NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623053 | 5nwv | 34133 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 -28.157 -0.218 -5.429 2 HA2 GLY 1 1HA GLY 1 -30.532 -1.316 -4.212 3 HA3 GLY 1 2HA GLY 1 -30.253 -1.875 -5.849 4 H ILE 2 HN ILE 2 -27.457 -2.015 -6.018 5 HA ILE 2 HA ILE 2 -26.997 -4.349 -4.404 6 HB ILE 2 HB ILE 2 -25.879 -3.107 -6.819 7 HG12 ILE 2 2HG1 ILE 2 -27.334 -5.281 -6.405 8 HG13 ILE 2 3HG1 ILE 2 -26.166 -5.184 -7.707 9 HG21 ILE 2 1HG2 ILE 2 -23.850 -2.924 -5.648 10 HG22 ILE 2 2HG2 ILE 2 -24.093 -4.474 -4.807 11 HG23 ILE 2 3HG2 ILE 2 -23.731 -4.454 -6.550 12 HD11 ILE 2 1HD1 ILE 2 -24.624 -6.575 -6.628 13 HD12 ILE 2 2HD1 ILE 2 -25.226 -6.155 -5.007 14 HD13 ILE 2 3HD1 ILE 2 -26.161 -7.259 -6.045 15 H GLY 3 HN GLY 3 -25.090 -1.311 -5.017 16 HA2 GLY 3 1HA GLY 3 -24.630 -0.003 -2.956 17 HA3 GLY 3 2HA GLY 3 -24.144 -1.518 -2.220 18 H ALA 4 HN ALA 4 -23.307 0.990 -4.600 19 HA ALA 4 HA ALA 4 -20.869 -0.337 -5.368 20 HB1 ALA 4 1HB ALA 4 -22.570 1.621 -6.453 21 HB2 ALA 4 2HB ALA 4 -21.075 2.494 -6.044 22 HB3 ALA 4 3HB ALA 4 -21.012 1.075 -7.116 23 H PHE 5 HN PHE 5 -21.967 1.424 -2.666 24 HA PHE 5 HA PHE 5 -19.575 2.904 -2.191 25 HB2 PHE 5 2HB PHE 5 -22.138 2.121 -0.733 26 HB3 PHE 5 3HB PHE 5 -20.840 2.843 0.198 27 HD1 PHE 5 1HD PHE 5 -22.446 3.522 -3.116 28 HD2 PHE 5 2HD PHE 5 -21.144 5.078 0.611 29 HE1 PHE 5 1HE PHE 5 -23.229 5.808 -3.797 30 HE2 PHE 5 2HE PHE 5 -21.927 7.364 -0.070 31 HZ PHE 5 HZ PHE 5 -22.960 7.701 -2.265 32 H GLY 6 HN GLY 6 -20.236 -0.394 -2.141 33 HA2 GLY 6 1HA GLY 6 -18.829 -1.053 0.300 34 HA3 GLY 6 2HA GLY 6 -19.474 -2.154 -0.901 35 H LEU 7 HN LEU 7 -18.165 -0.719 -3.201 36 HA LEU 7 HA LEU 7 -15.661 -2.092 -3.026 37 HB2 LEU 7 2HB LEU 7 -17.166 -1.986 -5.032 38 HB3 LEU 7 3HB LEU 7 -16.711 -0.304 -5.221 39 HG LEU 7 HG LEU 7 -14.291 -1.777 -5.023 40 HD11 LEU 7 1HD1 LEU 7 -16.020 -3.661 -5.681 41 HD12 LEU 7 2HD1 LEU 7 -15.834 -2.945 -7.301 42 HD13 LEU 7 3HD1 LEU 7 -14.411 -3.572 -6.436 43 HD21 LEU 7 1HD2 LEU 7 -15.033 0.361 -6.334 44 HD22 LEU 7 2HD2 LEU 7 -13.746 -0.686 -6.976 45 HD23 LEU 7 3HD2 LEU 7 -15.396 -0.799 -7.634 46 H LEU 8 HN LEU 8 -16.873 1.152 -2.449 47 HA LEU 8 HA LEU 8 -14.554 2.603 -2.943 48 HB2 LEU 8 2HB LEU 8 -17.092 2.961 -1.516 49 HB3 LEU 8 3HB LEU 8 -15.769 3.896 -0.848 50 HG LEU 8 HG LEU 8 -15.388 4.998 -2.968 51 HD11 LEU 8 1HD1 LEU 8 -15.810 3.248 -4.540 52 HD12 LEU 8 2HD1 LEU 8 -17.519 3.143 -4.053 53 HD13 LEU 8 3HD1 LEU 8 -16.922 4.589 -4.902 54 HD21 LEU 8 1HD2 LEU 8 -16.892 6.437 -2.192 55 HD22 LEU 8 2HD2 LEU 8 -18.101 5.623 -3.213 56 HD23 LEU 8 3HD2 LEU 8 -17.893 5.130 -1.516 57 H GLY 9 HN GLY 9 -15.725 0.966 0.071 58 HA2 GLY 9 1HA GLY 9 -13.580 1.696 1.704 59 HA3 GLY 9 2HA GLY 9 -14.625 0.305 1.914 60 H PHE 10 HN PHE 10 -14.069 -1.135 -0.502 61 HA PHE 10 HA PHE 10 -11.731 -2.465 0.274 62 HB2 PHE 10 2HB PHE 10 -13.233 -3.804 -0.953 63 HB3 PHE 10 3HB PHE 10 -13.785 -2.453 -1.924 64 HD1 PHE 10 1HD PHE 10 -11.343 -5.147 -1.648 65 HD2 PHE 10 2HD PHE 10 -12.595 -1.818 -3.963 66 HE1 PHE 10 1HE PHE 10 -9.946 -5.957 -3.571 67 HE2 PHE 10 2HE PHE 10 -11.199 -2.629 -5.885 68 HZ PHE 10 HZ PHE 10 -9.891 -4.689 -5.665 69 H LEU 11 HN LEU 11 -12.372 0.217 -1.964 70 HA LEU 11 HA LEU 11 -9.970 -0.059 -3.434 71 HB2 LEU 11 2HB LEU 11 -12.095 1.118 -4.118 72 HB3 LEU 11 3HB LEU 11 -11.638 2.423 -3.042 73 HG LEU 11 HG LEU 11 -9.396 2.390 -4.437 74 HD11 LEU 11 1HD1 LEU 11 -11.373 1.111 -6.343 75 HD12 LEU 11 2HD1 LEU 11 -9.828 1.852 -6.824 76 HD13 LEU 11 3HD1 LEU 11 -9.837 0.427 -5.758 77 HD21 LEU 11 1HD2 LEU 11 -11.019 4.256 -4.236 78 HD22 LEU 11 2HD2 LEU 11 -10.274 4.136 -5.848 79 HD23 LEU 11 3HD2 LEU 11 -11.939 3.563 -5.593 80 H ALA 12 HN ALA 12 -10.946 1.656 -0.440 81 HA ALA 12 HA ALA 12 -8.557 3.146 -0.218 82 HB1 ALA 12 1HB ALA 12 -9.368 3.568 2.069 83 HB2 ALA 12 2HB ALA 12 -10.692 3.732 0.890 84 HB3 ALA 12 3HB ALA 12 -10.570 2.266 1.893 85 H ALA 13 HN ALA 13 -9.530 -0.172 0.574 86 HA ALA 13 HA ALA 13 -7.605 -0.761 2.481 87 HB1 ALA 13 1HB ALA 13 -8.004 -3.059 0.880 88 HB2 ALA 13 2HB ALA 13 -8.863 -2.620 2.376 89 HB3 ALA 13 3HB ALA 13 -9.524 -2.137 0.795 90 H GLY 14 HN GLY 14 -7.442 -0.512 -1.083 91 HA2 GLY 14 1HA GLY 14 -4.904 -1.750 -1.373 92 HA3 GLY 14 2HA GLY 14 -5.724 -0.718 -2.528 93 H SER 15 HN SER 15 -6.036 1.637 -0.838 94 HA SER 15 HA SER 15 -3.655 2.883 -1.384 95 HB2 SER 15 2HB SER 15 -4.673 4.785 -0.542 96 HB3 SER 15 3HB SER 15 -6.088 3.778 -0.769 97 HG SER 15 HG SER 15 -4.650 4.279 1.688 98 H LYS 16 HN LYS 16 -4.771 1.078 1.477 99 HA LYS 16 HA LYS 16 -3.027 2.018 3.383 100 HB2 LYS 16 2HB LYS 16 -4.106 -0.787 2.980 101 HB3 LYS 16 3HB LYS 16 -3.340 -0.209 4.446 102 HG2 LYS 16 2HG LYS 16 -5.447 1.632 3.536 103 HG3 LYS 16 3HG LYS 16 -6.072 0.014 3.777 104 HD2 LYS 16 2HD LYS 16 -5.061 -0.027 6.073 105 HD3 LYS 16 3HD LYS 16 -4.458 1.601 5.831 106 HE2 LYS 16 2HE LYS 16 -7.142 1.904 5.184 107 HE3 LYS 16 3HE LYS 16 -7.222 0.679 6.434 108 HZ1 LYS 16 1HZ LYS 16 -7.260 2.981 7.320 109 HZ2 LYS 16 2HZ LYS 16 -6.003 2.135 7.916 110 H LYS 17 HN LYS 17 -2.538 -0.669 0.994 111 HA LYS 17 HA LYS 17 0.242 -0.819 1.774 112 HB2 LYS 17 2HB LYS 17 -1.187 -2.361 -0.404 113 HB3 LYS 17 3HB LYS 17 0.335 -2.759 0.367 114 HG2 LYS 17 2HG LYS 17 -1.345 -2.544 2.562 115 HG3 LYS 17 3HG LYS 17 -2.446 -3.164 1.348 116 HD2 LYS 17 2HD LYS 17 -0.615 -4.932 0.818 117 HD3 LYS 17 3HD LYS 17 0.163 -4.414 2.301 118 HE2 LYS 17 2HE LYS 17 -1.216 -5.788 3.465 119 HE3 LYS 17 3HE LYS 17 -2.575 -4.791 2.984 120 HZ1 LYS 17 1HZ LYS 17 -1.535 -6.868 1.155 121 HZ2 LYS 17 2HZ LYS 17 -2.610 -7.255 2.316 122 H21 ACA 18 1HA ACA 18 3.482 3.129 -5.756 123 H22 ACA 18 2HA ACA 18 3.366 1.388 -5.921 124 H31 ACA 18 2HB ACA 18 0.953 2.742 -4.771 125 H32 ACA 18 3HB ACA 18 2.391 2.778 -3.769 126 H41 ACA 18 2HG ACA 18 2.530 0.188 -4.369 127 H42 ACA 18 3HG ACA 18 0.831 0.377 -4.754 128 H51 ACA 18 2HD ACA 18 1.804 1.506 -2.133 129 H52 ACA 18 3HD ACA 18 1.670 -0.236 -2.266 130 H61 ACA 18 2HE ACA 18 -0.356 1.864 -2.241 131 H62 ACA 18 3HE ACA 18 -1.015 0.416 -3.698 132 HN61 ACA 18 HN ACA 18 -1.433 -0.541 -1.441 133 H LYS 19 HN LYS 19 0.190 1.689 -6.293 134 HA LYS 19 HA LYS 19 1.565 0.573 -8.614 135 HB2 LYS 19 2HB LYS 19 -0.417 -0.450 -6.624 136 HB3 LYS 19 3HB LYS 19 -0.473 -1.115 -8.244 137 HG2 LYS 19 2HG LYS 19 1.613 -2.123 -8.064 138 HG3 LYS 19 3HG LYS 19 2.253 -0.871 -7.016 139 HD2 LYS 19 2HD LYS 19 1.064 -1.757 -5.086 140 HD3 LYS 19 3HD LYS 19 0.125 -2.849 -6.087 141 HE2 LYS 19 2HE LYS 19 1.840 -4.383 -6.269 142 HE3 LYS 19 3HE LYS 19 3.080 -3.149 -6.363 143 HZ1 LYS 19 1HZ LYS 19 2.528 -2.783 -3.881 144 HZ2 LYS 19 2HZ LYS 19 1.810 -4.244 -3.936 145 H ASN 20 HN ASN 20 -1.282 2.423 -7.582 146 HA ASN 20 HA ASN 20 -2.067 2.493 -10.390 147 HB2 ASN 20 2HB ASN 20 -3.805 2.731 -7.878 148 HB3 ASN 20 3HB ASN 20 -4.401 3.027 -9.499 149 HD21 ASN 20 1HD2 ASN 20 -3.499 1.181 -11.077 150 HD22 ASN 20 2HD2 ASN 20 -3.898 -0.428 -10.578 151 H GLU 21 HN GLU 21 -2.513 4.621 -11.241 152 HA GLU 21 HA GLU 21 -1.169 6.709 -10.057 153 HB2 GLU 21 2HB GLU 21 -2.287 6.226 -12.520 154 HB3 GLU 21 3HB GLU 21 -3.404 7.424 -11.897 155 HG2 GLU 21 2HG GLU 21 -0.961 8.527 -11.182 156 HG3 GLU 21 3HG GLU 21 -0.552 7.727 -12.687 157 HE2 GLU 21 2HE GLU 21 -3.209 9.641 -14.322 158 H GLN 22 HN GLN 22 -4.629 5.743 -9.943 159 HA GLN 22 HA GLN 22 -5.623 8.037 -8.815 160 HB2 GLN 22 2HB GLN 22 -6.581 5.477 -9.479 161 HB3 GLN 22 3HB GLN 22 -6.880 5.602 -7.756 162 HG2 GLN 22 2HG GLN 22 -7.616 7.902 -9.595 163 HG3 GLN 22 3HG GLN 22 -8.681 6.519 -9.453 164 HE21 GLN 22 1HE2 GLN 22 -10.334 7.201 -8.298 165 HE22 GLN 22 2HE2 GLN 22 -10.268 7.942 -6.733 166 H GLU 23 HN GLU 23 -4.465 5.006 -7.171 167 HA GLU 23 HA GLU 23 -4.864 5.902 -4.610 168 HB2 GLU 23 2HB GLU 23 -2.857 3.931 -5.770 169 HB3 GLU 23 3HB GLU 23 -3.027 4.186 -4.045 170 HG2 GLU 23 2HG GLU 23 -5.453 3.589 -4.195 171 HG3 GLU 23 3HG GLU 23 -5.285 3.337 -5.920 172 HE2 GLU 23 2HE GLU 23 -3.049 0.987 -3.598 173 H LEU 24 HN LEU 24 -2.312 6.638 -6.954 174 HA LEU 24 HA LEU 24 -0.498 7.676 -5.010 175 HB2 LEU 24 2HB LEU 24 -0.366 6.860 -7.648 176 HB3 LEU 24 3HB LEU 24 -0.190 8.600 -7.765 177 HG LEU 24 HG LEU 24 1.988 7.622 -7.646 178 HD11 LEU 24 1HD1 LEU 24 2.578 9.419 -6.487 179 HD12 LEU 24 2HD1 LEU 24 1.010 9.447 -5.644 180 HD13 LEU 24 3HD1 LEU 24 2.355 8.482 -4.990 181 HD21 LEU 24 1HD2 LEU 24 2.475 5.764 -6.533 182 HD22 LEU 24 2HD2 LEU 24 1.998 6.502 -4.984 183 HD23 LEU 24 3HD2 LEU 24 0.778 5.697 -5.999 184 H LEU 25 HN LEU 25 -3.104 8.945 -7.116 185 HA LEU 25 HA LEU 25 -2.510 11.660 -6.672 186 HB2 LEU 25 2HB LEU 25 -4.518 10.055 -8.004 187 HB3 LEU 25 3HB LEU 25 -5.253 11.412 -7.173 188 HG LEU 25 HG LEU 25 -3.381 12.816 -8.362 189 HD11 LEU 25 1HD1 LEU 25 -2.267 11.952 -10.127 190 HD12 LEU 25 2HD1 LEU 25 -2.509 10.428 -9.242 191 HD13 LEU 25 3HD1 LEU 25 -3.598 10.861 -10.582 192 HD21 LEU 25 1HD2 LEU 25 -5.249 12.130 -10.466 193 HD22 LEU 25 2HD2 LEU 25 -6.069 12.245 -8.890 194 HD23 LEU 25 3HD2 LEU 25 -5.113 13.618 -9.499 195 H GLU 26 HN GLU 26 -4.351 9.184 -4.878 196 HA GLU 26 HA GLU 26 -5.570 11.071 -3.171 197 HB2 GLU 26 2HB GLU 26 -6.770 9.268 -2.514 198 HB3 GLU 26 3HB GLU 26 -5.901 8.359 -3.735 199 HG2 GLU 26 2HG GLU 26 -5.564 7.114 -1.734 200 HG3 GLU 26 3HG GLU 26 -4.062 7.988 -1.951 201 HE2 GLU 26 2HE GLU 26 -7.144 8.447 -0.125 202 H LEU 27 HN LEU 27 -2.509 9.260 -3.219 203 HA LEU 27 HA LEU 27 -1.908 9.712 -0.477 204 HB2 LEU 27 2HB LEU 27 -1.053 7.902 -2.114 205 HB3 LEU 27 3HB LEU 27 0.093 9.120 -2.636 206 HG LEU 27 HG LEU 27 1.152 7.699 -1.025 207 HD11 LEU 27 1HD1 LEU 27 0.675 10.047 0.731 208 HD12 LEU 27 2HD1 LEU 27 2.196 9.323 0.157 209 HD13 LEU 27 3HD1 LEU 27 1.250 10.377 -0.921 210 HD21 LEU 27 1HD2 LEU 27 -0.728 8.448 1.180 211 HD22 LEU 27 2HD2 LEU 27 -1.189 7.153 0.050 212 HD23 LEU 27 3HD2 LEU 27 0.313 7.016 0.996 213 H ASP 28 HN ASP 28 -1.474 11.475 -3.536 214 HA ASP 28 HA ASP 28 0.509 13.192 -2.694 215 HB2 ASP 28 2HB ASP 28 -0.747 12.814 -5.027 216 HB3 ASP 28 3HB ASP 28 -1.746 14.144 -4.473 217 HD2 ASP 28 2HD ASP 28 0.774 15.874 -3.525 218 H LYS 29 HN LYS 29 -3.111 13.349 -2.532 219 HA LYS 29 HA LYS 29 -3.278 15.930 -1.477 220 HB2 LYS 29 2HB LYS 29 -5.183 13.581 -1.242 221 HB3 LYS 29 3HB LYS 29 -5.575 15.240 -0.834 222 HG2 LYS 29 2HG LYS 29 -5.341 15.978 -3.107 223 HG3 LYS 29 3HG LYS 29 -4.485 14.525 -3.582 224 HD2 LYS 29 2HD LYS 29 -6.482 13.692 -4.268 225 HD3 LYS 29 3HD LYS 29 -6.910 13.533 -2.576 226 HE2 LYS 29 2HE LYS 29 -7.343 16.275 -3.188 227 HE3 LYS 29 3HE LYS 29 -7.958 15.399 -4.576 228 HZ1 LYS 29 1HZ LYS 29 -9.011 13.924 -2.659 229 HZ2 LYS 29 2HZ LYS 29 -8.897 15.308 -1.809 230 H TRP 30 HN TRP 30 -2.589 12.755 -0.031 231 HA TRP 30 HA TRP 30 -3.096 13.481 2.634 232 HB2 TRP 30 2HB TRP 30 -2.963 11.176 1.916 233 HB3 TRP 30 3HB TRP 30 -1.289 11.375 1.439 234 HD1 TRP 30 1HD TRP 30 -3.448 10.896 4.573 235 HE1 TRP 30 1HE TRP 30 -1.972 10.342 6.690 236 HE3 TRP 30 3HE TRP 30 1.030 11.824 2.348 237 HZ2 TRP 30 2HZ TRP 30 0.838 10.354 7.185 238 HZ3 TRP 30 3HZ TRP 30 3.091 11.528 3.718 239 HH2 TRP 30 2HH TRP 30 3.045 10.821 6.057 240 H ALA 31 HN ALA 31 0.076 13.055 0.890 241 HA ALA 31 HA ALA 31 1.635 14.256 2.820 242 HB1 ALA 31 1HB ALA 31 2.035 14.241 -0.200 243 HB2 ALA 31 2HB ALA 31 3.301 14.442 1.035 244 HB3 ALA 31 3HB ALA 31 2.434 12.895 0.895 245 H SER 32 HN SER 32 -0.539 15.654 0.402 246 HA SER 32 HA SER 32 0.513 18.139 0.138 247 HB2 SER 32 2HB SER 32 -1.697 16.949 -0.797 248 HB3 SER 32 3HB SER 32 -2.468 17.848 0.494 249 HG SER 32 HG SER 32 -1.742 18.755 -1.929 250 H LEU 33 HN LEU 33 -1.203 16.673 2.890 251 HA LEU 33 HA LEU 33 -1.998 18.921 4.256 252 HB2 LEU 33 2HB LEU 33 -2.051 17.544 6.197 253 HB3 LEU 33 3HB LEU 33 -2.585 16.609 4.814 254 HG LEU 33 HG LEU 33 0.012 15.901 4.809 255 HD11 LEU 33 1HD1 LEU 33 0.941 15.682 6.978 256 HD12 LEU 33 2HD1 LEU 33 0.417 17.375 6.819 257 HD13 LEU 33 3HD1 LEU 33 -0.563 16.225 7.759 258 HD21 LEU 33 1HD2 LEU 33 -1.520 14.370 6.802 259 HD22 LEU 33 2HD2 LEU 33 -2.378 14.666 5.272 260 HD23 LEU 33 3HD2 LEU 33 -0.792 13.858 5.260 261 H TRP 34 HN TRP 34 1.231 17.331 4.100 262 HA TRP 34 HA TRP 34 2.434 18.933 6.057 263 HB2 TRP 34 2HB TRP 34 3.614 17.464 3.693 264 HB3 TRP 34 3HB TRP 34 4.553 18.202 4.975 265 HD1 TRP 34 1HD TRP 34 2.002 15.309 4.495 266 HE1 TRP 34 1HE TRP 34 2.301 13.475 6.369 267 HE3 TRP 34 3HE TRP 34 5.460 17.879 7.194 268 HZ2 TRP 34 2HZ TRP 34 3.914 13.309 8.717 269 HZ3 TRP 34 3HZ TRP 34 6.346 16.811 9.265 270 HH2 TRP 34 2HH TRP 34 5.628 14.606 10.037 271 H ASN 35 HN ASN 35 1.835 19.295 2.532 272 HA ASN 35 HA ASN 35 3.189 21.856 2.637 273 HB2 ASN 35 2HB ASN 35 2.159 20.132 0.329 274 HB3 ASN 35 3HB ASN 35 2.764 21.758 0.080 275 HD21 ASN 35 1HD2 ASN 35 3.528 18.483 0.969 276 HD22 ASN 35 2HD2 ASN 35 5.253 18.583 0.852 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -28.071 1.191 -7.231 2 HA2 GLY 1 1HA GLY 1 -25.652 0.187 -7.642 3 HA3 GLY 1 2HA GLY 1 -25.226 1.668 -6.807 4 H ILE 2 HN ILE 2 -26.295 -1.595 -6.460 5 HA ILE 2 HA ILE 2 -27.370 -1.181 -3.805 6 HB ILE 2 HB ILE 2 -26.972 -3.651 -5.495 7 HG12 ILE 2 2HG1 ILE 2 -28.667 -2.392 -6.507 8 HG13 ILE 2 3HG1 ILE 2 -29.520 -3.553 -5.510 9 HG21 ILE 2 1HG2 ILE 2 -26.863 -3.962 -2.956 10 HG22 ILE 2 2HG2 ILE 2 -28.583 -3.502 -2.950 11 HG23 ILE 2 3HG2 ILE 2 -28.048 -4.936 -3.859 12 HD11 ILE 2 1HD1 ILE 2 -30.636 -1.594 -4.919 13 HD12 ILE 2 2HD1 ILE 2 -29.368 -1.623 -3.670 14 HD13 ILE 2 3HD1 ILE 2 -29.181 -0.585 -5.105 15 H GLY 3 HN GLY 3 -25.760 -0.517 -2.413 16 HA2 GLY 3 1HA GLY 3 -23.992 -0.743 -1.044 17 HA3 GLY 3 2HA GLY 3 -23.957 -2.449 -1.445 18 H ALA 4 HN ALA 4 -23.684 0.176 -3.875 19 HA ALA 4 HA ALA 4 -21.314 -0.959 -4.924 20 HB1 ALA 4 1HB ALA 4 -23.236 0.457 -6.028 21 HB2 ALA 4 2HB ALA 4 -22.258 1.848 -5.502 22 HB3 ALA 4 3HB ALA 4 -21.562 0.640 -6.609 23 H PHE 5 HN PHE 5 -22.055 1.421 -2.433 24 HA PHE 5 HA PHE 5 -19.709 2.899 -2.494 25 HB2 PHE 5 2HB PHE 5 -21.596 1.950 -0.259 26 HB3 PHE 5 3HB PHE 5 -20.352 3.153 0.023 27 HD1 PHE 5 1HD PHE 5 -23.583 3.136 0.020 28 HD2 PHE 5 2HD PHE 5 -20.553 4.752 -2.475 29 HE1 PHE 5 1HE PHE 5 -25.158 4.943 -0.724 30 HE2 PHE 5 2HE PHE 5 -22.129 6.560 -3.217 31 HZ PHE 5 HZ PHE 5 -24.413 6.633 -2.334 32 H GLY 6 HN GLY 6 -20.340 -0.410 -1.461 33 HA2 GLY 6 1HA GLY 6 -18.342 -0.796 0.431 34 HA3 GLY 6 2HA GLY 6 -18.994 -2.013 -0.648 35 H LEU 7 HN LEU 7 -18.198 -0.593 -3.150 36 HA LEU 7 HA LEU 7 -15.639 -1.714 -3.414 37 HB2 LEU 7 2HB LEU 7 -17.381 -1.416 -5.188 38 HB3 LEU 7 3HB LEU 7 -16.999 0.295 -5.211 39 HG LEU 7 HG LEU 7 -14.543 -1.120 -5.511 40 HD11 LEU 7 1HD1 LEU 7 -15.300 -3.078 -6.364 41 HD12 LEU 7 2HD1 LEU 7 -16.843 -2.380 -6.912 42 HD13 LEU 7 3HD1 LEU 7 -15.359 -2.114 -7.860 43 HD21 LEU 7 1HD2 LEU 7 -15.868 0.151 -7.856 44 HD22 LEU 7 2HD2 LEU 7 -15.576 1.165 -6.422 45 HD23 LEU 7 3HD2 LEU 7 -14.216 0.341 -7.219 46 H LEU 8 HN LEU 8 -16.826 1.465 -2.415 47 HA LEU 8 HA LEU 8 -14.391 2.833 -2.899 48 HB2 LEU 8 2HB LEU 8 -16.977 3.522 -2.307 49 HB3 LEU 8 3HB LEU 8 -16.162 3.858 -0.792 50 HG LEU 8 HG LEU 8 -14.474 5.211 -2.160 51 HD11 LEU 8 1HD1 LEU 8 -15.019 5.942 -4.334 52 HD12 LEU 8 2HD1 LEU 8 -15.247 4.177 -4.351 53 HD13 LEU 8 3HD1 LEU 8 -16.659 5.255 -4.246 54 HD21 LEU 8 1HD2 LEU 8 -15.854 7.198 -2.113 55 HD22 LEU 8 2HD2 LEU 8 -17.333 6.209 -2.074 56 HD23 LEU 8 3HD2 LEU 8 -16.209 6.183 -0.695 57 H GLY 9 HN GLY 9 -15.595 0.668 -0.399 58 HA2 GLY 9 1HA GLY 9 -13.652 1.516 1.574 59 HA3 GLY 9 2HA GLY 9 -14.801 0.198 1.692 60 H PHE 10 HN PHE 10 -13.901 -0.782 -1.108 61 HA PHE 10 HA PHE 10 -11.769 -2.429 -0.082 62 HB2 PHE 10 2HB PHE 10 -13.159 -3.753 -1.412 63 HB3 PHE 10 3HB PHE 10 -13.811 -2.360 -2.250 64 HD1 PHE 10 1HD PHE 10 -10.985 -4.737 -2.179 65 HD2 PHE 10 2HD PHE 10 -13.002 -1.728 -4.390 66 HE1 PHE 10 1HE PHE 10 -9.643 -5.332 -4.215 67 HE2 PHE 10 2HE PHE 10 -11.660 -2.324 -6.426 68 HZ PHE 10 HZ PHE 10 -9.996 -4.118 -6.314 69 H LEU 11 HN LEU 11 -12.258 0.259 -2.372 70 HA LEU 11 HA LEU 11 -9.730 -0.075 -3.640 71 HB2 LEU 11 2HB LEU 11 -11.784 0.976 -4.627 72 HB3 LEU 11 3HB LEU 11 -11.519 2.355 -3.577 73 HG LEU 11 HG LEU 11 -9.066 1.902 -4.922 74 HD11 LEU 11 1HD1 LEU 11 -10.621 0.552 -6.478 75 HD12 LEU 11 2HD1 LEU 11 -11.249 2.140 -6.980 76 HD13 LEU 11 3HD1 LEU 11 -9.525 1.756 -7.198 77 HD21 LEU 11 1HD2 LEU 11 -9.395 4.093 -4.478 78 HD22 LEU 11 2HD2 LEU 11 -10.044 4.095 -6.135 79 HD23 LEU 11 3HD2 LEU 11 -11.152 4.003 -4.745 80 H ALA 12 HN ALA 12 -11.007 1.672 -0.804 81 HA ALA 12 HA ALA 12 -8.657 3.258 -0.481 82 HB1 ALA 12 1HB ALA 12 -10.970 3.873 0.297 83 HB2 ALA 12 2HB ALA 12 -10.850 2.584 1.519 84 HB3 ALA 12 3HB ALA 12 -9.733 3.969 1.573 85 H ALA 13 HN ALA 13 -9.516 -0.045 0.099 86 HA ALA 13 HA ALA 13 -7.926 -0.467 2.405 87 HB1 ALA 13 1HB ALA 13 -9.840 -1.867 1.015 88 HB2 ALA 13 2HB ALA 13 -8.355 -2.731 0.549 89 HB3 ALA 13 3HB ALA 13 -8.785 -2.563 2.268 90 H GLY 14 HN GLY 14 -7.408 -0.803 -1.155 91 HA2 GLY 14 1HA GLY 14 -4.875 -1.953 -1.083 92 HA3 GLY 14 2HA GLY 14 -5.525 -0.956 -2.370 93 H SER 15 HN SER 15 -5.933 1.239 -0.116 94 HA SER 15 HA SER 15 -3.602 2.626 -0.760 95 HB2 SER 15 2HB SER 15 -6.061 3.344 0.137 96 HB3 SER 15 3HB SER 15 -5.189 3.432 1.655 97 HG SER 15 HG SER 15 -4.956 5.458 0.755 98 H LYS 16 HN LYS 16 -4.569 0.514 1.936 99 HA LYS 16 HA LYS 16 -2.391 1.326 3.612 100 HB2 LYS 16 2HB LYS 16 -4.363 -0.970 3.803 101 HB3 LYS 16 3HB LYS 16 -3.180 -0.568 5.031 102 HG2 LYS 16 2HG LYS 16 -5.223 0.505 5.706 103 HG3 LYS 16 3HG LYS 16 -4.182 1.782 5.111 104 HD2 LYS 16 2HD LYS 16 -5.410 2.040 3.104 105 HD3 LYS 16 3HD LYS 16 -6.080 0.423 3.183 106 HE2 LYS 16 2HE LYS 16 -7.955 1.465 3.983 107 HE3 LYS 16 3HE LYS 16 -7.095 1.493 5.511 108 HZ1 LYS 16 1HZ LYS 16 -6.815 3.684 3.535 109 HZ2 LYS 16 2HZ LYS 16 -7.964 3.708 4.689 110 H LYS 17 HN LYS 17 -3.202 -1.503 1.506 111 HA LYS 17 HA LYS 17 -0.986 -3.027 2.033 112 HB2 LYS 17 2HB LYS 17 -2.737 -2.693 -0.395 113 HB3 LYS 17 3HB LYS 17 -1.363 -3.779 -0.431 114 HG2 LYS 17 2HG LYS 17 -2.243 -4.962 1.592 115 HG3 LYS 17 3HG LYS 17 -3.616 -3.874 1.632 116 HD2 LYS 17 2HD LYS 17 -4.262 -4.649 -0.681 117 HD3 LYS 17 3HD LYS 17 -2.924 -5.781 -0.654 118 HE2 LYS 17 2HE LYS 17 -5.321 -5.760 1.239 119 HE3 LYS 17 3HE LYS 17 -4.987 -6.948 -0.005 120 HZ1 LYS 17 1HZ LYS 17 -2.785 -7.268 1.311 121 HZ2 LYS 17 2HZ LYS 17 -3.573 -6.560 2.549 122 H21 ACA 18 1HA ACA 18 3.697 -1.115 -1.629 123 H22 ACA 18 2HA ACA 18 4.461 -1.190 -3.205 124 H31 ACA 18 2HB ACA 18 3.230 0.938 -3.845 125 H32 ACA 18 3HB ACA 18 2.395 0.875 -2.306 126 H41 ACA 18 2HG ACA 18 2.236 -1.714 -3.670 127 H42 ACA 18 3HG ACA 18 1.648 -0.433 -4.711 128 H51 ACA 18 2HD ACA 18 -0.084 -1.524 -3.143 129 H52 ACA 18 3HD ACA 18 -0.042 0.228 -3.158 130 H61 ACA 18 2HE ACA 18 1.722 -1.219 -1.290 131 H62 ACA 18 3HE ACA 18 0.999 0.757 -0.817 132 HN61 ACA 18 HN ACA 18 -1.080 -1.547 -1.215 133 H LYS 19 HN LYS 19 6.733 -0.632 -2.643 134 HA LYS 19 HA LYS 19 6.306 -0.491 0.142 135 HB2 LYS 19 2HB LYS 19 8.955 -0.763 -1.297 136 HB3 LYS 19 3HB LYS 19 8.560 -1.288 0.327 137 HG2 LYS 19 2HG LYS 19 6.635 -2.446 -1.506 138 HG3 LYS 19 3HG LYS 19 8.245 -2.745 -2.130 139 HD2 LYS 19 2HD LYS 19 7.816 -4.589 -0.679 140 HD3 LYS 19 3HD LYS 19 8.879 -3.544 0.242 141 HE2 LYS 19 2HE LYS 19 5.998 -2.903 0.586 142 HE3 LYS 19 3HE LYS 19 6.427 -4.514 1.127 143 HZ1 LYS 19 1HZ LYS 19 7.116 -2.000 2.311 144 HZ2 LYS 19 2HZ LYS 19 7.175 -3.488 2.972 145 H ASN 20 HN ASN 20 8.159 1.538 -2.212 146 HA ASN 20 HA ASN 20 7.653 3.817 -0.645 147 HB2 ASN 20 2HB ASN 20 10.200 2.356 -0.242 148 HB3 ASN 20 3HB ASN 20 10.464 4.019 -0.725 149 HD21 ASN 20 1HD2 ASN 20 10.523 2.266 1.853 150 HD22 ASN 20 2HD2 ASN 20 9.807 3.278 3.062 151 H GLU 21 HN GLU 21 7.753 5.597 -2.077 152 HA GLU 21 HA GLU 21 8.168 5.105 -4.763 153 HB2 GLU 21 2HB GLU 21 8.105 7.740 -3.231 154 HB3 GLU 21 3HB GLU 21 8.032 7.621 -4.977 155 HG2 GLU 21 2HG GLU 21 5.973 6.177 -4.763 156 HG3 GLU 21 3HG GLU 21 6.029 6.391 -3.024 157 HE2 GLU 21 2HE GLU 21 4.789 9.535 -3.020 158 H GLN 22 HN GLN 22 10.311 6.412 -2.200 159 HA GLN 22 HA GLN 22 12.299 7.328 -3.908 160 HB2 GLN 22 2HB GLN 22 12.396 8.122 -1.686 161 HB3 GLN 22 3HB GLN 22 12.195 6.524 -0.994 162 HG2 GLN 22 2HG GLN 22 14.455 5.870 -1.650 163 HG3 GLN 22 3HG GLN 22 14.660 7.325 -2.605 164 HE21 GLN 22 1HE2 GLN 22 14.192 6.065 0.652 165 HE22 GLN 22 2HE2 GLN 22 14.935 7.367 1.519 166 H GLU 23 HN GLU 23 11.763 4.149 -2.273 167 HA GLU 23 HA GLU 23 14.176 3.044 -3.114 168 HB2 GLU 23 2HB GLU 23 11.567 1.978 -2.047 169 HB3 GLU 23 3HB GLU 23 12.700 0.836 -2.746 170 HG2 GLU 23 2HG GLU 23 14.445 2.205 -1.194 171 HG3 GLU 23 3HG GLU 23 12.988 2.534 -0.277 172 HE2 GLU 23 2HE GLU 23 12.400 0.038 1.097 173 H LEU 24 HN LEU 24 10.959 3.367 -4.625 174 HA LEU 24 HA LEU 24 11.494 1.505 -6.708 175 HB2 LEU 24 2HB LEU 24 9.254 2.412 -5.705 176 HB3 LEU 24 3HB LEU 24 9.459 3.696 -6.881 177 HG LEU 24 HG LEU 24 9.537 0.790 -7.694 178 HD11 LEU 24 1HD1 LEU 24 7.423 1.338 -6.422 179 HD12 LEU 24 2HD1 LEU 24 7.041 2.498 -7.717 180 HD13 LEU 24 3HD1 LEU 24 7.200 0.765 -8.092 181 HD21 LEU 24 1HD2 LEU 24 8.427 2.264 -9.737 182 HD22 LEU 24 2HD2 LEU 24 9.638 3.380 -9.059 183 HD23 LEU 24 3HD2 LEU 24 10.131 1.762 -9.615 184 H LEU 25 HN LEU 25 11.947 5.012 -6.185 185 HA LEU 25 HA LEU 25 12.476 5.645 -8.869 186 HB2 LEU 25 2HB LEU 25 11.891 7.412 -7.486 187 HB3 LEU 25 3HB LEU 25 13.000 6.933 -6.216 188 HG LEU 25 HG LEU 25 14.904 7.572 -7.749 189 HD11 LEU 25 1HD1 LEU 25 13.374 9.404 -9.377 190 HD12 LEU 25 2HD1 LEU 25 14.577 8.183 -9.856 191 HD13 LEU 25 3HD1 LEU 25 12.867 7.724 -9.671 192 HD21 LEU 25 1HD2 LEU 25 14.865 9.825 -7.106 193 HD22 LEU 25 2HD2 LEU 25 13.090 9.917 -7.194 194 HD23 LEU 25 3HD2 LEU 25 13.869 8.993 -5.888 195 H GLU 26 HN GLU 26 14.576 4.660 -6.099 196 HA GLU 26 HA GLU 26 16.962 4.981 -7.462 197 HB2 GLU 26 2HB GLU 26 16.043 3.516 -5.015 198 HB3 GLU 26 3HB GLU 26 17.582 3.016 -5.688 199 HG2 GLU 26 2HG GLU 26 18.372 5.395 -5.634 200 HG3 GLU 26 3HG GLU 26 16.836 5.885 -4.947 201 HE2 GLU 26 2HE GLU 26 18.985 6.317 -3.164 202 H LEU 27 HN LEU 27 14.525 2.395 -7.472 203 HA LEU 27 HA LEU 27 16.274 0.526 -8.779 204 HB2 LEU 27 2HB LEU 27 14.077 0.288 -7.203 205 HB3 LEU 27 3HB LEU 27 13.354 0.092 -8.788 206 HG LEU 27 HG LEU 27 13.879 -2.071 -7.899 207 HD11 LEU 27 1HD1 LEU 27 14.849 -2.997 -9.759 208 HD12 LEU 27 2HD1 LEU 27 14.424 -1.385 -10.380 209 HD13 LEU 27 3HD1 LEU 27 16.096 -1.732 -9.881 210 HD21 LEU 27 1HD2 LEU 27 16.640 -0.941 -7.432 211 HD22 LEU 27 2HD2 LEU 27 15.517 -1.666 -6.258 212 HD23 LEU 27 3HD2 LEU 27 16.314 -2.690 -7.476 213 H ASP 28 HN ASP 28 13.974 3.071 -9.641 214 HA ASP 28 HA ASP 28 13.434 2.181 -12.215 215 HB2 ASP 28 2HB ASP 28 12.698 4.335 -10.588 216 HB3 ASP 28 3HB ASP 28 13.597 5.120 -11.871 217 HD2 ASP 28 2HD ASP 28 11.319 4.641 -14.287 218 H LYS 29 HN LYS 29 15.702 4.749 -10.952 219 HA LYS 29 HA LYS 29 16.924 5.308 -13.378 220 HB2 LYS 29 2HB LYS 29 18.546 6.486 -12.097 221 HB3 LYS 29 3HB LYS 29 17.008 6.674 -11.280 222 HG2 LYS 29 2HG LYS 29 18.291 6.076 -9.450 223 HG3 LYS 29 3HG LYS 29 17.826 4.470 -9.972 224 HD2 LYS 29 2HD LYS 29 19.945 3.943 -10.722 225 HD3 LYS 29 3HD LYS 29 20.256 5.560 -11.318 226 HE2 LYS 29 2HE LYS 29 20.865 6.376 -9.150 227 HE3 LYS 29 3HE LYS 29 20.112 5.024 -8.329 228 HZ1 LYS 29 1HZ LYS 29 22.119 4.045 -8.396 229 HZ2 LYS 29 2HZ LYS 29 22.003 3.907 -10.014 230 H TRP 30 HN TRP 30 17.521 2.752 -10.941 231 HA TRP 30 HA TRP 30 19.987 1.897 -11.928 232 HB2 TRP 30 2HB TRP 30 19.148 1.263 -9.749 233 HB3 TRP 30 3HB TRP 30 17.803 0.400 -10.471 234 HD1 TRP 30 1HD TRP 30 21.559 0.015 -9.795 235 HE1 TRP 30 1HE TRP 30 22.371 -2.459 -10.225 236 HE3 TRP 30 3HE TRP 30 17.224 -1.599 -11.907 237 HZ2 TRP 30 2HZ TRP 30 21.137 -4.761 -11.374 238 HZ3 TRP 30 3HZ TRP 30 17.111 -3.974 -12.656 239 HH2 TRP 30 2HH TRP 30 18.975 -5.536 -12.417 240 H ALA 31 HN ALA 31 16.695 0.405 -12.409 241 HA ALA 31 HA ALA 31 17.444 -1.310 -14.432 242 HB1 ALA 31 1HB ALA 31 15.286 -1.892 -14.191 243 HB2 ALA 31 2HB ALA 31 15.092 -0.522 -13.070 244 HB3 ALA 31 3HB ALA 31 14.745 -0.310 -14.804 245 H SER 32 HN SER 32 16.860 2.181 -14.455 246 HA SER 32 HA SER 32 16.228 2.581 -17.063 247 HB2 SER 32 2HB SER 32 16.589 4.235 -15.032 248 HB3 SER 32 3HB SER 32 18.217 4.386 -15.664 249 HG SER 32 HG SER 32 17.140 4.888 -17.796 250 H LEU 33 HN LEU 33 19.340 1.686 -15.584 251 HA LEU 33 HA LEU 33 21.083 2.413 -17.581 252 HB2 LEU 33 2HB LEU 33 22.578 0.807 -16.659 253 HB3 LEU 33 3HB LEU 33 21.697 1.584 -15.358 254 HG LEU 33 HG LEU 33 20.126 -0.577 -15.683 255 HD11 LEU 33 1HD1 LEU 33 21.325 -2.551 -16.221 256 HD12 LEU 33 2HD1 LEU 33 21.632 -1.394 -17.539 257 HD13 LEU 33 3HD1 LEU 33 22.874 -1.678 -16.296 258 HD21 LEU 33 1HD2 LEU 33 22.576 -1.101 -14.087 259 HD22 LEU 33 2HD2 LEU 33 21.674 0.389 -13.718 260 HD23 LEU 33 3HD2 LEU 33 20.857 -1.190 -13.630 261 H TRP 34 HN TRP 34 18.927 -0.457 -17.323 262 HA TRP 34 HA TRP 34 19.932 -1.831 -19.525 263 HB2 TRP 34 2HB TRP 34 17.224 -1.785 -18.202 264 HB3 TRP 34 3HB TRP 34 17.591 -2.833 -19.558 265 HD1 TRP 34 1HD TRP 34 18.886 -2.225 -15.928 266 HE1 TRP 34 1HE TRP 34 19.863 -4.454 -14.906 267 HE3 TRP 34 3HE TRP 34 18.370 -5.008 -20.152 268 HZ2 TRP 34 2HZ TRP 34 20.299 -7.071 -15.955 269 HZ3 TRP 34 3HZ TRP 34 19.095 -7.392 -20.069 270 HH2 TRP 34 2HH TRP 34 20.033 -8.429 -18.063 271 H ASN 35 HN ASN 35 17.385 0.715 -19.172 272 HA ASN 35 HA ASN 35 17.416 0.918 -22.080 273 HB2 ASN 35 2HB ASN 35 15.175 2.344 -21.248 274 HB3 ASN 35 3HB ASN 35 15.144 0.686 -21.812 275 HD21 ASN 35 1HD2 ASN 35 15.727 -0.983 -20.120 276 HD22 ASN 35 2HD2 ASN 35 15.023 -0.804 -18.548 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -20.752 -8.978 -5.943 2 HA2 GLY 1 1HA GLY 1 -21.910 -7.813 -3.537 3 HA3 GLY 1 2HA GLY 1 -20.209 -7.491 -3.811 4 H ILE 2 HN ILE 2 -23.272 -6.266 -4.306 5 HA ILE 2 HA ILE 2 -22.514 -4.968 -6.826 6 HB ILE 2 HB ILE 2 -25.002 -6.017 -5.741 7 HG12 ILE 2 2HG1 ILE 2 -25.616 -5.999 -8.139 8 HG13 ILE 2 3HG1 ILE 2 -24.145 -5.121 -8.509 9 HG21 ILE 2 1HG2 ILE 2 -25.007 -3.202 -6.863 10 HG22 ILE 2 2HG2 ILE 2 -26.448 -4.230 -6.664 11 HG23 ILE 2 3HG2 ILE 2 -25.519 -3.713 -5.236 12 HD11 ILE 2 1HD1 ILE 2 -22.750 -6.962 -7.766 13 HD12 ILE 2 2HD1 ILE 2 -24.151 -7.813 -7.074 14 HD13 ILE 2 3HD1 ILE 2 -23.997 -7.640 -8.839 15 H GLY 3 HN GLY 3 -22.664 -4.579 -3.421 16 HA2 GLY 3 1HA GLY 3 -23.516 -1.978 -3.055 17 HA3 GLY 3 2HA GLY 3 -22.305 -2.801 -2.094 18 H ALA 4 HN ALA 4 -22.910 -0.323 -4.443 19 HA ALA 4 HA ALA 4 -20.285 -0.161 -5.511 20 HB1 ALA 4 1HB ALA 4 -21.090 1.938 -6.460 21 HB2 ALA 4 2HB ALA 4 -22.359 0.698 -6.611 22 HB3 ALA 4 3HB ALA 4 -22.478 1.945 -5.345 23 H PHE 5 HN PHE 5 -21.970 1.085 -2.630 24 HA PHE 5 HA PHE 5 -20.097 3.086 -2.014 25 HB2 PHE 5 2HB PHE 5 -22.569 2.166 -1.122 26 HB3 PHE 5 3HB PHE 5 -21.531 1.558 0.153 27 HD1 PHE 5 1HD PHE 5 -21.434 2.897 2.014 28 HD2 PHE 5 2HD PHE 5 -21.842 4.746 -1.784 29 HE1 PHE 5 1HE PHE 5 -21.467 5.153 3.115 30 HE2 PHE 5 2HE PHE 5 -21.875 7.001 -0.683 31 HZ PHE 5 HZ PHE 5 -21.687 7.178 1.754 32 H GLY 6 HN GLY 6 -20.315 -0.421 -1.294 33 HA2 GLY 6 1HA GLY 6 -18.265 -0.454 0.673 34 HA3 GLY 6 2HA GLY 6 -18.922 -1.820 -0.206 35 H LEU 7 HN LEU 7 -18.357 -0.661 -2.906 36 HA LEU 7 HA LEU 7 -15.875 -1.786 -3.338 37 HB2 LEU 7 2HB LEU 7 -17.835 -1.141 -4.925 38 HB3 LEU 7 3HB LEU 7 -16.988 0.384 -5.084 39 HG LEU 7 HG LEU 7 -16.430 -1.106 -6.915 40 HD11 LEU 7 1HD1 LEU 7 -14.229 -0.560 -7.006 41 HD12 LEU 7 2HD1 LEU 7 -14.681 0.411 -5.584 42 HD13 LEU 7 3HD1 LEU 7 -13.889 -1.169 -5.368 43 HD21 LEU 7 1HD2 LEU 7 -16.695 -3.167 -5.201 44 HD22 LEU 7 2HD2 LEU 7 -15.828 -3.277 -6.752 45 HD23 LEU 7 3HD2 LEU 7 -14.920 -3.032 -5.240 46 H LEU 8 HN LEU 8 -16.814 1.607 -2.605 47 HA LEU 8 HA LEU 8 -14.336 2.761 -3.099 48 HB2 LEU 8 2HB LEU 8 -16.612 3.831 -2.687 49 HB3 LEU 8 3HB LEU 8 -16.287 3.636 -0.977 50 HG LEU 8 HG LEU 8 -14.018 4.898 -1.675 51 HD11 LEU 8 1HD1 LEU 8 -14.250 6.470 -3.393 52 HD12 LEU 8 2HD1 LEU 8 -14.896 4.963 -4.085 53 HD13 LEU 8 3HD1 LEU 8 -16.010 6.226 -3.509 54 HD21 LEU 8 1HD2 LEU 8 -15.110 7.003 -0.939 55 HD22 LEU 8 2HD2 LEU 8 -16.687 6.187 -1.051 56 HD23 LEU 8 3HD2 LEU 8 -15.467 5.611 0.111 57 H GLY 9 HN GLY 9 -15.684 1.148 -0.170 58 HA2 GLY 9 1HA GLY 9 -13.510 1.730 1.531 59 HA3 GLY 9 2HA GLY 9 -14.699 0.458 1.731 60 H PHE 10 HN PHE 10 -14.316 -1.149 -0.536 61 HA PHE 10 HA PHE 10 -12.095 -2.646 0.238 62 HB2 PHE 10 2HB PHE 10 -13.889 -3.760 -0.902 63 HB3 PHE 10 3HB PHE 10 -14.048 -2.481 -2.090 64 HD1 PHE 10 1HD PHE 10 -13.100 -2.733 -4.202 65 HD2 PHE 10 2HD PHE 10 -11.741 -5.205 -1.030 66 HE1 PHE 10 1HE PHE 10 -11.739 -4.074 -5.830 67 HE2 PHE 10 2HE PHE 10 -10.382 -6.546 -2.658 68 HZ PHE 10 HZ PHE 10 -10.397 -5.965 -5.039 69 H LEU 11 HN LEU 11 -12.523 -0.038 -2.148 70 HA LEU 11 HA LEU 11 -10.112 -0.600 -3.547 71 HB2 LEU 11 2HB LEU 11 -12.179 0.619 -4.380 72 HB3 LEU 11 3HB LEU 11 -11.628 2.004 -3.456 73 HG LEU 11 HG LEU 11 -9.391 1.269 -4.958 74 HD11 LEU 11 1HD1 LEU 11 -10.646 -0.233 -6.349 75 HD12 LEU 11 2HD1 LEU 11 -11.900 0.998 -6.632 76 HD13 LEU 11 3HD1 LEU 11 -10.263 1.228 -7.290 77 HD21 LEU 11 1HD2 LEU 11 -11.479 3.414 -5.416 78 HD22 LEU 11 2HD2 LEU 11 -9.986 3.541 -4.455 79 HD23 LEU 11 3HD2 LEU 11 -9.894 3.355 -6.224 80 H ALA 12 HN ALA 12 -11.066 1.360 -0.715 81 HA ALA 12 HA ALA 12 -8.664 2.829 -0.569 82 HB1 ALA 12 1HB ALA 12 -11.159 2.589 0.833 83 HB2 ALA 12 2HB ALA 12 -9.837 2.475 2.019 84 HB3 ALA 12 3HB ALA 12 -9.947 3.887 0.939 85 H ALA 13 HN ALA 13 -9.521 -0.484 0.120 86 HA ALA 13 HA ALA 13 -7.767 -1.057 2.191 87 HB1 ALA 13 1HB ALA 13 -9.645 -2.442 0.958 88 HB2 ALA 13 2HB ALA 13 -8.289 -3.001 -0.052 89 HB3 ALA 13 3HB ALA 13 -8.264 -3.279 1.707 90 H GLY 14 HN GLY 14 -7.197 -0.218 -1.163 91 HA2 GLY 14 1HA GLY 14 -4.555 -1.415 -1.245 92 HA3 GLY 14 2HA GLY 14 -5.347 -0.471 -2.492 93 H SER 15 HN SER 15 -6.069 1.578 -0.207 94 HA SER 15 HA SER 15 -3.935 3.282 -0.765 95 HB2 SER 15 2HB SER 15 -6.236 4.064 -0.265 96 HB3 SER 15 3HB SER 15 -6.102 3.465 1.376 97 HG SER 15 HG SER 15 -5.086 5.258 1.935 98 H LYS 16 HN LYS 16 -4.579 0.901 1.764 99 HA LYS 16 HA LYS 16 -2.713 1.980 3.631 100 HB2 LYS 16 2HB LYS 16 -4.114 -0.701 3.441 101 HB3 LYS 16 3HB LYS 16 -3.073 -0.231 4.770 102 HG2 LYS 16 2HG LYS 16 -5.270 0.325 5.511 103 HG3 LYS 16 3HG LYS 16 -4.568 1.859 5.035 104 HD2 LYS 16 2HD LYS 16 -5.866 2.012 3.078 105 HD3 LYS 16 3HD LYS 16 -6.082 0.278 2.954 106 HE2 LYS 16 2HE LYS 16 -8.207 1.045 3.678 107 HE3 LYS 16 3HE LYS 16 -7.466 0.460 5.153 108 HZ1 LYS 16 1HZ LYS 16 -7.601 3.296 4.287 109 HZ2 LYS 16 2HZ LYS 16 -8.378 2.636 5.556 110 H LYS 17 HN LYS 17 -2.712 -0.695 1.195 111 HA LYS 17 HA LYS 17 0.202 -0.807 1.543 112 HB2 LYS 17 2HB LYS 17 -1.871 -2.884 0.944 113 HB3 LYS 17 3HB LYS 17 -0.270 -3.084 0.259 114 HG2 LYS 17 2HG LYS 17 0.653 -2.659 2.638 115 HG3 LYS 17 3HG LYS 17 -0.997 -2.813 3.208 116 HD2 LYS 17 2HD LYS 17 -1.005 -5.081 1.863 117 HD3 LYS 17 3HD LYS 17 0.740 -4.922 1.883 118 HE2 LYS 17 2HE LYS 17 -0.094 -4.371 4.549 119 HE3 LYS 17 3HE LYS 17 -1.056 -5.744 4.039 120 HZ1 LYS 17 1HZ LYS 17 1.411 -6.021 4.957 121 HZ2 LYS 17 2HZ LYS 17 0.799 -7.054 3.856 122 H21 ACA 18 1HA ACA 18 2.842 -3.138 -5.389 123 H22 ACA 18 2HA ACA 18 2.820 -3.799 -3.767 124 H31 ACA 18 2HB ACA 18 0.483 -3.689 -3.593 125 H32 ACA 18 3HB ACA 18 0.236 -3.831 -5.321 126 H41 ACA 18 2HG ACA 18 -0.130 -1.575 -5.251 127 H42 ACA 18 3HG ACA 18 1.618 -1.449 -5.208 128 H51 ACA 18 2HD ACA 18 1.133 -0.207 -3.313 129 H52 ACA 18 3HD ACA 18 1.241 -1.790 -2.570 130 H61 ACA 18 2HE ACA 18 -0.992 -0.016 -2.954 131 H62 ACA 18 3HE ACA 18 -1.742 -1.908 -3.668 132 HN61 ACA 18 HN ACA 18 -1.283 -2.325 -1.230 133 H LYS 19 HN LYS 19 1.785 -6.214 -3.594 134 HA LYS 19 HA LYS 19 4.307 -6.697 -5.001 135 HB2 LYS 19 2HB LYS 19 3.384 -7.164 -2.170 136 HB3 LYS 19 3HB LYS 19 4.743 -8.054 -2.826 137 HG2 LYS 19 2HG LYS 19 5.037 -5.254 -3.530 138 HG3 LYS 19 3HG LYS 19 4.719 -5.371 -1.811 139 HD2 LYS 19 2HD LYS 19 6.533 -7.313 -1.888 140 HD3 LYS 19 3HD LYS 19 7.011 -6.559 -3.396 141 HE2 LYS 19 2HE LYS 19 7.166 -5.461 -0.592 142 HE3 LYS 19 3HE LYS 19 8.370 -5.413 -1.864 143 HZ1 LYS 19 1HZ LYS 19 7.598 -3.273 -1.982 144 HZ2 LYS 19 2HZ LYS 19 6.496 -3.922 -2.990 145 H ASN 20 HN ASN 20 1.532 -8.448 -3.442 146 HA ASN 20 HA ASN 20 2.192 -10.920 -4.401 147 HB2 ASN 20 2HB ASN 20 -0.291 -9.566 -3.412 148 HB3 ASN 20 3HB ASN 20 -0.574 -11.002 -4.376 149 HD21 ASN 20 1HD2 ASN 20 -1.129 -12.487 -2.945 150 HD22 ASN 20 2HD2 ASN 20 -0.200 -12.996 -1.575 151 H GLU 21 HN GLU 21 0.877 -12.182 -6.147 152 HA GLU 21 HA GLU 21 1.123 -10.833 -8.572 153 HB2 GLU 21 2HB GLU 21 -0.112 -13.494 -7.777 154 HB3 GLU 21 3HB GLU 21 -0.117 -12.948 -9.442 155 HG2 GLU 21 2HG GLU 21 1.914 -14.024 -9.516 156 HG3 GLU 21 3HG GLU 21 2.507 -12.507 -8.869 157 HE2 GLU 21 2HE GLU 21 3.970 -14.975 -7.641 158 H GLN 22 HN GLN 22 -1.666 -11.601 -6.441 159 HA GLN 22 HA GLN 22 -3.642 -10.898 -8.249 160 HB2 GLN 22 2HB GLN 22 -3.502 -11.817 -5.594 161 HB3 GLN 22 3HB GLN 22 -4.308 -10.267 -5.456 162 HG2 GLN 22 2HG GLN 22 -5.761 -11.115 -7.495 163 HG3 GLN 22 3HG GLN 22 -5.167 -12.703 -7.048 164 HE21 GLN 22 1HE2 GLN 22 -7.695 -12.624 -6.880 165 HE22 GLN 22 2HE2 GLN 22 -8.325 -12.413 -5.280 166 H GLU 23 HN GLU 23 -1.798 -8.976 -5.812 167 HA GLU 23 HA GLU 23 -3.253 -6.659 -6.025 168 HB2 GLU 23 2HB GLU 23 -0.335 -7.198 -5.375 169 HB3 GLU 23 3HB GLU 23 -0.988 -5.572 -5.342 170 HG2 GLU 23 2HG GLU 23 -2.335 -7.842 -3.826 171 HG3 GLU 23 3HG GLU 23 -1.003 -6.946 -3.122 172 HE2 GLU 23 2HE GLU 23 -1.290 -4.633 -3.545 173 H LEU 24 HN LEU 24 -0.841 -8.102 -8.192 174 HA LEU 24 HA LEU 24 -0.344 -5.711 -9.652 175 HB2 LEU 24 2HB LEU 24 0.382 -8.580 -9.825 176 HB3 LEU 24 3HB LEU 24 0.406 -7.678 -11.327 177 HG LEU 24 HG LEU 24 2.609 -7.762 -10.260 178 HD11 LEU 24 1HD1 LEU 24 2.859 -5.884 -11.423 179 HD12 LEU 24 2HD1 LEU 24 1.211 -5.336 -11.035 180 HD13 LEU 24 3HD1 LEU 24 2.549 -5.000 -9.909 181 HD21 LEU 24 1HD2 LEU 24 2.351 -5.906 -8.137 182 HD22 LEU 24 2HD2 LEU 24 1.115 -7.163 -7.887 183 HD23 LEU 24 3HD2 LEU 24 2.827 -7.619 -8.059 184 H LEU 25 HN LEU 25 -2.561 -8.529 -9.960 185 HA LEU 25 HA LEU 25 -3.533 -7.873 -12.492 186 HB2 LEU 25 2HB LEU 25 -4.023 -10.005 -11.885 187 HB3 LEU 25 3HB LEU 25 -4.366 -9.588 -10.219 188 HG LEU 25 HG LEU 25 -6.322 -8.438 -12.063 189 HD11 LEU 25 1HD1 LEU 25 -6.460 -11.434 -11.876 190 HD12 LEU 25 2HD1 LEU 25 -7.290 -10.324 -12.993 191 HD13 LEU 25 3HD1 LEU 25 -5.551 -10.649 -13.190 192 HD21 LEU 25 1HD2 LEU 25 -6.206 -9.772 -9.436 193 HD22 LEU 25 2HD2 LEU 25 -7.198 -8.405 -9.996 194 HD23 LEU 25 3HD2 LEU 25 -7.690 -10.074 -10.371 195 H GLU 26 HN GLU 26 -4.115 -6.526 -9.282 196 HA GLU 26 HA GLU 26 -6.579 -5.350 -9.914 197 HB2 GLU 26 2HB GLU 26 -6.544 -4.716 -7.731 198 HB3 GLU 26 3HB GLU 26 -5.114 -5.722 -7.614 199 HG2 GLU 26 2HG GLU 26 -4.394 -3.653 -6.713 200 HG3 GLU 26 3HG GLU 26 -3.775 -3.612 -8.352 201 HE2 GLU 26 2HE GLU 26 -4.410 -0.785 -7.807 202 H LEU 27 HN LEU 27 -3.173 -4.444 -10.389 203 HA LEU 27 HA LEU 27 -3.813 -1.716 -11.018 204 HB2 LEU 27 2HB LEU 27 -1.595 -2.993 -10.104 205 HB3 LEU 27 3HB LEU 27 -1.204 -2.842 -11.805 206 HG LEU 27 HG LEU 27 -0.265 -0.966 -10.710 207 HD11 LEU 27 1HD1 LEU 27 -1.382 -0.520 -12.877 208 HD12 LEU 27 2HD1 LEU 27 -2.830 0.012 -11.990 209 HD13 LEU 27 3HD1 LEU 27 -1.302 0.908 -11.818 210 HD21 LEU 27 1HD2 LEU 27 -1.779 -1.204 -8.672 211 HD22 LEU 27 2HD2 LEU 27 -1.321 0.447 -9.154 212 HD23 LEU 27 3HD2 LEU 27 -2.938 -0.179 -9.551 213 H ASP 28 HN ASP 28 -3.480 -4.825 -12.683 214 HA ASP 28 HA ASP 28 -3.074 -3.779 -15.228 215 HB2 ASP 28 2HB ASP 28 -3.751 -6.370 -13.991 216 HB3 ASP 28 3HB ASP 28 -4.523 -6.172 -15.552 217 HD2 ASP 28 2HD ASP 28 -1.955 -6.659 -17.425 218 H LYS 29 HN LYS 29 -6.031 -5.059 -13.518 219 HA LYS 29 HA LYS 29 -7.830 -4.433 -15.558 220 HB2 LYS 29 2HB LYS 29 -9.503 -5.045 -14.039 221 HB3 LYS 29 3HB LYS 29 -8.117 -6.005 -13.566 222 HG2 LYS 29 2HG LYS 29 -7.574 -4.055 -11.906 223 HG3 LYS 29 3HG LYS 29 -9.209 -3.507 -12.216 224 HD2 LYS 29 2HD LYS 29 -8.581 -6.359 -11.337 225 HD3 LYS 29 3HD LYS 29 -8.890 -5.070 -10.191 226 HE2 LYS 29 2HE LYS 29 -10.844 -5.722 -12.437 227 HE3 LYS 29 3HE LYS 29 -10.910 -6.541 -10.890 228 HZ1 LYS 29 1HZ LYS 29 -10.783 -3.926 -10.173 229 HZ2 LYS 29 2HZ LYS 29 -11.688 -3.842 -11.524 230 H TRP 30 HN TRP 30 -6.466 -2.533 -12.851 231 HA TRP 30 HA TRP 30 -8.265 -0.401 -12.978 232 HB2 TRP 30 2HB TRP 30 -6.784 -0.762 -11.100 233 HB3 TRP 30 3HB TRP 30 -5.373 -0.514 -12.110 234 HD1 TRP 30 1HD TRP 30 -8.129 1.464 -10.320 235 HE1 TRP 30 1HE TRP 30 -7.592 4.047 -10.273 236 HE3 TRP 30 3HE TRP 30 -4.148 1.228 -13.475 237 HZ2 TRP 30 2HZ TRP 30 -5.607 5.666 -11.533 238 HZ3 TRP 30 3HZ TRP 30 -2.966 3.355 -14.014 239 HH2 TRP 30 2HH TRP 30 -3.637 5.520 -13.100 240 H ALA 31 HN ALA 31 -4.868 -0.610 -14.283 241 HA ALA 31 HA ALA 31 -5.011 1.661 -15.835 242 HB1 ALA 31 1HB ALA 31 -3.422 -0.915 -16.120 243 HB2 ALA 31 2HB ALA 31 -3.130 0.533 -17.113 244 HB3 ALA 31 3HB ALA 31 -2.908 0.605 -15.348 245 H SER 32 HN SER 32 -6.365 -1.570 -16.334 246 HA SER 32 HA SER 32 -6.600 -1.621 -19.036 247 HB2 SER 32 2HB SER 32 -7.337 -3.311 -17.146 248 HB3 SER 32 3HB SER 32 -8.892 -2.512 -17.268 249 HG SER 32 HG SER 32 -8.463 -2.943 -19.747 250 H LEU 33 HN LEU 33 -8.389 0.297 -16.628 251 HA LEU 33 HA LEU 33 -10.628 0.972 -18.073 252 HB2 LEU 33 2HB LEU 33 -10.824 2.842 -16.613 253 HB3 LEU 33 3HB LEU 33 -10.233 1.464 -15.706 254 HG LEU 33 HG LEU 33 -7.870 2.614 -16.293 255 HD11 LEU 33 1HD1 LEU 33 -7.937 4.984 -16.280 256 HD12 LEU 33 2HD1 LEU 33 -9.077 4.451 -17.540 257 HD13 LEU 33 3HD1 LEU 33 -9.690 5.008 -15.963 258 HD21 LEU 33 1HD2 LEU 33 -9.213 3.912 -14.003 259 HD22 LEU 33 2HD2 LEU 33 -9.313 2.135 -14.045 260 HD23 LEU 33 3HD2 LEU 33 -7.724 2.939 -14.072 261 H TRP 34 HN TRP 34 -7.260 2.136 -18.344 262 HA TRP 34 HA TRP 34 -7.889 4.314 -20.042 263 HB2 TRP 34 2HB TRP 34 -5.338 2.822 -19.438 264 HB3 TRP 34 3HB TRP 34 -5.408 4.172 -20.555 265 HD1 TRP 34 1HD TRP 34 -6.037 3.461 -16.780 266 HE1 TRP 34 1HE TRP 34 -5.676 5.647 -15.346 267 HE3 TRP 34 3HE TRP 34 -5.310 6.568 -20.738 268 HZ2 TRP 34 2HZ TRP 34 -5.139 8.369 -16.014 269 HZ3 TRP 34 3HZ TRP 34 -4.873 8.976 -20.260 270 HH2 TRP 34 2HH TRP 34 -4.782 9.888 -17.995 271 H ASN 35 HN ASN 35 -6.455 1.014 -20.611 272 HA ASN 35 HA ASN 35 -7.013 1.342 -23.413 273 HB2 ASN 35 2HB ASN 35 -5.920 -1.201 -22.159 274 HB3 ASN 35 3HB ASN 35 -5.584 -0.540 -23.748 275 HD21 ASN 35 1HD2 ASN 35 -4.787 -0.557 -20.404 276 HD22 ASN 35 2HD2 ASN 35 -3.415 0.501 -20.445 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -24.571 1.045 -10.147 2 HA2 GLY 1 1HA GLY 1 -22.403 0.930 -8.848 3 HA3 GLY 1 2HA GLY 1 -21.986 2.405 -9.700 4 H ILE 2 HN ILE 2 -24.996 1.144 -8.078 5 HA ILE 2 HA ILE 2 -25.593 3.760 -7.093 6 HB ILE 2 HB ILE 2 -26.853 1.062 -6.590 7 HG12 ILE 2 2HG1 ILE 2 -26.828 2.022 -8.965 8 HG13 ILE 2 3HG1 ILE 2 -28.371 1.533 -8.296 9 HG21 ILE 2 1HG2 ILE 2 -28.016 3.791 -5.991 10 HG22 ILE 2 2HG2 ILE 2 -28.711 2.197 -5.613 11 HG23 ILE 2 3HG2 ILE 2 -27.241 2.748 -4.775 12 HD11 ILE 2 1HD1 ILE 2 -27.430 4.395 -7.965 13 HD12 ILE 2 2HD1 ILE 2 -28.189 3.865 -9.486 14 HD13 ILE 2 3HD1 ILE 2 -29.092 3.756 -7.957 15 H GLY 3 HN GLY 3 -24.952 0.583 -5.437 16 HA2 GLY 3 1HA GLY 3 -24.086 2.094 -3.072 17 HA3 GLY 3 2HA GLY 3 -24.541 0.402 -3.137 18 H ALA 4 HN ALA 4 -22.212 2.444 -5.052 19 HA ALA 4 HA ALA 4 -20.311 0.319 -5.090 20 HB1 ALA 4 1HB ALA 4 -20.851 2.395 -6.726 21 HB2 ALA 4 2HB ALA 4 -19.539 3.125 -5.770 22 HB3 ALA 4 3HB ALA 4 -19.253 1.611 -6.663 23 H PHE 5 HN PHE 5 -21.308 2.419 -2.668 24 HA PHE 5 HA PHE 5 -19.033 3.478 -1.591 25 HB2 PHE 5 2HB PHE 5 -21.664 2.331 -0.605 26 HB3 PHE 5 3HB PHE 5 -20.467 2.709 0.618 27 HD1 PHE 5 1HD PHE 5 -20.731 4.754 1.626 28 HD2 PHE 5 2HD PHE 5 -21.828 4.357 -2.455 29 HE1 PHE 5 1HE PHE 5 -21.450 7.158 1.585 30 HE2 PHE 5 2HE PHE 5 -22.547 6.762 -2.494 31 HZ PHE 5 HZ PHE 5 -22.351 8.134 -0.474 32 H GLY 6 HN GLY 6 -20.380 0.143 -1.158 33 HA2 GLY 6 1HA GLY 6 -18.553 -0.764 0.739 34 HA3 GLY 6 2HA GLY 6 -19.436 -1.752 -0.407 35 H LEU 7 HN LEU 7 -18.510 -1.257 -2.871 36 HA LEU 7 HA LEU 7 -16.110 -2.555 -3.016 37 HB2 LEU 7 2HB LEU 7 -17.987 -1.755 -4.769 38 HB3 LEU 7 3HB LEU 7 -16.731 -0.594 -5.151 39 HG LEU 7 HG LEU 7 -16.785 -2.712 -6.538 40 HD11 LEU 7 1HD1 LEU 7 -14.836 -1.128 -6.321 41 HD12 LEU 7 2HD1 LEU 7 -14.154 -2.250 -5.119 42 HD13 LEU 7 3HD1 LEU 7 -14.425 -2.795 -6.792 43 HD21 LEU 7 1HD2 LEU 7 -17.005 -4.034 -4.189 44 HD22 LEU 7 2HD2 LEU 7 -16.397 -4.766 -5.695 45 HD23 LEU 7 3HD2 LEU 7 -15.253 -4.171 -4.469 46 H LEU 8 HN LEU 8 -16.751 1.001 -2.962 47 HA LEU 8 HA LEU 8 -14.160 1.842 -3.393 48 HB2 LEU 8 2HB LEU 8 -16.661 2.940 -2.399 49 HB3 LEU 8 3HB LEU 8 -15.275 3.658 -1.604 50 HG LEU 8 HG LEU 8 -14.322 4.089 -3.934 51 HD11 LEU 8 1HD1 LEU 8 -15.636 2.593 -5.258 52 HD12 LEU 8 2HD1 LEU 8 -17.152 3.342 -4.705 53 HD13 LEU 8 3HD1 LEU 8 -16.036 4.256 -5.747 54 HD21 LEU 8 1HD2 LEU 8 -16.515 5.848 -4.124 55 HD22 LEU 8 2HD2 LEU 8 -16.295 5.508 -2.390 56 HD23 LEU 8 3HD2 LEU 8 -14.936 6.139 -3.352 57 H GLY 9 HN GLY 9 -15.740 0.544 -0.465 58 HA2 GLY 9 1HA GLY 9 -13.791 1.313 1.407 59 HA3 GLY 9 2HA GLY 9 -14.922 -0.018 1.552 60 H PHE 10 HN PHE 10 -14.245 -1.782 -0.455 61 HA PHE 10 HA PHE 10 -11.956 -2.997 0.600 62 HB2 PHE 10 2HB PHE 10 -13.501 -4.463 -0.441 63 HB3 PHE 10 3HB PHE 10 -13.900 -3.303 -1.692 64 HD1 PHE 10 1HD PHE 10 -13.279 -3.871 -3.828 65 HD2 PHE 10 2HD PHE 10 -10.902 -5.255 -0.597 66 HE1 PHE 10 1HE PHE 10 -11.803 -5.100 -5.442 67 HE2 PHE 10 2HE PHE 10 -9.424 -6.485 -2.211 68 HZ PHE 10 HZ PHE 10 -9.892 -6.393 -4.614 69 H LEU 11 HN LEU 11 -12.515 -0.852 -2.213 70 HA LEU 11 HA LEU 11 -9.952 -1.343 -3.348 71 HB2 LEU 11 2HB LEU 11 -11.993 -0.631 -4.588 72 HB3 LEU 11 3HB LEU 11 -11.873 0.940 -3.821 73 HG LEU 11 HG LEU 11 -9.521 1.086 -4.848 74 HD11 LEU 11 1HD1 LEU 11 -9.755 -1.491 -5.442 75 HD12 LEU 11 2HD1 LEU 11 -10.457 -0.826 -6.937 76 HD13 LEU 11 3HD1 LEU 11 -8.808 -0.370 -6.449 77 HD21 LEU 11 1HD2 LEU 11 -11.086 2.554 -5.725 78 HD22 LEU 11 2HD2 LEU 11 -10.566 1.635 -7.158 79 HD23 LEU 11 3HD2 LEU 11 -12.112 1.248 -6.365 80 H ALA 12 HN ALA 12 -11.280 0.746 -0.830 81 HA ALA 12 HA ALA 12 -9.183 2.649 -0.880 82 HB1 ALA 12 1HB ALA 12 -11.243 1.832 1.203 83 HB2 ALA 12 2HB ALA 12 -10.124 3.201 1.405 84 HB3 ALA 12 3HB ALA 12 -11.318 3.216 0.085 85 H ALA 13 HN ALA 13 -9.422 -0.658 0.128 86 HA ALA 13 HA ALA 13 -7.726 -0.688 2.324 87 HB1 ALA 13 1HB ALA 13 -7.709 -2.883 0.259 88 HB2 ALA 13 2HB ALA 13 -7.749 -2.998 2.035 89 HB3 ALA 13 3HB ALA 13 -9.213 -2.523 1.140 90 H GLY 14 HN GLY 14 -7.110 -0.223 -1.129 91 HA2 GLY 14 1HA GLY 14 -4.268 -0.751 -0.881 92 HA3 GLY 14 2HA GLY 14 -5.146 -0.243 -2.309 93 H SER 15 HN SER 15 -6.492 1.912 -0.414 94 HA SER 15 HA SER 15 -4.818 3.980 -1.217 95 HB2 SER 15 2HB SER 15 -7.333 4.054 -0.704 96 HB3 SER 15 3HB SER 15 -6.907 4.108 0.996 97 HG SER 15 HG SER 15 -6.387 6.058 -1.054 98 H LYS 16 HN LYS 16 -4.757 1.818 1.514 99 HA LYS 16 HA LYS 16 -3.444 3.582 3.320 100 HB2 LYS 16 2HB LYS 16 -3.788 0.571 3.279 101 HB3 LYS 16 3HB LYS 16 -3.033 1.455 4.590 102 HG2 LYS 16 2HG LYS 16 -5.324 1.196 5.240 103 HG3 LYS 16 3HG LYS 16 -5.174 2.868 4.735 104 HD2 LYS 16 2HD LYS 16 -6.321 2.500 2.694 105 HD3 LYS 16 3HD LYS 16 -5.985 0.780 2.696 106 HE2 LYS 16 2HE LYS 16 -8.390 1.384 3.267 107 HE3 LYS 16 3HE LYS 16 -7.599 0.361 4.449 108 HZ1 LYS 16 1HZ LYS 16 -7.636 2.020 5.987 109 HZ2 LYS 16 2HZ LYS 16 -7.302 3.209 4.925 110 H LYS 17 HN LYS 17 -2.510 1.716 0.525 111 HA LYS 17 HA LYS 17 0.201 1.342 1.285 112 HB2 LYS 17 2HB LYS 17 -1.177 1.236 -1.414 113 HB3 LYS 17 3HB LYS 17 0.484 0.763 -1.124 114 HG2 LYS 17 2HG LYS 17 -0.561 -0.770 0.773 115 HG3 LYS 17 3HG LYS 17 -2.056 -0.546 -0.114 116 HD2 LYS 17 2HD LYS 17 -1.284 -2.413 -1.240 117 HD3 LYS 17 3HD LYS 17 -0.489 -1.190 -2.212 118 HE2 LYS 17 2HE LYS 17 1.605 -1.466 -1.012 119 HE3 LYS 17 3HE LYS 17 0.843 -2.434 0.234 120 HZ1 LYS 17 1HZ LYS 17 1.915 -3.923 -1.274 121 HZ2 LYS 17 2HZ LYS 17 0.323 -4.082 -1.582 122 H21 ACA 18 1HA ACA 18 -2.255 8.064 -0.820 123 H22 ACA 18 2HA ACA 18 -0.918 8.663 0.143 124 H31 ACA 18 2HB ACA 18 0.495 7.597 -1.278 125 H32 ACA 18 3HB ACA 18 0.051 8.762 -2.508 126 H41 ACA 18 2HG ACA 18 -0.921 7.103 -3.706 127 H42 ACA 18 3HG ACA 18 -2.088 6.874 -2.420 128 H51 ACA 18 2HD ACA 18 0.571 5.450 -2.807 129 H52 ACA 18 3HD ACA 18 -1.029 4.739 -2.730 130 H61 ACA 18 2HE ACA 18 0.831 5.441 -0.665 131 H62 ACA 18 3HE ACA 18 -0.977 6.413 -0.002 132 HN61 ACA 18 HN ACA 18 -1.623 3.790 -0.636 133 H LYS 19 HN LYS 19 -1.716 10.904 0.578 134 HA LYS 19 HA LYS 19 -3.891 11.067 -1.391 135 HB2 LYS 19 2HB LYS 19 -3.995 11.158 1.639 136 HB3 LYS 19 3HB LYS 19 -5.364 11.449 0.585 137 HG2 LYS 19 2HG LYS 19 -4.294 9.039 -0.392 138 HG3 LYS 19 3HG LYS 19 -4.098 8.895 1.344 139 HD2 LYS 19 2HD LYS 19 -6.702 9.529 -0.123 140 HD3 LYS 19 3HD LYS 19 -6.298 8.008 0.650 141 HE2 LYS 19 2HE LYS 19 -6.407 10.654 2.168 142 HE3 LYS 19 3HE LYS 19 -7.792 9.590 2.015 143 HZ1 LYS 19 1HZ LYS 19 -5.649 8.009 2.847 144 HZ2 LYS 19 2HZ LYS 19 -5.613 9.338 3.788 145 H ASN 20 HN ASN 20 -2.138 12.866 1.226 146 HA ASN 20 HA ASN 20 -2.925 15.291 -0.183 147 HB2 ASN 20 2HB ASN 20 -3.262 14.654 2.502 148 HB3 ASN 20 3HB ASN 20 -1.746 15.530 2.553 149 HD21 ASN 20 1HD2 ASN 20 -5.138 15.687 2.154 150 HD22 ASN 20 2HD2 ASN 20 -5.317 17.396 1.939 151 H GLU 21 HN GLU 21 -1.203 17.000 -0.344 152 HA GLU 21 HA GLU 21 1.161 16.079 -1.266 153 HB2 GLU 21 2HB GLU 21 0.000 18.486 -1.243 154 HB3 GLU 21 3HB GLU 21 1.094 18.769 0.096 155 HG2 GLU 21 2HG GLU 21 2.812 17.599 -1.714 156 HG3 GLU 21 3HG GLU 21 1.701 18.404 -2.804 157 HE2 GLU 21 2HE GLU 21 2.752 20.947 -2.953 158 H GLN 22 HN GLN 22 0.257 16.955 2.092 159 HA GLN 22 HA GLN 22 2.801 16.995 3.148 160 HB2 GLN 22 2HB GLN 22 0.255 17.398 4.107 161 HB3 GLN 22 3HB GLN 22 0.651 15.878 4.883 162 HG2 GLN 22 2HG GLN 22 1.583 17.295 6.453 163 HG3 GLN 22 3HG GLN 22 2.971 17.159 5.392 164 HE21 GLN 22 1HE2 GLN 22 3.903 19.077 5.496 165 HE22 GLN 22 2HE2 GLN 22 3.164 20.603 5.141 166 H GLU 23 HN GLU 23 0.405 14.276 2.914 167 HA GLU 23 HA GLU 23 1.918 12.388 4.175 168 HB2 GLU 23 2HB GLU 23 -0.396 12.444 2.358 169 HB3 GLU 23 3HB GLU 23 0.556 10.986 2.160 170 HG2 GLU 23 2HG GLU 23 0.146 10.243 4.336 171 HG3 GLU 23 3HG GLU 23 -0.012 11.866 4.980 172 HE2 GLU 23 2HE GLU 23 -3.165 9.830 4.015 173 H LEU 24 HN LEU 24 2.114 13.652 0.843 174 HA LEU 24 HA LEU 24 3.831 11.593 -0.095 175 HB2 LEU 24 2HB LEU 24 2.946 14.277 -1.101 176 HB3 LEU 24 3HB LEU 24 4.243 13.414 -1.902 177 HG LEU 24 HG LEU 24 1.782 13.182 -2.739 178 HD11 LEU 24 1HD1 LEU 24 3.055 11.867 -4.026 179 HD12 LEU 24 2HD1 LEU 24 4.024 11.285 -2.651 180 HD13 LEU 24 3HD1 LEU 24 2.447 10.539 -3.008 181 HD21 LEU 24 1HD2 LEU 24 1.813 11.289 -0.381 182 HD22 LEU 24 2HD2 LEU 24 0.653 12.591 -0.742 183 HD23 LEU 24 3HD2 LEU 24 0.690 11.127 -1.753 184 H LEU 25 HN LEU 25 4.251 14.820 1.417 185 HA LEU 25 HA LEU 25 6.993 15.038 0.943 186 HB2 LEU 25 2HB LEU 25 4.934 16.362 2.525 187 HB3 LEU 25 3HB LEU 25 6.489 16.348 3.335 188 HG LEU 25 HG LEU 25 6.392 17.194 0.463 189 HD11 LEU 25 1HD1 LEU 25 5.679 19.077 2.723 190 HD12 LEU 25 2HD1 LEU 25 5.758 19.440 0.982 191 HD13 LEU 25 3HD1 LEU 25 4.494 18.354 1.609 192 HD21 LEU 25 1HD2 LEU 25 8.057 18.904 1.717 193 HD22 LEU 25 2HD2 LEU 25 8.185 17.499 2.802 194 HD23 LEU 25 3HD2 LEU 25 8.561 17.324 1.071 195 H GLU 26 HN GLU 26 5.080 13.333 3.439 196 HA GLU 26 HA GLU 26 7.344 12.784 5.033 197 HB2 GLU 26 2HB GLU 26 4.487 12.411 5.174 198 HB3 GLU 26 3HB GLU 26 5.250 10.867 5.500 199 HG2 GLU 26 2HG GLU 26 6.488 13.241 6.846 200 HG3 GLU 26 3HG GLU 26 4.885 12.801 7.398 201 HE2 GLU 26 2HE GLU 26 7.147 11.778 9.373 202 H LEU 27 HN LEU 27 5.524 11.067 2.448 203 HA LEU 27 HA LEU 27 6.781 8.594 2.737 204 HB2 LEU 27 2HB LEU 27 4.727 9.538 1.298 205 HB3 LEU 27 3HB LEU 27 5.950 9.524 0.043 206 HG LEU 27 HG LEU 27 4.611 7.478 0.036 207 HD11 LEU 27 1HD1 LEU 27 7.490 7.016 0.863 208 HD12 LEU 27 2HD1 LEU 27 6.445 5.842 0.028 209 HD13 LEU 27 3HD1 LEU 27 6.898 7.362 -0.780 210 HD21 LEU 27 1HD2 LEU 27 5.805 6.493 2.584 211 HD22 LEU 27 2HD2 LEU 27 4.441 7.633 2.688 212 HD23 LEU 27 3HD2 LEU 27 4.252 6.097 1.808 213 H ASP 28 HN ASP 28 7.809 11.660 1.286 214 HA ASP 28 HA ASP 28 9.781 10.662 -0.360 215 HB2 ASP 28 2HB ASP 28 8.978 13.017 -0.370 216 HB3 ASP 28 3HB ASP 28 9.675 13.276 1.218 217 HD2 ASP 28 2HD ASP 28 10.778 15.002 -0.762 218 H LYS 29 HN LYS 29 9.798 11.769 3.100 219 HA LYS 29 HA LYS 29 12.548 11.360 3.504 220 HB2 LYS 29 2HB LYS 29 10.278 11.421 5.516 221 HB3 LYS 29 3HB LYS 29 11.984 11.583 5.886 222 HG2 LYS 29 2HG LYS 29 12.093 13.620 4.414 223 HG3 LYS 29 3HG LYS 29 10.377 13.468 4.094 224 HD2 LYS 29 2HD LYS 29 9.924 14.629 5.985 225 HD3 LYS 29 3HD LYS 29 10.670 13.363 6.939 226 HE2 LYS 29 2HE LYS 29 11.804 15.466 7.440 227 HE3 LYS 29 3HE LYS 29 12.919 14.438 6.563 228 HZ1 LYS 29 1HZ LYS 29 13.028 15.975 4.947 229 HZ2 LYS 29 2HZ LYS 29 11.413 15.991 4.731 230 H TRP 30 HN TRP 30 9.717 9.228 3.500 231 HA TRP 30 HA TRP 30 10.872 7.126 4.971 232 HB2 TRP 30 2HB TRP 30 8.483 7.325 4.647 233 HB3 TRP 30 3HB TRP 30 8.661 7.161 2.911 234 HD1 TRP 30 1HD TRP 30 8.651 5.042 6.109 235 HE1 TRP 30 1HE TRP 30 8.531 2.463 5.561 236 HE3 TRP 30 3HE TRP 30 9.350 5.539 1.096 237 HZ2 TRP 30 2HZ TRP 30 8.738 0.955 3.148 238 HZ3 TRP 30 3HZ TRP 30 9.377 3.463 -0.283 239 HH2 TRP 30 2HH TRP 30 9.086 1.229 0.666 240 H ALA 31 HN ALA 31 10.271 7.440 1.390 241 HA ALA 31 HA ALA 31 11.849 5.308 0.642 242 HB1 ALA 31 1HB ALA 31 11.557 7.837 -0.999 243 HB2 ALA 31 2HB ALA 31 11.593 6.145 -1.551 244 HB3 ALA 31 3HB ALA 31 10.167 6.769 -0.687 245 H SER 32 HN SER 32 12.720 8.571 1.695 246 HA SER 32 HA SER 32 15.161 8.850 0.547 247 HB2 SER 32 2HB SER 32 13.752 10.341 2.251 248 HB3 SER 32 3HB SER 32 14.792 9.598 3.450 249 HG SER 32 HG SER 32 16.268 11.033 2.893 250 H LEU 33 HN LEU 33 14.129 6.739 3.221 251 HA LEU 33 HA LEU 33 16.548 6.192 4.403 252 HB2 LEU 33 2HB LEU 33 15.528 4.206 5.228 253 HB3 LEU 33 3HB LEU 33 14.347 5.500 5.229 254 HG LEU 33 HG LEU 33 13.750 4.400 2.845 255 HD11 LEU 33 1HD1 LEU 33 13.947 2.039 2.812 256 HD12 LEU 33 2HD1 LEU 33 15.566 2.678 3.187 257 HD13 LEU 33 3HD1 LEU 33 14.558 1.992 4.484 258 HD21 LEU 33 1HD2 LEU 33 12.525 2.893 5.054 259 HD22 LEU 33 2HD2 LEU 33 12.527 4.659 5.276 260 HD23 LEU 33 3HD2 LEU 33 11.787 3.945 3.823 261 H TRP 34 HN TRP 34 15.168 5.037 1.315 262 HA TRP 34 HA TRP 34 17.074 2.997 0.908 263 HB2 TRP 34 2HB TRP 34 15.173 4.493 -0.882 264 HB3 TRP 34 3HB TRP 34 16.315 3.331 -1.529 265 HD1 TRP 34 1HD TRP 34 13.374 3.397 1.032 266 HE1 TRP 34 1HE TRP 34 12.191 1.040 1.147 267 HE3 TRP 34 3HE TRP 34 16.620 1.028 -2.084 268 HZ2 TRP 34 2HZ TRP 34 12.733 -1.492 -0.050 269 HZ3 TRP 34 3HZ TRP 34 16.222 -1.387 -2.559 270 HH2 TRP 34 2HH TRP 34 14.358 -2.643 -1.598 271 H ASN 35 HN ASN 35 16.750 6.424 -0.266 272 HA ASN 35 HA ASN 35 19.619 6.317 -0.783 273 HB2 ASN 35 2HB ASN 35 18.525 8.483 -2.264 274 HB3 ASN 35 3HB ASN 35 19.120 6.969 -2.916 275 HD21 ASN 35 1HD2 ASN 35 16.279 8.402 -1.331 276 HD22 ASN 35 2HD2 ASN 35 15.068 7.536 -2.217 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -27.981 -4.961 -8.012 2 HA2 GLY 1 1HA GLY 1 -26.950 -6.199 -5.648 3 HA3 GLY 1 2HA GLY 1 -25.728 -6.055 -6.896 4 H ILE 2 HN ILE 2 -27.628 -4.379 -4.490 5 HA ILE 2 HA ILE 2 -26.629 -1.799 -5.449 6 HB ILE 2 HB ILE 2 -28.895 -2.626 -3.662 7 HG12 ILE 2 2HG1 ILE 2 -29.394 -0.532 -5.603 8 HG13 ILE 2 3HG1 ILE 2 -28.670 -1.927 -6.379 9 HG21 ILE 2 1HG2 ILE 2 -29.062 0.081 -3.614 10 HG22 ILE 2 2HG2 ILE 2 -28.360 -0.908 -2.312 11 HG23 ILE 2 3HG2 ILE 2 -27.299 -0.144 -3.520 12 HD11 ILE 2 1HD1 ILE 2 -30.447 -3.338 -5.843 13 HD12 ILE 2 2HD1 ILE 2 -30.871 -2.418 -4.379 14 HD13 ILE 2 3HD1 ILE 2 -31.308 -1.786 -5.984 15 H GLY 3 HN GLY 3 -24.751 -1.099 -4.600 16 HA2 GLY 3 1HA GLY 3 -24.144 -0.628 -2.034 17 HA3 GLY 3 2HA GLY 3 -23.736 -2.327 -2.175 18 H ALA 4 HN ALA 4 -23.466 0.374 -4.587 19 HA ALA 4 HA ALA 4 -20.915 -0.504 -5.424 20 HB1 ALA 4 1HB ALA 4 -20.971 1.669 -6.701 21 HB2 ALA 4 2HB ALA 4 -22.406 0.645 -6.945 22 HB3 ALA 4 3HB ALA 4 -22.495 2.059 -5.867 23 H PHE 5 HN PHE 5 -21.990 1.183 -2.643 24 HA PHE 5 HA PHE 5 -19.693 2.872 -2.386 25 HB2 PHE 5 2HB PHE 5 -22.226 2.924 -1.425 26 HB3 PHE 5 3HB PHE 5 -21.539 1.951 -0.141 27 HD1 PHE 5 1HD PHE 5 -20.764 3.052 1.726 28 HD2 PHE 5 2HD PHE 5 -20.784 5.116 -1.982 29 HE1 PHE 5 1HE PHE 5 -19.969 5.134 2.881 30 HE2 PHE 5 2HE PHE 5 -19.989 7.197 -0.827 31 HZ PHE 5 HZ PHE 5 -19.592 7.183 1.591 32 H GLY 6 HN GLY 6 -20.045 -0.441 -2.238 33 HA2 GLY 6 1HA GLY 6 -18.510 -0.921 0.174 34 HA3 GLY 6 2HA GLY 6 -19.105 -2.103 -0.976 35 H LEU 7 HN LEU 7 -17.976 -0.441 -3.305 36 HA LEU 7 HA LEU 7 -15.463 -1.750 -3.381 37 HB2 LEU 7 2HB LEU 7 -17.061 -1.277 -5.293 38 HB3 LEU 7 3HB LEU 7 -16.491 0.379 -5.251 39 HG LEU 7 HG LEU 7 -14.152 -1.163 -5.356 40 HD11 LEU 7 1HD1 LEU 7 -14.510 -2.562 -7.378 41 HD12 LEU 7 2HD1 LEU 7 -15.370 -3.155 -5.936 42 HD13 LEU 7 3HD1 LEU 7 -16.262 -2.292 -7.213 43 HD21 LEU 7 1HD2 LEU 7 -15.380 -0.010 -7.836 44 HD22 LEU 7 2HD2 LEU 7 -14.946 1.063 -6.484 45 HD23 LEU 7 3HD2 LEU 7 -13.699 0.055 -7.255 46 H LEU 8 HN LEU 8 -16.625 1.487 -2.492 47 HA LEU 8 HA LEU 8 -14.106 2.751 -2.662 48 HB2 LEU 8 2HB LEU 8 -16.682 3.559 -2.376 49 HB3 LEU 8 3HB LEU 8 -16.097 3.769 -0.737 50 HG LEU 8 HG LEU 8 -15.107 5.100 -3.259 51 HD11 LEU 8 1HD1 LEU 8 -16.746 6.476 -2.515 52 HD12 LEU 8 2HD1 LEU 8 -16.608 5.925 -0.829 53 HD13 LEU 8 3HD1 LEU 8 -15.425 7.081 -1.486 54 HD21 LEU 8 1HD2 LEU 8 -13.366 6.187 -1.821 55 HD22 LEU 8 2HD2 LEU 8 -13.731 4.980 -0.565 56 HD23 LEU 8 3HD2 LEU 8 -13.095 4.457 -2.144 57 H GLY 9 HN GLY 9 -15.734 0.709 -0.260 58 HA2 GLY 9 1HA GLY 9 -14.031 1.413 1.925 59 HA3 GLY 9 2HA GLY 9 -15.129 0.050 1.816 60 H PHE 10 HN PHE 10 -13.935 -0.932 -0.774 61 HA PHE 10 HA PHE 10 -11.777 -2.398 0.449 62 HB2 PHE 10 2HB PHE 10 -12.989 -3.862 -0.909 63 HB3 PHE 10 3HB PHE 10 -13.677 -2.545 -1.840 64 HD1 PHE 10 1HD PHE 10 -12.746 -1.903 -3.937 65 HD2 PHE 10 2HD PHE 10 -10.745 -4.760 -1.520 66 HE1 PHE 10 1HE PHE 10 -11.245 -2.481 -5.863 67 HE2 PHE 10 2HE PHE 10 -9.243 -5.338 -3.447 68 HZ PHE 10 HZ PHE 10 -9.512 -4.192 -5.595 69 H LEU 11 HN LEU 11 -12.287 0.142 -2.007 70 HA LEU 11 HA LEU 11 -9.761 -0.061 -3.213 71 HB2 LEU 11 2HB LEU 11 -11.640 1.035 -4.263 72 HB3 LEU 11 3HB LEU 11 -11.716 2.230 -2.984 73 HG LEU 11 HG LEU 11 -9.130 2.533 -3.867 74 HD11 LEU 11 1HD1 LEU 11 -8.833 2.080 -6.043 75 HD12 LEU 11 2HD1 LEU 11 -10.174 0.931 -5.811 76 HD13 LEU 11 3HD1 LEU 11 -10.495 2.550 -6.477 77 HD21 LEU 11 1HD2 LEU 11 -10.437 4.419 -3.397 78 HD22 LEU 11 2HD2 LEU 11 -10.108 4.527 -5.144 79 HD23 LEU 11 3HD2 LEU 11 -11.695 3.957 -4.569 80 H ALA 12 HN ALA 12 -10.993 1.644 -0.309 81 HA ALA 12 HA ALA 12 -8.741 3.247 0.108 82 HB1 ALA 12 1HB ALA 12 -9.633 3.302 2.472 83 HB2 ALA 12 2HB ALA 12 -10.836 3.695 1.222 84 HB3 ALA 12 3HB ALA 12 -10.838 2.087 1.982 85 H ALA 13 HN ALA 13 -9.436 -0.184 0.726 86 HA ALA 13 HA ALA 13 -7.339 -0.591 2.573 87 HB1 ALA 13 1HB ALA 13 -8.310 -2.619 2.690 88 HB2 ALA 13 2HB ALA 13 -9.490 -2.037 1.491 89 HB3 ALA 13 3HB ALA 13 -8.039 -2.917 0.956 90 H GLY 14 HN GLY 14 -7.644 -0.814 -1.013 91 HA2 GLY 14 1HA GLY 14 -5.089 -1.919 -1.476 92 HA3 GLY 14 2HA GLY 14 -6.100 -1.069 -2.627 93 H SER 15 HN SER 15 -6.231 1.346 -0.701 94 HA SER 15 HA SER 15 -4.030 2.670 -1.844 95 HB2 SER 15 2HB SER 15 -6.384 3.352 -0.184 96 HB3 SER 15 3HB SER 15 -4.985 4.348 0.165 97 HG SER 15 HG SER 15 -5.733 3.887 -2.567 98 H LYS 16 HN LYS 16 -4.553 0.822 1.072 99 HA LYS 16 HA LYS 16 -2.837 2.050 2.849 100 HB2 LYS 16 2HB LYS 16 -3.504 -0.885 2.481 101 HB3 LYS 16 3HB LYS 16 -2.662 -0.228 3.870 102 HG2 LYS 16 2HG LYS 16 -5.035 1.370 3.379 103 HG3 LYS 16 3HG LYS 16 -5.493 -0.322 3.406 104 HD2 LYS 16 2HD LYS 16 -4.246 -0.580 5.595 105 HD3 LYS 16 3HD LYS 16 -3.915 1.141 5.576 106 HE2 LYS 16 2HE LYS 16 -6.030 1.675 6.263 107 HE3 LYS 16 3HE LYS 16 -6.776 0.556 5.138 108 HZ1 LYS 16 1HZ LYS 16 -5.714 -0.056 7.830 109 HZ2 LYS 16 2HZ LYS 16 -7.220 -0.316 7.268 110 H LYS 17 HN LYS 17 -2.179 0.344 -0.141 111 HA LYS 17 HA LYS 17 0.627 0.044 0.587 112 HB2 LYS 17 2HB LYS 17 -1.223 -1.256 -1.293 113 HB3 LYS 17 3HB LYS 17 0.339 -0.888 -1.996 114 HG2 LYS 17 2HG LYS 17 1.455 -2.000 -0.025 115 HG3 LYS 17 3HG LYS 17 -0.123 -2.420 0.608 116 HD2 LYS 17 2HD LYS 17 -0.453 -4.100 -0.937 117 HD3 LYS 17 3HD LYS 17 0.313 -3.205 -2.234 118 HE2 LYS 17 2HE LYS 17 2.534 -3.641 -0.807 119 HE3 LYS 17 3HE LYS 17 1.593 -4.951 -0.122 120 HZ1 LYS 17 1HZ LYS 17 2.951 -5.350 -2.290 121 HZ2 LYS 17 2HZ LYS 17 1.468 -6.014 -2.171 122 H21 ACA 18 1HA ACA 18 3.861 4.518 -6.919 123 H22 ACA 18 2HA ACA 18 4.199 2.870 -6.426 124 H31 ACA 18 2HB ACA 18 1.470 4.029 -5.824 125 H32 ACA 18 3HB ACA 18 2.827 4.528 -4.834 126 H41 ACA 18 2HG ACA 18 3.326 1.933 -4.657 127 H42 ACA 18 3HG ACA 18 1.661 1.750 -5.172 128 H51 ACA 18 2HD ACA 18 2.188 3.702 -2.946 129 H52 ACA 18 3HD ACA 18 2.361 2.001 -2.565 130 H61 ACA 18 2HE ACA 18 0.070 3.511 -2.673 131 H62 ACA 18 3HE ACA 18 -0.319 2.440 -4.504 132 HN61 ACA 18 HN ACA 18 -0.497 0.721 -2.717 133 H LYS 19 HN LYS 19 2.250 4.870 -8.740 134 HA LYS 19 HA LYS 19 0.124 3.177 -7.742 135 HB2 LYS 19 2HB LYS 19 0.404 5.968 -8.695 136 HB3 LYS 19 3HB LYS 19 -1.108 5.187 -9.109 137 HG2 LYS 19 2HG LYS 19 -1.128 4.413 -6.585 138 HG3 LYS 19 3HG LYS 19 0.062 5.678 -6.352 139 HD2 LYS 19 2HD LYS 19 -1.976 6.796 -5.928 140 HD3 LYS 19 3HD LYS 19 -1.627 7.244 -7.586 141 HE2 LYS 19 2HE LYS 19 -3.051 4.803 -7.796 142 HE3 LYS 19 3HE LYS 19 -3.874 5.681 -6.522 143 HZ1 LYS 19 1HZ LYS 19 -4.808 6.354 -8.608 144 HZ2 LYS 19 2HZ LYS 19 -3.932 7.624 -8.088 145 H ASN 20 HN ASN 20 1.829 3.979 -10.756 146 HA ASN 20 HA ASN 20 0.026 2.114 -12.090 147 HB2 ASN 20 2HB ASN 20 1.026 4.789 -12.868 148 HB3 ASN 20 3HB ASN 20 1.354 3.588 -14.102 149 HD21 ASN 20 1HD2 ASN 20 -0.194 3.014 -15.446 150 HD22 ASN 20 2HD2 ASN 20 -1.880 3.383 -15.301 151 H GLU 21 HN GLU 21 1.063 0.333 -13.077 152 HA GLU 21 HA GLU 21 3.722 -0.151 -12.420 153 HB2 GLU 21 2HB GLU 21 2.180 -1.581 -14.616 154 HB3 GLU 21 3HB GLU 21 3.446 -2.234 -13.594 155 HG2 GLU 21 2HG GLU 21 1.842 -2.956 -12.165 156 HG3 GLU 21 3HG GLU 21 1.494 -1.282 -11.777 157 HE2 GLU 21 2HE GLU 21 -1.269 -2.427 -12.082 158 H GLN 22 HN GLN 22 2.102 1.042 -15.397 159 HA GLN 22 HA GLN 22 4.306 0.811 -17.059 160 HB2 GLN 22 2HB GLN 22 1.657 1.622 -17.312 161 HB3 GLN 22 3HB GLN 22 2.529 3.113 -17.611 162 HG2 GLN 22 2HG GLN 22 3.805 2.118 -19.417 163 HG3 GLN 22 3HG GLN 22 3.278 0.502 -18.991 164 HE21 GLN 22 1HE2 GLN 22 2.916 1.005 -21.476 165 HE22 GLN 22 2HE2 GLN 22 1.283 1.392 -21.905 166 H GLU 23 HN GLU 23 3.099 3.561 -15.031 167 HA GLU 23 HA GLU 23 4.922 5.425 -15.826 168 HB2 GLU 23 2HB GLU 23 3.821 6.655 -14.286 169 HB3 GLU 23 3HB GLU 23 2.916 5.212 -13.876 170 HG2 GLU 23 2HG GLU 23 4.754 4.589 -12.239 171 HG3 GLU 23 3HG GLU 23 5.534 6.119 -12.589 172 HE2 GLU 23 2HE GLU 23 4.735 5.687 -10.097 173 H LEU 24 HN LEU 24 5.316 2.606 -13.712 174 HA LEU 24 HA LEU 24 7.767 3.507 -12.565 175 HB2 LEU 24 2HB LEU 24 5.886 1.468 -12.117 176 HB3 LEU 24 3HB LEU 24 7.382 0.646 -12.517 177 HG LEU 24 HG LEU 24 7.234 0.890 -10.135 178 HD11 LEU 24 1HD1 LEU 24 9.224 2.995 -10.409 179 HD12 LEU 24 2HD1 LEU 24 9.413 1.291 -9.930 180 HD13 LEU 24 3HD1 LEU 24 9.400 1.735 -11.654 181 HD21 LEU 24 1HD2 LEU 24 6.684 2.777 -8.962 182 HD22 LEU 24 2HD2 LEU 24 7.279 3.879 -10.227 183 HD23 LEU 24 3HD2 LEU 24 5.729 3.032 -10.442 184 H LEU 25 HN LEU 25 6.834 1.168 -15.173 185 HA LEU 25 HA LEU 25 9.403 0.381 -15.823 186 HB2 LEU 25 2HB LEU 25 7.701 -0.909 -16.683 187 HB3 LEU 25 3HB LEU 25 6.778 0.471 -17.245 188 HG LEU 25 HG LEU 25 8.445 0.836 -19.048 189 HD11 LEU 25 1HD1 LEU 25 10.117 -0.735 -17.521 190 HD12 LEU 25 2HD1 LEU 25 9.657 -1.820 -18.855 191 HD13 LEU 25 3HD1 LEU 25 10.395 -0.238 -19.207 192 HD21 LEU 25 1HD2 LEU 25 7.055 -1.844 -18.891 193 HD22 LEU 25 2HD2 LEU 25 6.481 -0.342 -19.655 194 HD23 LEU 25 3HD2 LEU 25 7.845 -1.237 -20.367 195 H GLU 26 HN GLU 26 7.578 3.338 -16.607 196 HA GLU 26 HA GLU 26 9.256 4.159 -18.680 197 HB2 GLU 26 2HB GLU 26 7.209 5.471 -16.903 198 HB3 GLU 26 3HB GLU 26 8.265 6.509 -17.840 199 HG2 GLU 26 2HG GLU 26 6.633 4.222 -19.039 200 HG3 GLU 26 3HG GLU 26 6.095 5.890 -19.009 201 HE2 GLU 26 2HE GLU 26 6.107 5.465 -21.186 202 H LEU 27 HN LEU 27 9.370 4.484 -15.121 203 HA LEU 27 HA LEU 27 11.539 6.362 -15.217 204 HB2 LEU 27 2HB LEU 27 9.601 5.619 -13.371 205 HB3 LEU 27 3HB LEU 27 11.088 4.995 -12.688 206 HG LEU 27 HG LEU 27 10.624 7.205 -11.820 207 HD11 LEU 27 1HD1 LEU 27 12.877 7.882 -13.621 208 HD12 LEU 27 2HD1 LEU 27 12.771 7.898 -11.845 209 HD13 LEU 27 3HD1 LEU 27 13.029 6.362 -12.707 210 HD21 LEU 27 1HD2 LEU 27 10.064 9.050 -13.018 211 HD22 LEU 27 2HD2 LEU 27 11.032 8.571 -14.433 212 HD23 LEU 27 3HD2 LEU 27 9.447 7.812 -14.138 213 H ASP 28 HN ASP 28 11.068 2.856 -15.111 214 HA ASP 28 HA ASP 28 13.568 2.205 -14.100 215 HB2 ASP 28 2HB ASP 28 11.341 0.800 -14.743 216 HB3 ASP 28 3HB ASP 28 12.274 0.462 -16.188 217 HD2 ASP 28 2HD ASP 28 12.922 -1.727 -13.084 218 H LYS 29 HN LYS 29 12.254 2.289 -17.505 219 HA LYS 29 HA LYS 29 14.648 1.705 -18.781 220 HB2 LYS 29 2HB LYS 29 13.541 2.616 -20.787 221 HB3 LYS 29 3HB LYS 29 12.514 1.513 -19.893 222 HG2 LYS 29 2HG LYS 29 11.019 3.268 -20.254 223 HG3 LYS 29 3HG LYS 29 11.658 3.725 -18.688 224 HD2 LYS 29 2HD LYS 29 12.187 5.722 -19.643 225 HD3 LYS 29 3HD LYS 29 13.508 4.875 -20.425 226 HE2 LYS 29 2HE LYS 29 11.086 4.372 -21.933 227 HE3 LYS 29 3HE LYS 29 11.215 6.098 -21.657 228 HZ1 LYS 29 1HZ LYS 29 13.617 4.655 -22.543 229 HZ2 LYS 29 2HZ LYS 29 12.472 4.994 -23.650 230 H TRP 30 HN TRP 30 13.295 4.775 -17.533 231 HA TRP 30 HA TRP 30 15.090 6.490 -18.814 232 HB2 TRP 30 2HB TRP 30 13.043 7.260 -17.780 233 HB3 TRP 30 3HB TRP 30 13.602 6.759 -16.196 234 HD1 TRP 30 1HD TRP 30 14.070 9.576 -18.757 235 HE1 TRP 30 1HE TRP 30 15.385 11.617 -17.724 236 HE3 TRP 30 3HE TRP 30 15.346 7.236 -14.428 237 HZ2 TRP 30 2HZ TRP 30 16.779 12.014 -15.266 238 HZ3 TRP 30 3HZ TRP 30 16.685 8.521 -12.764 239 HH2 TRP 30 2HH TRP 30 17.399 10.830 -13.127 240 H ALA 31 HN ALA 31 15.098 5.332 -15.357 241 HA ALA 31 HA ALA 31 17.649 6.192 -14.767 242 HB1 ALA 31 1HB ALA 31 15.719 4.172 -13.693 243 HB2 ALA 31 2HB ALA 31 17.402 4.080 -13.123 244 HB3 ALA 31 3HB ALA 31 16.466 5.576 -12.894 245 H SER 32 HN SER 32 16.522 3.412 -16.643 246 HA SER 32 HA SER 32 18.646 1.741 -16.417 247 HB2 SER 32 2HB SER 32 16.395 1.609 -17.802 248 HB3 SER 32 3HB SER 32 17.370 2.238 -19.116 249 HG SER 32 HG SER 32 17.340 -0.088 -19.120 250 H LEU 33 HN LEU 33 18.351 4.828 -18.165 251 HA LEU 33 HA LEU 33 20.440 4.613 -19.938 252 HB2 LEU 33 2HB LEU 33 20.440 6.993 -19.998 253 HB3 LEU 33 3HB LEU 33 18.788 6.421 -19.863 254 HG LEU 33 HG LEU 33 19.295 6.835 -17.251 255 HD11 LEU 33 1HD1 LEU 33 20.668 8.723 -16.838 256 HD12 LEU 33 2HD1 LEU 33 21.632 7.599 -17.826 257 HD13 LEU 33 3HD1 LEU 33 20.892 9.034 -18.576 258 HD21 LEU 33 1HD2 LEU 33 18.610 9.300 -18.770 259 HD22 LEU 33 2HD2 LEU 33 17.601 7.860 -19.049 260 HD23 LEU 33 3HD2 LEU 33 17.780 8.517 -17.404 261 H TRP 34 HN TRP 34 20.467 5.473 -16.434 262 HA TRP 34 HA TRP 34 23.129 6.177 -16.239 263 HB2 TRP 34 2HB TRP 34 21.289 4.851 -14.243 264 HB3 TRP 34 3HB TRP 34 22.882 5.463 -13.847 265 HD1 TRP 34 1HD TRP 34 19.512 6.866 -15.233 266 HE1 TRP 34 1HE TRP 34 19.177 9.375 -14.487 267 HE3 TRP 34 3HE TRP 34 24.035 7.344 -12.959 268 HZ2 TRP 34 2HZ TRP 34 20.805 11.236 -13.061 269 HZ3 TRP 34 3HZ TRP 34 24.583 9.539 -11.914 270 HH2 TRP 34 2HH TRP 34 23.054 11.445 -11.940 271 H ASN 35 HN ASN 35 21.551 2.941 -15.687 272 HA ASN 35 HA ASN 35 24.138 1.721 -15.681 273 HB2 ASN 35 2HB ASN 35 21.501 0.206 -15.757 274 HB3 ASN 35 3HB ASN 35 22.998 -0.263 -14.976 275 HD21 ASN 35 1HD2 ASN 35 20.005 1.309 -14.677 276 HD22 ASN 35 2HD2 ASN 35 20.154 1.915 -13.062 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -28.392 -3.917 -1.622 2 HA2 GLY 1 1HA GLY 1 -28.080 -6.248 -2.385 3 HA3 GLY 1 2HA GLY 1 -29.178 -5.874 -3.699 4 H ILE 2 HN ILE 2 -27.803 -2.967 -3.469 