4.343 176 HG22 THR 21 HG22 THR 21 11.547 2.183 -3.038 177 HG23 THR 21 HG23 THR 21 10.462 2.170 -4.428 178 H LEU 22 H LEU 22 9.833 1.172 -0.391 179 HA LEU 22 HA LEU 22 12.082 2.731 0.518 180 HB2 LEU 22 HB2 LEU 22 9.220 2.408 1.060 181 HB3 LEU 22 HB3 LEU 22 10.137 2.801 2.512 182 HG LEU 22 HG LEU 22 10.411 4.344 -0.080 183 HD11 LEU 22 HD11 LEU 22 8.772 5.844 0.616 184 HD12 LEU 22 HD12 LEU 22 8.921 5.379 2.310 185 HD13 LEU 22 HD13 LEU 22 8.084 4.320 1.177 186 HD21 LEU 22 HD21 LEU 22 11.438 6.026 1.395 187 HD22 LEU 22 HD22 LEU 22 12.290 4.489 1.538 188 HD23 LEU 22 HD23 LEU 22 11.156 4.988 2.793 189 H ARG 23 H ARG 23 10.637 -0.291 1.602 190 HA ARG 23 HA ARG 23 11.275 -1.843 3.254 191 HB2 ARG 23 HB2 ARG 23 13.667 -0.642 2.020 192 HB3 ARG 23 HB3 ARG 23 13.979 -1.393 3.583 193 HG2 ARG 23 HG2 ARG 23 14.206 -3.249 2.228 194 HG3 ARG 23 HG3 ARG 23 12.473 -3.334 2.541 195 HD2 ARG 23 HD2 ARG 23 12.430 -3.465 0.224 196 HD3 ARG 23 HD3 ARG 23 12.423 -1.700 0.394 197 HE ARG 23 HE ARG 23 15.132 -2.486 0.482 198 HH11 ARG 23 HH11 ARG 23 14.145 -0.537 -1.519 199 HH12 ARG 23 HH12 ARG 23 14.371 -1.378 -3.019 200 HH21 ARG 23 HH21 ARG 23 14.680 -4.498 -1.519 201 HH22 ARG 23 HH22 ARG 23 14.668 -3.629 -3.017 202 HA PRO 24 HA PRO 24 11.410 1.566 6.486 203 HB2 PRO 24 HB2 PRO 24 8.874 1.218 7.452 204 HB3 PRO 24 HB3 PRO 24 9.252 2.315 6.109 205 HG2 PRO 24 HG2 PRO 24 8.103 -0.428 6.046 206 HG3 PRO 24 HG3 PRO 24 7.713 0.982 5.051 207 HD2 PRO 24 HD2 PRO 24 9.283 -1.083 4.200 208 HD3 PRO 24 HD3 PRO 24 9.412 0.577 3.582 209 H GLU 25 H GLU 25 11.018 1.175 8.909 210 HA GLU 25 HA GLU 25 11.372 -0.141 10.835 211 HB2 GLU 25 HB2 GLU 25 9.293 -1.222 9.263 212 HB3 GLU 25 HB3 GLU 25 10.262 -2.605 9.768 213 HG2 GLU 25 HG2 GLU 25 9.628 -2.401 11.936 214 HG3 GLU 25 HG3 GLU 25 9.809 -0.646 11.915 215 H ARG 26 H ARG 26 11.898 -2.955 11.008 216 HA ARG 26 HA ARG 26 14.653 -3.017 9.880 217 HB2 ARG 26 HB2 ARG 26 14.289 -3.289 12.309 218 HB3 ARG 26 HB3 ARG 26 13.231 -4.665 12.003 219 HG2 ARG 26 HG2 ARG 26 15.419 -5.523 12.585 220 HG3 ARG 26 HG3 ARG 26 15.164 -5.807 10.865 221 HD2 ARG 26 HD2 ARG 26 16.317 -3.350 10.746 222 HD3 ARG 26 HD3 ARG 26 17.097 -3.991 12.206 223 HE ARG 26 HE ARG 26 18.069 -5.736 10.887 224 HH11 ARG 26 HH11 ARG 26 18.404 -3.563 8.852 225 HH12 ARG 26 HH12 ARG 26 17.727 -4.284 7.431 226 HH21 ARG 26 HH21 ARG 26 16.070 -6.791 9.177 227 HH22 ARG 26 HH22 ARG 26 16.398 -6.118 7.616 Start of MODEL 23 1 HA ARG 1 HA ARG 1 -18.321 1.044 -5.399 2 HB2 ARG 1 HB2 ARG 1 -21.125 2.103 -5.070 3 HB3 ARG 1 HB3 ARG 1 -19.768 2.977 -4.360 4 HG2 ARG 1 HG2 ARG 1 -18.665 2.848 -6.669 5 HG3 ARG 1 HG3 ARG 1 -20.240 2.335 -7.276 6 HD2 ARG 1 HD2 ARG 1 -20.797 4.578 -5.671 7 HD3 ARG 1 HD3 ARG 1 -19.345 5.016 -6.593 8 HE ARG 1 HE ARG 1 -20.566 4.578 -8.652 9 HH11 ARG 1 HH11 ARG 1 -22.473 6.207 -6.802 10 HH12 ARG 1 HH12 ARG 1 -23.969 5.395 -7.121 11 HH21 ARG 1 HH21 ARG 1 -22.459 2.648 -8.624 12 HH22 ARG 1 HH22 ARG 1 -23.961 3.373 -8.157 13 H SER 2 H SER 2 -17.213 0.798 -3.488 14 HA SER 2 HA SER 2 -18.745 0.384 -0.957 15 HB2 SER 2 HB2 SER 2 -16.796 -1.451 -2.321 16 HB3 SER 2 HB3 SER 2 -16.892 -1.452 -0.562 17 HG SER 2 HG SER 2 -19.046 -1.993 -0.703 18 H ALA 3 H ALA 3 -17.423 0.801 0.961 19 HA ALA 3 HA ALA 3 -15.257 2.777 0.439 20 HB1 ALA 3 HB1 ALA 3 -16.996 3.556 1.869 21 HB2 ALA 3 HB2 ALA 3 -15.667 3.152 2.956 22 HB3 ALA 3 HB3 ALA 3 -17.029 2.045 2.778 23 H LEU 4 H LEU 4 -15.840 -0.318 2.106 24 HA LEU 4 HA LEU 4 -13.067 -0.414 3.131 25 HB2 LEU 4 HB2 LEU 4 -15.322 -1.205 4.219 26 HB3 LEU 4 HB3 LEU 4 -15.087 -2.644 3.226 27 HG LEU 4 HG LEU 4 -12.615 -2.458 4.262 28 HD11 LEU 4 HD11 LEU 4 -13.074 -0.451 5.575 29 HD12 LEU 4 HD12 LEU 4 -12.827 -1.816 6.665 30 HD13 LEU 4 HD13 LEU 4 -14.459 -1.235 6.337 31 HD21 LEU 4 HD21 LEU 4 -13.310 -4.136 5.907 32 HD22 LEU 4 HD22 LEU 4 -14.177 -4.397 4.394 33 HD23 LEU 4 HD23 LEU 4 -14.990 -3.621 5.753 34 H VAL 5 H VAL 5 -14.029 -0.733 0.098 35 HA VAL 5 HA VAL 5 -12.627 -3.325 -0.441 36 HB VAL 5 HB VAL 5 -14.545 -1.606 -2.058 37 HG11 VAL 5 HG11 VAL 5 -14.505 -3.536 -3.666 38 HG12 VAL 5 HG12 VAL 5 -13.152 -4.210 -2.757 39 HG13 VAL 5 HG13 VAL 5 -12.974 -2.663 -3.586 40 HG21 VAL 5 HG21 VAL 5 -16.010 -3.624 -1.811 41 HG22 VAL 5 HG22 VAL 5 -15.634 -2.859 -0.267 42 HG23 VAL 5 HG23 VAL 5 -14.795 -4.333 -0.747 43 H ASN 6 H ASN 6 -12.934 -0.008 -1.791 44 HA ASN 6 HA ASN 6 -10.531 -0.178 -3.395 45 HB2 ASN 6 HB2 ASN 6 -12.230 2.109 -2.341 46 HB3 ASN 6 HB3 ASN 6 -10.910 2.335 -3.490 47 HD21 ASN 6 HD21 ASN 6 -11.106 0.793 -5.519 48 HD22 ASN 6 HD22 ASN 6 -12.669 0.599 -6.152 49 H SER 7 H SER 7 -11.231 1.276 -0.184 50 HA SER 7 HA SER 7 -8.660 2.397 0.320 51 HB2 SER 7 HB2 SER 7 -10.886 1.265 2.019 52 HB3 SER 7 HB3 SER 7 -9.425 1.905 2.764 53 HG SER 7 HG SER 7 -10.234 3.808 2.444 54 H TYR 8 H TYR 8 -9.952 -0.852 1.083 55 HA TYR 8 HA TYR 8 -7.620 -1.951 2.304 56 HB2 TYR 8 HB2 TYR 8 -9.633 -3.150 2.533 57 HB3 TYR 8 HB3 TYR 8 -10.042 -2.974 0.830 58 HD1 TYR 8 HD1 TYR 8 -7.424 -4.518 3.026 59 HD2 TYR 8 HD2 TYR 8 -9.696 -4.784 -0.609 60 HE1 TYR 8 HE2 TYR 8 -6.421 -6.737 2.563 61 HE2 TYR 8 HE1 TYR 8 -8.693 -7.004 -1.073 62 HH TYR 8 HH TYR 8 -7.635 -8.902 0.463 63 H LEU 9 H LEU 9 -8.696 -1.927 -1.103 64 HA LEU 9 HA LEU 9 -6.451 -3.388 -2.174 65 HB2 LEU 9 HB2 LEU 9 -8.873 -2.066 -3.026 66 HB3 LEU 9 HB3 LEU 9 -7.559 -1.596 -4.096 67 HG LEU 9 HG LEU 9 -7.153 -3.812 -4.780 68 HD11 LEU 9 HD11 LEU 9 -8.451 -5.709 -3.491 69 HD12 LEU 9 HD12 LEU 9 -8.483 -4.530 -2.181 70 HD13 LEU 9 HD13 LEU 9 -6.940 -5.085 -2.831 71 HD21 LEU 9 HD21 LEU 9 -9.466 -4.782 -5.217 72 HD22 LEU 9 HD22 LEU 9 -9.237 -3.114 -5.742 73 HD23 LEU 9 HD23 LEU 9 -10.113 -3.456 -4.250 74 H TRP 10 H TRP 10 -7.157 0.102 -1.877 75 HA TRP 10 HA TRP 10 -4.800 1.087 -3.163 76 HB2 TRP 10 HB2 TRP 10 -6.580 2.597 -2.802 77 HB3 TRP 10 HB3 TRP 10 -6.784 2.097 -1.125 78 HD1 TRP 10 HD1 TRP 10 -4.188 3.945 -3.321 79 HE1 TRP 10 HE1 TRP 10 -2.988 5.687 -1.844 80 HE3 TRP 10 HE3 TRP 10 -6.339 2.902 1.188 81 HZ2 TRP 10 HZ2 TRP 10 -2.950 6.525 0.891 82 HZ3 TRP 10 HZ3 TRP 10 -5.705 4.183 3.211 83 HH2 TRP 10 HH2 TRP 10 -4.015 5.992 3.069 84 H GLN 11 H GLN 11 -5.479 0.375 0.288 85 HA GLN 11 HA GLN 11 -2.987 1.202 1.380 86 HB2 GLN 11 HB2 GLN 11 -5.201 -0.679 2.083 87 HB3 GLN 11 HB3 GLN 11 -3.703 -0.824 3.002 88 HG2 GLN 11 HG2 GLN 11 -3.949 1.231 3.997 89 HG3 GLN 11 HG3 GLN 11 -4.745 1.933 2.589 90 HE21 GLN 11 HE21 GLN 11 -5.422 -0.645 5.045 91 HE22 GLN 11 HE22 GLN 11 -7.062 -0.242 5.216 92 H ARG 12 H ARG 12 -3.946 -1.907 -0.089 93 HA ARG 12 HA ARG 12 -1.544 -3.365 0.504 94 HB2 ARG 12 HB2 ARG 12 -3.708 -3.529 -1.604 95 HB3 ARG 12 HB3 ARG 12 -2.397 -4.705 -1.534 96 HG2 ARG 12 HG2 ARG 12 -3.814 -4.132 1.022 97 HG3 ARG 12 HG3 ARG 12 -4.708 -5.045 -0.194 98 HD2 ARG 12 HD2 ARG 12 -2.755 -6.626 -0.363 99 HD3 ARG 12 HD3 ARG 12 -2.009 -5.767 0.999 100 HE ARG 12 HE ARG 12 -4.659 -7.160 1.161 101 HH11 ARG 12 HH11 ARG 12 -2.384 -8.545 2.419 102 HH12 ARG 12 HH12 ARG 12 -2.424 -7.971 4.053 103 HH21 ARG 12 HH21 ARG 12 -4.470 -5.256 3.322 104 HH22 ARG 12 HH22 ARG 12 -3.616 -6.104 4.567 105 H TRP 13 H TRP 13 -2.497 -1.400 -2.336 106 HA TRP 13 HA TRP 13 -0.206 -1.901 -3.950 107 HB2 TRP 13 HB2 TRP 13 -1.526 -0.640 -5.284 108 HB3 TRP 13 HB3 TRP 13 -2.543 -0.250 -3.906 109 HD1 TRP 13 HD1 TRP 13 -2.699 2.212 -3.359 110 HE1 TRP 13 HE1 TRP 13 -1.287 4.315 -3.838 111 HE3 TRP 13 HE3 TRP 13 1.284 0.077 -5.733 112 HZ2 TRP 13 HZ2 TRP 13 1.205 4.999 -5.066 113 HZ3 TRP 13 HZ3 TRP 13 3.161 1.475 -6.548 114 HH2 TRP 13 HH2 TRP 13 3.126 3.931 -6.217 115 H GLU 14 H GLU 14 -0.760 0.652 -1.491 116 HA GLU 14 HA GLU 14 1.888 1.821 -1.817 117 HB2 GLU 14 HB2 GLU 14 -0.452 2.057 0.047 118 HB3 GLU 14 HB3 GLU 14 1.086 2.782 0.523 119 HG2 GLU 14 HG2 GLU 14 0.992 3.681 -2.001 120 HG3 GLU 14 HG3 GLU 14 -0.739 3.509 -1.721 121 H ASN 15 H ASN 15 0.446 -0.591 0.372 122 HA ASN 15 HA ASN 15 2.514 -0.821 2.294 123 HB2 ASN 15 HB2 ASN 15 0.133 -2.047 1.763 124 HB3 ASN 15 HB3 ASN 15 1.258 -3.329 1.319 125 HD21 ASN 15 HD21 ASN 15 3.222 -3.385 3.108 126 HD22 ASN 15 HD22 ASN 15 2.661 -3.433 4.709 127 H TRP 16 H TRP 16 2.157 -2.544 -0.837 128 HA TRP 16 HA TRP 16 4.656 -3.979 -0.649 129 HB2 TRP 16 HB2 TRP 16 3.109 -4.851 -2.183 130 HB3 TRP 16 HB3 TRP 16 2.656 -3.256 -2.780 131 HD1 TRP 16 HD1 TRP 16 5.587 -5.757 -2.942 132 HE1 TRP 16 HE1 TRP 16 6.892 -5.336 -5.123 133 HE3 TRP 16 HE3 TRP 16 3.119 -1.628 -4.665 134 HZ2 TRP 16 HZ2 TRP 16 6.895 -3.492 -7.306 135 HZ3 TRP 16 HZ3 TRP 16 3.797 -0.561 -6.795 136 HH2 TRP 16 HH2 TRP 16 5.679 -1.486 -8.118 137 H PHE 17 H PHE 17 3.711 -0.942 -2.298 138 HA PHE 17 HA PHE 17 6.179 -0.280 -3.510 139 HB2 PHE 17 HB2 PHE 17 4.211 0.968 -4.019 140 HB3 PHE 17 HB3 PHE 17 3.895 1.312 -2.320 141 HD1 PHE 17 HD1 PHE 17 6.558 1.842 -4.916 142 HD2 PHE 17 HD2 PHE 17 4.520 3.389 -1.466 143 HE1 PHE 17 HE2 PHE 17 7.853 3.949 -5.094 144 HE2 PHE 17 HE1 PHE 17 5.814 5.495 -1.645 145 HZ PHE 17 HZ PHE 17 7.482 5.775 -3.458 146 H TRP 18 H TRP 18 4.975 0.726 -0.276 147 HA TRP 18 HA TRP 18 7.430 1.992 0.545 148 HB2 TRP 18 HB2 TRP 18 4.977 0.895 1.929 149 HB3 TRP 18 HB3 TRP 18 6.296 1.615 2.850 150 HD1 TRP 18 HD1 TRP 18 3.134 2.616 1.689 151 HE1 TRP 18 HE1 TRP 18 3.004 5.124 1.100 152 HE3 TRP 18 HE3 TRP 18 8.114 3.709 1.375 153 HZ2 TRP 18 HZ2 TRP 18 4.779 7.301 0.568 154 HZ3 TRP 18 HZ3 TRP 18 8.865 6.003 0.826 155 HH2 TRP 18 HH2 TRP 18 7.205 7.801 0.423 156 H ASN 19 H ASN 19 6.238 -1.342 0.726 157 HA ASN 19 HA ASN 19 8.039 -2.417 2.644 158 HB2 ASN 19 HB2 ASN 19 6.007 -3.443 1.435 159 HB3 ASN 19 HB3 ASN 19 7.118 -3.803 0.114 160 HD21 ASN 19 HD21 ASN 19 8.853 -5.371 0.535 161 HD22 ASN 19 HD22 ASN 19 8.774 -6.418 1.868 162 H VAL 20 H VAL 20 8.435 -2.087 -0.910 163 HA VAL 20 HA VAL 20 11.221 -3.048 -0.767 164 HB VAL 20 HB VAL 20 11.124 -2.615 -3.239 165 HG11 VAL 20 HG11 VAL 20 10.132 -4.688 -1.932 166 HG12 VAL 20 HG12 VAL 20 9.858 -4.513 -3.666 167 HG13 VAL 20 HG13 VAL 20 8.595 -4.057 -2.523 168 HG21 VAL 20 HG21 VAL 20 8.208 -1.930 -2.821 169 HG22 VAL 20 HG22 VAL 20 9.171 -1.768 -4.288 170 HG23 VAL 20 HG23 VAL 20 9.443 -0.677 -2.931 171 H THR 21 H THR 21 9.537 0.042 -0.851 172 HA THR 21 HA THR 21 11.828 1.646 -1.656 173 HB THR 21 HB THR 21 9.200 2.271 -0.267 174 HG1 THR 21 HG1 THR 21 8.630 1.800 -2.249 175 HG21 THR 21 HG21 THR 21 9.649 4.619 -1.008 176 HG22 THR 21 HG22 THR 21 11.276 4.124 -1.470 177 HG23 THR 21 HG23 THR 21 10.780 4.054 0.221 178 H LEU 22 H LEU 22 10.403 0.683 1.449 179 HA LEU 22 HA LEU 22 12.320 2.281 3.007 180 HB2 LEU 22 HB2 LEU 22 10.259 0.187 3.777 181 HB3 LEU 22 HB3 LEU 22 11.115 1.225 4.914 182 HG LEU 22 HG LEU 22 9.382 2.273 2.655 183 HD11 LEU 22 HD11 LEU 22 7.857 1.193 4.102 184 HD12 LEU 22 HD12 LEU 22 7.858 2.865 4.660 185 HD13 LEU 22 HD13 LEU 22 8.770 1.641 5.542 186 HD21 LEU 22 HD21 LEU 22 11.051 3.878 3.391 187 HD22 LEU 22 HD22 LEU 22 10.675 3.556 5.084 188 HD23 LEU 22 HD23 LEU 22 9.490 4.364 4.056 189 H ARG 23 H ARG 23 11.853 -1.126 2.126 190 HA ARG 23 HA ARG 23 14.646 -1.675 3.018 191 HB2 ARG 23 HB2 ARG 23 13.740 -3.816 4.064 192 HB3 ARG 23 HB3 ARG 23 13.288 -2.329 4.895 193 HG2 ARG 23 HG2 ARG 23 11.108 -2.346 3.705 194 HG3 ARG 23 HG3 ARG 23 11.561 -3.863 2.926 195 HD2 ARG 23 HD2 ARG 23 11.742 -4.954 5.141 196 HD3 ARG 23 HD3 ARG 23 11.263 -3.431 5.921 197 HE ARG 23 HE ARG 23 9.495 -4.711 3.869 198 HH11 ARG 23 HH11 ARG 23 9.008 -2.077 5.458 199 HH12 ARG 23 HH12 ARG 23 7.830 -2.627 6.603 200 HH21 ARG 23 HH21 ARG 23 8.440 -5.998 6.004 201 HH22 ARG 23 HH22 ARG 23 7.504 -4.855 6.909 202 HA PRO 24 HA PRO 24 13.715 -3.408 -1.164 203 HB2 PRO 24 HB2 PRO 24 16.150 -2.739 -2.235 204 HB3 PRO 24 HB3 PRO 24 14.763 -1.631 -2.208 205 HG2 PRO 24 HG2 PRO 24 17.127 -1.749 -0.396 206 HG3 PRO 24 HG3 PRO 24 16.296 -0.340 -1.076 207 HD2 PRO 24 HD2 PRO 24 15.918 -1.181 1.473 208 HD3 PRO 24 HD3 PRO 24 14.650 -0.370 0.527 209 H GLU 25 H GLU 25 14.586 -5.355 -2.068 210 HA GLU 25 HA GLU 25 16.262 -6.935 -0.190 211 HB2 GLU 25 HB2 GLU 25 14.369 -7.455 -2.465 212 HB3 GLU 25 HB3 GLU 25 15.520 -8.712 -2.014 213 HG2 GLU 25 HG2 GLU 25 13.778 -7.357 0.050 214 HG3 GLU 25 HG3 GLU 25 13.214 -8.762 -0.855 215 H ARG 26 H ARG 26 16.146 -6.333 -3.736 216 HA ARG 26 HA ARG 26 19.136 -6.467 -3.782 217 HB2 ARG 26 HB2 ARG 26 17.090 -8.065 -5.315 218 HB3 ARG 26 HB3 ARG 26 18.682 -7.769 -6.013 219 HG2 ARG 26 HG2 ARG 26 19.295 -9.632 -4.862 220 HG3 ARG 26 HG3 ARG 26 19.351 -8.546 -3.472 221 HD2 ARG 26 HD2 ARG 26 16.675 -9.172 -3.551 222 HD3 ARG 26 HD3 ARG 26 17.417 -10.691 -4.089 223 HE ARG 26 HE ARG 26 18.234 -9.278 -1.572 224 HH11 ARG 26 HH11 ARG 26 19.948 -11.498 -2.801 225 HH12 ARG 26 HH12 ARG 26 19.434 -12.867 -1.874 226 HH21 ARG 26 HH21 ARG 26 16.577 -11.292 -0.656 227 HH22 ARG 26 HH22 ARG 26 17.516 -12.751 -0.653 Start of MODEL 24 1 HA ARG 1 HA ARG 1 -12.793 4.020 -6.132 2 HB2 ARG 1 HB2 ARG 1 -13.229 6.149 -4.932 3 HB3 ARG 1 HB3 ARG 1 -12.839 6.436 -6.626 4 HG2 ARG 1 HG2 ARG 1 -15.072 6.940 -7.184 5 HG3 ARG 1 HG3 ARG 1 -15.709 6.146 -5.744 6 HD2 ARG 1 HD2 ARG 1 -15.876 8.437 -5.190 7 HD3 ARG 1 HD3 ARG 1 -14.329 7.979 -4.449 8 HE ARG 1 HE ARG 1 -14.588 9.358 -7.095 9 HH11 ARG 1 HH11 ARG 1 -13.530 10.741 -4.608 10 HH12 ARG 1 HH12 ARG 1 -11.819 10.636 -4.856 11 HH21 ARG 1 HH21 ARG 1 -12.063 8.183 -7.306 12 HH22 ARG 1 HH22 ARG 1 -10.985 9.180 -6.388 13 H SER 2 H SER 2 -13.424 3.635 -3.865 14 HA SER 2 HA SER 2 -16.332 3.198 -3.365 15 HB2 SER 2 HB2 SER 2 -14.504 1.197 -4.151 16 HB3 SER 2 HB3 SER 2 -14.729 0.970 -2.419 17 HG SER 2 HG SER 2 -16.652 0.971 -4.493 18 H ALA 3 H ALA 3 -16.180 1.973 -0.905 19 HA ALA 3 HA ALA 3 -14.663 3.971 0.739 20 HB1 ALA 3 HB1 ALA 3 -17.220 2.401 1.164 21 HB2 ALA 3 HB2 ALA 3 -17.053 4.147 0.977 22 HB3 ALA 3 HB3 ALA 3 -16.457 3.356 2.436 23 H LEU 4 H LEU 4 -15.815 0.564 0.898 24 HA LEU 4 HA LEU 4 -13.480 -0.054 2.667 25 HB2 LEU 4 HB2 LEU 4 -14.852 -1.903 3.453 26 HB3 LEU 4 HB3 LEU 4 -15.829 -0.436 3.471 27 HG LEU 4 HG LEU 4 -16.154 -1.526 0.887 28 HD11 LEU 4 HD11 LEU 4 -15.225 -3.647 1.803 29 HD12 LEU 4 HD12 LEU 4 -16.918 -3.808 1.337 30 HD13 LEU 4 HD13 LEU 4 -16.484 -3.641 3.038 31 HD21 LEU 4 HD21 LEU 4 -17.838 -0.307 2.230 32 HD22 LEU 4 HD22 LEU 4 -17.956 -1.683 3.327 33 HD23 LEU 4 HD23 LEU 4 -18.479 -1.843 1.650 34 H VAL 5 H VAL 5 -14.301 -0.277 -0.557 35 HA VAL 5 HA VAL 5 -13.023 -2.943 -0.971 36 HB VAL 5 HB VAL 5 -14.465 -1.052 -2.867 37 HG11 VAL 5 HG11 VAL 5 -14.576 -3.020 -4.351 38 HG12 VAL 5 HG12 VAL 5 -13.660 -3.963 -3.176 39 HG13 VAL 5 HG13 VAL 5 -12.900 -2.599 -3.998 40 HG21 VAL 5 HG21 VAL 5 -15.374 -3.357 -1.152 41 HG22 VAL 5 HG22 VAL 5 -16.214 -2.985 -2.657 42 HG23 VAL 5 HG23 VAL 5 -16.129 -1.778 -1.373 43 H ASN 6 H ASN 6 -12.850 0.382 -2.325 44 HA ASN 6 HA ASN 6 -10.331 -0.027 -3.676 45 HB2 ASN 6 HB2 ASN 6 -12.011 1.694 -4.266 46 HB3 ASN 6 HB3 ASN 6 -11.733 2.495 -2.720 47 HD21 ASN 6 HD21 ASN 6 -9.530 1.166 -5.279 48 HD22 ASN 6 HD22 ASN 6 -8.584 2.570 -5.386 49 H SER 7 H SER 7 -11.185 1.396 -0.494 50 HA SER 7 HA SER 7 -8.631 2.361 0.264 51 HB2 SER 7 HB2 SER 7 -11.053 2.335 1.385 52 HB3 SER 7 HB3 SER 7 -10.388 0.948 2.244 53 HG SER 7 HG SER 7 -9.757 3.637 2.407 54 H TYR 8 H TYR 8 -10.045 -0.894 0.794 55 HA TYR 8 HA TYR 8 -7.773 -2.089 2.052 56 HB2 TYR 8 HB2 TYR 8 -9.849 -3.222 2.167 57 HB3 TYR 8 HB3 TYR 8 -10.141 -3.049 0.438 58 HD1 TYR 8 HD1 TYR 8 -7.692 -4.610 2.817 59 HD2 TYR 8 HD2 TYR 8 -9.704 -4.862 -0.970 60 HE1 TYR 8 HE2 TYR 8 -6.663 -6.830 2.418 61 HE2 TYR 8 HE1 TYR 8 -8.674 -7.083 -1.369 62 HH TYR 8 HH TYR 8 -7.640 -9.006 0.594 63 H LEU 9 H LEU 9 -8.733 -1.891 -1.386 64 HA LEU 9 HA LEU 9 -6.524 -3.397 -2.453 65 HB2 LEU 9 HB2 LEU 9 -8.809 -1.840 -3.332 66 HB3 LEU 9 HB3 LEU 9 -7.409 -1.469 -4.334 67 HG LEU 9 HG LEU 9 -8.660 -3.363 -5.276 68 HD11 LEU 9 HD11 LEU 9 -6.234 -4.654 -4.085 69 HD12 LEU 9 HD12 LEU 9 -6.017 -3.227 -5.101 70 HD13 LEU 9 HD13 LEU 9 -6.802 -4.665 -5.755 71 HD21 LEU 9 HD21 LEU 9 -9.284 -5.236 -4.072 72 HD22 LEU 9 HD22 LEU 9 -9.333 -4.036 -2.782 73 HD23 LEU 9 HD23 LEU 9 -7.932 -5.094 -2.948 74 H TRP 10 H TRP 10 -7.047 0.095 -1.949 75 HA TRP 10 HA TRP 10 -4.556 1.002 -3.062 76 HB2 TRP 10 HB2 TRP 10 -6.253 2.609 -2.815 77 HB3 TRP 10 HB3 TRP 10 -6.682 2.047 -1.202 78 HD1 TRP 10 HD1 TRP 10 -3.803 3.890 -3.000 79 HE1 TRP 10 HE1 TRP 10 -2.675 5.470 -1.302 80 HE3 TRP 10 HE3 TRP 10 -6.409 2.657 1.211 81 HZ2 TRP 10 HZ2 TRP 10 -2.860 6.126 1.475 82 HZ3 TRP 10 HZ3 TRP 10 -5.916 3.774 3.368 83 HH2 TRP 10 HH2 TRP 10 -4.147 5.504 3.505 84 H GLN 11 H GLN 11 -5.538 0.167 0.285 85 HA GLN 11 HA GLN 11 -3.198 0.913 1.681 86 HB2 GLN 11 HB2 GLN 11 -5.347 -1.160 1.959 87 HB3 GLN 11 HB3 GLN 11 -3.957 -1.260 3.040 88 HG2 GLN 11 HG2 GLN 11 -4.483 0.699 4.127 89 HG3 GLN 11 HG3 GLN 11 -5.219 1.419 2.696 90 HE21 GLN 11 HE21 GLN 11 -7.336 1.886 3.457 91 HE22 GLN 11 HE22 GLN 11 -8.382 0.715 4.097 92 H ARG 12 H ARG 12 -3.919 -2.190 0.051 93 HA ARG 12 HA ARG 12 -1.452 -3.511 0.662 94 HB2 ARG 12 HB2 ARG 12 -3.802 -4.244 -0.346 95 HB3 ARG 12 HB3 ARG 12 -2.968 -3.992 -1.880 96 HG2 ARG 12 HG2 ARG 12 -1.209 -5.553 -1.228 97 HG3 ARG 12 HG3 ARG 12 -1.933 -5.744 0.370 98 HD2 ARG 12 HD2 ARG 12 -3.737 -6.996 -0.447 99 HD3 ARG 12 HD3 ARG 12 -3.582 -6.329 -2.086 100 HE ARG 12 HE ARG 12 -1.481 -8.127 -0.928 101 HH11 ARG 12 HH11 ARG 12 -3.857 -9.310 -2.462 102 HH12 ARG 12 HH12 ARG 12 -3.173 -9.483 -4.044 103 HH21 ARG 12 HH21 ARG 12 -0.476 -7.387 -3.393 104 HH22 ARG 12 HH22 ARG 12 -1.251 -8.389 -4.574 105 H TRP 13 H TRP 13 -2.375 -1.317 -1.983 106 HA TRP 13 HA TRP 13 -0.080 -1.803 -3.646 107 HB2 TRP 13 HB2 TRP 13 -1.418 -0.548 -4.966 108 HB3 TRP 13 HB3 TRP 13 -2.456 -0.207 -3.588 109 HD1 TRP 13 HD1 TRP 13 -2.644 2.229 -2.950 110 HE1 TRP 13 HE1 TRP 13 -1.279 4.373 -3.384 111 HE3 TRP 13 HE3 TRP 13 1.350 0.243 -5.428 112 HZ2 TRP 13 HZ2 TRP 13 1.187 5.140 -4.616 113 HZ3 TRP 13 HZ3 TRP 13 3.191 1.698 -6.220 114 HH2 TRP 13 HH2 TRP 13 3.116 4.143 -5.818 115 H GLU 14 H GLU 14 -0.714 0.681 -1.133 116 HA GLU 14 HA GLU 14 1.909 1.914 -1.445 117 HB2 GLU 14 HB2 GLU 14 -0.509 2.159 0.266 118 HB3 GLU 14 HB3 GLU 14 0.997 2.764 0.959 119 HG2 GLU 14 HG2 GLU 14 1.307 3.902 -1.383 120 HG3 GLU 14 HG3 GLU 14 -0.432 3.662 -1.526 121 H ASN 15 H ASN 15 0.474 -0.183 1.109 122 HA ASN 15 HA ASN 15 2.710 -0.405 2.805 123 HB2 ASN 15 HB2 ASN 15 0.226 -1.427 2.753 124 HB3 ASN 15 HB3 ASN 15 1.104 -2.855 2.205 125 HD21 ASN 15 HD21 ASN 15 3.473 -2.741 3.691 