5 HA ILE 2 HA ILE 2 -25.739 -3.663 -5.407 6 HB ILE 2 HB ILE 2 -27.227 -1.128 -4.759 7 HG12 ILE 2 2HG1 ILE 2 -27.049 -2.781 -7.294 8 HG13 ILE 2 3HG1 ILE 2 -28.370 -2.839 -6.144 9 HG21 ILE 2 1HG2 ILE 2 -24.563 -1.401 -5.863 10 HG22 ILE 2 2HG2 ILE 2 -25.677 -0.662 -7.038 11 HG23 ILE 2 3HG2 ILE 2 -25.475 0.063 -5.425 12 HD11 ILE 2 1HD1 ILE 2 -29.287 -0.909 -6.931 13 HD12 ILE 2 2HD1 ILE 2 -27.712 -0.080 -6.968 14 HD13 ILE 2 3HD1 ILE 2 -28.202 -1.119 -8.326 15 H GLY 3 HN GLY 3 -25.833 -0.796 -3.250 16 HA2 GLY 3 1HA GLY 3 -24.361 -0.021 -1.738 17 HA3 GLY 3 2HA GLY 3 -23.937 -1.682 -1.377 18 H ALA 4 HN ALA 4 -23.405 0.899 -3.871 19 HA ALA 4 HA ALA 4 -21.066 -0.359 -4.886 20 HB1 ALA 4 1HB ALA 4 -22.783 1.890 -5.487 21 HB2 ALA 4 2HB ALA 4 -21.081 2.408 -5.521 22 HB3 ALA 4 3HB ALA 4 -21.619 1.053 -6.542 23 H PHE 5 HN PHE 5 -21.826 1.662 -2.134 24 HA PHE 5 HA PHE 5 -19.365 2.948 -1.842 25 HB2 PHE 5 2HB PHE 5 -21.561 1.958 0.065 26 HB3 PHE 5 3HB PHE 5 -20.227 2.942 0.637 27 HD1 PHE 5 1HD PHE 5 -22.438 4.243 1.337 28 HD2 PHE 5 2HD PHE 5 -20.941 3.971 -2.625 29 HE1 PHE 5 1HE PHE 5 -23.703 6.320 0.717 30 HE2 PHE 5 2HE PHE 5 -22.206 6.049 -3.245 31 HZ PHE 5 HZ PHE 5 -23.572 7.198 -1.568 32 H GLY 6 HN GLY 6 -20.305 -0.387 -1.439 33 HA2 GLY 6 1HA GLY 6 -18.504 -1.152 0.596 34 HA3 GLY 6 2HA GLY 6 -19.252 -2.190 -0.600 35 H LEU 7 HN LEU 7 -18.288 -1.176 -3.032 36 HA LEU 7 HA LEU 7 -15.697 -2.284 -3.057 37 HB2 LEU 7 2HB LEU 7 -17.463 -2.274 -4.882 38 HB3 LEU 7 3HB LEU 7 -16.987 -0.621 -5.214 39 HG LEU 7 HG LEU 7 -14.648 -2.322 -5.148 40 HD11 LEU 7 1HD1 LEU 7 -15.064 -3.983 -6.659 41 HD12 LEU 7 2HD1 LEU 7 -16.647 -3.913 -5.845 42 HD13 LEU 7 3HD1 LEU 7 -16.420 -3.113 -7.418 43 HD21 LEU 7 1HD2 LEU 7 -15.635 -1.114 -7.679 44 HD22 LEU 7 2HD2 LEU 7 -15.310 -0.011 -6.320 45 HD23 LEU 7 3HD2 LEU 7 -14.020 -1.073 -6.933 46 H LEU 8 HN LEU 8 -16.999 0.998 -2.703 47 HA LEU 8 HA LEU 8 -14.743 2.438 -3.419 48 HB2 LEU 8 2HB LEU 8 -17.071 3.267 -2.969 49 HB3 LEU 8 3HB LEU 8 -16.730 3.132 -1.255 50 HG LEU 8 HG LEU 8 -14.845 4.746 -1.538 51 HD11 LEU 8 1HD1 LEU 8 -14.224 4.516 -3.804 52 HD12 LEU 8 2HD1 LEU 8 -15.878 4.838 -4.376 53 HD13 LEU 8 3HD1 LEU 8 -14.914 6.149 -3.652 54 HD21 LEU 8 1HD2 LEU 8 -17.163 6.247 -2.595 55 HD22 LEU 8 2HD2 LEU 8 -17.483 5.235 -1.165 56 HD23 LEU 8 3HD2 LEU 8 -16.212 6.481 -1.107 57 H GLY 9 HN GLY 9 -15.650 0.831 -0.326 58 HA2 GLY 9 1HA GLY 9 -13.445 1.829 1.155 59 HA3 GLY 9 2HA GLY 9 -14.472 0.466 1.560 60 H PHE 10 HN PHE 10 -13.979 -0.995 -0.996 61 HA PHE 10 HA PHE 10 -11.658 -2.375 -0.161 62 HB2 PHE 10 2HB PHE 10 -13.224 -3.736 -1.290 63 HB3 PHE 10 3HB PHE 10 -13.760 -2.423 -2.319 64 HD1 PHE 10 1HD PHE 10 -11.190 -5.020 -1.877 65 HD2 PHE 10 2HD PHE 10 -12.768 -2.052 -4.467 66 HE1 PHE 10 1HE PHE 10 -9.840 -5.957 -3.774 67 HE2 PHE 10 2HE PHE 10 -11.417 -2.989 -6.364 68 HZ PHE 10 HZ PHE 10 -9.970 -4.931 -5.995 69 H LEU 11 HN LEU 11 -12.352 0.174 -2.552 70 HA LEU 11 HA LEU 11 -9.930 -0.181 -3.993 71 HB2 LEU 11 2HB LEU 11 -11.963 0.808 -4.941 72 HB3 LEU 11 3HB LEU 11 -11.832 2.162 -3.837 73 HG LEU 11 HG LEU 11 -9.383 2.261 -5.030 74 HD11 LEU 11 1HD1 LEU 11 -10.276 2.115 -7.573 75 HD12 LEU 11 2HD1 LEU 11 -9.412 0.797 -6.746 76 HD13 LEU 11 3HD1 LEU 11 -11.189 0.772 -6.844 77 HD21 LEU 11 1HD2 LEU 11 -11.993 3.589 -5.770 78 HD22 LEU 11 2HD2 LEU 11 -10.674 4.211 -4.749 79 HD23 LEU 11 3HD2 LEU 11 -10.438 4.046 -6.506 80 H ALA 12 HN ALA 12 -11.020 1.855 -1.234 81 HA ALA 12 HA ALA 12 -8.545 3.278 -1.124 82 HB1 ALA 12 1HB ALA 12 -11.148 3.203 0.296 83 HB2 ALA 12 2HB ALA 12 -9.755 3.661 1.304 84 HB3 ALA 12 3HB ALA 12 -10.135 4.592 -0.165 85 H ALA 13 HN ALA 13 -9.787 0.199 0.015 86 HA ALA 13 HA ALA 13 -8.206 -0.139 2.280 87 HB1 ALA 13 1HB ALA 13 -8.518 -2.635 1.596 88 HB2 ALA 13 2HB ALA 13 -9.965 -1.667 1.963 89 HB3 ALA 13 3HB ALA 13 -9.513 -1.985 0.271 90 H GLY 14 HN GLY 14 -7.429 -0.081 -1.146 91 HA2 GLY 14 1HA GLY 14 -5.150 -1.685 -1.208 92 HA3 GLY 14 2HA GLY 14 -5.494 -0.326 -2.259 93 H SER 15 HN SER 15 -5.714 1.582 0.105 94 HA SER 15 HA SER 15 -2.936 2.183 0.181 95 HB2 SER 15 2HB SER 15 -5.116 3.602 1.752 96 HB3 SER 15 3HB SER 15 -3.599 4.265 1.175 97 HG SER 15 HG SER 15 -4.425 3.901 -1.048 98 H LYS 16 HN LYS 16 -5.309 0.557 2.204 99 HA LYS 16 HA LYS 16 -3.835 0.903 4.637 100 HB2 LYS 16 2HB LYS 16 -6.206 -0.832 3.892 101 HB3 LYS 16 3HB LYS 16 -5.519 -0.752 5.502 102 HG2 LYS 16 2HG LYS 16 -6.157 1.875 4.197 103 HG3 LYS 16 3HG LYS 16 -7.527 0.885 4.662 104 HD2 LYS 16 2HD LYS 16 -5.254 1.743 6.515 105 HD3 LYS 16 3HD LYS 16 -6.862 2.441 6.490 106 HE2 LYS 16 2HE LYS 16 -6.021 -0.331 7.395 107 HE3 LYS 16 3HE LYS 16 -6.950 0.868 8.273 108 HZ1 LYS 16 1HZ LYS 16 -8.240 -1.057 7.249 109 HZ2 LYS 16 2HZ LYS 16 -8.845 0.426 6.952 110 H LYS 17 HN LYS 17 -4.589 -1.930 2.483 111 HA LYS 17 HA LYS 17 -3.055 -3.800 3.678 112 HB2 LYS 17 2HB LYS 17 -2.689 -4.608 1.214 113 HB3 LYS 17 3HB LYS 17 -4.291 -4.604 1.921 114 HG2 LYS 17 2HG LYS 17 -5.048 -2.978 0.502 115 HG3 LYS 17 3HG LYS 17 -3.599 -2.009 0.687 116 HD2 LYS 17 2HD LYS 17 -3.387 -2.635 -1.549 117 HD3 LYS 17 3HD LYS 17 -2.472 -3.919 -0.783 118 HE2 LYS 17 2HE LYS 17 -3.963 -4.993 -2.344 119 HE3 LYS 17 3HE LYS 17 -4.610 -5.317 -0.748 120 HZ1 LYS 17 1HZ LYS 17 -5.750 -3.712 -2.861 121 HZ2 LYS 17 2HZ LYS 17 -6.501 -4.467 -1.629 122 H21 ACA 18 1HA ACA 18 2.157 0.794 -2.625 123 H22 ACA 18 2HA ACA 18 2.380 1.675 -1.127 124 H31 ACA 18 2HB ACA 18 2.678 -0.656 0.002 125 H32 ACA 18 3HB ACA 18 2.045 -1.330 -1.486 126 H41 ACA 18 2HG ACA 18 -0.095 -0.662 -1.026 127 H42 ACA 18 3HG ACA 18 0.415 0.921 -0.477 128 H51 ACA 18 2HD ACA 18 -0.478 -0.121 1.472 129 H52 ACA 18 3HD ACA 18 1.258 -0.240 1.673 130 H61 ACA 18 2HE ACA 18 0.591 -2.440 0.170 131 H62 ACA 18 3HE ACA 18 1.259 -2.706 2.203 132 HN61 ACA 18 HN ACA 18 -1.662 -2.536 0.635 133 H LYS 19 HN LYS 19 4.118 -0.337 -3.605 134 HA LYS 19 HA LYS 19 4.886 -1.837 -1.327 135 HB2 LYS 19 2HB LYS 19 4.951 -2.147 -4.281 136 HB3 LYS 19 3HB LYS 19 6.149 -3.063 -3.387 137 HG2 LYS 19 2HG LYS 19 4.125 -3.739 -1.833 138 HG3 LYS 19 3HG LYS 19 3.125 -3.199 -3.166 139 HD2 LYS 19 2HD LYS 19 5.393 -5.197 -3.557 140 HD3 LYS 19 3HD LYS 19 3.773 -5.706 -3.125 141 HE2 LYS 19 2HE LYS 19 4.010 -3.808 -5.443 142 HE3 LYS 19 3HE LYS 19 4.596 -5.439 -5.704 143 HZ1 LYS 19 1HZ LYS 19 2.400 -5.792 -6.147 144 HZ2 LYS 19 2HZ LYS 19 2.257 -5.955 -4.532 145 H ASN 20 HN ASN 20 6.377 0.667 -3.289 146 HA ASN 20 HA ASN 20 8.477 0.904 -1.484 147 HB2 ASN 20 2HB ASN 20 8.942 -1.041 -3.536 148 HB3 ASN 20 3HB ASN 20 9.871 0.371 -4.002 149 HD21 ASN 20 1HD2 ASN 20 9.603 -2.306 -1.924 150 HD22 ASN 20 2HD2 ASN 20 10.988 -2.033 -0.921 151 H GLU 21 HN GLU 21 10.311 2.426 -2.772 152 HA GLU 21 HA GLU 21 8.826 4.643 -3.618 153 HB2 GLU 21 2HB GLU 21 11.817 4.060 -3.693 154 HB3 GLU 21 3HB GLU 21 11.125 5.623 -4.079 155 HG2 GLU 21 2HG GLU 21 9.898 5.235 -1.695 156 HG3 GLU 21 3HG GLU 21 11.304 4.225 -1.419 157 HE2 GLU 21 2HE GLU 21 12.819 5.495 -0.378 158 H GLN 22 HN GLN 22 10.694 2.081 -5.297 159 HA GLN 22 HA GLN 22 10.921 3.209 -7.753 160 HB2 GLN 22 2HB GLN 22 11.952 1.069 -7.173 161 HB3 GLN 22 3HB GLN 22 10.385 0.307 -6.993 162 HG2 GLN 22 2HG GLN 22 9.906 0.556 -9.378 163 HG3 GLN 22 3HG GLN 22 11.326 1.555 -9.614 164 HE21 GLN 22 1HE2 GLN 22 12.836 0.528 -10.659 165 HE22 GLN 22 2HE2 GLN 22 13.319 -1.124 -10.464 166 H GLU 23 HN GLU 23 8.120 1.384 -6.365 167 HA GLU 23 HA GLU 23 6.604 1.439 -8.684 168 HB2 GLU 23 2HB GLU 23 6.175 0.849 -5.808 169 HB3 GLU 23 3HB GLU 23 4.734 1.392 -6.643 170 HG2 GLU 23 2HG GLU 23 6.510 -0.765 -7.842 171 HG3 GLU 23 3HG GLU 23 5.291 -1.168 -6.650 172 HE2 GLU 23 2HE GLU 23 3.758 1.262 -8.892 173 H LEU 24 HN LEU 24 7.182 3.835 -6.124 174 HA LEU 24 HA LEU 24 4.957 5.472 -6.811 175 HB2 LEU 24 2HB LEU 24 7.385 5.750 -5.074 176 HB3 LEU 24 3HB LEU 24 6.402 7.154 -5.441 177 HG LEU 24 HG LEU 24 4.633 6.446 -4.173 178 HD11 LEU 24 1HD1 LEU 24 4.215 4.039 -3.572 179 HD12 LEU 24 2HD1 LEU 24 4.080 4.427 -5.304 180 HD13 LEU 24 3HD1 LEU 24 5.533 3.604 -4.686 181 HD21 LEU 24 1HD2 LEU 24 5.903 4.850 -2.287 182 HD22 LEU 24 2HD2 LEU 24 7.225 5.788 -3.023 183 HD23 LEU 24 3HD2 LEU 24 5.831 6.628 -2.306 184 H LEU 25 HN LEU 25 8.336 5.119 -7.875 185 HA LEU 25 HA LEU 25 8.487 7.606 -9.193 186 HB2 LEU 25 2HB LEU 25 10.055 5.105 -9.038 187 HB3 LEU 25 3HB LEU 25 10.266 6.043 -10.503 188 HG LEU 25 HG LEU 25 10.691 8.053 -8.933 189 HD11 LEU 25 1HD1 LEU 25 9.951 7.240 -6.841 190 HD12 LEU 25 2HD1 LEU 25 10.919 5.752 -6.986 191 HD13 LEU 25 3HD1 LEU 25 11.726 7.319 -6.737 192 HD21 LEU 25 1HD2 LEU 25 12.919 7.762 -9.246 193 HD22 LEU 25 2HD2 LEU 25 12.908 6.093 -8.631 194 HD23 LEU 25 3HD2 LEU 25 12.340 6.435 -10.282 195 H GLU 26 HN GLU 26 7.089 4.446 -9.990 196 HA GLU 26 HA GLU 26 6.946 4.972 -12.758 197 HB2 GLU 26 2HB GLU 26 6.362 2.793 -10.961 198 HB3 GLU 26 3HB GLU 26 4.944 3.068 -11.953 199 HG2 GLU 26 2HG GLU 26 7.585 3.108 -13.378 200 HG3 GLU 26 3HG GLU 26 7.061 1.552 -12.764 201 HE2 GLU 26 2HE GLU 26 6.784 0.876 -14.699 202 H LEU 27 HN LEU 27 4.788 5.431 -9.927 203 HA LEU 27 HA LEU 27 2.490 6.074 -11.415 204 HB2 LEU 27 2HB LEU 27 3.133 5.620 -8.773 205 HB3 LEU 27 3HB LEU 27 2.742 7.328 -8.785 206 HG LEU 27 HG LEU 27 0.800 5.965 -8.218 207 HD11 LEU 27 1HD1 LEU 27 0.638 7.402 -10.876 208 HD12 LEU 27 2HD1 LEU 27 -0.782 6.843 -9.960 209 HD13 LEU 27 3HD1 LEU 27 0.311 8.056 -9.253 210 HD21 LEU 27 1HD2 LEU 27 1.634 4.008 -9.695 211 HD22 LEU 27 2HD2 LEU 27 -0.116 4.288 -9.534 212 HD23 LEU 27 3HD2 LEU 27 0.740 4.823 -11.000 213 H ASP 28 HN ASP 28 5.378 7.881 -10.408 214 HA ASP 28 HA ASP 28 4.336 10.420 -10.702 215 HB2 ASP 28 2HB ASP 28 6.430 10.511 -9.737 216 HB3 ASP 28 3HB ASP 28 7.027 9.142 -10.654 217 HD2 ASP 28 2HD ASP 28 6.441 12.596 -11.000 218 H LYS 29 HN LYS 29 5.976 8.139 -12.993 219 HA LYS 29 HA LYS 29 5.938 9.956 -15.170 220 HB2 LYS 29 2HB LYS 29 6.332 6.951 -15.080 221 HB3 LYS 29 3HB LYS 29 6.612 7.962 -16.483 222 HG2 LYS 29 2HG LYS 29 7.998 9.191 -14.290 223 HG3 LYS 29 3HG LYS 29 8.364 7.479 -14.222 224 HD2 LYS 29 2HD LYS 29 8.768 9.349 -16.598 225 HD3 LYS 29 3HD LYS 29 10.016 8.558 -15.656 226 HE2 LYS 29 2HE LYS 29 8.294 6.469 -16.565 227 HE3 LYS 29 3HE LYS 29 8.521 7.530 -17.941 228 HZ1 LYS 29 1HZ LYS 29 11.023 7.265 -16.788 229 HZ2 LYS 29 2HZ LYS 29 10.405 5.759 -16.767 230 H TRP 30 HN TRP 30 3.677 7.617 -13.769 231 HA TRP 30 HA TRP 30 2.045 7.298 -16.031 232 HB2 TRP 30 2HB TRP 30 1.986 5.771 -14.155 233 HB3 TRP 30 3HB TRP 30 1.450 7.046 -13.079 234 HD1 TRP 30 1HD TRP 30 0.110 4.697 -15.797 235 HE1 TRP 30 1HE TRP 30 -2.527 4.721 -15.885 236 HE3 TRP 30 3HE TRP 30 -0.482 8.606 -12.602 237 HZ2 TRP 30 2HZ TRP 30 -4.521 6.337 -14.635 238 HZ3 TRP 30 3HZ TRP 30 -2.807 9.345 -12.088 239 HH2 TRP 30 2HH TRP 30 -4.785 8.278 -13.047 240 H ALA 31 HN ALA 31 1.499 9.277 -13.018 241 HA ALA 31 HA ALA 31 -0.623 10.732 -14.004 242 HB1 ALA 31 1HB ALA 31 0.273 12.446 -12.238 243 HB2 ALA 31 2HB ALA 31 -0.255 10.836 -11.693 244 HB3 ALA 31 3HB ALA 31 1.479 11.186 -11.883 245 H SER 32 HN SER 32 2.850 10.991 -14.632 246 HA SER 32 HA SER 32 3.046 13.586 -15.394 247 HB2 SER 32 2HB SER 32 4.802 11.624 -15.308 248 HB3 SER 32 3HB SER 32 4.385 11.388 -16.993 249 HG SER 32 HG SER 32 5.331 13.868 -15.827 250 H LEU 33 HN LEU 33 1.518 10.834 -17.055 251 HA LEU 33 HA LEU 33 1.432 11.776 -19.636 252 HB2 LEU 33 2HB LEU 33 -0.389 10.279 -19.965 253 HB3 LEU 33 3HB LEU 33 0.781 9.533 -18.895 254 HG LEU 33 HG LEU 33 -0.867 10.577 -17.038 255 HD11 LEU 33 1HD1 LEU 33 -3.154 10.511 -17.657 256 HD12 LEU 33 2HD1 LEU 33 -2.329 11.520 -18.870 257 HD13 LEU 33 3HD1 LEU 33 -2.778 9.844 -19.265 258 HD21 LEU 33 1HD2 LEU 33 -1.258 8.430 -16.518 259 HD22 LEU 33 2HD2 LEU 33 -1.913 8.047 -18.128 260 HD23 LEU 33 3HD2 LEU 33 -0.152 8.080 -17.869 261 H TRP 34 HN TRP 34 -0.646 12.582 -16.808 262 HA TRP 34 HA TRP 34 -2.519 14.094 -18.224 263 HB2 TRP 34 2HB TRP 34 -1.605 14.115 -15.351 264 HB3 TRP 34 3HB TRP 34 -2.872 15.172 -15.943 265 HD1 TRP 34 1HD TRP 34 -2.181 11.357 -15.582 266 HE1 TRP 34 1HE TRP 34 -4.443 10.015 -15.371 267 HE3 TRP 34 3HE TRP 34 -5.231 15.350 -16.365 268 HZ2 TRP 34 2HZ TRP 34 -7.193 10.758 -15.552 269 HZ3 TRP 34 3HZ TRP 34 -7.692 14.954 -16.332 270 HH2 TRP 34 2HH TRP 34 -8.683 12.754 -15.943 271 H ASN 35 HN ASN 35 0.501 15.016 -16.420 272 HA ASN 35 HA ASN 35 0.320 17.618 -17.675 273 HB2 ASN 35 2HB ASN 35 2.269 18.138 -16.082 274 HB3 ASN 35 3HB ASN 35 0.757 17.733 -15.293 275 HD21 ASN 35 1HD2 ASN 35 0.605 15.999 -14.012 276 HD22 ASN 35 2HD2 ASN 35 1.884 14.883 -13.669 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -27.743 -6.037 -2.843 2 HA2 GLY 1 1HA GLY 1 -26.301 -5.241 -1.114 3 HA3 GLY 1 2HA GLY 1 -25.377 -6.726 -1.216 4 H ILE 2 HN ILE 2 -26.607 -4.954 -4.080 5 HA ILE 2 HA ILE 2 -23.866 -4.685 -4.985 6 HB ILE 2 HB ILE 2 -26.573 -4.583 -6.239 7 HG12 ILE 2 2HG1 ILE 2 -24.138 -5.904 -7.382 8 HG13 ILE 2 3HG1 ILE 2 -24.894 -6.613 -5.969 9 HG21 ILE 2 1HG2 ILE 2 -24.160 -3.090 -7.165 10 HG22 ILE 2 2HG2 ILE 2 -25.157 -3.926 -8.379 11 HG23 ILE 2 3HG2 ILE 2 -25.888 -2.694 -7.321 12 HD11 ILE 2 1HD1 ILE 2 -25.779 -7.510 -8.161 13 HD12 ILE 2 2HD1 ILE 2 -27.038 -6.809 -7.116 14 HD13 ILE 2 3HD1 ILE 2 -26.422 -5.887 -8.509 15 H GLY 3 HN GLY 3 -22.728 -2.794 -5.058 16 HA2 GLY 3 1HA GLY 3 -23.808 -0.244 -5.303 17 HA3 GLY 3 2HA GLY 3 -23.669 -0.568 -3.587 18 H ALA 4 HN ALA 4 -22.145 1.285 -5.506 19 HA ALA 4 HA ALA 4 -19.530 0.236 -5.748 20 HB1 ALA 4 1HB ALA 4 -20.680 2.145 -7.048 21 HB2 ALA 4 2HB ALA 4 -20.297 3.167 -5.643 22 HB3 ALA 4 3HB ALA 4 -18.986 2.394 -6.566 23 H PHE 5 HN PHE 5 -21.399 1.622 -3.128 24 HA PHE 5 HA PHE 5 -19.396 2.771 -1.614 25 HB2 PHE 5 2HB PHE 5 -21.124 2.783 0.002 26 HB3 PHE 5 3HB PHE 5 -22.078 2.434 -1.426 27 HD1 PHE 5 1HD PHE 5 -20.634 1.025 1.633 28 HD2 PHE 5 2HD PHE 5 -23.041 0.241 -1.774 29 HE1 PHE 5 1HE PHE 5 -21.452 -1.097 2.697 30 HE2 PHE 5 2HE PHE 5 -23.857 -1.880 -0.710 31 HZ PHE 5 HZ PHE 5 -23.053 -2.524 1.513 32 H GLY 6 HN GLY 6 -20.275 -0.652 -2.119 33 HA2 GLY 6 1HA GLY 6 -18.830 -1.687 0.099 34 HA3 GLY 6 2HA GLY 6 -19.413 -2.568 -1.300 35 H LEU 7 HN LEU 7 -17.992 -0.701 -3.227 36 HA LEU 7 HA LEU 7 -15.451 -2.067 -3.095 37 HB2 LEU 7 2HB LEU 7 -17.181 -1.178 -5.122 38 HB3 LEU 7 3HB LEU 7 -15.741 -0.190 -5.269 39 HG LEU 7 HG LEU 7 -15.774 -2.277 -6.665 40 HD11 LEU 7 1HD1 LEU 7 -13.401 -2.988 -5.901 41 HD12 LEU 7 2HD1 LEU 7 -13.671 -1.321 -6.465 42 HD13 LEU 7 3HD1 LEU 7 -13.562 -1.664 -4.722 43 HD21 LEU 7 1HD2 LEU 7 -15.832 -4.380 -5.820 44 HD22 LEU 7 2HD2 LEU 7 -15.000 -3.924 -4.314 45 HD23 LEU 7 3HD2 LEU 7 -16.731 -3.564 -4.519 46 H LEU 8 HN LEU 8 -16.863 1.070 -2.360 47 HA LEU 8 HA LEU 8 -14.554 2.626 -2.597 48 HB2 LEU 8 2HB LEU 8 -16.739 3.599 -2.478 49 HB3 LEU 8 3HB LEU 8 -17.032 2.896 -0.899 50 HG LEU 8 HG LEU 8 -15.071 4.305 -0.056 51 HD11 LEU 8 1HD1 LEU 8 -15.506 6.230 -2.258 52 HD12 LEU 8 2HD1 LEU 8 -14.033 5.839 -1.337 53 HD13 LEU 8 3HD1 LEU 8 -14.556 4.782 -2.669 54 HD21 LEU 8 1HD2 LEU 8 -17.802 5.178 -0.785 55 HD22 LEU 8 2HD2 LEU 8 -16.975 5.161 0.791 56 HD23 LEU 8 3HD2 LEU 8 -16.655 6.474 -0.367 57 H GLY 9 HN GLY 9 -15.977 0.855 0.229 58 HA2 GLY 9 1HA GLY 9 -14.023 1.560 2.092 59 HA3 GLY 9 2HA GLY 9 -15.042 0.135 2.140 60 H PHE 10 HN PHE 10 -14.066 -0.900 -0.509 61 HA PHE 10 HA PHE 10 -11.778 -2.267 0.528 62 HB2 PHE 10 2HB PHE 10 -13.421 -3.486 -0.805 63 HB3 PHE 10 3HB PHE 10 -13.456 -2.236 -2.032 64 HD1 PHE 10 1HD PHE 10 -13.041 -3.716 -3.869 65 HD2 PHE 10 2HD PHE 10 -10.313 -3.527 -0.624 66 HE1 PHE 10 1HE PHE 10 -11.349 -4.989 -5.218 67 HE2 PHE 10 2HE PHE 10 -8.621 -4.800 -1.972 68 HZ PHE 10 HZ PHE 10 -9.159 -5.516 -4.253 69 H LEU 11 HN LEU 11 -12.450 0.367 -1.777 70 HA LEU 11 HA LEU 11 -10.012 0.287 -3.142 71 HB2 LEU 11 2HB LEU 11 -12.179 1.502 -3.709 72 HB3 LEU 11 3HB LEU 11 -11.660 2.748 -2.591 73 HG LEU 11 HG LEU 11 -10.447 1.951 -5.228 74 HD11 LEU 11 1HD1 LEU 11 -10.452 4.615 -5.244 75 HD12 LEU 11 2HD1 LEU 11 -11.882 3.653 -5.689 76 HD13 LEU 11 3HD1 LEU 11 -11.756 4.358 -4.059 77 HD21 LEU 11 1HD2 LEU 11 -9.067 3.352 -2.941 78 HD22 LEU 11 2HD2 LEU 11 -8.500 1.980 -3.922 79 HD23 LEU 11 3HD2 LEU 11 -8.590 3.608 -4.637 80 H ALA 12 HN ALA 12 -11.065 1.988 -0.136 81 HA ALA 12 HA ALA 12 -8.787 3.484 0.272 82 HB1 ALA 12 1HB ALA 12 -10.874 2.240 2.068 83 HB2 ALA 12 2HB ALA 12 -9.503 3.139 2.764 84 HB3 ALA 12 3HB ALA 12 -10.626 3.952 1.647 85 H ALA 13 HN ALA 13 -9.545 0.093 1.308 86 HA ALA 13 HA ALA 13 -7.073 -0.295 2.594 87 HB1 ALA 13 1HB ALA 13 -8.667 -1.814 3.280 88 HB2 ALA 13 2HB ALA 13 -9.375 -1.969 1.654 89 HB3 ALA 13 3HB ALA 13 -7.849 -2.798 2.042 90 H GLY 14 HN GLY 14 -8.109 -0.301 -0.769 91 HA2 GLY 14 1HA GLY 14 -5.992 -1.937 -1.774 92 HA3 GLY 14 2HA GLY 14 -7.068 -0.896 -2.686 93 H SER 15 HN SER 15 -6.362 1.469 -0.843 94 HA SER 15 HA SER 15 -4.312 2.454 -2.463 95 HB2 SER 15 2HB SER 15 -6.078 3.853 -1.378 96 HB3 SER 15 3HB SER 15 -5.376 3.519 0.192 97 HG SER 15 HG SER 15 -3.302 4.426 -0.932 98 H LYS 16 HN LYS 16 -4.366 1.963 1.152 99 HA LYS 16 HA LYS 16 -1.635 2.236 1.494 100 HB2 LYS 16 2HB LYS 16 -3.665 0.698 3.141 101 HB3 LYS 16 3HB LYS 16 -2.042 1.088 3.670 102 HG2 LYS 16 2HG LYS 16 -3.652 3.384 2.617 103 HG3 LYS 16 3HG LYS 16 -4.208 2.696 4.130 104 HD2 LYS 16 2HD LYS 16 -1.655 2.848 4.833 105 HD3 LYS 16 3HD LYS 16 -1.538 3.993 3.512 106 HE2 LYS 16 2HE LYS 16 -2.137 5.497 5.155 107 HE3 LYS 16 3HE LYS 16 -3.757 4.996 4.711 108 HZ1 LYS 16 1HZ LYS 16 -2.193 3.707 6.881 109 HZ2 LYS 16 2HZ LYS 16 -3.312 4.861 7.138 110 H LYS 17 HN LYS 17 -3.591 -0.493 0.356 111 HA LYS 17 HA LYS 17 -2.054 -2.640 0.849 112 HB2 LYS 17 2HB LYS 17 -4.071 -1.897 -1.037 113 HB3 LYS 17 3HB LYS 17 -2.830 -2.781 -1.900 114 HG2 LYS 17 2HG LYS 17 -2.930 -4.564 -0.081 115 HG3 LYS 17 3HG LYS 17 -4.292 -3.707 0.616 116 HD2 LYS 17 2HD LYS 17 -5.118 -3.888 -2.001 117 HD3 LYS 17 3HD LYS 17 -4.157 -5.347 -1.878 118 HE2 LYS 17 2HE LYS 17 -6.542 -4.557 -0.152 119 HE3 LYS 17 3HE LYS 17 -6.427 -5.923 -1.244 120 HZ1 LYS 17 1HZ LYS 17 -5.694 -7.085 0.519 121 HZ2 LYS 17 2HZ LYS 17 -4.317 -6.216 0.517 122 H21 ACA 18 1HA ACA 18 2.606 1.521 -6.318 123 H22 ACA 18 2HA ACA 18 1.576 2.666 -5.483 124 H31 ACA 18 2HB ACA 18 1.952 1.622 -3.347 125 H32 ACA 18 3HB ACA 18 3.332 0.718 -3.938 126 H41 ACA 18 2HG ACA 18 1.963 -1.011 -4.450 127 H42 ACA 18 3HG ACA 18 1.151 -0.003 -5.632 128 H51 ACA 18 2HD ACA 18 -0.587 -0.707 -4.162 129 H52 ACA 18 3HD ACA 18 -0.248 0.942 -3.675 130 H61 ACA 18 2HE ACA 18 1.021 -1.478 -2.466 131 H62 ACA 18 3HE ACA 18 1.366 0.429 -1.518 132 HN61 ACA 18 HN ACA 18 -1.514 -0.215 -1.789 133 H LYS 19 HN LYS 19 2.733 4.745 -5.680 134 HA LYS 19 HA LYS 19 5.172 3.740 -6.967 135 HB2 LYS 19 2HB LYS 19 3.227 5.809 -8.027 136 HB3 LYS 19 3HB LYS 19 4.574 5.085 -8.882 137 HG2 LYS 19 2HG LYS 19 3.463 3.087 -9.246 138 HG3 LYS 19 3HG LYS 19 2.614 3.150 -7.714 139 HD2 LYS 19 2HD LYS 19 0.813 4.250 -8.608 140 HD3 LYS 19 3HD LYS 19 1.816 5.320 -9.567 141 HE2 LYS 19 2HE LYS 19 1.870 3.873 -11.399 142 HE3 LYS 19 3HE LYS 19 1.724 2.435 -10.410 143 HZ1 LYS 19 1HZ LYS 19 -0.508 4.354 -10.794 144 HZ2 LYS 19 2HZ LYS 19 -0.327 3.006 -11.688 145 H ASN 20 HN ASN 20 3.559 6.620 -5.505 146 HA ASN 20 HA ASN 20 6.087 7.451 -4.514 147 HB2 ASN 20 2HB ASN 20 5.255 8.506 -7.029 148 HB3 ASN 20 3HB ASN 20 4.902 9.771 -5.871 149 HD21 ASN 20 1HD2 ASN 20 7.439 7.281 -5.929 150 HD22 ASN 20 2HD2 ASN 20 8.802 8.351 -5.906 151 H GLU 21 HN GLU 21 5.765 8.934 -2.717 152 HA GLU 21 HA GLU 21 3.287 8.804 -1.515 153 HB2 GLU 21 2HB GLU 21 5.547 10.783 -0.985 154 HB3 GLU 21 3HB GLU 21 4.236 10.420 0.120 155 HG2 GLU 21 2HG GLU 21 5.288 8.555 0.877 156 HG3 GLU 21 3HG GLU 21 5.493 7.938 -0.751 157 HE2 GLU 21 2HE GLU 21 8.830 8.316 -0.266 158 H GLN 22 HN GLN 22 4.817 11.317 -3.572 159 HA GLN 22 HA GLN 22 3.134 13.389 -3.098 160 HB2 GLN 22 2HB GLN 22 5.226 13.064 -4.714 161 HB3 GLN 22 3HB GLN 22 3.995 12.796 -5.932 162 HG2 GLN 22 2HG GLN 22 2.957 14.984 -5.420 163 HG3 GLN 22 3HG GLN 22 4.087 15.245 -4.106 164 HE21 GLN 22 1HE2 GLN 22 3.842 17.080 -6.084 165 HE22 GLN 22 2HE2 GLN 22 5.257 17.129 -7.081 166 H GLU 23 HN GLU 23 2.684 10.584 -5.332 167 HA GLU 23 HA GLU 23 0.324 11.516 -6.454 168 HB2 GLU 23 2HB GLU 23 1.685 8.840 -6.209 169 HB3 GLU 23 3HB GLU 23 0.020 8.865 -6.757 170 HG2 GLU 23 2HG GLU 23 0.919 10.805 -8.373 171 HG3 GLU 23 3HG GLU 23 2.470 10.045 -8.073 172 HE2 GLU 23 2HE GLU 23 1.714 8.016 -10.698 173 H LEU 24 HN LEU 24 1.057 9.915 -3.379 174 HA LEU 24 HA LEU 24 -1.622 9.095 -2.872 175 HB2 LEU 24 2HB LEU 24 0.913 9.265 -1.276 176 HB3 LEU 24 3HB LEU 24 -0.614 8.938 -0.483 177 HG LEU 24 HG LEU 24 1.006 7.008 -1.340 178 HD11 LEU 24 1HD1 LEU 24 -1.377 7.032 -0.193 179 HD12 LEU 24 2HD1 LEU 24 -1.897 6.470 -1.801 180 HD13 LEU 24 3HD1 LEU 24 -0.686 5.543 -0.882 181 HD21 LEU 24 1HD2 LEU 24 -0.851 7.304 -3.710 182 HD22 LEU 24 2HD2 LEU 24 0.847 7.840 -3.709 183 HD23 LEU 24 3HD2 LEU 24 0.457 6.118 -3.476 184 H LEU 25 HN LEU 25 0.432 11.938 -2.060 185 HA LEU 25 HA LEU 25 -1.331 13.127 -0.273 186 HB2 LEU 25 2HB LEU 25 1.027 13.884 -1.845 187 HB3 LEU 25 3HB LEU 25 -0.057 15.220 -1.513 188 HG LEU 25 HG LEU 25 0.647 13.468 0.790 189 HD11 LEU 25 1HD1 LEU 25 2.626 15.469 -0.331 190 HD12 LEU 25 2HD1 LEU 25 2.792 14.514 1.162 191 HD13 LEU 25 3HD1 LEU 25 2.793 13.699 -0.421 192 HD21 LEU 25 1HD2 LEU 25 0.448 16.477 0.501 193 HD22 LEU 25 2HD2 LEU 25 -0.877 15.401 1.004 194 HD23 LEU 25 3HD2 LEU 25 0.579 15.553 2.016 195 H GLU 26 HN GLU 26 -1.003 13.494 -3.865 196 HA GLU 26 HA GLU 26 -3.043 15.349 -4.090 197 HB2 GLU 26 2HB GLU 26 -2.567 15.247 -6.324 198 HB3 GLU 26 3HB GLU 26 -1.198 14.290 -5.793 199 HG2 GLU 26 2HG GLU 26 -2.164 12.930 -7.465 200 HG3 GLU 26 3HG GLU 26 -2.798 12.232 -5.987 201 HE2 GLU 26 2HE GLU 26 -5.848 12.565 -7.661 202 H LEU 27 HN LEU 27 -3.046 11.807 -3.804 203 HA LEU 27 HA LEU 27 -5.642 11.374 -4.781 204 HB2 LEU 27 2HB LEU 27 -3.538 9.825 -4.034 205 HB3 LEU 27 3HB LEU 27 -4.610 9.589 -2.669 206 HG LEU 27 HG LEU 27 -4.978 7.833 -4.257 207 HD11 LEU 27 1HD1 LEU 27 -7.063 8.000 -3.480 208 HD12 LEU 27 2HD1 LEU 27 -7.079 9.774 -3.634 209 HD13 LEU 27 3HD1 LEU 27 -7.450 8.755 -5.045 210 HD21 LEU 27 1HD2 LEU 27 -4.105 8.813 -6.268 211 HD22 LEU 27 2HD2 LEU 27 -5.784 8.302 -6.567 212 HD23 LEU 27 3HD2 LEU 27 -5.411 10.022 -6.304 213 H ASP 28 HN ASP 28 -4.332 11.958 -1.457 214 HA ASP 28 HA ASP 28 -6.652 11.631 -0.090 215 HB2 ASP 28 2HB ASP 28 -4.751 11.977 1.243 216 HB3 ASP 28 3HB ASP 28 -4.190 13.329 0.279 217 HD2 ASP 28 2HD ASP 28 -5.117 12.738 3.179 218 H LYS 29 HN LYS 29 -5.454 14.367 -2.071 219 HA LYS 29 HA LYS 29 -7.461 16.193 -1.188 220 HB2 LYS 29 2HB LYS 29 -5.533 16.263 -3.527 221 HB3 LYS 29 3HB LYS 29 -6.582 17.588 -3.063 222 HG2 LYS 29 2HG LYS 29 -5.385 16.956 -0.639 223 HG3 LYS 29 3HG LYS 29 -4.093 16.605 -1.767 224 HD2 LYS 29 2HD LYS 29 -3.702 18.813 -2.124 225 HD3 LYS 29 3HD LYS 29 -5.384 19.107 -2.518 226 HE2 LYS 29 2HE LYS 29 -5.490 18.753 0.245 227 HE3 LYS 29 3HE LYS 29 -3.942 19.548 0.039 228 HZ1 LYS 29 1HZ LYS 29 -5.418 21.070 -1.543 229 HZ2 LYS 29 2HZ LYS 29 -6.609 20.586 -0.543 230 H TRP 30 HN TRP 30 -7.123 13.713 -3.706 231 HA TRP 30 HA TRP 30 -9.284 14.626 -5.291 232 HB2 TRP 30 2HB TRP 30 -7.537 13.219 -6.197 233 HB3 TRP 30 3HB TRP 30 -7.930 11.934 -5.072 234 HD1 TRP 30 1HD TRP 30 -9.180 13.505 -8.341 235 HE1 TRP 30 1HE TRP 30 -11.018 12.003 -9.496 236 HE3 TRP 30 3HE TRP 30 -9.736 10.274 -4.453 237 HZ2 TRP 30 2HZ TRP 30 -12.465 9.685 -8.672 238 HZ3 TRP 30 3HZ TRP 30 -11.382 8.420 -4.710 239 HH2 TRP 30 2HH TRP 30 -12.721 8.098 -6.729 240 H ALA 31 HN ALA 31 -8.960 11.731 -3.101 241 HA ALA 31 HA ALA 31 -11.650 11.137 -3.003 242 HB1 ALA 31 1HB ALA 31 -9.945 10.717 -0.572 243 HB2 ALA 31 2HB ALA 31 -11.015 9.579 -1.426 244 HB3 ALA 31 3HB ALA 31 -9.415 9.971 -2.099 245 H SER 32 HN SER 32 -9.783 13.684 -1.406 246 HA SER 32 HA SER 32 -11.347 14.194 0.751 247 HB2 SER 32 2HB SER 32 -9.357 15.600 -0.833 248 HB3 SER 32 3HB SER 32 -10.609 16.726 -0.346 249 HG SER 32 HG SER 32 -10.013 16.566 1.726 250 H LEU 33 HN LEU 33 -11.941 14.840 -2.699 251 HA LEU 33 HA LEU 33 -13.886 16.776 -2.530 252 HB2 LEU 33 2HB LEU 33 -14.559 16.080 -4.704 253 HB3 LEU 33 3HB LEU 33 -12.814 15.981 -4.585 254 HG LEU 33 HG LEU 33 -13.413 13.430 -3.964 255 HD11 LEU 33 1HD1 LEU 33 -15.263 12.570 -5.174 256 HD12 LEU 33 2HD1 LEU 33 -15.871 13.942 -4.217 257 HD13 LEU 33 3HD1 LEU 33 -15.572 14.137 -5.960 258 HD21 LEU 33 1HD2 LEU 33 -12.386 12.928 -5.908 259 HD22 LEU 33 2HD2 LEU 33 -13.467 13.957 -6.878 260 HD23 LEU 33 3HD2 LEU 33 -12.120 14.687 -5.972 261 H TRP 34 HN TRP 34 -14.067 13.249 -1.929 262 HA TRP 34 HA TRP 34 -16.894 13.177 -1.782 263 HB2 TRP 34 2HB TRP 34 -14.739 11.316 -0.774 264 HB3 TRP 34 3HB TRP 34 -16.453 10.983 -0.630 265 HD1 TRP 34 1HD TRP 34 -13.763 11.420 -3.397 266 HE1 TRP 34 1HE TRP 34 -14.491 10.192 -5.615 267 HE3 TRP 34 3HE TRP 34 -18.413 10.140 -1.786 268 HZ2 TRP 34 2HZ TRP 34 -16.876 8.853 -6.430 269 HZ3 TRP 34 3HZ TRP 34 -19.878 8.873 -3.356 270 HH2 TRP 34 2HH TRP 34 -19.177 8.230 -5.607 271 H ASN 35 HN ASN 35 -14.244 13.152 0.718 272 HA ASN 35 HA ASN 35 -16.242 14.184 2.573 273 HB2 ASN 35 2HB ASN 35 -14.081 13.335 4.131 274 HB3 ASN 35 3HB ASN 35 -15.544 12.413 3.855 275 HD21 ASN 35 1HD2 ASN 35 -15.586 11.226 1.691 276 HD22 ASN 35 2HD2 ASN 35 -14.163 10.338 1.256 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -26.490 -4.725 -9.713 2 HA2 GLY 1 1HA GLY 1 -27.230 -2.855 -7.587 3 HA3 GLY 1 2HA GLY 1 -28.018 -4.420 -7.599 4 H ILE 2 HN ILE 2 -24.624 -3.447 -8.459 5 HA ILE 2 HA ILE 2 -23.580 -5.696 -7.072 6 HB ILE 2 HB ILE 2 -22.383 -3.319 -8.473 7 HG12 ILE 2 2HG1 ILE 2 -22.403 -6.286 -9.101 8 HG13 ILE 2 3HG1 ILE 2 -23.420 -5.076 -9.855 9 HG21 ILE 2 1HG2 ILE 2 -20.872 -5.563 -7.106 10 HG22 ILE 2 2HG2 ILE 2 -20.171 -4.303 -8.150 11 HG23 ILE 2 3HG2 ILE 2 -20.913 -3.859 -6.593 12 HD11 ILE 2 1HD1 ILE 2 -20.427 -5.454 -10.099 13 HD12 ILE 2 2HD1 ILE 2 -21.642 -5.253 -11.385 14 HD13 ILE 2 3HD1 ILE 2 -21.146 -3.854 -10.403 15 H GLY 3 HN GLY 3 -22.595 -2.249 -6.593 16 HA2 GLY 3 1HA GLY 3 -23.361 -1.417 -4.289 17 HA3 GLY 3 2HA GLY 3 -22.477 -2.811 -3.703 18 H ALA 4 HN ALA 4 -22.191 0.286 -5.497 19 HA ALA 4 HA ALA 4 -19.387 0.200 -5.763 20 HB1 ALA 4 1HB ALA 4 -21.499 1.790 -6.644 21 HB2 ALA 4 2HB ALA 4 -20.586 2.871 -5.564 22 HB3 ALA 4 3HB ALA 4 -19.769 2.088 -6.939 23 H PHE 5 HN PHE 5 -21.643 1.329 -3.217 24 HA PHE 5 HA PHE 5 -19.962 2.855 -1.708 25 HB2 PHE 5 2HB PHE 5 -22.362 1.102 -1.387 26 HB3 PHE 5 3HB PHE 5 -21.463 1.290 0.106 27 HD1 PHE 5 1HD PHE 5 -23.631 2.913 -2.301 28 HD2 PHE 5 2HD PHE 5 -21.177 3.541 1.104 29 HE1 PHE 5 1HE PHE 5 -24.740 5.131 -1.911 30 HE2 PHE 5 2HE PHE 5 -22.286 5.758 1.493 31 HZ PHE 5 HZ PHE 5 -24.054 6.528 -0.018 32 H GLY 6 HN GLY 6 -20.217 -0.736 -1.863 33 HA2 GLY 6 1HA GLY 6 -18.517 -1.263 0.334 34 HA3 GLY 6 2HA GLY 6 -18.958 -2.365 -0.955 35 H LEU 7 HN LEU 7 -17.977 -0.805 -3.208 36 HA LEU 7 HA LEU 7 -15.293 -1.635 -3.163 37 HB2 LEU 7 2HB LEU 7 -16.969 -1.352 -5.110 38 HB3 LEU 7 3HB LEU 7 -16.456 0.323 -5.123 39 HG LEU 7 HG LEU 7 -14.116 -1.341 -5.105 40 HD11 LEU 7 1HD1 LEU 7 -15.819 -1.952 -7.509 41 HD12 LEU 7 2HD1 LEU 7 -14.345 -2.761 -6.928 42 HD13 LEU 7 3HD1 LEU 7 -15.881 -2.979 -6.056 43 HD21 LEU 7 1HD2 LEU 7 -15.248 0.375 -7.330 44 HD22 LEU 7 2HD2 LEU 7 -14.340 0.998 -5.932 45 HD23 LEU 7 3HD2 LEU 7 -13.552 -0.106 -7.084 46 H LEU 8 HN LEU 8 -16.938 1.279 -2.126 47 HA LEU 8 HA LEU 8 -14.702 3.005 -2.371 48 HB2 LEU 8 2HB LEU 8 -17.439 3.090 -1.307 49 HB3 LEU 8 3HB LEU 8 -16.301 4.093 -0.430 50 HG LEU 8 HG LEU 8 -16.468 4.252 -3.433 51 HD11 LEU 8 1HD1 LEU 8 -17.999 6.357 -2.256 52 HD12 LEU 8 2HD1 LEU 8 -18.507 5.118 -3.429 53 HD13 LEU 8 3HD1 LEU 8 -18.640 4.798 -1.683 54 HD21 LEU 8 1HD2 LEU 8 -14.596 5.401 -2.588 55 HD22 LEU 8 2HD2 LEU 8 -15.824 6.656 -2.884 56 HD23 LEU 8 3HD2 LEU 8 -15.518 6.082 -1.228 57 H GLY 9 HN GLY 9 -15.679 0.495 -0.125 58 HA2 GLY 9 1HA GLY 9 -13.914 1.479 1.980 59 HA3 GLY 9 2HA GLY 9 -14.985 0.094 2.043 60 H PHE 10 HN PHE 10 -14.051 -0.929 -0.653 61 HA PHE 10 HA PHE 10 -11.809 -2.394 0.369 62 HB2 PHE 10 2HB PHE 10 -13.196 -3.760 -0.953 63 HB3 PHE 10 3HB PHE 10 -13.772 -2.405 -1.904 64 HD1 PHE 10 1HD PHE 10 -12.467 -1.609 -3.845 65 HD2 PHE 10 2HD PHE 10 -11.312 -5.063 -1.666 66 HE1 PHE 10 1HE PHE 10 -10.981 -2.310 -5.742 67 HE2 PHE 10 2HE PHE 10 -9.826 -5.763 -3.564 68 HZ PHE 10 HZ PHE 10 -9.679 -4.379 -5.579 69 H LEU 11 HN LEU 11 -12.426 0.258 -1.931 70 HA LEU 11 HA LEU 11 -9.949 0.079 -3.264 71 HB2 LEU 11 2HB LEU 11 -12.064 1.214 -4.034 72 HB3 LEU 11 3HB LEU 11 -11.699 2.512 -2.914 73 HG LEU 11 HG LEU 11 -9.341 2.267 -4.347 74 HD11 LEU 11 1HD1 LEU 11 -10.985 2.537 -6.671 75 HD12 LEU 11 2HD1 LEU 11 -9.674 1.376 -6.349 76 HD13 LEU 11 3HD1 LEU 11 -11.347 0.980 -5.889 77 HD21 LEU 11 1HD2 LEU 11 -11.700 4.125 -4.512 78 HD22 LEU 11 2HD2 LEU 11 -10.090 4.397 -3.806 79 HD23 LEU 11 3HD2 LEU 11 -10.288 4.340 -5.574 80 H ALA 12 HN ALA 12 -11.106 1.786 -0.321 81 HA ALA 12 HA ALA 12 -8.779 3.321 0.034 82 HB1 ALA 12 1HB ALA 12 -10.924 3.855 1.092 83 HB2 ALA 12 2HB ALA 12 -10.878 2.327 2.004 84 HB3 ALA 12 3HB ALA 12 -9.679 3.600 2.338 85 H ALA 13 HN ALA 13 -9.556 -0.067 0.542 86 HA ALA 13 HA ALA 13 -7.581 -0.552 2.521 87 HB1 ALA 13 1HB ALA 13 -9.737 -1.897 1.689 88 HB2 ALA 13 2HB ALA 13 -8.535 -2.686 0.640 89 HB3 ALA 13 3HB ALA 13 -8.339 -2.729 2.409 90 H GLY 14 HN GLY 14 -7.761 -1.106 -1.065 91 HA2 GLY 14 1HA GLY 14 -5.145 -2.089 -1.339 92 HA3 GLY 14 2HA GLY 14 -6.143 -1.391 -2.600 93 H SER 15 HN SER 15 -6.473 1.206 -1.043 94 HA SER 15 HA SER 15 -4.501 2.626 -2.263 95 HB2 SER 15 2HB SER 15 -5.837 3.456 0.344 96 HB3 SER 15 3HB SER 15 -5.228 4.511 -0.916 97 HG SER 15 HG SER 15 -6.914 3.049 -2.249 98 H LYS 16 HN LYS 16 -4.449 0.815 0.769 99 HA LYS 16 HA LYS 16 -2.296 2.137 1.989 100 HB2 LYS 16 2HB LYS 16 -3.330 -0.698 2.284 101 HB3 LYS 16 3HB LYS 16 -2.139 0.039 3.335 102 HG2 LYS 16 2HG LYS 16 -4.570 1.702 2.936 103 HG3 LYS 16 3HG LYS 16 -4.890 0.160 3.705 104 HD2 LYS 16 2HD LYS 16 -2.486 1.466 4.809 105 HD3 LYS 16 3HD LYS 16 -3.910 2.476 4.965 106 HE2 LYS 16 2HE LYS 16 -4.736 1.172 6.633 107 HE3 LYS 16 3HE LYS 16 -4.602 -0.269 5.645 108 HZ1 LYS 16 1HZ LYS 16 -2.059 0.033 6.264 109 HZ2 LYS 16 2HZ LYS 16 -2.670 0.805 7.561 110 H LYS 17 HN LYS 17 -2.531 -0.526 -0.409 111 HA LYS 17 HA LYS 17 0.400 -0.450 -0.585 112 HB2 LYS 17 2HB LYS 17 -1.575 -2.654 -0.656 113 HB3 LYS 17 3HB LYS 17 -0.317 -2.745 -1.872 114 HG2 LYS 17 2HG LYS 17 0.249 -2.278 1.092 115 HG3 LYS 17 3HG LYS 17 0.245 -3.866 0.352 116 HD2 LYS 17 2HD LYS 17 1.935 -2.764 -1.377 117 HD3 LYS 17 3HD LYS 17 2.161 -1.567 -0.117 118 HE2 LYS 17 2HE LYS 17 3.846 -3.262 0.233 119 HE3 LYS 17 3HE LYS 17 2.659 -3.469 1.506 120 HZ1 LYS 17 1HZ LYS 17 3.459 -5.434 -0.181 121 HZ2 LYS 17 2HZ LYS 17 2.082 -5.484 0.688 122 H21 ACA 18 1HA ACA 18 -0.697 1.816 -6.065 123 H22 ACA 18 2HA ACA 18 0.742 1.287 -6.913 124 H31 ACA 18 2HB ACA 18 -1.117 -0.025 -8.403 125 H32 ACA 18 3HB ACA 18 -2.010 0.077 -6.899 126 H41 ACA 18 2HG ACA 18 0.786 -0.718 -6.439 127 H42 ACA 18 3HG ACA 18 -0.019 -1.814 -7.544 128 H51 ACA 18 2HD ACA 18 -0.217 -2.354 -5.025 129 H52 ACA 18 3HD ACA 18 -1.700 -2.388 -5.955 130 H61 ACA 18 2HE ACA 18 -0.932 0.214 -4.881 131 H62 ACA 18 3HE ACA 18 -2.997 -0.405 -4.953 132 HN61 ACA 18 HN ACA 18 -1.726 -1.930 -3.006 133 H LYS 19 HN LYS 19 -2.510 2.944 -7.515 134 HA LYS 19 HA LYS 19 -2.044 1.579 -10.017 135 HB2 LYS 19 2HB LYS 19 -4.369 2.344 -8.360 136 HB3 LYS 19 3HB LYS 19 -4.638 2.447 -10.088 137 HG2 LYS 19 2HG LYS 19 -3.848 0.109 -10.378 138 HG3 LYS 19 3HG LYS 19 -3.489 -0.001 -8.666 139 HD2 LYS 19 2HD LYS 19 -6.269 0.878 -9.285 140 HD3 LYS 19 3HD LYS 19 -5.889 -0.747 -9.822 141 HE2 LYS 19 2HE LYS 19 -6.492 -1.278 -7.659 142 HE3 LYS 19 3HE LYS 19 -4.812 -0.897 -7.339 143 HZ1 LYS 19 1HZ LYS 19 -5.885 0.462 -5.830 144 HZ2 LYS 19 2HZ LYS 19 -5.780 1.514 -7.067 145 H ASN 20 HN ASN 20 -2.833 4.879 -8.797 146 HA ASN 20 HA ASN 20 -2.063 5.824 -11.443 147 HB2 ASN 20 2HB ASN 20 -3.736 7.823 -10.401 148 HB3 ASN 20 3HB ASN 20 -4.188 6.662 -11.634 149 HD21 ASN 20 1HD2 ASN 20 -6.041 5.745 -11.247 150 HD22 ASN 20 2HD2 ASN 20 -6.676 5.252 -9.712 151 H GLU 21 HN GLU 21 -1.713 8.467 -11.111 152 HA GLU 21 HA GLU 21 0.493 8.688 -9.481 153 HB2 GLU 21 2HB GLU 21 -1.250 10.998 -10.434 154 HB3 GLU 21 3HB GLU 21 0.461 11.053 -10.057 155 HG2 GLU 21 2HG GLU 21 0.641 9.155 -11.917 156 HG3 GLU 21 3HG GLU 21 -0.913 9.778 -12.435 157 HE2 GLU 21 2HE GLU 21 0.889 12.043 -14.296 158 H GLN 22 HN GLN 22 -2.959 9.546 -8.938 159 HA GLN 22 HA GLN 22 -2.678 11.013 -6.663 160 HB2 GLN 22 2HB GLN 22 -4.789 10.376 -8.081 161 HB3 GLN 22 3HB GLN 22 -4.923 9.001 -7.002 162 HG2 GLN 22 2HG GLN 22 -5.038 10.491 -5.039 163 HG3 GLN 22 3HG GLN 22 -4.745 11.896 -6.044 164 HE21 GLN 22 1HE2 GLN 22 -6.944 11.621 -4.372 165 HE22 GLN 22 2HE2 GLN 22 -8.399 11.546 -5.308 166 H GLU 23 HN GLU 23 -3.175 7.419 -6.939 167 HA GLU 23 HA GLU 23 -3.078 6.899 -4.254 168 HB2 GLU 23 2HB GLU 23 -2.480 5.298 -6.741 169 HB3 GLU 23 3HB GLU 23 -2.107 4.590 -5.181 170 HG2 GLU 23 2HG GLU 23 -4.639 5.568 -4.696 171 HG3 GLU 23 3HG GLU 23 -4.763 5.194 -6.405 172 HE2 GLU 23 2HE GLU 23 -3.687 1.748 -5.459 173 H LEU 24 HN LEU 24 -0.457 7.476 -6.606 174 HA LEU 24 HA LEU 24 1.627 6.510 -4.969 175 HB2 LEU 24 2HB LEU 24 1.400 8.176 -7.436 176 HB3 LEU 24 3HB LEU 24 2.922 8.167 -6.569 177 HG LEU 24 HG LEU 24 3.371 5.960 -7.063 178 HD11 LEU 24 1HD1 LEU 24 1.607 4.328 -7.833 179 HD12 LEU 24 2HD1 LEU 24 1.471 4.875 -6.146 180 HD13 LEU 24 3HD1 LEU 24 0.393 5.552 -7.390 181 HD21 LEU 24 1HD2 LEU 24 2.044 7.403 -9.275 182 HD22 LEU 24 2HD2 LEU 24 3.671 6.687 -9.172 183 HD23 LEU 24 3HD2 LEU 24 2.264 5.653 -9.518 184 H LEU 25 HN LEU 25 0.028 9.703 -5.396 185 HA LEU 25 HA LEU 25 1.824 11.189 -3.887 186 HB2 LEU 25 2HB LEU 25 -0.679 11.539 -5.179 187 HB3 LEU 25 3HB LEU 25 -0.848 12.150 -3.547 188 HG LEU 25 HG LEU 25 1.317 12.992 -5.495 189 HD11 LEU 25 1HD1 LEU 25 -0.032 14.550 -6.336 190 HD12 LEU 25 2HD1 LEU 25 -1.376 13.663 -5.576 191 HD13 LEU 25 3HD1 LEU 25 -0.616 15.029 -4.724 192 HD21 LEU 25 1HD2 LEU 25 1.782 14.783 -3.889 193 HD22 LEU 25 2HD2 LEU 25 0.569 14.105 -2.776 194 HD23 LEU 25 3HD2 LEU 25 2.034 13.175 -3.171 195 H GLU 26 HN GLU 26 -0.677 8.862 -2.971 196 HA GLU 26 HA GLU 26 -0.863 9.756 -0.306 197 HB2 GLU 26 2HB GLU 26 -1.733 7.277 -1.808 198 HB3 GLU 26 3HB GLU 26 -1.844 7.312 -0.059 199 HG2 GLU 26 2HG GLU 26 -2.966 9.744 -0.646 200 HG3 GLU 26 3HG GLU 26 -3.402 8.859 -2.093 201 HE2 GLU 26 2HE GLU 26 -5.752 8.022 -1.420 202 H LEU 27 HN LEU 27 1.022 7.213 -2.034 203 HA LEU 27 HA LEU 27 2.095 5.953 0.177 204 HB2 LEU 27 2HB LEU 27 2.205 5.590 -2.473 205 HB3 LEU 27 3HB LEU 27 3.782 6.317 -2.241 206 HG LEU 27 HG LEU 27 3.838 3.853 -2.219 207 HD11 LEU 27 1HD1 LEU 27 5.631 3.974 -0.914 208 HD12 LEU 27 2HD1 LEU 27 5.120 5.621 -0.473 209 HD13 LEU 27 3HD1 LEU 27 4.638 4.238 0.540 210 HD21 LEU 27 1HD2 LEU 27 2.732 3.535 0.473 211 HD22 LEU 27 2HD2 LEU 27 1.519 4.017 -0.739 212 HD23 LEU 27 3HD2 LEU 27 2.499 2.553 -0.995 213 H ASP 28 HN ASP 28 2.858 9.077 -1.336 214 HA ASP 28 HA ASP 28 5.367 9.419 -0.261 215 HB2 ASP 28 2HB ASP 28 4.012 10.857 -1.973 216 HB3 ASP 28 3HB ASP 28 3.320 11.651 -0.573 217 HD2 ASP 28 2HD ASP 28 6.342 13.298 -1.965 218 H LYS 29 HN LYS 29 2.044 10.126 0.984 219 HA LYS 29 HA LYS 29 2.896 11.441 3.325 220 HB2 LYS 29 2HB LYS 29 0.283 10.075 2.620 221 HB3 LYS 29 3HB LYS 29 0.536 11.054 4.051 222 HG2 LYS 29 2HG LYS 29 1.352 12.288 1.440 223 HG3 LYS 29 3HG LYS 29 -0.369 12.070 1.687 224 HD2 LYS 29 2HD LYS 29 0.994 13.168 4.073 225 HD3 LYS 29 3HD LYS 29 1.168 14.195 2.664 226 HE2 LYS 29 2HE LYS 29 -1.211 14.423 2.393 227 HE3 LYS 29 3HE LYS 29 -1.547 13.069 3.454 228 HZ1 LYS 29 1HZ LYS 29 -1.870 15.248 4.550 229 HZ2 LYS 29 2HZ LYS 29 -0.740 14.367 5.325 230 H TRP 30 HN TRP 30 2.468 8.040 2.388 231 HA TRP 30 HA TRP 30 2.388 6.969 4.979 232 HB2 TRP 30 2HB TRP 30 1.684 5.724 3.027 233 HB3 TRP 30 3HB TRP 30 3.299 5.786 2.351 234 HD1 TRP 30 1HD TRP 30 1.263 3.919 5.012 235 HE1 TRP 30 1HE TRP 30 2.558 1.806 5.917 236 HE3 TRP 30 3HE TRP 30 5.670 4.984 2.712 237 HZ2 TRP 30 2HZ TRP 30 5.221 0.838 5.577 238 HZ3 TRP 30 3HZ TRP 30 7.568 3.402 3.051 239 HH2 TRP 30 2HH TRP 30 7.396 1.390 4.426 240 H ALA 31 HN ALA 31 5.131 7.042 2.578 241 HA ALA 31 HA ALA 31 7.098 6.306 4.362 242 HB1 ALA 31 1HB ALA 31 8.500 6.679 2.588 243 HB2 ALA 31 2HB ALA 31 6.960 6.780 1.703 244 HB3 ALA 31 3HB ALA 31 7.788 8.268 2.219 245 H SER 32 HN SER 32 5.424 9.391 3.908 246 HA SER 32 HA SER 32 7.254 11.124 4.911 247 HB2 SER 32 2HB SER 32 4.816 11.479 4.011 248 HB3 SER 32 3HB SER 32 4.324 11.285 5.682 249 HG SER 32 HG SER 32 6.469 13.045 5.419 250 H LEU 33 HN LEU 33 5.273 8.681 6.580 251 HA LEU 33 HA LEU 33 5.369 9.622 9.162 252 HB2 LEU 33 2HB LEU 33 4.940 7.379 9.837 253 HB3 LEU 33 3HB LEU 33 4.049 7.717 8.366 254 HG LEU 33 HG LEU 33 6.240 6.599 7.272 255 HD11 LEU 33 1HD1 LEU 33 7.142 4.822 8.556 256 HD12 LEU 33 2HD1 LEU 33 7.224 6.279 9.577 257 HD13 LEU 33 3HD1 LEU 33 5.955 5.062 9.860 258 HD21 LEU 33 1HD2 LEU 33 4.732 5.132 6.553 259 HD22 LEU 33 2HD2 LEU 33 4.477 4.481 8.191 260 HD23 LEU 33 3HD2 LEU 33 3.567 5.912 7.650 261 H TRP 34 HN TRP 34 7.883 8.018 7.186 262 HA TRP 34 HA TRP 34 9.652 7.590 9.359 263 HB2 TRP 34 2HB TRP 34 10.051 7.665 6.366 264 HB3 TRP 34 3HB TRP 34 11.331 7.293 7.504 265 HD1 TRP 34 1HD TRP 34 7.938 5.820 6.313 266 HE1 TRP 34 1HE TRP 34 7.847 3.217 6.734 267 HE3 TRP 34 3HE TRP 34 12.344 5.544 8.836 268 HZ2 TRP 34 2HZ TRP 34 9.588 1.375 8.046 269 HZ3 TRP 34 3HZ TRP 34 13.076 3.305 9.653 270 HH2 TRP 34 2HH TRP 34 11.777 1.266 9.294 271 H ASN 35 HN ASN 35 9.220 10.134 6.818 272 HA ASN 35 HA ASN 35 10.921 11.822 8.478 273 HB2 ASN 35 2HB ASN 35 11.156 13.002 6.019 274 HB3 ASN 35 3HB ASN 35 12.283 11.794 6.605 275 HD21 ASN 35 1HD2 ASN 35 11.844 9.538 6.106 276 HD22 ASN 35 2HD2 ASN 35 11.097 9.114 4.602 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -29.571 3.787 -2.307 2 HA2 GLY 1 1HA GLY 1 -26.839 4.127 -1.857 3 HA3 GLY 1 2HA GLY 1 -27.409 2.931 -0.709 4 H ILE 2 HN ILE 2 -26.319 3.461 -3.907 5 HA ILE 2 HA ILE 2 -27.760 1.444 -5.247 6 HB ILE 2 HB ILE 2 -25.140 2.830 -5.787 7 HG12 ILE 2 2HG1 ILE 2 -27.337 4.113 -5.838 8 HG13 ILE 2 3HG1 ILE 2 -26.332 4.201 -7.271 9 HG21 ILE 2 1HG2 ILE 2 -25.383 1.900 -8.111 10 HG22 ILE 2 2HG2 ILE 2 -24.927 0.719 -6.861 11 HG23 ILE 2 3HG2 ILE 2 -26.602 0.778 -7.461 12 HD11 ILE 2 1HD1 ILE 2 -28.722 3.814 -7.850 13 HD12 ILE 2 2HD1 ILE 2 -27.699 2.457 -8.378 14 HD13 ILE 2 3HD1 ILE 2 -28.696 2.301 -6.912 15 H GLY 3 HN GLY 3 -24.492 1.522 -3.677 16 HA2 GLY 3 1HA GLY 3 -24.140 -0.525 -2.274 17 HA3 GLY 3 2HA GLY 3 -24.540 -1.435 -3.718 18 H ALA 4 HN ALA 4 -23.085 1.258 -4.971 19 HA ALA 4 HA ALA 4 -20.654 -0.149 -5.472 20 HB1 ALA 4 1HB ALA 4 -20.400 2.515 -6.339 21 HB2 ALA 4 2HB ALA 4 -20.924 1.118 -7.311 22 HB3 ALA 4 3HB ALA 4 -22.134 2.143 -6.499 23 H PHE 5 HN PHE 5 -21.792 1.587 -2.817 24 HA PHE 5 HA PHE 5 -19.454 3.088 -2.227 25 HB2 PHE 5 2HB PHE 5 -21.994 2.130 -0.834 26 HB3 PHE 5 3HB PHE 5 -20.733 2.857 0.143 27 HD1 PHE 5 1HD PHE 5 -19.767 5.124 -1.133 28 HD2 PHE 5 2HD PHE 5 -23.708 3.564 -1.348 29 HE1 PHE 5 1HE PHE 5 -20.639 7.407 -1.707 30 HE2 PHE 5 2HE PHE 5 -24.580 5.847 -1.922 31 HZ PHE 5 HZ PHE 5 -23.036 7.741 -2.095 32 H GLY 6 HN GLY 6 -20.403 -0.268 -1.900 33 HA2 GLY 6 1HA GLY 6 -18.835 -0.948 0.359 34 HA3 GLY 6 2HA GLY 6 -19.466 -2.034 -0.864 35 H LEU 7 HN LEU 7 -18.276 -1.304 -3.223 36 HA LEU 7 HA LEU 7 -15.761 -2.416 -3.033 37 HB2 LEU 7 2HB LEU 7 -17.200 -2.295 -5.042 38 HB3 LEU 7 3HB LEU 7 -16.837 -0.586 -5.181 39 HG LEU 7 HG LEU 7 -14.331 -1.866 -5.053 40 HD11 LEU 7 1HD1 LEU 7 -15.688 -3.206 -7.322 41 HD12 LEU 7 2HD1 LEU 7 -14.333 -3.747 -6.301 42 HD13 LEU 7 3HD1 LEU 7 -16.006 -3.873 -5.703 43 HD21 LEU 7 1HD2 LEU 7 -15.455 -1.122 -7.704 44 HD22 LEU 7 2HD2 LEU 7 -15.421 0.137 -6.447 45 HD23 LEU 7 3HD2 LEU 7 -13.914 -0.673 -6.937 46 H LEU 8 HN LEU 8 -16.859 0.893 -2.495 47 HA LEU 8 HA LEU 8 -14.392 2.167 -2.887 48 HB2 LEU 8 2HB LEU 8 -17.038 2.840 -2.131 49 HB3 LEU 8 3HB LEU 8 -15.979 3.460 -0.881 50 HG LEU 8 HG LEU 8 -14.665 4.671 -2.587 51 HD11 LEU 8 1HD1 LEU 8 -16.310 4.749 -4.827 52 HD12 LEU 8 2HD1 LEU 8 -14.732 3.936 -4.686 53 HD13 LEU 8 3HD1 LEU 8 -16.232 3.023 -4.402 54 HD21 LEU 8 1HD2 LEU 8 -16.167 6.114 -1.650 55 HD22 LEU 8 2HD2 LEU 8 -16.705 6.177 -3.345 56 HD23 LEU 8 3HD2 LEU 8 -17.581 5.167 -2.172 57 H GLY 9 HN GLY 9 -15.968 0.686 0.008 58 HA2 GLY 9 1HA GLY 9 -14.076 1.415 1.908 59 HA3 GLY 9 2HA GLY 9 -15.108 0.000 1.966 60 H PHE 10 HN PHE 10 -14.041 -1.147 -0.596 61 HA PHE 10 HA PHE 10 -11.759 -2.433 0.583 62 HB2 PHE 10 2HB PHE 10 -13.037 -3.981 -0.633 63 HB3 PHE 10 3HB PHE 10 -13.706 -2.739 -1.673 64 HD1 PHE 10 1HD PHE 10 -12.825 -2.359 -3.832 65 HD2 PHE 10 2HD PHE 10 -10.721 -4.856 -1.122 66 HE1 PHE 10 1HE PHE 10 -11.311 -3.100 -5.691 67 HE2 PHE 10 2HE PHE 10 -9.207 -5.598 -2.982 68 HZ PHE 10 HZ PHE 10 -9.521 -4.711 -5.244 69 H LEU 11 HN LEU 11 -12.459 0.008 -1.910 70 HA LEU 11 HA LEU 11 -9.975 -0.176 -3.230 71 HB2 LEU 11 2HB LEU 11 -12.005 0.793 -4.201 72 HB3 LEU 11 3HB LEU 11 -11.950 2.102 -3.037 73 HG LEU 11 HG LEU 11 -11.052 2.429 -5.476 74 HD11 LEU 11 1HD1 LEU 11 -9.563 3.439 -3.037 75 HD12 LEU 11 2HD1 LEU 11 -9.480 4.146 -4.668 76 HD13 LEU 11 3HD1 LEU 11 -11.017 4.155 -3.772 77 HD21 LEU 11 1HD2 LEU 11 -8.874 1.822 -5.966 78 HD22 LEU 11 2HD2 LEU 11 -8.443 1.571 -4.257 79 HD23 LEU 11 3HD2 LEU 11 -9.480 0.392 -5.097 80 H ALA 12 HN ALA 12 -11.172 1.612 -0.365 81 HA ALA 12 HA ALA 12 -8.991 3.338 -0.113 82 HB1 ALA 12 1HB ALA 12 -11.378 2.606 1.321 83 HB2 ALA 12 2HB ALA 12 -10.013 2.656 2.461 84 HB3 ALA 12 3HB ALA 12 -10.397 4.083 1.470 85 H ALA 13 HN ALA 13 -9.402 -0.106 0.499 86 HA ALA 13 HA ALA 13 -7.231 -0.325 2.329 87 HB1 ALA 13 1HB ALA 13 -9.162 -1.908 2.182 88 HB2 ALA 13 2HB ALA 13 -8.570 -2.434 0.588 89 HB3 ALA 13 3HB ALA 13 -7.584 -2.721 2.042 90 H GLY 14 HN GLY 14 -7.600 -0.065 -1.155 91 HA2 GLY 14 1HA GLY 14 -5.310 -1.411 -2.023 92 HA3 GLY 14 2HA GLY 14 -6.113 -0.083 -2.838 93 H SER 15 HN SER 15 -5.778 1.797 -0.507 94 HA SER 15 HA SER 15 -3.367 2.894 -1.312 95 HB2 SER 15 2HB SER 15 -3.810 4.606 0.273 96 HB3 SER 15 3HB SER 15 -5.395 4.040 -0.213 97 HG SER 15 HG SER 15 -4.951 2.482 1.790 98 H LYS 16 HN LYS 16 -4.127 0.350 0.937 99 HA LYS 16 HA LYS 16 -2.102 0.668 2.813 100 HB2 LYS 16 2HB LYS 16 -3.474 -1.823 1.761 101 HB3 LYS 16 3HB LYS 16 -2.407 -1.802 3.150 102 HG2 LYS 16 2HG LYS 16 -4.430 0.327 3.322 103 HG3 LYS 16 3HG LYS 16 -5.176 -1.250 3.148 104 HD2 LYS 16 2HD LYS 16 -4.117 -2.104 5.121 105 HD3 LYS 16 3HD LYS 16 -2.934 -0.811 5.154 106 HE2 LYS 16 2HE LYS 16 -4.757 -0.536 6.875 107 HE3 LYS 16 3HE LYS 16 -4.623 0.831 5.787 108 HZ1 LYS 16 1HZ LYS 16 -6.947 -0.095 6.170 109 HZ2 LYS 16 2HZ LYS 16 -6.539 0.128 4.610 110 H LYS 17 HN LYS 17 -1.993 -0.131 -0.580 111 HA LYS 17 HA LYS 17 0.102 -1.773 -0.885 112 HB2 LYS 17 2HB LYS 17 0.647 -0.396 -2.939 113 HB3 LYS 17 3HB LYS 17 -1.004 -0.966 -2.803 114 HG2 LYS 17 2HG LYS 17 -1.579 1.211 -3.187 115 HG3 LYS 17 3HG LYS 17 -1.196 1.455 -1.494 116 HD2 LYS 17 2HD LYS 17 0.352 2.969 -2.184 117 HD3 LYS 17 3HD LYS 17 1.316 1.606 -2.719 118 HE2 LYS 17 2HE LYS 17 -0.852 2.578 -4.572 119 HE3 LYS 17 3HE LYS 17 0.572 3.586 -4.400 120 HZ1 LYS 17 1HZ LYS 17 0.854 0.694 -4.942 121 HZ2 LYS 17 2HZ LYS 17 0.624 1.744 -6.165 122 H21 ACA 18 1HA ACA 18 5.930 1.146 3.720 123 H22 ACA 18 2HA ACA 18 6.223 -0.196 2.632 124 H31 ACA 18 2HB ACA 18 6.002 1.796 0.788 125 H32 ACA 18 3HB ACA 18 5.011 2.492 2.054 126 H41 ACA 18 2HG ACA 18 4.324 -0.310 1.802 127 H42 ACA 18 3HG ACA 18 4.314 0.404 0.201 128 H51 ACA 18 2HD ACA 18 3.011 2.007 2.380 129 H52 ACA 18 3HD ACA 18 2.189 0.535 1.902 130 H61 ACA 18 2HE ACA 18 2.001 2.955 0.729 131 H62 ACA 18 3HE ACA 18 3.412 2.245 -0.740 132 HN61 ACA 18 HN ACA 18 0.448 1.831 -0.514 133 H LYS 19 HN LYS 19 8.600 -0.430 3.162 134 HA LYS 19 HA LYS 19 8.876 1.955 4.744 135 HB2 LYS 19 2HB LYS 19 10.330 -0.702 4.910 136 HB3 LYS 19 3HB LYS 19 10.376 0.577 6.107 137 HG2 LYS 19 2HG LYS 19 7.619 0.149 5.669 138 HG3 LYS 19 3HG LYS 19 8.308 -1.461 5.641 139 HD2 LYS 19 2HD LYS 19 7.955 -1.211 7.932 140 HD3 LYS 19 3HD LYS 19 9.608 -0.639 7.813 141 HE2 LYS 19 2HE LYS 19 8.401 1.722 7.366 142 HE3 LYS 19 3HE LYS 19 7.072 0.951 8.209 143 HZ1 LYS 19 1HZ LYS 19 9.814 1.377 9.254 144 HZ2 LYS 19 2HZ LYS 19 8.428 1.994 9.848 145 H ASN 20 HN ASN 20 10.899 -0.005 2.470 146 HA ASN 20 HA ASN 20 12.393 2.427 1.988 147 HB2 ASN 20 2HB ASN 20 13.477 0.487 3.606 148 HB3 ASN 20 3HB ASN 20 13.984 -0.122 2.042 149 HD21 ASN 20 1HD2 ASN 20 15.228 1.346 4.462 150 HD22 ASN 20 2HD2 ASN 20 16.236 2.564 3.755 151 H GLU 21 HN GLU 21 13.498 2.350 -0.177 152 HA GLU 21 HA GLU 21 11.944 1.240 -2.124 153 HB2 GLU 21 2HB GLU 21 14.839 2.172 -2.151 154 HB3 GLU 21 3HB GLU 21 14.012 1.671 -3.612 155 HG2 GLU 21 2HG GLU 21 12.154 3.369 -2.938 156 HG3 GLU 21 3HG GLU 21 13.308 3.998 -1.779 157 HE2 GLU 21 2HE GLU 21 13.603 5.628 -5.136 158 H GLN 22 HN GLN 22 14.853 -0.062 -0.473 159 HA GLN 22 HA GLN 22 15.268 -2.183 -2.209 160 HB2 GLN 22 2HB GLN 22 16.218 -1.304 0.426 161 HB3 GLN 22 3HB GLN 22 16.102 -3.050 0.339 162 HG2 GLN 22 2HG GLN 22 17.328 -2.807 -1.970 163 HG3 GLN 22 3HG GLN 22 17.726 -1.188 -1.431 164 HE21 GLN 22 1HE2 GLN 22 19.546 -3.292 -1.979 165 HE22 GLN 22 2HE2 GLN 22 20.412 -3.678 -0.529 166 H GLU 23 HN GLU 23 13.205 -1.800 0.718 167 HA GLU 23 HA GLU 23 12.508 -4.502 0.867 168 HB2 GLU 23 2HB GLU 23 11.404 -1.929 2.000 169 HB3 GLU 23 3HB GLU 23 10.461 -3.397 2.163 170 HG2 GLU 23 2HG GLU 23 13.175 -4.061 2.843 171 HG3 GLU 23 3HG GLU 23 12.788 -2.570 3.678 172 HE2 GLU 23 2HE GLU 23 11.983 -5.744 3.200 173 H LEU 24 HN LEU 24 11.241 -1.702 -0.950 174 HA LEU 24 HA LEU 24 8.808 -2.945 -1.692 175 HB2 LEU 24 2HB LEU 24 10.333 -0.503 -2.445 176 HB3 LEU 24 3HB LEU 24 9.120 -1.080 -3.570 177 HG LEU 24 HG LEU 24 7.362 -0.802 -1.989 178 HD11 LEU 24 1HD1 LEU 24 8.807 -1.657 -0.047 179 HD12 LEU 24 2HD1 LEU 24 9.289 0.043 0.170 180 HD13 LEU 24 3HD1 LEU 24 7.576 -0.421 0.307 181 HD21 LEU 24 1HD2 LEU 24 8.968 1.327 -2.864 182 HD22 LEU 24 2HD2 LEU 24 7.264 1.386 -2.350 183 HD23 LEU 24 3HD2 LEU 24 8.562 1.695 -1.170 184 H LEU 25 HN LEU 25 12.061 -2.602 -3.228 185 HA LEU 25 HA LEU 25 11.439 -3.760 -5.652 186 HB2 LEU 25 2HB LEU 25 13.822 -3.137 -4.088 187 HB3 LEU 25 3HB LEU 25 14.033 -4.558 -5.093 188 HG LEU 25 HG LEU 25 12.795 -2.254 -6.471 189 HD11 LEU 25 1HD1 LEU 25 14.528 -1.275 -4.835 190 HD12 LEU 25 2HD1 LEU 25 15.742 -2.049 -5.883 191 HD13 LEU 25 3HD1 LEU 25 14.636 -0.826 -6.555 192 HD21 LEU 25 1HD2 LEU 25 15.151 -3.213 -7.739 193 HD22 LEU 25 2HD2 LEU 25 14.263 -4.620 -7.106 194 HD23 LEU 25 3HD2 LEU 25 13.451 -3.474 -8.199 195 H GLU 26 HN GLU 26 12.403 -5.286 -2.524 196 HA GLU 26 HA GLU 26 12.485 -7.866 -3.564 197 HB2 GLU 26 2HB GLU 26 11.972 -6.919 -0.709 198 HB3 GLU 26 3HB GLU 26 12.376 -8.565 -1.157 199 HG2 GLU 26 2HG GLU 26 14.295 -6.752 -2.375 200 HG3 GLU 26 3HG GLU 26 14.172 -6.389 -0.665 201 HE2 GLU 26 2HE GLU 26 15.321 -9.454 0.394 202 H LEU 27 HN LEU 27 9.891 -5.977 -1.891 203 HA LEU 27 HA LEU 27 8.027 -8.036 -1.761 204 HB2 LEU 27 2HB LEU 27 8.204 -5.383 -1.001 205 HB3 LEU 27 3HB LEU 27 6.914 -5.369 -2.187 206 HG LEU 27 HG LEU 27 5.946 -5.636 -0.018 207 HD11 LEU 27 1HD1 LEU 27 4.820 -6.862 -1.762 208 HD12 LEU 27 2HD1 LEU 27 5.907 -8.254 -1.544 209 HD13 LEU 27 3HD1 LEU 27 4.766 -7.806 -0.253 210 HD21 LEU 27 1HD2 LEU 27 6.814 -6.795 1.681 211 HD22 LEU 27 2HD2 LEU 27 7.066 -8.249 0.684 212 HD23 LEU 27 3HD2 LEU 27 8.273 -6.941 0.670 213 H ASP 28 HN ASP 28 9.127 -5.993 -4.433 214 HA ASP 28 HA ASP 28 6.896 -6.382 -6.058 215 HB2 ASP 28 2HB ASP 28 9.072 -4.802 -6.211 216 HB3 ASP 28 3HB ASP 28 9.667 -6.103 -7.222 217 HD2 ASP 28 2HD ASP 28 6.570 -6.224 -8.217 218 H LYS 29 HN LYS 29 10.156 -7.980 -5.808 219 HA LYS 29 HA LYS 29 9.671 -9.853 -7.852 220 HB2 LYS 29 2HB LYS 29 11.642 -9.930 -5.547 221 HB3 LYS 29 3HB LYS 29 11.686 -10.965 -6.960 222 HG2 LYS 29 2HG LYS 29 11.515 -8.456 -8.129 223 HG3 LYS 29 3HG LYS 29 12.449 -8.102 -6.689 224 HD2 LYS 29 2HD LYS 29 13.840 -10.255 -7.391 225 HD3 LYS 29 3HD LYS 29 13.131 -9.976 -8.969 226 HE2 LYS 29 2HE LYS 29 15.102 -8.289 -7.445 227 HE3 LYS 29 3HE LYS 29 15.074 -8.691 -9.150 228 HZ1 LYS 29 1HZ LYS 29 12.931 -7.235 -9.139 229 HZ2 LYS 29 2HZ LYS 29 13.523 -6.615 -7.754 230 H TRP 30 HN TRP 30 8.852 -9.678 -4.407 231 HA TRP 30 HA TRP 30 8.376 -12.417 -4.017 232 HB2 TRP 30 2HB TRP 30 8.689 -10.874 -2.180 233 HB3 TRP 30 3HB TRP 30 7.258 -9.972 -2.637 234 HD1 TRP 30 1HD TRP 30 8.285 -13.216 -0.867 235 HE1 TRP 30 1HE TRP 30 6.242 -14.323 0.386 236 HE3 TRP 30 3HE TRP 30 4.741 -10.137 -2.820 237 HZ2 TRP 30 2HZ TRP 30 3.438 -13.799 0.418 238 HZ3 TRP 30 3HZ TRP 30 2.374 -10.503 -2.125 239 HH2 TRP 30 2HH TRP 30 1.700 -12.259 -0.565 240 H ALA 31 HN ALA 31 6.014 -9.678 -4.468 241 HA ALA 31 HA ALA 31 3.805 -11.266 -4.907 242 HB1 ALA 31 1HB ALA 31 2.783 -9.254 -5.751 243 HB2 ALA 31 2HB ALA 31 3.917 -8.775 -4.465 244 HB3 ALA 31 3HB ALA 31 4.366 -8.559 -6.173 245 H SER 32 HN SER 32 6.530 -10.459 -7.016 246 HA SER 32 HA SER 32 5.416 -10.824 -9.462 247 HB2 SER 32 2HB SER 32 7.884 -10.276 -8.664 248 HB3 SER 32 3HB SER 32 8.132 -12.002 -8.836 249 HG SER 32 HG SER 32 8.491 -10.419 -10.766 250 H LEU 33 HN LEU 33 6.239 -13.213 -6.953 251 HA LEU 33 HA LEU 33 6.337 -15.516 -8.451 252 HB2 LEU 33 2HB LEU 33 5.859 -16.676 -6.428 253 HB3 LEU 33 3HB LEU 33 6.902 -15.311 -6.076 254 HG LEU 33 HG LEU 33 4.525 -14.155 -5.564 255 HD11 LEU 33 1HD1 LEU 33 2.948 -15.620 -4.572 256 HD12 LEU 33 2HD1 LEU 33 3.350 -16.311 -6.163 257 HD13 LEU 33 3HD1 LEU 33 4.056 -17.009 -4.685 258 HD21 LEU 33 1HD2 LEU 33 5.500 -15.842 -3.333 259 HD22 LEU 33 2HD2 LEU 33 6.713 -14.809 -4.127 260 HD23 LEU 33 3HD2 LEU 33 5.246 -14.082 -3.427 261 H TRP 34 HN TRP 34 3.503 -13.642 -7.268 262 HA TRP 34 HA TRP 34 1.550 -15.503 -7.941 263 HB2 TRP 34 2HB TRP 34 1.482 -12.486 -7.794 264 HB3 TRP 34 3HB TRP 34 0.059 -13.478 -8.049 265 HD1 TRP 34 1HD TRP 34 2.840 -13.069 -5.335 266 HE1 TRP 34 1HE TRP 34 1.880 -13.617 -2.939 267 HE3 TRP 34 3HE TRP 34 -1.774 -14.492 -6.930 268 HZ2 TRP 34 2HZ TRP 34 -0.643 -14.562 -1.999 269 HZ3 TRP 34 3HZ TRP 34 -3.427 -15.212 -5.209 270 HH2 TRP 34 2HH TRP 34 -2.924 -15.262 -2.818 271 H ASN 35 HN ASN 35 2.557 -12.520 -9.780 272 HA ASN 35 HA ASN 35 1.320 -13.528 -12.117 273 HB2 ASN 35 2HB ASN 35 3.344 -11.272 -12.168 274 HB3 ASN 35 3HB ASN 35 1.849 -11.419 -13.069 275 HD21 ASN 35 1HD2 ASN 35 3.290 -10.759 -9.944 276 HD22 ASN 35 2HD2 ASN 35 1.955 -9.913 -9.233 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -24.215 -3.727 -11.869 2 HA2 GLY 1 1HA GLY 1 -22.261 -3.526 -10.245 3 HA3 GLY 1 2HA GLY 1 -22.548 -1.803 -10.379 4 H ILE 2 HN ILE 2 -22.743 -3.152 -7.895 5 HA ILE 2 HA ILE 2 -25.648 -3.202 -7.469 6 HB ILE 2 HB ILE 2 -23.400 -4.807 -6.404 7 HG12 ILE 2 2HG1 ILE 2 -26.047 -5.962 -6.254 8 HG13 ILE 2 3HG1 ILE 2 -25.797 -5.239 -7.831 9 HG21 ILE 2 1HG2 ILE 2 -25.536 -3.633 -4.677 10 HG22 ILE 2 2HG2 ILE 2 -25.063 -5.329 -4.413 11 HG23 ILE 2 3HG2 ILE 2 -23.844 -4.037 -4.300 12 HD11 ILE 2 1HD1 ILE 2 -23.486 -6.443 -7.824 13 HD12 ILE 2 2HD1 ILE 2 -24.144 -7.394 -6.471 14 HD13 ILE 2 3HD1 ILE 2 -24.938 -7.443 -8.063 15 H GLY 3 HN GLY 3 -22.490 -2.271 -5.937 16 HA2 GLY 3 1HA GLY 3 -23.574 0.290 -5.187 17 HA3 GLY 3 2HA GLY 3 -23.362 -0.799 -3.830 18 H ALA 4 HN ALA 4 -21.875 1.654 -5.488 19 HA ALA 4 HA ALA 4 -19.224 0.617 -5.657 20 HB1 ALA 4 1HB ALA 4 -19.018 2.457 -6.927 21 HB2 ALA 4 2HB ALA 4 -20.684 2.919 -6.504 22 HB3 ALA 4 3HB ALA 4 -19.321 3.492 -5.511 23 H PHE 5 HN PHE 5 -21.272 1.505 -3.075 24 HA PHE 5 HA PHE 5 -19.511 2.861 -1.398 25 HB2 PHE 5 2HB PHE 5 -21.682 0.795 -0.707 26 HB3 PHE 5 3HB PHE 5 -21.149 2.102 0.331 27 HD1 PHE 5 1HD PHE 5 -21.303 4.509 -0.966 28 HD2 PHE 5 2HD PHE 5 -23.728 1.105 -1.701 29 HE1 PHE 5 1HE PHE 5 -23.097 5.990 -1.910 30 HE2 PHE 5 2HE PHE 5 -25.521 2.585 -2.643 31 HZ PHE 5 HZ PHE 5 -25.185 5.010 -2.737 32 H GLY 6 HN GLY 6 -20.352 -0.676 -1.537 33 HA2 GLY 6 1HA GLY 6 -18.555 -1.496 0.444 34 HA3 GLY 6 2HA GLY 6 -19.238 -2.493 -0.825 35 H LEU 7 HN LEU 7 -18.137 -0.773 -3.036 36 HA LEU 7 HA LEU 7 -15.598 -2.062 -3.192 37 HB2 LEU 7 2HB LEU 7 -17.173 -1.781 -5.085 38 HB3 LEU 7 3HB LEU 7 -16.889 -0.052 -5.041 39 HG LEU 7 HG LEU 7 -14.325 -1.120 -5.219 40 HD11 LEU 7 1HD1 LEU 7 -16.227 -2.745 -6.926 41 HD12 LEU 7 2HD1 LEU 7 -14.471 -2.636 -7.201 42 HD13 LEU 7 3HD1 LEU 7 -15.093 -3.338 -5.689 43 HD21 LEU 7 1HD2 LEU 7 -15.209 0.894 -6.335 44 HD22 LEU 7 2HD2 LEU 7 -14.311 -0.165 -7.448 45 HD23 LEU 7 3HD2 LEU 7 -16.091 -0.144 -7.481 46 H LEU 8 HN LEU 8 -16.833 1.083 -2.183 47 HA LEU 8 HA LEU 8 -14.392 2.481 -2.523 48 HB2 LEU 8 2HB LEU 8 -16.737 3.419 -2.372 49 HB3 LEU 8 3HB LEU 8 -16.658 3.138 -0.645 50 HG LEU 8 HG LEU 8 -16.117 5.490 -1.581 51 HD11 LEU 8 1HD1 LEU 8 -15.862 5.189 0.713 52 HD12 LEU 8 2HD1 LEU 8 -14.542 4.012 0.517 53 HD13 LEU 8 3HD1 LEU 8 -14.252 5.737 0.185 54 HD21 LEU 8 1HD2 LEU 8 -13.332 4.383 -1.881 55 HD22 LEU 8 2HD2 LEU 8 -14.457 4.459 -3.260 56 HD23 LEU 8 3HD2 LEU 8 -13.988 5.951 -2.410 57 H GLY 9 HN GLY 9 -15.738 0.307 -0.077 58 HA2 GLY 9 1HA GLY 9 -13.984 1.083 2.036 59 HA3 GLY 9 2HA GLY 9 -14.968 -0.363 1.939 60 H PHE 10 HN PHE 10 -13.833 -1.178 -0.733 61 HA PHE 10 HA PHE 10 -11.498 -2.483 0.339 62 HB2 PHE 10 2HB PHE 10 -12.436 -4.059 -1.076 63 HB3 PHE 10 3HB PHE 10 -13.573 -2.868 -1.673 64 HD1 PHE 10 1HD PHE 10 -9.933 -3.640 -2.070 65 HD2 PHE 10 2HD PHE 10 -13.577 -2.536 -3.945 66 HE1 PHE 10 1HE PHE 10 -8.792 -3.669 -4.305 67 HE2 PHE 10 2HE PHE 10 -12.436 -2.565 -6.180 68 HZ PHE 10 HZ PHE 10 -10.057 -3.131 -6.333 69 H LEU 11 HN LEU 11 -12.359 -0.032 -2.139 70 HA LEU 11 HA LEU 11 -9.876 0.036 -3.414 71 HB2 LEU 11 2HB LEU 11 -11.718 0.973 -4.510 72 HB3 LEU 11 3HB LEU 11 -12.160 1.965 -3.135 73 HG LEU 11 HG LEU 11 -11.198 3.231 -5.048 74 HD11 LEU 11 1HD1 LEU 11 -10.243 4.801 -3.702 75 HD12 LEU 11 2HD1 LEU 11 -10.987 3.771 -2.457 76 HD13 LEU 11 3HD1 LEU 11 -9.252 3.614 -2.820 77 HD21 LEU 11 1HD2 LEU 11 -9.489 1.317 -5.504 78 HD22 LEU 11 2HD2 LEU 11 -9.028 3.009 -5.807 79 HD23 LEU 11 3HD2 LEU 11 -8.476 2.186 -4.327 80 H ALA 12 HN ALA 12 -11.199 1.857 -0.587 81 HA ALA 12 HA ALA 12 -8.872 3.425 -0.258 82 HB1 ALA 12 1HB ALA 12 -11.244 2.710 1.495 83 HB2 ALA 12 2HB ALA 12 -9.938 3.785 2.050 84 HB3 ALA 12 3HB ALA 12 -10.924 4.236 0.638 85 H ALA 13 HN ALA 13 -9.834 0.146 0.661 86 HA ALA 13 HA ALA 13 -7.887 -0.123 2.724 87 HB1 ALA 13 1HB ALA 13 -9.228 -1.879 3.128 88 HB2 ALA 13 2HB ALA 13 -10.077 -1.610 1.587 89 HB3 ALA 13 3HB ALA 13 -8.636 -2.654 1.639 90 H GLY 14 HN GLY 14 -7.967 -0.425 -0.804 91 HA2 GLY 14 1HA GLY 14 -5.496 -1.929 -0.930 92 HA3 GLY 14 2HA GLY 14 -6.443 -1.300 -2.265 93 H SER 15 HN SER 15 -6.655 1.456 -1.498 94 HA SER 15 HA SER 15 -4.399 2.471 -2.601 95 HB2 SER 15 2HB SER 15 -5.429 4.496 -2.316 96 HB3 SER 15 3HB SER 15 -6.789 3.500 -1.835 97 HG SER 15 HG SER 15 -5.134 5.165 -0.278 98 H LYS 16 HN LYS 16 -5.133 1.743 0.830 99 HA LYS 16 HA LYS 16 -2.866 3.090 1.866 100 HB2 LYS 16 2HB LYS 16 -4.687 0.963 3.026 101 HB3 LYS 16 3HB LYS 16 -3.422 1.768 3.931 102 HG2 LYS 16 2HG LYS 16 -5.324 3.541 2.427 103 HG3 LYS 16 3HG LYS 16 -5.981 2.693 3.813 104 HD2 LYS 16 2HD LYS 16 -3.372 4.253 3.996 105 HD3 LYS 16 3HD LYS 16 -4.923 5.036 4.222 106 HE2 LYS 16 2HE LYS 16 -5.450 3.301 6.022 107 HE3 LYS 16 3HE LYS 16 -3.808 2.713 5.861 108 HZ1 LYS 16 1HZ LYS 16 -3.073 5.043 6.376 109 HZ2 LYS 16 2HZ LYS 16 -4.617 5.438 6.711 110 H LYS 17 HN LYS 17 -3.458 -0.046 0.362 111 HA LYS 17 HA LYS 17 -0.977 -1.135 1.356 112 HB2 LYS 17 2HB LYS 17 -3.388 -2.128 0.006 113 HB3 LYS 17 3HB LYS 17 -1.911 -2.831 -0.621 114 HG2 LYS 17 2HG LYS 17 -1.853 -2.663 2.316 115 HG3 LYS 17 3HG LYS 17 -3.247 -3.565 1.756 116 HD2 LYS 17 2HD LYS 17 -1.973 -5.318 1.018 117 HD3 LYS 17 3HD LYS 17 -0.774 -4.267 0.291 118 HE2 LYS 17 2HE LYS 17 -0.983 -4.760 3.299 119 HE3 LYS 17 3HE LYS 17 0.081 -5.666 2.242 120 HZ1 LYS 17 1HZ LYS 17 1.228 -3.622 1.676 121 HZ2 LYS 17 2HZ LYS 17 0.178 -2.709 2.522 122 H21 ACA 18 1HA ACA 18 1.773 1.213 -4.232 123 H22 ACA 18 2HA ACA 18 0.693 -0.100 -4.657 124 H31 ACA 18 2HB ACA 18 -0.980 1.322 -5.308 125 H32 ACA 18 3HB ACA 18 0.121 2.375 -6.173 126 H41 ACA 18 2HG ACA 18 -0.560 3.786 -4.437 127 H42 ACA 18 3HG ACA 18 0.910 3.116 -3.758 128 H51 ACA 18 2HD ACA 18 -1.964 2.405 -3.104 129 H52 ACA 18 3HD ACA 18 -0.684 2.887 -2.008 130 H61 ACA 18 2HE ACA 18 -0.920 0.344 -3.562 131 H62 ACA 18 3HE ACA 18 0.949 0.592 -2.514 132 HN61 ACA 18 HN ACA 18 -2.194 0.709 -1.379 133 H LYS 19 HN LYS 19 0.260 0.211 -7.492 134 HA LYS 19 HA LYS 19 2.593 -1.542 -7.164 135 HB2 LYS 19 2HB LYS 19 -0.330 -2.082 -7.526 136 HB3 LYS 19 3HB LYS 19 0.816 -3.215 -8.214 137 HG2 LYS 19 2HG LYS 19 1.075 -2.275 -5.332 138 HG3 LYS 19 3HG LYS 19 0.020 -3.609 -5.757 139 HD2 LYS 19 2HD LYS 19 1.770 -5.045 -6.001 140 HD3 LYS 19 3HD LYS 19 2.650 -3.921 -7.017 141 HE2 LYS 19 2HE LYS 19 3.672 -2.835 -5.152 142 HE3 LYS 19 3HE LYS 19 2.487 -3.456 -4.020 143 HZ1 LYS 19 1HZ LYS 19 3.583 -5.439 -3.875 144 HZ2 LYS 19 2HZ LYS 19 4.028 -5.476 -5.442 145 H ASN 20 HN ASN 20 0.224 -0.140 -9.504 146 HA ASN 20 HA ASN 20 2.217 -0.693 -11.559 147 HB2 ASN 20 2HB ASN 20 -0.560 -1.325 -11.472 148 HB3 ASN 20 3HB ASN 20 -0.446 0.031 -12.576 149 HD21 ASN 20 1HD2 ASN 20 -0.965 -1.218 -14.343 150 HD22 ASN 20 2HD2 ASN 20 0.128 -2.346 -15.072 151 H GLU 21 HN GLU 21 2.349 1.052 -13.296 152 HA GLU 21 HA GLU 21 2.726 3.519 -12.255 153 HB2 GLU 21 2HB GLU 21 3.299 2.415 -14.614 154 HB3 GLU 21 3HB GLU 21 1.856 3.263 -15.135 155 HG2 GLU 21 2HG GLU 21 3.083 5.274 -13.744 156 HG3 GLU 21 3HG GLU 21 4.496 4.369 -14.248 157 HE2 GLU 21 2HE GLU 21 3.902 3.499 -16.542 158 H GLN 22 HN GLN 22 -0.249 2.125 -13.707 159 HA GLN 22 HA GLN 22 -1.704 4.394 -14.024 160 HB2 GLN 22 2HB GLN 22 -2.331 1.518 -13.487 161 HB3 GLN 22 3HB GLN 22 -3.643 2.651 -13.227 162 HG2 GLN 22 2HG GLN 22 -3.888 2.100 -15.509 163 HG3 GLN 22 3HG GLN 22 -3.015 3.619 -15.577 164 HE21 GLN 22 1HE2 GLN 22 -2.113 3.190 -17.554 165 HE22 GLN 22 2HE2 GLN 22 -0.845 2.038 -17.808 166 H GLU 23 HN GLU 23 -1.512 2.293 -11.063 167 HA GLU 23 HA GLU 23 -3.203 3.759 -9.507 168 HB2 GLU 23 2HB GLU 23 -1.379 1.598 -9.172 169 HB3 GLU 23 3HB GLU 23 -0.976 2.759 -7.923 170 HG2 GLU 23 2HG GLU 23 -3.859 1.935 -8.445 171 HG3 GLU 23 3HG GLU 23 -2.820 0.994 -7.394 172 HE2 GLU 23 2HE GLU 23 -3.866 4.536 -7.496 173 H LEU 24 HN LEU 24 0.156 4.401 -10.462 174 HA LEU 24 HA LEU 24 0.589 6.384 -8.456 175 HB2 LEU 24 2HB LEU 24 2.049 5.360 -10.854 176 HB3 LEU 24 3HB LEU 24 2.515 6.909 -10.178 177 HG LEU 24 HG LEU 24 3.071 5.915 -8.060 178 HD11 LEU 24 1HD1 LEU 24 1.606 3.548 -9.145 179 HD12 LEU 24 2HD1 LEU 24 2.957 3.274 -8.020 180 HD13 LEU 24 3HD1 LEU 24 1.572 4.276 -7.522 181 HD21 LEU 24 1HD2 LEU 24 4.245 4.894 -10.564 182 HD22 LEU 24 2HD2 LEU 24 5.013 5.671 -9.158 183 HD23 LEU 24 3HD2 LEU 24 4.620 3.935 -9.111 184 H LEU 25 HN LEU 25 -0.633 6.271 -11.812 185 HA LEU 25 HA LEU 25 -0.537 9.078 -12.186 186 HB2 LEU 25 2HB LEU 25 -0.511 7.429 -14.004 187 HB3 LEU 25 3HB LEU 25 -2.145 6.944 -13.597 188 HG LEU 25 HG LEU 25 -2.023 9.808 -14.030 189 HD11 LEU 25 1HD1 LEU 25 -1.044 8.075 -16.315 190 HD12 LEU 25 2HD1 LEU 25 -1.517 9.787 -16.432 191 HD13 LEU 25 3HD1 LEU 25 -0.107 9.318 -15.450 192 HD21 LEU 25 1HD2 LEU 25 -4.136 8.998 -14.236 193 HD22 LEU 25 2HD2 LEU 25 -3.652 8.930 -15.948 194 HD23 LEU 25 3HD2 LEU 25 -3.603 7.457 -14.950 195 H GLU 26 HN GLU 26 -2.717 6.836 -10.564 196 HA GLU 26 HA GLU 26 -5.030 8.329 -10.697 197 HB2 GLU 26 2HB GLU 26 -3.992 6.064 -9.155 198 HB3 GLU 26 3HB GLU 26 -5.034 7.071 -8.169 199 HG2 GLU 26 2HG GLU 26 -6.047 6.525 -10.927 200 HG3 GLU 26 3HG GLU 26 -5.943 5.120 -9.885 201 HE2 GLU 26 2HE GLU 26 -8.787 6.243 -10.269 202 H LEU 27 HN LEU 27 -2.310 8.381 -8.310 203 HA LEU 27 HA LEU 27 -3.377 10.151 -6.506 204 HB2 LEU 27 2HB LEU 27 -1.030 8.826 -6.817 205 HB3 LEU 27 3HB LEU 27 -0.510 10.468 -7.133 206 HG LEU 27 HG LEU 27 -0.170 9.925 -4.805 207 HD11 LEU 27 1HD1 LEU 27 -0.878 12.239 -5.473 208 HD12 LEU 27 2HD1 LEU 27 -2.530 11.813 -4.967 209 HD13 LEU 27 3HD1 LEU 27 -1.206 11.810 -3.777 210 HD21 LEU 27 1HD2 LEU 27 -2.642 9.756 -3.587 211 HD22 LEU 27 2HD2 LEU 27 -2.835 8.748 -5.041 212 HD23 LEU 27 3HD2 LEU 27 -1.522 8.406 -3.889 213 H ASP 28 HN ASP 28 -2.047 10.716 -9.760 214 HA ASP 28 HA ASP 28 -1.661 13.435 -9.521 215 HB2 ASP 28 2HB ASP 28 -1.003 11.825 -11.435 216 HB3 ASP 28 3HB ASP 28 -2.647 11.994 -12.021 217 HD2 ASP 28 2HD ASP 28 -1.270 12.598 -13.722 218 H LYS 29 HN LYS 29 -4.489 11.458 -10.672 219 HA LYS 29 HA LYS 29 -6.149 13.605 -11.301 220 HB2 LYS 29 2HB LYS 29 -6.925 10.813 -10.408 221 HB3 LYS 29 3HB LYS 29 -7.944 11.947 -11.271 222 HG2 LYS 29 2HG LYS 29 -6.294 11.957 -13.171 223 HG3 LYS 29 3HG LYS 29 -5.315 10.785 -12.311 224 HD2 LYS 29 2HD LYS 29 -6.806 9.040 -12.688 225 HD3 LYS 29 3HD LYS 29 -8.212 10.085 -12.666 226 HE2 LYS 29 2HE LYS 29 -6.451 10.756 -14.916 227 HE3 LYS 29 3HE LYS 29 -6.891 9.060 -14.955 228 HZ1 LYS 29 1HZ LYS 29 -9.013 9.594 -15.467 229 HZ2 LYS 29 2HZ LYS 29 -9.125 10.771 -14.347 230 H TRP 30 HN TRP 30 -5.298 12.045 -8.224 231 HA TRP 30 HA TRP 30 -7.458 13.064 -6.736 232 HB2 TRP 30 2HB TRP 30 -6.137 11.181 -5.984 233 HB3 TRP 30 3HB TRP 30 -4.691 12.169 -5.911 234 HD1 TRP 30 1HD TRP 30 -7.906 11.461 -3.943 235 HE1 TRP 30 1HE TRP 30 -7.814 12.515 -1.526 236 HE3 TRP 30 3HE TRP 30 -3.640 14.122 -4.696 237 HZ2 TRP 30 2HZ TRP 30 -6.008 14.304 -0.229 238 HZ3 TRP 30 3HZ TRP 30 -2.780 15.497 -2.802 239 HH2 TRP 30 2HH TRP 30 -3.891 15.614 -0.628 240 H ALA 31 HN ALA 31 -3.957 14.079 -6.804 241 HA ALA 31 HA ALA 31 -4.316 16.459 -5.463 242 HB1 ALA 31 1HB ALA 31 -2.177 17.065 -6.883 243 HB2 ALA 31 2HB ALA 31 -2.109 15.750 -5.686 244 HB3 ALA 31 3HB ALA 31 -2.294 15.371 -7.415 245 H SER 32 HN SER 32 -5.055 15.552 -8.803 246 HA SER 32 HA SER 32 -5.000 17.976 -10.020 247 HB2 SER 32 2HB SER 32 -6.114 16.916 -11.730 248 HB3 SER 32 3HB SER 32 -5.724 15.493 -10.785 249 HG SER 32 HG SER 32 -8.183 16.503 -11.420 250 H LEU 33 HN LEU 33 -7.320 16.663 -7.662 251 HA LEU 33 HA LEU 33 -9.480 18.306 -8.100 252 HB2 LEU 33 2HB LEU 33 -10.135 17.793 -5.869 253 HB3 LEU 33 3HB LEU 33 -9.418 16.370 -6.598 254 HG LEU 33 HG LEU 33 -7.232 17.343 -5.363 255 HD11 LEU 33 1HD1 LEU 33 -9.450 18.111 -3.456 256 HD12 LEU 33 2HD1 LEU 33 -7.695 18.347 -3.266 257 HD13 LEU 33 3HD1 LEU 33 -8.592 19.283 -4.486 258 HD21 LEU 33 1HD2 LEU 33 -7.391 15.522 -4.012 259 HD22 LEU 33 2HD2 LEU 33 -9.092 15.835 -3.591 260 HD23 LEU 33 3HD2 LEU 33 -8.683 15.115 -5.167 261 H TRP 34 HN TRP 34 -6.413 18.938 -6.325 262 HA TRP 34 HA TRP 34 -7.201 21.425 -5.291 263 HB2 TRP 34 2HB TRP 34 -4.474 20.273 -5.897 264 HB3 TRP 34 3HB TRP 34 -4.738 21.785 -5.049 265 HD1 TRP 34 1HD TRP 34 -5.384 17.985 -4.560 266 HE1 TRP 34 1HE TRP 34 -5.595 17.392 -1.997 267 HE3 TRP 34 3HE TRP 34 -5.221 22.787 -2.896 268 HZ2 TRP 34 2HZ TRP 34 -5.669 18.962 0.385 269 HZ3 TRP 34 3HZ TRP 34 -5.369 23.170 -0.437 270 HH2 TRP 34 2HH TRP 34 -5.586 21.352 1.183 271 H ASN 35 HN ASN 35 -5.645 20.340 -8.359 272 HA ASN 35 HA ASN 35 -5.633 23.089 -9.252 273 HB2 ASN 35 2HB ASN 35 -4.731 20.832 -11.035 274 HB3 ASN 35 3HB ASN 35 -4.029 22.426 -10.835 275 HD21 ASN 35 1HD2 ASN 35 -3.315 19.365 -10.494 276 HD22 ASN 35 2HD2 ASN 35 -2.301 19.348 -9.089 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 -22.934 -9.236 -2.133 2 HA2 GLY 1 1HA GLY 1 -25.322 -8.405 -3.670 3 HA3 GLY 1 2HA GLY 1 -24.888 -7.712 -2.120 4 H ILE 2 HN ILE 2 -25.028 -6.726 -5.111 5 HA ILE 2 HA ILE 2 -22.289 -5.821 -5.440 6 HB ILE 2 HB ILE 2 -24.027 -6.697 -7.236 7 HG12 ILE 2 2HG1 ILE 2 -22.250 -4.372 -7.967 8 HG13 ILE 2 3HG1 ILE 2 -21.577 -5.897 -7.429 9 HG21 ILE 2 1HG2 ILE 2 -25.463 -4.574 -6.527 10 HG22 ILE 2 2HG2 ILE 2 -24.428 -3.787 -7.743 11 HG23 ILE 2 3HG2 ILE 2 -25.431 -5.186 -8.198 12 HD11 ILE 2 1HD1 ILE 2 -21.800 -5.727 -9.934 13 HD12 ILE 2 2HD1 ILE 2 -22.686 -7.107 -9.244 14 HD13 ILE 2 3HD1 ILE 2 -23.565 -5.639 -9.731 15 H GLY 3 HN GLY 3 -22.017 -3.409 -6.048 16 HA2 GLY 3 1HA GLY 3 -23.521 -1.311 -5.572 17 HA3 GLY 3 2HA GLY 3 -23.308 -1.864 -3.923 18 H ALA 4 HN ALA 4 -22.265 0.544 -5.629 19 HA ALA 4 HA ALA 4 -19.426 0.147 -5.631 20 HB1 ALA 4 1HB ALA 4 -20.243 2.915 -5.783 21 HB2 ALA 4 2HB ALA 4 -19.556 1.878 -7.056 22 HB3 ALA 4 3HB ALA 4 -21.316 1.921 -6.798 23 H PHE 5 HN PHE 5 -21.702 0.544 -3.195 24 HA PHE 5 HA PHE 5 -20.552 2.517 -1.596 25 HB2 PHE 5 2HB PHE 5 -21.945 -0.088 -0.750 26 HB3 PHE 5 3HB PHE 5 -21.952 1.421 0.140 27 HD1 PHE 5 1HD PHE 5 -23.917 -0.609 -1.802 28 HD2 PHE 5 2HD PHE 5 -22.841 3.480 -1.439 29 HE1 PHE 5 1HE PHE 5 -26.051 0.055 -2.945 30 HE2 PHE 5 2HE PHE 5 -24.975 4.143 -2.581 31 HZ PHE 5 HZ PHE 5 -26.555 2.423 -3.320 32 H GLY 6 HN GLY 6 -20.285 -1.106 -1.324 33 HA2 GLY 6 1HA GLY 6 -18.294 -1.056 0.662 34 HA3 GLY 6 2HA GLY 6 -18.711 -2.403 -0.379 35 H LEU 7 HN LEU 7 -18.139 -1.378 -2.952 36 HA LEU 7 HA LEU 7 -15.456 -1.879 -3.186 37 HB2 LEU 7 2HB LEU 7 -17.568 -1.471 -4.870 38 HB3 LEU 7 3HB LEU 7 -16.589 -0.055 -5.197 39 HG LEU 7 HG LEU 7 -15.969 -1.701 -6.780 40 HD11 LEU 7 1HD1 LEU 7 -14.022 -0.591 -6.206 41 HD12 LEU 7 2HD1 LEU 7 -13.966 -1.303 -4.576 42 HD13 LEU 7 3HD1 LEU 7 -13.563 -2.297 -5.996 43 HD21 LEU 7 1HD2 LEU 7 -16.061 -3.900 -6.462 44 HD22 LEU 7 2HD2 LEU 7 -14.967 -3.821 -5.061 45 HD23 LEU 7 3HD2 LEU 7 -16.714 -3.553 -4.843 46 H LEU 8 HN LEU 8 -17.144 1.126 -2.345 47 HA LEU 8 HA LEU 8 -15.006 2.867 -2.894 48 HB2 LEU 8 2HB LEU 8 -17.624 3.126 -2.223 49 HB3 LEU 8 3HB LEU 8 -16.863 3.543 -0.702 50 HG LEU 8 HG LEU 8 -15.443 5.211 -2.015 51 HD11 LEU 8 1HD1 LEU 8 -17.375 5.615 -4.110 52 HD12 LEU 8 2HD1 LEU 8 -15.614 5.376 -4.219 53 HD13 LEU 8 3HD1 LEU 8 -16.705 3.970 -4.208 54 HD21 LEU 8 1HD2 LEU 8 -17.171 5.990 -0.564 55 HD22 LEU 8 2HD2 LEU 8 -17.301 6.890 -2.094 56 HD23 LEU 8 3HD2 LEU 8 -18.437 5.565 -1.742 57 H GLY 9 HN GLY 9 -15.958 0.916 -0.027 58 HA2 GLY 9 1HA GLY 9 -13.890 2.009 1.637 59 HA3 GLY 9 2HA GLY 9 -14.933 0.642 1.977 60 H PHE 10 HN PHE 10 -14.237 -0.686 -0.672 61 HA PHE 10 HA PHE 10 -11.980 -2.111 0.311 62 HB2 PHE 10 2HB PHE 10 -13.847 -3.174 -0.945 63 HB3 PHE 10 3HB PHE 10 -13.623 -2.069 -2.287 64 HD1 PHE 10 1HD PHE 10 -11.282 -4.248 -0.347 65 HD2 PHE 10 2HD PHE 10 -12.865 -3.196 -4.141 66 HE1 PHE 10 1HE PHE 10 -9.741 -5.896 -1.447 67 HE2 PHE 10 2HE PHE 10 -11.325 -4.845 -5.240 68 HZ PHE 10 HZ PHE 10 -9.781 -6.176 -3.880 69 H LEU 11 HN LEU 11 -12.408 0.737 -1.611 70 HA LEU 11 HA LEU 11 -10.118 0.390 -3.264 71 HB2 LEU 11 2HB LEU 11 -12.129 1.797 -3.764 72 HB3 LEU 11 3HB LEU 11 -11.584 2.928 -2.542 73 HG LEU 11 HG LEU 11 -9.951 2.162 -4.975 74 HD11 LEU 11 1HD1 LEU 11 -12.254 3.424 -5.263 75 HD12 LEU 11 2HD1 LEU 11 -11.289 4.823 -4.735 76 HD13 LEU 11 3HD1 LEU 11 -10.807 3.905 -6.181 77 HD21 LEU 11 1HD2 LEU 11 -9.470 3.856 -2.611 78 HD22 LEU 11 2HD2 LEU 11 -8.324 3.059 -3.716 79 HD23 LEU 11 3HD2 LEU 11 -9.069 4.609 -4.173 80 H ALA 12 HN ALA 12 -10.837 2.037 -0.137 81 HA ALA 12 HA ALA 12 -8.375 3.284 0.162 82 HB1 ALA 12 1HB ALA 12 -9.189 3.838 2.231 83 HB2 ALA 12 2HB ALA 12 -10.711 3.253 1.520 84 HB3 ALA 12 3HB ALA 12 -9.752 2.185 2.573 85 H ALA 13 HN ALA 13 -9.493 -0.042 0.993 86 HA ALA 13 HA ALA 13 -7.319 -0.877 2.444 87 HB1 ALA 13 1HB ALA 13 -8.630 -2.692 0.429 88 HB2 ALA 13 2HB ALA 13 -8.180 -3.015 2.119 89 HB3 ALA 13 3HB ALA 13 -9.602 -2.010 1.754 90 H GLY 14 HN GLY 14 -7.785 -0.744 -1.137 91 HA2 GLY 14 1HA GLY 14 -5.397 -2.010 -1.859 92 HA3 GLY 14 2HA GLY 14 -6.318 -0.879 -2.832 93 H SER 15 HN SER 15 -6.111 1.292 -0.712 94 HA SER 15 HA SER 15 -3.724 2.400 -1.701 95 HB2 SER 15 2HB SER 15 -4.780 4.298 -1.092 96 HB3 SER 15 3HB SER 15 -6.081 3.326 -0.433 97 HG SER 15 HG SER 15 -3.961 4.651 0.891 98 H LYS 16 HN LYS 16 -4.818 1.144 1.518 99 HA LYS 16 HA LYS 16 -2.489 1.744 2.912 100 HB2 LYS 16 2HB LYS 16 -4.435 -0.534 3.388 101 HB3 LYS 16 3HB LYS 16 -3.307 0.129 4.553 102 HG2 LYS 16 2HG LYS 16 -4.948 2.243 3.334 103 HG3 LYS 16 3HG LYS 16 -5.947 1.008 4.076 104 HD2 LYS 16 2HD LYS 16 -4.572 1.218 6.189 105 HD3 LYS 16 3HD LYS 16 -3.672 2.522 5.441 106 HE2 LYS 16 2HE LYS 16 -6.281 3.357 5.016 107 HE3 LYS 16 3HE LYS 16 -6.434 2.526 6.551 108 HZ1 LYS 16 1HZ LYS 16 -4.296 4.525 6.090 109 HZ2 LYS 16 2HZ LYS 16 -5.762 4.956 6.653 110 H LYS 17 HN LYS 17 -3.353 -0.953 0.733 111 HA LYS 17 HA LYS 17 -1.175 -2.590 1.429 112 HB2 LYS 17 2HB LYS 17 -3.287 -2.509 -0.628 113 HB3 LYS 17 3HB LYS 17 -1.801 -3.271 -1.158 114 HG2 LYS 17 2HG LYS 17 -1.837 -4.816 0.749 115 HG3 LYS 17 3HG LYS 17 -3.198 -3.975 1.464 116 HD2 LYS 17 2HD LYS 17 -4.151 -5.883 0.384 117 HD3 LYS 17 3HD LYS 17 -4.522 -4.535 -0.671 118 HE2 LYS 17 2HE LYS 17 -2.343 -5.134 -1.952 119 HE3 LYS 17 3HE LYS 17 -2.336 -6.627 -1.036 120 HZ1 LYS 17 1HZ LYS 17 -4.537 -5.718 -2.812 121 HZ2 LYS 17 2HZ LYS 17 -3.507 -6.941 -3.121 122 H21 ACA 18 1HA ACA 18 2.028 4.375 -2.421 123 H22 ACA 18 2HA ACA 18 3.065 3.989 -1.062 124 H31 ACA 18 2HB ACA 18 3.173 1.618 -1.768 125 H32 ACA 18 3HB ACA 18 2.237 1.975 -3.205 126 H41 ACA 18 2HG ACA 18 0.688 3.010 -1.071 127 H42 ACA 18 3HG ACA 18 1.310 1.488 -0.466 128 H51 ACA 18 2HD ACA 18 0.108 1.632 -3.249 129 H52 ACA 18 3HD ACA 18 -0.940 1.514 -1.850 130 H61 ACA 18 2HE ACA 18 0.194 -0.523 -3.198 131 H62 ACA 18 3HE ACA 18 1.715 -0.570 -1.669 132 HN61 ACA 18 HN ACA 18 -1.617 -0.900 -1.748 133 H LYS 19 HN LYS 19 4.820 2.043 -2.823 134 HA LYS 19 HA LYS 19 6.261 4.439 -1.967 135 HB2 LYS 19 2HB LYS 19 6.645 1.493 -1.398 136 HB3 LYS 19 3HB LYS 19 7.856 2.696 -1.004 137 HG2 LYS 19 2HG LYS 19 5.173 3.523 -0.112 138 HG3 LYS 19 3HG LYS 19 5.634 1.978 0.574 139 HD2 LYS 19 2HD LYS 19 7.846 3.023 1.280 140 HD3 LYS 19 3HD LYS 19 7.243 4.570 0.720 141 HE2 LYS 19 2HE LYS 19 5.384 3.125 2.545 142 HE3 LYS 19 3HE LYS 19 6.906 3.583 3.285 143 HZ1 LYS 19 1HZ LYS 19 4.789 5.253 2.915 144 HZ2 LYS 19 2HZ LYS 19 6.306 5.746 3.237 145 H ASN 20 HN ASN 20 5.886 2.203 -4.579 146 HA ASN 20 HA ASN 20 8.316 3.306 -5.731 147 HB2 ASN 20 2HB ASN 20 7.881 0.547 -5.047 148 HB3 ASN 20 3HB ASN 20 7.776 0.642 -6.794 149 HD21 ASN 20 1HD2 ASN 20 9.515 1.486 -7.999 150 HD22 ASN 20 2HD2 ASN 20 11.137 1.489 -7.391 151 H GLU 21 HN GLU 21 8.101 3.741 -8.025 152 HA GLU 21 HA GLU 21 5.494 4.165 -8.895 153 HB2 GLU 21 2HB GLU 21 7.909 5.162 -9.598 154 HB3 GLU 21 3HB GLU 21 7.724 4.002 -10.898 155 HG2 GLU 21 2HG GLU 21 5.197 5.340 -10.597 156 HG3 GLU 21 3HG GLU 21 6.437 6.578 -10.583 157 HE2 GLU 21 2HE GLU 21 5.693 7.162 -12.689 158 H GLN 22 HN GLN 22 7.950 1.628 -9.648 159 HA GLN 22 HA GLN 22 6.470 0.408 -11.651 160 HB2 GLN 22 2HB GLN 22 8.830 -0.262 -9.966 161 HB3 GLN 22 3HB GLN 22 7.973 -1.650 -10.607 162 HG2 GLN 22 2HG GLN 22 9.308 -1.273 -12.442 163 HG3 GLN 22 3HG GLN 22 8.043 -0.136 -12.863 164 HE21 GLN 22 1HE2 GLN 22 10.416 0.297 -13.932 165 HE22 GLN 22 2HE2 GLN 22 11.243 1.641 -13.219 166 H GLU 23 HN GLU 23 6.839 -0.428 -8.130 167 HA GLU 23 HA GLU 23 5.149 -2.571 -8.133 168 HB2 GLU 23 2HB GLU 23 5.726 -2.580 -5.951 169 HB3 GLU 23 3HB GLU 23 6.584 -1.078 -6.232 170 HG2 GLU 23 2HG GLU 23 4.506 0.214 -5.727 171 HG3 GLU 23 3HG GLU 23 3.632 -1.284 -5.467 172 HE2 GLU 23 2HE GLU 23 3.537 0.180 -3.590 173 H LEU 24 HN LEU 24 4.436 0.933 -8.011 174 HA LEU 24 HA LEU 24 1.699 0.587 -7.336 175 HB2 LEU 24 2HB LEU 24 3.241 2.616 -7.004 176 HB3 LEU 24 3HB LEU 24 2.916 2.984 -8.686 177 HG LEU 24 HG LEU 24 0.573 2.522 -6.887 178 HD11 LEU 24 1HD1 LEU 24 1.098 4.109 -5.429 179 HD12 LEU 24 2HD1 LEU 24 2.614 4.461 -6.293 180 HD13 LEU 24 3HD1 LEU 24 1.110 5.288 -6.762 181 HD21 LEU 24 1HD2 LEU 24 1.092 4.474 -9.147 182 HD22 LEU 24 2HD2 LEU 24 0.252 2.911 -9.286 183 HD23 LEU 24 3HD2 LEU 24 -0.456 4.217 -8.306 184 H LEU 25 HN LEU 25 3.609 0.766 -10.355 185 HA LEU 25 HA LEU 25 1.321 0.994 -12.025 186 HB2 LEU 25 2HB LEU 25 3.399 1.851 -12.783 187 HB3 LEU 25 3HB LEU 25 4.220 0.328 -12.505 188 HG LEU 25 HG LEU 25 2.892 -0.710 -14.322 189 HD11 LEU 25 1HD1 LEU 25 1.847 2.093 -14.805 190 HD12 LEU 25 2HD1 LEU 25 1.568 0.670 -15.836 191 HD13 LEU 25 3HD1 LEU 25 0.905 0.716 -14.185 192 HD21 LEU 25 1HD2 LEU 25 4.269 1.777 -15.343 193 HD22 LEU 25 2HD2 LEU 25 5.153 0.400 -14.643 194 HD23 LEU 25 3HD2 LEU 25 4.162 0.171 -16.104 195 H GLU 26 HN GLU 26 3.073 -1.638 -10.441 196 HA GLU 26 HA GLU 26 2.059 -3.643 -12.145 197 HB2 GLU 26 2HB GLU 26 3.649 -3.498 -9.628 198 HB3 GLU 26 3HB GLU 26 2.717 -4.968 -9.827 199 HG2 GLU 26 2HG GLU 26 4.132 -4.125 -12.297 200 HG3 GLU 26 3HG GLU 26 5.210 -4.482 -10.962 201 HE2 GLU 26 2HE GLU 26 4.462 -6.388 -9.786 202 H LEU 27 HN LEU 27 1.035 -2.121 -9.063 203 HA LEU 27 HA LEU 27 -1.099 -4.004 -8.691 204 HB2 LEU 27 2HB LEU 27 0.336 -2.230 -7.094 205 HB3 LEU 27 3HB LEU 27 -1.268 -1.528 -7.179 206 HG LEU 27 HG LEU 27 -0.986 -2.988 -5.228 207 HD11 LEU 27 1HD1 LEU 27 -2.921 -4.692 -6.467 208 HD12 LEU 27 2HD1 LEU 27 -3.172 -3.328 -5.352 209 HD13 LEU 27 3HD1 LEU 27 -3.111 -3.044 -7.108 210 HD21 LEU 27 1HD2 LEU 27 -0.792 -5.339 -7.117 211 HD22 LEU 27 2HD2 LEU 27 0.634 -4.550 -6.399 212 HD23 LEU 27 3HD2 LEU 27 -0.586 -5.312 -5.348 213 H ASP 28 HN ASP 28 -0.557 -0.893 -10.286 214 HA ASP 28 HA ASP 28 -3.213 -0.085 -10.355 215 HB2 ASP 28 2HB ASP 28 -1.219 1.352 -10.887 216 HB3 ASP 28 3HB ASP 28 -0.965 0.438 -12.360 217 HD2 ASP 28 2HD ASP 28 -2.869 1.606 -14.293 218 H LYS 29 HN LYS 29 -1.076 -1.783 -12.773 219 HA LYS 29 HA LYS 29 -3.061 -2.143 -14.704 220 HB2 LYS 29 2HB LYS 29 -1.491 -3.469 -15.827 221 HB3 LYS 29 3HB LYS 29 -0.524 -2.310 -14.936 222 HG2 LYS 29 2HG LYS 29 -0.016 -3.944 -13.200 223 HG3 LYS 29 3HG LYS 29 -1.183 -5.081 -13.845 224 HD2 LYS 29 2HD LYS 29 1.159 -4.100 -15.524 225 HD3 LYS 29 3HD LYS 29 1.334 -5.454 -14.424 226 HE2 LYS 29 2HE LYS 29 -0.901 -5.379 -16.491 227 HE3 LYS 29 3HE LYS 29 0.696 -5.970 -16.902 228 HZ1 LYS 29 1HZ LYS 29 -0.761 -7.772 -16.145 229 HZ2 LYS 29 2HZ LYS 29 0.492 -7.616 -15.115 230 H TRP 30 HN TRP 30 -2.127 -4.004 -11.795 231 HA TRP 30 HA TRP 30 -3.548 -6.331 -12.395 232 HB2 TRP 30 2HB TRP 30 -1.860 -6.227 -10.664 233 HB3 TRP 30 3HB TRP 30 -2.811 -5.077 -9.745 234 HD1 TRP 30 1HD TRP 30 -2.629 -8.828 -10.526 235 HE1 TRP 30 1HE TRP 30 -4.202 -10.226 -8.935 236 HE3 TRP 30 3HE TRP 30 -4.969 -4.818 -8.451 237 HZ2 TRP 30 2HZ TRP 30 -6.205 -9.514 -7.030 238 HZ3 TRP 30 3HZ TRP 30 -6.722 -5.257 -6.734 239 HH2 TRP 30 2HH TRP 30 -7.351 -7.508 -6.018 240 H ALA 31 HN ALA 31 -4.454 -3.616 -10.136 241 HA ALA 31 HA ALA 31 -7.083 -4.374 -9.809 242 HB1 ALA 31 1HB ALA 31 -6.343 -2.772 -8.304 243 HB2 ALA 31 2HB ALA 31 -5.517 -1.818 -9.560 244 HB3 ALA 31 3HB ALA 31 -7.290 -1.756 -9.419 245 H SER 32 HN SER 32 -5.454 -2.783 -12.519 246 HA SER 32 HA SER 32 -7.536 -1.497 -13.689 247 HB2 SER 32 2HB SER 32 -5.001 -1.782 -14.372 248 HB3 SER 32 3HB SER 32 -5.585 -3.114 -15.349 249 HG SER 32 HG SER 32 -7.274 -1.253 -15.991 250 H LEU 33 HN LEU 33 -6.838 -4.981 -13.480 251 HA LEU 33 HA LEU 33 -8.379 -5.938 -15.546 252 HB2 LEU 33 2HB LEU 33 -8.400 -8.010 -14.374 253 HB3 LEU 33 3HB LEU 33 -6.835 -7.250 -14.167 254 HG LEU 33 HG LEU 33 -8.020 -6.365 -11.918 255 HD11 LEU 33 1HD1 LEU 33 -9.245 -9.109 -12.261 256 HD12 LEU 33 2HD1 LEU 33 -9.484 -7.949 -10.931 257 HD13 LEU 33 3HD1 LEU 33 -10.135 -7.594 -12.550 258 HD21 LEU 33 1HD2 LEU 33 -5.967 -8.045 -12.540 259 HD22 LEU 33 2HD2 LEU 33 -6.467 -7.612 -10.887 260 HD23 LEU 33 3HD2 LEU 33 -7.039 -9.128 -11.622 261 H TRP 34 HN TRP 34 -9.342 -4.883 -12.238 262 HA TRP 34 HA TRP 34 -11.983 -5.729 -12.354 263 HB2 TRP 34 2HB TRP 34 -10.623 -3.476 -10.884 264 HB3 TRP 34 3HB TRP 34 -12.330 -3.825 -10.694 265 HD1 TRP 34 1HD TRP 34 -8.923 -5.660 -10.182 266 HE1 TRP 34 1HE TRP 34 -9.107 -7.433 -8.236 267 HE3 TRP 34 3HE TRP 34 -13.905 -5.036 -9.377 268 HZ2 TRP 34 2HZ TRP 34 -11.267 -8.355 -6.615 269 HZ3 TRP 34 3HZ TRP 34 -14.974 -6.412 -7.595 270 HH2 TRP 34 2HH TRP 34 -13.739 -8.026 -6.237 271 H ASN 35 HN ASN 35 -10.364 -2.669 -13.416 272 HA ASN 35 HA ASN 35 -12.882 -1.876 -14.614 273 HB2 ASN 35 2HB ASN 35 -10.274 -0.287 -14.385 274 HB3 ASN 35 3HB ASN 35 -11.837 0.357 -14.844 275 HD21 ASN 35 1HD2 ASN 35 -9.793 -0.722 -12.279 276 HD22 ASN 35 2HD2 ASN 35 -10.782 -0.256 -10.936 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -21.056 -6.186 -8.759 2 HA2 GLY 1 1HA GLY 1 -20.456 -3.521 -8.552 3 HA3 GLY 1 2HA GLY 1 -21.511 -4.223 -9.760 4 H ILE 2 HN ILE 2 -23.020 -5.103 -6.961 5 HA ILE 2 HA ILE 2 -25.051 -3.171 -7.271 6 HB ILE 2 HB ILE 2 -24.523 -5.321 -5.227 7 HG12 ILE 2 2HG1 ILE 2 -26.549 -5.163 -7.476 8 HG13 ILE 2 3HG1 ILE 2 -25.016 -6.006 -7.577 9 HG21 ILE 2 1HG2 ILE 2 -26.729 -3.288 -5.375 10 HG22 ILE 2 2HG2 ILE 2 -27.048 -4.920 -4.742 11 HG23 ILE 2 3HG2 ILE 2 -25.825 -3.887 -3.964 12 HD11 ILE 2 1HD1 ILE 2 -25.860 -7.168 -5.324 13 HD12 ILE 2 2HD1 ILE 2 -27.457 -6.688 -5.947 14 HD13 ILE 2 3HD1 ILE 2 -26.407 -7.753 -6.913 15 H GLY 3 HN GLY 3 -23.585 -3.902 -4.072 16 HA2 GLY 3 1HA GLY 3 -23.924 -1.271 -3.138 17 HA3 GLY 3 2HA GLY 3 -22.969 -2.539 -2.394 18 H ALA 4 HN ALA 4 -22.921 0.385 -4.304 19 HA ALA 4 HA ALA 4 -20.236 0.074 -5.241 20 HB1 ALA 4 1HB ALA 4 -20.557 2.234 -6.181 21 HB2 ALA 4 2HB ALA 4 -22.149 1.444 -6.281 22 HB3 ALA 4 3HB ALA 4 -21.829 2.645 -5.006 23 H PHE 5 HN PHE 5 -21.692 0.727 -2.210 24 HA PHE 5 HA PHE 5 -19.829 2.626 -1.247 25 HB2 PHE 5 2HB PHE 5 -21.860 0.635 -0.131 26 HB3 PHE 5 3HB PHE 5 -20.815 1.490 0.986 27 HD1 PHE 5 1HD PHE 5 -20.881 4.026 0.998 28 HD2 PHE 5 2HD PHE 5 -23.777 1.673 -1.023 29 HE1 PHE 5 1HE PHE 5 -22.454 5.983 0.971 30 HE2 PHE 5 2HE PHE 5 -25.349 3.629 -1.049 31 HZ PHE 5 HZ PHE 5 -24.668 5.761 -0.051 32 H GLY 6 HN GLY 6 -20.076 -0.971 -1.163 33 HA2 GLY 6 1HA GLY 6 -17.890 -1.374 0.591 34 HA3 GLY 6 2HA GLY 6 -18.626 -2.552 -0.478 35 H LEU 7 HN LEU 7 -18.186 -0.693 -2.884 36 HA LEU 7 HA LEU 7 -15.636 -1.739 -3.571 37 HB2 LEU 7 2HB LEU 7 -17.819 -1.148 -4.971 38 HB3 LEU 7 3HB LEU 7 -16.976 0.372 -5.188 39 HG LEU 7 HG LEU 7 -16.578 -1.159 -7.048 40 HD11 LEU 7 1HD1 LEU 7 -13.872 -1.320 -6.258 41 HD12 LEU 7 2HD1 LEU 7 -14.661 -0.064 -7.243 42 HD13 LEU 7 3HD1 LEU 7 -14.547 0.130 -5.477 43 HD21 LEU 7 1HD2 LEU 7 -14.828 -3.019 -5.605 44 HD22 LEU 7 2HD2 LEU 7 -16.546 -3.157 -5.162 45 HD23 LEU 7 3HD2 LEU 7 -16.050 -3.323 -6.864 46 H LEU 8 HN LEU 8 -16.946 1.565 -2.874 47 HA LEU 8 HA LEU 8 -14.539 2.904 -3.292 48 HB2 LEU 8 2HB LEU 8 -17.190 3.459 -2.291 49 HB3 LEU 8 3HB LEU 8 -15.986 4.278 -1.315 50 HG LEU 8 HG LEU 8 -16.305 4.513 -4.320 51 HD11 LEU 8 1HD1 LEU 8 -18.037 5.602 -2.779 52 HD12 LEU 8 2HD1 LEU 8 -16.724 6.696 -2.282 53 HD13 LEU 8 3HD1 LEU 8 -17.236 6.637 -3.986 54 HD21 LEU 8 1HD2 LEU 8 -14.065 4.896 -4.141 55 HD22 LEU 8 2HD2 LEU 8 -14.669 6.527 -3.769 56 HD23 LEU 8 3HD2 LEU 8 -14.171 5.440 -2.450 57 H GLY 9 HN GLY 9 -15.717 0.897 -0.636 58 HA2 GLY 9 1HA GLY 9 -13.713 1.863 1.225 59 HA3 GLY 9 2HA GLY 9 -14.899 0.599 1.483 60 H PHE 10 HN PHE 10 -14.039 -0.567 -1.301 61 HA PHE 10 HA PHE 10 -12.076 -2.324 -0.183 62 HB2 PHE 10 2HB PHE 10 -13.605 -3.412 -1.630 63 HB3 PHE 10 3HB PHE 10 -13.793 -1.997 -2.646 64 HD1 PHE 10 1HD PHE 10 -12.614 -1.809 -4.667 65 HD2 PHE 10 2HD PHE 10 -11.452 -4.764 -1.851 66 HE1 PHE 10 1HE PHE 10 -11.071 -2.822 -6.367 67 HE2 PHE 10 2HE PHE 10 -9.910 -5.777 -3.551 68 HZ PHE 10 HZ PHE 10 -9.736 -4.794 -5.788 69 H LEU 11 HN LEU 11 -12.199 0.318 -2.615 70 HA LEU 11 HA LEU 11 -9.563 -0.156 -3.556 71 HB2 LEU 11 2HB LEU 11 -11.449 0.946 -4.797 72 HB3 LEU 11 3HB LEU 11 -11.228 2.352 -3.775 73 HG LEU 11 HG LEU 11 -10.126 2.203 -6.158 74 HD11 LEU 11 1HD1 LEU 11 -8.031 3.416 -4.839 75 HD12 LEU 11 2HD1 LEU 11 -9.562 4.191 -5.310 76 HD13 LEU 11 3HD1 LEU 11 -9.365 3.537 -3.666 77 HD21 LEU 11 1HD2 LEU 11 -7.960 1.286 -6.289 78 HD22 LEU 11 2HD2 LEU 11 -7.873 1.020 -4.531 79 HD23 LEU 11 3HD2 LEU 11 -8.964 0.028 -5.529 80 H ALA 12 HN ALA 12 -11.075 1.900 -1.033 81 HA ALA 12 HA ALA 12 -8.783 3.420 -0.482 82 HB1 ALA 12 1HB ALA 12 -10.014 3.815 1.709 83 HB2 ALA 12 2HB ALA 12 -10.947 4.176 0.236 84 HB3 ALA 12 3HB ALA 12 -11.246 2.668 1.133 85 H ALA 13 HN ALA 13 -9.771 0.123 0.307 86 HA ALA 13 HA ALA 13 -8.096 -0.193 2.561 87 HB1 ALA 13 1HB ALA 13 -10.144 -1.585 1.580 88 HB2 ALA 13 2HB ALA 13 -8.842 -2.481 0.761 89 HB3 ALA 13 3HB ALA 13 -8.868 -2.374 2.537 90 H GLY 14 HN GLY 14 -7.746 -0.932 -0.968 91 HA2 GLY 14 1HA GLY 14 -5.301 -2.178 -0.954 92 HA3 GLY 14 2HA GLY 14 -5.904 -1.154 -2.242 93 H SER 15 HN SER 15 -6.087 1.274 -0.450 94 HA SER 15 HA SER 15 -3.579 2.287 -1.009 95 HB2 SER 15 2HB SER 15 -5.733 3.586 -0.683 96 HB3 SER 15 3HB SER 15 -5.574 3.337 1.044 97 HG SER 15 HG SER 15 -3.683 4.715 -0.667 98 H LYS 16 HN LYS 16 -5.046 0.974 2.017 99 HA LYS 16 HA LYS 16 -3.097 1.675 3.809 100 HB2 LYS 16 2HB LYS 16 -4.734 -0.877 3.716 101 HB3 LYS 16 3HB LYS 16 -3.880 -0.267 5.119 102 HG2 LYS 16 2HG LYS 16 -5.678 1.719 3.810 103 HG3 LYS 16 3HG LYS 16 -6.505 0.335 4.498 104 HD2 LYS 16 2HD LYS 16 -5.539 0.744 6.697 105 HD3 LYS 16 3HD LYS 16 -4.440 1.950 6.058 106 HE2 LYS 16 2HE LYS 16 -7.305 2.502 5.475 107 HE3 LYS 16 3HE LYS 16 -6.917 2.496 7.183 108 HZ1 LYS 16 1HZ LYS 16 -5.288 4.027 5.237 109 HZ2 LYS 16 2HZ LYS 16 -6.587 4.682 5.970 110 H LYS 17 HN LYS 17 -3.174 -1.062 1.470 111 HA LYS 17 HA LYS 17 -0.790 -2.231 2.420 112 HB2 LYS 17 2HB LYS 17 -2.723 -2.649 0.267 113 HB3 LYS 17 3HB LYS 17 -1.081 -2.980 -0.246 114 HG2 LYS 17 2HG LYS 17 -1.021 -4.208 2.187 115 HG3 LYS 17 3HG LYS 17 -2.733 -4.359 1.845 116 HD2 LYS 17 2HD LYS 17 -2.276 -6.119 0.494 117 HD3 LYS 17 3HD LYS 17 -1.429 -5.035 -0.590 118 HE2 LYS 17 2HE LYS 17 0.676 -5.350 0.713 119 HE3 LYS 17 3HE LYS 17 -0.165 -6.404 1.834 120 HZ1 LYS 17 1HZ LYS 17 -0.708 -7.810 -0.198 121 HZ2 LYS 17 2HZ LYS 17 0.378 -6.927 -1.031 122 H21 ACA 18 1HA ACA 18 2.835 1.268 -5.602 123 H22 ACA 18 2HA ACA 18 1.396 2.269 -5.554 124 H31 ACA 18 2HB ACA 18 2.371 2.503 -2.947 125 H32 ACA 18 3HB ACA 18 2.775 0.845 -3.348 126 H41 ACA 18 2HG ACA 18 0.201 1.000 -4.335 127 H42 ACA 18 3HG ACA 18 0.098 2.109 -2.982 128 H51 ACA 18 2HD ACA 18 1.458 -0.539 -2.508 129 H52 ACA 18 3HD ACA 18 -0.285 -0.547 -2.688 130 H61 ACA 18 2HE ACA 18 1.421 0.444 -0.571 131 H62 ACA 18 3HE ACA 18 -0.012 2.027 -0.878 132 HN61 ACA 18 HN ACA 18 -1.412 -0.391 -0.658 133 H LYS 19 HN LYS 19 5.023 2.396 -4.847 134 HA LYS 19 HA LYS 19 3.980 4.164 -2.844 135 HB2 LYS 19 2HB LYS 19 6.264 2.370 -3.180 136 HB3 LYS 19 3HB LYS 19 6.719 3.886 -2.428 137 HG2 LYS 19 2HG LYS 19 4.341 2.205 -1.507 138 HG3 LYS 19 3HG LYS 19 5.944 2.064 -0.813 139 HD2 LYS 19 2HD LYS 19 4.360 4.675 -0.917 140 HD3 LYS 19 3HD LYS 19 4.383 3.602 0.469 141 HE2 LYS 19 2HE LYS 19 7.070 3.860 0.093 142 HE3 LYS 19 3HE LYS 19 6.552 5.391 -0.586 143 HZ1 LYS 19 1HZ LYS 19 5.747 6.094 1.447 144 HZ2 LYS 19 2HZ LYS 19 5.424 4.599 2.006 145 H ASN 20 HN ASN 20 5.695 4.414 -5.887 146 HA ASN 20 HA ASN 20 5.858 7.267 -5.409 147 HB2 ASN 20 2HB ASN 20 8.086 6.467 -7.087 148 HB3 ASN 20 3HB ASN 20 8.137 7.318 -5.557 149 HD21 ASN 20 1HD2 ASN 20 9.465 4.867 -7.018 150 HD22 ASN 20 2HD2 ASN 20 9.654 3.698 -5.754 151 H GLU 21 HN GLU 21 5.805 8.503 -7.491 152 HA GLU 21 HA GLU 21 4.054 7.510 -9.309 153 HB2 GLU 21 2HB GLU 21 5.314 9.924 -8.877 154 HB3 GLU 21 3HB GLU 21 6.028 9.448 -10.404 155 HG2 GLU 21 2HG GLU 21 3.407 8.838 -10.916 156 HG3 GLU 21 3HG GLU 21 3.186 10.147 -9.773 157 HE2 GLU 21 2HE GLU 21 4.835 9.901 -13.154 158 H GLN 22 HN GLN 22 7.648 7.372 -9.315 159 HA GLN 22 HA GLN 22 7.981 6.498 -11.893 160 HB2 GLN 22 2HB GLN 22 9.569 6.086 -9.341 161 HB3 GLN 22 3HB GLN 22 10.105 5.369 -10.848 162 HG2 GLN 22 2HG GLN 22 9.448 8.048 -11.514 163 HG3 GLN 22 3HG GLN 22 10.267 8.159 -9.968 164 HE21 GLN 22 1HE2 GLN 22 12.399 7.745 -9.791 165 HE22 GLN 22 2HE2 GLN 22 13.456 7.387 -11.115 166 H GLU 23 HN GLU 23 7.464 4.607 -8.844 167 HA GLU 23 HA GLU 23 7.719 2.117 -9.957 168 HB2 GLU 23 2HB GLU 23 6.428 3.273 -7.526 169 HB3 GLU 23 3HB GLU 23 5.860 1.682 -7.992 170 HG2 GLU 23 2HG GLU 23 8.648 1.477 -8.278 171 HG3 GLU 23 3HG GLU 23 8.464 2.481 -6.853 172 HE2 GLU 23 2HE GLU 23 5.953 0.886 -5.840 173 H LEU 24 HN LEU 24 5.005 4.425 -10.009 174 HA LEU 24 HA LEU 24 3.110 2.510 -10.944 175 HB2 LEU 24 2HB LEU 24 3.185 5.467 -10.521 176 HB3 LEU 24 3HB LEU 24 1.927 4.790 -11.536 177 HG LEU 24 HG LEU 24 0.851 3.768 -9.794 178 HD11 LEU 24 1HD1 LEU 24 3.561 3.510 -8.508 179 HD12 LEU 24 2HD1 LEU 24 2.066 3.266 -7.573 180 HD13 LEU 24 3HD1 LEU 24 2.409 2.240 -8.986 181 HD21 LEU 24 1HD2 LEU 24 1.867 6.377 -9.205 182 HD22 LEU 24 2HD2 LEU 24 0.314 5.641 -8.740 183 HD23 LEU 24 3HD2 LEU 24 1.739 5.450 -7.690 184 H LEU 25 HN LEU 25 5.440 4.801 -12.384 185 HA LEU 25 HA LEU 25 4.418 4.767 -14.976 186 HB2 LEU 25 2HB LEU 25 6.276 6.185 -13.768 187 HB3 LEU 25 3HB LEU 25 7.349 4.968 -14.427 188 HG LEU 25 HG LEU 25 5.819 5.656 -16.623 189 HD11 LEU 25 1HD1 LEU 25 4.786 7.585 -16.178 190 HD12 LEU 25 2HD1 LEU 25 5.751 7.874 -14.711 191 HD13 LEU 25 3HD1 LEU 25 6.400 8.325 -16.305 192 HD21 LEU 25 1HD2 LEU 25 8.488 6.795 -15.748 193 HD22 LEU 25 2HD2 LEU 25 8.220 5.265 -16.616 194 HD23 LEU 25 3HD2 LEU 25 7.840 6.814 -17.406 195 H GLU 26 HN GLU 26 6.223 2.388 -13.095 196 HA GLU 26 HA GLU 26 7.236 0.961 -15.268 197 HB2 GLU 26 2HB GLU 26 8.113 -0.409 -13.660 198 HB3 GLU 26 3HB GLU 26 7.601 0.866 -12.572 199 HG2 GLU 26 2HG GLU 26 5.398 -0.328 -12.260 200 HG3 GLU 26 3HG GLU 26 5.982 -1.626 -13.283 201 HE2 GLU 26 2HE GLU 26 6.903 -3.144 -12.288 202 H LEU 27 HN LEU 27 4.095 0.997 -13.582 203 HA LEU 27 HA LEU 27 3.198 -1.422 -14.825 204 HB2 LEU 27 2HB LEU 27 2.489 0.040 -12.605 205 HB3 LEU 27 3HB LEU 27 1.186 0.399 -13.722 206 HG LEU 27 HG LEU 27 0.515 -1.453 -12.384 207 HD11 LEU 27 1HD1 LEU 27 1.336 -2.768 -14.968 208 HD12 LEU 27 2HD1 LEU 27 -0.151 -2.988 -14.014 209 HD13 LEU 27 3HD1 LEU 27 0.110 -1.478 -14.920 210 HD21 LEU 27 1HD2 LEU 27 2.991 -2.063 -11.870 211 HD22 LEU 27 2HD2 LEU 27 1.751 -3.339 -11.867 212 HD23 LEU 27 3HD2 LEU 27 2.830 -3.151 -13.269 213 H ASP 28 HN ASP 28 3.162 2.067 -15.496 214 HA ASP 28 HA ASP 28 1.106 2.013 -17.359 215 HB2 ASP 28 2HB ASP 28 2.567 3.971 -16.205 216 HB3 ASP 28 3HB ASP 28 3.455 3.870 -17.712 217 HD2 ASP 28 2HD ASP 28 -0.118 3.738 -18.536 218 H LYS 29 HN LYS 29 4.737 1.968 -17.694 219 HA LYS 29 HA LYS 29 4.776 1.689 -20.466 220 HB2 LYS 29 2HB LYS 29 7.086 1.286 -20.224 221 HB3 LYS 29 3HB LYS 29 6.661 2.386 -18.929 222 HG2 LYS 29 2HG LYS 29 6.571 0.528 -17.311 223 HG3 LYS 29 3HG LYS 29 6.826 -0.645 -18.588 224 HD2 LYS 29 2HD LYS 29 9.033 0.721 -19.076 225 HD3 LYS 29 3HD LYS 29 8.793 1.379 -17.469 226 HE2 LYS 29 2HE LYS 29 9.798 -0.477 -16.634 227 HE3 LYS 29 3HE LYS 29 8.398 -1.400 -17.140 228 HZ1 LYS 29 1HZ LYS 29 9.457 -2.017 -19.124 229 HZ2 LYS 29 2HZ LYS 29 10.544 -0.807 -19.079 230 H TRP 30 HN TRP 30 4.461 -0.678 -17.799 231 HA TRP 30 HA TRP 30 4.918 -2.976 -19.316 232 HB2 TRP 30 2HB TRP 30 4.943 -2.968 -16.897 233 HB3 TRP 30 3HB TRP 30 3.247 -2.529 -16.837 234 HD1 TRP 30 1HD TRP 30 5.510 -5.567 -17.443 235 HE1 TRP 30 1HE TRP 30 4.131 -7.817 -17.441 236 HE3 TRP 30 3HE TRP 30 0.925 -3.370 -17.378 237 HZ2 TRP 30 2HZ TRP 30 1.341 -8.412 -17.413 238 HZ3 TRP 30 3HZ TRP 30 -1.076 -4.858 -17.365 239 HH2 TRP 30 2HH TRP 30 -0.921 -7.298 -17.381 240 H ALA 31 HN ALA 31 1.747 -1.576 -18.187 241 HA ALA 31 HA ALA 31 0.148 -3.140 -19.797 242 HB1 ALA 31 1HB ALA 31 -0.426 -0.263 -19.011 243 HB2 ALA 31 2HB ALA 31 -1.586 -1.594 -19.234 244 HB3 ALA 31 3HB ALA 31 -0.471 -1.608 -17.846 245 H SER 32 HN SER 32 2.152 -0.325 -20.562 246 HA SER 32 HA SER 32 0.908 0.605 -22.785 247 HB2 SER 32 2HB SER 32 3.126 1.325 -21.543 248 HB3 SER 32 3HB SER 32 3.919 0.294 -22.716 249 HG SER 32 HG SER 32 2.117 2.461 -23.391 250 H LEU 33 HN LEU 33 2.795 -2.375 -22.308 251 HA LEU 33 HA LEU 33 3.448 -2.989 -24.907 252 HB2 LEU 33 2HB LEU 33 3.651 -5.242 -24.167 253 HB3 LEU 33 3HB LEU 33 4.223 -4.170 -22.905 254 HG LEU 33 HG LEU 33 1.687 -4.487 -22.058 255 HD11 LEU 33 1HD1 LEU 33 1.218 -5.997 -24.028 256 HD12 LEU 33 2HD1 LEU 33 2.305 -7.187 -23.271 257 HD13 LEU 33 3HD1 LEU 33 0.828 -6.666 -22.425 258 HD21 LEU 33 1HD2 LEU 33 3.590 -6.700 -21.397 259 HD22 LEU 33 2HD2 LEU 33 4.049 -5.020 -21.026 260 HD23 LEU 33 3HD2 LEU 33 2.564 -5.711 -20.329 261 H TRP 34 HN TRP 34 0.323 -3.255 -23.179 262 HA TRP 34 HA TRP 34 -0.952 -4.779 -25.185 263 HB2 TRP 34 2HB TRP 34 -1.990 -3.029 -22.956 264 HB3 TRP 34 3HB TRP 34 -3.037 -3.930 -24.035 265 HD1 TRP 34 1HD TRP 34 -0.316 -4.600 -21.343 266 HE1 TRP 34 1HE TRP 34 -0.618 -6.998 -20.281 267 HE3 TRP 34 3HE TRP 34 -4.041 -6.089 -24.466 268 HZ2 TRP 34 2HZ TRP 34 -2.343 -9.198 -20.855 269 HZ3 TRP 34 3HZ TRP 34 -4.980 -8.376 -24.148 270 HH2 TRP 34 2HH TRP 34 -4.189 -9.911 -22.417 271 H ASN 35 HN ASN 35 -0.315 -1.309 -24.598 272 HA ASN 35 HA ASN 35 -2.129 -0.449 -26.583 273 HB2 ASN 35 2HB ASN 35 0.123 0.851 -25.001 274 HB3 ASN 35 3HB ASN 35 -0.627 1.727 -26.321 275 HD21 ASN 35 1HD2 ASN 35 -1.443 -0.208 -23.451 276 HD22 ASN 35 2HD2 ASN 35 -2.809 0.724 -22.934 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -25.721 0.035 -10.504 2 HA2 GLY 1 1HA GLY 1 -23.652 -0.133 -8.957 3 HA3 GLY 1 2HA GLY 1 -24.573 1.358 -8.994 4 H ILE 2 HN ILE 2 -26.075 -1.558 -7.658 5 HA ILE 2 HA ILE 2 -26.440 -0.256 -5.157 6 HB ILE 2 HB ILE 2 -28.031 -1.817 -6.346 7 HG12 ILE 2 2HG1 ILE 2 -28.663 -2.956 -4.096 8 HG13 ILE 2 3HG1 ILE 2 -27.325 -2.046 -3.424 9 HG21 ILE 2 1HG2 ILE 2 -27.481 -3.918 -6.787 10 HG22 ILE 2 2HG2 ILE 2 -25.846 -3.593 -6.164 11 HG23 ILE 2 3HG2 ILE 2 -27.105 -4.222 -5.074 12 HD11 ILE 2 1HD1 ILE 2 -28.770 -0.309 -3.211 13 HD12 ILE 2 2HD1 ILE 2 -28.689 -0.146 -4.982 14 HD13 ILE 2 3HD1 ILE 2 -29.985 -1.111 -4.235 15 H GLY 3 HN GLY 3 -25.466 -0.654 -3.159 16 HA2 GLY 3 1HA GLY 3 -23.837 -1.265 -1.736 17 HA3 GLY 3 2HA GLY 3 -23.732 -2.780 -2.609 18 H ALA 4 HN ALA 4 -23.271 0.242 -4.390 19 HA ALA 4 HA ALA 4 -20.703 -0.557 -5.240 20 HB1 ALA 4 1HB ALA 4 -20.746 1.884 -6.140 21 HB2 ALA 4 2HB ALA 4 -21.961 0.738 -6.753 22 HB3 ALA 4 3HB ALA 4 -22.410 1.928 -5.509 23 H PHE 5 HN PHE 5 -21.955 1.449 -2.584 24 HA PHE 5 HA PHE 5 -19.790 2.988 -1.989 25 HB2 PHE 5 2HB PHE 5 -21.970 1.516 -0.468 26 HB3 PHE 5 3HB PHE 5 -20.710 2.272 0.487 27 HD1 PHE 5 1HD PHE 5 -23.006 3.117 -2.337 28 HD2 PHE 5 2HD PHE 5 -21.046 4.442 1.185 29 HE1 PHE 5 1HE PHE 5 -24.201 5.318 -2.500 30 HE2 PHE 5 2HE PHE 5 -22.241 6.643 1.023 31 HZ PHE 5 HZ PHE 5 -23.804 7.055 -0.818 32 H GLY 6 HN GLY 6 -20.346 -0.490 -1.217 33 HA2 GLY 6 1HA GLY 6 -18.254 -0.916 0.541 34 HA3 GLY 6 2HA GLY 6 -18.929 -2.103 -0.556 35 H LEU 7 HN LEU 7 -18.286 -0.933 -3.083 36 HA LEU 7 HA LEU 7 -15.726 -1.877 -3.466 37 HB2 LEU 7 2HB LEU 7 -17.591 -1.492 -5.135 38 HB3 LEU 7 3HB LEU 7 -17.108 0.192 -5.170 39 HG LEU 7 HG LEU 7 -16.182 -1.032 -7.059 40 HD11 LEU 7 1HD1 LEU 7 -14.907 0.825 -5.711 41 HD12 LEU 7 2HD1 LEU 7 -13.787 -0.508 -5.339 42 HD13 LEU 7 3HD1 LEU 7 -14.102 -0.058 -7.032 43 HD21 LEU 7 1HD2 LEU 7 -14.153 -2.607 -5.796 44 HD22 LEU 7 2HD2 LEU 7 -15.742 -3.080 -5.148 45 HD23 LEU 7 3HD2 LEU 7 -15.450 -3.118 -6.904 46 H LEU 8 HN LEU 8 -16.907 1.408 -2.649 47 HA LEU 8 HA LEU 8 -14.450 2.700 -3.079 48 HB2 LEU 8 2HB LEU 8 -16.801 3.666 -2.873 49 HB3 LEU 8 3HB LEU 8 -16.596 3.537 -1.138 50 HG LEU 8 HG LEU 8 -14.644 5.034 -1.239 51 HD11 LEU 8 1HD1 LEU 8 -14.576 6.332 -3.578 52 HD12 LEU 8 2HD1 LEU 8 -13.561 4.912 -3.227 53 HD13 LEU 8 3HD1 LEU 8 -15.061 4.724 -4.167 54 HD21 LEU 8 1HD2 LEU 8 -17.231 6.035 -2.440 55 HD22 LEU 8 2HD2 LEU 8 -16.701 6.092 -0.743 56 HD23 LEU 8 3HD2 LEU 8 -15.898 7.113 -1.959 57 H GLY 9 HN GLY 9 -15.700 0.629 -0.519 58 HA2 GLY 9 1HA GLY 9 -13.918 1.507 1.530 59 HA3 GLY 9 2HA GLY 9 -14.871 0.036 1.497 60 H PHE 10 HN PHE 10 -13.910 -1.145 -0.937 61 HA PHE 10 HA PHE 10 -11.555 -2.337 0.041 62 HB2 PHE 10 2HB PHE 10 -12.813 -3.744 -1.372 63 HB3 PHE 10 3HB PHE 10 -13.394 -2.404 -2.340 64 HD1 PHE 10 1HD PHE 10 -12.631 -2.231 -4.508 65 HD2 PHE 10 2HD PHE 10 -10.205 -4.230 -1.657 66 HE1 PHE 10 1HE PHE 10 -10.998 -2.830 -6.317 67 HE2 PHE 10 2HE PHE 10 -8.572 -4.829 -3.466 68 HZ PHE 10 HZ PHE 10 -8.987 -4.122 -5.775 69 H LEU 11 HN LEU 11 -12.252 0.225 -2.374 70 HA LEU 11 HA LEU 11 -9.754 0.279 -3.588 71 HB2 LEU 11 2HB LEU 11 -11.864 1.374 -4.351 72 HB3 LEU 11 3HB LEU 11 -11.635 2.593 -3.113 73 HG LEU 11 HG LEU 11 -9.513 3.280 -4.162 74 HD11 LEU 11 1HD1 LEU 11 -10.197 1.211 -6.268 75 HD12 LEU 11 2HD1 LEU 11 -8.911 2.433 -6.399 76 HD13 LEU 11 3HD1 LEU 11 -8.817 1.176 -5.143 77 HD21 LEU 11 1HD2 LEU 11 -11.934 4.076 -4.843 78 HD22 LEU 11 2HD2 LEU 11 -10.494 4.629 -5.732 79 HD23 LEU 11 3HD2 LEU 11 -11.503 3.321 -6.396 80 H ALA 12 HN ALA 12 -10.977 1.753 -0.551 81 HA ALA 12 HA ALA 12 -8.582 3.244 -0.123 82 HB1 ALA 12 1HB ALA 12 -10.754 2.468 1.860 83 HB2 ALA 12 2HB ALA 12 -9.624 3.839 1.971 84 HB3 ALA 12 3HB ALA 12 -10.893 3.830 0.721 85 H ALA 13 HN ALA 13 -9.665 -0.053 0.391 86 HA ALA 13 HA ALA 13 -7.904 -0.641 2.539 87 HB1 ALA 13 1HB ALA 13 -8.936 -2.689 0.581 88 HB2 ALA 13 2HB ALA 13 -8.754 -2.803 2.349 89 HB3 ALA 13 3HB ALA 13 -10.077 -1.838 1.650 90 H GLY 14 HN GLY 14 -7.623 -0.375 -0.972 91 HA2 GLY 14 1HA GLY 14 -5.220 -1.943 -1.171 92 HA3 GLY 14 2HA GLY 14 -5.954 -0.937 -2.405 93 H SER 15 HN SER 15 -6.090 1.418 -0.425 94 HA SER 15 HA SER 15 -3.796 2.668 -1.246 95 HB2 SER 15 2HB SER 15 -5.459 3.303 1.232 96 HB3 SER 15 3HB SER 15 -4.387 4.416 0.408 97 HG SER 15 HG SER 15 -6.352 4.904 -0.469 98 H LYS 16 HN LYS 16 -4.499 0.701 1.657 99 HA LYS 16 HA LYS 16 -2.086 1.432 2.993 100 HB2 LYS 16 2HB LYS 16 -4.112 -0.772 3.468 101 HB3 LYS 16 3HB LYS 16 -2.742 -0.456 4.514 102 HG2 LYS 16 2HG LYS 16 -4.587 0.733 5.486 103 HG3 LYS 16 3HG LYS 16 -3.580 1.954 4.735 104 HD2 LYS 16 2HD LYS 16 -5.083 2.292 2.939 105 HD3 LYS 16 3HD LYS 16 -5.821 0.713 3.122 106 HE2 LYS 16 2HE LYS 16 -7.250 1.413 4.806 107 HE3 LYS 16 3HE LYS 16 -6.085 2.531 5.485 108 HZ1 LYS 16 1HZ LYS 16 -6.633 3.614 3.047 109 HZ2 LYS 16 2HZ LYS 16 -8.088 3.031 3.486 110 H LYS 17 HN LYS 17 -3.234 -1.374 1.024 111 HA LYS 17 HA LYS 17 -1.015 -2.969 1.301 112 HB2 LYS 17 2HB LYS 17 -3.364 -2.858 -0.319 113 HB3 LYS 17 3HB LYS 17 -2.003 -3.170 -1.379 114 HG2 LYS 17 2HG LYS 17 -1.285 -4.931 0.453 115 HG3 LYS 17 3HG LYS 17 -2.942 -4.793 1.008 116 HD2 LYS 17 2HD LYS 17 -3.808 -5.483 -1.175 117 HD3 LYS 17 3HD LYS 17 -2.211 -5.406 -1.891 118 HE2 LYS 17 2HE LYS 17 -2.476 -7.176 0.514 119 HE3 LYS 17 3HE LYS 17 -3.318 -7.713 -0.925 120 HZ1 LYS 17 1HZ LYS 17 -0.815 -8.316 -0.587 121 HZ2 LYS 17 2HZ LYS 17 -1.335 -7.930 -2.081 122 H21 ACA 18 1HA ACA 18 1.744 -1.094 -6.768 123 H22 ACA 18 2HA ACA 18 2.598 0.347 -6.254 124 H31 ACA 18 2HB ACA 18 2.699 -1.065 -3.922 125 H32 ACA 18 3HB ACA 18 1.230 -1.745 -4.593 126 H41 ACA 18 2HG ACA 18 0.772 0.914 -5.077 127 H42 ACA 18 3HG ACA 18 1.774 1.042 -3.645 128 H51 ACA 18 2HD ACA 18 -0.428 -1.006 -3.576 129 H52 ACA 18 3HD ACA 18 -0.915 0.677 -3.529 130 H61 ACA 18 2HE ACA 18 1.239 -0.444 -1.799 131 H62 ACA 18 3HE ACA 18 0.425 1.496 -1.326 132 HN61 ACA 18 HN ACA 18 -1.646 -0.383 -1.165 133 H LYS 19 HN LYS 19 3.008 -3.208 -6.896 134 HA LYS 19 HA LYS 19 4.172 -3.134 -4.283 135 HB2 LYS 19 2HB LYS 19 2.778 -5.044 -5.980 136 HB3 LYS 19 3HB LYS 19 4.177 -5.775 -5.220 137 HG2 LYS 19 2HG LYS 19 3.415 -5.116 -2.998 138 HG3 LYS 19 3HG LYS 19 2.141 -4.117 -3.666 139 HD2 LYS 19 2HD LYS 19 1.015 -6.108 -3.032 140 HD3 LYS 19 3HD LYS 19 1.225 -6.286 -4.764 141 HE2 LYS 19 2HE LYS 19 2.120 -8.325 -4.221 142 HE3 LYS 19 3HE LYS 19 3.574 -7.408 -3.881 143 HZ1 LYS 19 1HZ LYS 19 1.587 -7.652 -1.735 144 HZ2 LYS 19 2HZ LYS 19 2.517 -8.950 -2.057 145 H ASN 20 HN ASN 20 5.219 -3.878 -7.637 146 HA ASN 20 HA ASN 20 7.936 -3.859 -6.589 147 HB2 ASN 20 2HB ASN 20 7.333 -5.471 -9.066 148 HB3 ASN 20 3HB ASN 20 8.547 -5.756 -7.834 149 HD21 ASN 20 1HD2 ASN 20 8.216 -7.426 -6.598 150 HD22 ASN 20 2HD2 ASN 20 6.695 -8.121 -6.145 151 H GLU 21 HN GLU 21 9.292 -2.437 -7.749 152 HA GLU 21 HA GLU 21 8.250 -0.569 -9.404 153 HB2 GLU 21 2HB GLU 21 11.038 -1.594 -8.898 154 HB3 GLU 21 3HB GLU 21 10.808 -0.460 -10.213 