126 HD22 ASN 15 HD22 ASN 15 3.120 -2.806 5.350 127 H TRP 16 H TRP 16 2.011 -2.219 -0.193 128 HA TRP 16 HA TRP 16 4.403 -3.890 0.020 129 HB2 TRP 16 HB2 TRP 16 2.656 -4.866 -1.204 130 HB3 TRP 16 HB3 TRP 16 2.220 -3.346 -1.980 131 HD1 TRP 16 HD1 TRP 16 4.890 -6.106 -2.119 132 HE1 TRP 16 HE1 TRP 16 6.000 -6.051 -4.444 133 HE3 TRP 16 HE3 TRP 16 2.678 -1.926 -4.051 134 HZ2 TRP 16 HZ2 TRP 16 5.960 -4.445 -6.807 135 HZ3 TRP 16 HZ3 TRP 16 3.235 -1.156 -6.340 136 HH2 TRP 16 HH2 TRP 16 4.871 -2.408 -7.720 137 H PHE 17 H PHE 17 3.441 -1.035 -1.924 138 HA PHE 17 HA PHE 17 5.780 -0.725 -3.481 139 HB2 PHE 17 HB2 PHE 17 3.594 0.504 -3.657 140 HB3 PHE 17 HB3 PHE 17 4.050 1.436 -2.232 141 HD1 PHE 17 HD1 PHE 17 5.410 0.445 -5.590 142 HD2 PHE 17 HD2 PHE 17 5.182 3.453 -2.532 143 HE1 PHE 17 HE2 PHE 17 6.699 2.002 -7.025 144 HE2 PHE 17 HE1 PHE 17 6.469 5.011 -3.969 145 HZ PHE 17 HZ PHE 17 7.228 4.286 -6.216 146 H TRP 18 H TRP 18 5.035 0.854 -0.334 147 HA TRP 18 HA TRP 18 7.588 2.083 0.032 148 HB2 TRP 18 HB2 TRP 18 5.562 1.030 2.037 149 HB3 TRP 18 HB3 TRP 18 6.848 2.173 2.415 150 HD1 TRP 18 HD1 TRP 18 3.482 2.524 2.278 151 HE1 TRP 18 HE1 TRP 18 2.624 4.642 1.086 152 HE3 TRP 18 HE3 TRP 18 7.649 3.780 -0.405 153 HZ2 TRP 18 HZ2 TRP 18 3.579 6.606 -0.757 154 HZ3 TRP 18 HZ3 TRP 18 7.644 5.778 -1.867 155 HH2 TRP 18 HH2 TRP 18 5.616 7.193 -2.046 156 H ASN 19 H ASN 19 6.443 -1.193 0.749 157 HA ASN 19 HA ASN 19 8.558 -2.107 2.418 158 HB2 ASN 19 HB2 ASN 19 6.250 -3.093 1.280 159 HB3 ASN 19 HB3 ASN 19 7.493 -4.010 0.432 160 HD21 ASN 19 HD21 ASN 19 5.635 -3.975 3.259 161 HD22 ASN 19 HD22 ASN 19 6.590 -5.020 4.197 162 H VAL 20 H VAL 20 8.336 -1.951 -1.146 163 HA VAL 20 HA VAL 20 11.123 -3.016 -1.349 164 HB VAL 20 HB VAL 20 10.505 -3.338 -3.740 165 HG11 VAL 20 HG11 VAL 20 9.142 -5.214 -3.368 166 HG12 VAL 20 HG12 VAL 20 8.249 -4.426 -2.067 167 HG13 VAL 20 HG13 VAL 20 9.907 -4.965 -1.798 168 HG21 VAL 20 HG21 VAL 20 8.892 -1.375 -3.791 169 HG22 VAL 20 HG22 VAL 20 7.739 -2.394 -2.928 170 HG23 VAL 20 HG23 VAL 20 8.285 -2.852 -4.540 171 H THR 21 H THR 21 9.220 -0.099 -1.911 172 HA THR 21 HA THR 21 11.288 1.200 -3.538 173 HB THR 21 HB THR 21 8.781 2.234 -2.175 174 HG1 THR 21 HG1 THR 21 9.314 1.238 -4.776 175 HG21 THR 21 HG21 THR 21 10.810 3.474 -3.973 176 HG22 THR 21 HG22 THR 21 9.840 4.207 -2.696 177 HG23 THR 21 HG23 THR 21 9.117 3.871 -4.268 178 H LEU 22 H LEU 22 10.012 1.652 -0.223 179 HA LEU 22 HA LEU 22 12.080 3.615 0.437 180 HB2 LEU 22 HB2 LEU 22 9.877 2.181 1.924 181 HB3 LEU 22 HB3 LEU 22 11.010 3.236 2.766 182 HG LEU 22 HG LEU 22 9.398 4.115 0.356 183 HD11 LEU 22 HD11 LEU 22 7.762 5.002 1.785 184 HD12 LEU 22 HD12 LEU 22 8.816 4.923 3.197 185 HD13 LEU 22 HD13 LEU 22 8.116 3.447 2.536 186 HD21 LEU 22 HD21 LEU 22 9.978 6.382 1.522 187 HD22 LEU 22 HD22 LEU 22 11.232 5.571 0.584 188 HD23 LEU 22 HD23 LEU 22 11.230 5.450 2.344 189 H ARG 23 H ARG 23 11.298 0.660 2.265 190 HA ARG 23 HA ARG 23 12.711 -0.873 3.373 191 HB2 ARG 23 HB2 ARG 23 12.997 -1.150 0.777 192 HB3 ARG 23 HB3 ARG 23 14.593 -0.453 1.056 193 HG2 ARG 23 HG2 ARG 23 15.311 -2.262 2.339 194 HG3 ARG 23 HG3 ARG 23 13.669 -2.721 2.792 195 HD2 ARG 23 HD2 ARG 23 14.211 -4.380 1.212 196 HD3 ARG 23 HD3 ARG 23 13.398 -3.175 0.194 197 HE ARG 23 HE ARG 23 15.920 -2.255 0.039 198 HH11 ARG 23 HH11 ARG 23 17.081 -4.797 1.045 199 HH12 ARG 23 HH12 ARG 23 17.330 -5.703 -0.409 200 HH21 ARG 23 HH21 ARG 23 15.216 -3.712 -2.322 201 HH22 ARG 23 HH22 ARG 23 16.272 -5.086 -2.325 202 HA PRO 24 HA PRO 24 15.578 2.489 4.787 203 HB2 PRO 24 HB2 PRO 24 14.602 2.717 7.331 204 HB3 PRO 24 HB3 PRO 24 13.935 3.619 5.957 205 HG2 PRO 24 HG2 PRO 24 12.867 1.241 7.351 206 HG3 PRO 24 HG3 PRO 24 12.011 2.564 6.549 207 HD2 PRO 24 HD2 PRO 24 12.427 0.017 5.500 208 HD3 PRO 24 HD3 PRO 24 11.943 1.456 4.578 209 H GLU 25 H GLU 25 16.781 0.239 4.500 210 HA GLU 25 HA GLU 25 18.220 -1.401 5.396 211 HB2 GLU 25 HB2 GLU 25 18.603 1.071 6.585 212 HB3 GLU 25 HB3 GLU 25 18.457 -0.002 7.975 213 HG2 GLU 25 HG2 GLU 25 20.299 -1.312 7.316 214 HG3 GLU 25 HG3 GLU 25 20.225 -0.740 5.649 215 H ARG 26 H ARG 26 15.783 -2.432 5.591 216 HA ARG 26 HA ARG 26 14.430 -3.951 6.771 217 HB2 ARG 26 HB2 ARG 26 16.772 -4.846 7.131 218 HB3 ARG 26 HB3 ARG 26 16.799 -3.990 8.672 219 HG2 ARG 26 HG2 ARG 26 16.094 -6.169 9.251 220 HG3 ARG 26 HG3 ARG 26 14.595 -5.242 9.186 221 HD2 ARG 26 HD2 ARG 26 14.413 -6.012 6.730 222 HD3 ARG 26 HD3 ARG 26 15.667 -7.200 7.141 223 HE ARG 26 HE ARG 26 14.116 -7.919 9.033 224 HH11 ARG 26 HH11 ARG 26 13.080 -8.810 6.346 225 HH12 ARG 26 HH12 ARG 26 11.424 -8.314 6.421 226 HH21 ARG 26 HH21 ARG 26 11.918 -6.163 9.106 227 HH22 ARG 26 HH22 ARG 26 10.761 -6.809 7.990 Start of MODEL 25 1 HA ARG 1 HA ARG 1 -17.617 -0.809 -7.491 2 HB2 ARG 1 HB2 ARG 1 -20.228 0.195 -8.187 3 HB3 ARG 1 HB3 ARG 1 -19.651 1.045 -6.754 4 HG2 ARG 1 HG2 ARG 1 -17.667 1.772 -7.858 5 HG3 ARG 1 HG3 ARG 1 -17.913 0.651 -9.198 6 HD2 ARG 1 HD2 ARG 1 -19.861 1.898 -9.963 7 HD3 ARG 1 HD3 ARG 1 -19.780 2.961 -8.544 8 HE ARG 1 HE ARG 1 -17.254 2.913 -9.974 9 HH11 ARG 1 HH11 ARG 1 -18.225 5.403 -8.773 10 HH12 ARG 1 HH12 ARG 1 -18.779 6.319 -10.134 11 HH21 ARG 1 HH21 ARG 1 -18.929 3.567 -12.254 12 HH22 ARG 1 HH22 ARG 1 -19.178 5.275 -12.113 13 H SER 2 H SER 2 -16.847 -0.178 -5.430 14 HA SER 2 HA SER 2 -18.602 -0.550 -3.057 15 HB2 SER 2 HB2 SER 2 -16.882 -2.541 -4.042 16 HB3 SER 2 HB3 SER 2 -16.012 -1.828 -2.688 17 HG SER 2 HG SER 2 -18.455 -3.193 -2.757 18 H ALA 3 H ALA 3 -17.729 0.502 -1.154 19 HA ALA 3 HA ALA 3 -15.753 2.644 -1.786 20 HB1 ALA 3 HB1 ALA 3 -16.727 3.698 0.213 21 HB2 ALA 3 HB2 ALA 3 -17.638 2.227 0.558 22 HB3 ALA 3 HB3 ALA 3 -18.009 3.178 -0.881 23 H LEU 4 H LEU 4 -16.288 -0.063 0.466 24 HA LEU 4 HA LEU 4 -13.874 0.534 2.022 25 HB2 LEU 4 HB2 LEU 4 -14.537 -1.477 3.252 26 HB3 LEU 4 HB3 LEU 4 -15.951 -0.467 2.968 27 HG LEU 4 HG LEU 4 -15.680 -2.210 0.722 28 HD11 LEU 4 HD11 LEU 4 -14.309 -3.638 2.216 29 HD12 LEU 4 HD12 LEU 4 -15.846 -4.404 1.817 30 HD13 LEU 4 HD13 LEU 4 -15.622 -3.647 3.394 31 HD21 LEU 4 HD21 LEU 4 -17.622 -2.209 3.056 32 HD22 LEU 4 HD22 LEU 4 -17.894 -2.992 1.499 33 HD23 LEU 4 HD23 LEU 4 -17.775 -1.235 1.593 34 H VAL 5 H VAL 5 -14.638 -1.362 -0.801 35 HA VAL 5 HA VAL 5 -12.448 -3.248 -0.641 36 HB VAL 5 HB VAL 5 -14.141 -2.161 -2.916 37 HG11 VAL 5 HG11 VAL 5 -13.341 -4.298 -4.080 38 HG12 VAL 5 HG12 VAL 5 -12.069 -4.366 -2.860 39 HG13 VAL 5 HG13 VAL 5 -12.161 -2.993 -3.962 40 HG21 VAL 5 HG21 VAL 5 -15.433 -3.418 -1.297 41 HG22 VAL 5 HG22 VAL 5 -14.219 -4.696 -1.250 42 HG23 VAL 5 HG23 VAL 5 -15.186 -4.452 -2.704 43 H ASN 6 H ASN 6 -12.857 -0.137 -2.379 44 HA ASN 6 HA ASN 6 -10.276 -0.066 -3.605 45 HB2 ASN 6 HB2 ASN 6 -12.555 1.424 -3.658 46 HB3 ASN 6 HB3 ASN 6 -11.516 2.477 -2.697 47 HD21 ASN 6 HD21 ASN 6 -12.383 1.841 -5.865 48 HD22 ASN 6 HD22 ASN 6 -10.988 2.412 -6.646 49 H SER 7 H SER 7 -11.397 1.026 -0.399 50 HA SER 7 HA SER 7 -9.018 2.398 0.418 51 HB2 SER 7 HB2 SER 7 -11.403 2.274 1.436 52 HB3 SER 7 HB3 SER 7 -10.847 0.797 2.217 53 HG SER 7 HG SER 7 -10.403 2.455 3.608 54 H TYR 8 H TYR 8 -10.049 -1.003 0.914 55 HA TYR 8 HA TYR 8 -7.647 -1.816 2.297 56 HB2 TYR 8 HB2 TYR 8 -9.138 -3.478 2.676 57 HB3 TYR 8 HB3 TYR 8 -10.176 -2.891 1.386 58 HD1 TYR 8 HD1 TYR 8 -7.136 -4.973 2.035 59 HD2 TYR 8 HD2 TYR 8 -10.389 -4.093 -0.629 60 HE1 TYR 8 HE2 TYR 8 -6.545 -6.950 0.658 61 HE2 TYR 8 HE1 TYR 8 -9.799 -6.068 -2.004 62 HH TYR 8 HH TYR 8 -8.614 -8.192 -1.769 63 H LEU 9 H LEU 9 -8.642 -1.899 -1.131 64 HA LEU 9 HA LEU 9 -6.343 -3.342 -2.118 65 HB2 LEU 9 HB2 LEU 9 -8.753 -2.441 -3.088 66 HB3 LEU 9 HB3 LEU 9 -7.631 -1.330 -3.865 67 HG LEU 9 HG LEU 9 -8.008 -3.314 -5.275 68 HD11 LEU 9 HD11 LEU 9 -5.750 -2.164 -5.155 69 HD12 LEU 9 HD12 LEU 9 -5.708 -3.832 -5.727 70 HD13 LEU 9 HD13 LEU 9 -5.235 -3.455 -4.070 71 HD21 LEU 9 HD21 LEU 9 -7.313 -5.534 -4.524 72 HD22 LEU 9 HD22 LEU 9 -8.512 -4.887 -3.405 73 HD23 LEU 9 HD23 LEU 9 -6.803 -4.877 -2.969 74 H TRP 10 H TRP 10 -7.089 0.148 -1.857 75 HA TRP 10 HA TRP 10 -4.699 1.147 -3.054 76 HB2 TRP 10 HB2 TRP 10 -6.772 2.430 -2.540 77 HB3 TRP 10 HB3 TRP 10 -6.398 2.311 -0.823 78 HD1 TRP 10 HD1 TRP 10 -5.936 4.825 -0.369 79 HE1 TRP 10 HE1 TRP 10 -4.104 6.470 -1.129 80 HE3 TRP 10 HE3 TRP 10 -3.757 2.079 -4.086 81 HZ2 TRP 10 HZ2 TRP 10 -2.000 6.609 -3.058 82 HZ3 TRP 10 HZ3 TRP 10 -1.846 2.991 -5.367 83 HH2 TRP 10 HH2 TRP 10 -0.963 5.251 -4.858 84 H GLN 11 H GLN 11 -5.402 0.182 0.308 85 HA GLN 11 HA GLN 11 -2.966 1.126 1.486 86 HB2 GLN 11 HB2 GLN 11 -5.052 0.383 2.667 87 HB3 GLN 11 HB3 GLN 11 -4.679 -1.280 2.210 88 HG2 GLN 11 HG2 GLN 11 -2.307 -0.482 3.332 89 HG3 GLN 11 HG3 GLN 11 -3.474 0.408 4.310 90 HE21 GLN 11 HE21 GLN 11 -4.433 -0.763 5.988 91 HE22 GLN 11 HE22 GLN 11 -4.456 -2.456 6.096 92 H ARG 12 H ARG 12 -3.844 -2.121 0.219 93 HA ARG 12 HA ARG 12 -1.307 -3.375 0.621 94 HB2 ARG 12 HB2 ARG 12 -3.829 -3.830 -0.776 95 HB3 ARG 12 HB3 ARG 12 -2.465 -4.459 -1.698 96 HG2 ARG 12 HG2 ARG 12 -2.203 -6.177 -0.265 97 HG3 ARG 12 HG3 ARG 12 -2.157 -5.083 1.117 98 HD2 ARG 12 HD2 ARG 12 -4.717 -4.955 0.914 99 HD3 ARG 12 HD3 ARG 12 -4.584 -6.354 -0.171 100 HE ARG 12 HE ARG 12 -3.278 -7.455 1.752 101 HH11 ARG 12 HH11 ARG 12 -3.540 -4.900 3.457 102 HH12 ARG 12 HH12 ARG 12 -4.808 -5.368 4.539 103 HH21 ARG 12 HH21 ARG 12 -5.810 -8.082 2.612 104 HH22 ARG 12 HH22 ARG 12 -6.099 -7.176 4.059 105 H TRP 13 H TRP 13 -2.561 -1.374 -2.026 106 HA TRP 13 HA TRP 13 -0.565 -1.731 -4.004 107 HB2 TRP 13 HB2 TRP 13 -2.771 -0.073 -3.453 108 HB3 TRP 13 HB3 TRP 13 -1.422 1.039 -3.649 109 HD1 TRP 13 HD1 TRP 13 -3.881 0.593 -5.712 110 HE1 TRP 13 HE1 TRP 13 -3.313 0.057 -8.172 111 HE3 TRP 13 HE3 TRP 13 0.899 -1.105 -5.160 112 HZ2 TRP 13 HZ2 TRP 13 -1.117 -0.957 -9.698 113 HZ3 TRP 13 HZ3 TRP 13 2.207 -1.848 -7.130 114 HH2 TRP 13 HH2 TRP 13 1.206 -1.774 -9.396 115 H GLU 14 H GLU 14 -0.705 0.681 -1.384 116 HA GLU 14 HA GLU 14 2.000 1.670 -1.867 117 HB2 GLU 14 HB2 GLU 14 0.125 2.053 0.491 118 HB3 GLU 14 HB3 GLU 14 1.444 3.119 0.006 119 HG2 GLU 14 HG2 GLU 14 0.251 3.434 -2.209 120 HG3 GLU 14 HG3 GLU 14 -1.121 2.570 -1.516 121 H ASN 15 H ASN 15 0.464 -0.646 0.331 122 HA ASN 15 HA ASN 15 2.389 -0.996 2.337 123 HB2 ASN 15 HB2 ASN 15 0.091 -2.229 1.529 124 HB3 ASN 15 HB3 ASN 15 1.277 -3.461 1.103 125 HD21 ASN 15 HD21 ASN 15 3.139 -3.371 3.124 126 HD22 ASN 15 HD22 ASN 15 2.412 -3.635 4.633 127 H TRP 16 H TRP 16 2.324 -2.584 -0.883 128 HA TRP 16 HA TRP 16 4.908 -3.877 -0.535 129 HB2 TRP 16 HB2 TRP 16 3.511 -4.932 -2.089 130 HB3 TRP 16 HB3 TRP 16 2.910 -3.405 -2.734 131 HD1 TRP 16 HD1 TRP 16 5.973 -5.715 -2.878 132 HE1 TRP 16 HE1 TRP 16 7.315 -5.168 -5.011 133 HE3 TRP 16 HE3 TRP 16 3.388 -1.629 -4.529 134 HZ2 TRP 16 HZ2 TRP 16 7.294 -3.255 -7.136 135 HZ3 TRP 16 HZ3 TRP 16 4.071 -0.465 -6.606 136 HH2 TRP 16 HH2 TRP 16 6.019 -1.272 -7.911 137 H PHE 17 H PHE 17 3.770 -0.960 -2.270 138 HA PHE 17 HA PHE 17 6.169 -0.134 -3.493 139 HB2 PHE 17 HB2 PHE 17 3.821 0.816 -3.682 140 HB3 PHE 17 HB3 PHE 17 4.108 1.643 -2.151 141 HD1 PHE 17 HD1 PHE 17 5.235 1.346 -5.675 142 HD2 PHE 17 HD2 PHE 17 5.512 3.587 -2.021 143 HE1 PHE 17 HE2 PHE 17 6.419 3.162 -6.878 144 HE2 PHE 17 HE1 PHE 17 6.697 5.402 -3.224 145 HZ PHE 17 HZ PHE 17 7.150 5.191 -5.653 146 H TRP 18 H TRP 18 4.971 0.709 -0.214 147 HA TRP 18 HA TRP 18 7.351 2.188 0.523 148 HB2 TRP 18 HB2 TRP 18 5.137 0.865 2.128 149 HB3 TRP 18 HB3 TRP 18 6.332 1.963 2.814 150 HD1 TRP 18 HD1 TRP 18 3.006 2.281 2.232 151 HE1 TRP 18 HE1 TRP 18 2.266 4.531 1.217 152 HE3 TRP 18 HE3 TRP 18 7.480 3.935 0.397 153 HZ2 TRP 18 HZ2 TRP 18 3.419 6.739 -0.187 154 HZ3 TRP 18 HZ3 TRP 18 7.627 6.113 -0.772 155 HH2 TRP 18 HH2 TRP 18 5.604 7.516 -1.066 156 H ASN 19 H ASN 19 6.272 -1.180 1.019 157 HA ASN 19 HA ASN 19 8.405 -2.010 2.736 158 HB2 ASN 19 HB2 ASN 19 6.167 -3.139 2.037 159 HB3 ASN 19 HB3 ASN 19 7.075 -3.749 0.654 160 HD21 ASN 19 HD21 ASN 19 6.723 -3.967 4.170 161 HD22 ASN 19 HD22 ASN 19 7.748 -5.307 4.366 162 H VAL 20 H VAL 20 8.069 -2.488 -0.819 163 HA VAL 20 HA VAL 20 10.742 -3.483 -1.187 164 HB VAL 20 HB VAL 20 8.686 -3.739 -2.665 165 HG11 VAL 20 HG11 VAL 20 9.504 -1.165 -3.974 166 HG12 VAL 20 HG12 VAL 20 8.398 -1.114 -2.603 167 HG13 VAL 20 HG13 VAL 20 7.962 -2.018 -4.052 168 HG21 VAL 20 HG21 VAL 20 9.988 -3.856 -4.706 169 HG22 VAL 20 HG22 VAL 20 11.034 -4.316 -3.361 170 HG23 VAL 20 HG23 VAL 20 11.167 -2.706 -4.073 171 H THR 21 H THR 21 9.518 -0.193 -0.928 172 HA THR 21 HA THR 21 11.948 0.958 -2.164 173 HB THR 21 HB THR 21 9.459 2.135 -0.896 174 HG1 THR 21 HG1 THR 21 8.760 1.567 -2.792 175 HG21 THR 21 HG21 THR 21 11.788 3.471 -2.298 176 HG22 THR 21 HG22 THR 21 11.243 3.745 -0.643 177 HG23 THR 21 HG23 THR 21 10.239 4.260 -1.998 178 H LEU 22 H LEU 22 10.495 0.623 1.058 179 HA LEU 22 HA LEU 22 12.678 2.154 2.329 180 HB2 LEU 22 HB2 LEU 22 10.314 0.614 3.449 181 HB3 LEU 22 HB3 LEU 22 11.355 1.690 4.378 182 HG LEU 22 HG LEU 22 9.903 2.656 1.910 183 HD11 LEU 22 HD11 LEU 22 8.899 2.768 4.771 184 HD12 LEU 22 HD12 LEU 22 8.249 1.708 3.519 185 HD13 LEU 22 HD13 LEU 22 8.104 3.458 3.356 186 HD21 LEU 22 HD21 LEU 22 11.291 3.894 4.282 187 HD22 LEU 22 HD22 LEU 22 10.086 4.808 3.376 188 HD23 LEU 22 HD23 LEU 22 11.536 4.217 2.566 189 H ARG 23 H ARG 23 11.548 -1.213 2.167 190 HA ARG 23 HA ARG 23 14.261 -2.160 2.904 191 HB2 ARG 23 HB2 ARG 23 12.395 -1.724 4.863 192 HB3 ARG 23 HB3 ARG 23 12.061 -3.405 4.455 193 HG2 ARG 23 HG2 ARG 23 13.717 -3.565 6.129 194 HG3 ARG 23 HG3 ARG 23 14.626 -3.746 4.631 195 HD2 ARG 23 HD2 ARG 23 15.825 -2.163 6.033 196 HD3 ARG 23 HD3 ARG 23 15.072 -1.236 4.723 197 HE ARG 23 HE ARG 23 13.244 -0.651 6.312 198 HH11 ARG 23 HH11 ARG 23 13.733 -2.766 8.368 199 HH12 ARG 23 HH12 ARG 23 14.540 -1.882 9.620 200 HH21 ARG 23 HH21 ARG 23 15.328 0.812 7.570 201 HH22 ARG 23 HH22 ARG 23 15.448 0.152 9.166 202 HA PRO 24 HA PRO 24 12.198 -4.804 -0.226 203 HB2 PRO 24 HB2 PRO 24 14.457 -5.264 -1.701 204 HB3 PRO 24 HB3 PRO 24 13.441 -3.824 -1.907 205 HG2 PRO 24 HG2 PRO 24 16.033 -4.124 -0.492 206 HG3 PRO 24 HG3 PRO 24 15.411 -2.764 -1.438 207 HD2 PRO 24 HD2 PRO 24 15.450 -2.861 1.310 208 HD3 PRO 24 HD3 PRO 24 14.347 -1.848 0.354 209 H GLU 25 H GLU 25 12.260 -6.147 1.935 210 HA GLU 25 HA GLU 25 14.450 -8.167 1.989 211 HB2 GLU 25 HB2 GLU 25 12.217 -7.283 3.819 212 HB3 GLU 25 HB3 GLU 25 13.055 -8.808 4.105 213 HG2 GLU 25 HG2 GLU 25 15.231 -7.531 4.048 214 HG3 GLU 25 HG3 GLU 25 14.287 -6.042 3.996 215 H ARG 26 H ARG 26 10.893 -7.952 1.685 216 HA ARG 26 HA ARG 26 10.858 -10.415 0.062 217 HB2 ARG 26 HB2 ARG 26 10.808 -10.880 2.647 218 HB3 ARG 26 HB3 ARG 26 9.137 -10.326 2.535 219 HG2 ARG 26 HG2 ARG 26 9.591 -12.128 0.369 220 HG3 ARG 26 HG3 ARG 26 10.206 -12.892 1.834 221 HD2 ARG 26 HD2 ARG 26 7.891 -13.501 1.739 222 HD3 ARG 26 HD3 ARG 26 7.962 -12.180 2.923 223 HE ARG 26 HE ARG 26 7.039 -10.683 1.267 224 HH11 ARG 26 HH11 ARG 26 5.477 -13.346 0.859 225 HH12 ARG 26 HH12 ARG 26 5.422 -13.402 -0.871 226 HH21 ARG 26 HH21 ARG 26 7.876 -10.972 -1.287 227 HH22 ARG 26 HH22 ARG 26 6.787 -12.054 -2.091 Start of MODEL 26 1 HA ARG 1 HA ARG 1 -16.917 3.533 -4.635 2 HB2 ARG 1 HB2 ARG 1 -14.386 3.667 -5.700 3 HB3 ARG 1 HB3 ARG 1 -14.323 2.126 -4.846 4 HG2 ARG 1 HG2 ARG 1 -16.326 1.355 -6.018 5 HG3 ARG 1 HG3 ARG 1 -16.486 2.918 -6.818 6 HD2 ARG 1 HD2 ARG 1 -14.246 2.567 -7.884 7 HD3 ARG 1 HD3 ARG 1 -14.199 0.945 -7.165 8 HE ARG 1 HE ARG 1 -16.375 0.510 -8.410 9 HH11 ARG 1 HH11 ARG 1 -16.784 3.316 -9.395 10 HH12 ARG 1 HH12 ARG 1 -16.196 3.220 -11.022 11 HH21 ARG 1 HH21 ARG 1 -14.496 0.232 -10.509 12 HH22 ARG 1 HH22 ARG 1 -14.897 1.467 -11.656 13 H SER 2 H SER 2 -17.934 2.226 -3.166 14 HA SER 2 HA SER 2 -18.302 0.825 -1.306 15 HB2 SER 2 HB2 SER 2 -16.680 -0.453 -2.846 16 HB3 SER 2 HB3 SER 2 -15.410 0.029 -1.724 17 HG SER 2 HG SER 2 -16.614 -2.064 -1.388 18 H ALA 3 H ALA 3 -16.151 0.010 0.595 19 HA ALA 3 HA ALA 3 -15.266 2.583 1.792 20 HB1 ALA 3 HB1 ALA 3 -17.531 2.279 2.613 21 HB2 ALA 3 HB2 ALA 3 -16.418 1.918 3.933 22 HB3 ALA 3 HB3 ALA 3 -17.193 0.604 3.047 23 H LEU 4 H LEU 4 -15.579 -0.933 2.524 24 HA LEU 4 HA LEU 4 -12.860 -0.874 3.749 25 HB2 LEU 4 HB2 LEU 4 -15.088 -1.828 4.760 26 HB3 LEU 4 HB3 LEU 4 -14.753 -3.214 3.722 27 HG LEU 4 HG LEU 4 -12.301 -2.841 4.849 28 HD11 LEU 4 HD11 LEU 4 -12.629 -2.410 7.250 29 HD12 LEU 4 HD12 LEU 4 -14.350 -2.137 6.975 30 HD13 LEU 4 HD13 LEU 4 -13.162 -1.023 6.299 31 HD21 LEU 4 HD21 LEU 4 -14.565 -4.408 6.127 32 HD22 LEU 4 HD22 LEU 4 -12.841 -4.760 6.245 33 HD23 LEU 4 HD23 LEU 4 -13.673 -4.939 4.701 34 H VAL 5 H VAL 5 -14.029 -1.375 0.697 35 HA VAL 5 HA VAL 5 -12.321 -3.753 0.116 36 HB VAL 5 HB VAL 5 -14.350 -2.203 -1.538 37 HG11 VAL 5 HG11 VAL 5 -14.223 -4.359 -2.941 38 HG12 VAL 5 HG12 VAL 5 -12.715 -4.685 -2.086 39 HG13 VAL 5 HG13 VAL 5 -12.869 -3.238 -3.082 40 HG21 VAL 5 HG21 VAL 5 -15.611 -4.444 -1.209 41 HG22 VAL 5 HG22 VAL 5 -15.555 -3.335 0.162 42 HG23 VAL 5 HG23 VAL 5 -14.479 -4.732 0.112 43 H ASN 6 H ASN 6 -12.955 -0.507 -1.300 44 HA ASN 6 HA ASN 6 -10.582 -0.449 -2.924 45 HB2 ASN 6 HB2 ASN 6 -12.875 1.134 -2.380 46 HB3 ASN 6 HB3 ASN 6 -11.477 2.172 -2.102 47 HD21 ASN 6 HD21 ASN 6 -12.895 -0.042 -4.554 48 HD22 ASN 6 HD22 ASN 6 -12.163 0.721 -5.883 49 H SER 7 H SER 7 -11.232 0.609 0.417 50 HA SER 7 HA SER 7 -8.895 2.136 0.922 51 HB2 SER 7 HB2 SER 7 -10.630 0.304 2.592 52 HB3 SER 7 HB3 SER 7 -9.300 1.215 3.303 53 HG SER 7 HG SER 7 -11.750 2.051 2.721 54 H TYR 8 H TYR 8 -9.425 -1.389 1.285 55 HA TYR 8 HA TYR 8 -6.682 -1.981 2.023 56 HB2 TYR 8 HB2 TYR 8 -8.322 -3.551 2.684 57 HB3 TYR 8 HB3 TYR 8 -9.119 -3.515 1.112 58 HD1 TYR 8 HD1 TYR 8 -5.865 -4.456 2.722 59 HD2 TYR 8 HD2 TYR 8 -8.642 -5.171 -0.477 60 HE1 TYR 8 HE1 TYR 8 -4.507 -6.393 1.975 61 HE2 TYR 8 HE2 TYR 8 -7.287 -7.110 -1.221 62 HH TYR 8 HH TYR 8 -5.169 -8.660 0.549 63 H LEU 9 H LEU 9 -8.530 -2.013 -1.031 64 HA LEU 9 HA LEU 9 -6.592 -3.189 -2.744 65 HB2 LEU 9 HB2 LEU 9 -8.876 -1.257 -2.997 66 HB3 LEU 9 HB3 LEU 9 -7.842 -1.508 -4.399 67 HG LEU 9 HG LEU 9 -9.152 -3.763 -2.854 68 HD11 LEU 9 HD11 LEU 9 -10.001 -2.723 -5.561 69 HD12 LEU 9 HD12 LEU 9 -10.720 -2.115 -4.070 70 HD13 LEU 9 HD13 LEU 9 -10.871 -3.821 -4.490 71 HD21 LEU 9 HD21 LEU 9 -7.319 -4.665 -4.022 72 HD22 LEU 9 HD22 LEU 9 -7.504 -3.543 -5.370 73 HD23 LEU 9 HD23 LEU 9 -8.643 -4.874 -5.168 74 H TRP 10 H TRP 10 -7.082 0.249 -1.866 75 HA TRP 10 HA TRP 10 -4.799 1.201 -3.401 76 