155 HG2 GLU 21 2HG GLU 21 9.313 0.663 -8.111 156 HG3 GLU 21 3HG GLU 21 10.725 0.011 -7.304 157 HE2 GLU 21 2HE GLU 21 10.753 2.996 -7.655 158 H GLN 22 HN GLN 22 9.873 -3.677 -10.285 159 HA GLN 22 HA GLN 22 9.943 -3.268 -12.995 160 HB2 GLN 22 2HB GLN 22 9.854 -5.709 -11.223 161 HB3 GLN 22 3HB GLN 22 9.711 -5.927 -12.956 162 HG2 GLN 22 2HG GLN 22 11.863 -5.004 -13.386 163 HG3 GLN 22 3HG GLN 22 11.932 -4.192 -11.833 164 HE21 GLN 22 1HE2 GLN 22 14.069 -5.556 -12.456 165 HE22 GLN 22 2HE2 GLN 22 14.212 -7.051 -11.593 166 H GLU 23 HN GLU 23 7.375 -4.823 -10.956 167 HA GLU 23 HA GLU 23 5.701 -5.536 -12.986 168 HB2 GLU 23 2HB GLU 23 5.201 -4.708 -10.110 169 HB3 GLU 23 3HB GLU 23 3.870 -5.174 -11.150 170 HG2 GLU 23 2HG GLU 23 5.774 -7.191 -11.595 171 HG3 GLU 23 3HG GLU 23 5.931 -6.860 -9.882 172 HE2 GLU 23 2HE GLU 23 3.562 -9.322 -9.919 173 H LEU 24 HN LEU 24 6.291 -2.347 -11.514 174 HA LEU 24 HA LEU 24 3.985 -1.136 -12.670 175 HB2 LEU 24 2HB LEU 24 6.388 -0.237 -11.147 176 HB3 LEU 24 3HB LEU 24 5.485 0.958 -12.058 177 HG LEU 24 HG LEU 24 3.538 0.663 -10.765 178 HD11 LEU 24 1HD1 LEU 24 3.183 -1.632 -10.631 179 HD12 LEU 24 2HD1 LEU 24 4.778 -1.942 -9.903 180 HD13 LEU 24 3HD1 LEU 24 3.495 -1.166 -8.942 181 HD21 LEU 24 1HD2 LEU 24 5.919 1.437 -9.602 182 HD22 LEU 24 2HD2 LEU 24 4.290 1.690 -8.933 183 HD23 LEU 24 3HD2 LEU 24 5.251 0.280 -8.426 184 H LEU 25 HN LEU 25 7.444 -1.537 -13.546 185 HA LEU 25 HA LEU 25 7.544 0.247 -15.643 186 HB2 LEU 25 2HB LEU 25 9.196 -1.646 -14.477 187 HB3 LEU 25 3HB LEU 25 9.005 -2.232 -16.117 188 HG LEU 25 HG LEU 25 9.559 0.643 -16.014 189 HD11 LEU 25 1HD1 LEU 25 12.118 -0.304 -15.521 190 HD12 LEU 25 2HD1 LEU 25 11.110 0.663 -14.417 191 HD13 LEU 25 3HD1 LEU 25 11.120 -1.113 -14.289 192 HD21 LEU 25 1HD2 LEU 25 11.407 -1.272 -17.326 193 HD22 LEU 25 2HD2 LEU 25 9.719 -1.275 -17.893 194 HD23 LEU 25 3HD2 LEU 25 10.670 0.229 -17.938 195 H GLU 26 HN GLU 26 5.995 -2.936 -15.378 196 HA GLU 26 HA GLU 26 5.765 -3.426 -18.099 197 HB2 GLU 26 2HB GLU 26 4.008 -4.296 -15.763 198 HB3 GLU 26 3HB GLU 26 3.876 -4.955 -17.381 199 HG2 GLU 26 2HG GLU 26 6.652 -5.072 -16.707 200 HG3 GLU 26 3HG GLU 26 5.786 -5.625 -15.287 201 HE2 GLU 26 2HE GLU 26 4.601 -6.964 -18.714 202 H LEU 27 HN LEU 27 3.712 -1.605 -15.769 203 HA LEU 27 HA LEU 27 1.576 -1.197 -17.553 204 HB2 LEU 27 2HB LEU 27 2.095 -0.761 -14.883 205 HB3 LEU 27 3HB LEU 27 2.013 0.867 -15.525 206 HG LEU 27 HG LEU 27 -0.155 0.292 -14.735 207 HD11 LEU 27 1HD1 LEU 27 0.256 1.276 -17.196 208 HD12 LEU 27 2HD1 LEU 27 -0.681 -0.177 -17.622 209 HD13 LEU 27 3HD1 LEU 27 -1.365 1.028 -16.503 210 HD21 LEU 27 1HD2 LEU 27 0.500 -2.309 -15.258 211 HD22 LEU 27 2HD2 LEU 27 -1.124 -1.726 -14.819 212 HD23 LEU 27 3HD2 LEU 27 -0.700 -1.976 -16.529 213 H ASP 28 HN ASP 28 4.733 0.344 -17.084 214 HA ASP 28 HA ASP 28 4.103 2.729 -18.376 215 HB2 ASP 28 2HB ASP 28 6.177 2.065 -16.932 216 HB3 ASP 28 3HB ASP 28 6.832 1.382 -18.407 217 HD2 ASP 28 2HD ASP 28 7.055 3.510 -20.261 218 H LYS 29 HN LYS 29 5.297 -0.505 -19.419 219 HA LYS 29 HA LYS 29 5.794 0.318 -22.108 220 HB2 LYS 29 2HB LYS 29 5.559 -2.467 -20.931 221 HB3 LYS 29 3HB LYS 29 6.233 -2.054 -22.495 222 HG2 LYS 29 2HG LYS 29 7.349 -0.715 -20.020 223 HG3 LYS 29 3HG LYS 29 7.819 -2.365 -20.376 224 HD2 LYS 29 2HD LYS 29 8.377 -1.504 -22.774 225 HD3 LYS 29 3HD LYS 29 8.251 0.108 -22.098 226 HE2 LYS 29 2HE LYS 29 10.175 -0.121 -20.808 227 HE3 LYS 29 3HE LYS 29 9.949 -1.844 -20.572 228 HZ1 LYS 29 1HZ LYS 29 10.381 -1.355 -23.317 229 HZ2 LYS 29 2HZ LYS 29 11.566 -0.611 -22.484 230 H TRP 30 HN TRP 30 3.058 -0.924 -20.227 231 HA TRP 30 HA TRP 30 1.534 -1.774 -22.457 232 HB2 TRP 30 2HB TRP 30 1.134 -2.633 -20.231 233 HB3 TRP 30 3HB TRP 30 0.750 -1.030 -19.634 234 HD1 TRP 30 1HD TRP 30 -0.798 -3.894 -21.663 235 HE1 TRP 30 1HE TRP 30 -3.389 -3.541 -22.014 236 HE3 TRP 30 3HE TRP 30 -0.933 0.848 -19.831 237 HZ2 TRP 30 2HZ TRP 30 -5.165 -1.368 -21.498 238 HZ3 TRP 30 3HZ TRP 30 -3.136 2.014 -19.790 239 HH2 TRP 30 2HH TRP 30 -5.204 0.983 -20.585 240 H ALA 31 HN ALA 31 1.149 1.085 -20.228 241 HA ALA 31 HA ALA 31 -0.660 2.441 -21.803 242 HB1 ALA 31 1HB ALA 31 -0.082 2.931 -19.429 243 HB2 ALA 31 2HB ALA 31 1.482 3.590 -19.967 244 HB3 ALA 31 3HB ALA 31 -0.034 4.385 -20.454 245 H SER 32 HN SER 32 2.839 2.026 -22.133 246 HA SER 32 HA SER 32 3.483 4.214 -23.599 247 HB2 SER 32 2HB SER 32 4.558 1.533 -23.153 248 HB3 SER 32 3HB SER 32 4.872 2.048 -24.798 249 HG SER 32 HG SER 32 6.483 3.180 -23.968 250 H LEU 33 HN LEU 33 1.630 1.318 -24.521 251 HA LEU 33 HA LEU 33 1.834 1.430 -27.260 252 HB2 LEU 33 2HB LEU 33 -0.181 0.163 -27.313 253 HB3 LEU 33 3HB LEU 33 0.797 -0.370 -25.961 254 HG LEU 33 HG LEU 33 -0.762 1.402 -24.667 255 HD11 LEU 33 1HD1 LEU 33 -1.956 1.930 -26.829 256 HD12 LEU 33 2HD1 LEU 33 -2.644 0.290 -26.756 257 HD13 LEU 33 3HD1 LEU 33 -2.996 1.460 -25.462 258 HD21 LEU 33 1HD2 LEU 33 -0.439 -1.333 -24.717 259 HD22 LEU 33 2HD2 LEU 33 -1.440 -0.418 -23.564 260 HD23 LEU 33 3HD2 LEU 33 -2.183 -1.134 -25.013 261 H TRP 34 HN TRP 34 -0.178 3.371 -25.005 262 HA TRP 34 HA TRP 34 -1.779 4.592 -26.924 263 HB2 TRP 34 2HB TRP 34 -0.840 5.448 -24.190 264 HB3 TRP 34 3HB TRP 34 -1.924 6.429 -25.159 265 HD1 TRP 34 1HD TRP 34 -1.875 2.799 -23.705 266 HE1 TRP 34 1HE TRP 34 -4.318 2.021 -23.084 267 HE3 TRP 34 3HE TRP 34 -4.208 6.967 -25.447 268 HZ2 TRP 34 2HZ TRP 34 -6.896 3.210 -23.385 269 HZ3 TRP 34 3HZ TRP 34 -6.690 7.078 -25.245 270 HH2 TRP 34 2HH TRP 34 -8.029 5.288 -24.257 271 H ASN 35 HN ASN 35 1.417 5.522 -25.478 272 HA ASN 35 HA ASN 35 1.699 7.349 -27.734 273 HB2 ASN 35 2HB ASN 35 3.321 7.638 -25.188 274 HB3 ASN 35 3HB ASN 35 2.879 8.876 -26.345 275 HD21 ASN 35 1HD2 ASN 35 1.642 6.703 -23.857 276 HD22 ASN 35 2HD2 ASN 35 0.281 7.656 -23.368 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -28.932 1.453 -3.992 2 HA2 GLY 1 1HA GLY 1 -28.404 -1.184 -4.008 3 HA3 GLY 1 2HA GLY 1 -27.408 0.002 -4.828 4 H ILE 2 HN ILE 2 -27.737 -2.092 -1.992 5 HA ILE 2 HA ILE 2 -25.327 -1.098 -0.774 6 HB ILE 2 HB ILE 2 -27.249 -3.328 -0.146 7 HG12 ILE 2 2HG1 ILE 2 -27.991 -1.007 0.283 8 HG13 ILE 2 3HG1 ILE 2 -27.863 -1.969 1.742 9 HG21 ILE 2 1HG2 ILE 2 -25.942 -3.556 2.000 10 HG22 ILE 2 2HG2 ILE 2 -25.154 -4.204 0.541 11 HG23 ILE 2 3HG2 ILE 2 -24.636 -2.639 1.212 12 HD11 ILE 2 1HD1 ILE 2 -26.429 -0.459 2.624 13 HD12 ILE 2 2HD1 ILE 2 -25.297 -0.739 1.279 14 HD13 ILE 2 3HD1 ILE 2 -26.554 0.514 1.138 15 H GLY 3 HN GLY 3 -23.400 -1.509 -1.720 16 HA2 GLY 3 1HA GLY 3 -22.034 -3.732 -1.853 17 HA3 GLY 3 2HA GLY 3 -23.083 -4.002 -3.230 18 H ALA 4 HN ALA 4 -23.293 -1.087 -3.917 19 HA ALA 4 HA ALA 4 -20.981 -0.971 -5.566 20 HB1 ALA 4 1HB ALA 4 -23.414 -0.151 -5.994 21 HB2 ALA 4 2HB ALA 4 -22.925 1.295 -5.078 22 HB3 ALA 4 3HB ALA 4 -22.067 0.857 -6.575 23 H PHE 5 HN PHE 5 -22.236 1.038 -2.810 24 HA PHE 5 HA PHE 5 -20.110 2.779 -2.682 25 HB2 PHE 5 2HB PHE 5 -22.471 2.454 -1.405 26 HB3 PHE 5 3HB PHE 5 -21.489 1.618 -0.219 27 HD1 PHE 5 1HD PHE 5 -19.992 2.822 1.226 28 HD2 PHE 5 2HD PHE 5 -22.146 4.864 -1.806 29 HE1 PHE 5 1HE PHE 5 -19.397 5.018 2.283 30 HE2 PHE 5 2HE PHE 5 -21.551 7.062 -0.749 31 HZ PHE 5 HZ PHE 5 -20.183 7.113 1.283 32 H GLY 6 HN GLY 6 -20.472 -0.541 -1.369 33 HA2 GLY 6 1HA GLY 6 -18.402 -0.636 0.436 34 HA3 GLY 6 2HA GLY 6 -18.943 -1.976 -0.555 35 H LEU 7 HN LEU 7 -18.297 -0.476 -3.125 36 HA LEU 7 HA LEU 7 -15.753 -1.505 -3.521 37 HB2 LEU 7 2HB LEU 7 -17.608 -0.884 -5.179 38 HB3 LEU 7 3HB LEU 7 -16.960 0.743 -5.116 39 HG LEU 7 HG LEU 7 -14.729 -0.895 -5.589 40 HD11 LEU 7 1HD1 LEU 7 -15.564 -1.998 -7.775 41 HD12 LEU 7 2HD1 LEU 7 -15.869 -2.817 -6.224 42 HD13 LEU 7 3HD1 LEU 7 -17.174 -1.905 -7.022 43 HD21 LEU 7 1HD2 LEU 7 -16.034 0.369 -7.929 44 HD22 LEU 7 2HD2 LEU 7 -15.724 1.429 -6.535 45 HD23 LEU 7 3HD2 LEU 7 -14.381 0.542 -7.294 46 H LEU 8 HN LEU 8 -16.877 1.758 -2.530 47 HA LEU 8 HA LEU 8 -14.348 2.974 -2.759 48 HB2 LEU 8 2HB LEU 8 -16.586 4.094 -2.707 49 HB3 LEU 8 3HB LEU 8 -16.664 3.759 -0.988 50 HG LEU 8 HG LEU 8 -14.503 5.072 -0.740 51 HD11 LEU 8 1HD1 LEU 8 -15.007 6.564 -3.224 52 HD12 LEU 8 2HD1 LEU 8 -13.476 6.078 -2.458 53 HD13 LEU 8 3HD1 LEU 8 -14.373 4.918 -3.467 54 HD21 LEU 8 1HD2 LEU 8 -15.769 6.796 -0.107 55 HD22 LEU 8 2HD2 LEU 8 -16.352 7.089 -1.764 56 HD23 LEU 8 3HD2 LEU 8 -17.150 5.869 -0.742 57 H GLY 9 HN GLY 9 -15.857 0.861 -0.371 58 HA2 GLY 9 1HA GLY 9 -14.137 1.560 1.803 59 HA3 GLY 9 2HA GLY 9 -15.191 0.165 1.674 60 H PHE 10 HN PHE 10 -13.958 -0.605 -1.018 61 HA PHE 10 HA PHE 10 -11.784 -2.111 0.127 62 HB2 PHE 10 2HB PHE 10 -12.725 -3.548 -1.422 63 HB3 PHE 10 3HB PHE 10 -13.740 -2.257 -2.031 64 HD1 PHE 10 1HD PHE 10 -10.114 -3.167 -2.212 65 HD2 PHE 10 2HD PHE 10 -13.590 -1.907 -4.293 66 HE1 PHE 10 1HE PHE 10 -8.825 -3.168 -4.365 67 HE2 PHE 10 2HE PHE 10 -12.302 -1.907 -6.447 68 HZ PHE 10 HZ PHE 10 -9.934 -2.538 -6.458 69 H LEU 11 HN LEU 11 -12.319 0.595 -2.142 70 HA LEU 11 HA LEU 11 -9.855 0.570 -3.408 71 HB2 LEU 11 2HB LEU 11 -11.595 1.885 -4.282 72 HB3 LEU 11 3HB LEU 11 -11.844 2.731 -2.768 73 HG LEU 11 HG LEU 11 -9.643 3.846 -3.042 74 HD11 LEU 11 1HD1 LEU 11 -9.563 2.791 -5.865 75 HD12 LEU 11 2HD1 LEU 11 -8.295 3.630 -4.939 76 HD13 LEU 11 3HD1 LEU 11 -8.739 1.957 -4.525 77 HD21 LEU 11 1HD2 LEU 11 -10.865 5.479 -3.906 78 HD22 LEU 11 2HD2 LEU 11 -10.660 4.771 -5.525 79 HD23 LEU 11 3HD2 LEU 11 -12.051 4.301 -4.518 80 H ALA 12 HN ALA 12 -10.895 2.002 -0.268 81 HA ALA 12 HA ALA 12 -8.534 3.371 0.269 82 HB1 ALA 12 1HB ALA 12 -10.998 2.630 1.600 83 HB2 ALA 12 2HB ALA 12 -9.621 2.422 2.711 84 HB3 ALA 12 3HB ALA 12 -9.907 3.997 1.933 85 H ALA 13 HN ALA 13 -9.519 -0.050 0.812 86 HA ALA 13 HA ALA 13 -7.308 -0.769 2.363 87 HB1 ALA 13 1HB ALA 13 -9.469 -2.103 0.813 88 HB2 ALA 13 2HB ALA 13 -8.008 -3.078 1.101 89 HB3 ALA 13 3HB ALA 13 -8.906 -2.393 2.477 90 H GLY 14 HN GLY 14 -7.710 -0.100 -1.068 91 HA2 GLY 14 1HA GLY 14 -5.628 -1.630 -2.136 92 HA3 GLY 14 2HA GLY 14 -6.275 -0.141 -2.795 93 H SER 15 HN SER 15 -5.584 1.137 0.014 94 HA SER 15 HA SER 15 -3.183 2.255 -0.847 95 HB2 SER 15 2HB SER 15 -4.935 3.296 0.691 96 HB3 SER 15 3HB SER 15 -4.317 2.286 1.983 97 HG SER 15 HG SER 15 -3.222 4.230 2.176 98 H LYS 16 HN LYS 16 -4.020 -0.507 1.232 99 HA LYS 16 HA LYS 16 -1.430 -0.721 2.405 100 HB2 LYS 16 2HB LYS 16 -3.787 -2.622 2.278 101 HB3 LYS 16 3HB LYS 16 -2.320 -2.936 3.180 102 HG2 LYS 16 2HG LYS 16 -3.790 -1.971 4.783 103 HG3 LYS 16 3HG LYS 16 -2.713 -0.659 4.347 104 HD2 LYS 16 2HD LYS 16 -4.353 0.451 3.060 105 HD3 LYS 16 3HD LYS 16 -5.278 -1.012 2.783 106 HE2 LYS 16 2HE LYS 16 -6.227 0.724 4.485 107 HE3 LYS 16 3HE LYS 16 -6.259 -0.968 4.939 108 HZ1 LYS 16 1HZ LYS 16 -3.859 0.535 5.667 109 HZ2 LYS 16 2HZ LYS 16 -5.209 0.870 6.513 110 H LYS 17 HN LYS 17 -3.222 -2.440 -0.235 111 HA LYS 17 HA LYS 17 -0.723 -3.741 -0.973 112 HB2 LYS 17 2HB LYS 17 -3.622 -4.189 -1.689 113 HB3 LYS 17 3HB LYS 17 -2.327 -4.922 -2.616 114 HG2 LYS 17 2HG LYS 17 -1.557 -6.212 -0.774 115 HG3 LYS 17 3HG LYS 17 -2.327 -5.170 0.406 116 HD2 LYS 17 2HD LYS 17 -4.566 -5.956 -0.844 117 HD3 LYS 17 3HD LYS 17 -3.564 -7.308 -1.336 118 HE2 LYS 17 2HE LYS 17 -2.962 -7.105 1.376 119 HE3 LYS 17 3HE LYS 17 -4.654 -6.646 1.347 120 HZ1 LYS 17 1HZ LYS 17 -5.182 -8.707 0.227 121 HZ2 LYS 17 2HZ LYS 17 -3.614 -9.112 0.055 122 H21 ACA 18 1HA ACA 18 0.273 -1.126 -8.925 123 H22 ACA 18 2HA ACA 18 -0.574 -2.625 -9.253 124 H31 ACA 18 2HB ACA 18 -2.598 -1.368 -8.017 125 H32 ACA 18 3HB ACA 18 -1.301 -0.417 -7.323 126 H41 ACA 18 2HG ACA 18 -0.402 -3.094 -7.121 127 H42 ACA 18 3HG ACA 18 -2.105 -3.173 -6.719 128 H51 ACA 18 2HD ACA 18 -0.342 -1.033 -5.481 129 H52 ACA 18 3HD ACA 18 -0.358 -2.653 -4.815 130 H61 ACA 18 2HE ACA 18 -2.100 -0.571 -4.344 131 H62 ACA 18 3HE ACA 18 -3.484 -1.744 -5.511 132 HN61 ACA 18 HN ACA 18 -3.173 -3.010 -3.400 133 H LYS 19 HN LYS 19 -0.929 1.030 -9.767 134 HA LYS 19 HA LYS 19 -3.640 0.207 -9.521 135 HB2 LYS 19 2HB LYS 19 -2.080 2.706 -9.320 136 HB3 LYS 19 3HB LYS 19 -3.719 2.918 -9.904 137 HG2 LYS 19 2HG LYS 19 -4.291 1.242 -7.880 138 HG3 LYS 19 3HG LYS 19 -2.774 1.848 -7.246 139 HD2 LYS 19 2HD LYS 19 -4.471 4.019 -8.297 140 HD3 LYS 19 3HD LYS 19 -5.285 3.101 -7.044 141 HE2 LYS 19 2HE LYS 19 -2.533 3.555 -6.230 142 HE3 LYS 19 3HE LYS 19 -3.235 5.084 -6.724 143 HZ1 LYS 19 1HZ LYS 19 -3.617 4.024 -4.304 144 HZ2 LYS 19 2HZ LYS 19 -4.692 5.039 -4.987 145 H ASN 20 HN ASN 20 -1.503 1.285 -12.147 146 HA ASN 20 HA ASN 20 -3.671 0.678 -13.959 147 HB2 ASN 20 2HB ASN 20 -2.042 3.268 -13.950 148 HB3 ASN 20 3HB ASN 20 -2.919 2.724 -15.368 149 HD21 ASN 20 1HD2 ASN 20 -5.160 2.648 -15.372 150 HD22 ASN 20 2HD2 ASN 20 -6.136 3.501 -14.224 151 H GLU 21 HN GLU 21 -2.820 -0.781 -15.452 152 HA GLU 21 HA GLU 21 -0.096 -1.362 -15.458 153 HB2 GLU 21 2HB GLU 21 -2.535 -2.286 -16.879 154 HB3 GLU 21 3HB GLU 21 -1.056 -2.493 -17.794 155 HG2 GLU 21 2HG GLU 21 -0.369 -3.325 -15.183 156 HG3 GLU 21 3HG GLU 21 -1.990 -3.947 -15.416 157 HE2 GLU 21 2HE GLU 21 1.220 -4.113 -17.069 158 H GLN 22 HN GLN 22 -2.225 0.498 -17.704 159 HA GLN 22 HA GLN 22 -0.418 0.873 -19.715 160 HB2 GLN 22 2HB GLN 22 -2.972 1.926 -18.926 161 HB3 GLN 22 3HB GLN 22 -1.960 3.288 -19.366 162 HG2 GLN 22 2HG GLN 22 -1.383 2.132 -21.528 163 HG3 GLN 22 3HG GLN 22 -2.451 0.814 -21.090 164 HE21 GLN 22 1HE2 GLN 22 -2.700 2.379 -23.396 165 HE22 GLN 22 2HE2 GLN 22 -4.187 3.266 -23.341 166 H GLU 23 HN GLU 23 -1.043 2.974 -16.817 167 HA GLU 23 HA GLU 23 0.866 4.859 -17.434 168 HB2 GLU 23 2HB GLU 23 -0.923 4.280 -15.282 169 HB3 GLU 23 3HB GLU 23 0.658 4.506 -14.561 170 HG2 GLU 23 2HG GLU 23 -0.276 6.472 -16.661 171 HG3 GLU 23 3HG GLU 23 -0.935 6.594 -15.042 172 HE2 GLU 23 2HE GLU 23 0.988 6.534 -13.329 173 H LEU 24 HN LEU 24 1.119 1.645 -15.923 174 HA LEU 24 HA LEU 24 3.733 2.036 -14.897 175 HB2 LEU 24 2HB LEU 24 1.820 0.287 -14.371 176 HB3 LEU 24 3HB LEU 24 2.649 -0.657 -15.593 177 HG LEU 24 HG LEU 24 4.359 0.504 -13.455 178 HD11 LEU 24 1HD1 LEU 24 2.780 -1.966 -12.785 179 HD12 LEU 24 2HD1 LEU 24 3.712 -0.889 -11.717 180 HD13 LEU 24 3HD1 LEU 24 2.156 -0.347 -12.389 181 HD21 LEU 24 1HD2 LEU 24 4.504 -1.547 -15.444 182 HD22 LEU 24 2HD2 LEU 24 5.779 -0.936 -14.361 183 HD23 LEU 24 3HD2 LEU 24 4.739 -2.283 -13.839 184 H LEU 25 HN LEU 25 2.337 0.995 -18.013 185 HA LEU 25 HA LEU 25 4.588 -0.166 -19.116 186 HB2 LEU 25 2HB LEU 25 2.043 0.277 -19.895 187 HB3 LEU 25 3HB LEU 25 2.863 1.479 -20.872 188 HG LEU 25 HG LEU 25 4.236 -0.207 -21.926 189 HD11 LEU 25 1HD1 LEU 25 4.821 -1.985 -20.717 190 HD12 LEU 25 2HD1 LEU 25 3.415 -1.822 -19.637 191 HD13 LEU 25 3HD1 LEU 25 3.254 -2.687 -21.186 192 HD21 LEU 25 1HD2 LEU 25 2.319 -1.717 -22.845 193 HD22 LEU 25 2HD2 LEU 25 1.269 -0.661 -21.871 194 HD23 LEU 25 3HD2 LEU 25 2.293 0.036 -23.149 195 H GLU 26 HN GLU 26 3.671 3.272 -18.707 196 HA GLU 26 HA GLU 26 5.786 4.193 -20.334 197 HB2 GLU 26 2HB GLU 26 4.021 5.583 -18.275 198 HB3 GLU 26 3HB GLU 26 5.197 6.431 -19.260 199 HG2 GLU 26 2HG GLU 26 3.368 4.637 -20.786 200 HG3 GLU 26 3HG GLU 26 2.574 5.985 -19.997 201 HE2 GLU 26 2HE GLU 26 5.545 7.369 -22.257 202 H LEU 27 HN LEU 27 5.213 4.076 -16.747 203 HA LEU 27 HA LEU 27 7.596 5.177 -15.949 204 HB2 LEU 27 2HB LEU 27 5.492 4.461 -14.641 205 HB3 LEU 27 3HB LEU 27 6.275 2.899 -14.499 206 HG LEU 27 HG LEU 27 6.750 4.062 -12.504 207 HD11 LEU 27 1HD1 LEU 27 9.298 4.621 -13.983 208 HD12 LEU 27 2HD1 LEU 27 9.044 3.892 -12.380 209 HD13 LEU 27 3HD1 LEU 27 8.696 2.951 -13.851 210 HD21 LEU 27 1HD2 LEU 27 7.221 6.423 -14.291 211 HD22 LEU 27 2HD2 LEU 27 6.240 6.286 -12.812 212 HD23 LEU 27 3HD2 LEU 27 8.016 6.346 -12.699 213 H ASP 28 HN ASP 28 6.889 1.954 -17.267 214 HA ASP 28 HA ASP 28 9.176 0.688 -16.389 215 HB2 ASP 28 2HB ASP 28 6.977 -0.014 -17.873 216 HB3 ASP 28 3HB ASP 28 8.182 0.055 -19.143 217 HD2 ASP 28 2HD ASP 28 7.052 -2.669 -17.886 218 H LYS 29 HN LYS 29 8.399 2.531 -19.425 219 HA LYS 29 HA LYS 29 10.848 2.150 -20.688 220 HB2 LYS 29 2HB LYS 29 8.965 4.512 -20.953 221 HB3 LYS 29 3HB LYS 29 10.168 3.995 -22.117 222 HG2 LYS 29 2HG LYS 29 8.465 1.737 -21.416 223 HG3 LYS 29 3HG LYS 29 7.465 3.097 -21.889 224 HD2 LYS 29 2HD LYS 29 9.430 3.204 -23.826 225 HD3 LYS 29 3HD LYS 29 9.361 1.479 -23.525 226 HE2 LYS 29 2HE LYS 29 6.696 2.799 -23.756 227 HE3 LYS 29 3HE LYS 29 7.656 2.838 -25.221 228 HZ1 LYS 29 1HZ LYS 29 7.928 0.267 -24.278 229 HZ2 LYS 29 2HZ LYS 29 6.355 0.601 -24.024 230 H TRP 30 HN TRP 30 9.802 4.351 -18.099 231 HA TRP 30 HA TRP 30 11.957 6.149 -18.311 232 HB2 TRP 30 2HB TRP 30 9.910 6.705 -17.147 233 HB3 TRP 30 3HB TRP 30 10.170 5.419 -15.986 234 HD1 TRP 30 1HD TRP 30 11.370 8.969 -16.804 235 HE1 TRP 30 1HE TRP 30 12.794 9.988 -14.830 236 HE3 TRP 30 3HE TRP 30 11.699 4.663 -14.118 237 HZ2 TRP 30 2HZ TRP 30 13.873 8.904 -12.421 238 HZ3 TRP 30 3HZ TRP 30 12.955 4.730 -11.967 239 HH2 TRP 30 2HH TRP 30 14.021 6.756 -11.109 240 H ALA 31 HN ALA 31 11.325 3.512 -15.874 241 HA ALA 31 HA ALA 31 13.862 3.496 -14.799 242 HB1 ALA 31 1HB ALA 31 13.165 1.548 -13.705 243 HB2 ALA 31 2HB ALA 31 11.617 2.327 -14.112 244 HB3 ALA 31 3HB ALA 31 12.224 0.978 -15.104 245 H SER 32 HN SER 32 12.639 2.203 -17.858 246 HA SER 32 HA SER 32 14.463 0.261 -18.364 247 HB2 SER 32 2HB SER 32 12.429 1.319 -19.757 248 HB3 SER 32 3HB SER 32 13.724 2.166 -20.579 249 HG SER 32 HG SER 32 13.597 -0.709 -20.237 250 H LEU 33 HN LEU 33 14.839 3.801 -18.384 251 HA LEU 33 HA LEU 33 17.106 4.067 -19.915 252 HB2 LEU 33 2HB LEU 33 17.437 6.144 -18.798 253 HB3 LEU 33 3HB LEU 33 15.722 5.896 -19.054 254 HG LEU 33 HG LEU 33 15.910 4.920 -16.551 255 HD11 LEU 33 1HD1 LEU 33 18.388 5.413 -16.547 256 HD12 LEU 33 2HD1 LEU 33 17.962 7.141 -16.535 257 HD13 LEU 33 3HD1 LEU 33 17.457 6.091 -15.190 258 HD21 LEU 33 1HD2 LEU 33 14.651 6.703 -15.964 259 HD22 LEU 33 2HD2 LEU 33 15.786 7.882 -16.661 260 HD23 LEU 33 3HD2 LEU 33 14.663 6.995 -17.720 261 H TRP 34 HN TRP 34 16.751 3.107 -16.460 262 HA TRP 34 HA TRP 34 19.452 3.120 -15.818 263 HB2 TRP 34 2HB TRP 34 17.119 1.524 -14.769 264 HB3 TRP 34 3HB TRP 34 18.730 1.396 -14.093 265 HD1 TRP 34 1HD TRP 34 16.074 4.201 -14.687 266 HE1 TRP 34 1HE TRP 34 16.224 6.032 -12.792 267 HE3 TRP 34 3HE TRP 34 20.109 2.190 -12.335 268 HZ2 TRP 34 2HZ TRP 34 17.974 6.426 -10.573 269 HZ3 TRP 34 3HZ TRP 34 20.976 3.360 -10.311 270 HH2 TRP 34 2HH TRP 34 19.975 5.407 -9.426 271 H ASN 35 HN ASN 35 17.315 0.634 -17.335 272 HA ASN 35 HA ASN 35 19.733 -0.912 -17.846 273 HB2 ASN 35 2HB ASN 35 17.857 -2.741 -18.376 274 HB3 ASN 35 3HB ASN 35 18.328 -2.423 -16.718 275 HD21 ASN 35 1HD2 ASN 35 17.116 -0.641 -15.608 276 HD22 ASN 35 2HD2 ASN 35 15.401 -0.554 -15.844 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 -27.208 -5.366 -9.186 2 HA2 GLY 1 1HA GLY 1 -25.462 -5.960 -7.848 3 HA3 GLY 1 2HA GLY 1 -24.350 -5.771 -9.188 4 H ILE 2 HN ILE 2 -26.728 -3.318 -8.037 5 HA ILE 2 HA ILE 2 -24.760 -1.303 -8.009 6 HB ILE 2 HB ILE 2 -27.430 -1.342 -8.209 7 HG12 ILE 2 2HG1 ILE 2 -25.628 0.914 -7.301 8 HG13 ILE 2 3HG1 ILE 2 -26.086 0.495 -8.941 9 HG21 ILE 2 1HG2 ILE 2 -27.552 -1.934 -5.727 10 HG22 ILE 2 2HG2 ILE 2 -27.045 -0.255 -5.419 11 HG23 ILE 2 3HG2 ILE 2 -28.560 -0.581 -6.296 12 HD11 ILE 2 1HD1 ILE 2 -27.358 2.462 -7.948 13 HD12 ILE 2 2HD1 ILE 2 -28.391 1.151 -8.565 14 HD13 ILE 2 3HD1 ILE 2 -28.112 1.315 -6.814 15 H GLY 3 HN GLY 3 -24.109 0.004 -6.094 16 HA2 GLY 3 1HA GLY 3 -24.077 0.043 -3.646 17 HA3 GLY 3 2HA GLY 3 -23.892 -1.700 -3.682 18 H ALA 4 HN ALA 4 -22.341 1.244 -5.162 19 HA ALA 4 HA ALA 4 -19.815 -0.099 -5.315 20 HB1 ALA 4 1HB ALA 4 -20.212 1.434 -7.051 21 HB2 ALA 4 2HB ALA 4 -20.880 2.660 -5.948 22 HB3 ALA 4 3HB ALA 4 -19.130 2.334 -5.961 23 H PHE 5 HN PHE 5 -21.625 1.462 -2.852 24 HA PHE 5 HA PHE 5 -19.804 2.930 -1.461 25 HB2 PHE 5 2HB PHE 5 -21.805 0.857 -0.380 26 HB3 PHE 5 3HB PHE 5 -21.234 2.262 0.498 27 HD1 PHE 5 1HD PHE 5 -23.721 0.997 -1.713 28 HD2 PHE 5 2HD PHE 5 -21.801 4.571 -0.473 29 HE1 PHE 5 1HE PHE 5 -25.641 2.341 -2.613 30 HE2 PHE 5 2HE PHE 5 -23.721 5.915 -1.373 31 HZ PHE 5 HZ PHE 5 -25.617 4.784 -2.432 32 H GLY 6 HN GLY 6 -20.164 -0.648 -1.599 33 HA2 GLY 6 1HA GLY 6 -18.274 -1.159 0.483 34 HA3 GLY 6 2HA GLY 6 -18.949 -2.306 -0.657 35 H LEU 7 HN LEU 7 -18.136 -0.608 -3.040 36 HA LEU 7 HA LEU 7 -15.568 -1.766 -3.372 37 HB2 LEU 7 2HB LEU 7 -17.491 -1.251 -5.067 38 HB3 LEU 7 3HB LEU 7 -16.725 0.320 -5.183 39 HG LEU 7 HG LEU 7 -16.027 -1.249 -6.959 40 HD11 LEU 7 1HD1 LEU 7 -14.568 0.628 -5.989 41 HD12 LEU 7 2HD1 LEU 7 -13.633 -0.675 -5.218 42 HD13 LEU 7 3HD1 LEU 7 -13.777 -0.612 -6.991 43 HD21 LEU 7 1HD2 LEU 7 -14.532 -2.813 -4.854 44 HD22 LEU 7 2HD2 LEU 7 -16.149 -3.284 -5.431 45 HD23 LEU 7 3HD2 LEU 7 -14.784 -3.209 -6.570 46 H LEU 8 HN LEU 8 -16.810 1.326 -2.226 47 HA LEU 8 HA LEU 8 -14.414 2.775 -2.706 48 HB2 LEU 8 2HB LEU 8 -17.064 3.275 -1.785 49 HB3 LEU 8 3HB LEU 8 -15.949 3.906 -0.591 50 HG LEU 8 HG LEU 8 -16.669 5.554 -2.318 51 HD11 LEU 8 1HD1 LEU 8 -14.815 6.611 -1.727 52 HD12 LEU 8 2HD1 LEU 8 -14.057 5.061 -1.292 53 HD13 LEU 8 3HD1 LEU 8 -13.894 5.696 -2.946 54 HD21 LEU 8 1HD2 LEU 8 -14.821 4.531 -4.364 55 HD22 LEU 8 2HD2 LEU 8 -16.280 3.541 -4.126 56 HD23 LEU 8 3HD2 LEU 8 -16.432 5.268 -4.527 57 H GLY 9 HN GLY 9 -15.589 0.553 -0.230 58 HA2 GLY 9 1HA GLY 9 -13.664 1.374 1.756 59 HA3 GLY 9 2HA GLY 9 -14.759 0.008 1.820 60 H PHE 10 HN PHE 10 -14.057 -1.272 -0.678 61 HA PHE 10 HA PHE 10 -11.755 -2.667 0.201 62 HB2 PHE 10 2HB PHE 10 -13.290 -3.989 -1.027 63 HB3 PHE 10 3HB PHE 10 -13.761 -2.650 -2.054 64 HD1 PHE 10 1HD PHE 10 -12.567 -2.172 -4.101 65 HD2 PHE 10 2HD PHE 10 -11.317 -5.336 -1.567 66 HE1 PHE 10 1HE PHE 10 -11.119 -3.074 -5.943 67 HE2 PHE 10 2HE PHE 10 -9.870 -6.239 -3.408 68 HZ PHE 10 HZ PHE 10 -9.788 -5.097 -5.573 69 H LEU 11 HN LEU 11 -12.415 -0.092 -2.190 70 HA LEU 11 HA LEU 11 -9.905 -0.351 -3.493 71 HB2 LEU 11 2HB LEU 11 -12.047 0.608 -4.424 72 HB3 LEU 11 3HB LEU 11 -11.752 2.034 -3.450 73 HG LEU 11 HG LEU 11 -9.667 1.050 -5.390 74 HD11 LEU 11 1HD1 LEU 11 -10.598 2.423 -7.147 75 HD12 LEU 11 2HD1 LEU 11 -11.805 1.225 -6.622 76 HD13 LEU 11 3HD1 LEU 11 -11.946 2.920 -6.095 77 HD21 LEU 11 1HD2 LEU 11 -8.900 2.717 -3.851 78 HD22 LEU 11 2HD2 LEU 11 -9.103 3.483 -5.445 79 HD23 LEU 11 3HD2 LEU 11 -10.317 3.744 -4.170 80 H ALA 12 HN ALA 12 -11.239 1.691 -0.837 81 HA ALA 12 HA ALA 12 -8.943 3.290 -0.573 82 HB1 ALA 12 1HB ALA 12 -9.973 3.960 1.541 83 HB2 ALA 12 2HB ALA 12 -11.222 3.840 0.278 84 HB3 ALA 12 3HB ALA 12 -11.055 2.547 1.491 85 H ALA 13 HN ALA 13 -9.789 0.017 0.458 86 HA ALA 13 HA ALA 13 -7.949 -0.196 2.568 87 HB1 ALA 13 1HB ALA 13 -9.551 -1.867 2.577 88 HB2 ALA 13 2HB ALA 13 -9.522 -2.055 0.807 89 HB3 ALA 13 3HB ALA 13 -8.206 -2.732 1.796 90 H GLY 14 HN GLY 14 -7.749 -0.820 -0.982 91 HA2 GLY 14 1HA GLY 14 -5.161 -1.921 -0.976 92 HA3 GLY 14 2HA GLY 14 -5.989 -1.183 -2.333 93 H SER 15 HN SER 15 -6.387 1.416 -0.781 94 HA SER 15 HA SER 15 -4.091 2.669 -1.714 95 HB2 SER 15 2HB SER 15 -6.434 3.660 -1.325 96 HB3 SER 15 3HB SER 15 -6.013 3.778 0.373 97 HG SER 15 HG SER 15 -4.853 5.158 -1.870 98 H LYS 16 HN LYS 16 -4.884 1.062 1.307 99 HA LYS 16 HA LYS 16 -3.325 2.363 3.131 100 HB2 LYS 16 2HB LYS 16 -3.754 -0.628 2.863 101 HB3 LYS 16 3HB LYS 16 -3.217 0.204 4.309 102 HG2 LYS 16 2HG LYS 16 -5.687 1.358 3.134 103 HG3 LYS 16 3HG LYS 16 -5.871 -0.310 3.639 104 HD2 LYS 16 2HD LYS 16 -4.804 0.374 5.883 105 HD3 LYS 16 3HD LYS 16 -4.951 2.038 5.355 106 HE2 LYS 16 2HE LYS 16 -7.306 0.099 5.502 107 HE3 LYS 16 3HE LYS 16 -6.885 1.213 6.787 108 HZ1 LYS 16 1HZ LYS 16 -7.788 2.918 5.639 109 HZ2 LYS 16 2HZ LYS 16 -7.074 2.515 4.232 110 H LYS 17 HN LYS 17 -2.300 -0.356 0.948 111 HA LYS 17 HA LYS 17 0.421 -0.062 1.703 112 HB2 LYS 17 2HB LYS 17 -0.987 -1.604 -0.489 113 HB3 LYS 17 3HB LYS 17 0.752 -1.633 -0.276 114 HG2 LYS 17 2HG LYS 17 -0.686 -2.068 2.265 115 HG3 LYS 17 3HG LYS 17 -1.107 -3.263 1.056 116 HD2 LYS 17 2HD LYS 17 1.577 -3.268 0.685 117 HD3 LYS 17 3HD LYS 17 1.555 -2.725 2.351 118 HE2 LYS 17 2HE LYS 17 0.104 -4.701 2.950 119 HE3 LYS 17 3HE LYS 17 0.210 -5.257 1.291 120 HZ1 LYS 17 1HZ LYS 17 2.020 -6.346 2.101 121 HZ2 LYS 17 2HZ LYS 17 2.803 -4.935 1.885 122 H21 ACA 18 1HA ACA 18 1.551 3.549 -6.683 123 H22 ACA 18 2HA ACA 18 2.629 2.284 -6.127 124 H31 ACA 18 2HB ACA 18 -0.348 1.817 -5.907 125 H32 ACA 18 3HB ACA 18 0.401 2.918 -4.768 126 H41 ACA 18 2HG ACA 18 1.976 0.450 -5.091 127 H42 ACA 18 3HG ACA 18 0.335 0.108 -4.581 128 H51 ACA 18 2HD ACA 18 2.196 2.109 -3.212 129 H52 ACA 18 3HD ACA 18 1.907 0.474 -2.652 130 H61 ACA 18 2HE ACA 18 0.547 2.717 -1.968 131 H62 ACA 18 3HE ACA 18 -0.971 2.071 -3.357 132 HN61 ACA 18 HN ACA 18 -0.698 0.056 -1.711 133 H LYS 19 HN LYS 19 -0.274 2.757 -8.393 134 HA LYS 19 HA LYS 19 -0.652 0.094 -7.522 135 HB2 LYS 19 2HB LYS 19 -2.209 2.222 -8.795 136 HB3 LYS 19 3HB LYS 19 -2.616 0.635 -9.416 137 HG2 LYS 19 2HG LYS 19 -3.485 -0.089 -7.404 138 HG3 LYS 19 3HG LYS 19 -2.286 0.767 -6.453 139 HD2 LYS 19 2HD LYS 19 -3.985 2.683 -7.852 140 HD3 LYS 19 3HD LYS 19 -4.982 1.551 -6.959 141 HE2 LYS 19 2HE LYS 19 -3.331 1.992 -4.963 142 HE3 LYS 19 3HE LYS 19 -2.812 3.390 -5.885 143 HZ1 LYS 19 1HZ LYS 19 -5.276 3.003 -4.455 144 HZ2 LYS 19 2HZ LYS 19 -4.574 4.396 -4.925 145 H ASN 20 HN ASN 20 -0.369 1.547 -10.846 146 HA ASN 20 HA ASN 20 1.063 -0.830 -11.615 147 HB2 ASN 20 2HB ASN 20 -1.714 -0.248 -12.401 148 HB3 ASN 20 3HB ASN 20 -0.675 -0.330 -13.810 149 HD21 ASN 20 1HD2 ASN 20 1.100 -2.167 -13.461 150 HD22 ASN 20 2HD2 ASN 20 0.447 -3.730 -13.101 151 H GLU 21 HN GLU 21 2.211 -0.461 -13.749 152 HA GLU 21 HA GLU 21 3.112 2.190 -13.919 153 HB2 GLU 21 2HB GLU 21 3.572 -0.263 -15.665 154 HB3 GLU 21 3HB GLU 21 4.368 1.270 -15.960 155 HG2 GLU 21 2HG GLU 21 5.755 1.067 -14.126 156 HG3 GLU 21 3HG GLU 21 4.519 0.312 -13.137 157 HE2 GLU 21 2HE GLU 21 6.245 -0.379 -16.027 158 H GLN 22 HN GLN 22 1.012 0.103 -16.001 159 HA GLN 22 HA GLN 22 0.719 1.873 -18.071 160 HB2 GLN 22 2HB GLN 22 -0.122 -0.627 -17.654 161 HB3 GLN 22 3HB GLN 22 -1.613 0.170 -17.194 162 HG2 GLN 22 2HG GLN 22 -1.406 1.484 -19.433 163 HG3 GLN 22 3HG GLN 22 -0.174 0.318 -19.874 164 HE21 GLN 22 1HE2 GLN 22 -1.534 -0.311 -21.599 165 HE22 GLN 22 2HE2 GLN 22 -2.862 -1.398 -21.364 166 H GLU 23 HN GLU 23 -1.427 1.402 -15.170 167 HA GLU 23 HA GLU 23 -3.224 3.358 -15.775 168 HB2 GLU 23 2HB GLU 23 -2.238 2.172 -13.172 169 HB3 GLU 23 3HB GLU 23 -3.400 3.485 -13.138 170 HG2 GLU 23 2HG GLU 23 -4.853 2.123 -14.746 171 HG3 GLU 23 3HG GLU 23 -3.738 0.789 -14.528 172 HE2 GLU 23 2HE GLU 23 -6.466 1.937 -12.000 173 H LEU 24 HN LEU 24 0.071 3.608 -14.465 174 HA LEU 24 HA LEU 24 -0.185 6.267 -13.534 175 HB2 LEU 24 2HB LEU 24 1.566 4.338 -13.077 176 HB3 LEU 24 3HB LEU 24 2.426 5.103 -14.399 177 HG LEU 24 HG LEU 24 1.483 6.971 -12.315 178 HD11 LEU 24 1HD1 LEU 24 2.055 5.611 -10.607 179 HD12 LEU 24 2HD1 LEU 24 3.111 4.595 -11.618 180 HD13 LEU 24 3HD1 LEU 24 3.698 6.162 -11.014 181 HD21 LEU 24 1HD2 LEU 24 3.124 8.221 -13.144 182 HD22 LEU 24 2HD2 LEU 24 4.327 6.930 -12.908 183 HD23 LEU 24 3HD2 LEU 24 3.340 6.968 -14.389 184 H LEU 25 HN LEU 25 0.512 4.734 -16.671 185 HA LEU 25 HA LEU 25 1.596 6.989 -17.923 186 HB2 LEU 25 2HB LEU 25 1.980 5.369 -19.363 187 HB3 LEU 25 3HB LEU 25 0.808 4.319 -18.592 188 HG LEU 25 HG LEU 25 -0.976 5.589 -19.943 189 HD11 LEU 25 1HD1 LEU 25 1.127 7.230 -20.611 190 HD12 LEU 25 2HD1 LEU 25 0.969 6.195 -22.050 191 HD13 LEU 25 3HD1 LEU 25 -0.430 7.129 -21.467 192 HD21 LEU 25 1HD2 LEU 25 0.170 4.270 -22.106 193 HD22 LEU 25 2HD2 LEU 25 0.834 3.435 -20.682 194 HD23 LEU 25 3HD2 LEU 25 -0.928 3.577 -20.890 195 H GLU 26 HN GLU 26 -1.759 5.901 -17.308 196 HA GLU 26 HA GLU 26 -3.037 7.586 -19.045 197 HB2 GLU 26 2HB GLU 26 -3.781 6.313 -16.409 198 HB3 GLU 26 3HB GLU 26 -4.884 7.470 -17.127 199 HG2 GLU 26 2HG GLU 26 -3.822 4.937 -18.464 200 HG3 GLU 26 3HG GLU 26 -5.447 5.175 -17.854 201 HE2 GLU 26 2HE GLU 26 -6.472 7.125 -20.498 202 H LEU 27 HN LEU 27 -1.710 8.188 -15.761 203 HA LEU 27 HA LEU 27 -2.878 10.736 -15.464 204 HB2 LEU 27 2HB LEU 27 -1.643 8.993 -13.828 205 HB3 LEU 27 3HB LEU 27 -0.316 10.102 -14.116 206 HG LEU 27 HG LEU 27 -1.356 10.849 -12.145 207 HD11 LEU 27 1HD1 LEU 27 -2.164 13.073 -12.677 208 HD12 LEU 27 2HD1 LEU 27 -0.804 12.641 -13.742 209 HD13 LEU 27 3HD1 LEU 27 -2.471 12.587 -14.362 210 HD21 LEU 27 1HD2 LEU 27 -3.430 10.250 -11.642 211 HD22 LEU 27 2HD2 LEU 27 -4.040 11.459 -12.798 212 HD23 LEU 27 3HD2 LEU 27 -3.742 9.787 -13.332 213 H ASP 28 HN ASP 28 -0.039 9.485 -17.167 214 HA ASP 28 HA ASP 28 1.378 11.853 -17.312 215 HB2 ASP 28 2HB ASP 28 2.091 9.465 -17.980 216 HB3 ASP 28 3HB ASP 28 1.224 9.715 -19.482 217 HD2 ASP 28 2HD ASP 28 3.460 12.521 -18.510 218 H LYS 29 HN LYS 29 -0.989 10.273 -19.587 219 HA LYS 29 HA LYS 29 -0.948 12.266 -21.527 220 HB2 LYS 29 2HB LYS 29 -3.156 10.325 -20.783 221 HB3 LYS 29 3HB LYS 29 -3.083 11.254 -22.266 222 HG2 LYS 29 2HG LYS 29 -0.534 9.996 -22.017 223 HG3 LYS 29 3HG LYS 29 -1.711 8.770 -21.590 224 HD2 LYS 29 2HD LYS 29 -2.211 10.472 -24.040 225 HD3 LYS 29 3HD LYS 29 -1.029 9.183 -24.139 226 HE2 LYS 29 2HE LYS 29 -3.337 8.100 -22.810 227 HE3 LYS 29 3HE LYS 29 -3.921 8.989 -24.203 228 HZ1 LYS 29 1HZ LYS 29 -3.242 7.265 -25.448 229 HZ2 LYS 29 2HZ LYS 29 -1.689 7.563 -25.059 230 H TRP 30 HN TRP 30 -2.593 12.019 -18.386 231 HA TRP 30 HA TRP 30 -4.488 14.048 -18.857 232 HB2 TRP 30 2HB TRP 30 -4.748 12.414 -17.091 233 HB3 TRP 30 3HB TRP 30 -3.286 12.970 -16.302 234 HD1 TRP 30 1HD TRP 30 -6.968 13.942 -16.758 235 HE1 TRP 30 1HE TRP 30 -7.673 15.873 -15.103 236 HE3 TRP 30 3HE TRP 30 -2.268 14.950 -15.099 237 HZ2 TRP 30 2HZ TRP 30 -6.219 17.567 -13.325 238 HZ3 TRP 30 3HZ TRP 30 -1.998 16.757 -13.403 239 HH2 TRP 30 2HH TRP 30 -3.877 18.046 -12.519 240 H ALA 31 HN ALA 31 -1.436 14.087 -16.862 241 HA ALA 31 HA ALA 31 -1.325 16.822 -16.551 242 HB1 ALA 31 1HB ALA 31 1.311 16.063 -16.546 243 HB2 ALA 31 2HB ALA 31 0.196 15.844 -15.175 244 HB3 ALA 31 3HB ALA 31 0.496 14.499 -16.302 245 H SER 32 HN SER 32 -0.554 14.779 -19.335 246 HA SER 32 HA SER 32 1.195 16.364 -20.671 247 HB2 SER 32 2HB SER 32 0.797 14.955 -22.438 248 HB3 SER 32 3HB SER 32 -0.074 14.040 -21.224 249 HG SER 32 HG SER 32 -1.371 14.349 -23.125 250 H LEU 33 HN LEU 33 -2.303 16.766 -20.148 251 HA LEU 33 HA LEU 33 -2.925 18.519 -22.171 252 HB2 LEU 33 2HB LEU 33 -4.780 19.176 -20.832 253 HB3 LEU 33 3HB LEU 33 -4.516 17.454 -20.643 254 HG LEU 33 HG LEU 33 -3.117 18.319 -18.512 255 HD11 LEU 33 1HD1 LEU 33 -3.696 20.706 -19.103 256 HD12 LEU 33 2HD1 LEU 33 -5.376 20.323 -18.658 257 HD13 LEU 33 3HD1 LEU 33 -4.083 20.200 -17.441 258 HD21 LEU 33 1HD2 LEU 33 -4.629 17.094 -17.440 259 HD22 LEU 33 2HD2 LEU 33 -5.930 18.253 -17.801 260 HD23 LEU 33 3HD2 LEU 33 -5.519 16.983 -18.977 261 H TRP 34 HN TRP 34 -1.243 19.085 -19.051 262 HA TRP 34 HA TRP 34 -1.288 21.859 -19.102 263 HB2 TRP 34 2HB TRP 34 0.593 19.840 -17.902 264 HB3 TRP 34 3HB TRP 34 0.882 21.563 -17.747 265 HD1 TRP 34 1HD TRP 34 -1.976 19.040 -16.882 266 HE1 TRP 34 1HE TRP 34 -3.257 19.807 -14.706 267 HE3 TRP 34 3HE TRP 34 0.571 23.400 -16.286 268 HZ2 TRP 34 2HZ TRP 34 -3.066 22.100 -13.017 269 HZ3 TRP 34 3HZ TRP 34 -0.038 24.845 -14.348 270 HH2 TRP 34 2HH TRP 34 -1.787 24.257 -12.746 271 H ASN 35 HN ASN 35 0.937 19.430 -20.586 272 HA ASN 35 HA ASN 35 2.147 21.651 -22.034 273 HB2 ASN 35 2HB ASN 35 3.434 18.927 -22.024 274 HB3 ASN 35 3HB ASN 35 4.194 20.505 -22.010 275 HD21 ASN 35 1HD2 ASN 35 2.746 17.970 -20.139 276 HD22 ASN 35 2HD2 ASN 35 3.209 18.514 -18.561 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -28.560 1.727 -7.161 2 HA2 GLY 1 1HA GLY 1 -29.330 0.399 -5.512 3 HA3 GLY 1 2HA GLY 1 -29.897 -0.733 -6.723 4 H ILE 2 HN ILE 2 -26.758 -0.378 -7.625 5 HA ILE 2 HA ILE 2 -26.008 -2.840 -6.368 6 HB ILE 2 HB ILE 2 -24.766 -1.007 -8.398 7 HG12 ILE 2 2HG1 ILE 2 -25.106 -3.851 -9.011 8 HG13 ILE 2 3HG1 ILE 2 -26.615 -3.071 -8.583 9 HG21 ILE 2 1HG2 ILE 2 -22.984 -1.890 -6.889 10 HG22 ILE 2 2HG2 ILE 2 -23.488 -3.538 -7.334 11 HG23 ILE 2 3HG2 ILE 2 -22.851 -2.436 -8.578 12 HD11 ILE 2 1HD1 ILE 2 -26.398 -1.430 -10.317 13 HD12 ILE 2 2HD1 