HB2 TRP 10 HB2 TRP 10 -6.499 2.780 -3.021 77 HB3 TRP 10 HB3 TRP 10 -6.723 2.280 -1.346 78 HD1 TRP 10 HD1 TRP 10 -4.217 4.190 -3.563 79 HE1 TRP 10 HE1 TRP 10 -2.893 5.823 -2.071 80 HE3 TRP 10 HE3 TRP 10 -6.027 2.861 1.023 81 HZ2 TRP 10 HZ2 TRP 10 -2.636 6.477 0.701 82 HZ3 TRP 10 HZ3 TRP 10 -5.225 4.001 3.070 83 HH2 TRP 10 HH2 TRP 10 -3.533 5.807 2.915 84 H GLN 11 H GLN 11 -5.389 0.658 0.106 85 HA GLN 11 HA GLN 11 -2.839 1.422 1.080 86 HB2 GLN 11 HB2 GLN 11 -5.025 0.788 2.291 87 HB3 GLN 11 HB3 GLN 11 -4.493 -0.885 2.129 88 HG2 GLN 11 HG2 GLN 11 -3.592 -0.350 4.203 89 HG3 GLN 11 HG3 GLN 11 -2.241 0.063 3.148 90 HE21 GLN 11 HE21 GLN 11 -1.574 2.258 3.099 91 HE22 GLN 11 HE22 GLN 11 -2.375 3.504 3.927 92 H ARG 12 H ARG 12 -3.938 -1.730 -0.194 93 HA ARG 12 HA ARG 12 -1.587 -3.248 0.381 94 HB2 ARG 12 HB2 ARG 12 -3.946 -3.929 -0.429 95 HB3 ARG 12 HB3 ARG 12 -3.353 -3.570 -2.051 96 HG2 ARG 12 HG2 ARG 12 -1.481 -5.215 -0.514 97 HG3 ARG 12 HG3 ARG 12 -3.054 -5.988 -0.712 98 HD2 ARG 12 HD2 ARG 12 -1.618 -4.718 -3.056 99 HD3 ARG 12 HD3 ARG 12 -1.346 -6.409 -2.591 100 HE ARG 12 HE ARG 12 -4.078 -5.335 -3.205 101 HH11 ARG 12 HH11 ARG 12 -2.618 -6.648 -5.447 102 HH12 ARG 12 HH12 ARG 12 -3.156 -8.290 -5.332 103 HH21 ARG 12 HH21 ARG 12 -4.358 -7.937 -2.084 104 HH22 ARG 12 HH22 ARG 12 -4.148 -9.023 -3.416 105 H TRP 13 H TRP 13 -2.420 -1.173 -2.407 106 HA TRP 13 HA TRP 13 -0.133 -1.856 -4.019 107 HB2 TRP 13 HB2 TRP 13 -1.396 -0.608 -5.427 108 HB3 TRP 13 HB3 TRP 13 -2.439 -0.157 -4.087 109 HD1 TRP 13 HD1 TRP 13 -2.578 2.325 -3.653 110 HE1 TRP 13 HE1 TRP 13 -1.105 4.384 -4.142 111 HE3 TRP 13 HE3 TRP 13 1.466 0.040 -5.774 112 HZ2 TRP 13 HZ2 TRP 13 1.450 4.983 -5.277 113 HZ3 TRP 13 HZ3 TRP 13 3.403 1.377 -6.550 114 HH2 TRP 13 HH2 TRP 13 3.400 3.843 -6.304 115 H GLU 14 H GLU 14 -0.727 0.849 -1.739 116 HA GLU 14 HA GLU 14 1.937 1.958 -1.962 117 HB2 GLU 14 HB2 GLU 14 -0.420 2.205 -0.105 118 HB3 GLU 14 HB3 GLU 14 1.105 2.990 0.308 119 HG2 GLU 14 HG2 GLU 14 0.827 3.669 -2.340 120 HG3 GLU 14 HG3 GLU 14 -0.848 3.675 -1.789 121 H ASN 15 H ASN 15 0.455 -0.530 0.082 122 HA ASN 15 HA ASN 15 2.407 -0.769 2.126 123 HB2 ASN 15 HB2 ASN 15 0.160 -1.964 1.817 124 HB3 ASN 15 HB3 ASN 15 0.997 -3.055 0.714 125 HD21 ASN 15 HD21 ASN 15 2.957 -4.232 1.683 126 HD22 ASN 15 HD22 ASN 15 2.911 -4.618 3.335 127 H TRP 16 H TRP 16 2.265 -2.382 -1.076 128 HA TRP 16 HA TRP 16 4.871 -3.635 -0.839 129 HB2 TRP 16 HB2 TRP 16 3.349 -4.622 -2.353 130 HB3 TRP 16 HB3 TRP 16 2.858 -3.065 -3.018 131 HD1 TRP 16 HD1 TRP 16 5.662 -5.657 -3.186 132 HE1 TRP 16 HE1 TRP 16 7.097 -5.196 -5.276 133 HE3 TRP 16 HE3 TRP 16 3.593 -1.244 -4.723 134 HZ2 TRP 16 HZ2 TRP 16 7.328 -3.227 -7.335 135 HZ3 TRP 16 HZ3 TRP 16 4.442 -0.103 -6.754 136 HH2 TRP 16 HH2 TRP 16 6.304 -1.088 -8.057 137 H PHE 17 H PHE 17 3.663 -0.653 -2.390 138 HA PHE 17 HA PHE 17 5.996 0.244 -3.694 139 HB2 PHE 17 HB2 PHE 17 3.681 1.196 -3.788 140 HB3 PHE 17 HB3 PHE 17 3.924 1.866 -2.177 141 HD1 PHE 17 HD1 PHE 17 5.959 1.683 -5.337 142 HD2 PHE 17 HD2 PHE 17 4.380 4.143 -2.188 143 HE1 PHE 17 HE1 PHE 17 7.071 3.665 -6.326 144 HE2 PHE 17 HE2 PHE 17 5.493 6.125 -3.178 145 HZ PHE 17 HZ PHE 17 6.838 5.887 -5.248 146 H TRP 18 H TRP 18 5.160 0.385 -0.247 147 HA TRP 18 HA TRP 18 7.658 1.922 0.313 148 HB2 TRP 18 HB2 TRP 18 5.146 1.268 1.873 149 HB3 TRP 18 HB3 TRP 18 6.534 2.077 2.600 150 HD1 TRP 18 HD1 TRP 18 3.392 3.005 1.320 151 HE1 TRP 18 HE1 TRP 18 3.374 5.348 0.244 152 HE3 TRP 18 HE3 TRP 18 8.411 3.735 0.727 153 HZ2 TRP 18 HZ2 TRP 18 5.245 7.278 -0.733 154 HZ3 TRP 18 HZ3 TRP 18 9.265 5.833 -0.277 155 HH2 TRP 18 HH2 TRP 18 7.690 7.604 -1.006 156 H ASN 19 H ASN 19 5.968 -1.091 1.304 157 HA ASN 19 HA ASN 19 7.873 -2.036 3.182 158 HB2 ASN 19 HB2 ASN 19 5.548 -2.905 2.578 159 HB3 ASN 19 HB3 ASN 19 6.314 -3.740 1.225 160 HD21 ASN 19 HD21 ASN 19 7.597 -5.618 1.695 161 HD22 ASN 19 HD22 ASN 19 7.728 -6.270 3.255 162 H VAL 20 H VAL 20 7.852 -2.369 -0.377 163 HA VAL 20 HA VAL 20 10.073 -4.196 -0.560 164 HB VAL 20 HB VAL 20 8.987 -2.091 -2.467 165 HG11 VAL 20 HG11 VAL 20 11.262 -2.850 -3.097 166 HG12 VAL 20 HG12 VAL 20 10.048 -3.428 -4.238 167 HG13 VAL 20 HG13 VAL 20 10.713 -4.525 -3.027 168 HG21 VAL 20 HG21 VAL 20 7.352 -3.564 -3.008 169 HG22 VAL 20 HG22 VAL 20 7.725 -4.326 -1.462 170 HG23 VAL 20 HG23 VAL 20 8.448 -4.944 -2.947 171 H THR 21 H THR 21 9.876 -0.663 -0.320 172 HA THR 21 HA THR 21 12.800 -0.364 -0.718 173 HB THR 21 HB THR 21 10.857 1.821 0.006 174 HG1 THR 21 HG1 THR 21 9.802 1.522 -1.769 175 HG21 THR 21 HG21 THR 21 13.359 2.179 -0.309 176 HG22 THR 21 HG22 THR 21 12.313 3.188 -1.308 177 HG23 THR 21 HG23 THR 21 13.111 1.780 -2.008 178 H LEU 22 H LEU 22 10.471 -0.482 1.885 179 HA LEU 22 HA LEU 22 12.373 0.703 3.838 180 HB2 LEU 22 HB2 LEU 22 9.521 -0.304 4.019 181 HB3 LEU 22 HB3 LEU 22 10.386 0.466 5.348 182 HG LEU 22 HG LEU 22 9.993 1.792 2.649 183 HD11 LEU 22 HD11 LEU 22 8.411 2.340 5.170 184 HD12 LEU 22 HD12 LEU 22 7.832 1.259 3.903 185 HD13 LEU 22 HD13 LEU 22 8.114 2.962 3.547 186 HD21 LEU 22 HD21 LEU 22 10.452 3.841 4.072 187 HD22 LEU 22 HD22 LEU 22 11.822 2.744 3.900 188 HD23 LEU 22 HD23 LEU 22 10.876 2.746 5.388 189 H ARG 23 H ARG 23 11.822 -2.352 2.558 190 HA ARG 23 HA ARG 23 11.725 -4.160 4.703 191 HB2 ARG 23 HB2 ARG 23 12.533 -4.102 1.908 192 HB3 ARG 23 HB3 ARG 23 13.536 -5.222 2.831 193 HG2 ARG 23 HG2 ARG 23 11.693 -6.518 3.502 194 HG3 ARG 23 HG3 ARG 23 10.540 -5.229 3.152 195 HD2 ARG 23 HD2 ARG 23 10.316 -5.905 0.995 196 HD3 ARG 23 HD3 ARG 23 12.074 -6.016 0.778 197 HE ARG 23 HE ARG 23 11.994 -8.257 1.811 198 HH11 ARG 23 HH11 ARG 23 10.227 -8.615 -0.522 199 HH12 ARG 23 HH12 ARG 23 8.781 -9.264 0.173 200 HH21 ARG 23 HH21 ARG 23 9.592 -8.295 3.412 201 HH22 ARG 23 HH22 ARG 23 8.420 -9.083 2.410 202 HA PRO 24 HA PRO 24 16.481 -3.953 5.182 203 HB2 PRO 24 HB2 PRO 24 17.860 -1.970 3.893 204 HB3 PRO 24 HB3 PRO 24 17.541 -3.557 3.165 205 HG2 PRO 24 HG2 PRO 24 16.191 -0.954 2.698 206 HG3 PRO 24 HG3 PRO 24 16.552 -2.262 1.562 207 HD2 PRO 24 HD2 PRO 24 14.080 -1.803 2.667 208 HD3 PRO 24 HD3 PRO 24 14.623 -3.372 2.036 209 H GLU 25 H GLU 25 15.383 -3.109 7.175 210 HA GLU 25 HA GLU 25 16.422 -0.418 7.899 211 HB2 GLU 25 HB2 GLU 25 13.805 -0.846 7.063 212 HB3 GLU 25 HB3 GLU 25 13.672 -0.890 8.820 213 HG2 GLU 25 HG2 GLU 25 14.570 1.292 9.056 214 HG3 GLU 25 HG3 GLU 25 15.200 1.298 7.408 215 H ARG 26 H ARG 26 17.846 -2.042 9.088 216 HA ARG 26 HA ARG 26 18.500 -3.122 11.076 217 HB2 ARG 26 HB2 ARG 26 16.140 -1.464 12.032 218 HB3 ARG 26 HB3 ARG 26 17.322 -2.219 13.098 219 HG2 ARG 26 HG2 ARG 26 18.678 -0.445 12.833 220 HG3 ARG 26 HG3 ARG 26 18.778 -0.794 11.107 221 HD2 ARG 26 HD2 ARG 26 16.365 0.396 11.122 222 HD3 ARG 26 HD3 ARG 26 17.075 1.201 12.535 223 HE ARG 26 HE ARG 26 19.101 1.275 10.631 224 HH11 ARG 26 HH11 ARG 26 17.006 1.376 8.541 225 HH12 ARG 26 HH12 ARG 26 16.660 3.068 8.422 226 HH21 ARG 26 HH21 ARG 26 18.150 3.855 11.461 227 HH22 ARG 26 HH22 ARG 26 17.307 4.475 10.080 Start of MODEL 27 1 HA ARG 1 HA ARG 1 -18.947 1.062 -5.802 2 HB2 ARG 1 HB2 ARG 1 -20.323 -0.344 -7.503 3 HB3 ARG 1 HB3 ARG 1 -20.675 -1.400 -6.134 4 HG2 ARG 1 HG2 ARG 1 -21.927 0.215 -5.031 5 HG3 ARG 1 HG3 ARG 1 -21.073 1.551 -5.802 6 HD2 ARG 1 HD2 ARG 1 -23.199 1.553 -6.866 7 HD3 ARG 1 HD3 ARG 1 -22.167 0.675 -8.012 8 HE ARG 1 HE ARG 1 -23.279 -1.151 -6.074 9 HH11 ARG 1 HH11 ARG 1 -23.150 -1.908 -8.899 10 HH12 ARG 1 HH12 ARG 1 -24.796 -1.798 -9.423 11 HH21 ARG 1 HH21 ARG 1 -25.800 0.140 -6.715 12 HH22 ARG 1 HH22 ARG 1 -26.304 -0.634 -8.181 13 H SER 2 H SER 2 -17.108 0.124 -4.144 14 HA SER 2 HA SER 2 -18.644 -0.955 -1.825 15 HB2 SER 2 HB2 SER 2 -16.055 -2.065 -2.953 16 HB3 SER 2 HB3 SER 2 -16.787 -2.582 -1.438 17 HG SER 2 HG SER 2 -18.396 -3.527 -2.525 18 H ALA 3 H ALA 3 -17.527 -0.545 0.231 19 HA ALA 3 HA ALA 3 -15.768 1.859 0.104 20 HB1 ALA 3 HB1 ALA 3 -17.810 2.018 1.418 21 HB2 ALA 3 HB2 ALA 3 -16.440 1.999 2.528 22 HB3 ALA 3 HB3 ALA 3 -17.405 0.542 2.294 23 H LEU 4 H LEU 4 -15.866 -1.470 1.355 24 HA LEU 4 HA LEU 4 -13.226 -1.199 2.652 25 HB2 LEU 4 HB2 LEU 4 -15.356 -2.546 3.374 26 HB3 LEU 4 HB3 LEU 4 -14.769 -3.751 2.229 27 HG LEU 4 HG LEU 4 -12.469 -3.225 3.565 28 HD11 LEU 4 HD11 LEU 4 -12.848 -2.851 5.881 29 HD12 LEU 4 HD12 LEU 4 -14.582 -3.137 5.724 30 HD13 LEU 4 HD13 LEU 4 -13.868 -1.666 5.064 31 HD21 LEU 4 HD21 LEU 4 -14.621 -5.144 4.517 32 HD22 LEU 4 HD22 LEU 4 -12.885 -5.307 4.779 33 HD23 LEU 4 HD23 LEU 4 -13.547 -5.442 3.150 34 H VAL 5 H VAL 5 -13.989 -1.414 -0.519 35 HA VAL 5 HA VAL 5 -12.049 -3.565 -1.209 36 HB VAL 5 HB VAL 5 -14.054 -1.904 -2.769 37 HG11 VAL 5 HG11 VAL 5 -12.346 -2.291 -4.357 38 HG12 VAL 5 HG12 VAL 5 -13.460 -3.634 -4.606 39 HG13 VAL 5 HG13 VAL 5 -11.970 -3.882 -3.696 40 HG21 VAL 5 HG21 VAL 5 -15.147 -4.118 -3.059 41 HG22 VAL 5 HG22 VAL 5 -15.004 -3.681 -1.356 42 HG23 VAL 5 HG23 VAL 5 -13.892 -4.854 -2.063 43 H ASN 6 H ASN 6 -12.632 -0.083 -1.870 44 HA ASN 6 HA ASN 6 -10.240 0.383 -3.378 45 HB2 ASN 6 HB2 ASN 6 -12.347 1.816 -3.108 46 HB3 ASN 6 HB3 ASN 6 -11.668 2.350 -1.570 47 HD21 ASN 6 HD21 ASN 6 -11.044 2.324 -5.097 48 HD22 ASN 6 HD22 ASN 6 -9.962 3.632 -5.074 49 H SER 7 H SER 7 -10.897 0.658 0.141 50 HA SER 7 HA SER 7 -8.406 1.779 0.943 51 HB2 SER 7 HB2 SER 7 -10.529 1.379 2.294 52 HB3 SER 7 HB3 SER 7 -10.037 -0.308 2.425 53 HG SER 7 HG SER 7 -9.152 0.624 4.179 54 H TYR 8 H TYR 8 -9.359 -1.634 0.469 55 HA TYR 8 HA TYR 8 -6.772 -2.726 1.213 56 HB2 TYR 8 HB2 TYR 8 -8.692 -4.128 1.390 57 HB3 TYR 8 HB3 TYR 8 -9.251 -3.705 -0.226 58 HD1 TYR 8 HD1 TYR 8 -6.473 -5.423 1.593 59 HD2 TYR 8 HD2 TYR 8 -8.645 -5.014 -2.088 60 HE1 TYR 8 HE2 TYR 8 -5.251 -7.365 0.656 61 HE2 TYR 8 HE1 TYR 8 -7.422 -6.956 -3.027 62 HH TYR 8 HH TYR 8 -4.667 -8.094 -1.925 63 H LEU 9 H LEU 9 -8.340 -1.845 -1.866 64 HA LEU 9 HA LEU 9 -6.223 -2.811 -3.585 65 HB2 LEU 9 HB2 LEU 9 -8.769 -1.389 -3.726 66 HB3 LEU 9 HB3 LEU 9 -7.609 -0.755 -4.888 67 HG LEU 9 HG LEU 9 -8.900 -2.591 -5.889 68 HD11 LEU 9 HD11 LEU 9 -6.406 -2.248 -6.364 69 HD12 LEU 9 HD12 LEU 9 -7.066 -3.831 -6.771 70 HD13 LEU 9 HD13 LEU 9 -6.120 -3.623 -5.298 71 HD21 LEU 9 HD21 LEU 9 -9.086 -3.691 -3.483 72 HD22 LEU 9 HD22 LEU 9 -7.637 -4.552 -4.005 73 HD23 LEU 9 HD23 LEU 9 -9.130 -4.695 -4.933 74 H TRP 10 H TRP 10 -6.664 0.139 -1.740 75 HA TRP 10 HA TRP 10 -4.451 1.481 -3.228 76 HB2 TRP 10 HB2 TRP 10 -6.594 2.660 -2.939 77 HB3 TRP 10 HB3 TRP 10 -6.480 2.460 -1.192 78 HD1 TRP 10 HD1 TRP 10 -3.815 3.653 -3.743 79 HE1 TRP 10 HE1 TRP 10 -2.895 5.921 -2.929 80 HE3 TRP 10 HE3 TRP 10 -6.736 4.358 0.386 81 HZ2 TRP 10 HZ2 TRP 10 -3.342 7.786 -0.807 82 HZ3 TRP 10 HZ3 TRP 10 -6.469 6.386 1.784 83 HH2 TRP 10 HH2 TRP 10 -4.777 8.101 1.193 84 H GLN 11 H GLN 11 -5.472 0.954 0.195 85 HA GLN 11 HA GLN 11 -3.002 1.783 1.371 86 HB2 GLN 11 HB2 GLN 11 -5.393 1.295 2.344 87 HB3 GLN 11 HB3 GLN 11 -4.772 -0.341 2.558 88 HG2 GLN 11 HG2 GLN 11 -2.753 0.751 3.718 89 HG3 GLN 11 HG3 GLN 11 -3.728 2.220 3.774 90 HE21 GLN 11 HE21 GLN 11 -3.350 -1.006 5.135 91 HE22 GLN 11 HE22 GLN 11 -4.568 -0.856 6.308 92 H ARG 12 H ARG 12 -4.168 -1.544 0.620 93 HA ARG 12 HA ARG 12 -1.826 -2.924 1.507 94 HB2 ARG 12 HB2 ARG 12 -4.217 -3.717 0.765 95 HB3 ARG 12 HB3 ARG 12 -3.496 -3.802 -0.843 96 HG2 ARG 12 HG2 ARG 12 -2.792 -5.869 -0.247 97 HG3 ARG 12 HG3 ARG 12 -1.595 -5.041 0.746 98 HD2 ARG 12 HD2 ARG 12 -4.345 -5.452 1.885 99 HD3 ARG 12 HD3 ARG 12 -3.217 -6.823 1.853 100 HE ARG 12 HE ARG 12 -2.575 -4.187 3.130 101 HH11 ARG 12 HH11 ARG 12 -3.335 -6.269 5.033 102 HH12 ARG 12 HH12 ARG 12 -1.835 -7.046 5.417 103 HH21 ARG 12 HH21 ARG 12 -0.160 -5.761 2.654 104 HH22 ARG 12 HH22 ARG 12 -0.030 -6.752 4.068 105 H TRP 13 H TRP 13 -2.646 -1.484 -1.655 106 HA TRP 13 HA TRP 13 -0.377 -2.474 -3.103 107 HB2 TRP 13 HB2 TRP 13 -1.637 -1.491 -4.708 108 HB3 TRP 13 HB3 TRP 13 -2.646 -0.764 -3.469 109 HD1 TRP 13 HD1 TRP 13 -2.725 1.754 -3.529 110 HE1 TRP 13 HE1 TRP 13 -1.215 3.645 -4.413 111 HE3 TRP 13 HE3 TRP 13 1.236 -0.991 -5.199 112 HZ2 TRP 13 HZ2 TRP 13 1.336 3.952 -5.668 113 HZ3 TRP 13 HZ3 TRP 13 3.193 0.122 -6.236 114 HH2 TRP 13 HH2 TRP 13 3.248 2.589 -6.472 115 H GLU 14 H GLU 14 -0.880 0.552 -1.254 116 HA GLU 14 HA GLU 14 1.754 1.630 -1.777 117 HB2 GLU 14 HB2 GLU 14 -0.415 2.100 0.279 118 HB3 GLU 14 HB3 GLU 14 1.079 3.038 0.270 119 HG2 GLU 14 HG2 GLU 14 0.633 3.661 -2.105 120 HG3 GLU 14 HG3 GLU 14 -0.906 2.808 -2.009 121 H ASN 15 H ASN 15 0.366 -0.201 0.982 122 HA ASN 15 HA ASN 15 2.605 -0.230 2.700 123 HB2 ASN 15 HB2 ASN 15 0.115 -1.330 2.670 124 HB3 ASN 15 HB3 ASN 15 1.090 -2.768 2.367 125 HD21 ASN 15 HD21 ASN 15 3.412 -2.120 3.920 126 HD22 ASN 15 HD22 ASN 15 2.964 -2.054 5.554 127 H TRP 16 H TRP 16 1.866 -2.369 -0.071 128 HA TRP 16 HA TRP 16 4.285 -3.967 0.208 129 HB2 TRP 16 HB2 TRP 16 2.505 -5.000 -0.952 130 HB3 TRP 16 HB3 TRP 16 2.126 -3.536 -1.860 131 HD1 TRP 16 HD1 TRP 16 4.805 -6.294 -1.660 132 HE1 TRP 16 HE1 TRP 16 5.970 -6.466 -3.953 133 HE3 TRP 16 HE3 TRP 16 2.581 -2.380 -4.072 134 HZ2 TRP 16 HZ2 TRP 16 5.959 -5.120 -6.477 135 HZ3 TRP 16 HZ3 TRP 16 3.177 -1.848 -6.417 136 HH2 TRP 16 HH2 TRP 16 4.861 -3.211 -7.622 137 H PHE 17 H PHE 17 3.281 -1.216 -1.844 138 HA PHE 17 HA PHE 17 5.599 -0.935 -3.445 139 HB2 PHE 17 HB2 PHE 17 3.509 0.277 -3.805 140 HB3 PHE 17 HB3 PHE 17 3.678 1.099 -2.256 141 HD1 PHE 17 HD1 PHE 17 5.428 0.610 -5.531 142 HD2 PHE 17 HD2 PHE 17 4.798 3.158 -2.130 143 HE1 PHE 17 HE1 PHE 17 6.760 2.394 -6.619 144 HE2 PHE 17 HE2 PHE 17 6.130 4.943 -3.220 145 HZ PHE 17 HZ PHE 17 7.111 4.561 -5.466 146 H TRP 18 H TRP 18 4.834 0.731 -0.354 147 HA TRP 18 HA TRP 18 7.349 2.030 -0.006 148 HB2 TRP 18 HB2 TRP 18 5.275 0.982 1.950 149 HB3 TRP 18 HB3 TRP 18 6.598 2.048 2.416 150 HD1 TRP 18 HD1 TRP 18 3.170 2.394 1.868 151 HE1 TRP 18 HE1 TRP 18 2.501 4.657 0.830 152 HE3 TRP 18 HE3 TRP 18 7.713 3.937 0.111 153 HZ2 TRP 18 HZ2 TRP 18 3.730 6.833 -0.558 154 HZ3 TRP 18 HZ3 TRP 18 7.933 6.108 -1.062 155 HH2 TRP 18 HH2 TRP 18 5.950 7.556 -1.398 156 H ASN 19 H ASN 19 6.288 -1.262 0.753 157 HA ASN 19 HA ASN 19 8.442 -2.084 2.438 158 HB2 ASN 19 HB2 ASN 19 6.127 -3.142 1.458 159 HB3 ASN 19 HB3 ASN 19 7.311 -4.021 0.493 160 HD21 ASN 19 HD21 ASN 19 8.360 -5.762 1.507 161 HD22 ASN 19 HD22 ASN 19 8.283 -6.086 3.172 162 H VAL 20 H VAL 20 8.173 -1.938 -1.119 163 HA VAL 20 HA VAL 20 11.006 -2.908 -1.320 164 HB VAL 20 HB VAL 20 10.351 -3.438 -3.675 165 HG11 VAL 20 HG11 VAL 20 9.228 -5.416 -3.118 166 HG12 VAL 20 HG12 VAL 20 8.270 -4.633 -1.861 167 HG13 VAL 20 HG13 VAL 20 9.980 -4.968 -1.587 168 HG21 VAL 20 HG21 VAL 20 8.486 -1.605 -3.585 169 HG22 VAL 20 HG22 VAL 20 7.496 -2.885 -2.886 170 HG23 VAL 20 HG23 VAL 20 8.180 -3.082 -4.498 171 H THR 21 H THR 21 9.508 0.001 -1.129 172 HA THR 21 HA THR 21 11.232 1.246 -3.244 173 HB THR 21 HB THR 21 8.600 2.154 -2.037 174 HG1 THR 21 HG1 THR 21 7.997 0.716 -3.474 175 HG21 THR 21 HG21 THR 21 9.334 4.196 -2.698 176 HG22 THR 21 HG22 THR 21 9.009 3.611 -4.330 177 HG23 THR 21 HG23 THR 21 10.640 3.514 -3.667 178 H LEU 22 H LEU 22 10.172 1.424 0.131 179 HA LEU 22 HA LEU 22 11.357 3.915 0.850 180 HB2 LEU 22 HB2 LEU 22 10.612 1.370 2.265 181 HB3 LEU 22 HB3 LEU 22 11.464 2.632 3.151 182 HG LEU 22 HG LEU 22 8.877 3.042 1.617 183 HD11 LEU 22 HD11 LEU 22 8.355 1.719 3.534 184 HD12 LEU 22 HD12 LEU 22 7.992 3.382 3.998 185 HD13 LEU 22 HD13 LEU 22 9.482 2.616 4.552 186 HD21 LEU 22 HD21 LEU 22 10.628 4.828 3.321 187 HD22 LEU 22 HD22 LEU 22 8.926 5.192 3.041 188 HD23 LEU 22 HD23 LEU 22 10.046 5.116 1.681 189 H ARG 23 H ARG 23 12.742 0.648 0.722 190 HA ARG 23 HA ARG 23 15.279 1.353 1.920 191 HB2 ARG 23 HB2 ARG 23 13.973 -0.946 0.616 192 HB3 ARG 23 HB3 ARG 23 15.719 -0.894 0.381 193 HG2 ARG 23 HG2 ARG 23 15.584 -2.037 2.401 194 HG3 ARG 23 HG3 ARG 23 15.751 -0.376 2.968 195 HD2 ARG 23 HD2 ARG 23 13.562 -0.261 3.701 196 HD3 ARG 23 HD3 ARG 23 12.976 -1.364 2.440 197 HE ARG 23 HE ARG 23 13.754 -3.239 3.758 198 HH11 ARG 23 HH11 ARG 23 12.363 -1.805 5.942 199 HH12 ARG 23 HH12 ARG 23 13.578 -1.704 7.174 200 HH21 ARG 23 HH21 ARG 23 16.206 -2.392 5.002 201 HH22 ARG 23 HH22 ARG 23 15.762 -2.037 6.638 202 HA PRO 24 HA PRO 24 17.009 1.548 -2.519 203 HB2 PRO 24 HB2 PRO 24 15.308 1.311 -4.648 204 HB3 PRO 24 HB3 PRO 24 16.087 -0.083 -3.872 205 HG2 PRO 24 HG2 PRO 24 13.311 0.934 -3.586 206 HG3 PRO 24 HG3 PRO 24 13.909 -0.731 -3.606 207 HD2 PRO 24 HD2 PRO 24 13.206 0.625 -1.331 208 HD3 PRO 24 HD3 PRO 24 14.348 -0.734 -1.371 209 H GLU 25 H GLU 25 17.290 3.780 -2.112 210 HA GLU 25 HA GLU 25 15.313 5.609 -3.434 211 HB2 GLU 25 HB2 GLU 25 15.672 5.273 -0.698 212 HB3 GLU 25 HB3 GLU 25 16.679 6.676 -1.058 213 HG2 GLU 25 HG2 GLU 25 13.926 6.560 -2.234 214 HG3 GLU 25 HG3 GLU 25 14.094 6.967 -0.527 215 H ARG 26 H ARG 26 16.490 6.459 -5.134 216 HA ARG 26 HA ARG 26 19.147 7.671 -4.527 217 HB2 ARG 26 HB2 ARG 26 18.532 5.322 -6.215 218 HB3 ARG 26 HB3 ARG 26 19.579 6.518 -6.977 219 HG2 ARG 26 HG2 ARG 26 20.139 5.641 -4.156 220 HG3 ARG 26 HG3 ARG 26 20.643 4.621 -5.502 221 HD2 ARG 26 HD2 ARG 26 22.532 5.963 -5.329 222 HD3 ARG 26 HD3 ARG 26 21.571 6.984 -6.417 223 HE ARG 26 HE ARG 26 21.110 7.390 -3.524 224 HH11 ARG 26 HH11 ARG 26 20.354 9.480 -5.459 225 HH12 ARG 26 HH12 ARG 26 21.672 10.601 -5.360 226 HH21 ARG 26 HH21 ARG 26 23.820 8.346 -3.816 227 HH22 ARG 26 HH22 ARG 26 23.642 9.956 -4.428 Start of MODEL 28 1 HA ARG 1 HA ARG 1 -16.569 1.508 -6.941 2 HB2 ARG 1 HB2 ARG 1 -17.700 3.778 -7.366 3 HB3 ARG 1 HB3 ARG 1 -18.573 3.506 -5.858 4 HG2 ARG 1 HG2 ARG 1 -16.536 3.439 -4.589 5 HG3 ARG 1 HG3 ARG 1 -15.554 3.386 -6.053 6 HD2 ARG 1 HD2 ARG 1 -15.748 5.648 -6.425 7 HD3 ARG 1 HD3 ARG 1 -17.407 5.709 -5.800 8 HE ARG 1 HE ARG 1 -15.957 5.102 -3.546 9 HH11 ARG 1 HH11 ARG 1 -17.153 7.784 -3.758 10 HH12 ARG 1 HH12 ARG 1 -15.777 8.835 -3.724 11 HH21 ARG 1 HH21 ARG 1 -13.506 6.315 -4.484 12 HH22 ARG 1 HH22 ARG 1 -13.704 7.999 -4.136 13 H SER 2 H SER 2 -16.020 0.543 -4.990 14 HA SER 2 HA SER 2 -18.267 -0.288 -3.175 15 HB2 SER 2 HB2 SER 2 -15.868 -1.684 -4.311 16 HB3 SER 2 HB3 SER 2 -16.455 -2.179 -2.726 17 HG SER 2 HG SER 2 -18.175 -3.009 -3.632 18 H ALA 3 H ALA 3 -17.533 -0.624 -0.886 19 HA ALA 3 HA ALA 3 -15.631 1.514 -0.073 20 HB1 ALA 3 HB1 ALA 3 -17.807 1.532 0.961 21 HB2 ALA 3 HB2 ALA 3 -16.673 0.965 2.187 22 HB3 ALA 3 HB3 ALA 3 -17.705 -0.187 1.341 23 H LEU 4 H LEU 4 -16.165 -1.999 0.359 24 HA LEU 4 HA LEU 4 -13.668 -2.302 1.900 25 HB2 LEU 4 HB2 LEU 4 -15.971 -3.526 2.118 26 HB3 LEU 4 HB3 LEU 4 -15.378 -4.518 0.785 27 HG LEU 4 HG LEU 4 -13.200 -4.475 2.465 28 HD11 LEU 4 HD11 LEU 4 -15.716 -4.588 4.158 29 HD12 LEU 4 HD12 LEU 4 -14.472 -3.340 4.233 30 HD13 LEU 4 HD13 LEU 4 -14.095 -4.992 4.722 31 HD21 LEU 4 HD21 LEU 4 -15.492 -6.464 2.549 32 HD22 LEU 4 HD22 LEU 4 -13.811 -6.784 2.974 33 HD23 LEU 4 HD23 LEU 4 -14.245 -6.427 1.302 34 H VAL 5 H VAL 5 -13.934 -1.628 -1.218 35 HA VAL 5 HA VAL 5 -12.167 -3.821 -2.222 36 HB VAL 5 HB VAL 5 -13.923 -1.707 -3.502 37 HG11 VAL 5 HG11 VAL 5 -13.148 -2.948 -5.670 38 HG12 VAL 5 HG12 VAL 5 -11.741 -3.398 -4.708 39 HG13 VAL 5 HG13 VAL 5 -12.106 -1.697 -4.993 40 HG21 VAL 5 HG21 VAL 5 -14.954 -3.830 -2.679 41 HG22 VAL 5 HG22 VAL 5 -13.865 -4.735 -3.728 42 HG23 VAL 5 HG23 VAL 5 -15.072 -3.658 -4.431 43 H ASN 6 H ASN 6 -12.455 -0.240 -2.399 44 HA ASN 6 HA ASN 6 -9.709 0.132 -3.269 45 HB2 ASN 6 HB2 ASN 6 -11.651 1.656 -3.714 46 HB3 ASN 6 HB3 ASN 6 -11.663 2.081 -2.001 47 HD21 ASN 6 HD21 ASN 6 -10.205 2.815 -5.044 48 HD22 ASN 6 HD22 ASN 6 -9.001 3.861 -4.461 49 H SER 7 H SER 7 -11.360 0.327 -0.094 50 HA SER 7 HA SER 7 -9.320 1.492 1.464 51 HB2 SER 7 HB2 SER 7 -11.660 0.815 2.141 52 HB3 SER 7 HB3 SER 7 -11.093 -0.850 2.234 53 HG SER 7 HG SER 7 -10.760 -0.138 4.242 54 H TYR 8 H TYR 8 -9.715 -1.940 0.538 55 HA TYR 8 HA TYR 8 -7.250 -2.772 1.892 56 HB2 TYR 8 HB2 TYR 8 -9.013 -4.362 1.758 57 HB3 TYR 8 HB3 TYR 8 -9.306 -4.018 0.055 58 HD1 TYR 8 HD1 TYR 8 -6.726 -5.396 2.391 59 HD2 TYR 8 HD2 TYR 8 -8.262 -5.302 -1.620 60 HE1 TYR 8 HE2 TYR 8 -5.166 -7.213 1.749 61 HE2 TYR 8 HE1 TYR 8 -6.702 -7.119 -2.260 62 HH TYR 8 HH TYR 8 -5.349 -9.127 -0.375 63 H LEU 9 H LEU 9 -8.266 -2.094 -1.461 64 HA LEU 9 HA LEU 9 -5.814 -2.921 -2.730 65 HB2 LEU 9 HB2 LEU 9 -8.303 -1.439 -3.382 66 HB3 LEU 9 HB3 LEU 9 -6.926 -1.111 -4.431 67 HG LEU 9 HG LEU 9 -7.863 -3.910 -3.747 68 HD11 LEU 9 HD11 LEU 9 -9.592 -2.575 -4.994 69 HD12 LEU 9 HD12 LEU 9 -8.974 -3.955 -5.902 70 HD13 LEU 9 HD13 LEU 9 -8.407 -2.328 -6.277 71 HD21 LEU 9 HD21 LEU 9 -6.271 -4.649 -5.264 72 HD22 LEU 9 HD22 LEU 9 -5.451 -3.212 -4.652 73 HD23 LEU 9 HD23 LEU 9 -6.308 -3.150 -6.192 74 H TRP 10 H TRP 10 -6.907 0.211 -1.407 75 HA TRP 10 HA TRP 10 -4.883 1.888 -2.490 76 HB2 TRP 10 HB2 TRP 10 -7.010 2.447 -1.173 77 HB3 TRP 10 HB3 TRP 10 -6.088 2.085 0.284 78 HD1 TRP 10 HD1 TRP 10 -4.593 3.852 -2.775 79 HE1 TRP 10 HE1 TRP 10 -3.877 6.228 -2.084 80 HE3 TRP 10 HE3 TRP 10 -6.467 3.993 1.974 81 HZ2 TRP 10 HZ2 TRP 10 -4.073 7.961 0.182 82 HZ3 TRP 10 HZ3 TRP 10 -6.187 6.017 3.375 83 HH2 TRP 10 HH2 TRP 10 -4.994 7.999 2.486 84 H GLN 11 H GLN 11 -4.908 0.282 0.732 85 HA GLN 11 HA GLN 11 -2.194 0.991 1.391 86 HB2 GLN 11 HB2 GLN 11 -4.280 -0.952 2.349 87 HB3 GLN 11 HB3 GLN 11 -2.638 -1.088 2.978 88 HG2 GLN 11 HG2 GLN 11 -3.069 0.592 4.407 89 HG3 GLN 11 HG3 GLN 11 -3.317 1.672 3.035 90 HE21 GLN 11 HE21 GLN 11 -5.491 2.239 2.483 91 HE22 GLN 11 HE22 GLN 11 -6.839 1.705 3.366 92 H ARG 12 H ARG 12 -3.635 -1.893 -0.150 93 HA ARG 12 HA ARG 12 -1.249 -3.494 -0.202 94 HB2 ARG 12 HB2 ARG 12 -3.885 -3.385 -1.627 95 HB3 ARG 12 HB3 ARG 12 -2.638 -4.464 -2.250 96 HG2 ARG 12 HG2 ARG 12 -3.381 -4.453 0.675 97 HG3 ARG 12 HG3 ARG 12 -4.265 -5.432 -0.494 98 HD2 ARG 12 HD2 ARG 12 -1.248 -5.560 -0.153 99 HD3 ARG 12 HD3 ARG 12 -2.379 -6.683 0.625 100 HE ARG 12 HE ARG 12 -3.239 -7.023 -1.835 101 HH11 ARG 12 HH11 ARG 12 -1.168 -5.450 -3.204 102 HH12 ARG 12 HH12 ARG 12 0.063 -6.620 -3.540 103 HH21 ARG 12 HH21 ARG 12 -1.136 -8.933 -1.241 104 HH22 ARG 12 HH22 ARG 12 0.083 -8.599 -2.424 105 H TRP 13 H TRP 13 -1.957 -0.612 -1.886 106 HA TRP 13 HA TRP 13 -0.202 -1.296 -4.198 107 HB2 TRP 13 HB2 TRP 13 -2.521 0.348 -3.681 108 HB3 TRP 13 HB3 TRP 13 -1.214 1.364 -4.286 109 HD1 TRP 13 HD1 TRP 13 -3.999 -0.089 -5.678 110 HE1 TRP 13 HE1 TRP 13 -3.648 -0.994 -8.071 111 HE3 TRP 13 HE3 TRP 13 1.092 -0.309 -5.781 112 HZ2 TRP 13 HZ2 TRP 13 -1.479 -1.712 -9.799 113 HZ3 TRP 13 HZ3 TRP 13 2.279 -1.102 -7.809 114 HH2 TRP 13 HH2 TRP 13 1.001 -1.803 -9.816 115 H GLU 14 H GLU 14 -0.627 1.187 -1.675 116 HA GLU 14 HA GLU 14 2.023 2.359 -2.224 117 HB2 GLU 14 HB2 GLU 14 0.084 3.016 0.004 118 HB3 GLU 14 HB3 GLU 14 1.249 4.087 -0.772 119 HG2 GLU 14 HG2 GLU 14 -0.056 3.801 -2.926 120 HG3 GLU 14 HG3 GLU 14 -1.284 2.943 -1.995 121 H ASN 15 H ASN 15 0.408 0.688 0.523 122 HA ASN 15 HA ASN 15 2.667 0.733 2.287 123 HB2 ASN 15 HB2 ASN 15 0.073 0.048 2.498 124 HB3 ASN 15 HB3 ASN 15 0.760 -1.566 2.312 125 HD21 ASN 15 HD21 ASN 15 2.949 -1.761 3.774 126 HD22 ASN 15 HD22 ASN 15 2.753 -1.220 5.370 127 H TRP 16 H TRP 16 1.630 -1.628 -0.190 128 HA TRP 16 HA TRP 16 3.742 -3.540 0.388 129 HB2 TRP 16 HB2 TRP 16 1.872 -4.433 -0.715 130 HB3 TRP 16 HB3 TRP 16 1.717 -3.039 -1.782 131 HD1 TRP 16 HD1 TRP 16 3.876 -6.175 -1.264 132 HE1 TRP 16 HE1 TRP 16 5.029 -6.755 -3.494 133 HE3 TRP 16 HE3 TRP 16 2.457 -2.146 -4.063 134 HZ2 TRP 16 HZ2 TRP 16 5.314 -5.654 -6.119 135 HZ3 TRP 16 HZ3 TRP 16 3.186 -1.936 -6.421 136 HH2 TRP 16 HH2 TRP 16 4.611 -3.683 -7.453 137 H PHE 17 H PHE 17 3.289 -1.042 -2.151 138 HA PHE 17 HA PHE 17 5.724 -1.429 -3.551 139 HB2 PHE 17 HB2 PHE 17 3.809 -0.026 -4.272 140 HB3 PHE 17 HB3 PHE 17 4.180 1.129 -2.992 141 HD1 PHE 17 HD1 PHE 17 5.462 -0.411 -6.124 142 HD2 PHE 17 HD2 PHE 17 5.956 2.721 -3.224 143 HE1 PHE 17 HE2 PHE 17 7.108 0.703 -7.606 144 HE2 PHE 17 HE1 PHE 17 7.604 3.834 -4.706 145 HZ PHE 17 HZ PHE 17 8.180 2.824 -6.897 146 H TRP 18 H TRP 18 5.041 0.888 -0.885 147 HA TRP 18 HA TRP 18 7.750 1.820 -0.655 148 HB2 TRP 18 HB2 TRP 18 5.296 1.809 1.101 149 HB3 TRP 18 HB3 TRP 18 6.814 2.486 1.683 150 HD1 TRP 18 HD1 TRP 18 3.842 3.775 0.412 151 HE1 TRP 18 HE1 TRP 18 4.148 5.877 -1.047 152 HE3 TRP 18 HE3 TRP 18 8.835 3.423 -0.603 153 HZ2 TRP 18 HZ2 TRP 18 6.237 7.231 -2.456 154 HZ3 TRP 18 HZ3 TRP 18 9.956 5.132 -2.003 155 HH2 TRP 18 HH2 TRP 18 8.665 7.034 -2.930 156 H ASN 19 H ASN 19 6.023 -0.910 0.839 157 HA ASN 19 HA ASN 19 7.901 -1.547 2.889 158 HB2 ASN 19 HB2 ASN 19 5.627 -2.486 2.650 159 HB3 ASN 19 HB3 ASN 19 6.134 -3.347 1.196 160 HD21 ASN 19 HD21 ASN 19 7.137 -5.378 1.489 161 HD22 ASN 19 HD22 ASN 19 7.585 -6.004 3.002 162 H VAL 20 H VAL 20 7.635 -3.050 -0.377 163 HA VAL 20 HA VAL 20 10.121 -4.490 -0.150 164 HB VAL 20 HB VAL 20 9.783 -4.824 -2.608 165 HG11 VAL 20 HG11 VAL 20 7.854 -6.166 -2.364 166 HG12 VAL 20 HG12 VAL 20 7.130 -5.068 -1.190 167 HG13 VAL 20 HG13 VAL 20 8.511 -6.064 -0.730 168 HG21 VAL 20 HG21 VAL 20 7.231 -3.735 -3.009 169 HG22 VAL 20 HG22 VAL 20 8.736 -3.170 -3.735 170 HG23 VAL 20 HG23 VAL 20 8.149 -2.440 -2.243 171 H THR 21 H THR 21 9.421 -1.176 -1.073 172 HA THR 21 HA THR 21 12.034 -0.804 -2.395 173 HB THR 21 HB THR 21 9.822 1.130 -1.633 174 HG1 THR 21 HG1 THR 21 10.375 -0.394 -3.948 175 HG21 THR 21 HG21 THR 21 11.612 2.540 -2.057 176 HG22 THR 21 HG22 THR 21 10.986 2.328 -3.692 177 HG23 THR 21 HG23 THR 21 12.385 1.399 -3.157 178 H LEU 22 H LEU 22 10.537 -0.132 0.735 179 HA LEU 22 HA LEU 22 12.743 1.567 1.661 180 HB2 LEU 22 HB2 LEU 22 10.249 0.354 2.846 181 HB3 LEU 22 HB3 LEU 22 11.426 1.167 3.876 182 HG LEU 22 HG LEU 22 10.403 2.527 1.393 183 HD11 LEU 22 HD11 LEU 22 8.452 3.250 2.405 184 HD12 LEU 22 HD12 LEU 22 9.094 3.040 4.035 185 HD13 LEU 22 HD13 LEU 22 8.569 1.636 3.106 186 HD21 LEU 22 HD21 LEU 22 10.950 4.536 2.695 187 HD22 LEU 22 HD22 LEU 22 12.343 3.455 2.646 188 HD23 LEU 22 HD23 LEU 22 11.343 3.540 4.097 189 H ARG 23 H ARG 23 11.449 -1.441 3.079 190 HA ARG 23 HA ARG 23 14.021 -2.809 3.046 191 HB2 ARG 23 HB2 ARG 23 14.074 -2.717 5.669 192 HB3 ARG 23 HB3 ARG 23 14.692 -1.341 4.760 193 HG2 ARG 23 HG2 ARG 23 12.953 0.024 5.376 194 HG3 ARG 23 HG3 ARG 23 11.784 -1.297 5.389 195 HD2 ARG 23 HD2 ARG 23 13.530 -1.961 7.464 196 HD3 ARG 23 HD3 ARG 23 13.341 -0.202 7.607 197 HE ARG 23 HE ARG 23 10.847 -0.603 7.513 198 HH11 ARG 23 HH11 ARG 23 11.111 -3.537 6.745 199 HH12 ARG 23 HH12 ARG 23 10.765 -4.314 8.256 200 HH21 ARG 23 HH21 ARG 23 11.225 -1.433 10.147 201 HH22 ARG 23 HH22 ARG 23 10.829 -3.120 10.189 202 HA PRO 24 HA PRO 24 10.298 -5.461 3.660 203 HB2 PRO 24 HB2 PRO 24 10.930 -7.256 1.694 204 HB3 PRO 24 HB3 PRO 24 10.047 -5.748 1.378 205 HG2 PRO 24 HG2 PRO 24 12.910 -6.397 0.919 206 HG3 PRO 24 HG3 PRO 24 11.806 -5.407 -0.047 207 HD2 PRO 24 HD2 PRO 24 13.703 -4.392 1.658 208 HD3 PRO 24 HD3 PRO 24 12.229 -3.529 1.169 209 H GLU 25 H GLU 25 10.388 -8.037 3.872 210 HA GLU 25 HA GLU 25 12.302 -8.703 5.920 211 HB2 GLU 25 HB2 GLU 25 10.299 -10.209 4.229 212 HB3 GLU 25 HB3 GLU 25 11.309 -11.051 5.404 213 HG2 GLU 25 HG2 GLU 25 10.040 -10.332 7.122 214 HG3 GLU 25 HG3 GLU 25 10.141 -8.660 6.570 215 H ARG 26 H ARG 26 12.115 -9.424 2.443 216 HA ARG 26 HA ARG 26 13.740 -10.151 0.913 217 HB2 ARG 26 HB2 ARG 26 15.551 -9.508 3.267 218 HB3 ARG 26 HB3 ARG 26 16.114 -9.833 1.631 219 HG2 ARG 26 HG2 ARG 26 15.184 -7.861 0.774 220 HG3 ARG 26 HG3 ARG 26 14.040 -7.706 2.107 221 HD2 ARG 26 HD2 ARG 26 15.512 -6.477 3.316 222 HD3 ARG 26 HD3 ARG 26 16.796 -7.677 3.073 223 HE ARG 26 HE ARG 26 16.097 -5.586 1.042 224 HH11 ARG 26 HH11 ARG 26 17.740 -8.013 0.222 225 HH12 ARG 26 HH12 ARG 26 19.352 -7.397 0.366 226 HH21 ARG 26 HH21 ARG 26 18.410 -4.647 2.275 227 HH22 ARG 26 HH22 ARG 26 19.733 -5.483 1.534 Start of MODEL 29 1 HA ARG 1 HA ARG 1 -18.781 -0.484 -7.961 2 HB2 ARG 1 HB2 ARG 1 -21.245 -0.894 -7.735 3 HB3 ARG 1 HB3 ARG 1 -20.488 -1.944 -8.931 4 HG2 ARG 1 HG2 ARG 1 -20.667 -3.838 -7.583 5 HG3 ARG 1 HG3 ARG 1 -20.713 -2.896 -6.091 6 HD2 ARG 1 HD2 ARG 1 -22.982 -1.971 -7.087 7 HD3 ARG 1 HD3 ARG 1 -22.936 -3.475 -8.029 8 HE ARG 1 HE ARG 1 -22.342 -4.390 -5.527 9 HH11 ARG 1 HH11 ARG 1 -23.655 -1.943 -4.393 10 HH12 ARG 1 HH12 ARG 1 -25.295 -2.467 -4.199 11 HH21 ARG 1 HH21 ARG 1 -24.939 -5.218 -6.297 12 HH22 ARG 1 HH22 ARG 1 -26.025 -4.330 -5.282 13 H SER 2 H SER 2 -17.320 -1.318 -5.569 14 HA SER 2 HA SER 2 -19.092 -0.118 -3.464 15 HB2 SER 2 HB2 SER 2 -18.562 -2.670 -3.427 16 HB3 SER 2 HB3 SER 2 -16.947 -2.173 -2.931 17 HG SER 2 HG SER 2 -18.130 -2.434 -1.082 18 H ALA 3 H ALA 3 -17.780 0.903 -1.683 19 HA ALA 3 HA ALA 3 -15.426 2.330 -2.824 20 HB1 ALA 3 HB1 ALA 3 -15.888 3.707 -0.664 21 HB2 ALA 3 HB2 ALA 3 -17.372 2.762 -0.556 22 HB3 ALA 3 HB3 ALA 3 -17.080 3.787 -1.961 23 H LEU 4 H LEU 4 -16.373 0.529 0.127 24 HA LEU 4 HA LEU 4 -13.898 0.634 1.502 25 HB2 LEU 4 HB2 LEU 4 -14.784 -1.370 2.672 26 HB3 LEU 4 HB3 LEU 4 -16.025 -0.137 2.463 27 HG LEU 4 HG LEU 4 -16.172 -1.699 0.134 28 HD11 LEU 4 HD11 LEU 4 -15.943 -3.445 2.604 29 HD12 LEU 4 HD12 LEU 4 -14.791 -3.411 1.268 30 HD13 LEU 4 HD13 LEU 4 -16.437 -3.988 1.001 31 HD21 LEU 4 HD21 LEU 4 -18.170 -0.866 1.029 32 HD22 LEU 4 HD22 LEU 4 -17.783 -1.419 2.658 33 HD23 LEU 4 HD23 LEU 4 -18.280 -2.580 1.428 34 H VAL 5 H VAL 5 -14.815 -1.301 -1.271 35 HA VAL 5 HA VAL 5 -12.805 -3.354 -1.063 36 HB VAL 5 HB VAL 5 -14.308 -2.101 -3.388 37 HG11 VAL 5 HG11 VAL 5 -13.681 -4.513 -4.344 38 HG12 VAL 5 HG12 VAL 5 -12.288 -4.304 -3.282 39 HG13 VAL 5 HG13 VAL 5 -12.604 -3.134 -4.563 40 HG21 VAL 5 HG21 VAL 5 -15.820 -3.926 -3.151 41 HG22 VAL 5 HG22 VAL 5 -15.531 -3.361 -1.505 42 HG23 VAL 5 HG23 VAL 5 -14.713 -4.806 -2.097 43 H ASN 6 H ASN 6 -12.880 -0.278 -2.909 44 HA ASN 6 HA ASN 6 -10.180 -0.449 -3.899 45 HB2 ASN 6 HB2 ASN 6 -11.959 0.970 -4.854 46 HB3 ASN 6 HB3 ASN 6 -12.014 1.917 -3.366 47 HD21 ASN 6 HD21 ASN 6 -10.247 3.412 -2.943 48 HD22 ASN 6 HD22 ASN 6 -9.105 3.803 -4.137 49 H SER 7 H SER 7 -11.600 0.974 -0.946 50 HA SER 7 HA SER 7 -9.388 2.440 0.029 51 HB2 SER 7 HB2 SER 7 -11.464 0.753 1.466 52 HB3 SER 7 HB3 SER 7 -10.434 1.942 2.258 53 HG SER 7 HG SER 7 -12.650 2.567 1.431 54 H TYR 8 H TYR 8 -10.221 -0.976 0.775 55 HA TYR 8 HA TYR 8 -7.803 -1.601 2.178 56 HB2 TYR 8 HB2 TYR 8 -9.642 -3.069 2.429 57 HB3 TYR 8 HB3 TYR 8 -9.941 -3.135 0.693 58 HD1 TYR 8 HD1 TYR 8 -7.307 -3.997 3.224 59 HD2 TYR 8 HD2 TYR 8 -9.147 -4.960 -0.538 60 HE1 TYR 8 HE2 TYR 8 -5.889 -6.023 3.048 61 HE2 TYR 8 HE1 TYR 8 -7.727 -6.985 -0.713 62 HH TYR 8 HH TYR 8 -5.177 -7.542 0.488 63 H LEU 9 H LEU 9 -8.717 -1.989 -1.259 64 HA LEU 9 HA LEU 9 -6.373 -3.261 -2.226 65 HB2 LEU 9 HB2 LEU 9 -8.584 -1.566 -3.275 66 HB3 LEU 9 HB3 LEU 9 -7.166 -1.709 -4.309 67 HG LEU 9 HG LEU 9 -8.620 -4.079 -3.102 68 HD11 LEU 9 HD11 LEU 9 -8.730 -3.103 -5.968 69 HD12 LEU 9 HD12 LEU 9 -9.969 -2.720 -4.773 70 HD13 LEU 9 HD13 LEU 9 -9.679 -4.396 -5.236 71 HD21 LEU 9 HD21 LEU 9 -7.319 -5.170 -5.088 72 HD22 LEU 9 HD22 LEU 9 -6.429 -4.772 -3.618 73 HD23 LEU 9 HD23 LEU 9 -6.326 -3.714 -5.025 74 H TRP 10 H TRP 10 -7.072 0.210 -1.775 75 HA TRP 10 HA TRP 10 -4.590 1.177 -2.889 76 HB2 TRP 10 HB2 TRP 10 -6.448 2.657 -2.735 77 HB3 TRP 10 HB3 TRP 10 -6.737 2.248 -1.046 78 HD1 TRP 10 HD1 TRP 10 -3.934 3.885 -3.160 79 HE1 TRP 10 HE1 TRP 10 -2.858 5.753 -1.747 80 HE3 TRP 10 HE3 TRP 10 -6.552 3.317 1.180 81 HZ2 TRP 10 HZ2 TRP 10 -3.083 6.862 0.881 82 HZ3 TRP 10 HZ3 TRP 10 -6.104 4.789 3.123 83 HH2 TRP 10 HH2 TRP 10 -4.373 6.560 2.980 84 H GLN 11 H GLN 11 -5.629 0.332 0.423 85 HA GLN 11 HA GLN 11 -3.287 1.249 1.800 86 HB2 GLN 11 HB2 GLN 11 -5.520 -0.702 2.284 87 HB3 GLN 11 HB3 GLN 11 -4.173 -0.650 3.420 88 HG2 GLN 11 HG2 GLN 11 -4.758 1.403 4.228 89 HG3 GLN 11 HG3 GLN 11 -5.275 1.989 2.647 90 HE21 GLN 11 HE21 GLN 11 -7.440 2.614 2.958 91 HE22 GLN 11 HE22 GLN 11 -8.629 1.626 3.658 92 H ARG 12 H ARG 12 -4.045 -1.864 0.227 93 HA ARG 12 HA ARG 12 -1.648 -3.210 1.184 94 HB2 ARG 12 HB2 ARG 12 -4.009 -4.020 0.218 95 HB3 ARG 12 HB3 ARG 12 -3.102 -4.038 -1.296 96 HG2 ARG 12 HG2 ARG 12 -2.806 -6.215 -0.402 97 HG3 ARG 12 HG3 ARG 12 -1.310 -5.367 -0.011 98 HD2 ARG 12 HD2 ARG 12 -3.259 -4.922 2.089 99 HD3 ARG 12 HD3 ARG 12 -3.039 -6.662 1.814 100 HE ARG 12 HE ARG 12 -0.767 -4.771 2.317 101 HH11 ARG 12 HH11 ARG 12 -0.783 -7.744 1.126 102 HH12 ARG 12 HH12 ARG 12 -0.124 -8.573 2.498 103 HH21 ARG 12 HH21 ARG 12 -0.544 -5.875 4.653 104 HH22 ARG 12 HH22 ARG 12 0.012 -7.510 4.504 105 H TRP 13 H TRP 13 -2.535 -1.534 -1.854 106 HA TRP 13 HA TRP 13 -0.199 -2.194 -3.352 107 HB2 TRP 13 HB2 TRP 13 -1.369 -0.995 -4.878 108 HB3 TRP 13 HB3 TRP 13 -2.553 -0.671 -3.621 109 HD1 TRP 13 HD1 TRP 13 -2.973 1.775 -3.149 110 HE1 TRP 13 HE1 TRP 13 -1.709 3.983 -3.528 111 HE3 TRP 13 HE3 TRP 13 1.397 -0.031 -5.077 112 HZ2 TRP 13 HZ2 TRP 13 0.823 4.872 -4.520 113 HZ3 TRP 13 HZ3 TRP 13 3.217 1.519 -5.730 114 HH2 TRP 13 HH2 TRP 13 2.935 3.965 -5.455 115 H GLU 14 H GLU 14 -0.835 0.598 -1.193 116 HA GLU 14 HA GLU 14 1.722 1.861 -1.561 117 HB2 GLU 14 HB2 GLU 14 -0.618 2.002 0.247 118 HB3 GLU 14 HB3 GLU 14 0.891 2.593 0.943 119 HG2 GLU 14 HG2 GLU 14 1.100 3.795 -1.424 120 HG3 GLU 14 HG3 GLU 14 -0.657 3.638 -1.393 121 H ASN 15 H ASN 15 0.548 -0.488 0.873 122 HA ASN 15 HA ASN 15 2.858 -0.598 2.520 123 HB2 ASN 15 HB2 ASN 15 0.420 -1.762 2.488 124 HB3 ASN 15 HB3 ASN 15 1.386 -3.117 1.901 125 HD21 ASN 15 HD21 ASN 15 3.689 -3.107 3.314 126 HD22 ASN 15 HD22 ASN 15 3.413 -3.113 4.989 127 H TRP 16 H TRP 16 2.152 -2.230 -0.568 128 HA TRP 16 HA TRP 16 4.508 -3.929 -0.542 129 HB2 TRP 16 HB2 TRP 16 2.764 -4.638 -1.954 130 HB3 TRP 16 HB3 TRP 16 2.447 -3.005 -2.539 131 HD1 TRP 16 HD1 TRP 16 5.036 -5.834 -2.873 132 HE1 TRP 16 HE1 TRP 16 6.266 -5.554 -5.121 133 HE3 TRP 16 HE3 TRP 16 3.022 -1.407 -4.433 134 HZ2 TRP 16 HZ2 TRP 16 6.383 -3.696 -7.292 135 HZ3 TRP 16 HZ3 TRP 16 3.712 -0.405 -6.592 136 HH2 TRP 16 HH2 TRP 16 5.387 -1.543 -8.023 137 H PHE 17 H PHE 17 3.711 -0.820 -2.135 138 HA PHE 17 HA PHE 17 6.147 -0.366 -3.498 139 HB2 PHE 17 HB2 PHE 17 3.947 0.902 -3.593 140 HB3 PHE 17 HB3 PHE 17 4.417 1.690 -2.088 141 HD1 PHE 17 HD1 PHE 17 5.607 1.050 -5.578 142 HD2 PHE 17 HD2 PHE 17 5.797 3.595 -2.121 143 HE1 PHE 17 HE2 PHE 17 6.965 2.685 -6.856 144 HE2 PHE 17 HE1 PHE 17 7.155 5.229 -3.399 145 HZ PHE 17 HZ PHE 17 7.739 4.775 -5.767 146 H TRP 18 H TRP 18 5.217 0.798 -0.226 147 HA TRP 18 HA TRP 18 7.732 1.955 0.458 148 HB2 TRP 18 HB2 TRP 18 5.575 0.662 2.159 149 HB3 TRP 18 HB3 TRP 18 6.846 1.706 2.788 150 HD1 TRP 18 HD1 TRP 18 3.500 2.151 2.460 151 HE1 TRP 18 HE1 TRP 18 2.764 4.444 1.536 152 HE3 TRP 18 HE3 TRP 18 7.877 3.689 0.316 153 HZ2 TRP 18 HZ2 TRP 18 3.884 6.635 0.084 154 HZ3 TRP 18 HZ3 TRP 18 8.012 5.881 -0.828 155 HH2 TRP 18 HH2 TRP 18 6.023 7.356 -0.947 156 H ASN 19 H ASN 19 6.615 -1.405 0.613 157 HA ASN 19 HA ASN 19 8.713 -2.433 2.296 158 HB2 ASN 19 HB2 ASN 19 6.460 -3.357 0.751 159 HB3 ASN 19 HB3 ASN 19 7.840 -4.414 0.460 160 HD21 ASN 19 HD21 ASN 19 6.116 -2.843 3.219 161 HD22 ASN 19 HD22 ASN 19 6.364 -4.135 4.293 162 H VAL 20 H VAL 20 8.546 -1.833 -1.208 163 HA VAL 20 HA VAL 20 11.271 -3.038 -1.511 164 HB VAL 20 HB VAL 20 10.690 -3.023 -3.937 165 HG11 VAL 20 HG11 VAL 20 10.120 -4.959 -2.468 166 HG12 VAL 20 HG12 VAL 20 9.002 -4.778 -3.821 167 HG13 VAL 20 HG13 VAL 20 8.524 -4.253 -2.208 168 HG21 VAL 20 HG21 VAL 20 9.135 -1.013 -3.728 169 HG22 VAL 20 HG22 VAL 20 7.936 -2.116 -3.054 170 HG23 VAL 20 HG23 VAL 20 8.516 -2.346 -4.702 171 H THR 21 H THR 21 9.529 0.019 -1.723 172 HA THR 21 HA THR 21 11.663 1.394 -3.185 173 HB THR 21 HB THR 21 9.240 2.412 -1.669 174 HG1 THR 21 HG1 THR 21 9.648 1.689 -4.381 175 HG21 THR 21 HG21 THR 21 9.511 4.345 -3.305 176 HG22 THR 21 HG22 THR 21 11.110 3.698 -3.667 177 HG23 THR 21 HG23 THR 21 10.729 4.246 -2.034 178 H LEU 22 H LEU 22 10.648 1.128 0.210 179 HA LEU 22 HA LEU 22 12.512 3.166 1.156 180 HB2 LEU 22 HB2 LEU 22 10.900 0.999 2.530 181 HB3 LEU 22 HB3 LEU 22 11.792 2.253 3.387 182 HG LEU 22 HG LEU 22 9.626 2.805 1.338 183 HD11 LEU 22 HD11 LEU 22 8.164 3.287 3.195 184 HD12 LEU 22 HD12 LEU 22 9.473 3.055 4.353 185 HD13 LEU 22 HD13 LEU 22 8.833 1.677 3.459 186 HD21 LEU 22 HD21 LEU 22 11.101 4.678 1.464 187 HD22 LEU 22 HD22 LEU 22 11.264 4.524 3.214 188 HD23 LEU 22 HD23 LEU 22 9.744 5.085 2.516 189 H ARG 23 H ARG 23 12.820 -0.196 0.385 190 HA ARG 23 HA ARG 23 14.614 -1.708 0.610 191 HB2 ARG 23 HB2 ARG 23 15.602 0.582 -0.270 192 HB3 ARG 23 HB3 ARG 23 16.348 0.640 1.327 193 HG2 ARG 23 HG2 ARG 23 17.370 -1.561 0.952 194 HG3 ARG 23 HG3 ARG 23 16.592 -1.667 -0.627 195 HD2 ARG 23 HD2 ARG 23 18.498 0.572 0.137 196 HD3 ARG 23 HD3 ARG 23 18.999 -0.891 -0.736 197 HE ARG 23 HE ARG 23 17.287 1.257 -1.815 198 HH11 ARG 23 HH11 ARG 23 19.503 0.063 -3.393 199 HH12 ARG 23 HH12 ARG 23 18.669 -1.004 -4.473 200 HH21 ARG 23 HH21 ARG 23 15.730 -1.006 -2.613 201 HH22 ARG 23 HH22 ARG 23 