ILE 2 -24.680 -1.819 -10.569 14 HD13 ILE 2 3HD1 ILE 2 -25.936 -2.977 -11.067 15 H GLY 3 HN GLY 3 -24.263 -3.181 -4.910 16 HA2 GLY 3 1HA GLY 3 -23.926 -1.065 -3.009 17 HA3 GLY 3 2HA GLY 3 -23.228 -2.673 -2.961 18 H ALA 4 HN ALA 4 -22.952 0.507 -4.680 19 HA ALA 4 HA ALA 4 -20.294 -0.103 -5.568 20 HB1 ALA 4 1HB ALA 4 -20.968 1.434 -7.065 21 HB2 ALA 4 2HB ALA 4 -22.374 1.864 -6.062 22 HB3 ALA 4 3HB ALA 4 -20.809 2.668 -5.791 23 H PHE 5 HN PHE 5 -21.855 1.347 -2.754 24 HA PHE 5 HA PHE 5 -19.719 2.921 -1.879 25 HB2 PHE 5 2HB PHE 5 -21.033 2.952 0.176 26 HB3 PHE 5 3HB PHE 5 -22.201 2.803 -1.122 27 HD1 PHE 5 1HD PHE 5 -23.270 0.604 -1.574 28 HD2 PHE 5 2HD PHE 5 -20.748 1.211 1.785 29 HE1 PHE 5 1HE PHE 5 -24.195 -1.470 -0.504 30 HE2 PHE 5 2HE PHE 5 -21.673 -0.862 2.854 31 HZ PHE 5 HZ PHE 5 -23.385 -2.179 1.697 32 H GLY 6 HN GLY 6 -20.395 -0.568 -1.684 33 HA2 GLY 6 1HA GLY 6 -18.597 -1.169 0.422 34 HA3 GLY 6 2HA GLY 6 -19.260 -2.280 -0.760 35 H LEU 7 HN LEU 7 -18.280 -0.816 -3.143 36 HA LEU 7 HA LEU 7 -15.751 -2.024 -3.323 37 HB2 LEU 7 2HB LEU 7 -17.307 -1.710 -5.194 38 HB3 LEU 7 3HB LEU 7 -17.077 0.025 -5.102 39 HG LEU 7 HG LEU 7 -14.488 -0.860 -5.366 40 HD11 LEU 7 1HD1 LEU 7 -15.149 -3.167 -5.715 41 HD12 LEU 7 2HD1 LEU 7 -16.243 -2.683 -7.034 42 HD13 LEU 7 3HD1 LEU 7 -14.483 -2.486 -7.219 43 HD21 LEU 7 1HD2 LEU 7 -15.787 0.987 -6.551 44 HD22 LEU 7 2HD2 LEU 7 -14.530 0.145 -7.490 45 HD23 LEU 7 3HD2 LEU 7 -16.247 -0.253 -7.743 46 H LEU 8 HN LEU 8 -16.818 1.414 -2.948 47 HA LEU 8 HA LEU 8 -14.290 2.539 -3.031 48 HB2 LEU 8 2HB LEU 8 -16.902 3.390 -2.704 49 HB3 LEU 8 3HB LEU 8 -16.143 3.837 -1.190 50 HG LEU 8 HG LEU 8 -16.141 5.621 -2.937 51 HD11 LEU 8 1HD1 LEU 8 -13.412 4.697 -1.995 52 HD12 LEU 8 2HD1 LEU 8 -13.831 6.336 -2.550 53 HD13 LEU 8 3HD1 LEU 8 -14.571 5.681 -1.069 54 HD21 LEU 8 1HD2 LEU 8 -13.875 4.777 -4.456 55 HD22 LEU 8 2HD2 LEU 8 -15.135 3.526 -4.574 56 HD23 LEU 8 3HD2 LEU 8 -15.507 5.208 -5.020 57 H GLY 9 HN GLY 9 -15.914 0.639 -0.545 58 HA2 GLY 9 1HA GLY 9 -14.328 1.501 1.655 59 HA3 GLY 9 2HA GLY 9 -15.322 0.061 1.554 60 H PHE 10 HN PHE 10 -13.920 -0.845 -0.998 61 HA PHE 10 HA PHE 10 -11.753 -2.175 0.363 62 HB2 PHE 10 2HB PHE 10 -12.548 -3.760 -1.124 63 HB3 PHE 10 3HB PHE 10 -13.592 -2.563 -1.864 64 HD1 PHE 10 1HD PHE 10 -13.272 -2.053 -4.093 65 HD2 PHE 10 2HD PHE 10 -10.010 -3.617 -1.875 66 HE1 PHE 10 1HE PHE 10 -11.889 -2.139 -6.186 67 HE2 PHE 10 2HE PHE 10 -8.628 -3.704 -3.967 68 HZ PHE 10 HZ PHE 10 -9.584 -2.964 -6.098 69 H LEU 11 HN LEU 11 -12.268 0.276 -2.201 70 HA LEU 11 HA LEU 11 -9.741 0.275 -3.307 71 HB2 LEU 11 2HB LEU 11 -11.648 1.433 -4.252 72 HB3 LEU 11 3HB LEU 11 -11.700 2.536 -2.891 73 HG LEU 11 HG LEU 11 -9.129 2.898 -3.791 74 HD11 LEU 11 1HD1 LEU 11 -10.830 2.643 -6.280 75 HD12 LEU 11 2HD1 LEU 11 -9.101 3.051 -6.170 76 HD13 LEU 11 3HD1 LEU 11 -9.660 1.414 -5.745 77 HD21 LEU 11 1HD2 LEU 11 -10.492 4.724 -3.159 78 HD22 LEU 11 2HD2 LEU 11 -10.073 4.987 -4.869 79 HD23 LEU 11 3HD2 LEU 11 -11.687 4.376 -4.432 80 H ALA 12 HN ALA 12 -10.961 1.682 -0.254 81 HA ALA 12 HA ALA 12 -8.738 3.298 0.277 82 HB1 ALA 12 1HB ALA 12 -9.651 2.759 2.734 83 HB2 ALA 12 2HB ALA 12 -10.548 3.807 1.610 84 HB3 ALA 12 3HB ALA 12 -11.022 2.103 1.809 85 H ALA 13 HN ALA 13 -9.528 -0.137 1.092 86 HA ALA 13 HA ALA 13 -7.239 -0.586 2.637 87 HB1 ALA 13 1HB ALA 13 -8.734 -2.275 2.970 88 HB2 ALA 13 2HB ALA 13 -9.384 -2.165 1.316 89 HB3 ALA 13 3HB ALA 13 -7.864 -3.041 1.619 90 H GLY 14 HN GLY 14 -7.769 -0.268 -0.823 91 HA2 GLY 14 1HA GLY 14 -5.511 -1.767 -1.691 92 HA3 GLY 14 2HA GLY 14 -6.430 -0.590 -2.610 93 H SER 15 HN SER 15 -6.040 1.541 -0.470 94 HA SER 15 HA SER 15 -4.025 2.908 -1.562 95 HB2 SER 15 2HB SER 15 -5.046 2.890 1.301 96 HB3 SER 15 3HB SER 15 -3.846 4.050 0.766 97 HG SER 15 HG SER 15 -6.072 3.834 -0.940 98 H LYS 16 HN LYS 16 -3.824 0.440 1.048 99 HA LYS 16 HA LYS 16 -1.059 0.895 1.542 100 HB2 LYS 16 2HB LYS 16 -2.932 -1.364 2.304 101 HB3 LYS 16 3HB LYS 16 -1.272 -1.236 2.851 102 HG2 LYS 16 2HG LYS 16 -2.534 -0.230 4.598 103 HG3 LYS 16 3HG LYS 16 -1.884 1.131 3.705 104 HD2 LYS 16 2HD LYS 16 -3.969 1.618 2.667 105 HD3 LYS 16 3HD LYS 16 -4.604 0.012 2.966 106 HE2 LYS 16 2HE LYS 16 -3.875 1.358 5.478 107 HE3 LYS 16 3HE LYS 16 -5.023 2.308 4.555 108 HZ1 LYS 16 1HZ LYS 16 -6.559 0.521 4.561 109 HZ2 LYS 16 2HZ LYS 16 -5.458 -0.584 5.029 110 H LYS 17 HN LYS 17 -3.001 -1.393 -0.450 111 HA LYS 17 HA LYS 17 -0.556 -2.635 -1.394 112 HB2 LYS 17 2HB LYS 17 -3.498 -3.208 -1.795 113 HB3 LYS 17 3HB LYS 17 -2.252 -4.027 -2.715 114 HG2 LYS 17 2HG LYS 17 -1.169 -4.759 -0.566 115 HG3 LYS 17 3HG LYS 17 -2.451 -3.973 0.334 116 HD2 LYS 17 2HD LYS 17 -4.047 -5.568 -0.251 117 HD3 LYS 17 3HD LYS 17 -3.299 -5.913 -1.798 118 HE2 LYS 17 2HE LYS 17 -1.544 -6.625 0.467 119 HE3 LYS 17 3HE LYS 17 -3.078 -7.469 0.532 120 HZ1 LYS 17 1HZ LYS 17 -1.285 -7.416 -1.838 121 HZ2 LYS 17 2HZ LYS 17 -1.454 -8.677 -0.822 122 H21 ACA 18 1HA ACA 18 -5.320 2.539 -6.448 123 H22 ACA 18 2HA ACA 18 -4.061 2.160 -7.606 124 H31 ACA 18 2HB ACA 18 -4.092 -0.115 -7.120 125 H32 ACA 18 3HB ACA 18 -5.807 -0.129 -6.761 126 H41 ACA 18 2HG ACA 18 -5.046 -0.318 -4.593 127 H42 ACA 18 3HG ACA 18 -4.993 1.430 -4.701 128 H51 ACA 18 2HD ACA 18 -2.849 0.830 -3.855 129 H52 ACA 18 3HD ACA 18 -2.565 1.174 -5.549 130 H61 ACA 18 2HE ACA 18 -3.236 -1.390 -5.720 131 H62 ACA 18 3HE ACA 18 -1.129 -0.929 -5.735 132 HN61 ACA 18 HN ACA 18 -3.240 -2.243 -3.625 133 H LYS 19 HN LYS 19 -4.795 2.441 -9.836 134 HA LYS 19 HA LYS 19 -6.968 4.105 -8.938 135 HB2 LYS 19 2HB LYS 19 -4.655 4.337 -10.731 136 HB3 LYS 19 3HB LYS 19 -6.099 5.096 -11.372 137 HG2 LYS 19 2HG LYS 19 -6.283 6.007 -8.828 138 HG3 LYS 19 3HG LYS 19 -4.550 5.756 -8.876 139 HD2 LYS 19 2HD LYS 19 -6.189 7.483 -10.786 140 HD3 LYS 19 3HD LYS 19 -5.056 8.053 -9.577 141 HE2 LYS 19 2HE LYS 19 -4.096 6.131 -11.714 142 HE3 LYS 19 3HE LYS 19 -4.294 7.826 -12.111 143 HZ1 LYS 19 1HZ LYS 19 -2.545 6.711 -9.990 144 HZ2 LYS 19 2HZ LYS 19 -2.072 7.521 -11.322 145 H ASN 20 HN ASN 20 -6.149 2.221 -11.936 146 HA ASN 20 HA ASN 20 -9.002 1.786 -12.219 147 HB2 ASN 20 2HB ASN 20 -7.354 3.432 -13.962 148 HB3 ASN 20 3HB ASN 20 -7.859 2.014 -14.859 149 HD21 ASN 20 1HD2 ASN 20 -8.663 4.666 -15.370 150 HD22 ASN 20 2HD2 ASN 20 -10.376 4.798 -15.144 151 H GLU 21 HN GLU 21 -9.469 -0.319 -13.104 152 HA GLU 21 HA GLU 21 -7.477 -2.219 -12.818 153 HB2 GLU 21 2HB GLU 21 -10.223 -2.283 -14.119 154 HB3 GLU 21 3HB GLU 21 -9.213 -3.713 -14.038 155 HG2 GLU 21 2HG GLU 21 -9.315 -2.374 -11.433 156 HG3 GLU 21 3HG GLU 21 -10.933 -2.719 -12.011 157 HE2 GLU 21 2HE GLU 21 -10.153 -6.240 -12.206 158 H GLN 22 HN GLN 22 -9.005 -0.797 -15.787 159 HA GLN 22 HA GLN 22 -7.630 -2.286 -17.616 160 HB2 GLN 22 2HB GLN 22 -9.446 -0.952 -18.383 161 HB3 GLN 22 3HB GLN 22 -8.790 0.515 -17.686 162 HG2 GLN 22 2HG GLN 22 -7.367 0.892 -19.460 163 HG3 GLN 22 3HG GLN 22 -7.007 -0.809 -19.673 164 HE21 GLN 22 1HE2 GLN 22 -9.774 1.425 -19.887 165 HE22 GLN 22 2HE2 GLN 22 -10.440 0.809 -21.363 166 H GLU 23 HN GLU 23 -6.729 0.868 -16.079 167 HA GLU 23 HA GLU 23 -4.379 1.175 -17.523 168 HB2 GLU 23 2HB GLU 23 -4.360 3.146 -16.418 169 HB3 GLU 23 3HB GLU 23 -5.814 2.622 -15.590 170 HG2 GLU 23 2HG GLU 23 -4.301 1.452 -13.881 171 HG3 GLU 23 3HG GLU 23 -2.936 2.236 -14.650 172 HE2 GLU 23 2HE GLU 23 -2.614 3.520 -12.737 173 H LEU 24 HN LEU 24 -5.218 -0.731 -14.652 174 HA LEU 24 HA LEU 24 -2.519 -1.142 -13.838 175 HB2 LEU 24 2HB LEU 24 -4.730 -1.248 -12.486 176 HB3 LEU 24 3HB LEU 24 -4.846 -2.886 -13.098 177 HG LEU 24 HG LEU 24 -2.246 -2.164 -11.863 178 HD11 LEU 24 1HD1 LEU 24 -4.775 -2.399 -10.210 179 HD12 LEU 24 2HD1 LEU 24 -3.118 -2.476 -9.566 180 HD13 LEU 24 3HD1 LEU 24 -3.701 -0.985 -10.341 181 HD21 LEU 24 1HD2 LEU 24 -2.422 -4.421 -10.952 182 HD22 LEU 24 2HD2 LEU 24 -4.082 -4.559 -11.579 183 HD23 LEU 24 3HD2 LEU 24 -2.714 -4.417 -12.708 184 H LEU 25 HN LEU 25 -4.819 -2.670 -16.074 185 HA LEU 25 HA LEU 25 -3.456 -5.116 -16.311 186 HB2 LEU 25 2HB LEU 25 -5.682 -3.719 -17.567 187 HB3 LEU 25 3HB LEU 25 -4.751 -4.650 -18.723 188 HG LEU 25 HG LEU 25 -5.665 -5.913 -16.148 189 HD11 LEU 25 1HD1 LEU 25 -7.813 -6.118 -16.749 190 HD12 LEU 25 2HD1 LEU 25 -7.488 -4.718 -17.799 191 HD13 LEU 25 3HD1 LEU 25 -7.416 -6.367 -18.465 192 HD21 LEU 25 1HD2 LEU 25 -5.546 -7.330 -18.768 193 HD22 LEU 25 2HD2 LEU 25 -4.010 -6.879 -17.990 194 HD23 LEU 25 3HD2 LEU 25 -5.176 -7.910 -17.126 195 H GLU 26 HN GLU 26 -3.142 -1.922 -17.918 196 HA GLU 26 HA GLU 26 -1.518 -2.690 -19.977 197 HB2 GLU 26 2HB GLU 26 -1.970 -0.149 -18.444 198 HB3 GLU 26 3HB GLU 26 -0.558 -0.207 -19.482 199 HG2 GLU 26 2HG GLU 26 -3.310 -1.032 -20.491 200 HG3 GLU 26 3HG GLU 26 -2.783 0.638 -20.529 201 HE2 GLU 26 2HE GLU 26 -3.298 -0.644 -22.773 202 H LEU 27 HN LEU 27 -0.804 -2.212 -16.521 203 HA LEU 27 HA LEU 27 2.039 -2.289 -16.941 204 HB2 LEU 27 2HB LEU 27 0.359 -1.314 -14.984 205 HB3 LEU 27 3HB LEU 27 1.031 -2.749 -14.234 206 HG LEU 27 HG LEU 27 2.321 -0.755 -13.676 207 HD11 LEU 27 1HD1 LEU 27 4.197 -2.212 -15.476 208 HD12 LEU 27 2HD1 LEU 27 4.351 -1.776 -13.758 209 HD13 LEU 27 3HD1 LEU 27 3.331 -3.154 -14.237 210 HD21 LEU 27 1HD2 LEU 27 1.772 0.284 -16.022 211 HD22 LEU 27 2HD2 LEU 27 3.275 0.709 -15.168 212 HD23 LEU 27 3HD2 LEU 27 3.309 -0.482 -16.491 213 H ASP 28 HN ASP 28 -0.626 -4.532 -16.303 214 HA ASP 28 HA ASP 28 0.903 -6.600 -15.271 215 HB2 ASP 28 2HB ASP 28 -1.707 -6.260 -15.494 216 HB3 ASP 28 3HB ASP 28 -1.516 -7.030 -17.056 217 HD2 ASP 28 2HD ASP 28 -2.689 -9.082 -16.219 218 H LYS 29 HN LYS 29 -0.337 -5.895 -18.626 219 HA LYS 29 HA LYS 29 0.852 -8.077 -19.870 220 HB2 LYS 29 2HB LYS 29 0.224 -7.062 -21.885 221 HB3 LYS 29 3HB LYS 29 -0.969 -6.507 -20.728 222 HG2 LYS 29 2HG LYS 29 -0.438 -4.448 -21.620 223 HG3 LYS 29 3HG LYS 29 0.832 -4.507 -20.415 224 HD2 LYS 29 2HD LYS 29 2.500 -4.845 -21.978 225 HD3 LYS 29 3HD LYS 29 1.490 -5.847 -23.002 226 HE2 LYS 29 2HE LYS 29 0.864 -2.893 -22.763 227 HE3 LYS 29 3HE LYS 29 2.196 -3.399 -23.783 228 HZ1 LYS 29 1HZ LYS 29 0.641 -3.834 -25.330 229 HZ2 LYS 29 2HZ LYS 29 0.115 -5.089 -24.435 230 H TRP 30 HN TRP 30 2.111 -4.855 -18.964 231 HA TRP 30 HA TRP 30 4.445 -4.950 -20.495 232 HB2 TRP 30 2HB TRP 30 3.606 -2.910 -19.504 233 HB3 TRP 30 3HB TRP 30 3.830 -3.551 -17.889 234 HD1 TRP 30 1HD TRP 30 5.832 -2.025 -20.783 235 HE1 TRP 30 1HE TRP 30 8.286 -1.400 -20.039 236 HE3 TRP 30 3HE TRP 30 5.597 -4.299 -16.241 237 HZ2 TRP 30 2HZ TRP 30 9.819 -1.916 -17.687 238 HZ3 TRP 30 3HZ TRP 30 7.616 -4.192 -14.782 239 HH2 TRP 30 2HH TRP 30 9.676 -3.051 -15.441 240 H ALA 31 HN ALA 31 4.017 -5.557 -16.926 241 HA ALA 31 HA ALA 31 6.507 -6.666 -16.518 242 HB1 ALA 31 1HB ALA 31 5.722 -6.783 -14.408 243 HB2 ALA 31 2HB ALA 31 4.198 -6.113 -15.039 244 HB3 ALA 31 3HB ALA 31 4.400 -7.876 -14.884 245 H SER 32 HN SER 32 3.594 -8.008 -18.013 246 HA SER 32 HA SER 32 4.003 -10.665 -17.648 247 HB2 SER 32 2HB SER 32 2.148 -9.288 -18.945 248 HB3 SER 32 3HB SER 32 3.145 -9.607 -20.350 249 HG SER 32 HG SER 32 1.389 -11.274 -19.098 250 H LEU 33 HN LEU 33 5.725 -8.360 -19.745 251 HA LEU 33 HA LEU 33 6.899 -10.080 -21.539 252 HB2 LEU 33 2HB LEU 33 8.523 -8.374 -21.885 253 HB3 LEU 33 3HB LEU 33 6.955 -7.632 -21.636 254 HG LEU 33 HG LEU 33 7.875 -7.510 -19.107 255 HD11 LEU 33 1HD1 LEU 33 10.397 -7.118 -20.728 256 HD12 LEU 33 2HD1 LEU 33 10.199 -7.086 -18.959 257 HD13 LEU 33 3HD1 LEU 33 10.025 -8.620 -19.846 258 HD21 LEU 33 1HD2 LEU 33 8.911 -5.369 -20.896 259 HD22 LEU 33 2HD2 LEU 33 7.167 -5.722 -20.963 260 HD23 LEU 33 3HD2 LEU 33 7.924 -5.263 -19.418 261 H TRP 34 HN TRP 34 7.662 -9.440 -18.105 262 HA TRP 34 HA TRP 34 10.154 -10.749 -18.111 263 HB2 TRP 34 2HB TRP 34 8.178 -10.141 -15.909 264 HB3 TRP 34 3HB TRP 34 9.751 -10.860 -15.631 265 HD1 TRP 34 1HD TRP 34 8.256 -7.542 -17.015 266 HE1 TRP 34 1HE TRP 34 9.949 -5.546 -16.682 267 HE3 TRP 34 3HE TRP 34 12.073 -10.386 -15.227 268 HZ2 TRP 34 2HZ TRP 34 12.634 -5.383 -15.729 269 HZ3 TRP 34 3HZ TRP 34 14.197 -9.230 -14.620 270 HH2 TRP 34 2HH TRP 34 14.511 -6.817 -14.846 271 H ASN 35 HN ASN 35 6.754 -11.769 -17.385 272 HA ASN 35 HA ASN 35 7.736 -14.512 -17.457 273 HB2 ASN 35 2HB ASN 35 5.244 -14.787 -16.393 274 HB3 ASN 35 3HB ASN 35 6.653 -14.472 -15.401 275 HD21 ASN 35 1HD2 ASN 35 7.062 -12.408 -14.610 276 HD22 ASN 35 2HD2 ASN 35 5.847 -11.179 -14.517 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 -22.474 -8.748 -2.271 2 HA2 GLY 1 1HA GLY 1 -21.889 -5.996 -2.961 3 HA3 GLY 1 2HA GLY 1 -22.763 -7.182 -3.911 4 H ILE 2 HN ILE 2 -23.059 -5.253 -0.847 5 HA ILE 2 HA ILE 2 -25.955 -5.330 -1.159 6 HB ILE 2 HB ILE 2 -24.048 -4.928 1.054 7 HG12 ILE 2 2HG1 ILE 2 -25.558 -6.302 2.248 8 HG13 ILE 2 3HG1 ILE 2 -26.881 -5.967 1.148 9 HG21 ILE 2 1HG2 ILE 2 -24.953 -2.771 1.246 10 HG22 ILE 2 2HG2 ILE 2 -26.591 -3.322 0.820 11 HG23 ILE 2 3HG2 ILE 2 -25.885 -3.763 2.393 12 HD11 ILE 2 1HD1 ILE 2 -24.358 -7.252 0.077 13 HD12 ILE 2 2HD1 ILE 2 -25.562 -8.241 0.937 14 HD13 ILE 2 3HD1 ILE 2 -26.023 -7.363 -0.541 15 H GLY 3 HN GLY 3 -23.173 -3.341 -1.810 16 HA2 GLY 3 1HA GLY 3 -24.811 -1.337 -3.030 17 HA3 GLY 3 2HA GLY 3 -24.087 -0.771 -1.539 18 H ALA 4 HN ALA 4 -23.302 0.579 -3.741 19 HA ALA 4 HA ALA 4 -20.994 -0.648 -4.935 20 HB1 ALA 4 1HB ALA 4 -22.659 0.976 -6.031 21 HB2 ALA 4 2HB ALA 4 -21.852 2.258 -5.095 22 HB3 ALA 4 3HB ALA 4 -20.929 1.309 -6.285 23 H PHE 5 HN PHE 5 -21.761 1.187 -2.072 24 HA PHE 5 HA PHE 5 -19.475 2.658 -1.692 25 HB2 PHE 5 2HB PHE 5 -21.180 0.999 0.263 26 HB3 PHE 5 3HB PHE 5 -20.101 2.285 0.767 27 HD1 PHE 5 1HD PHE 5 -20.615 4.640 0.142 28 HD2 PHE 5 2HD PHE 5 -23.344 1.481 -0.613 29 HE1 PHE 5 1HE PHE 5 -22.467 6.310 -0.150 30 HE2 PHE 5 2HE PHE 5 -25.196 3.150 -0.903 31 HZ PHE 5 HZ PHE 5 -24.735 5.544 -0.668 32 H GLY 6 HN GLY 6 -20.029 -0.852 -1.340 33 HA2 GLY 6 1HA GLY 6 -17.860 -1.547 0.244 34 HA3 GLY 6 2HA GLY 6 -18.612 -2.556 -0.975 35 H LEU 7 HN LEU 7 -18.063 -0.751 -3.258 36 HA LEU 7 HA LEU 7 -15.437 -1.678 -3.820 37 HB2 LEU 7 2HB LEU 7 -17.649 -1.065 -5.287 38 HB3 LEU 7 3HB LEU 7 -16.652 0.345 -5.583 39 HG LEU 7 HG LEU 7 -16.458 -1.530 -7.258 40 HD11 LEU 7 1HD1 LEU 7 -14.663 0.315 -6.525 41 HD12 LEU 7 2HD1 LEU 7 -13.725 -1.150 -6.150 42 HD13 LEU 7 3HD1 LEU 7 -14.350 -0.891 -7.796 43 HD21 LEU 7 1HD2 LEU 7 -14.520 -3.037 -5.682 44 HD22 LEU 7 2HD2 LEU 7 -16.168 -3.133 -5.018 45 HD23 LEU 7 3HD2 LEU 7 -15.861 -3.604 -6.707 46 H LEU 8 HN LEU 8 -16.942 1.480 -2.976 47 HA LEU 8 HA LEU 8 -14.533 2.932 -3.352 48 HB2 LEU 8 2HB LEU 8 -17.112 3.567 -1.916 49 HB3 LEU 8 3HB LEU 8 -15.794 4.707 -2.109 50 HG LEU 8 HG LEU 8 -17.076 5.347 -3.869 51 HD11 LEU 8 1HD1 LEU 8 -15.747 3.020 -5.268 52 HD12 LEU 8 2HD1 LEU 8 -16.154 4.623 -5.926 53 HD13 LEU 8 3HD1 LEU 8 -14.862 4.461 -4.713 54 HD21 LEU 8 1HD2 LEU 8 -18.386 2.851 -3.412 55 HD22 LEU 8 2HD2 LEU 8 -18.980 4.290 -4.275 56 HD23 LEU 8 3HD2 LEU 8 -18.091 3.026 -5.159 57 H GLY 9 HN GLY 9 -15.885 0.919 -0.803 58 HA2 GLY 9 1HA GLY 9 -14.136 2.024 1.241 59 HA3 GLY 9 2HA GLY 9 -15.304 0.730 1.411 60 H PHE 10 HN PHE 10 -14.066 -0.415 -1.271 61 HA PHE 10 HA PHE 10 -12.180 -2.086 0.116 62 HB2 PHE 10 2HB PHE 10 -13.427 -3.357 -1.414 63 HB3 PHE 10 3HB PHE 10 -13.766 -1.966 -2.423 64 HD1 PHE 10 1HD PHE 10 -12.845 -1.938 -4.533 65 HD2 PHE 10 2HD PHE 10 -10.854 -4.111 -1.480 66 HE1 PHE 10 1HE PHE 10 -11.154 -2.740 -6.206 67 HE2 PHE 10 2HE PHE 10 -9.163 -4.914 -3.153 68 HZ PHE 10 HZ PHE 10 -9.334 -4.219 -5.497 69 H LEU 11 HN LEU 11 -12.186 0.501 -2.363 70 HA LEU 11 HA LEU 11 -9.570 0.112 -3.263 71 HB2 LEU 11 2HB LEU 11 -11.195 1.399 -4.486 72 HB3 LEU 11 3HB LEU 11 -11.337 2.558 -3.179 73 HG LEU 11 HG LEU 11 -10.020 3.423 -5.059 74 HD11 LEU 11 1HD1 LEU 11 -8.583 4.590 -3.746 75 HD12 LEU 11 2HD1 LEU 11 -9.535 3.813 -2.459 76 HD13 LEU 11 3HD1 LEU 11 -7.958 3.135 -2.933 77 HD21 LEU 11 1HD2 LEU 11 -9.076 1.054 -5.569 78 HD22 LEU 11 2HD2 LEU 11 -8.071 2.489 -5.881 79 HD23 LEU 11 3HD2 LEU 11 -7.794 1.509 -4.421 80 H ALA 12 HN ALA 12 -10.944 2.151 -0.610 81 HA ALA 12 HA ALA 12 -8.610 3.411 0.134 82 HB1 ALA 12 1HB ALA 12 -11.117 3.618 0.918 83 HB2 ALA 12 2HB ALA 12 -10.616 2.459 2.174 84 HB3 ALA 12 3HB ALA 12 -9.799 4.035 2.041 85 H ALA 13 HN ALA 13 -9.641 0.055 0.525 86 HA ALA 13 HA ALA 13 -7.807 -0.538 2.624 87 HB1 ALA 13 1HB ALA 13 -9.072 -2.487 0.673 88 HB2 ALA 13 2HB ALA 13 -8.585 -2.770 2.362 89 HB3 ALA 13 3HB ALA 13 -9.992 -1.740 2.001 90 H GLY 14 HN GLY 14 -7.791 -0.587 -0.957 91 HA2 GLY 14 1HA GLY 14 -5.437 -2.096 -1.295 92 HA3 GLY 14 2HA GLY 14 -6.152 -0.983 -2.444 93 H SER 15 HN SER 15 -6.045 1.252 -0.307 94 HA SER 15 HA SER 15 -3.905 2.577 -1.175 95 HB2 SER 15 2HB SER 15 -5.318 2.614 1.504 96 HB3 SER 15 3HB SER 15 -3.965 3.689 1.215 97 HG SER 15 HG SER 15 -5.578 4.937 0.465 98 H LYS 16 HN LYS 16 -4.006 0.041 1.343 99 HA LYS 16 HA LYS 16 -1.301 0.510 2.167 100 HB2 LYS 16 2HB LYS 16 -3.281 -1.703 2.779 101 HB3 LYS 16 3HB LYS 16 -1.683 -1.587 3.488 102 HG2 LYS 16 2HG LYS 16 -3.102 -0.528 5.079 103 HG3 LYS 16 3HG LYS 16 -2.339 0.803 4.234 104 HD2 LYS 16 2HD LYS 16 -4.297 1.276 2.948 105 HD3 LYS 16 3HD LYS 16 -5.003 -0.295 3.272 106 HE2 LYS 16 2HE LYS 16 -5.945 0.410 5.228 107 HE3 LYS 16 3HE LYS 16 -4.462 1.176 5.764 108 HZ1 LYS 16 1HZ LYS 16 -6.618 2.341 4.141 109 HZ2 LYS 16 2HZ LYS 16 -5.849 2.985 5.422 110 H LYS 17 HN LYS 17 -3.042 -2.113 0.352 111 HA LYS 17 HA LYS 17 -0.431 -2.814 -0.795 112 HB2 LYS 17 2HB LYS 17 -1.904 -4.999 -1.302 113 HB3 LYS 17 3HB LYS 17 -0.965 -4.790 0.162 114 HG2 LYS 17 2HG LYS 17 -2.925 -4.012 1.400 115 HG3 LYS 17 3HG LYS 17 -3.886 -3.937 -0.065 116 HD2 LYS 17 2HD LYS 17 -2.800 -6.599 0.111 117 HD3 LYS 17 3HD LYS 17 -3.449 -6.197 1.688 118 HE2 LYS 17 2HE LYS 17 -5.164 -5.440 -0.650 119 HE3 LYS 17 3HE LYS 17 -4.971 -7.160 -0.376 120 HZ1 LYS 17 1HZ LYS 17 -5.454 -6.240 2.120 121 HZ2 LYS 17 2HZ LYS 17 -6.380 -5.227 1.242 122 H21 ACA 18 1HA ACA 18 -2.984 -7.025 -3.059 123 H22 ACA 18 2HA ACA 18 -4.249 -7.229 -4.254 124 H31 ACA 18 2HB ACA 18 -2.081 -5.873 -5.564 125 H32 ACA 18 3HB ACA 18 -2.313 -5.080 -4.018 126 H41 ACA 18 2HG ACA 18 -4.762 -5.731 -5.659 127 H42 ACA 18 3HG ACA 18 -3.756 -4.394 -6.178 128 H51 ACA 18 2HD ACA 18 -4.914 -4.696 -3.366 129 H52 ACA 18 3HD ACA 18 -5.614 -3.697 -4.623 130 H61 ACA 18 2HE ACA 18 -2.976 -2.990 -4.640 131 H62 ACA 18 3HE ACA 18 -4.432 -1.593 -3.877 132 HN61 ACA 18 HN ACA 18 -3.587 -3.907 -2.013 133 H LYS 19 HN LYS 19 -4.004 -9.229 -5.493 134 HA LYS 19 HA LYS 19 -1.957 -10.344 -3.710 135 HB2 LYS 19 2HB LYS 19 -4.870 -11.035 -4.124 136 HB3 LYS 19 3HB LYS 19 -3.756 -12.131 -3.334 137 HG2 LYS 19 2HG LYS 19 -3.874 -9.250 -2.412 138 HG3 LYS 19 3HG LYS 19 -5.146 -10.350 -1.917 139 HD2 LYS 19 2HD LYS 19 -3.559 -11.844 -0.839 140 HD3 LYS 19 3HD LYS 19 -2.192 -11.013 -1.553 141 HE2 LYS 19 2HE LYS 19 -2.671 -10.435 0.896 142 HE3 LYS 19 3HE LYS 19 -2.515 -9.062 -0.182 143 HZ1 LYS 19 1HZ LYS 19 -5.021 -10.205 0.899 144 HZ2 LYS 19 2HZ LYS 19 -4.476 -8.678 1.050 145 H ASN 20 HN ASN 20 -3.425 -10.396 -6.898 146 HA ASN 20 HA ASN 20 -1.516 -12.454 -7.597 147 HB2 ASN 20 2HB ASN 20 -4.375 -12.860 -7.496 148 HB3 ASN 20 3HB ASN 20 -3.918 -12.829 -9.188 149 HD21 ASN 20 1HD2 ASN 20 -3.697 -14.473 -6.161 150 HD22 ASN 20 2HD2 ASN 20 -2.895 -15.912 -6.697 151 H GLU 21 HN GLU 21 -1.265 -12.508 -10.106 152 HA GLU 21 HA GLU 21 -0.792 -9.989 -11.045 153 HB2 GLU 21 2HB GLU 21 -1.129 -12.676 -12.408 154 HB3 GLU 21 3HB GLU 21 -0.818 -11.238 -13.361 155 HG2 GLU 21 2HG GLU 21 1.046 -11.095 -11.232 156 HG3 GLU 21 3HG GLU 21 1.028 -12.787 -11.688 157 HE2 GLU 21 2HE GLU 21 2.006 -11.922 -15.060 158 H GLN 22 HN GLN 22 -3.691 -12.084 -11.399 159 HA GLN 22 HA GLN 22 -4.961 -10.599 -13.338 160 HB2 GLN 22 2HB GLN 22 -5.964 -12.410 -11.120 161 HB3 GLN 22 3HB GLN 22 -7.087 -11.625 -12.211 162 HG2 GLN 22 2HG GLN 22 -6.522 -12.972 -13.980 163 HG3 GLN 22 3HG GLN 22 -4.811 -12.918 -13.606 164 HE21 GLN 22 1HE2 GLN 22 -7.168 -14.981 -14.034 165 HE22 GLN 22 2HE2 GLN 22 -6.814 -16.231 -12.888 166 H GLU 23 HN GLU 23 -5.014 -10.330 -9.733 167 HA GLU 23 HA GLU 23 -6.950 -8.365 -9.616 168 HB2 GLU 23 2HB GLU 23 -4.914 -9.531 -7.815 169 HB3 GLU 23 3HB GLU 23 -5.288 -7.862 -7.435 170 HG2 GLU 23 2HG GLU 23 -7.765 -9.254 -8.016 171 HG3 GLU 23 3HG GLU 23 -6.853 -10.199 -6.855 172 HE2 GLU 23 2HE GLU 23 -7.537 -6.351 -6.086 173 H LEU 24 HN LEU 24 -3.471 -8.244 -10.348 174 HA LEU 24 HA LEU 24 -3.265 -5.423 -9.988 175 HB2 LEU 24 2HB LEU 24 -1.518 -7.606 -11.055 176 HB3 LEU 24 3HB LEU 24 -1.104 -5.934 -11.384 177 HG LEU 24 HG LEU 24 -0.587 -5.466 -9.191 178 HD11 LEU 24 1HD1 LEU 24 -2.655 -5.976 -8.127 179 HD12 LEU 24 2HD1 LEU 24 -2.432 -7.723 -8.382 180 HD13 LEU 24 3HD1 LEU 24 -1.378 -6.848 -7.246 181 HD21 LEU 24 1HD2 LEU 24 0.378 -7.828 -8.268 182 HD22 LEU 24 2HD2 LEU 24 0.184 -8.200 -9.998 183 HD23 LEU 24 3HD2 LEU 24 1.185 -6.818 -9.491 184 H LEU 25 HN LEU 25 -3.969 -7.678 -12.679 185 HA LEU 25 HA LEU 25 -3.708 -5.814 -14.742 186 HB2 LEU 25 2HB LEU 25 -4.889 -8.492 -14.351 187 HB3 LEU 25 3HB LEU 25 -5.576 -7.554 -15.663 188 HG LEU 25 HG LEU 25 -3.185 -7.212 -16.496 189 HD11 LEU 25 1HD1 LEU 25 -2.165 -7.917 -14.288 190 HD12 LEU 25 2HD1 LEU 25 -2.560 -9.593 -14.742 191 HD13 LEU 25 3HD1 LEU 25 -1.449 -8.636 -15.751 192 HD21 LEU 25 1HD2 LEU 25 -4.927 -8.805 -17.421 193 HD22 LEU 25 2HD2 LEU 25 -3.227 -9.201 -17.773 194 HD23 LEU 25 3HD2 LEU 25 -4.104 -10.091 -16.505 195 H GLU 26 HN GLU 26 -6.587 -6.860 -12.802 196 HA GLU 26 HA GLU 26 -8.368 -5.197 -14.098 197 HB2 GLU 26 2HB GLU 26 -8.297 -6.566 -11.411 198 HB3 GLU 26 3HB GLU 26 -9.570 -5.405 -11.723 199 HG2 GLU 26 2HG GLU 26 -9.735 -6.813 -14.039 200 HG3 GLU 26 3HG GLU 26 -9.067 -8.071 -13.019 201 HE2 GLU 26 2HE GLU 26 -12.745 -7.549 -13.133 202 H LEU 27 HN LEU 27 -6.378 -4.689 -11.115 203 HA LEU 27 HA LEU 27 -7.377 -2.201 -10.440 204 HB2 LEU 27 2HB LEU 27 -5.794 -3.817 -9.205 205 HB3 LEU 27 3HB LEU 27 -4.504 -3.010 -10.076 206 HG LEU 27 HG LEU 27 -4.559 -1.925 -8.019 207 HD11 LEU 27 1HD1 LEU 27 -6.377 -0.113 -9.609 208 HD12 LEU 27 2HD1 LEU 27 -5.065 0.324 -8.489 209 HD13 LEU 27 3HD1 LEU 27 -4.682 -0.411 -10.065 210 HD21 LEU 27 1HD2 LEU 27 -6.639 -2.908 -7.186 211 HD22 LEU 27 2HD2 LEU 27 -6.575 -1.158 -6.868 212 HD23 LEU 27 3HD2 LEU 27 -7.582 -1.784 -8.195 213 H ASP 28 HN ASP 28 -4.913 -3.179 -12.857 214 HA ASP 28 HA ASP 28 -3.942 -0.646 -13.356 215 HB2 ASP 28 2HB ASP 28 -3.800 -3.304 -14.529 216 HB3 ASP 28 3HB ASP 28 -3.983 -2.126 -15.813 217 HD2 ASP 28 2HD ASP 28 -2.358 -0.105 -15.072 218 H LYS 29 HN LYS 29 -6.636 -2.589 -14.818 219 HA LYS 29 HA LYS 29 -7.313 -0.717 -16.793 220 HB2 LYS 29 2HB LYS 29 -9.098 -2.796 -15.496 221 HB3 LYS 29 3HB LYS 29 -9.324 -2.041 -17.061 222 HG2 LYS 29 2HG LYS 29 -6.652 -3.121 -16.999 223 HG3 LYS 29 3HG LYS 29 -7.734 -4.362 -16.401 224 HD2 LYS 29 2HD LYS 29 -8.933 -4.494 -18.415 225 HD3 LYS 29 3HD LYS 29 -8.573 -2.841 -18.866 226 HE2 LYS 29 2HE LYS 29 -6.033 -3.932 -18.826 227 HE3 LYS 29 3HE LYS 29 -6.979 -5.320 -19.325 228 HZ1 LYS 29 1HZ LYS 29 -7.353 -2.701 -20.648 229 HZ2 LYS 29 2HZ LYS 29 -6.183 -3.721 -21.141 230 H TRP 30 HN TRP 30 -8.011 -0.979 -13.328 231 HA TRP 30 HA TRP 30 -10.245 0.731 -13.302 232 HB2 TRP 30 2HB TRP 30 -9.757 -0.793 -11.489 233 HB3 TRP 30 3HB TRP 30 -8.237 0.016 -11.161 234 HD1 TRP 30 1HD TRP 30 -12.006 0.432 -10.586 235 HE1 TRP 30 1HE TRP 30 -12.515 2.359 -8.857 236 HE3 TRP 30 3HE TRP 30 -7.243 2.197 -10.354 237 HZ2 TRP 30 2HZ TRP 30 -10.905 4.360 -7.614 238 HZ3 TRP 30 3HZ TRP 30 -6.797 4.141 -8.858 239 HH2 TRP 30 2HH TRP 30 -8.535 5.216 -7.516 240 H ALA 31 HN ALA 31 -6.806 1.335 -12.255 241 HA ALA 31 HA ALA 31 -7.034 4.074 -12.068 242 HB1 ALA 31 1HB ALA 31 -4.706 2.220 -12.670 243 HB2 ALA 31 2HB ALA 31 -4.499 3.971 -12.426 244 HB3 ALA 31 3HB ALA 31 -5.152 2.962 -11.114 245 H SER 32 HN SER 32 -6.755 1.964 -14.895 246 HA SER 32 HA SER 32 -5.704 3.677 -16.717 247 HB2 SER 32 2HB SER 32 -6.612 1.175 -16.862 248 HB3 SER 32 3HB SER 32 -8.056 1.946 -17.487 249 HG SER 32 HG SER 32 -7.026 2.534 -19.312 250 H LEU 33 HN LEU 33 -8.942 3.627 -15.239 251 HA LEU 33 HA LEU 33 -10.357 5.128 -17.055 252 HB2 LEU 33 2HB LEU 33 -11.849 5.616 -15.265 253 HB3 LEU 33 3HB LEU 33 -11.284 3.965 -15.108 254 HG LEU 33 HG LEU 33 -9.502 5.166 -13.486 255 HD11 LEU 33 1HD1 LEU 33 -11.993 6.821 -13.048 256 HD12 LEU 33 2HD1 LEU 33 -10.413 6.965 -12.240 257 HD13 LEU 33 3HD1 LEU 33 -10.577 7.401 -13.959 258 HD21 LEU 33 1HD2 LEU 33 -11.596 3.417 -13.206 259 HD22 LEU 33 2HD2 LEU 33 -10.480 3.914 -11.911 260 HD23 LEU 33 3HD2 LEU 33 -12.051 4.732 -12.097 261 H TRP 34 HN TRP 34 -7.928 6.120 -14.621 262 HA TRP 34 HA TRP 34 -8.443 8.882 -14.821 263 HB2 TRP 34 2HB TRP 34 -6.047 7.293 -13.904 264 HB3 TRP 34 3HB TRP 34 -6.103 9.044 -13.860 265 HD1 TRP 34 1HD TRP 34 -8.066 6.037 -12.335 266 HE1 TRP 34 1HE TRP 34 -9.095 6.692 -9.995 267 HE3 TRP 34 3HE TRP 34 -6.651 10.919 -12.489 268 HZ2 TRP 34 2HZ TRP 34 -9.199 9.123 -8.505 269 HZ3 TRP 34 3HZ TRP 34 -7.256 12.365 -10.550 270 HH2 TRP 34 2HH TRP 34 -8.486 11.540 -8.605 271 H ASN 35 HN ASN 35 -6.148 6.598 -16.445 272 HA ASN 35 HA ASN 35 -5.524 8.756 -18.291 273 HB2 ASN 35 2HB ASN 35 -3.613 7.150 -18.974 274 HB3 ASN 35 3HB ASN 35 -3.494 7.845 -17.371 275 HD21 ASN 35 1HD2 ASN 35 -3.921 6.608 -15.548 276 HD22 ASN 35 2HD2 ASN 35 -3.936 4.877 -15.565 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -19.388 -2.978 -8.915 2 HA2 GLY 1 1HA GLY 1 -20.782 -5.343 -9.618 3 HA3 GLY 1 2HA GLY 1 -20.569 -5.266 -7.879 4 H ILE 2 HN ILE 2 -22.831 -4.944 -7.484 5 HA ILE 2 HA ILE 2 -24.052 -2.597 -8.667 6 HB ILE 2 HB ILE 2 -24.953 -5.036 -7.258 7 HG12 ILE 2 2HG1 ILE 2 -26.711 -3.695 -9.192 8 HG13 ILE 2 3HG1 ILE 2 -25.113 -4.026 -9.826 9 HG21 ILE 2 1HG2 ILE 2 -26.259 -2.353 -6.874 10 HG22 ILE 2 2HG2 ILE 2 -27.225 -3.848 -6.903 11 HG23 ILE 2 3HG2 ILE 2 -25.942 -3.641 -5.687 12 HD11 ILE 2 1HD1 ILE 2 -26.437 -5.984 -10.278 13 HD12 ILE 2 2HD1 ILE 2 -25.362 -6.417 -8.928 14 HD13 ILE 2 3HD1 ILE 2 -27.070 -6.021 -8.615 15 H GLY 3 HN GLY 3 -22.531 -3.698 -5.665 16 HA2 GLY 3 1HA GLY 3 -23.489 -1.366 -4.193 17 HA3 GLY 3 2HA GLY 3 -22.549 -2.709 -3.574 18 H ALA 4 HN ALA 4 -22.461 0.489 -4.990 19 HA ALA 4 HA ALA 4 -19.652 0.404 -5.594 20 HB1 ALA 4 1HB ALA 4 -20.000 2.513 -6.506 21 HB2 ALA 4 2HB ALA 4 -21.628 1.809 -6.658 22 HB3 ALA 4 3HB ALA 4 -21.265 2.933 -5.326 23 H PHE 5 HN PHE 5 -21.479 0.491 -2.753 24 HA PHE 5 HA PHE 5 -19.948 2.431 -1.336 25 HB2 PHE 5 2HB PHE 5 -21.327 1.629 0.527 26 HB3 PHE 5 3HB PHE 5 -22.354 1.601 -0.894 27 HD1 PHE 5 1HD PHE 5 -20.325 -0.524 1.350 28 HD2 PHE 5 2HD PHE 5 -23.289 -0.426 -1.685 29 HE1 PHE 5 1HE PHE 5 -20.815 -2.952 1.751 30 HE2 PHE 5 2HE PHE 5 -23.780 -2.855 -1.284 31 HZ PHE 5 HZ PHE 5 -22.537 -4.089 0.429 32 H GLY 6 HN GLY 6 -19.857 -1.125 -1.816 33 HA2 GLY 6 1HA GLY 6 -17.891 -1.580 0.220 34 HA3 GLY 6 2HA GLY 6 -18.454 -2.705 -1.000 35 H LEU 7 HN LEU 7 -17.898 -0.711 -3.237 36 HA LEU 7 HA LEU 7 -15.277 -1.577 -3.786 37 HB2 LEU 7 2HB LEU 7 -17.413 -0.633 -5.220 38 HB3 LEU 7 3HB LEU 7 -16.302 0.719 -5.304 39 HG LEU 7 HG LEU 7 -16.040 -0.735 -7.230 40 HD11 LEU 7 1HD1 LEU 7 -13.933 0.027 -5.450 41 HD12 LEU 7 2HD1 LEU 7 -13.498 -1.509 -6.238 42 HD13 LEU 7 3HD1 LEU 7 -13.920 -0.090 -7.226 43 HD21 LEU 7 1HD2 LEU 7 -16.413 -2.913 -6.999 44 HD22 LEU 7 2HD2 LEU 7 -14.781 -3.042 -6.300 45 HD23 LEU 7 3HD2 LEU 7 -16.191 -2.838 -5.235 46 H LEU 8 HN LEU 8 -16.691 1.554 -2.675 47 HA LEU 8 HA LEU 8 -14.311 3.000 -2.774 48 HB2 LEU 8 2HB LEU 8 -16.967 3.461 -2.140 49 HB3 LEU 8 3HB LEU 8 -16.135 3.754 -0.626 50 HG LEU 8 HG LEU 8 -16.152 5.850 -1.579 51 HD11 LEU 8 1HD1 LEU 8 -13.631 5.426 -2.966 52 HD12 LEU 8 2HD1 LEU 8 -13.981 6.324 -1.470 53 HD13 LEU 8 3HD1 LEU 8 -13.688 4.570 -1.405 54 HD21 LEU 8 1HD2 LEU 8 -15.966 6.398 -3.888 55 HD22 LEU 8 2HD2 LEU 8 -15.412 4.758 -4.302 56 HD23 LEU 8 3HD2 LEU 8 -17.086 5.022 -3.761 57 H GLY 9 HN GLY 9 -15.838 1.076 -0.114 58 HA2 GLY 9 1HA GLY 9 -13.973 1.617 1.873 59 HA3 GLY 9 2HA GLY 9 -14.956 0.172 1.743 60 H PHE 10 HN PHE 10 -14.017 -0.984 -0.660 61 HA PHE 10 HA PHE 10 -11.655 -2.200 0.273 62 HB2 PHE 10 2HB PHE 10 -13.004 -3.562 -1.121 63 HB3 PHE 10 3HB PHE 10 -13.495 -2.212 -2.124 64 HD1 PHE 10 1HD PHE 10 -10.168 -3.707 -1.293 65 HD2 PHE 10 2HD PHE 10 -12.925 -2.585 -4.318 66 HE1 PHE 10 1HE PHE 10 -8.525 -4.416 -3.053 67 HE2 PHE 10 2HE PHE 10 -11.281 -3.294 -6.078 68 HZ PHE 10 HZ PHE 10 -9.101 -4.201 -5.426 69 H LEU 11 HN LEU 11 -12.344 0.547 -1.862 70 HA LEU 11 HA LEU 11 -9.886 0.551 -3.226 71 HB2 LEU 11 2HB LEU 11 -11.879 1.698 -4.017 72 HB3 LEU 11 3HB LEU 11 -11.849 2.770 -2.631 73 HG LEU 11 HG LEU 11 -10.952 3.598 -4.919 74 HD11 LEU 11 1HD1 LEU 11 -10.809 4.750 -2.680 75 HD12 LEU 11 2HD1 LEU 11 -9.179 4.055 -2.512 76 HD13 LEU 11 3HD1 LEU 11 -9.536 5.174 -3.849 77 HD21 LEU 11 1HD2 LEU 11 -8.654 3.175 -5.425 78 HD22 LEU 11 2HD2 LEU 11 -8.444 2.213 -3.942 79 HD23 LEU 11 3HD2 LEU 11 -9.477 1.605 -5.259 80 H ALA 12 HN ALA 12 -11.018 1.983 -0.126 81 HA ALA 12 HA ALA 12 -8.689 3.493 0.328 82 HB1 ALA 12 1HB ALA 12 -11.206 3.003 1.559 83 HB2 ALA 12 2HB ALA 12 -9.960 2.628 2.772 84 HB3 ALA 12 3HB ALA 12 -9.994 4.230 1.999 85 H ALA 13 HN ALA 13 -9.770 0.228 1.494 86 HA ALA 13 HA ALA 13 -7.377 -0.277 2.892 87 HB1 ALA 13 1HB ALA 13 -9.509 -2.140 1.771 88 HB2 ALA 13 2HB ALA 13 -8.258 -2.601 2.950 89 HB3 ALA 13 3HB ALA 13 -9.498 -1.402 3.390 90 H GLY 14 HN GLY 14 -8.334 -0.455 -0.495 91 HA2 GLY 14 1HA GLY 14 -6.210 -2.263 -1.249 92 HA3 GLY 14 2HA GLY 14 -7.328 -1.417 -2.301 93 H SER 15 HN SER 15 -6.650 1.200 -0.739 94 HA SER 15 HA SER 15 -4.857 2.180 -2.563 95 HB2 SER 15 2HB SER 15 -6.475 3.387 -0.894 96 HB3 SER 15 3HB SER 15 -5.138 3.321 0.236 97 HG SER 15 HG SER 15 -5.543 5.074 -1.805 98 H LYS 16 HN LYS 16 -4.348 0.225 0.279 99 HA LYS 16 HA LYS 16 -1.655 1.098 0.733 100 HB2 LYS 16 2HB LYS 16 -3.282 -1.213 1.826 101 HB3 LYS 16 3HB LYS 16 -1.643 -0.847 2.322 102 HG2 LYS 16 2HG LYS 16 -3.010 0.253 3.936 103 HG3 LYS 16 3HG LYS 16 -2.477 1.536 2.869 104 HD2 LYS 16 2HD LYS 16 -4.585 1.799 1.886 105 HD3 LYS 16 3HD LYS 16 -5.045 0.131 2.160 106 HE2 LYS 16 2HE LYS 16 -4.711 2.151 4.425 107 HE3 LYS 16 3HE LYS 16 -6.242 1.862 3.625 108 HZ1 LYS 16 1HZ LYS 16 -5.809 -0.589 4.222 109 HZ2 LYS 16 2HZ LYS 16 -4.690 -0.038 5.269 110 H LYS 17 HN LYS 17 -3.365 -1.425 -1.117 111 HA LYS 17 HA LYS 17 -0.858 -2.728 -1.756 112 HB2 LYS 17 2HB LYS 17 -2.323 -4.428 -1.641 113 HB3 LYS 17 3HB LYS 17 -3.714 -3.389 -1.867 114 HG2 LYS 17 2HG LYS 17 -3.558 -3.464 -4.236 115 HG3 LYS 17 3HG LYS 17 -1.872 -3.942 -4.210 116 HD2 LYS 17 2HD LYS 17 -3.988 -5.765 -3.019 117 HD3 LYS 17 3HD LYS 17 -3.720 -5.747 -4.751 118 HE2 LYS 17 2HE LYS 17 -1.162 -5.885 -3.336 119 HE3 LYS 17 3HE LYS 17 -2.223 -7.172 -2.795 120 HZ1 LYS 17 1HZ LYS 17 -0.902 -6.928 -5.298 121 HZ2 LYS 17 2HZ LYS 17 -1.693 -8.218 -4.696 122 H21 ACA 18 1HA ACA 18 -3.172 -1.878 -8.373 123 H22 ACA 18 2HA ACA 18 -4.734 -1.097 -8.227 124 H31 ACA 18 2HB ACA 18 -2.897 0.989 -8.862 125 H32 ACA 18 3HB ACA 18 -2.080 -0.008 -7.675 126 H41 ACA 18 2HG ACA 18 -4.912 1.091 -7.343 127 H42 ACA 18 3HG ACA 18 -3.479 1.828 -6.654 128 H51 ACA 18 2HD ACA 18 -4.683 -0.886 -5.986 129 H52 ACA 18 3HD ACA 18 -4.441 0.475 -4.910 130 H61 ACA 18 2HE ACA 18 -2.423 -1.318 -6.172 131 H62 ACA 18 3HE ACA 18 -1.553 0.477 -5.351 132 HN61 ACA 18 HN ACA 18 -3.623 -1.482 -3.764 133 H LYS 19 HN LYS 19 -5.495 0.310 -10.233 134 HA LYS 19 HA LYS 19 -5.449 -2.381 -11.328 135 HB2 LYS 19 2HB LYS 19 -7.695 -0.344 -11.285 136 HB3 LYS 19 3HB LYS 19 -7.823 -2.037 -11.717 137 HG2 LYS 19 2HG LYS 19 -6.532 -1.922 -9.151 138 HG3 LYS 19 3HG LYS 19 -7.906 -0.836 -9.082 139 HD2 LYS 19 2HD LYS 19 -8.934 -2.852 -8.503 140 HD3 LYS 19 3HD LYS 19 -9.209 -2.841 -10.233 141 HE2 LYS 19 2HE LYS 19 -8.222 -4.897 -10.238 142 HE3 LYS 19 3HE LYS 19 -6.706 -4.031 -10.086 143 HZ1 LYS 19 1HZ LYS 19 -6.488 -4.735 -7.966 144 HZ2 LYS 19 2HZ LYS 19 -8.024 -4.381 -7.556 145 H ASN 20 HN ASN 20 -5.812 1.064 -12.380 146 HA ASN 20 HA ASN 20 -4.724 0.222 -14.924 147 HB2 ASN 20 2HB ASN 20 -7.435 