16.521 -1.610 -4.029 202 HA PRO 24 HA PRO 24 14.340 -1.244 5.268 203 HB2 PRO 24 HB2 PRO 24 12.694 -3.382 5.731 204 HB3 PRO 24 HB3 PRO 24 12.086 -1.747 5.403 205 HG2 PRO 24 HG2 PRO 24 12.273 -4.096 3.593 206 HG3 PRO 24 HG3 PRO 24 11.026 -2.845 3.696 207 HD2 PRO 24 HD2 PRO 24 12.992 -2.912 1.784 208 HD3 PRO 24 HD3 PRO 24 12.147 -1.437 2.301 209 H GLU 25 H GLU 25 16.613 -2.089 4.318 210 HA GLU 25 HA GLU 25 17.178 -4.633 5.694 211 HB2 GLU 25 HB2 GLU 25 16.308 -5.033 3.279 212 HB3 GLU 25 HB3 GLU 25 17.862 -4.380 2.761 213 HG2 GLU 25 HG2 GLU 25 18.370 -6.643 2.890 214 HG3 GLU 25 HG3 GLU 25 18.820 -6.115 4.512 215 H ARG 26 H ARG 26 18.666 -2.537 3.178 216 HA ARG 26 HA ARG 26 20.835 -1.803 5.076 217 HB2 ARG 26 HB2 ARG 26 21.001 -3.619 2.721 218 HB3 ARG 26 HB3 ARG 26 22.314 -2.456 2.901 219 HG2 ARG 26 HG2 ARG 26 22.526 -3.230 5.310 220 HG3 ARG 26 HG3 ARG 26 21.411 -4.537 4.907 221 HD2 ARG 26 HD2 ARG 26 23.882 -4.066 3.233 222 HD3 ARG 26 HD3 ARG 26 23.954 -5.041 4.713 223 HE ARG 26 HE ARG 26 22.128 -6.459 3.717 224 HH11 ARG 26 HH11 ARG 26 24.716 -6.586 2.059 225 HH12 ARG 26 HH12 ARG 26 24.077 -6.478 0.454 226 HH21 ARG 26 HH21 ARG 26 20.956 -5.347 1.494 227 HH22 ARG 26 HH22 ARG 26 21.938 -5.774 0.131 Start of MODEL 30 1 HA ARG 1 HA ARG 1 -20.878 3.668 -0.725 2 HB2 ARG 1 HB2 ARG 1 -23.201 4.146 0.895 3 HB3 ARG 1 HB3 ARG 1 -21.775 4.245 1.930 4 HG2 ARG 1 HG2 ARG 1 -20.740 5.857 0.406 5 HG3 ARG 1 HG3 ARG 1 -22.105 5.718 -0.702 6 HD2 ARG 1 HD2 ARG 1 -23.625 6.631 1.000 7 HD3 ARG 1 HD3 ARG 1 -22.291 6.713 2.167 8 HE ARG 1 HE ARG 1 -21.466 8.066 -0.202 9 HH11 ARG 1 HH11 ARG 1 -21.193 9.342 2.437 10 HH12 ARG 1 HH12 ARG 1 -22.361 10.619 2.383 11 HH21 ARG 1 HH21 ARG 1 -24.090 9.275 -0.318 12 HH22 ARG 1 HH22 ARG 1 -24.008 10.581 0.816 13 H SER 2 H SER 2 -18.900 2.958 -0.009 14 HA SER 2 HA SER 2 -18.753 1.303 2.472 15 HB2 SER 2 HB2 SER 2 -18.692 0.293 -0.145 16 HB3 SER 2 HB3 SER 2 -17.005 0.326 0.355 17 HG SER 2 HG SER 2 -19.109 -1.207 1.258 18 H ALA 3 H ALA 3 -16.988 1.865 3.697 19 HA ALA 3 HA ALA 3 -14.953 3.691 2.461 20 HB1 ALA 3 HB1 ALA 3 -14.862 4.760 4.577 21 HB2 ALA 3 HB2 ALA 3 -15.586 3.377 5.398 22 HB3 ALA 3 HB3 ALA 3 -16.573 4.399 4.353 23 H LEU 4 H LEU 4 -15.194 0.500 3.142 24 HA LEU 4 HA LEU 4 -12.399 0.325 4.225 25 HB2 LEU 4 HB2 LEU 4 -13.123 -1.732 5.318 26 HB3 LEU 4 HB3 LEU 4 -14.247 -0.440 5.732 27 HG LEU 4 HG LEU 4 -15.231 -1.585 3.339 28 HD11 LEU 4 HD11 LEU 4 -13.721 -3.521 3.901 29 HD12 LEU 4 HD12 LEU 4 -15.434 -3.941 3.854 30 HD13 LEU 4 HD13 LEU 4 -14.623 -3.719 5.404 31 HD21 LEU 4 HD21 LEU 4 -16.395 -0.608 5.425 32 HD22 LEU 4 HD22 LEU 4 -16.218 -2.217 6.125 33 HD23 LEU 4 HD23 LEU 4 -17.166 -1.994 4.655 34 H VAL 5 H VAL 5 -14.053 0.003 1.384 35 HA VAL 5 HA VAL 5 -12.852 -2.559 0.509 36 HB VAL 5 HB VAL 5 -14.539 -0.461 -0.908 37 HG11 VAL 5 HG11 VAL 5 -13.269 -1.822 -2.502 38 HG12 VAL 5 HG12 VAL 5 -14.967 -2.298 -2.536 39 HG13 VAL 5 HG13 VAL 5 -13.788 -3.298 -1.687 40 HG21 VAL 5 HG21 VAL 5 -15.808 -1.441 0.892 41 HG22 VAL 5 HG22 VAL 5 -15.222 -3.058 0.502 42 HG23 VAL 5 HG23 VAL 5 -16.332 -2.234 -0.593 43 H ASN 6 H ASN 6 -12.759 0.861 -0.613 44 HA ASN 6 HA ASN 6 -10.553 0.486 -2.422 45 HB2 ASN 6 HB2 ASN 6 -12.211 2.344 -2.465 46 HB3 ASN 6 HB3 ASN 6 -11.517 2.974 -0.971 47 HD21 ASN 6 HD21 ASN 6 -10.997 2.650 -4.444 48 HD22 ASN 6 HD22 ASN 6 -9.600 3.612 -4.510 49 H SER 7 H SER 7 -10.685 1.523 1.008 50 HA SER 7 HA SER 7 -8.042 2.381 1.406 51 HB2 SER 7 HB2 SER 7 -9.971 2.312 3.044 52 HB3 SER 7 HB3 SER 7 -9.648 0.594 3.261 53 HG SER 7 HG SER 7 -8.569 1.854 4.828 54 H TYR 8 H TYR 8 -9.251 -0.994 1.634 55 HA TYR 8 HA TYR 8 -6.619 -2.147 2.039 56 HB2 TYR 8 HB2 TYR 8 -8.531 -3.334 2.833 57 HB3 TYR 8 HB3 TYR 8 -9.367 -3.176 1.289 58 HD1 TYR 8 HD1 TYR 8 -6.144 -4.543 2.657 59 HD2 TYR 8 HD2 TYR 8 -9.368 -5.012 -0.142 60 HE1 TYR 8 HE2 TYR 8 -5.173 -6.694 1.901 61 HE2 TYR 8 HE1 TYR 8 -8.396 -7.163 -0.900 62 HH TYR 8 HH TYR 8 -5.736 -8.102 -0.809 63 H LEU 9 H LEU 9 -8.801 -1.920 -0.802 64 HA LEU 9 HA LEU 9 -7.176 -3.292 -2.686 65 HB2 LEU 9 HB2 LEU 9 -9.426 -1.383 -2.643 66 HB3 LEU 9 HB3 LEU 9 -8.471 -1.317 -4.121 67 HG LEU 9 HG LEU 9 -10.286 -2.949 -4.363 68 HD11 LEU 9 HD11 LEU 9 -9.001 -4.707 -5.256 69 HD12 LEU 9 HD12 LEU 9 -7.772 -4.571 -3.999 70 HD13 LEU 9 HD13 LEU 9 -7.880 -3.346 -5.263 71 HD21 LEU 9 HD21 LEU 9 -9.024 -4.208 -1.911 72 HD22 LEU 9 HD22 LEU 9 -10.215 -5.021 -2.926 73 HD23 LEU 9 HD23 LEU 9 -10.656 -3.556 -2.050 74 H TRP 10 H TRP 10 -7.191 0.151 -1.748 75 HA TRP 10 HA TRP 10 -5.094 0.919 -3.612 76 HB2 TRP 10 HB2 TRP 10 -6.908 2.379 -2.658 77 HB3 TRP 10 HB3 TRP 10 -6.121 2.256 -1.088 78 HD1 TRP 10 HD1 TRP 10 -5.593 4.830 -0.999 79 HE1 TRP 10 HE1 TRP 10 -3.839 6.293 -2.186 80 HE3 TRP 10 HE3 TRP 10 -4.117 1.633 -4.714 81 HZ2 TRP 10 HZ2 TRP 10 -2.050 6.138 -4.404 82 HZ3 TRP 10 HZ3 TRP 10 -2.390 2.324 -6.344 83 HH2 TRP 10 HH2 TRP 10 -1.354 4.570 -6.195 84 H GLN 11 H GLN 11 -5.233 -0.080 -0.206 85 HA GLN 11 HA GLN 11 -2.537 0.583 0.520 86 HB2 GLN 11 HB2 GLN 11 -4.806 -1.009 1.536 87 HB3 GLN 11 HB3 GLN 11 -3.228 -1.588 2.065 88 HG2 GLN 11 HG2 GLN 11 -3.982 1.333 2.231 89 HG3 GLN 11 HG3 GLN 11 -4.351 0.202 3.533 90 HE21 GLN 11 HE21 GLN 11 -1.855 2.165 2.167 91 HE22 GLN 11 HE22 GLN 11 -0.580 1.594 3.130 92 H ARG 12 H ARG 12 -3.971 -2.370 -0.907 93 HA ARG 12 HA ARG 12 -1.759 -4.123 -0.770 94 HB2 ARG 12 HB2 ARG 12 -4.247 -3.824 -2.211 95 HB3 ARG 12 HB3 ARG 12 -3.003 -4.427 -3.305 96 HG2 ARG 12 HG2 ARG 12 -3.299 -5.643 -0.571 97 HG3 ARG 12 HG3 ARG 12 -4.382 -6.136 -1.873 98 HD2 ARG 12 HD2 ARG 12 -1.570 -6.053 -2.725 99 HD3 ARG 12 HD3 ARG 12 -1.867 -7.213 -1.416 100 HE ARG 12 HE ARG 12 -3.941 -7.835 -2.975 101 HH11 ARG 12 HH11 ARG 12 -1.151 -9.165 -3.264 102 HH12 ARG 12 HH12 ARG 12 -0.971 -9.133 -4.986 103 HH21 ARG 12 HH21 ARG 12 -3.552 -6.856 -5.477 104 HH22 ARG 12 HH22 ARG 12 -2.337 -7.825 -6.245 105 H TRP 13 H TRP 13 -2.248 -1.300 -2.810 106 HA TRP 13 HA TRP 13 -0.022 -1.935 -4.630 107 HB2 TRP 13 HB2 TRP 13 -2.359 -0.465 -4.722 108 HB3 TRP 13 HB3 TRP 13 -1.141 0.792 -4.533 109 HD1 TRP 13 HD1 TRP 13 -2.742 0.522 -7.196 110 HE1 TRP 13 HE1 TRP 13 -1.520 0.007 -9.407 111 HE3 TRP 13 HE3 TRP 13 1.559 -1.546 -5.374 112 HZ2 TRP 13 HZ2 TRP 13 0.952 -1.128 -10.286 113 HZ3 TRP 13 HZ3 TRP 13 3.325 -2.334 -6.920 114 HH2 TRP 13 HH2 TRP 13 3.030 -2.126 -9.371 115 H GLU 14 H GLU 14 -0.717 0.442 -2.044 116 HA GLU 14 HA GLU 14 1.963 1.625 -2.219 117 HB2 GLU 14 HB2 GLU 14 -0.287 1.978 -0.218 118 HB3 GLU 14 HB3 GLU 14 1.070 3.077 -0.463 119 HG2 GLU 14 HG2 GLU 14 0.310 3.264 -2.897 120 HG3 GLU 14 HG3 GLU 14 -1.171 2.447 -2.399 121 H ASN 15 H ASN 15 0.253 -0.551 0.055 122 HA ASN 15 HA ASN 15 2.079 -0.641 2.186 123 HB2 ASN 15 HB2 ASN 15 -0.178 -1.870 1.714 124 HB3 ASN 15 HB3 ASN 15 0.837 -3.131 1.015 125 HD21 ASN 15 HD21 ASN 15 2.716 -3.869 2.552 126 HD22 ASN 15 HD22 ASN 15 2.342 -3.970 4.203 127 H TRP 16 H TRP 16 2.221 -2.440 -0.907 128 HA TRP 16 HA TRP 16 4.735 -3.779 -0.288 129 HB2 TRP 16 HB2 TRP 16 3.334 -4.834 -1.884 130 HB3 TRP 16 HB3 TRP 16 3.001 -3.320 -2.724 131 HD1 TRP 16 HD1 TRP 16 5.686 -6.019 -2.348 132 HE1 TRP 16 HE1 TRP 16 7.367 -5.793 -4.285 133 HE3 TRP 16 HE3 TRP 16 4.027 -1.668 -4.455 134 HZ2 TRP 16 HZ2 TRP 16 7.938 -4.007 -6.440 135 HZ3 TRP 16 HZ3 TRP 16 5.163 -0.729 -6.447 136 HH2 TRP 16 HH2 TRP 16 7.116 -1.891 -7.440 137 H PHE 17 H PHE 17 3.798 -0.921 -2.226 138 HA PHE 17 HA PHE 17 6.326 -0.200 -3.269 139 HB2 PHE 17 HB2 PHE 17 3.835 0.744 -3.462 140 HB3 PHE 17 HB3 PHE 17 4.419 1.878 -2.246 141 HD1 PHE 17 HD1 PHE 17 6.718 3.032 -2.744 142 HD2 PHE 17 HD2 PHE 17 4.263 1.150 -5.725 143 HE1 PHE 17 HE1 PHE 17 7.870 4.332 -4.513 144 HE2 PHE 17 HE2 PHE 17 5.417 2.450 -7.495 145 HZ PHE 17 HZ PHE 17 7.220 4.041 -6.888 146 H TRP 18 H TRP 18 4.833 0.695 -0.138 147 HA TRP 18 HA TRP 18 7.084 2.285 0.762 148 HB2 TRP 18 HB2 TRP 18 4.728 0.962 2.141 149 HB3 TRP 18 HB3 TRP 18 5.844 2.050 2.964 150 HD1 TRP 18 HD1 TRP 18 2.597 2.292 1.742 151 HE1 TRP 18 HE1 TRP 18 2.021 4.596 0.738 152 HE3 TRP 18 HE3 TRP 18 7.302 4.154 1.042 153 HZ2 TRP 18 HZ2 TRP 18 3.374 6.916 -0.234 154 HZ3 TRP 18 HZ3 TRP 18 7.628 6.411 0.075 155 HH2 TRP 18 HH2 TRP 18 5.672 7.795 -0.563 156 H ASN 19 H ASN 19 5.953 -1.016 1.662 157 HA ASN 19 HA ASN 19 8.122 -1.632 3.417 158 HB2 ASN 19 HB2 ASN 19 5.799 -2.769 2.824 159 HB3 ASN 19 HB3 ASN 19 6.797 -3.724 1.729 160 HD21 ASN 19 HD21 ASN 19 9.004 -4.471 2.964 161 HD22 ASN 19 HD22 ASN 19 8.735 -5.132 4.504 162 H VAL 20 H VAL 20 8.021 -1.588 -0.098 163 HA VAL 20 HA VAL 20 10.540 -3.181 -0.247 164 HB VAL 20 HB VAL 20 8.541 -2.211 -2.316 165 HG11 VAL 20 HG11 VAL 20 10.717 -2.381 -3.372 166 HG12 VAL 20 HG12 VAL 20 9.770 -3.795 -3.834 167 HG13 VAL 20 HG13 VAL 20 11.018 -3.937 -2.597 168 HG21 VAL 20 HG21 VAL 20 7.395 -4.037 -1.655 169 HG22 VAL 20 HG22 VAL 20 8.691 -4.514 -0.559 170 HG23 VAL 20 HG23 VAL 20 8.732 -5.022 -2.247 171 H THR 21 H THR 21 9.276 0.089 -0.887 172 HA THR 21 HA THR 21 11.817 0.944 -2.122 173 HB THR 21 HB THR 21 9.259 2.398 -1.389 174 HG1 THR 21 HG1 THR 21 10.279 1.347 -3.821 175 HG21 THR 21 HG21 THR 21 10.769 4.152 -1.552 176 HG22 THR 21 HG22 THR 21 10.285 3.980 -3.239 177 HG23 THR 21 HG23 THR 21 11.810 3.288 -2.684 178 H LEU 22 H LEU 22 10.129 1.347 0.974 179 HA LEU 22 HA LEU 22 11.911 3.382 2.014 180 HB2 LEU 22 HB2 LEU 22 10.047 1.386 3.333 181 HB3 LEU 22 HB3 LEU 22 10.825 2.717 4.186 182 HG LEU 22 HG LEU 22 9.024 3.076 1.770 183 HD11 LEU 22 HD11 LEU 22 7.394 3.957 3.472 184 HD12 LEU 22 HD12 LEU 22 8.456 3.338 4.737 185 HD13 LEU 22 HD13 LEU 22 7.690 2.223 3.605 186 HD21 LEU 22 HD21 LEU 22 10.378 4.957 3.715 187 HD22 LEU 22 HD22 LEU 22 8.991 5.457 2.746 188 HD23 LEU 22 HD23 LEU 22 10.484 4.949 1.955 189 H ARG 23 H ARG 23 12.015 -0.135 1.949 190 HA ARG 23 HA ARG 23 13.866 -0.673 4.020 191 HB2 ARG 23 HB2 ARG 23 12.864 -1.939 1.560 192 HB3 ARG 23 HB3 ARG 23 14.485 -2.470 2.007 193 HG2 ARG 23 HG2 ARG 23 13.578 -2.823 4.367 194 HG3 ARG 23 HG3 ARG 23 11.967 -2.601 3.680 195 HD2 ARG 23 HD2 ARG 23 12.149 -4.543 2.324 196 HD3 ARG 23 HD3 ARG 23 13.910 -4.621 2.529 197 HE ARG 23 HE ARG 23 11.908 -5.286 4.640 198 HH11 ARG 23 HH11 ARG 23 13.851 -7.311 3.563 199 HH12 ARG 23 HH12 ARG 23 15.084 -7.313 4.780 200 HH21 ARG 23 HH21 ARG 23 14.055 -4.304 6.189 201 HH22 ARG 23 HH22 ARG 23 15.200 -5.602 6.275 202 HA PRO 24 HA PRO 24 17.516 0.001 1.033 203 HB2 PRO 24 HB2 PRO 24 17.047 0.830 -1.531 204 HB3 PRO 24 HB3 PRO 24 17.066 -0.880 -1.060 205 HG2 PRO 24 HG2 PRO 24 14.760 0.912 -1.585 206 HG3 PRO 24 HG3 PRO 24 14.950 -0.813 -1.922 207 HD2 PRO 24 HD2 PRO 24 13.524 0.223 0.193 208 HD3 PRO 24 HD3 PRO 24 14.195 -1.419 0.131 209 H GLU 25 H GLU 25 16.460 1.913 2.670 210 HA GLU 25 HA GLU 25 17.565 4.405 1.663 211 HB2 GLU 25 HB2 GLU 25 15.038 3.874 0.782 212 HB3 GLU 25 HB3 GLU 25 14.675 4.711 2.291 213 HG2 GLU 25 HG2 GLU 25 14.859 6.544 0.903 214 HG3 GLU 25 HG3 GLU 25 16.552 6.384 1.370 215 H ARG 26 H ARG 26 15.194 3.052 3.991 216 HA ARG 26 HA ARG 26 16.723 4.349 6.212 217 HB2 ARG 26 HB2 ARG 26 14.599 5.572 5.313 218 HB3 ARG 26 HB3 ARG 26 13.708 4.280 6.117 219 HG2 ARG 26 HG2 ARG 26 14.309 4.987 8.227 220 HG3 ARG 26 HG3 ARG 26 15.852 5.646 7.683 221 HD2 ARG 26 HD2 ARG 26 13.439 6.992 6.584 222 HD3 ARG 26 HD3 ARG 26 13.733 7.222 8.319 223 HE ARG 26 HE ARG 26 15.969 7.628 6.377 224 HH11 ARG 26 HH11 ARG 26 16.377 8.169 9.279 225 HH12 ARG 26 HH12 ARG 26 16.121 9.879 9.383 226 HH21 ARG 26 HH21 ARG 26 14.532 10.085 6.295 227 HH22 ARG 26 HH22 ARG 26 15.071 10.969 7.684 Start of MODEL 31 1 HA ARG 1 HA ARG 1 -17.343 -0.049 -8.787 2 HB2 ARG 1 HB2 ARG 1 -15.743 1.796 -9.781 3 HB3 ARG 1 HB3 ARG 1 -14.829 1.532 -8.295 4 HG2 ARG 1 HG2 ARG 1 -13.833 -0.115 -9.530 5 HG3 ARG 1 HG3 ARG 1 -15.252 -1.040 -9.040 6 HD2 ARG 1 HD2 ARG 1 -15.105 -1.303 -11.424 7 HD3 ARG 1 HD3 ARG 1 -16.387 -0.103 -11.166 8 HE ARG 1 HE ARG 1 -14.594 1.658 -11.530 9 HH11 ARG 1 HH11 ARG 1 -12.195 -0.056 -11.570 10 HH12 ARG 1 HH12 ARG 1 -11.925 -0.312 -13.261 11 HH21 ARG 1 HH21 ARG 1 -15.128 0.678 -14.186 12 HH22 ARG 1 HH22 ARG 1 -13.594 0.106 -14.750 13 H SER 2 H SER 2 -18.444 -0.143 -6.482 14 HA SER 2 HA SER 2 -18.296 -0.910 -4.259 15 HB2 SER 2 HB2 SER 2 -16.070 -1.911 -5.750 16 HB3 SER 2 HB3 SER 2 -15.497 -1.509 -4.135 17 HG SER 2 HG SER 2 -17.012 -3.569 -4.931 18 H ALA 3 H ALA 3 -16.625 -0.623 -2.221 19 HA ALA 3 HA ALA 3 -15.456 2.119 -2.227 20 HB1 ALA 3 HB1 ALA 3 -17.577 1.167 -0.276 21 HB2 ALA 3 HB2 ALA 3 -17.900 2.219 -1.654 22 HB3 ALA 3 HB3 ALA 3 -16.859 2.776 -0.344 23 H LEU 4 H LEU 4 -16.174 -0.786 -0.245 24 HA LEU 4 HA LEU 4 -13.951 -0.276 1.591 25 HB2 LEU 4 HB2 LEU 4 -16.257 -2.029 1.317 26 HB3 LEU 4 HB3 LEU 4 -14.833 -2.937 1.824 27 HG LEU 4 HG LEU 4 -14.487 -1.004 3.533 28 HD11 LEU 4 HD11 LEU 4 -17.399 -0.659 2.761 29 HD12 LEU 4 HD12 LEU 4 -16.123 0.554 2.656 30 HD13 LEU 4 HD13 LEU 4 -16.686 0.001 4.233 31 HD21 LEU 4 HD21 LEU 4 -15.127 -3.314 4.138 32 HD22 LEU 4 HD22 LEU 4 -16.816 -2.934 3.807 33 HD23 LEU 4 HD23 LEU 4 -15.980 -2.143 5.143 34 H VAL 5 H VAL 5 -14.494 -2.265 -1.273 35 HA VAL 5 HA VAL 5 -12.184 -3.964 -1.042 36 HB VAL 5 HB VAL 5 -13.735 -2.955 -3.456 37 HG11 VAL 5 HG11 VAL 5 -12.868 -4.942 -4.601 38 HG12 VAL 5 HG12 VAL 5 -11.966 -5.403 -3.158 39 HG13 VAL 5 HG13 VAL 5 -11.528 -3.942 -4.042 40 HG21 VAL 5 HG21 VAL 5 -15.354 -4.101 -2.274 41 HG22 VAL 5 HG22 VAL 5 -14.175 -5.098 -1.421 42 HG23 VAL 5 HG23 VAL 5 -14.600 -5.467 -3.093 43 H ASN 6 H ASN 6 -12.696 -0.962 -2.952 44 HA ASN 6 HA ASN 6 -10.005 -0.737 -3.918 45 HB2 ASN 6 HB2 ASN 6 -12.426 0.522 -4.291 46 HB3 ASN 6 HB3 ASN 6 -11.517 1.757 -3.421 47 HD21 ASN 6 HD21 ASN 6 -12.293 1.823 -6.295 48 HD22 ASN 6 HD22 ASN 6 -10.842 1.911 -7.172 49 H SER 7 H SER 7 -11.590 0.570 -0.978 50 HA SER 7 HA SER 7 -9.466 2.237 -0.061 51 HB2 SER 7 HB2 SER 7 -11.885 1.920 0.786 52 HB3 SER 7 HB3 SER 7 -11.264 0.541 1.689 53 HG SER 7 HG SER 7 -11.197 2.437 2.942 54 H TYR 8 H TYR 8 -10.133 -1.219 0.632 55 HA TYR 8 HA TYR 8 -7.781 -1.664 2.243 56 HB2 TYR 8 HB2 TYR 8 -9.584 -3.196 2.435 57 HB3 TYR 8 HB3 TYR 8 -9.741 -3.363 0.687 58 HD1 TYR 8 HD1 TYR 8 -7.282 -3.959 3.457 59 HD2 TYR 8 HD2 TYR 8 -8.755 -5.193 -0.385 60 HE1 TYR 8 HE2 TYR 8 -5.762 -5.917 3.502 61 HE2 TYR 8 HE1 TYR 8 -7.235 -7.151 -0.339 62 HH TYR 8 HH TYR 8 -5.974 -8.438 2.131 63 H LEU 9 H LEU 9 -8.498 -2.112 -1.224 64 HA LEU 9 HA LEU 9 -6.008 -3.294 -2.002 65 HB2 LEU 9 HB2 LEU 9 -8.336 -1.913 -3.237 66 HB3 LEU 9 HB3 LEU 9 -6.869 -1.949 -4.211 67 HG LEU 9 HG LEU 9 -8.095 -4.401 -2.917 68 HD11 LEU 9 HD11 LEU 9 -8.993 -4.960 -5.092 69 HD12 LEU 9 HD12 LEU 9 -8.222 -3.554 -5.824 70 HD13 LEU 9 HD13 LEU 9 -9.548 -3.337 -4.682 71 HD21 LEU 9 HD21 LEU 9 -5.822 -3.906 -4.846 72 HD22 LEU 9 HD22 LEU 9 -6.608 -5.480 -4.734 73 HD23 LEU 9 HD23 LEU 9 -5.791 -4.801 -3.327 74 H TRP 10 H TRP 10 -7.064 0.102 -1.782 75 HA TRP 10 HA TRP 10 -4.762 1.347 -2.924 76 HB2 TRP 10 HB2 TRP 10 -6.749 2.605 -2.619 77 HB3 TRP 10 HB3 TRP 10 -6.907 2.111 -0.937 78 HD1 TRP 10 HD1 TRP 10 -4.510 4.207 -3.136 79 HE1 TRP 10 HE1 TRP 10 -3.585 6.132 -1.691 80 HE3 TRP 10 HE3 TRP 10 -6.635 3.036 1.354 81 HZ2 TRP 10 HZ2 TRP 10 -3.726 7.050 1.015 82 HZ3 TRP 10 HZ3 TRP 10 -6.223 4.448 3.347 83 HH2 TRP 10 HH2 TRP 10 -4.772 6.453 3.184 84 H GLN 11 H GLN 11 -5.507 0.506 0.485 85 HA GLN 11 HA GLN 11 -3.086 1.573 1.610 86 HB2 GLN 11 HB2 GLN 11 -5.458 0.267 2.441 87 HB3 GLN 11 HB3 GLN 11 -4.127 -0.724 3.037 88 HG2 GLN 11 HG2 GLN 11 -3.700 2.170 3.384 89 HG3 GLN 11 HG3 GLN 11 -5.077 1.538 4.286 90 HE21 GLN 11 HE21 GLN 11 -1.579 0.894 3.706 91 HE22 GLN 11 HE22 GLN 11 -1.306 0.199 5.230 92 H ARG 12 H ARG 12 -3.890 -1.600 0.220 93 HA ARG 12 HA ARG 12 -1.481 -2.962 1.059 94 HB2 ARG 12 HB2 ARG 12 -3.890 -3.459 -0.414 95 HB3 ARG 12 HB3 ARG 12 -2.531 -4.008 -1.393 96 HG2 ARG 12 HG2 ARG 12 -2.764 -4.714 1.537 97 HG3 ARG 12 HG3 ARG 12 -3.513 -5.701 0.281 98 HD2 ARG 12 HD2 ARG 12 -0.703 -5.013 -0.302 99 HD3 ARG 12 HD3 ARG 12 -0.911 -6.006 1.154 100 HE ARG 12 HE ARG 12 -2.517 -7.371 -0.473 101 HH11 ARG 12 HH11 ARG 12 0.209 -8.448 -0.338 102 HH12 ARG 12 HH12 ARG 12 0.750 -8.385 -1.983 103 HH21 ARG 12 HH21 ARG 12 -1.731 -6.167 -2.988 104 HH22 ARG 12 HH22 ARG 12 -0.357 -7.095 -3.492 105 H TRP 13 H TRP 13 -2.364 -1.111 -1.863 106 HA TRP 13 HA TRP 13 -0.068 -1.716 -3.444 107 HB2 TRP 13 HB2 TRP 13 -1.381 -0.495 -4.824 108 HB3 TRP 13 HB3 TRP 13 -2.369 0.010 -3.461 109 HD1 TRP 13 HD1 TRP 13 -2.444 2.505 -3.096 110 HE1 TRP 13 HE1 TRP 13 -0.937 4.517 -3.675 111 HE3 TRP 13 HE3 TRP 13 1.489 0.075 -5.256 112 HZ2 TRP 13 HZ2 TRP 13 1.600 5.027 -4.894 113 HZ3 TRP 13 HZ3 TRP 13 3.436 1.343 -6.118 114 HH2 TRP 13 HH2 TRP 13 3.496 3.814 -5.938 115 H GLU 14 H GLU 14 -0.622 0.976 -1.132 116 HA GLU 14 HA GLU 14 2.028 2.099 -1.433 117 HB2 GLU 14 HB2 GLU 14 -0.261 2.308 0.513 118 HB3 GLU 14 HB3 GLU 14 1.273 3.105 0.872 119 HG2 GLU 14 HG2 GLU 14 1.165 4.186 -1.395 120 HG3 GLU 14 HG3 GLU 14 -0.452 3.511 -1.583 121 H ASN 15 H ASN 15 0.588 -0.265 0.822 122 HA ASN 15 HA ASN 15 2.796 -0.540 2.614 123 HB2 ASN 15 HB2 ASN 15 0.753 -1.547 3.242 124 HB3 ASN 15 HB3 ASN 15 0.527 -2.288 1.659 125 HD21 ASN 15 HD21 ASN 15 3.371 -2.373 3.896 126 HD22 ASN 15 HD22 ASN 15 3.423 -4.067 3.990 127 H TRP 16 H TRP 16 1.969 -2.361 -0.362 128 HA TRP 16 HA TRP 16 4.376 -3.956 -0.400 129 HB2 TRP 16 HB2 TRP 16 2.564 -4.772 -1.669 130 HB3 TRP 16 HB3 TRP 16 2.196 -3.181 -2.338 131 HD1 TRP 16 HD1 TRP 16 4.725 -6.050 -2.668 132 HE1 TRP 16 HE1 TRP 16 5.872 -5.876 -4.969 133 HE3 TRP 16 HE3 TRP 16 2.767 -1.620 -4.295 134 HZ2 TRP 16 HZ2 TRP 16 5.952 -4.094 -7.201 135 HZ3 TRP 16 HZ3 TRP 16 3.399 -0.709 -6.510 136 HH2 TRP 16 HH2 TRP 16 4.986 -1.939 -7.965 137 H PHE 17 H PHE 17 3.438 -0.878 -1.958 138 HA PHE 17 HA PHE 17 5.710 -0.437 -3.579 139 HB2 PHE 17 HB2 PHE 17 3.736 0.953 -3.687 140 HB3 PHE 17 HB3 PHE 17 3.901 1.415 -1.995 141 HD1 PHE 17 HD1 PHE 17 5.645 1.609 -5.298 142 HD2 PHE 17 HD2 PHE 17 5.151 3.316 -1.387 143 HE1 PHE 17 HE2 PHE 17 7.067 3.531 -5.955 144 HE2 PHE 17 HE1 PHE 17 6.573 5.237 -2.045 145 HZ PHE 17 HZ PHE 17 7.531 5.344 -4.328 146 H TRP 18 H TRP 18 5.179 0.843 -0.257 147 HA TRP 18 HA TRP 18 7.862 1.781 0.111 148 HB2 TRP 18 HB2 TRP 18 5.586 0.993 1.941 149 HB3 TRP 18 HB3 TRP 18 7.110 1.610 2.579 150 HD1 TRP 18 HD1 TRP 18 3.897 2.886 1.913 151 HE1 TRP 18 HE1 TRP 18 3.910 5.369 1.220 152 HE3 TRP 18 HE3 TRP 18 8.830 3.443 0.710 153 HZ2 TRP 18 HZ2 TRP 18 5.767 7.332 0.282 154 HZ3 TRP 18 HZ3 TRP 18 9.692 5.628 -0.080 155 HH2 TRP 18 HH2 TRP 18 8.168 7.571 -0.296 156 H ASN 19 H ASN 19 6.339 -1.374 0.734 157 HA ASN 19 HA ASN 19 8.314 -2.628 2.315 158 HB2 ASN 19 HB2 ASN 19 6.058 -3.495 1.616 159 HB3 ASN 19 HB3 ASN 19 6.723 -3.816 0.016 160 HD21 ASN 19 HD21 ASN 19 6.552 -4.994 3.305 161 HD22 ASN 19 HD22 ASN 19 7.502 -6.380 3.063 162 H VAL 20 H VAL 20 8.271 -2.095 -1.217 163 HA VAL 20 HA VAL 20 10.965 -3.380 -1.423 164 HB VAL 20 HB VAL 20 10.442 -3.382 -3.865 165 HG11 VAL 20 HG11 VAL 20 8.743 -5.104 -3.763 166 HG12 VAL 20 HG12 VAL 20 8.170 -4.510 -2.205 167 HG13 VAL 20 HG13 VAL 20 9.762 -5.258 -2.333 168 HG21 VAL 20 HG21 VAL 20 8.311 -2.648 -4.689 169 HG22 VAL 20 HG22 VAL 20 8.948 -1.322 -3.719 170 HG23 VAL 20 HG23 VAL 20 7.700 -2.377 -3.060 171 H THR 21 H THR 21 9.339 -0.276 -1.664 172 HA THR 21 HA THR 21 11.474 1.065 -3.135 173 HB THR 21 HB THR 21 9.115 2.044 -1.498 174 HG1 THR 21 HG1 THR 21 8.326 1.066 -3.251 175 HG21 THR 21 HG21 THR 21 10.440 3.951 -1.580 176 HG22 THR 21 HG22 THR 21 9.558 4.099 -3.101 177 HG23 THR 21 HG23 THR 21 11.208 3.477 -3.095 178 H LEU 22 H LEU 22 10.751 0.483 0.262 179 HA LEU 22 HA LEU 22 12.555 2.508 1.312 180 HB2 LEU 22 HB2 LEU 22 11.154 0.068 2.410 181 HB3 LEU 22 HB3 LEU 22 12.211 1.056 3.417 182 HG LEU 22 HG LEU 22 9.809 2.100 1.883 183 HD11 LEU 22 HD11 LEU 22 10.182 1.626 4.857 184 HD12 LEU 22 HD12 LEU 22 9.199 0.626 3.788 185 HD13 LEU 22 HD13 LEU 22 8.749 2.305 4.085 186 HD21 LEU 22 HD21 LEU 22 11.308 3.911 2.118 187 HD22 LEU 22 HD22 LEU 22 11.869 3.358 3.696 188 HD23 LEU 22 HD23 LEU 22 10.262 4.064 3.529 189 H ARG 23 H ARG 23 13.086 -0.558 -0.120 190 HA ARG 23 HA ARG 23 15.004 -1.896 -0.363 191 HB2 ARG 23 HB2 ARG 23 16.074 0.817 0.422 192 HB3 ARG 23 HB3 ARG 23 17.166 -0.528 0.103 193 HG2 ARG 23 HG2 ARG 23 15.748 -0.798 -2.093 194 HG3 ARG 23 HG3 ARG 23 15.302 0.880 -1.785 195 HD2 ARG 23 HD2 ARG 23 18.085 0.809 -1.382 196 HD3 ARG 23 HD3 ARG 23 17.803 -0.171 -2.836 197 HE ARG 23 HE ARG 23 16.395 1.791 -3.669 198 HH11 ARG 23 HH11 ARG 23 19.266 2.495 -3.905 199 HH12 ARG 23 HH12 ARG 23 19.356 4.020 -3.088 200 HH21 ARG 23 HH21 ARG 23 16.308 3.621 -1.461 201 HH22 ARG 23 HH22 ARG 23 17.675 4.660 -1.698 202 HA PRO 24 HA PRO 24 15.103 -2.762 4.173 203 HB2 PRO 24 HB2 PRO 24 14.158 -5.325 3.997 204 HB3 PRO 24 HB3 PRO 24 13.093 -3.910 4.113 205 HG2 PRO 24 HG2 PRO 24 13.808 -5.550 1.748 206 HG3 PRO 24 HG3 PRO 24 12.285 -4.740 2.147 207 HD2 PRO 24 HD2 PRO 24 14.147 -3.797 0.340 208 HD3 PRO 24 HD3 PRO 24 12.920 -2.801 1.150 209 H GLU 25 H GLU 25 17.458 -2.632 3.027 210 HA GLU 25 HA GLU 25 18.716 -5.310 3.442 211 HB2 GLU 25 HB2 GLU 25 20.050 -4.941 1.388 212 HB3 GLU 25 HB3 GLU 25 18.325 -4.945 1.024 213 HG2 GLU 25 HG2 GLU 25 18.407 -2.401 1.234 214 HG3 GLU 25 HG3 GLU 25 20.163 -2.550 1.252 215 H ARG 26 H ARG 26 20.733 -5.186 4.463 216 HA ARG 26 HA ARG 26 22.023 -2.516 4.792 217 HB2 ARG 26 HB2 ARG 26 20.344 -2.978 6.628 218 HB3 ARG 26 HB3 ARG 26 21.319 -4.374 7.087 219 HG2 ARG 26 HG2 ARG 26 23.100 -2.170 6.841 220 HG3 ARG 26 HG3 ARG 26 21.716 -1.610 7.779 221 HD2 ARG 26 HD2 ARG 26 23.195 -2.544 9.403 222 HD3 ARG 26 HD3 ARG 26 21.997 -3.824 9.125 223 HE ARG 26 HE ARG 26 23.616 -4.990 7.735 224 HH11 ARG 26 HH11 ARG 26 25.227 -4.169 10.216 225 HH12 ARG 26 HH12 ARG 26 26.682 -3.584 9.482 226 HH21 ARG 26 HH21 ARG 26 25.284 -3.325 6.308 227 HH22 ARG 26 HH22 ARG 26 26.715 -3.105 7.260 Start of MODEL 32 1 HA ARG 1 HA ARG 1 -20.230 2.760 -3.805 2 HB2 ARG 1 HB2 ARG 1 -21.892 4.363 -2.120 3 HB3 ARG 1 HB3 ARG 1 -20.273 4.369 -1.424 4 HG2 ARG 1 HG2 ARG 1 -19.299 5.207 -3.426 5 HG3 ARG 1 HG3 ARG 1 -20.745 4.851 -4.371 6 HD2 ARG 1 HD2 ARG 1 -20.767 6.829 -2.068 7 HD3 ARG 1 HD3 ARG 1 -20.447 7.312 -3.746 8 HE ARG 1 HE ARG 1 -22.701 5.943 -4.152 9 HH11 ARG 1 HH11 ARG 1 -22.905 6.160 -1.025 10 HH12 ARG 1 HH12 ARG 1 -24.071 7.434 -0.899 11 HH21 ARG 1 HH21 ARG 1 -23.763 8.394 -4.226 12 HH22 ARG 1 HH22 ARG 1 -24.559 8.705 -2.721 13 H SER 2 H SER 2 -18.160 2.188 -3.103 14 HA SER 2 HA SER 2 -18.002 0.376 -0.758 15 HB2 SER 2 HB2 SER 2 -16.025 1.163 -2.924 16 HB3 SER 2 HB3 SER 2 -15.760 -0.103 -1.729 17 HG SER 2 HG SER 2 -16.708 -0.622 -3.936 18 H ALA 3 H ALA 3 -17.055 0.992 1.160 19 HA ALA 3 HA ALA 3 -15.729 3.682 1.259 20 HB1 ALA 3 HB1 ALA 3 -16.505 3.668 3.613 21 HB2 ALA 3 HB2 ALA 3 -17.171 2.052 3.377 22 HB3 ALA 3 HB3 ALA 3 -17.850 3.421 2.498 23 H LEU 4 H LEU 4 -15.553 0.351 2.559 24 HA LEU 4 HA LEU 4 -12.757 0.886 3.469 25 HB2 LEU 4 HB2 LEU 4 -14.977 -0.990 4.210 26 HB3 LEU 4 HB3 LEU 4 -13.316 -1.455 4.571 27 HG LEU 4 HG LEU 4 -13.304 1.111 5.470 28 HD11 LEU 4 HD11 LEU 4 -15.398 1.498 6.700 29 HD12 LEU 4 HD12 LEU 4 -16.079 0.016 6.029 30 HD13 LEU 4 HD13 LEU 4 -15.719 1.379 4.970 31 HD21 LEU 4 HD21 LEU 4 -13.676 0.089 7.740 32 HD22 LEU 4 HD22 LEU 4 -12.518 -0.799 6.750 33 HD23 LEU 4 HD23 LEU 4 -14.164 -1.402 6.936 34 H VAL 5 H VAL 5 -14.626 -0.951 1.156 35 HA VAL 5 HA VAL 5 -12.832 -3.097 0.603 36 HB VAL 5 HB VAL 5 -14.755 -1.555 -1.176 37 HG11 VAL 5 HG11 VAL 5 -14.791 -3.851 -2.376 38 HG12 VAL 5 HG12 VAL 5 -13.259 -4.148 -1.554 39 HG13 VAL 5 HG13 VAL 5 -13.411 -2.793 -2.673 40 HG21 VAL 5 HG21 VAL 5 -15.844 -2.529 0.787 41 HG22 VAL 5 HG22 VAL 5 -15.061 -4.080 0.484 42 HG23 VAL 5 HG23 VAL 5 -16.273 -3.469 -0.642 43 H ASN 6 H ASN 6 -13.129 0.069 -1.081 44 HA ASN 6 HA ASN 6 -10.809 -0.317 -2.755 45 HB2 ASN 6 HB2 ASN 6 -12.878 1.610 -2.278 46 HB3 ASN 6 HB3 ASN 6 -11.331 2.455 -2.255 47 HD21 ASN 6 HD21 ASN 6 -10.085 2.521 -4.243 48 HD22 ASN 6 HD22 ASN 6 -10.726 1.991 -5.722 49 H SER 7 H SER 7 -11.256 1.065 0.493 50 HA SER 7 HA SER 7 -8.757 2.383 0.812 51 HB2 SER 7 HB2 SER 7 -10.716 0.985 2.624 52 HB3 SER 7 HB3 SER 7 -9.220 1.633 3.286 53 HG SER 7 HG SER 7 -11.461 2.924 2.626 54 H TYR 8 H TYR 8 -9.653 -1.028 1.427 55 HA TYR 8 HA TYR 8 -7.001 -1.856 2.261 56 HB2 TYR 8 HB2 TYR 8 -8.920 -3.142 2.918 57 HB3 TYR 8 HB3 TYR 8 -9.502 -3.248 1.257 58 HD1 TYR 8 HD1 TYR 8 -6.612 -4.210 3.432 59 HD2 TYR 8 HD2 TYR 8 -8.913 -5.082 -0.088 60 HE1 TYR 8 HE1 TYR 8 -5.325 -6.304 3.110 61 HE2 TYR 8 HE2 TYR 8 -7.628 -7.178 -0.409 62 HH TYR 8 HH TYR 8 -6.155 -8.751 1.588 63 H LEU 9 H LEU 9 -8.783 -1.879 -0.823 64 HA LEU 9 HA LEU 9 -6.881 -3.300 -2.415 65 HB2 LEU 9 HB2 LEU 9 -9.145 -1.386 -2.805 66 HB3 LEU 9 HB3 LEU 9 -8.088 -1.669 -4.184 67 HG LEU 9 HG LEU 9 -9.437 -3.861 -2.581 68 HD11 LEU 9 HD11 LEU 9 -11.000 -4.065 -4.399 69 HD12 LEU 9 HD12 LEU 9 -10.118 -2.885 -5.367 70 HD13 LEU 9 HD13 LEU 9 -10.986 -2.366 -3.923 71 HD21 LEU 9 HD21 LEU 9 -7.505 -4.787 -3.584 72 HD22 LEU 9 HD22 LEU 9 -7.673 -3.794 -5.032 73 HD23 LEU 9 HD23 LEU 9 -8.782 -5.135 -4.749 74 H TRP 10 H TRP 10 -7.334 0.229 -1.948 75 HA TRP 10 HA TRP 10 -5.070 1.049 -3.517 76 HB2 TRP 10 HB2 TRP 10 -6.907 2.540 -2.924 77 HB3 TRP 10 HB3 TRP 10 -6.584 2.314 -1.206 78 HD1 TRP 10 HD1 TRP 10 -5.872 4.706 -0.550 79 HE1 TRP 10 HE1 TRP 10 -3.927 6.260 -1.223 80 HE3 TRP 10 HE3 TRP 10 -3.991 2.108 -4.530 81 HZ2 TRP 10 HZ2 TRP 10 -1.851 6.384 -3.184 82 HZ3 TRP 10 HZ3 TRP 10 -2.032 2.969 -5.778 83 HH2 TRP 10 HH2 TRP 10 -0.961 5.101 -5.111 84 H GLN 11 H GLN 11 -5.449 0.208 -0.077 85 HA GLN 11 HA GLN 11 -2.893 1.046 0.870 86 HB2 GLN 11 HB2 GLN 11 -5.103 -0.739 1.661 87 HB3 GLN 11 HB3 GLN 11 -3.539 -1.220 2.317 88 HG2 GLN 11 HG2 GLN 11 -3.330 1.355 2.880 89 HG3 GLN 11 HG3 GLN 11 -5.091 1.303 2.779 90 HE21 GLN 11 HE21 GLN 11 -2.485 -0.770 4.213 91 HE22 GLN 11 HE22 GLN 11 -3.305 -1.024 5.677 92 H ARG 12 H ARG 12 -3.939 -2.078 -0.534 93 HA ARG 12 HA ARG 12 -1.570 -3.583 -0.255 94 HB2 ARG 12 HB2 ARG 12 -3.964 -4.073 -1.235 95 HB3 ARG 12 HB3 ARG 12 -3.222 -3.628 -2.772 96 HG2 ARG 12 HG2 ARG 12 -1.421 -5.314 -2.334 97 HG3 ARG 12 HG3 ARG 12 -2.299 -5.819 -0.889 98 HD2 ARG 12 HD2 ARG 12 -3.184 -7.335 -2.415 99 HD3 ARG 12 HD3 ARG 12 -4.318 -5.992 -2.669 100 HE ARG 12 HE ARG 12 -2.883 -5.273 -4.583 101 HH11 ARG 12 HH11 ARG 12 -0.527 -7.047 -3.692 102 HH12 ARG 12 HH12 ARG 12 -0.590 -8.291 -4.893 103 HH21 ARG 12 HH21 ARG 12 -3.800 -7.473 -5.949 104 HH22 ARG 12 HH22 ARG 12 -2.451 -8.535 -6.176 105 H TRP 13 H TRP 13 -2.393 -1.126 -2.692 106 HA TRP 13 HA TRP 13 -0.223 -1.527 -4.503 107 HB2 TRP 13 HB2 TRP 13 -2.411 0.187 -4.138 108 HB3 TRP 13 HB3 TRP 13 -1.015 1.258 -4.092 109 HD1 TRP 13 HD1 TRP 13 -3.194 1.024 -6.474 110 HE1 TRP 13 HE1 TRP 13 -2.331 0.608 -8.872 111 HE3 TRP 13 HE3 TRP 13 1.421 -0.888 -5.428 112 HZ2 TRP 13 HZ2 TRP 13 0.011 -0.399 -10.168 113 HZ3 TRP 13 HZ3 TRP 13 2.947 -1.564 -7.260 114 HH2 TRP 13 HH2 TRP 13 2.249 -1.321 -9.624 115 H GLU 14 H GLU 14 -0.522 0.982 -1.967 116 HA GLU 14 HA GLU 14 2.278 1.715 -2.082 117 HB2 GLU 14 HB2 GLU 14 0.075 2.239 -0.061 118 HB3 GLU 14 HB3 GLU 14 1.612 3.103 -0.128 119 HG2 GLU 14 HG2 GLU 14 0.849 3.397 -2.699 120 HG3 GLU 14 HG3 GLU 14 -0.742 3.288 -1.943 121 H ASN 15 H ASN 15 0.390 -0.522 -0.074 122 HA ASN 15 HA ASN 15 2.094 -0.942 2.119 123 HB2 ASN 15 HB2 ASN 15 -0.003 -2.051 2.043 124 HB3 ASN 15 HB3 ASN 15 0.322 -2.737 0.453 125 HD21 ASN 15 HD21 ASN 15 2.424 -2.760 3.394 126 HD22 ASN 15 HD22 ASN 15 2.508 -4.453 3.488 127 H TRP 16 H TRP 16 2.260 -2.545 -1.088 128 HA TRP 16 HA TRP 16 4.721 -3.978 -0.489 129 HB2 TRP 16 HB2 TRP 16 3.405 -4.950 -2.168 130 HB3 TRP 16 HB3 TRP 16 2.981 -3.393 -2.876 131 HD1 TRP 16 HD1 TRP 16 5.805 -5.974 -2.771 132 HE1 TRP 16 HE1 TRP 16 7.403 -5.533 -4.742 133 HE3 TRP 16 HE3 TRP 16 3.847 -1.594 -4.533 134 HZ2 TRP 16 HZ2 TRP 16 7.801 -3.584 -6.793 135 HZ3 TRP 16 HZ3 TRP 16 4.861 -0.469 -6.494 136 HH2 TRP 16 HH2 TRP 16 6.835 -1.458 -7.623 137 H PHE 17 H PHE 17 3.914 -0.973 -2.244 138 HA PHE 17 HA PHE 17 6.488 -0.306 -3.227 139 HB2 PHE 17 HB2 PHE 17 4.648 0.927 -4.019 140 HB3 PHE 17 HB3 PHE 17 4.011 1.196 -2.399 141 HD1 PHE 17 HD1 PHE 17 7.048 1.972 -4.472 142 HD2 PHE 17 HD2 PHE 17 4.361 3.260 -1.377 143 HE1 PHE 17 HE2 PHE 17 8.219 4.154 -4.362 144 HE2 PHE 17 HE1 PHE 17 5.535 5.441 -1.268 145 HZ PHE 17 HZ PHE 17 7.464 5.889 -2.760 146 H TRP 18 H TRP 18 4.975 0.539 -0.083 147 HA TRP 18 HA TRP 18 7.149 2.107 0.922 148 HB2 TRP 18 HB2 TRP 18 4.907 0.506 2.168 149 HB3 TRP 18 HB3 TRP 18 6.032 1.441 3.153 150 HD1 TRP 18 HD1 TRP 18 2.765 1.854 2.027 151 HE1 TRP 18 HE1 TRP 18 2.148 4.292 1.467 152 HE3 TRP 18 HE3 TRP 18 7.436 3.886 1.642 153 HZ2 TRP 18 HZ2 TRP 18 3.458 6.774 0.931 154 HZ3 TRP 18 HZ3 TRP 18 7.721 6.287 1.109 155 HH2 TRP 18 HH2 TRP 18 5.739 7.733 0.754 156 H ASN 19 H ASN 19 6.319 -1.304 1.765 157 HA ASN 19 HA ASN 19 8.700 -1.821 3.253 158 HB2 ASN 19 HB2 ASN 19 6.371 -3.192 2.303 159 HB3 ASN 19 HB3 ASN 19 7.778 -4.198 1.957 160 HD21 ASN 19 HD21 ASN 19 5.866 -2.758 4.562 161 HD22 ASN 19 HD22 ASN 19 6.637 -3.587 5.826 162 H VAL 20 H VAL 20 8.157 -1.876 -0.245 163 HA VAL 20 HA VAL 20 10.718 -3.280 -0.743 164 HB VAL 20 HB VAL 20 8.514 -2.154 -2.499 165 HG11 VAL 20 HG11 VAL 20 10.578 -2.078 -3.772 166 HG12 VAL 20 HG12 VAL 20 9.637 -3.463 -4.323 167 HG13 VAL 20 HG13 VAL 20 11.011 -3.705 -3.245 168 HG21 VAL 20 HG21 VAL 20 7.522 -4.143 -2.136 169 HG22 VAL 20 HG22 VAL 20 8.802 -4.559 -1.000 170 HG23 VAL 20 HG23 VAL 20 8.962 -4.987 -2.703 171 H THR 21 H THR 21 9.481 0.030 -0.736 172 HA THR 21 HA THR 21 11.938 0.997 -2.117 173 HB THR 21 HB THR 21 9.341 2.338 -1.312 174 HG1 THR 21 HG1 THR 21 10.378 1.463 -3.808 175 HG21 THR 21 HG21 THR 21 10.379 3.982 -3.163 176 HG22 THR 21 HG22 THR 21 11.884 3.373 -2.471 177 HG23 THR 21 HG23 THR 21 10.703 4.183 -1.441 178 H LEU 22 H LEU 22 10.195 1.339 0.972 179 HA LEU 22 HA LEU 22 11.876 3.353 2.123 180 HB2 LEU 22 HB2 LEU 22 10.153 1.149 3.272 181 HB3 LEU 22 HB3 LEU 22 10.956 2.343 4.289 182 HG LEU 22 HG LEU 22 9.106 3.075 2.004 183 HD11 LEU 22 HD11 LEU 22 7.404 3.504 3.712 184 HD12 LEU 22 HD12 LEU 22 8.512 2.974 4.978 185 HD13 LEU 22 HD13 LEU 22 7.912 1.816 3.791 186 HD21 LEU 22 HD21 LEU 22 10.339 4.618 4.307 187 HD22 LEU 22 HD22 LEU 22 9.071 5.263 3.264 188 HD23 LEU 22 HD23 LEU 22 10.647 4.854 2.586 189 H ARG 23 H ARG 23 12.212 -0.170 1.981 190 HA ARG 23 HA ARG 23 14.296 -0.481 3.903 191 HB2 ARG 23 HB2 ARG 23 13.120 -1.975 1.631 192 HB3 ARG 23 HB3 ARG 23 14.774 -2.433 2.040 193 HG2 ARG 23 HG2 ARG 23 12.635 -2.166 4.156 194 HG3 ARG 23 HG3 ARG 23 12.881 -3.672 3.274 195 HD2 ARG 23 HD2 ARG 23 15.309 -2.378 4.450 196 HD3 ARG 23 HD3 ARG 23 14.187 -3.185 5.563 197 HE ARG 23 HE ARG 23 14.379 -5.203 4.022 198 HH11 ARG 23 HH11 ARG 23 16.859 -5.079 5.584 199 HH12 ARG 23 HH12 ARG 23 18.096 -5.077 4.373 200 HH21 ARG 23 HH21 ARG 23 15.936 -4.188 1.797 201 HH22 ARG 23 HH22 ARG 23 17.572 -4.565 2.219 202 HA PRO 24 HA PRO 24 17.512 0.148 0.462 203 HB2 PRO 24 HB2 PRO 24 16.707 0.641 -2.105 204 HB3 PRO 24 HB3 PRO 24 16.919 -0.999 -1.462 205 HG2 PRO 24 HG2 PRO 24 14.431 0.545 -1.925 206 HG3 PRO 24 HG3 PRO 24 14.727 -1.193 -2.068 207 HD2 PRO 24 HD2 PRO 24 13.452 0.028 0.058 208 HD3 PRO 24 HD3 PRO 24 14.210 -1.577 0.105 209 H GLU 25 H GLU 25 17.078 2.166 1.931 210 HA GLU 25 HA GLU 25 16.166 4.564 0.428 211 HB2 GLU 25 HB2 GLU 25 15.786 3.693 2.980 212 HB3 GLU 25 HB3 GLU 25 17.184 4.742 3.215 213 HG2 GLU 25 HG2 GLU 25 15.520 6.323 3.419 214 HG3 GLU 25 HG3 GLU 25 15.729 6.377 1.669 215 H ARG 26 H ARG 26 17.855 5.129 -0.964 216 HA ARG 26 HA ARG 26 19.952 5.962 -1.639 217 HB2 ARG 26 HB2 ARG 26 19.053 7.387 0.450 218 HB3 ARG 26 HB3 ARG 26 20.514 6.740 1.194 219 HG2 ARG 26 HG2 ARG 26 21.173 8.798 0.188 220 HG3 ARG 26 HG3 ARG 26 21.760 7.536 -0.895 221 HD2 ARG 26 HD2 ARG 26 20.495 8.341 -2.593 222 HD3 ARG 26 HD3 ARG 26 19.033 8.279 -1.588 223 HE ARG 26 HE ARG 26 20.987 10.554 -1.515 224 HH11 ARG 26 HH11 ARG 26 19.064 10.288 0.784 225 HH12 ARG 26 HH12 ARG 26 17.753 11.299 0.276 226 HH21 ARG 26 HH21 ARG 26 18.768 11.386 -3.049 227 HH22 ARG 26 HH22 ARG 26 17.585 11.924 -1.904 Start of MODEL 33 1 HA ARG 1 HA ARG 1 -16.559 1.916 -6.131 2 HB2 ARG 1 HB2 ARG 1 -14.140 2.941 -5.218 3 HB3 ARG 1 HB3 ARG 1 -14.831 2.206 -3.771 4 HG2 ARG 1 HG2 ARG 1 -13.806 0.345 -4.672 5 HG3 ARG 1 HG3 ARG 1 -15.365 0.226 -5.485 6 HD2 ARG 1 HD2 ARG 1 -13.429 1.967 -6.881 7 HD3 ARG 1 HD3 ARG 1 -12.952 0.260 -6.800 8 HE ARG 1 HE ARG 1 -15.432 1.296 -8.070 9 HH11 ARG 1 HH11 ARG 1 -13.294 -0.461 -9.372 10 HH12 ARG 1 HH12 ARG 1 -14.100 -1.994 -9.409 11 HH21 ARG 1 HH21 ARG 1 -16.546 -1.057 -7.123 12 HH22 ARG 1 HH22 ARG 1 -15.947 -2.333 -8.129 13 H SER 2 H SER 2 -16.656 0.714 -3.612 14 HA SER 2 HA SER 2 -19.193 1.789 -2.560 15 HB2 SER 2 HB2 SER 2 -18.578 -0.652 -3.046 16 HB3 SER 2 HB3 SER 2 -17.589 -0.584 -1.589 17 HG SER 2 HG SER 2 -19.436 -0.093 -0.407 18 H ALA 3 H ALA 3 -16.151 2.774 -1.959 19 HA ALA 3 HA ALA 3 -15.266 4.094 -0.217 20 HB1 ALA 3 HB1 ALA 3 -16.753 4.930 1.338 21 HB2 ALA 3 HB2 ALA 3 -17.523 3.366 1.603 22 HB3 ALA 3 HB3 ALA 3 -17.901 4.301 0.157 23 H LEU 4 H LEU 4 -16.666 0.942 0.776 24 HA LEU 4 HA LEU 4 -14.381 0.616 2.681 25 HB2 LEU 4 HB2 LEU 4 -17.229 -0.062 2.626 26 HB3 LEU 4 HB3 LEU 4 -16.226 -1.439 3.077 27 HG LEU 4 HG LEU 4 -16.868 -0.163 5.074 28 HD11 LEU 4 HD11 LEU 4 -14.726 -0.050 6.063 29 HD12 LEU 4 HD12 LEU 4 -13.961 0.460 4.559 30 HD13 LEU 4 HD13 LEU 4 -14.518 -1.203 4.746 31 HD21 LEU 4 HD21 LEU 4 -16.395 2.139 5.356 32 HD22 LEU 4 HD22 LEU 4 -17.005 2.031 3.704 33 HD23 LEU 4 HD23 LEU 4 -15.271 2.163 3.996 34 H VAL 5 H VAL 5 -14.700 -0.014 -0.441 35 HA VAL 5 HA VAL 5 -13.754 -2.857 -0.268 36 HB VAL 5 HB VAL 5 -15.022 -1.257 -2.518 37 HG11 VAL 5 HG11 VAL 5 -15.063 -3.439 -3.720 38 HG12 VAL 5 HG12 VAL 5 -14.115 -4.152 -2.416 39 HG13 VAL 5 HG13 VAL 5 -13.418 -2.880 -3.418 40 HG21 VAL 5 HG21 VAL 5 -16.918 -2.778 -2.188 41 HG22 VAL 5 HG22 VAL 5 -16.547 -1.958 -0.672 42 HG23 VAL 5 HG23 VAL 5 -16.039 -3.628 -0.917 43 H ASN 6 H ASN 6 -13.113 0.289 -1.878 44 HA ASN 6 HA ASN 6 -10.578 -0.683 -3.009 45 HB2 ASN 6 HB2 ASN 6 -12.117 0.948 -4.120 46 HB3 ASN 6 HB3 ASN 6 -11.753 2.110 -2.843 47 HD21 ASN 6 HD21 ASN 6 -10.561 3.637 -4.117 48 HD22 ASN 6 HD22 ASN 6 -9.098 3.253 -4.886 49 H SER 7 H SER 7 -11.570 0.936 -0.047 50 HA SER 7 HA SER 7 -9.274 2.407 0.657 51 HB2 SER 7 HB2 SER 7 -11.488 2.115 1.895 52 HB3 SER 7 HB3 SER 7 -10.848 0.595 2.514 53 HG SER 7 HG SER 7 -9.141 1.767 3.445 54 H TYR 8 H TYR 8 -9.896 -1.064 1.350 55 HA TYR 8 HA TYR 8 -7.227 -1.582 2.361 56 HB2 TYR 8 HB2 TYR 8 -9.453 -2.834 2.738 57 HB3 TYR 8 HB3 TYR 8 -9.174 -3.567 1.158 58 HD1 TYR 8 HD1 TYR 8 -7.266 -5.080 0.783 59 HD2 TYR 8 HD2 TYR 8 -8.057 -3.382 4.649 60 HE1 TYR 8 HE1 TYR 8 -5.734 -6.730 1.822 61 HE2 TYR 8 HE2 TYR 8 -6.524 -5.030 5.687 62 HH TYR 8 HH TYR 8 -4.276 -6.594 4.271 63 H LEU 9 H LEU 9 -8.832 -2.047 -0.795 64 HA LEU 9 HA LEU 9 -6.740 -3.418 -2.159 65 HB2 LEU 9 HB2 LEU 9 -8.964 -1.539 -2.980 66 HB3 LEU 9 HB3 LEU 9 -7.919 -2.303 -4.172 67 HG LEU 9 HG LEU 9 -9.654 -3.727 -2.131 68 HD11 LEU 9 HD11 LEU 9 -11.000 -2.919 -3.944 69 HD12 LEU 9 HD12 LEU 9 -10.706 -4.628 -4.266 70 HD13 LEU 9 HD13 LEU 9 -9.792 -3.397 -5.137 71 HD21 LEU 9 HD21 LEU 9 -8.876 -5.740 -3.614 72 HD22 LEU 9 HD22 LEU 9 -7.790 -5.142 -2.361 73 HD23 LEU 9 HD23 LEU 9 -7.530 -4.684 -4.044 74 H TRP 10 H TRP 10 -7.279 0.062 -1.612 75 HA TRP 10 HA TRP 10 -5.123 0.956 -3.339 76 HB2 TRP 10 HB2 TRP 10 -7.028 2.370 -2.730 77 HB3 TRP 10 HB3 TRP 10 -6.621 2.231 -1.020 78 HD1 TRP 10 HD1 TRP 10 -4.369 3.044 -4.067 79 HE1 TRP 10 HE1 TRP 10 -3.099 5.228 -3.562 80 HE3 TRP 10 HE3 TRP 10 -6.392 4.217 0.476 81 HZ2 TRP 10 HZ2 TRP 10 -2.960 7.212 -1.510 82 HZ3 TRP 10 HZ3 TRP 10 -5.673 6.258 1.681 83 HH2 TRP 10 HH2 TRP 10 -3.961 7.757 0.694 84 H GLN 11 H GLN 11 -5.410 0.297 0.163 85 HA GLN 11 HA GLN 11 -2.833 1.240 0.955 86 HB2 GLN 11 HB2 GLN 11 -4.907 -0.661 1.976 87 HB3 GLN 11 HB3 GLN 11 -3.321 -0.688 2.746 88 HG2 GLN 11 HG2 GLN 11 -4.580 1.980 2.268 89 HG3 GLN 11 HG3 GLN 11 -5.240 0.984 3.566 90 HE21 GLN 11 HE21 GLN 11 -4.292 1.620 5.515 91 HE22 GLN 11 HE22 GLN 11 -2.650 1.995 5.720 92 H ARG 12 H ARG 12 -3.888 -1.960 -0.239 93 HA ARG 12 HA ARG 12 -1.528 -3.460 0.167 94 HB2 ARG 12 HB2 ARG 12 -3.971 -3.577 -1.350 95 HB3 ARG 12 HB3 ARG 12 -2.641 -4.109 -2.379 96 HG2 ARG 12 HG2 ARG 12 -1.908 -5.557 -0.369 97 HG3 ARG 12 HG3 ARG 12 -3.519 -5.244 0.278 98 HD2 ARG 12 HD2 ARG 12 -4.024 -7.148 -0.931 99 HD3 ARG 12 HD3 ARG 12 -4.176 -5.979 -2.258 100 HE ARG 12 HE ARG 12 -1.668 -7.521 -1.685 101 HH11 ARG 12 HH11 ARG 12 -3.291 -8.482 -3.950 102 HH12 ARG 12 HH12 ARG 12 -2.625 -7.629 -5.302 103 