1.442 -14.447 148 HB3 ASN 20 3HB ASN 20 -6.535 2.074 -15.811 149 HD21 ASN 20 1HD2 ASN 20 -5.265 0.126 -16.954 150 HD22 ASN 20 2HD2 ASN 20 -6.287 -1.176 -17.465 151 H GLU 21 HN GLU 21 -4.092 2.306 -16.241 152 HA GLU 21 HA GLU 21 -2.454 3.869 -14.761 153 HB2 GLU 21 2HB GLU 21 -3.810 4.449 -17.426 154 HB3 GLU 21 3HB GLU 21 -2.525 5.445 -16.774 155 HG2 GLU 21 2HG GLU 21 -1.431 2.909 -16.520 156 HG3 GLU 21 3HG GLU 21 -2.386 2.728 -17.978 157 HE2 GLU 21 2HE GLU 21 0.073 4.057 -19.786 158 H GLN 22 HN GLN 22 -5.872 4.490 -15.733 159 HA GLN 22 HA GLN 22 -6.046 7.084 -14.910 160 HB2 GLN 22 2HB GLN 22 -7.780 5.693 -16.157 161 HB3 GLN 22 3HB GLN 22 -8.243 4.991 -14.619 162 HG2 GLN 22 2HG GLN 22 -8.544 7.450 -13.792 163 HG3 GLN 22 3HG GLN 22 -8.467 7.900 -15.484 164 HE21 GLN 22 1HE2 GLN 22 -10.658 8.682 -14.809 165 HE22 GLN 22 2HE2 GLN 22 -12.007 7.619 -15.033 166 H GLU 23 HN GLU 23 -6.505 4.041 -13.008 167 HA GLU 23 HA GLU 23 -7.283 5.293 -10.669 168 HB2 GLU 23 2HB GLU 23 -5.803 2.650 -11.041 169 HB3 GLU 23 3HB GLU 23 -6.636 3.137 -9.577 170 HG2 GLU 23 2HG GLU 23 -8.226 3.273 -12.120 171 HG3 GLU 23 3HG GLU 23 -7.820 1.669 -11.544 172 HE2 GLU 23 2HE GLU 23 -10.310 2.058 -11.411 173 H LEU 24 HN LEU 24 -4.100 4.769 -12.158 174 HA LEU 24 HA LEU 24 -2.609 5.268 -9.796 175 HB2 LEU 24 2HB LEU 24 -2.042 4.999 -12.714 176 HB3 LEU 24 3HB LEU 24 -0.830 5.749 -11.696 177 HG LEU 24 HG LEU 24 -0.381 3.802 -10.531 178 HD11 LEU 24 1HD1 LEU 24 -2.540 3.254 -9.696 179 HD12 LEU 24 2HD1 LEU 24 -3.136 2.831 -11.320 180 HD13 LEU 24 3HD1 LEU 24 -1.915 1.808 -10.525 181 HD21 LEU 24 1HD2 LEU 24 -0.915 1.961 -12.577 182 HD22 LEU 24 2HD2 LEU 24 -0.697 3.528 -13.391 183 HD23 LEU 24 3HD2 LEU 24 0.576 2.899 -12.318 184 H LEU 25 HN LEU 25 -3.879 7.253 -12.509 185 HA LEU 25 HA LEU 25 -2.499 9.585 -11.928 186 HB2 LEU 25 2HB LEU 25 -4.435 8.715 -13.732 187 HB3 LEU 25 3HB LEU 25 -5.212 10.028 -12.870 188 HG LEU 25 HG LEU 25 -2.478 10.306 -14.132 189 HD11 LEU 25 1HD1 LEU 25 -3.340 10.889 -16.160 190 HD12 LEU 25 2HD1 LEU 25 -4.550 9.680 -15.667 191 HD13 LEU 25 3HD1 LEU 25 -4.898 11.416 -15.480 192 HD21 LEU 25 1HD2 LEU 25 -4.439 12.171 -12.849 193 HD22 LEU 25 2HD2 LEU 25 -2.670 12.074 -12.680 194 HD23 LEU 25 3HD2 LEU 25 -3.387 12.771 -14.153 195 H GLU 26 HN GLU 26 -5.583 8.259 -10.611 196 HA GLU 26 HA GLU 26 -6.291 10.483 -9.162 197 HB2 GLU 26 2HB GLU 26 -6.825 7.517 -8.841 198 HB3 GLU 26 3HB GLU 26 -7.430 8.649 -7.648 199 HG2 GLU 26 2HG GLU 26 -7.980 9.640 -10.343 200 HG3 GLU 26 3HG GLU 26 -8.599 8.011 -10.163 201 HE2 GLU 26 2HE GLU 26 -9.926 8.744 -7.114 202 H LEU 27 HN LEU 27 -3.875 7.948 -8.539 203 HA LEU 27 HA LEU 27 -3.573 8.390 -5.791 204 HB2 LEU 27 2HB LEU 27 -2.701 6.543 -7.491 205 HB3 LEU 27 3HB LEU 27 -1.271 7.555 -7.487 206 HG LEU 27 HG LEU 27 -1.003 5.782 -5.884 207 HD11 LEU 27 1HD1 LEU 27 -0.302 8.247 -5.390 208 HD12 LEU 27 2HD1 LEU 27 -1.551 8.151 -4.126 209 HD13 LEU 27 3HD1 LEU 27 -0.183 7.013 -4.113 210 HD21 LEU 27 1HD2 LEU 27 -3.783 6.379 -5.249 211 HD22 LEU 27 2HD2 LEU 27 -2.829 4.904 -4.963 212 HD23 LEU 27 3HD2 LEU 27 -2.766 6.244 -3.794 213 H ASP 28 HN ASP 28 -2.047 9.878 -8.700 214 HA ASP 28 HA ASP 28 -0.133 11.328 -7.429 215 HB2 ASP 28 2HB ASP 28 -0.551 11.113 -9.931 216 HB3 ASP 28 3HB ASP 28 -1.853 12.274 -9.769 217 HD2 ASP 28 2HD ASP 28 1.694 12.801 -10.523 218 H LYS 29 HN LYS 29 -3.649 11.954 -7.908 219 HA LYS 29 HA LYS 29 -3.580 14.609 -6.922 220 HB2 LYS 29 2HB LYS 29 -5.866 12.646 -7.273 221 HB3 LYS 29 3HB LYS 29 -6.058 14.339 -6.863 222 HG2 LYS 29 2HG LYS 29 -4.855 14.978 -8.970 223 HG3 LYS 29 3HG LYS 29 -4.685 13.283 -9.382 224 HD2 LYS 29 2HD LYS 29 -7.458 13.716 -8.774 225 HD3 LYS 29 3HD LYS 29 -6.958 15.031 -9.818 226 HE2 LYS 29 2HE LYS 29 -6.694 13.657 -11.635 227 HE3 LYS 29 3HE LYS 29 -5.910 12.403 -10.697 228 HZ1 LYS 29 1HZ LYS 29 -8.306 12.043 -9.767 229 HZ2 LYS 29 2HZ LYS 29 -8.793 12.815 -11.116 230 H TRP 30 HN TRP 30 -3.769 11.377 -5.481 231 HA TRP 30 HA TRP 30 -4.767 12.242 -2.974 232 HB2 TRP 30 2HB TRP 30 -5.020 9.958 -3.729 233 HB3 TRP 30 3HB TRP 30 -3.281 9.747 -3.812 234 HD1 TRP 30 1HD TRP 30 -6.142 9.847 -1.258 235 HE1 TRP 30 1HE TRP 30 -5.354 8.998 1.113 236 HE3 TRP 30 3HE TRP 30 -1.190 9.648 -2.394 237 HZ2 TRP 30 2HZ TRP 30 -2.805 8.352 2.222 238 HZ3 TRP 30 3HZ TRP 30 0.382 8.898 -0.611 239 HH2 TRP 30 2HH TRP 30 -0.354 8.263 1.632 240 H ALA 31 HN ALA 31 -1.473 11.046 -3.980 241 HA ALA 31 HA ALA 31 -0.154 11.877 -1.708 242 HB1 ALA 31 1HB ALA 31 0.928 10.368 -3.182 243 HB2 ALA 31 2HB ALA 31 0.696 11.438 -4.586 244 HB3 ALA 31 3HB ALA 31 1.864 11.876 -3.317 245 H SER 32 HN SER 32 -1.335 13.707 -4.497 246 HA SER 32 HA SER 32 0.301 15.869 -4.429 247 HB2 SER 32 2HB SER 32 -1.145 16.407 -6.074 248 HB3 SER 32 3HB SER 32 -2.273 15.189 -5.514 249 HG SER 32 HG SER 32 -2.161 17.982 -4.885 250 H LEU 33 HN LEU 33 -2.286 14.897 -2.184 251 HA LEU 33 HA LEU 33 -2.818 17.295 -0.949 252 HB2 LEU 33 2HB LEU 33 -3.628 16.003 0.880 253 HB3 LEU 33 3HB LEU 33 -4.041 15.197 -0.621 254 HG LEU 33 HG LEU 33 -1.750 13.894 -0.074 255 HD11 LEU 33 1HD1 LEU 33 -1.474 15.265 2.030 256 HD12 LEU 33 2HD1 LEU 33 -2.883 14.395 2.685 257 HD13 LEU 33 3HD1 LEU 33 -1.412 13.498 2.240 258 HD21 LEU 33 1HD2 LEU 33 -3.060 12.064 0.322 259 HD22 LEU 33 2HD2 LEU 33 -4.162 12.942 1.411 260 HD23 LEU 33 3HD2 LEU 33 -4.281 13.172 -0.350 261 H TRP 34 HN TRP 34 -0.071 15.019 -0.504 262 HA TRP 34 HA TRP 34 0.992 16.321 1.750 263 HB2 TRP 34 2HB TRP 34 2.271 14.542 -0.330 264 HB3 TRP 34 3HB TRP 34 3.071 15.085 1.132 265 HD1 TRP 34 1HD TRP 34 0.080 12.843 0.076 266 HE1 TRP 34 1HE TRP 34 -0.467 11.066 1.947 267 HE3 TRP 34 3HE TRP 34 3.373 14.658 3.498 268 HZ2 TRP 34 2HZ TRP 34 0.516 10.628 4.590 269 HZ3 TRP 34 3HZ TRP 34 3.517 13.497 5.700 270 HH2 TRP 34 2HH TRP 34 2.157 11.549 6.270 271 H ASN 35 HN ASN 35 1.654 16.516 -1.815 272 HA ASN 35 HA ASN 35 3.024 19.024 -1.242 273 HB2 ASN 35 2HB ASN 35 3.891 18.470 -3.748 274 HB3 ASN 35 3HB ASN 35 4.701 17.827 -2.332 275 HD21 ASN 35 1HD2 ASN 35 4.666 15.698 -1.888 276 HD22 ASN 35 2HD2 ASN 35 3.942 14.482 -2.887 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 -30.928 -2.055 -4.930 2 HA2 GLY 1 1HA GLY 1 -29.617 -4.022 -3.727 3 HA3 GLY 1 2HA GLY 1 -29.455 -4.528 -5.397 4 H ILE 2 HN ILE 2 -29.318 -1.357 -3.605 5 HA ILE 2 HA ILE 2 -26.966 -0.701 -5.215 6 HB ILE 2 HB ILE 2 -28.901 0.989 -3.635 7 HG12 ILE 2 2HG1 ILE 2 -29.539 0.034 -5.923 8 HG13 ILE 2 3HG1 ILE 2 -29.718 1.761 -5.682 9 HG21 ILE 2 1HG2 ILE 2 -26.442 1.898 -5.157 10 HG22 ILE 2 2HG2 ILE 2 -27.646 2.940 -4.360 11 HG23 ILE 2 3HG2 ILE 2 -26.615 1.864 -3.386 12 HD11 ILE 2 1HD1 ILE 2 -27.121 0.676 -6.802 13 HD12 ILE 2 2HD1 ILE 2 -28.535 0.881 -7.864 14 HD13 ILE 2 3HD1 ILE 2 -27.848 2.287 -7.015 15 H GLY 3 HN GLY 3 -24.979 -0.881 -4.337 16 HA2 GLY 3 1HA GLY 3 -24.477 -0.169 -1.610 17 HA3 GLY 3 2HA GLY 3 -24.449 -1.905 -1.850 18 H ALA 4 HN ALA 4 -23.478 0.728 -4.142 19 HA ALA 4 HA ALA 4 -21.048 -0.656 -4.724 20 HB1 ALA 4 1HB ALA 4 -22.543 1.742 -5.685 21 HB2 ALA 4 2HB ALA 4 -20.782 1.743 -5.946 22 HB3 ALA 4 3HB ALA 4 -21.779 0.425 -6.606 23 H PHE 5 HN PHE 5 -22.033 1.187 -2.102 24 HA PHE 5 HA PHE 5 -19.820 2.899 -1.782 25 HB2 PHE 5 2HB PHE 5 -22.045 1.665 -0.111 26 HB3 PHE 5 3HB PHE 5 -20.751 2.481 0.743 27 HD1 PHE 5 1HD PHE 5 -22.747 3.211 -2.339 28 HD2 PHE 5 2HD PHE 5 -21.332 4.597 1.414 29 HE1 PHE 5 1HE PHE 5 -23.883 5.416 -2.725 30 HE2 PHE 5 2HE PHE 5 -22.467 6.802 1.027 31 HZ PHE 5 HZ PHE 5 -23.728 7.185 -1.038 32 H GLY 6 HN GLY 6 -20.155 -0.531 -1.557 33 HA2 GLY 6 1HA GLY 6 -18.236 -0.966 0.534 34 HA3 GLY 6 2HA GLY 6 -18.928 -2.154 -0.553 35 H LEU 7 HN LEU 7 -18.250 -1.044 -3.091 36 HA LEU 7 HA LEU 7 -15.656 -2.000 -3.385 37 HB2 LEU 7 2HB LEU 7 -17.749 -1.383 -5.022 38 HB3 LEU 7 3HB LEU 7 -16.626 -0.095 -5.410 39 HG LEU 7 HG LEU 7 -16.465 -2.080 -6.900 40 HD11 LEU 7 1HD1 LEU 7 -14.562 -0.812 -7.049 41 HD12 LEU 7 2HD1 LEU 7 -14.136 -1.038 -5.335 42 HD13 LEU 7 3HD1 LEU 7 -13.879 -2.361 -6.499 43 HD21 LEU 7 1HD2 LEU 7 -16.303 -4.163 -6.149 44 HD22 LEU 7 2HD2 LEU 7 -14.900 -3.753 -5.134 45 HD23 LEU 7 3HD2 LEU 7 -16.550 -3.528 -4.504 46 H LEU 8 HN LEU 8 -16.954 1.333 -2.968 47 HA LEU 8 HA LEU 8 -14.562 2.671 -3.459 48 HB2 LEU 8 2HB LEU 8 -17.210 3.260 -2.584 49 HB3 LEU 8 3HB LEU 8 -16.092 4.044 -1.485 50 HG LEU 8 HG LEU 8 -16.812 5.485 -3.363 51 HD11 LEU 8 1HD1 LEU 8 -14.867 6.594 -3.311 52 HD12 LEU 8 2HD1 LEU 8 -14.331 5.282 -2.234 53 HD13 LEU 8 3HD1 LEU 8 -13.947 5.220 -3.971 54 HD21 LEU 8 1HD2 LEU 8 -16.031 3.164 -4.930 55 HD22 LEU 8 2HD2 LEU 8 -17.028 4.569 -5.378 56 HD23 LEU 8 3HD2 LEU 8 -15.255 4.656 -5.515 57 H GLY 9 HN GLY 9 -15.607 0.659 -0.791 58 HA2 GLY 9 1HA GLY 9 -13.718 1.776 1.098 59 HA3 GLY 9 2HA GLY 9 -14.774 0.395 1.322 60 H PHE 10 HN PHE 10 -14.010 -1.042 -1.129 61 HA PHE 10 HA PHE 10 -11.761 -2.393 -0.099 62 HB2 PHE 10 2HB PHE 10 -13.345 -3.655 -1.392 63 HB3 PHE 10 3HB PHE 10 -13.511 -2.387 -2.589 64 HD1 PHE 10 1HD PHE 10 -12.910 -3.229 -4.649 65 HD2 PHE 10 2HD PHE 10 -10.518 -4.203 -1.281 66 HE1 PHE 10 1HE PHE 10 -11.292 -4.430 -6.145 67 HE2 PHE 10 2HE PHE 10 -8.900 -5.404 -2.779 68 HZ PHE 10 HZ PHE 10 -9.307 -5.503 -5.192 69 H LEU 11 HN LEU 11 -12.199 0.299 -2.338 70 HA LEU 11 HA LEU 11 -9.717 -0.033 -3.676 71 HB2 LEU 11 2HB LEU 11 -11.506 1.112 -4.754 72 HB3 LEU 11 3HB LEU 11 -11.673 2.248 -3.430 73 HG LEU 11 HG LEU 11 -10.543 3.065 -5.571 74 HD11 LEU 11 1HD1 LEU 11 -10.311 3.846 -2.956 75 HD12 LEU 11 2HD1 LEU 11 -8.608 3.664 -3.441 76 HD13 LEU 11 3HD1 LEU 11 -9.684 4.742 -4.361 77 HD21 LEU 11 1HD2 LEU 11 -9.058 1.360 -6.164 78 HD22 LEU 11 2HD2 LEU 11 -8.009 2.644 -5.516 79 HD23 LEU 11 3HD2 LEU 11 -8.400 1.225 -4.516 80 H ALA 12 HN ALA 12 -10.891 2.006 -0.924 81 HA ALA 12 HA ALA 12 -8.408 3.268 -0.519 82 HB1 ALA 12 1HB ALA 12 -10.866 3.810 0.288 83 HB2 ALA 12 2HB ALA 12 -10.407 2.810 1.687 84 HB3 ALA 12 3HB ALA 12 -9.469 4.270 1.291 85 H ALA 13 HN ALA 13 -9.593 0.058 0.126 86 HA ALA 13 HA ALA 13 -8.112 -0.540 2.422 87 HB1 ALA 13 1HB ALA 13 -8.354 -2.838 0.728 88 HB2 ALA 13 2HB ALA 13 -9.331 -2.405 2.151 89 HB3 ALA 13 3HB ALA 13 -9.825 -1.854 0.532 90 H GLY 14 HN GLY 14 -7.357 -0.781 -1.108 91 HA2 GLY 14 1HA GLY 14 -4.850 -2.000 -0.846 92 HA3 GLY 14 2HA GLY 14 -5.407 -1.030 -2.196 93 H SER 15 HN SER 15 -5.951 1.305 -0.227 94 HA SER 15 HA SER 15 -3.407 2.474 -0.579 95 HB2 SER 15 2HB SER 15 -4.449 4.482 -0.021 96 HB3 SER 15 3HB SER 15 -5.818 3.547 -0.589 97 HG SER 15 HG SER 15 -6.423 4.476 1.382 98 H LYS 16 HN LYS 16 -5.128 0.807 2.025 99 HA LYS 16 HA LYS 16 -3.779 1.833 4.221 100 HB2 LYS 16 2HB LYS 16 -4.973 -0.912 3.742 101 HB3 LYS 16 3HB LYS 16 -4.439 -0.325 5.303 102 HG2 LYS 16 2HG LYS 16 -6.247 1.541 3.842 103 HG3 LYS 16 3HG LYS 16 -6.986 0.015 4.285 104 HD2 LYS 16 2HD LYS 16 -5.363 1.518 6.353 105 HD3 LYS 16 3HD LYS 16 -6.990 2.059 5.990 106 HE2 LYS 16 2HE LYS 16 -7.966 -0.018 6.689 107 HE3 LYS 16 3HE LYS 16 -6.432 -0.863 6.620 108 HZ1 LYS 16 1HZ LYS 16 -7.097 1.283 8.567 109 HZ2 LYS 16 2HZ LYS 16 -7.018 -0.307 8.910 110 H LYS 17 HN LYS 17 -2.762 -0.381 1.663 111 HA LYS 17 HA LYS 17 -0.372 -1.066 3.189 112 HB2 LYS 17 2HB LYS 17 -1.541 -2.162 0.618 113 HB3 LYS 17 3HB LYS 17 0.014 -2.646 1.261 114 HG2 LYS 17 2HG LYS 17 -1.071 -4.172 2.540 115 HG3 LYS 17 3HG LYS 17 -1.725 -2.842 3.475 116 HD2 LYS 17 2HD LYS 17 -3.738 -2.757 2.156 117 HD3 LYS 17 3HD LYS 17 -3.044 -3.742 0.884 118 HE2 LYS 17 2HE LYS 17 -2.992 -5.103 3.506 119 HE3 LYS 17 3HE LYS 17 -4.617 -4.668 3.016 120 HZ1 LYS 17 1HZ LYS 17 -2.691 -6.275 1.428 121 HZ2 LYS 17 2HZ LYS 17 -4.082 -6.806 2.087 122 H21 ACA 18 1HA ACA 18 4.227 3.321 -1.810 123 H22 ACA 18 2HA ACA 18 5.048 2.022 -0.967 124 H31 ACA 18 2HB ACA 18 3.860 0.877 -3.322 125 H32 ACA 18 3HB ACA 18 2.641 1.890 -2.576 126 H41 ACA 18 2HG ACA 18 4.271 -0.009 -0.863 127 H42 ACA 18 3HG ACA 18 2.918 -0.622 -1.792 128 H51 ACA 18 2HD ACA 18 2.616 1.797 0.030 129 H52 ACA 18 3HD ACA 18 2.463 0.167 0.652 130 H61 ACA 18 2HE ACA 18 0.583 1.756 -0.645 131 H62 ACA 18 3HE ACA 18 0.801 0.279 -2.200 132 HN61 ACA 18 HN ACA 18 -0.390 -0.857 -0.345 133 H LYS 19 HN LYS 19 7.304 1.896 -1.669 134 HA LYS 19 HA LYS 19 7.218 4.549 -2.587 135 HB2 LYS 19 2HB LYS 19 9.574 4.606 -1.949 136 HB3 LYS 19 3HB LYS 19 8.600 3.841 -0.709 137 HG2 LYS 19 2HG LYS 19 9.224 1.581 -1.803 138 HG3 LYS 19 3HG LYS 19 10.398 2.468 -2.753 139 HD2 LYS 19 2HD LYS 19 11.802 2.824 -0.955 140 HD3 LYS 19 3HD LYS 19 10.479 3.038 0.175 141 HE2 LYS 19 2HE LYS 19 11.156 0.310 -1.004 142 HE3 LYS 19 3HE LYS 19 11.934 0.907 0.448 143 HZ1 LYS 19 1HZ LYS 19 9.947 -0.413 0.963 144 HZ2 LYS 19 2HZ LYS 19 9.739 1.118 1.480 145 H ASN 20 HN ASN 20 8.986 1.627 -3.832 146 HA ASN 20 HA ASN 20 8.540 2.595 -6.483 147 HB2 ASN 20 2HB ASN 20 11.318 2.440 -5.233 148 HB3 ASN 20 3HB ASN 20 11.109 2.255 -6.963 149 HD21 ASN 20 1HD2 ASN 20 12.263 4.357 -5.072 150 HD22 ASN 20 2HD2 ASN 20 11.622 5.865 -5.633 151 H GLU 21 HN GLU 21 8.143 0.747 -7.728 152 HA GLU 21 HA GLU 21 8.420 -1.773 -6.527 153 HB2 GLU 21 2HB GLU 21 7.438 -0.696 -9.147 154 HB3 GLU 21 3HB GLU 21 7.885 -2.391 -9.119 155 HG2 GLU 21 2HG GLU 21 6.145 -1.318 -6.890 156 HG3 GLU 21 3HG GLU 21 5.415 -1.610 -8.457 157 HE2 GLU 21 2HE GLU 21 7.421 -4.741 -7.139 158 H GLN 22 HN GLN 22 10.193 -0.009 -9.132 159 HA GLN 22 HA GLN 22 11.769 -2.027 -10.020 160 HB2 GLN 22 2HB GLN 22 11.675 0.809 -10.238 161 HB3 GLN 22 3HB GLN 22 13.326 0.425 -9.792 162 HG2 GLN 22 2HG GLN 22 13.481 0.187 -12.102 163 HG3 GLN 22 3HG GLN 22 13.075 -1.462 -11.665 164 HE21 GLN 22 1HE2 GLN 22 12.608 0.063 -14.125 165 HE22 GLN 22 2HE2 GLN 22 10.908 0.002 -14.449 166 H GLU 23 HN GLU 23 12.444 0.251 -7.270 167 HA GLU 23 HA GLU 23 14.889 -0.769 -6.602 168 HB2 GLU 23 2HB GLU 23 14.690 0.947 -5.152 169 HB3 GLU 23 3HB GLU 23 12.975 1.057 -5.496 170 HG2 GLU 23 2HG GLU 23 12.555 -0.774 -3.804 171 HG3 GLU 23 3HG GLU 23 14.264 -0.778 -3.421 172 HE2 GLU 23 2HE GLU 23 13.856 1.653 -1.136 173 H LEU 24 HN LEU 24 11.619 -2.012 -5.964 174 HA LEU 24 HA LEU 24 12.443 -3.849 -3.953 175 HB2 LEU 24 2HB LEU 24 10.052 -2.822 -4.907 176 HB3 LEU 24 3HB LEU 24 10.001 -4.501 -5.406 177 HG LEU 24 HG LEU 24 8.942 -4.478 -3.327 178 HD11 LEU 24 1HD1 LEU 24 10.059 -6.303 -2.745 179 HD12 LEU 24 2HD1 LEU 24 11.548 -5.700 -3.512 180 HD13 LEU 24 3HD1 LEU 24 11.181 -5.273 -1.823 181 HD21 LEU 24 1HD2 LEU 24 11.131 -2.607 -2.413 182 HD22 LEU 24 2HD2 LEU 24 9.381 -2.303 -2.521 183 HD23 LEU 24 3HD2 LEU 24 10.016 -3.416 -1.286 184 H LEU 25 HN LEU 25 11.851 -3.992 -7.510 185 HA LEU 25 HA LEU 25 12.163 -6.722 -7.807 186 HB2 LEU 25 2HB LEU 25 12.107 -4.347 -9.474 187 HB3 LEU 25 3HB LEU 25 13.229 -5.541 -10.097 188 HG LEU 25 HG LEU 25 11.453 -7.230 -10.148 189 HD11 LEU 25 1HD1 LEU 25 9.044 -6.216 -9.863 190 HD12 LEU 25 2HD1 LEU 25 9.951 -6.832 -8.461 191 HD13 LEU 25 3HD1 LEU 25 9.882 -5.081 -8.778 192 HD21 LEU 25 1HD2 LEU 25 11.064 -6.546 -12.220 193 HD22 LEU 25 2HD2 LEU 25 9.922 -5.317 -11.622 194 HD23 LEU 25 3HD2 LEU 25 11.650 -4.921 -11.790 195 H GLU 26 HN GLU 26 14.541 -4.125 -7.306 196 HA GLU 26 HA GLU 26 16.753 -5.614 -8.132 197 HB2 GLU 26 2HB GLU 26 16.680 -3.342 -6.102 198 HB3 GLU 26 3HB GLU 26 18.076 -3.868 -7.020 199 HG2 GLU 26 2HG GLU 26 15.729 -3.238 -8.720 200 HG3 GLU 26 3HG GLU 26 16.295 -1.865 -7.789 201 HE2 GLU 26 2HE GLU 26 18.345 -0.914 -8.725 202 H LEU 27 HN LEU 27 15.024 -5.244 -5.009 203 HA LEU 27 HA LEU 27 16.875 -6.380 -3.326 204 HB2 LEU 27 2HB LEU 27 14.364 -5.382 -3.105 205 HB3 LEU 27 3HB LEU 27 14.043 -7.089 -2.876 206 HG LEU 27 HG LEU 27 14.339 -6.039 -0.735 207 HD11 LEU 27 1HD1 LEU 27 16.633 -7.832 -1.548 208 HD12 LEU 27 2HD1 LEU 27 16.330 -7.339 0.137 209 HD13 LEU 27 3HD1 LEU 27 15.105 -8.278 -0.751 210 HD21 LEU 27 1HD2 LEU 27 15.549 -4.112 -0.943 211 HD22 LEU 27 2HD2 LEU 27 16.795 -5.183 -0.259 212 HD23 LEU 27 3HD2 LEU 27 16.768 -4.853 -2.007 213 H ASP 28 HN ASP 28 14.629 -7.899 -5.662 214 HA ASP 28 HA ASP 28 14.853 -10.479 -4.742 215 HB2 ASP 28 2HB ASP 28 13.232 -9.745 -6.466 216 HB3 ASP 28 3HB ASP 28 14.537 -9.420 -7.590 217 HD2 ASP 28 2HD ASP 28 12.829 -10.793 -8.503 218 H LYS 29 HN LYS 29 16.962 -8.420 -6.774 219 HA LYS 29 HA LYS 29 18.621 -10.574 -7.646 220 HB2 LYS 29 2HB LYS 29 19.149 -7.589 -7.713 221 HB3 LYS 29 3HB LYS 29 19.981 -8.824 -8.637 222 HG2 LYS 29 2HG LYS 29 17.297 -9.324 -9.238 223 HG3 LYS 29 3HG LYS 29 17.339 -7.576 -9.116 224 HD2 LYS 29 2HD LYS 29 18.951 -7.360 -10.855 225 HD3 LYS 29 3HD LYS 29 19.474 -9.026 -10.710 226 HE2 LYS 29 2HE LYS 29 17.824 -9.796 -12.100 227 HE3 LYS 29 3HE LYS 29 16.596 -8.790 -11.357 228 HZ1 LYS 29 1HZ LYS 29 16.763 -7.537 -13.205 229 HZ2 LYS 29 2HZ LYS 29 18.214 -7.013 -12.681 230 H TRP 30 HN TRP 30 18.443 -8.383 -4.870 231 HA TRP 30 HA TRP 30 21.121 -8.744 -4.031 232 HB2 TRP 30 2HB TRP 30 19.806 -6.836 -3.337 233 HB3 TRP 30 3HB TRP 30 18.637 -7.874 -2.547 234 HD1 TRP 30 1HD TRP 30 22.139 -6.404 -2.018 235 HE1 TRP 30 1HE TRP 30 22.973 -6.756 0.461 236 HE3 TRP 30 3HE TRP 30 18.348 -9.492 -0.625 237 HZ2 TRP 30 2HZ TRP 30 21.976 -8.253 2.677 238 HZ3 TRP 30 3HZ TRP 30 18.353 -10.355 1.714 239 HH2 TRP 30 2HH TRP 30 20.085 -9.783 3.342 240 H ALA 31 HN ALA 31 17.986 -10.006 -2.663 241 HA ALA 31 HA ALA 31 19.128 -11.890 -1.008 242 HB1 ALA 31 1HB ALA 31 16.666 -10.985 -1.333 243 HB2 ALA 31 2HB ALA 31 16.502 -12.409 -2.389 244 HB3 ALA 31 3HB ALA 31 16.943 -12.617 -0.677 245 H SER 32 HN SER 32 18.640 -11.883 -4.512 246 HA SER 32 HA SER 32 18.611 -14.544 -5.035 247 HB2 SER 32 2HB SER 32 19.196 -12.085 -6.470 248 HB3 SER 32 3HB SER 32 20.296 -13.341 -7.001 249 HG SER 32 HG SER 32 18.186 -13.207 -8.164 250 H LEU 33 HN LEU 33 21.297 -12.458 -3.986 251 HA LEU 33 HA LEU 33 23.455 -13.986 -4.737 252 HB2 LEU 33 2HB LEU 33 24.673 -12.831 -3.049 253 HB3 LEU 33 3HB LEU 33 23.542 -11.723 -3.802 254 HG LEU 33 HG LEU 33 22.035 -12.484 -1.703 255 HD11 LEU 33 1HD1 LEU 33 23.843 -14.007 -0.886 256 HD12 LEU 33 2HD1 LEU 33 24.849 -12.568 -0.587 257 HD13 LEU 33 3HD1 LEU 33 23.317 -12.782 0.295 258 HD21 LEU 33 1HD2 LEU 33 22.211 -10.331 -1.121 259 HD22 LEU 33 2HD2 LEU 33 23.977 -10.426 -0.914 260 HD23 LEU 33 3HD2 LEU 33 23.282 -10.191 -2.536 261 H TRP 34 HN TRP 34 21.285 -14.306 -1.873 262 HA TRP 34 HA TRP 34 22.667 -16.242 -0.508 263 HB2 TRP 34 2HB TRP 34 19.725 -15.673 -0.803 264 HB3 TRP 34 3HB TRP 34 20.311 -16.975 0.214 265 HD1 TRP 34 1HD TRP 34 20.871 -13.114 -0.085 266 HE1 TRP 34 1HE TRP 34 21.276 -12.054 2.298 267 HE3 TRP 34 3HE TRP 34 20.774 -17.512 2.466 268 HZ2 TRP 34 2HZ TRP 34 21.502 -13.150 4.923 269 HZ3 TRP 34 3HZ TRP 34 21.095 -17.428 4.937 270 HH2 TRP 34 2HH TRP 34 21.450 -15.344 6.165 271 H ASN 35 HN ASN 35 20.334 -16.539 -3.264 272 HA ASN 35 HA ASN 35 20.660 -19.363 -3.310 273 HB2 ASN 35 2HB ASN 35 19.394 -17.486 -5.375 274 HB3 ASN 35 3HB ASN 35 19.201 -19.227 -5.338 275 HD21 ASN 35 1HD2 ASN 35 18.459 -16.193 -3.784 276 HD22 ASN 35 2HD2 ASN 35 17.151 -16.735 -2.786 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -26.261 -4.143 -11.448 2 HA2 GLY 1 1HA GLY 1 -26.368 -2.132 -9.289 3 HA3 GLY 1 2HA GLY 1 -26.577 -3.838 -8.950 4 H ILE 2 HN ILE 2 -24.297 -1.290 -9.848 5 HA ILE 2 HA ILE 2 -22.112 -3.092 -10.264 6 HB ILE 2 HB ILE 2 -22.304 -0.096 -9.975 7 HG12 ILE 2 2HG1 ILE 2 -21.427 -0.710 -12.521 8 HG13 ILE 2 3HG1 ILE 2 -22.580 -1.991 -12.203 9 HG21 ILE 2 1HG2 ILE 2 -20.087 0.111 -9.935 10 HG22 ILE 2 2HG2 ILE 2 -20.032 -1.615 -9.502 11 HG23 ILE 2 3HG2 ILE 2 -19.866 -1.118 -11.204 12 HD11 ILE 2 1HD1 ILE 2 -23.963 0.172 -11.219 13 HD12 ILE 2 2HD1 ILE 2 -23.037 0.931 -12.536 14 HD13 ILE 2 3HD1 ILE 2 -24.120 -0.438 -12.883 15 H GLY 3 HN GLY 3 -23.521 -1.206 -7.580 16 HA2 GLY 3 1HA GLY 3 -23.078 -1.187 -5.379 17 HA3 GLY 3 2HA GLY 3 -22.426 -2.800 -5.586 18 H ALA 4 HN ALA 4 -21.546 0.675 -6.188 19 HA ALA 4 HA ALA 4 -18.742 0.008 -6.003 20 HB1 ALA 4 1HB ALA 4 -20.427 2.233 -6.941 21 HB2 ALA 4 2HB ALA 4 -18.975 2.771 -6.064 22 HB3 ALA 4 3HB ALA 4 -18.816 1.714 -7.487 23 H PHE 5 HN PHE 5 -21.327 0.659 -3.856 24 HA PHE 5 HA PHE 5 -20.269 2.324 -1.972 25 HB2 PHE 5 2HB PHE 5 -22.154 -0.017 -2.137 26 HB3 PHE 5 3HB PHE 5 -21.582 0.333 -0.519 27 HD1 PHE 5 1HD PHE 5 -23.789 0.935 0.265 28 HD2 PHE 5 2HD PHE 5 -22.010 3.015 -2.978 29 HE1 PHE 5 1HE PHE 5 -25.512 2.748 0.482 30 HE2 PHE 5 2HE PHE 5 -23.732 4.827 -2.760 31 HZ PHE 5 HZ PHE 5 -25.463 4.673 -1.033 32 H GLY 6 HN GLY 6 -20.127 -1.314 -1.834 33 HA2 GLY 6 1HA GLY 6 -18.398 -1.512 0.311 34 HA3 GLY 6 2HA GLY 6 -18.589 -2.700 -0.963 35 H LEU 7 HN LEU 7 -17.738 -0.822 -3.143 36 HA LEU 7 HA LEU 7 -14.978 -1.374 -3.018 37 HB2 LEU 7 2HB LEU 7 -16.859 -0.745 -4.959 38 HB3 LEU 7 3HB LEU 7 -15.783 0.639 -4.964 39 HG LEU 7 HG LEU 7 -15.075 -0.981 -6.613 40 HD11 LEU 7 1HD1 LEU 7 -13.122 -0.018 -6.069 41 HD12 LEU 7 2HD1 LEU 7 -13.370 -0.253 -4.322 42 HD13 LEU 7 3HD1 LEU 7 -12.754 -1.592 -5.321 43 HD21 LEU 7 1HD2 LEU 7 -14.037 -3.177 -5.380 44 HD22 LEU 7 2HD2 LEU 7 -15.504 -2.893 -4.412 45 HD23 LEU 7 3HD2 LEU 7 -15.628 -3.111 -6.174 46 H LEU 8 HN LEU 8 -17.001 1.326 -1.993 47 HA LEU 8 HA LEU 8 -15.067 3.334 -2.032 48 HB2 LEU 8 2HB LEU 8 -17.697 3.229 -1.544 49 HB3 LEU 8 3HB LEU 8 -17.123 3.296 0.111 50 HG LEU 8 HG LEU 8 -17.633 5.519 -0.612 51 HD11 LEU 8 1HD1 LEU 8 -14.654 5.601 -0.814 52 HD12 LEU 8 2HD1 LEU 8 -15.768 6.578 0.171 53 HD13 LEU 8 3HD1 LEU 8 -15.387 4.908 0.652 54 HD21 LEU 8 1HD2 LEU 8 -16.221 6.515 -2.537 55 HD22 LEU 8 2HD2 LEU 8 -15.983 4.822 -3.031 56 HD23 LEU 8 3HD2 LEU 8 -17.627 5.499 -2.936 57 H GLY 9 HN GLY 9 -15.926 0.847 0.434 58 HA2 GLY 9 1HA GLY 9 -13.999 1.822 2.328 59 HA3 GLY 9 2HA GLY 9 -14.944 0.349 2.418 60 H PHE 10 HN PHE 10 -14.219 -0.892 -0.063 61 HA PHE 10 HA PHE 10 -11.794 -2.077 0.706 62 HB2 PHE 10 2HB PHE 10 -13.608 -3.193 -0.601 63 HB3 PHE 10 3HB PHE 10 -13.457 -2.003 -1.880 64 HD1 PHE 10 1HD PHE 10 -12.646 -3.004 -3.786 65 HD2 PHE 10 2HD PHE 10 -10.950 -4.090 -0.050 66 HE1 PHE 10 1HE PHE 10 -10.994 -4.482 -4.965 67 HE2 PHE 10 2HE PHE 10 -9.300 -5.568 -1.229 68 HZ PHE 10 HZ PHE 10 -9.340 -5.746 -3.672 69 H LEU 11 HN LEU 11 -12.558 0.775 -1.176 70 HA LEU 11 HA LEU 11 -10.337 0.784 -2.878 71 HB2 LEU 11 2HB LEU 11 -12.156 2.172 -3.390 72 HB3 LEU 11 3HB LEU 11 -12.175 2.901 -1.797 73 HG LEU 11 HG LEU 11 -9.670 3.595 -2.692 74 HD11 LEU 11 1HD1 LEU 11 -10.381 2.604 -4.940 75 HD12 LEU 11 2HD1 LEU 11 -11.465 4.009 -5.082 76 HD13 LEU 11 3HD1 LEU 11 -9.707 4.252 -4.944 77 HD21 LEU 11 1HD2 LEU 11 -11.168 5.084 -1.536 78 HD22 LEU 11 2HD2 LEU 11 -10.659 5.844 -3.063 79 HD23 LEU 11 3HD2 LEU 11 -12.278 5.118 -2.928 80 H ALA 12 HN ALA 12 -10.864 2.016 0.471 81 HA ALA 12 HA ALA 12 -8.429 3.322 0.737 82 HB1 ALA 12 1HB ALA 12 -10.668 2.955 2.259 83 HB2 ALA 12 2HB ALA 12 -9.509 1.913 3.119 84 HB3 ALA 12 3HB ALA 12 -9.144 3.637 2.877 85 H ALA 13 HN ALA 13 -9.372 -0.110 1.404 86 HA ALA 13 HA ALA 13 -6.782 -0.830 2.295 87 HB1 ALA 13 1HB ALA 13 -8.133 -2.463 3.060 88 HB2 ALA 13 2HB ALA 13 -9.413 -2.044 1.897 89 HB3 ALA 13 3HB ALA 13 -8.096 -3.141 1.414 90 H GLY 14 HN GLY 14 -8.361 -0.473 -0.845 91 HA2 GLY 14 1HA GLY 14 -6.531 -2.133 -2.294 92 HA3 GLY 14 2HA GLY 14 -7.702 -1.004 -2.946 93 H SER 15 HN SER 15 -6.566 1.197 -1.089 94 HA SER 15 HA SER 15 -4.683 2.120 -2.993 95 HB2 SER 15 2HB SER 15 -4.633 4.162 -1.596 96 HB3 SER 15 3HB SER 15 -6.280 3.658 -1.921 97 HG SER 15 HG SER 15 -5.191 4.115 0.465 98 H LYS 16 HN LYS 16 -4.591 0.324 0.001 99 HA LYS 16 HA LYS 16 -2.011 1.140 0.841 100 HB2 LYS 16 2HB LYS 16 -3.681 -1.298 1.519 101 HB3 LYS 16 3HB LYS 16 -2.185 -0.864 2.320 102 HG2 LYS 16 2HG LYS 16 -4.213 1.326 2.125 103 HG3 LYS 16 3HG LYS 16 -4.663 -0.022 3.148 104 HD2 LYS 16 2HD LYS 16 -2.341 0.218 4.260 105 HD3 LYS 16 3HD LYS 16 -2.185 1.734 3.396 106 HE2 LYS 16 2HE LYS 16 -3.670 2.819 4.769 107 HE3 LYS 16 3HE LYS 16 -4.779 1.464 4.806 108 HZ1 LYS 16 1HZ LYS 16 -2.990 2.185 6.798 109 HZ2 LYS 16 2HZ LYS 16 -3.927 0.853 6.778 110 H LYS 17 HN LYS 17 -3.291 -1.158 -1.522 111 HA LYS 17 HA LYS 17 -1.074 -2.837 -1.701 112 HB2 LYS 17 2HB LYS 17 -3.212 -2.058 -3.699 113 HB3 LYS 17 3HB LYS 17 -1.996 -3.276 -4.026 114 HG2 LYS 17 2HG LYS 17 -2.727 -4.481 -1.905 115 HG3 LYS 17 3HG LYS 17 -4.029 -3.318 -1.747 116 HD2 LYS 17 2HD LYS 17 -4.685 -3.995 -4.183 117 HD3 LYS 17 3HD LYS 17 -3.610 -5.361 -3.964 118 HE2 LYS 17 2HE LYS 17 -5.161 -6.470 -2.728 119 HE3 LYS 17 3HE LYS 17 -5.331 -5.115 -1.629 120 HZ1 LYS 17 1HZ LYS 17 -7.375 -4.941 -2.553 121 HZ2 LYS 17 2HZ LYS 17 -6.647 -4.248 -3.835 122 H21 ACA 18 1HA ACA 18 -0.739 1.929 -9.575 123 H22 ACA 18 2HA ACA 18 -0.963 0.359 -10.318 124 H31 ACA 18 2HB ACA 18 0.443 -0.254 -8.570 125 H32 ACA 18 3HB ACA 18 -1.104 -0.476 -7.778 126 H41 ACA 18 2HG ACA 18 -0.327 2.306 -7.518 127 H42 ACA 18 3HG ACA 18 1.025 1.303 -7.032 128 H51 ACA 18 2HD ACA 18 -1.761 0.663 -6.016 129 H52 ACA 18 3HD ACA 18 -0.838 1.946 -5.262 130 H61 ACA 18 2HE ACA 18 0.485 -0.636 -5.796 131 H62 ACA 18 3HE ACA 18 1.125 0.614 -4.159 132 HN61 ACA 18 HN ACA 18 -1.757 -1.015 -4.647 133 H LYS 19 HN LYS 19 -3.216 1.222 -11.122 134 HA LYS 19 HA LYS 19 -3.586 3.376 -9.244 135 HB2 LYS 19 2HB LYS 19 -3.660 4.564 -11.118 136 HB3 LYS 19 3HB LYS 19 -3.510 3.096 -12.062 137 HG2 LYS 19 2HG LYS 19 -5.979 2.780 -12.003 138 HG3 LYS 19 3HG LYS 19 -6.152 4.211 -11.006 139 HD2 LYS 19 2HD LYS 19 -4.589 4.715 -13.470 140 HD3 LYS 19 3HD LYS 19 -6.214 4.147 -13.803 141 HE2 LYS 19 2HE LYS 19 -6.399 6.084 -11.675 142 HE3 LYS 19 3HE LYS 19 -5.377 6.771 -12.921 143 HZ1 LYS 19 1HZ LYS 19 -7.904 7.044 -13.163 144 HZ2 LYS 19 2HZ LYS 19 -7.091 6.588 -14.498 145 H ASN 20 HN ASN 20 -5.607 0.905 -10.953 146 HA ASN 20 HA ASN 20 -7.267 0.642 -8.730 147 HB2 ASN 20 2HB ASN 20 -8.181 2.472 -10.964 148 HB3 ASN 20 3HB ASN 20 -9.376 1.430 -10.218 149 HD21 ASN 20 1HD2 ASN 20 -8.852 1.308 -7.659 150 HD22 ASN 20 2HD2 ASN 20 -8.855 2.854 -6.879 151 H GLU 21 HN GLU 21 -7.964 -1.496 -8.938 152 HA GLU 21 HA GLU 21 -7.489 -2.875 -11.318 153 HB2 GLU 21 2HB GLU 21 -9.048 -3.642 -8.812 154 HB3 GLU 21 3HB GLU 21 -8.685 -4.766 -10.107 155 HG2 GLU 21 2HG GLU 21 -6.755 -5.187 -8.967 156 HG3 GLU 21 3HG GLU 21 -6.186 -3.671 -9.636 157 HE2 GLU 21 2HE GLU 21 -8.006 -2.368 -6.655 158 H GLN 22 HN GLN 22 -10.406 -1.425 -9.819 159 HA GLN 22 HA GLN 22 -12.252 -2.640 -11.494 160 HB2 GLN 22 2HB GLN 22 -12.664 -1.347 -9.316 161 HB3 GLN 22 3HB GLN 22 -12.513 0.128 -10.251 162 HG2 GLN 22 2HG GLN 22 -14.353 -1.874 -11.456 163 HG3 GLN 22 3HG GLN 22 -14.869 -1.293 -9.886 164 HE21 GLN 22 1HE2 GLN 22 -15.595 -0.862 -12.858 165 HE22 GLN 22 2HE2 GLN 22 -15.806 0.852 -13.006 166 H GLU 23 HN GLU 23 -10.434 0.475 -11.741 167 HA GLU 23 HA GLU 23 -11.705 1.436 -13.972 168 HB2 GLU 23 2HB GLU 23 -8.911 1.796 -12.851 169 HB3 GLU 23 3HB GLU 23 -9.370 2.586 -14.347 170 HG2 GLU 23 2HG GLU 23 -11.214 2.834 -11.965 171 HG3 GLU 23 3HG GLU 23 -9.742 3.783 -11.982 172 HE2 GLU 23 2HE GLU 23 -9.473 5.061 -14.018 173 H LEU 24 HN LEU 24 -9.184 -1.056 -13.611 174 HA LEU 24 HA LEU 24 -8.521 -1.101 -16.384 175 HB2 LEU 24 2HB LEU 24 -7.890 -2.794 -13.990 176 HB3 LEU 24 3HB LEU 24 -7.498 -3.362 -15.600 177 HG LEU 24 HG LEU 24 -5.814 -1.850 -15.896 178 HD11 LEU 24 1HD1 LEU 24 -7.053 0.177 -15.809 179 HD12 LEU 24 2HD1 LEU 24 -7.311 0.025 -14.053 180 HD13 LEU 24 3HD1 LEU 24 -5.681 0.356 -14.688 181 HD21 LEU 24 1HD2 LEU 24 -4.583 -2.680 -14.246 182 HD22 LEU 24 2HD2 LEU 24 -5.109 -1.311 -13.238 183 HD23 LEU 24 3HD2 LEU 24 -6.005 -2.848 -13.188 184 H LEU 25 HN LEU 25 -10.882 -2.689 -14.240 185 HA LEU 25 HA LEU 25 -11.560 -4.793 -15.942 186 HB2 LEU 25 2HB LEU 25 -12.167 -4.810 -13.637 187 HB3 LEU 25 3HB LEU 25 -13.077 -3.321 -13.793 188 HG LEU 25 HG LEU 25 -14.339 -4.955 -15.621 189 HD11 LEU 25 1HD1 LEU 25 -13.779 -6.686 -13.203 190 HD12 LEU 25 2HD1 LEU 25 -14.697 -7.106 -14.669 191 HD13 LEU 25 3HD1 LEU 25 -12.937 -6.859 -14.762 192 HD21 LEU 25 1HD2 LEU 25 -15.316 -3.401 -13.920 193 HD22 LEU 25 2HD2 LEU 25 -16.182 -4.946 -14.098 194 HD23 LEU 25 3HD2 LEU 25 -15.106 -4.683 -12.705 195 H GLU 26 HN GLU 26 -12.335 -1.336 -15.967 196 HA GLU 26 HA GLU 26 -14.559 -1.582 -17.659 197 HB2 GLU 26 2HB GLU 26 -14.713 0.679 -17.397 198 HB3 GLU 26 3HB GLU 26 -13.500 0.436 -16.155 199 HG2 GLU 26 2HG GLU 26 -11.699 0.838 -17.875 200 HG3 GLU 26 3HG GLU 26 -12.940 1.152 -19.072 201 HE2 GLU 26 2HE GLU 26 -13.759 2.869 -15.944 202 H LEU 27 HN LEU 27 -11.032 -1.303 -18.149 203 HA LEU 27 HA LEU 27 -11.288 -0.814 -20.959 204 HB2 LEU 27 2HB LEU 27 -9.345 -0.415 -19.061 205 HB3 LEU 27 3HB LEU 27 -8.723 -1.801 -19.935 206 HG LEU 27 HG LEU 27 -7.831 0.267 -20.842 207 HD11 LEU 27 1HD1 LEU 27 -9.475 -0.253 -23.152 208 HD12 LEU 27 2HD1 LEU 27 -7.773 -0.676 -22.848 209 HD13 LEU 27 3HD1 LEU 27 -9.072 -1.776 -22.325 210 HD21 LEU 27 1HD2 LEU 27 -10.317 1.246 -22.056 211 HD22 LEU 27 2HD2 LEU 27 -10.279 1.373 -20.282 212 HD23 LEU 27 3HD2 LEU 27 -8.996 2.130 -21.254 213 H ASP 28 HN ASP 28 -11.108 -3.596 -18.784 214 HA ASP 28 HA ASP 28 -10.225 -5.439 -20.663 215 HB2 ASP 28 2HB ASP 28 -10.496 -5.631 -18.071 216 HB3 ASP 28 3HB ASP 28 -12.167 -6.047 -18.398 217 HD2 ASP 28 2HD ASP 28 -9.264 -8.665 -18.760 218 H LYS 29 HN LYS 29 -13.542 -4.590 -19.403 219 HA LYS 29 HA LYS 29 -14.961 -6.314 -21.054 220 HB2 LYS 29 2HB LYS 29 -16.896 -4.881 -20.491 221 HB3 LYS 29 3HB LYS 29 -15.951 -5.337 -19.089 222 HG2 LYS 29 2HG LYS 29 -15.029 -3.174 -18.830 223 HG3 LYS 29 3HG LYS 29 -15.305 -2.742 -20.505 224 HD2 LYS 29 2HD LYS 29 -16.997 -1.534 -19.396 225 HD3 LYS 29 3HD LYS 29 -17.855 -2.966 -19.931 226 HE2 LYS 29 2HE LYS 29 -17.663 -3.999 -17.721 227 HE3 LYS 29 3HE LYS 29 -16.581 -2.737 -17.166 228 HZ1 LYS 29 1HZ LYS 29 -19.373 -2.208 -18.029 229 HZ2 LYS 29 2HZ LYS 29 -18.939 -2.417 -16.474 230 H TRP 30 HN TRP 30 -13.620 -3.045 -21.596 231 HA TRP 30 HA TRP 30 -15.025 -2.504 -23.959 232 HB2 TRP 30 2HB TRP 30 -13.912 -0.782 -22.674 233 HB3 TRP 30 3HB TRP 30 -12.349 -1.523 -22.955 234 HD1 TRP 30 1HD TRP 30 -14.963 0.656 -24.724 235 HE1 TRP 30 1HE TRP 30 -14.015 1.683 -26.962 236 HE3 TRP 30 3HE TRP 30 -10.666 -2.062 -24.766 237 HZ2 TRP 30 2HZ TRP 30 -11.627 1.252 -28.466 238 HZ3 TRP 30 3HZ TRP 30 -9.080 -1.699 -26.654 239 HH2 TRP 30 2HH TRP 30 -9.504 -0.108 -28.462 240 H ALA 31 HN ALA 31 -11.559 -3.537 -23.507 241 HA ALA 31 HA ALA 31 -11.083 -4.155 -26.146 242 HB1 ALA 31 1HB ALA 31 -9.685 -4.181 -23.766 243 HB2 ALA 31 2HB ALA 31 -9.763 -5.912 -24.173 244 HB3 ALA 31 3HB ALA 31 -9.057 -4.757 -25.328 245 H SER 32 HN SER 32 -12.901 -5.901 -23.662 246 HA SER 32 HA SER 32 -12.760 -8.439 -24.607 247 HB2 SER 32 2HB SER 32 -14.493 -8.862 -23.157 248 HB3 SER 32 3HB SER 32 -14.108 -7.246 -22.604 249 HG SER 32 HG SER 32 -16.439 -8.134 -23.632 250 H LEU 33 HN LEU 33 -14.542 -5.625 -25.881 251 HA LEU 33 HA LEU 33 -16.378 -6.882 -27.495 252 HB2 LEU 33 2HB LEU 33 -16.495 -4.840 -28.705 253 HB3 LEU 33 3HB LEU 33 -16.276 -4.479 -27.004 254 HG LEU 33 HG LEU 33 -13.696 -4.397 -27.791 255 HD11 LEU 33 1HD1 LEU 33 -13.404 -3.463 -29.950 256 HD12 LEU 33 2HD1 LEU 33 -14.412 -4.915 -30.157 257 HD13 LEU 33 3HD1 LEU 33 -15.158 -3.299 -30.199 258 HD21 LEU 33 1HD2 LEU 33 -15.127 -1.888 -28.388 259 HD22 LEU 33 2HD2 LEU 33 -15.520 -2.630 -26.817 260 HD23 LEU 33 3HD2 LEU 33 -13.831 -2.230 -27.217 261 H TRP 34 HN TRP 34 -12.862 -6.412 -27.917 262 HA TRP 34 HA TRP 34 -12.833 -7.182 -30.643 263 HB2 TRP 34 2HB TRP 34 -10.703 -7.011 -28.513 264 HB3 TRP 34 3HB TRP 34 -10.366 -7.517 -30.156 265 HD1 TRP 34 1HD TRP 34 -11.632 -4.372 -28.254 266 HE1 TRP 34 1HE TRP 34 -11.143 -2.180 -29.639 267 HE3 TRP 34 3HE TRP 34 -9.896 -6.749 -32.400 268 HZ2 TRP 34 2HZ TRP 34 -10.108 -1.697 -32.254 269 HZ3 TRP 34 3HZ TRP 34 -9.166 -5.343 -34.325 270 HH2 TRP 34 2HH TRP 34 -9.251 -2.901 -34.297 271 H ASN 35 HN ASN 35 -11.998 -8.865 -27.524 272 HA ASN 35 HA ASN 35 -11.846 -11.352 -28.910 273 HB2 ASN 35 2HB ASN 35 -11.816 -10.756 -25.903 274 HB3 ASN 35 3HB ASN 35 -11.353 -12.278 -26.638 275 HD21 ASN 35 1HD2 ASN 35 -10.410 -9.127 -25.764 276 HD22 ASN 35 2HD2 ASN 35 -8.791 -9.131 -26.381
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