HH21 ARG 12 HH21 ARG 12 -1.025 -5.245 -3.340 104 HH22 ARG 12 HH22 ARG 12 -1.338 -5.788 -4.955 105 H TRP 13 H TRP 13 -2.340 -1.200 -2.461 106 HA TRP 13 HA TRP 13 -0.134 -1.655 -4.195 107 HB2 TRP 13 HB2 TRP 13 -2.350 -0.011 -4.030 108 HB3 TRP 13 HB3 TRP 13 -1.028 1.138 -3.857 109 HD1 TRP 13 HD1 TRP 13 -2.882 1.021 -6.415 110 HE1 TRP 13 HE1 TRP 13 -1.827 0.600 -8.733 111 HE3 TRP 13 HE3 TRP 13 1.511 -1.156 -4.999 112 HZ2 TRP 13 HZ2 TRP 13 0.567 -0.511 -9.833 113 HZ3 TRP 13 HZ3 TRP 13 3.157 -1.886 -6.698 114 HH2 TRP 13 HH2 TRP 13 2.693 -1.565 -9.110 115 H GLU 14 H GLU 14 -0.471 1.038 -1.856 116 HA GLU 14 HA GLU 14 2.290 1.816 -1.958 117 HB2 GLU 14 HB2 GLU 14 0.094 2.254 0.088 118 HB3 GLU 14 HB3 GLU 14 1.608 3.161 0.032 119 HG2 GLU 14 HG2 GLU 14 0.854 3.467 -2.532 120 HG3 GLU 14 HG3 GLU 14 -0.741 3.284 -1.801 121 H ASN 15 H ASN 15 0.509 -0.434 0.144 122 HA ASN 15 HA ASN 15 2.369 -0.827 2.227 123 HB2 ASN 15 HB2 ASN 15 0.018 -1.854 1.711 124 HB3 ASN 15 HB3 ASN 15 0.924 -3.101 0.856 125 HD21 ASN 15 HD21 ASN 15 2.961 -3.879 2.335 126 HD22 ASN 15 HD22 ASN 15 2.546 -4.225 3.944 127 H TRP 16 H TRP 16 2.265 -2.382 -1.002 128 HA TRP 16 HA TRP 16 4.702 -3.917 -0.631 129 HB2 TRP 16 HB2 TRP 16 3.163 -4.697 -2.259 130 HB3 TRP 16 HB3 TRP 16 2.934 -3.088 -2.938 131 HD1 TRP 16 HD1 TRP 16 5.338 -6.045 -2.961 132 HE1 TRP 16 HE1 TRP 16 6.995 -5.764 -4.915 133 HE3 TRP 16 HE3 TRP 16 4.111 -1.327 -4.485 134 HZ2 TRP 16 HZ2 TRP 16 7.707 -3.797 -6.865 135 HZ3 TRP 16 HZ3 TRP 16 5.296 -0.275 -6.390 136 HH2 TRP 16 HH2 TRP 16 7.091 -1.503 -7.581 137 H PHE 17 H PHE 17 3.923 -0.812 -2.220 138 HA PHE 17 HA PHE 17 6.480 -0.200 -3.290 139 HB2 PHE 17 HB2 PHE 17 4.341 0.980 -3.755 140 HB3 PHE 17 HB3 PHE 17 4.355 1.629 -2.116 141 HD1 PHE 17 HD1 PHE 17 6.370 1.502 -5.266 142 HD2 PHE 17 HD2 PHE 17 5.521 3.620 -1.625 143 HE1 PHE 17 HE1 PHE 17 7.813 3.373 -6.017 144 HE2 PHE 17 HE2 PHE 17 6.964 5.490 -2.378 145 HZ PHE 17 HZ PHE 17 8.110 5.368 -4.573 146 H TRP 18 H TRP 18 5.080 0.792 -0.133 147 HA TRP 18 HA TRP 18 7.463 2.050 0.857 148 HB2 TRP 18 HB2 TRP 18 5.068 0.768 2.214 149 HB3 TRP 18 HB3 TRP 18 6.259 1.754 3.060 150 HD1 TRP 18 HD1 TRP 18 3.003 2.275 2.116 151 HE1 TRP 18 HE1 TRP 18 2.503 4.631 1.196 152 HE3 TRP 18 HE3 TRP 18 7.745 3.816 0.994 153 HZ2 TRP 18 HZ2 TRP 18 3.922 6.869 0.129 154 HZ3 TRP 18 HZ3 TRP 18 8.138 6.062 0.029 155 HH2 TRP 18 HH2 TRP 18 6.236 7.589 -0.404 156 H ASN 19 H ASN 19 6.307 -1.310 0.964 157 HA ASN 19 HA ASN 19 8.244 -2.281 2.867 158 HB2 ASN 19 HB2 ASN 19 6.251 -3.332 0.947 159 HB3 ASN 19 HB3 ASN 19 7.574 -4.436 1.322 160 HD21 ASN 19 HD21 ASN 19 5.118 -2.359 2.954 161 HD22 ASN 19 HD22 ASN 19 5.003 -3.336 4.336 162 H VAL 20 H VAL 20 8.256 -2.162 -0.725 163 HA VAL 20 HA VAL 20 10.963 -3.355 -0.791 164 HB VAL 20 HB VAL 20 10.619 -3.277 -3.231 165 HG11 VAL 20 HG11 VAL 20 8.813 -4.837 -3.344 166 HG12 VAL 20 HG12 VAL 20 8.041 -4.154 -1.914 167 HG13 VAL 20 HG13 VAL 20 9.548 -5.057 -1.756 168 HG21 VAL 20 HG21 VAL 20 9.419 -1.501 -3.982 169 HG22 VAL 20 HG22 VAL 20 8.574 -1.308 -2.448 170 HG23 VAL 20 HG23 VAL 20 8.004 -2.490 -3.624 171 H THR 21 H THR 21 9.521 -0.143 -0.998 172 HA THR 21 HA THR 21 11.933 1.073 -2.165 173 HB THR 21 HB THR 21 9.386 2.219 -0.981 174 HG1 THR 21 HG1 THR 21 8.739 1.344 -2.799 175 HG21 THR 21 HG21 THR 21 10.182 4.186 -2.534 176 HG22 THR 21 HG22 THR 21 11.776 3.472 -2.293 177 HG23 THR 21 HG23 THR 21 10.844 4.034 -0.906 178 H LEU 22 H LEU 22 10.244 1.316 0.988 179 HA LEU 22 HA LEU 22 12.363 2.845 2.237 180 HB2 LEU 22 HB2 LEU 22 10.141 1.154 3.431 181 HB3 LEU 22 HB3 LEU 22 11.072 2.373 4.296 182 HG LEU 22 HG LEU 22 9.447 2.993 1.814 183 HD11 LEU 22 HD11 LEU 22 7.701 3.816 3.276 184 HD12 LEU 22 HD12 LEU 22 8.669 3.459 4.706 185 HD13 LEU 22 HD13 LEU 22 8.037 2.142 3.718 186 HD21 LEU 22 HD21 LEU 22 11.195 4.616 2.282 187 HD22 LEU 22 HD22 LEU 22 10.734 4.683 3.983 188 HD23 LEU 22 HD23 LEU 22 9.648 5.321 2.750 189 H ARG 23 H ARG 23 11.278 -0.487 2.936 190 HA ARG 23 HA ARG 23 12.467 -2.349 3.776 191 HB2 ARG 23 HB2 ARG 23 13.940 -1.081 1.547 192 HB3 ARG 23 HB3 ARG 23 14.891 -2.201 2.516 193 HG2 ARG 23 HG2 ARG 23 12.545 -3.595 2.211 194 HG3 ARG 23 HG3 ARG 23 12.660 -2.744 0.671 195 HD2 ARG 23 HD2 ARG 23 14.828 -4.492 1.894 196 HD3 ARG 23 HD3 ARG 23 13.825 -4.900 0.490 197 HE ARG 23 HE ARG 23 15.707 -2.563 0.533 198 HH11 ARG 23 HH11 ARG 23 13.591 -2.732 -1.634 199 HH12 ARG 23 HH12 ARG 23 14.472 -3.496 -2.916 200 HH21 ARG 23 HH21 ARG 23 17.049 -4.583 -0.843 201 HH22 ARG 23 HH22 ARG 23 16.446 -4.547 -2.468 202 HA PRO 24 HA PRO 24 14.969 0.182 6.752 203 HB2 PRO 24 HB2 PRO 24 13.556 -0.468 9.003 204 HB3 PRO 24 HB3 PRO 24 13.120 0.891 7.950 205 HG2 PRO 24 HG2 PRO 24 11.889 -1.793 8.177 206 HG3 PRO 24 HG3 PRO 24 11.143 -0.233 7.805 207 HD2 PRO 24 HD2 PRO 24 11.759 -2.201 5.951 208 HD3 PRO 24 HD3 PRO 24 11.461 -0.490 5.576 209 H GLU 25 H GLU 25 15.875 -2.199 5.707 210 HA GLU 25 HA GLU 25 17.165 -3.495 7.970 211 HB2 GLU 25 HB2 GLU 25 14.595 -4.407 7.142 212 HB3 GLU 25 HB3 GLU 25 15.763 -5.618 6.611 213 HG2 GLU 25 HG2 GLU 25 15.743 -4.485 9.419 214 HG3 GLU 25 HG3 GLU 25 14.853 -5.940 8.968 215 H ARG 26 H ARG 26 16.142 -4.162 4.586 216 HA ARG 26 HA ARG 26 19.018 -4.490 3.845 217 HB2 ARG 26 HB2 ARG 26 18.324 -6.566 2.595 218 HB3 ARG 26 HB3 ARG 26 18.155 -6.710 4.343 219 HG2 ARG 26 HG2 ARG 26 15.885 -6.859 4.239 220 HG3 ARG 26 HG3 ARG 26 15.769 -5.642 2.968 221 HD2 ARG 26 HD2 ARG 26 16.862 -7.541 1.473 222 HD3 ARG 26 HD3 ARG 26 16.171 -8.606 2.714 223 HE ARG 26 HE ARG 26 14.643 -6.991 0.809 224 HH11 ARG 26 HH11 ARG 26 13.764 -9.690 1.685 225 HH12 ARG 26 HH12 ARG 26 12.469 -9.333 2.778 226 HH21 ARG 26 HH21 ARG 26 13.380 -6.003 3.186 227 HH22 ARG 26 HH22 ARG 26 12.252 -7.238 3.633 Start of MODEL 34 1 HA ARG 1 HA ARG 1 -18.768 -0.191 -4.206 2 HB2 ARG 1 HB2 ARG 1 -19.731 2.153 -5.022 3 HB3 ARG 1 HB3 ARG 1 -19.868 2.446 -3.288 4 HG2 ARG 1 HG2 ARG 1 -17.561 2.311 -2.945 5 HG3 ARG 1 HG3 ARG 1 -17.300 1.353 -4.404 6 HD2 ARG 1 HD2 ARG 1 -17.743 3.297 -5.819 7 HD3 ARG 1 HD3 ARG 1 -18.145 4.275 -4.394 8 HE ARG 1 HE ARG 1 -15.425 3.159 -4.962 9 HH11 ARG 1 HH11 ARG 1 -15.703 6.058 -5.249 10 HH12 ARG 1 HH12 ARG 1 -15.277 6.663 -3.682 11 HH21 ARG 1 HH21 ARG 1 -15.698 3.597 -2.098 12 HH22 ARG 1 HH22 ARG 1 -15.281 5.265 -1.890 13 H SER 2 H SER 2 -18.088 -0.946 -2.226 14 HA SER 2 HA SER 2 -20.015 -0.893 0.047 15 HB2 SER 2 HB2 SER 2 -18.744 -2.941 -1.012 16 HB3 SER 2 HB3 SER 2 -17.395 -2.369 -0.032 17 HG SER 2 HG SER 2 -18.601 -2.670 1.789 18 H ALA 3 H ALA 3 -17.434 0.968 -1.010 19 HA ALA 3 HA ALA 3 -16.037 2.541 0.044 20 HB1 ALA 3 HB1 ALA 3 -16.995 3.570 1.962 21 HB2 ALA 3 HB2 ALA 3 -17.766 2.070 2.477 22 HB3 ALA 3 HB3 ALA 3 -18.372 2.932 1.063 23 H LEU 4 H LEU 4 -15.882 -0.635 0.736 24 HA LEU 4 HA LEU 4 -13.697 -0.261 2.746 25 HB2 LEU 4 HB2 LEU 4 -16.032 -2.162 2.666 26 HB3 LEU 4 HB3 LEU 4 -14.564 -2.595 3.543 27 HG LEU 4 HG LEU 4 -15.812 0.099 4.005 28 HD11 LEU 4 HD11 LEU 4 -17.152 -0.915 5.844 29 HD12 LEU 4 HD12 LEU 4 -16.694 -2.516 5.265 30 HD13 LEU 4 HD13 LEU 4 -17.679 -1.459 4.252 31 HD21 LEU 4 HD21 LEU 4 -14.790 -0.207 6.214 32 HD22 LEU 4 HD22 LEU 4 -13.586 -0.494 4.958 33 HD23 LEU 4 HD23 LEU 4 -14.330 -1.857 5.794 34 H VAL 5 H VAL 5 -14.346 -1.173 -0.368 35 HA VAL 5 HA VAL 5 -12.506 -3.517 -0.403 36 HB VAL 5 HB VAL 5 -14.145 -2.202 -2.603 37 HG11 VAL 5 HG11 VAL 5 -12.886 -4.958 -2.405 38 HG12 VAL 5 HG12 VAL 5 -12.274 -3.627 -3.389 39 HG13 VAL 5 HG13 VAL 5 -13.839 -4.352 -3.761 40 HG21 VAL 5 HG21 VAL 5 -15.706 -2.968 -0.957 41 HG22 VAL 5 HG22 VAL 5 -14.782 -4.443 -0.666 42 HG23 VAL 5 HG23 VAL 5 -15.651 -4.233 -2.185 43 H ASN 6 H ASN 6 -12.936 -0.397 -2.120 44 HA ASN 6 HA ASN 6 -10.397 -0.363 -3.439 45 HB2 ASN 6 HB2 ASN 6 -12.679 1.393 -2.918 46 HB3 ASN 6 HB3 ASN 6 -11.160 2.288 -2.952 47 HD21 ASN 6 HD21 ASN 6 -11.280 3.235 -5.044 48 HD22 ASN 6 HD22 ASN 6 -11.408 2.329 -6.473 49 H SER 7 H SER 7 -11.415 0.974 -0.268 50 HA SER 7 HA SER 7 -9.016 2.341 0.409 51 HB2 SER 7 HB2 SER 7 -9.845 1.760 2.790 52 HB3 SER 7 HB3 SER 7 -10.957 2.646 1.753 53 HG SER 7 HG SER 7 -12.098 0.957 2.594 54 H TYR 8 H TYR 8 -9.979 -1.029 1.171 55 HA TYR 8 HA TYR 8 -7.509 -1.821 2.396 56 HB2 TYR 8 HB2 TYR 8 -9.328 -3.231 2.794 57 HB3 TYR 8 HB3 TYR 8 -9.907 -3.119 1.134 58 HD1 TYR 8 HD1 TYR 8 -6.706 -4.194 2.797 59 HD2 TYR 8 HD2 TYR 8 -9.808 -5.126 -0.023 60 HE1 TYR 8 HE2 TYR 8 -5.572 -6.332 2.259 61 HE2 TYR 8 HE1 TYR 8 -8.674 -7.265 -0.562 62 HH TYR 8 HH TYR 8 -6.014 -8.037 -0.354 63 H LEU 9 H LEU 9 -8.697 -2.097 -0.963 64 HA LEU 9 HA LEU 9 -6.430 -3.436 -2.083 65 HB2 LEU 9 HB2 LEU 9 -8.832 -1.956 -2.933 66 HB3 LEU 9 HB3 LEU 9 -7.510 -1.861 -4.091 67 HG LEU 9 HG LEU 9 -7.403 -4.237 -4.317 68 HD11 LEU 9 HD11 LEU 9 -9.154 -4.264 -1.852 69 HD12 LEU 9 HD12 LEU 9 -7.568 -5.007 -2.067 70 HD13 LEU 9 HD13 LEU 9 -8.976 -5.678 -2.891 71 HD21 LEU 9 HD21 LEU 9 -9.736 -4.829 -4.935 72 HD22 LEU 9 HD22 LEU 9 -9.290 -3.221 -5.509 73 HD23 LEU 9 HD23 LEU 9 -10.307 -3.396 -4.079 74 H TRP 10 H TRP 10 -7.206 0.055 -1.854 75 HA TRP 10 HA TRP 10 -4.880 1.043 -3.194 76 HB2 TRP 10 HB2 TRP 10 -6.644 2.563 -2.878 77 HB3 TRP 10 HB3 TRP 10 -6.891 2.076 -1.203 78 HD1 TRP 10 HD1 TRP 10 -4.392 4.046 -3.377 79 HE1 TRP 10 HE1 TRP 10 -3.185 5.758 -1.872 80 HE3 TRP 10 HE3 TRP 10 -6.313 2.738 1.168 81 HZ2 TRP 10 HZ2 TRP 10 -3.057 6.479 0.893 82 HZ3 TRP 10 HZ3 TRP 10 -5.634 3.950 3.218 83 HH2 TRP 10 HH2 TRP 10 -4.009 5.818 3.087 84 H GLN 11 H GLN 11 -5.514 0.583 0.316 85 HA GLN 11 HA GLN 11 -3.017 1.449 1.322 86 HB2 GLN 11 HB2 GLN 11 -5.132 0.813 2.565 87 HB3 GLN 11 HB3 GLN 11 -4.693 -0.877 2.319 88 HG2 GLN 11 HG2 GLN 11 -3.843 -0.344 4.472 89 HG3 GLN 11 HG3 GLN 11 -2.438 -0.277 3.409 90 HE21 GLN 11 HE21 GLN 11 -1.220 1.619 3.575 91 HE22 GLN 11 HE22 GLN 11 -1.800 3.098 4.173 92 H ARG 12 H ARG 12 -3.936 -1.699 -0.064 93 HA ARG 12 HA ARG 12 -1.490 -3.086 0.608 94 HB2 ARG 12 HB2 ARG 12 -3.984 -3.680 -0.445 95 HB3 ARG 12 HB3 ARG 12 -2.915 -3.926 -1.826 96 HG2 ARG 12 HG2 ARG 12 -3.020 -6.020 -0.656 97 HG3 ARG 12 HG3 ARG 12 -1.441 -5.321 -0.301 98 HD2 ARG 12 HD2 ARG 12 -3.179 -4.282 1.673 99 HD3 ARG 12 HD3 ARG 12 -3.558 -6.012 1.551 100 HE ARG 12 HE ARG 12 -0.738 -5.031 1.841 101 HH11 ARG 12 HH11 ARG 12 -1.708 -7.966 1.355 102 HH12 ARG 12 HH12 ARG 12 -1.507 -8.612 2.949 103 HH21 ARG 12 HH21 ARG 12 -1.183 -5.493 4.453 104 HH22 ARG 12 HH22 ARG 12 -1.210 -7.205 4.711 105 H TRP 13 H TRP 13 -2.524 -1.173 -2.222 106 HA TRP 13 HA TRP 13 -0.336 -1.801 -3.950 107 HB2 TRP 13 HB2 TRP 13 -1.611 -0.472 -5.268 108 HB3 TRP 13 HB3 TRP 13 -2.631 -0.132 -3.879 109 HD1 TRP 13 HD1 TRP 13 -2.811 2.314 -3.253 110 HE1 TRP 13 HE1 TRP 13 -1.430 4.446 -3.684 111 HE3 TRP 13 HE3 TRP 13 1.182 0.299 -5.721 112 HZ2 TRP 13 HZ2 TRP 13 1.040 5.198 -4.912 113 HZ3 TRP 13 HZ3 TRP 13 3.030 1.746 -6.511 114 HH2 TRP 13 HH2 TRP 13 2.966 4.191 -6.109 115 H GLU 14 H GLU 14 -0.720 0.819 -1.539 116 HA GLU 14 HA GLU 14 1.962 1.876 -1.946 117 HB2 GLU 14 HB2 GLU 14 -0.411 2.326 -0.250 118 HB3 GLU 14 HB3 GLU 14 1.118 2.703 0.545 119 HG2 GLU 14 HG2 GLU 14 1.754 4.070 -1.464 120 HG3 GLU 14 HG3 GLU 14 0.132 3.800 -2.100 121 H ASN 15 H ASN 15 0.472 -0.465 0.282 122 HA ASN 15 HA ASN 15 2.506 -0.803 2.198 123 HB2 ASN 15 HB2 ASN 15 0.130 -1.976 1.615 124 HB3 ASN 15 HB3 ASN 15 1.226 -3.247 1.078 125 HD21 ASN 15 HD21 ASN 15 3.329 -2.899 3.014 126 HD22 ASN 15 HD22 ASN 15 2.706 -3.288 4.545 127 H TRP 16 H TRP 16 2.218 -2.393 -1.008 128 HA TRP 16 HA TRP 16 4.697 -3.871 -0.798 129 HB2 TRP 16 HB2 TRP 16 3.190 -4.697 -2.386 130 HB3 TRP 16 HB3 TRP 16 2.734 -3.086 -2.938 131 HD1 TRP 16 HD1 TRP 16 5.687 -5.559 -3.142 132 HE1 TRP 16 HE1 TRP 16 7.007 -5.068 -5.301 133 HE3 TRP 16 HE3 TRP 16 3.194 -1.412 -4.776 134 HZ2 TRP 16 HZ2 TRP 16 7.007 -3.167 -7.437 135 HZ3 TRP 16 HZ3 TRP 16 3.875 -0.281 -6.872 136 HH2 TRP 16 HH2 TRP 16 5.777 -1.152 -8.204 137 H PHE 17 H PHE 17 3.814 -0.802 -2.421 138 HA PHE 17 HA PHE 17 6.323 -0.122 -3.537 139 HB2 PHE 17 HB2 PHE 17 3.982 0.963 -3.714 140 HB3 PHE 17 HB3 PHE 17 4.404 1.824 -2.234 141 HD1 PHE 17 HD1 PHE 17 5.214 1.366 -5.807 142 HD2 PHE 17 HD2 PHE 17 6.118 3.548 -2.218 143 HE1 PHE 17 HE2 PHE 17 6.499 3.020 -7.136 144 HE2 PHE 17 HE1 PHE 17 7.402 5.201 -3.547 145 HZ PHE 17 HZ PHE 17 7.593 4.938 -6.006 146 H TRP 18 H TRP 18 5.045 0.502 -0.261 147 HA TRP 18 HA TRP 18 7.447 1.886 0.657 148 HB2 TRP 18 HB2 TRP 18 5.018 0.697 2.031 149 HB3 TRP 18 HB3 TRP 18 6.237 1.658 2.864 150 HD1 TRP 18 HD1 TRP 18 3.011 2.292 2.026 151 HE1 TRP 18 HE1 TRP 18 2.554 4.635 1.055 152 HE3 TRP 18 HE3 TRP 18 7.751 3.615 0.638 153 HZ2 TRP 18 HZ2 TRP 18 4.003 6.782 -0.149 154 HZ3 TRP 18 HZ3 TRP 18 8.179 5.815 -0.417 155 HH2 TRP 18 HH2 TRP 18 6.313 7.399 -0.811 156 H ASN 19 H ASN 19 6.285 -1.442 0.643 157 HA ASN 19 HA ASN 19 7.987 -2.530 2.677 158 HB2 ASN 19 HB2 ASN 19 5.934 -3.509 1.497 159 HB3 ASN 19 HB3 ASN 19 7.015 -3.911 0.164 160 HD21 ASN 19 HD21 ASN 19 6.037 -4.820 3.402 161 HD22 ASN 19 HD22 ASN 19 7.063 -6.166 3.539 162 H VAL 20 H VAL 20 8.458 -2.224 -0.869 163 HA VAL 20 HA VAL 20 11.116 -3.451 -0.764 164 HB VAL 20 HB VAL 20 11.121 -2.805 -3.187 165 HG11 VAL 20 HG11 VAL 20 9.487 -4.397 -3.814 166 HG12 VAL 20 HG12 VAL 20 8.450 -3.998 -2.444 167 HG13 VAL 20 HG13 VAL 20 9.958 -4.874 -2.183 168 HG21 VAL 20 HG21 VAL 20 9.736 -1.217 -3.993 169 HG22 VAL 20 HG22 VAL 20 9.265 -0.869 -2.329 170 HG23 VAL 20 HG23 VAL 20 8.328 -2.012 -3.291 171 H THR 21 H THR 21 9.923 -0.209 -0.315 172 HA THR 21 HA THR 21 12.563 0.991 -0.970 173 HB THR 21 HB THR 21 11.238 3.113 -0.400 174 HG1 THR 21 HG1 THR 21 8.924 1.611 -0.737 175 HG21 THR 21 HG21 THR 21 9.688 2.674 -2.507 176 HG22 THR 21 HG22 THR 21 10.667 1.213 -2.641 177 HG23 THR 21 HG23 THR 21 11.439 2.799 -2.683 178 H LEU 22 H LEU 22 10.274 1.064 1.777 179 HA LEU 22 HA LEU 22 12.291 2.068 3.630 180 HB2 LEU 22 HB2 LEU 22 9.510 0.912 3.992 181 HB3 LEU 22 HB3 LEU 22 10.428 1.710 5.267 182 HG LEU 22 HG LEU 22 10.122 3.189 2.694 183 HD11 LEU 22 HD11 LEU 22 7.901 3.492 4.652 184 HD12 LEU 22 HD12 LEU 22 7.859 2.057 3.628 185 HD13 LEU 22 HD13 LEU 22 7.886 3.661 2.896 186 HD21 LEU 22 HD21 LEU 22 11.395 4.096 4.619 187 HD22 LEU 22 HD22 LEU 22 9.950 3.976 5.622 188 HD23 LEU 22 HD23 LEU 22 9.985 5.092 4.257 189 H ARG 23 H ARG 23 11.050 -1.106 2.749 190 HA ARG 23 HA ARG 23 11.734 -3.274 3.373 191 HB2 ARG 23 HB2 ARG 23 13.952 -1.695 3.050 192 HB3 ARG 23 HB3 ARG 23 14.189 -2.273 4.698 193 HG2 ARG 23 HG2 ARG 23 15.226 -3.929 3.369 194 HG3 ARG 23 HG3 ARG 23 13.647 -4.618 3.745 195 HD2 ARG 23 HD2 ARG 23 13.716 -4.959 1.434 196 HD3 ARG 23 HD3 ARG 23 12.952 -3.358 1.488 197 HE ARG 23 HE ARG 23 15.561 -2.642 1.475 198 HH11 ARG 23 HH11 ARG 23 14.015 -2.521 -1.083 199 HH12 ARG 23 HH12 ARG 23 14.966 -3.517 -2.136 200 HH21 ARG 23 HH21 ARG 23 16.733 -5.019 0.455 201 HH22 ARG 23 HH22 ARG 23 16.514 -4.936 -1.260 202 HA PRO 24 HA PRO 24 10.257 -2.553 7.670 203 HB2 PRO 24 HB2 PRO 24 8.408 -4.575 7.618 204 HB3 PRO 24 HB3 PRO 24 8.074 -2.936 7.023 205 HG2 PRO 24 HG2 PRO 24 8.767 -5.398 5.499 206 HG3 PRO 24 HG3 PRO 24 7.605 -4.120 5.111 207 HD2 PRO 24 HD2 PRO 24 10.064 -4.289 3.966 208 HD3 PRO 24 HD3 PRO 24 9.210 -2.751 4.213 209 H GLU 25 H GLU 25 10.183 -4.190 9.519 210 HA GLU 25 HA GLU 25 12.366 -6.197 9.161 211 HB2 GLU 25 HB2 GLU 25 11.125 -4.800 11.554 212 HB3 GLU 25 HB3 GLU 25 12.383 -6.028 11.692 213 HG2 GLU 25 HG2 GLU 25 13.860 -4.640 10.245 214 HG3 GLU 25 HG3 GLU 25 12.614 -3.393 10.202 215 H ARG 26 H ARG 26 9.192 -5.906 10.838 216 HA ARG 26 HA ARG 26 9.000 -8.824 11.172 217 HB2 ARG 26 HB2 ARG 26 7.279 -6.418 11.811 218 HB3 ARG 26 HB3 ARG 26 6.705 -8.062 12.088 219 HG2 ARG 26 HG2 ARG 26 7.790 -8.037 14.063 220 HG3 ARG 26 HG3 ARG 26 9.307 -7.990 13.166 221 HD2 ARG 26 HD2 ARG 26 9.378 -6.078 14.606 222 HD3 ARG 26 HD3 ARG 26 8.922 -5.429 13.019 223 HE ARG 26 HE ARG 26 6.558 -5.442 13.783 224 HH11 ARG 26 HH11 ARG 26 7.895 -3.564 15.642 225 HH12 ARG 26 HH12 ARG 26 7.416 -4.156 17.197 226 HH21 ARG 26 HH21 ARG 26 6.428 -7.265 15.994 227 HH22 ARG 26 HH22 ARG 26 6.581 -6.262 17.398 Start of MODEL 35 1 HA ARG 1 HA ARG 1 -18.643 4.560 -1.498 2 HB2 ARG 1 HB2 ARG 1 -20.853 5.501 -0.619 3 HB3 ARG 1 HB3 ARG 1 -20.817 4.215 0.589 4 HG2 ARG 1 HG2 ARG 1 -18.583 5.025 1.339 5 HG3 ARG 1 HG3 ARG 1 -18.703 6.354 0.186 6 HD2 ARG 1 HD2 ARG 1 -21.135 6.335 1.677 7 HD3 ARG 1 HD3 ARG 1 -19.799 6.216 2.839 8 HE ARG 1 HE ARG 1 -20.067 8.372 0.782 9 HH11 ARG 1 HH11 ARG 1 -17.241 7.912 1.521 10 HH12 ARG 1 HH12 ARG 1 -17.024 8.950 2.890 11 HH21 ARG 1 HH21 ARG 1 -20.431 9.330 3.469 12 HH22 ARG 1 HH22 ARG 1 -18.838 9.756 3.998 13 H SER 2 H SER 2 -17.397 2.528 -1.695 14 HA SER 2 HA SER 2 -17.784 0.384 0.266 15 HB2 SER 2 HB2 SER 2 -16.026 1.034 -2.043 16 HB3 SER 2 HB3 SER 2 -15.361 -0.076 -0.849 17 HG SER 2 HG SER 2 -16.532 -1.225 -2.397 18 H ALA 3 H ALA 3 -16.586 0.052 2.144 19 HA ALA 3 HA ALA 3 -14.747 2.274 2.964 20 HB1 ALA 3 HB1 ALA 3 -15.439 1.679 5.233 21 HB2 ALA 3 HB2 ALA 3 -16.313 0.273 4.625 22 HB3 ALA 3 HB3 ALA 3 -16.871 1.899 4.228 23 H LEU 4 H LEU 4 -15.110 -1.284 2.922 24 HA LEU 4 HA LEU 4 -12.235 -1.529 3.734 25 HB2 LEU 4 HB2 LEU 4 -14.742 -3.080 4.166 26 HB3 LEU 4 HB3 LEU 4 -13.254 -4.013 4.009 27 HG LEU 4 HG LEU 4 -12.334 -2.174 5.698 28 HD11 LEU 4 HD11 LEU 4 -15.329 -2.225 6.166 29 HD12 LEU 4 HD12 LEU 4 -14.333 -0.815 5.803 30 HD13 LEU 4 HD13 LEU 4 -14.163 -1.639 7.352 31 HD21 LEU 4 HD21 LEU 4 -12.350 -4.560 6.174 32 HD22 LEU 4 HD22 LEU 4 -14.093 -4.534 6.435 33 HD23 LEU 4 HD23 LEU 4 -13.020 -3.709 7.566 34 H VAL 5 H VAL 5 -13.682 -1.209 0.913 35 HA VAL 5 HA VAL 5 -12.450 -3.611 -0.390 36 HB VAL 5 HB VAL 5 -14.569 -1.616 -1.264 37 HG11 VAL 5 HG11 VAL 5 -14.828 -3.099 -3.250 38 HG12 VAL 5 HG12 VAL 5 -13.406 -4.003 -2.730 39 HG13 VAL 5 HG13 VAL 5 -13.249 -2.312 -3.205 40 HG21 VAL 5 HG21 VAL 5 -16.001 -3.688 -1.243 41 HG22 VAL 5 HG22 VAL 5 -15.407 -3.224 0.352 42 HG23 VAL 5 HG23 VAL 5 -14.647 -4.557 -0.519 43 H ASN 6 H ASN 6 -12.903 -0.087 -0.952 44 HA ASN 6 HA ASN 6 -10.733 0.079 -2.882 45 HB2 ASN 6 HB2 ASN 6 -12.902 1.586 -2.227 46 HB3 ASN 6 HB3 ASN 6 -11.639 2.488 -1.389 47 HD21 ASN 6 HD21 ASN 6 -9.862 3.386 -2.726 48 HD22 ASN 6 HD22 ASN 6 -10.064 3.586 -4.400 49 H SER 7 H SER 7 -11.063 0.888 0.597 50 HA SER 7 HA SER 7 -8.490 2.039 1.014 51 HB2 SER 7 HB2 SER 7 -10.341 0.380 2.754 52 HB3 SER 7 HB3 SER 7 -8.899 1.171 3.382 53 HG SER 7 HG SER 7 -10.885 2.409 3.548 54 H TYR 8 H TYR 8 -9.569 -1.364 1.154 55 HA TYR 8 HA TYR 8 -7.013 -2.504 1.852 56 HB2 TYR 8 HB2 TYR 8 -8.898 -3.845 2.255 57 HB3 TYR 8 HB3 TYR 8 -9.648 -3.422 0.718 58 HD1 TYR 8 HD1 TYR 8 -6.729 -5.261 2.171 59 HD2 TYR 8 HD2 TYR 8 -9.429 -4.841 -1.143 60 HE1 TYR 8 HE2 TYR 8 -5.785 -7.309 1.140 61 HE2 TYR 8 HE1 TYR 8 -8.485 -6.889 -2.173 62 HH TYR 8 HH TYR 8 -7.025 -9.125 -0.812 63 H LEU 9 H LEU 9 -8.640 -1.828 -1.247 64 HA LEU 9 HA LEU 9 -6.684 -3.104 -2.947 65 HB2 LEU 9 HB2 LEU 9 -9.133 -1.573 -3.119 66 HB3 LEU 9 HB3 LEU 9 -7.978 -0.963 -4.297 67 HG LEU 9 HG LEU 9 -9.304 -2.753 -5.300 68 HD11 LEU 9 HD11 LEU 9 -6.779 -2.524 -5.730 69 HD12 LEU 9 HD12 LEU 9 -7.527 -4.057 -6.178 70 HD13 LEU 9 HD13 LEU 9 -6.592 -3.934 -4.688 71 HD21 LEU 9 HD21 LEU 9 -9.676 -4.816 -4.323 72 HD22 LEU 9 HD22 LEU 9 -9.529 -3.828 -2.870 73 HD23 LEU 9 HD23 LEU 9 -8.157 -4.784 -3.428 74 H TRP 10 H TRP 10 -7.109 0.253 -1.805 75 HA TRP 10 HA TRP 10 -4.835 1.296 -3.297 76 HB2 TRP 10 HB2 TRP 10 -6.587 2.805 -2.766 77 HB3 TRP 10 HB3 TRP 10 -6.668 2.256 -1.093 78 HD1 TRP 10 HD1 TRP 10 -3.810 3.696 -3.295 79 HE1 TRP 10 HE1 TRP 10 -2.595 5.515 -1.928 80 HE3 TRP 10 HE3 TRP 10 -6.567 3.561 1.004 81 HZ2 TRP 10 HZ2 TRP 10 -2.773 6.750 0.643 82 HZ3 TRP 10 HZ3 TRP 10 -6.022 5.069 2.894 83 HH2 TRP 10 HH2 TRP 10 -4.130 6.661 2.719 84 H GLN 11 H GLN 11 -5.377 0.352 0.122 85 HA GLN 11 HA GLN 11 -2.874 1.122 1.194 86 HB2 GLN 11 HB2 GLN 11 -4.722 0.388 2.573 87 HB3 GLN 11 HB3 GLN 11 -4.735 -1.198 1.801 88 HG2 GLN 11 HG2 GLN 11 -3.153 -1.970 3.207 89 HG3 GLN 11 HG3 GLN 11 -2.096 -0.604 2.849 90 HE21 GLN 11 HE21 GLN 11 -2.837 1.545 4.010 91 HE22 GLN 11 HE22 GLN 11 -3.384 1.370 5.608 92 H ARG 12 H ARG 12 -3.751 -2.166 0.007 93 HA ARG 12 HA ARG 12 -1.242 -3.406 0.216 94 HB2 ARG 12 HB2 ARG 12 -3.765 -3.830 -1.048 95 HB3 ARG 12 HB3 ARG 12 -2.513 -4.190 -2.237 96 HG2 ARG 12 HG2 ARG 12 -1.540 -5.860 -0.896 97 HG3 ARG 12 HG3 ARG 12 -2.298 -5.249 0.575 98 HD2 ARG 12 HD2 ARG 12 -3.708 -7.045 0.157 99 HD3 ARG 12 HD3 ARG 12 -4.530 -5.822 -0.832 100 HE ARG 12 HE ARG 12 -2.731 -7.951 -1.865 101 HH11 ARG 12 HH11 ARG 12 -5.592 -7.406 -2.770 102 HH12 ARG 12 HH12 ARG 12 -5.321 -6.636 -4.298 103 HH21 ARG 12 HH21 ARG 12 -1.965 -5.979 -3.666 104 HH22 ARG 12 HH22 ARG 12 -3.260 -5.816 -4.803 105 H TRP 13 H TRP 13 -2.421 -1.286 -2.389 106 HA TRP 13 HA TRP 13 -0.347 -1.619 -4.291 107 HB2 TRP 13 HB2 TRP 13 -2.596 0.005 -3.836 108 HB3 TRP 13 HB3 TRP 13 -1.256 1.137 -3.989 109 HD1 TRP 13 HD1 TRP 13 -3.581 0.743 -6.157 110 HE1 TRP 13 HE1 TRP 13 -2.926 0.150 -8.582 111 HE3 TRP 13 HE3 TRP 13 1.099 -1.132 -5.369 112 HZ2 TRP 13 HZ2 TRP 13 -0.705 -0.969 -9.996 113 HZ3 TRP 13 HZ3 TRP 13 2.462 -1.952 -7.268 114 HH2 TRP 13 HH2 TRP 13 1.569 -1.871 -9.578 115 H GLU 14 H GLU 14 -0.608 1.023 -1.888 116 HA GLU 14 HA GLU 14 2.158 1.849 -2.242 117 HB2 GLU 14 HB2 GLU 14 -0.034 2.506 -0.252 118 HB3 GLU 14 HB3 GLU 14 1.504 3.369 -0.340 119 HG2 GLU 14 HG2 GLU 14 0.782 3.451 -2.953 120 HG3 GLU 14 HG3 GLU 14 -0.814 3.440 -2.199 121 H ASN 15 H ASN 15 0.400 -0.092 0.176 122 HA ASN 15 HA ASN 15 2.318 -0.272 2.229 123 HB2 ASN 15 HB2 ASN 15 0.140 -1.248 2.476 124 HB3 ASN 15 HB3 ASN 15 0.353 -2.252 1.044 125 HD21 ASN 15 HD21 ASN 15 2.652 -1.749 3.783 126 HD22 ASN 15 HD22 ASN 15 2.702 -3.385 4.227 127 H TRP 16 H TRP 16 2.045 -2.338 -0.702 128 HA TRP 16 HA TRP 16 4.449 -3.854 -0.181 129 HB2 TRP 16 HB2 TRP 16 2.935 -4.833 -1.690 130 HB3 TRP 16 HB3 TRP 16 2.627 -3.309 -2.520 131 HD1 TRP 16 HD1 TRP 16 5.322 -6.033 -2.191 132 HE1 TRP 16 HE1 TRP 16 6.825 -5.954 -4.283 133 HE3 TRP 16 HE3 TRP 16 3.411 -1.893 -4.499 134 HZ2 TRP 16 HZ2 TRP 16 7.170 -4.356 -6.625 135 HZ3 TRP 16 HZ3 TRP 16 4.349 -1.117 -6.657 136 HH2 TRP 16 HH2 TRP 16 6.225 -2.342 -7.722 137 H PHE 17 H PHE 17 3.763 -1.006 -2.243 138 HA PHE 17 HA PHE 17 6.319 -0.622 -3.381 139 HB2 PHE 17 HB2 PHE 17 4.456 0.651 -4.154 140 HB3 PHE 17 HB3 PHE 17 4.072 1.219 -2.531 141 HD1 PHE 17 HD1 PHE 17 6.960 1.256 -4.940 142 HD2 PHE 17 HD2 PHE 17 4.703 3.385 -1.969 143 HE1 PHE 17 HE1 PHE 17 8.382 3.255 -5.293 144 HE2 PHE 17 HE2 PHE 17 6.124 5.384 -2.325 145 HZ PHE 17 HZ PHE 17 7.964 5.320 -3.985 146 H TRP 18 H TRP 18 5.023 0.846 -0.366 147 HA TRP 18 HA TRP 18 7.489 2.104 0.414 148 HB2 TRP 18 HB2 TRP 18 4.993 1.199 1.879 149 HB3 TRP 18 HB3 TRP 18 6.279 2.101 2.677 150 HD1 TRP 18 HD1 TRP 18 3.110 2.767 1.250 151 HE1 TRP 18 HE1 TRP 18 2.916 5.148 0.278 152 HE3 TRP 18 HE3 TRP 18 8.053 4.020 1.004 153 HZ2 TRP 18 HZ2 TRP 18 4.635 7.300 -0.495 154 HZ3 TRP 18 HZ3 TRP 18 8.748 6.237 0.148 155 HH2 TRP 18 HH2 TRP 18 7.046 7.879 -0.600 156 H ASN 19 H ASN 19 6.061 -1.079 1.176 157 HA ASN 19 HA ASN 19 8.042 -1.906 3.093 158 HB2 ASN 19 HB2 ASN 19 5.690 -2.818 2.522 159 HB3 ASN 19 HB3 ASN 19 6.492 -3.712 1.232 160 HD21 ASN 19 HD21 ASN 19 7.062 -5.791 1.880 161 HD22 ASN 19 HD22 ASN 19 7.500 -6.235 3.458 162 H VAL 20 H VAL 20 7.985 -2.005 -0.453 163 HA VAL 20 HA VAL 20 10.485 -3.634 -0.476 164 HB VAL 20 HB VAL 20 8.354 -4.117 -1.839 165 HG11 VAL 20 HG11 VAL 20 9.452 -2.093 -3.775 166 HG12 VAL 20 HG12 VAL 20 8.290 -1.595 -2.547 167 HG13 VAL 20 HG13 VAL 20 7.851 -2.830 -3.725 168 HG21 VAL 20 HG21 VAL 20 10.606 -5.121 -2.270 169 HG22 VAL 20 HG22 VAL 20 10.945 -3.795 -3.382 170 HG23 VAL 20 HG23 VAL 20 9.643 -4.930 -3.735 171 H THR 21 H THR 21 9.578 -0.338 -0.592 172 HA THR 21 HA THR 21 11.990 0.385 -2.209 173 HB THR 21 HB THR 21 9.534 1.978 -1.410 174 HG1 THR 21 HG1 THR 21 8.814 0.681 -2.933 175 HG21 THR 21 HG21 THR 21 11.885 2.616 -3.208 176 HG22 THR 21 HG22 THR 21 11.378 3.487 -1.760 177 HG23 THR 21 HG23 THR 21 10.379 3.534 -3.212 178 H LEU 22 H LEU 22 10.466 0.807 0.955 179 HA LEU 22 HA LEU 22 12.327 2.843 1.884 180 HB2 LEU 22 HB2 LEU 22 10.371 0.968 3.237 181 HB3 LEU 22 HB3 LEU 22 11.285 2.194 4.114 182 HG LEU 22 HG LEU 22 9.526 2.831 1.730 183 HD11 LEU 22 HD11 LEU 22 8.093 1.941 3.475 184 HD12 LEU 22 HD12 LEU 22 7.922 3.696 3.461 185 HD13 LEU 22 HD13 LEU 22 8.908 2.916 4.698 186 HD21 LEU 22 HD21 LEU 22 10.906 4.474 3.871 187 HD22 LEU 22 HD22 LEU 22 9.658 5.131 2.814 188 HD23 LEU 22 HD23 LEU 22 11.171 4.541 2.129 189 H ARG 23 H ARG 23 12.168 -0.690 2.111 190 HA ARG 23 HA ARG 23 14.214 -1.121 4.038 191 HB2 ARG 23 HB2 ARG 23 12.564 -2.621 2.324 192 HB3 ARG 23 HB3 ARG 23 14.210 -3.087 1.891 193 HG2 ARG 23 HG2 ARG 23 14.231 -2.980 4.688 194 HG3 ARG 23 HG3 ARG 23 12.687 -3.733 4.287 195 HD2 ARG 23 HD2 ARG 23 13.817 -5.673 3.953 196 HD3 ARG 23 HD3 ARG 23 14.587 -4.912 2.546 197 HE ARG 23 HE ARG 23 15.711 -4.875 5.319 198 HH11 ARG 23 HH11 ARG 23 17.131 -6.473 3.288 199 HH12 ARG 23 HH12 ARG 23 18.327 -5.374 2.687 200 HH21 ARG 23 HH21 ARG 23 16.743 -2.550 3.956 201 HH22 ARG 23 HH22 ARG 23 18.105 -3.143 3.066 202 HA PRO 24 HA PRO 24 17.420 -1.246 0.494 203 HB2 PRO 24 HB2 PRO 24 16.653 -0.495 -2.024 204 HB3 PRO 24 HB3 PRO 24 16.533 -2.165 -1.435 205 HG2 PRO 24 HG2 PRO 24 14.417 -0.099 -1.713 206 HG3 PRO 24 HG3 PRO 24 14.335 -1.846 -1.982 207 HD2 PRO 24 HD2 PRO 24 13.390 -0.585 0.261 208 HD3 PRO 24 HD3 PRO 24 13.889 -2.287 0.207 209 H GLU 25 H GLU 25 18.287 0.627 -1.272 210 HA GLU 25 HA GLU 25 18.948 2.876 -1.495 211 HB2 GLU 25 HB2 GLU 25 16.197 2.742 -1.526 212 HB3 GLU 25 HB3 GLU 25 16.483 3.915 -0.241 213 HG2 GLU 25 HG2 GLU 25 18.280 4.700 -2.199 214 HG3 GLU 25 HG3 GLU 25 16.877 4.185 -3.137 215 H ARG 26 H ARG 26 18.280 5.087 0.236 216 HA ARG 26 HA ARG 26 19.726 4.244 2.720 217 HB2 ARG 26 HB2 ARG 26 20.493 6.590 2.747 218 HB3 ARG 26 HB3 ARG 26 20.844 5.846 1.189 219 HG2 ARG 26 HG2 ARG 26 19.427 7.227 0.073 220 HG3 ARG 26 HG3 ARG 26 18.190 7.122 1.325 221 HD2 ARG 26 HD2 ARG 26 20.734 8.716 1.748 222 HD3 ARG 26 HD3 ARG 26 19.284 9.431 1.015 223 HE ARG 26 HE ARG 26 18.974 7.977 3.596 224 HH11 ARG 26 HH11 ARG 26 20.288 10.857 3.384 225 HH12 ARG 26 HH12 ARG 26 18.929 11.814 3.873 226 HH21 ARG 26 HH21 ARG 26 16.646 9.214 3.532 227 HH22 ARG 26 HH22 ARG 26 16.859 10.879 3.956 Start of MODEL 36 1 HA ARG 1 HA ARG 1 -13.605 -2.087 -5.293 2 HB2 ARG 1 HB2 ARG 1 -14.117 -1.508 -7.849 3 HB3 ARG 1 HB3 ARG 1 -15.547 -0.753 -7.146 4 HG2 ARG 1 HG2 ARG 1 -14.040 0.493 -5.570 5 HG3 ARG 1 HG3 ARG 1 -12.657 -0.166 -6.444 6 HD2 ARG 1 HD2 ARG 1 -13.819 0.822 -8.569 7 HD3 ARG 1 HD3 ARG 1 -14.720 1.814 -7.407 8 HE ARG 1 HE ARG 1 -12.507 2.595 -6.525 9 HH11 ARG 1 HH11 ARG 1 -12.812 3.481 -9.419 10 HH12 ARG 1 HH12 ARG 1 -11.265 3.059 -10.070 11 HH21 ARG 1 HH21 ARG 1 -10.426 0.970 -7.420 12 HH22 ARG 1 HH22 ARG 1 -9.908 1.632 -8.935 13 H SER 2 H SER 2 -14.509 -1.205 -3.451 14 HA SER 2 HA SER 2 -17.366 -0.654 -3.178 15 HB2 SER 2 HB2 SER 2 -16.644 -3.277 -2.892 16 HB3 SER 2 HB3 SER 2 -16.473 -2.709 -1.233 17 HG SER 2 HG SER 2 -18.731 -2.975 -2.825 18 H ALA 3 H ALA 3 -17.725 -0.393 -0.560 19 HA ALA 3 HA ALA 3 -16.107 1.801 0.281 20 HB1 ALA 3 HB1 ALA 3 -17.829 -0.134 1.866 21 HB2 ALA 3 HB2 ALA 3 -18.402 1.317 1.042 22 HB3 ALA 3 HB3 ALA 3 -17.314 1.459 2.422 23 H LEU 4 H LEU 4 -16.015 -1.642 1.303 24 HA LEU 4 HA LEU 4 -13.429 -1.098 2.709 25 HB2 LEU 4 HB2 LEU 4 -15.716 -2.999 2.994 26 HB3 LEU 4 HB3 LEU 4 -14.124 -3.567 3.497 27 HG LEU 4 HG LEU 4 -14.793 -0.840 4.411 28 HD11 LEU 4 HD11 LEU 4 -17.005 -1.881 4.633 29 HD12 LEU 4 HD12 LEU 4 -16.275 -1.668 6.224 30 HD13 LEU 4 HD13 LEU 4 -16.288 -3.260 5.466 31 HD21 LEU 4 HD21 LEU 4 -13.795 -1.710 6.484 32 HD22 LEU 4 HD22 LEU 4 -12.775 -2.114 5.104 33 HD23 LEU 4 HD23 LEU 4 -13.813 -3.344 5.822 34 H VAL 5 H VAL 5 -14.243 -1.947 -0.324 35 HA VAL 5 HA VAL 5 -12.355 -4.251 -0.545 36 HB VAL 5 HB VAL 5 -14.427 -3.032 -2.399 37 HG11 VAL 5 HG11 VAL 5 -13.957 -5.087 -3.801 38 HG12 VAL 5 HG12 VAL 5 -12.523 -5.356 -2.811 39 HG13 VAL 5 HG13 VAL 5 -12.656 -3.898 -3.794 40 HG21 VAL 5 HG21 VAL 5 -15.573 -5.200 -2.029 41 HG22 VAL 5 HG22 VAL 5 -15.334 -4.332 -0.512 42 HG23 VAL 5 HG23 VAL 5 -14.282 -5.685 -0.929 43 H ASN 6 H ASN 6 -12.952 -0.974 -1.873 44 HA ASN 6 HA ASN 6 -10.460 -1.037 -3.448 45 HB2 ASN 6 HB2 ASN 6 -12.644 0.102 -4.085 46 HB3 ASN 6 HB3 ASN 6 -12.305 1.288 -2.823 47 HD21 ASN 6 HD21 ASN 6 -10.851 2.977 -3.340 48 HD22 ASN 6 HD22 ASN 6 -9.962 3.053 -4.783 49 H SER 7 H SER 7 -11.619 0.401 -0.396 50 HA SER 7 HA SER 7 -9.460 2.181 0.128 51 HB2 SER 7 HB2 SER 7 -11.764 1.427 1.367 52 HB3 SER 7 HB3 SER 7 -10.587 0.604 2.386 53 HG SER 7 HG SER 7 -10.976 3.335 1.904 54 H TYR 8 H TYR 8 -9.850 -1.246 1.129 55 HA TYR 8 HA TYR 8 -7.243 -1.531 2.303 56 HB2 TYR 8 HB2 TYR 8 -8.871 -3.153 2.858 57 HB3 TYR 8 HB3 TYR 8 -9.369 -3.359 1.179 58 HD1 TYR 8 HD1 TYR 8 -6.368 -3.798 3.393 59 HD2 TYR 8 HD2 TYR 8 -8.551 -5.180 -0.041 60 HE1 TYR 8 HE1 TYR 8 -4.785 -5.689 3.147 61 HE2 TYR 8 HE2 TYR 8 -6.967 -7.073 -0.284 62 HH TYR 8 HH TYR 8 -4.397 -7.420 0.464 63 H LEU 9 H LEU 9 -8.487 -2.105 -0.994 64 HA LEU 9 HA LEU 9 -6.176 -3.274 -2.163 65 HB2 LEU 9 HB2 LEU 9 -8.624 -1.832 -3.001 66 HB3 LEU 9 HB3 LEU 9 -7.310 -1.790 -4.174 67 HG LEU 9 HG LEU 9 -8.409 -4.306 -2.886 68 HD11 LEU 9 HD11 LEU 9 -8.762 -3.176 -5.679 69 HD12 LEU 9 HD12 LEU 9 -10.019 -3.312 -4.449 70 HD13 LEU 9 HD13 LEU 9 -9.311 -4.767 -5.152 71 HD21 LEU 9 HD21 LEU 9 -7.051 -5.245 -4.940 72 HD22 LEU 9 HD22 LEU 9 -6.203 -4.834 -3.450 73 HD23 LEU 9 HD23 LEU 9 -6.180 -3.717 -4.816 74 H TRP 10 H TRP 10 -7.060 0.168 -1.758 75 HA TRP 10 HA TRP 10 -4.791 1.267 -3.148 76 HB2 TRP 10 HB2 TRP 10 -6.702 2.641 -2.743 77 HB3 TRP 10 HB3 TRP 10 -6.715 2.246 -1.024 78 HD1 TRP 10 HD1 TRP 10 -4.376 4.001 -3.561 79 HE1 TRP 10 HE1 TRP 10 -3.166 5.924 -2.340 80 HE3 TRP 10 HE3 TRP 10 -6.198 3.328 1.157 81 HZ2 TRP 10 HZ2 TRP 10 -2.998 7.030 0.293 82 HZ3 TRP 10 HZ3 TRP 10 -5.499 4.825 3.003 83 HH2 TRP 10 HH2 TRP 10 -3.902 6.674 2.577 84 H GLN 11 H GLN 11 -5.379 0.600 0.329 85 HA GLN 11 HA GLN 11 -2.884 1.566 1.319 86 HB2 GLN 11 HB2 GLN 11 -4.884 -0.521 2.214 87 HB3 GLN 11 HB3 GLN 11 -3.458 -0.139 3.181 88 HG2 GLN 11 HG2 GLN 11 -4.166 2.303 3.049 89 HG3 GLN 11 HG3 GLN 11 -5.691 1.736 2.370 90 HE21 GLN 11 HE21 GLN 11 -6.986 0.201 3.776 91 HE22 GLN 11 HE22 GLN 11 -6.828 0.313 5.463 92 H ARG 12 H ARG 12 -3.794 -1.584 -0.063 93 HA ARG 12 HA ARG 12 -1.362 -2.986 0.589 94 HB2 ARG 12 HB2 ARG 12 -3.825 -3.364 -0.881 95 HB3 ARG 12 HB3 ARG 12 -2.470 -3.973 -1.830 96 HG2 ARG 12 HG2 ARG 12 -2.755 -4.649 1.098 97 HG3 ARG 12 HG3 ARG 12 -3.570 -5.599 -0.145 98 HD2 ARG 12 HD2 ARG 12 -1.625 -6.583 -0.828 99 HD3 ARG 12 HD3 ARG 12 -0.712 -5.067 -0.703 100 HE ARG 12 HE ARG 12 -0.432 -5.474 1.680 101 HH11 ARG 12 HH11 ARG 12 0.485 -8.095 0.625 102 HH12 ARG 12 HH12 ARG 12 -0.448 -9.226 1.547 103 HH21 ARG 12 HH21 ARG 12 -2.769 -6.860 2.593 104 HH22 ARG 12 HH22 ARG 12 -2.295 -8.523 2.667 105 H TRP 13 H TRP 13 -2.370 -1.058 -2.248 106 HA TRP 13 HA TRP 13 -0.115 -1.570 -3.914 107 HB2 TRP 13 HB2 TRP 13 -1.482 -0.313 -5.208 108 HB3 TRP 13 HB3 TRP 13 -2.435 0.126 -3.798 109 HD1 TRP 13 HD1 TRP 13 -2.539 2.606 -3.353 110 HE1 TRP 13 HE1 TRP 13 -1.074 4.658 -3.895 111 HE3 TRP 13 HE3 TRP 13 1.382 0.305 -5.676 112 HZ2 TRP 13 HZ2 TRP 13 1.431 5.244 -5.146 113 HZ3 TRP 13 HZ3 TRP 13 3.290 1.631 -6.534 114 HH2 TRP 13 HH2 TRP 13 3.320 4.096 -6.270 115 H GLU 14 H GLU 14 -0.633 1.004 -1.466 116 HA GLU 14 HA GLU 14 2.044 2.113 -1.788 117 HB2 GLU 14 HB2 GLU 14 -0.304 2.415 0.062 118 HB3 GLU 14 HB3 GLU 14 1.246 3.114 0.536 119 HG2 GLU 14 HG2 GLU 14 1.197 4.009 -1.977 120 HG3 GLU 14 HG3 GLU 14 -0.542 3.842 -1.744 121 H ASN 15 H ASN 15 0.480 -0.124 0.519 122 HA ASN 15 HA ASN 15 2.582 -0.471 2.379 123 HB2 ASN 15 HB2 ASN 15 0.489 -1.461 2.852 124 HB3 ASN 15 HB3 ASN 15 0.379 -2.208 1.260 125 HD21 ASN 15 HD21 ASN 15 3.205 -2.342 3.498 126 HD22 ASN 15 HD22 ASN 15 3.150 -4.026 3.692 127 H TRP 16 H TRP 16 1.982 -2.239 -0.688 128 HA TRP 16 HA TRP 16 4.304 -3.916 -0.568 129 HB2 TRP 16 HB2 TRP 16 2.643 -4.531 -2.118 130 HB3 TRP 16 HB3 TRP 16 2.439 -2.878 -2.697 131 HD1 TRP 16 HD1 TRP 16 5.035 -5.737 -2.813 132 HE1 TRP 16 HE1 TRP 16 6.394 -5.503 -4.991 133 HE3 TRP 16 HE3 TRP 16 3.061 -1.386 -4.621 134 HZ2 TRP 16 HZ2 TRP 16 6.614 -3.710 -7.206 135 HZ3 TRP 16 HZ3 TRP 16 3.862 -0.440 -6.766 136 HH2 TRP 16 HH2 TRP 16 5.634 -1.595 -8.061 137 H PHE 17 H PHE 17 3.754 -0.756 -2.176 138 HA PHE 17 HA PHE 17 6.343 -0.395 -3.289 139 HB2 PHE 17 HB2 PHE 17 4.142 0.919 -3.575 140 HB3 PHE 17 HB3 PHE 17 4.604 1.784 -2.109 141 HD1 PHE 17 HD1 PHE 17 5.666 0.969 -5.580 142 HD2 PHE 17 HD2 PHE 17 6.296 3.470 -2.143 143 HE1 PHE 17 HE1 PHE 17 7.161 2.429 -6.915 144 HE2 PHE 17 HE2 PHE 17 7.790 4.929 -3.479 145 HZ PHE 17 HZ PHE 17 8.222 4.409 -5.866 146 H TRP 18 H TRP 18 5.075 0.785 -0.136 147 HA TRP 18 HA TRP 18 7.565 1.878 0.790 148 HB2 TRP 18 HB2 TRP 18 5.054 0.876 2.158 149 HB3 TRP 18 HB3 TRP 18 6.360 1.668 3.036 150 HD1 TRP 18 HD1 TRP 18 3.194 2.514 1.699 151 HE1 TRP 18 HE1 TRP 18 3.015 4.986 0.995 152 HE3 TRP 18 HE3 TRP 18 8.153 3.767 1.587 153 HZ2 TRP 18 HZ2 TRP 18 4.742 7.197 0.457 154 HZ3 TRP 18 HZ3 TRP 18 8.850 6.059 0.975 155 HH2 TRP 18 HH2 TRP 18 7.153 7.777 0.412 156 H ASN 19 H ASN 19 6.488 -1.416 0.521 157 HA ASN 19 HA ASN 19 8.350 -2.397 2.608 158 HB2 ASN 19 HB2 ASN 19 6.174 -3.503 0.860 159 HB3 ASN 19 HB3 ASN 19 7.332 -4.617 1.588 160 HD21 ASN 19 HD21 ASN 19 5.980 -5.529 3.221 161 HD22 ASN 19 HD22 ASN 19 5.287 -4.612 4.468 162 H VAL 20 H VAL 20 8.141 -2.166 -0.926 163 HA VAL 20 HA VAL 20 10.658 -3.770 -1.175 164 HB VAL 20 HB VAL 20 9.996 -3.989 -3.526 165 HG11 VAL 20 HG11 VAL 20 8.922 -5.378 -1.615 166 HG12 VAL 20 HG12 VAL 20 8.159 -5.425 -3.204 167 HG13 VAL 20 HG13 VAL 20 7.477 -4.415 -1.928 168 HG21 VAL 20 HG21 VAL 20 7.363 -2.898 -3.497 169 HG22 VAL 20 HG22 VAL 20 8.728 -2.401 -4.496 170 HG23 VAL 20 HG23 VAL 20 8.457 -1.636 -2.930 171 H THR 21 H THR 21 9.814 -0.540 -0.892 172 HA THR 21 HA THR 21 11.947 0.359 -2.794 173 HB THR 21 HB THR 21 9.667 1.853 -1.460 174 HG1 THR 21 HG1 THR 21 8.641 0.833 -2.986 175 HG21 THR 21 HG21 THR 21 11.723 2.676 -3.521 176 HG22 THR 21 HG22 THR 21 11.441 3.401 -1.939 177 HG23 THR 21 HG23 THR 21 10.241 3.583 -3.218 178 H LEU 22 H LEU 22 11.188 0.057 0.567 179 HA LEU 22 HA LEU 22 13.182 2.100 1.377 180 HB2 LEU 22 HB2 LEU 22 11.096 0.401 2.747 181 HB3 LEU 22 HB3 LEU 22 12.307 1.276 3.684 182 HG LEU 22 HG LEU 22 11.575 3.341 2.264 183 HD11 LEU 22 HD11 LEU 22 8.863 2.303 2.143 184 HD12 LEU 22 HD12 LEU 22 9.949 1.399 1.093 185 HD13 LEU 22 HD13 LEU 22 9.793 3.144 0.905 186 HD21 LEU 22 HD21 LEU 22 11.147 3.197 4.650 187 HD22 LEU 22 HD22 LEU 22 9.811 2.076 4.382 188 HD23 LEU 22 HD23 LEU 22 9.674 3.754 3.857 189 H ARG 23 H ARG 23 12.669 -1.402 1.423 190 HA ARG 23 HA ARG 23 15.547 -1.746 2.198 191 HB2 ARG 23 HB2 ARG 23 13.042 -3.150 3.166 192 HB3 ARG 23 HB3 ARG 23 14.652 -3.828 3.412 193 HG2 ARG 23 HG2 ARG 23 14.245 -0.975 4.192 194 HG3 ARG 23 HG3 ARG 23 13.507 -2.204 5.217 195 HD2 ARG 23 HD2 ARG 23 15.827 -3.364 5.178 196 HD3 ARG 23 HD3 ARG 23 16.437 -1.806 4.586 197 HE ARG 23 HE ARG 23 15.686 -0.768 6.659 198 HH11 ARG 23 HH11 ARG 23 17.205 -3.190 7.652 199 HH12 ARG 23 HH12 ARG 23 16.104 -3.840 8.818 200 HH21 ARG 23 HH21 ARG 23 13.381 -2.023 7.648 201 HH22 ARG 23 HH22 ARG 23 13.929 -3.177 8.816 202 HA PRO 24 HA PRO 24 14.381 -4.126 -1.648 203 HB2 PRO 24 HB2 PRO 24 16.006 -2.828 -3.421 204 HB3 PRO 24 HB3 PRO 24 14.354 -2.296 -3.060 205 HG2 PRO 24 HG2 PRO 24 16.937 -1.179 -2.154 206 HG3 PRO 24 HG3 PRO 24 15.398 -0.366 -2.464 207 HD2 PRO 24 HD2 PRO 24 16.411 -1.032 0.043 208 HD3 PRO 24 HD3 PRO 24 14.727 -0.602 -0.319 209 H GLU 25 H GLU 25 15.801 -5.443 0.055 210 HA GLU 25 HA GLU 25 17.676 -6.813 0.482 211 HB2 GLU 25 HB2 GLU 25 17.392 -6.520 -2.490 212 HB3 GLU 25 HB3 GLU 25 18.787 -7.398 -1.864 213 HG2 GLU 25 HG2 GLU 25 17.330 -8.914 -0.626 214 HG3 GLU 25 HG3 GLU 25 15.907 -7.996 -1.122 215 H ARG 26 H ARG 26 18.413 -4.411 1.316 216 HA ARG 26 HA ARG 26 21.026 -3.778 -0.018 217 HB2 ARG 26 HB2 ARG 26 18.922 -2.147 0.271 218 HB3 ARG 26 HB3 ARG 26 19.643 -1.905 1.863 219 HG2 ARG 26 HG2 ARG 26 21.539 -1.830 -0.413 220 HG3 ARG 26 HG3 ARG 26 20.379 -0.502 -0.351 221 HD2 ARG 26 HD2 ARG 26 21.384 0.430 1.471 222 HD3 ARG 26 HD3 ARG 26 21.583 -1.143 2.269 223 HE ARG 26 HE ARG 26 23.322 -0.579 -0.072 224 HH11 ARG 26 HH11 ARG 26 23.529 -2.691 2.236 225 HH12 ARG 26 HH12 ARG 26 24.922 -2.077 3.065 226 HH21 ARG 26 HH21 ARG 26 24.846 1.008 1.462 227 HH22 ARG 26 HH22 ARG 26 25.671 0.025 2.625
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