NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
474290 | 2klz | 16405 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -23.274 5.250 1.941 2 H2 GLY 1 HT2 GLY 1 -24.525 4.213 2.423 3 H3 GLY 1 HT3 GLY 1 -24.088 4.310 0.790 4 HA2 GLY 1 HA1 GLY 1 -22.356 3.290 2.972 5 HA3 GLY 1 HA2 GLY 1 -23.251 2.284 1.839 6 H SER 2 HN SER 2 -21.309 5.244 1.438 7 HA SER 2 HA SER 2 -20.082 4.170 -0.932 8 HB2 SER 2 HB2 SER 2 -20.643 6.582 -0.698 9 HB3 SER 2 HB1 SER 2 -19.431 6.716 0.574 10 HG SER 2 HG SER 2 -18.441 7.339 -1.310 11 H LEU 3 HN LEU 3 -18.721 2.538 -0.595 12 HA LEU 3 HA LEU 3 -16.917 2.464 1.652 13 HB2 LEU 3 HB2 LEU 3 -17.015 0.734 -0.823 14 HB3 LEU 3 HB1 LEU 3 -16.094 0.393 0.629 15 HG LEU 3 HG LEU 3 -19.107 0.517 0.472 16 HD11 LEU 3 HD11 LEU 3 -19.002 -1.906 0.785 17 HD12 LEU 3 HD12 LEU 3 -17.241 -1.840 0.686 18 HD13 LEU 3 HD13 LEU 3 -18.222 -1.407 -0.715 19 HD21 LEU 3 HD21 LEU 3 -19.024 -0.413 2.735 20 HD22 LEU 3 HD22 LEU 3 -18.262 1.176 2.655 21 HD23 LEU 3 HD23 LEU 3 -17.264 -0.279 2.723 22 H ASP 4 HN ASP 4 -16.858 3.350 -1.687 23 HA ASP 4 HA ASP 4 -14.113 3.446 -2.198 24 HB2 ASP 4 HB2 ASP 4 -16.303 5.242 -3.268 25 HB3 ASP 4 HB1 ASP 4 -14.703 5.051 -3.979 26 H GLU 5 HN GLU 5 -16.264 5.731 -0.627 27 HA GLU 5 HA GLU 5 -14.714 8.000 -0.498 28 HB2 GLU 5 HB2 GLU 5 -17.028 7.774 0.383 29 HB3 GLU 5 HB1 GLU 5 -16.392 6.867 1.747 30 HG2 GLU 5 HG2 GLU 5 -16.843 9.180 2.338 31 HG3 GLU 5 HG1 GLU 5 -15.125 8.803 2.471 32 H ASP 6 HN ASP 6 -14.700 5.305 1.827 33 HA ASP 6 HA ASP 6 -12.512 6.340 3.327 34 HB2 ASP 6 HB2 ASP 6 -13.690 3.555 3.210 35 HB3 ASP 6 HB1 ASP 6 -12.450 4.054 4.354 36 H GLU 7 HN GLU 7 -12.834 4.204 0.598 37 HA GLU 7 HA GLU 7 -10.197 3.169 0.650 38 HB2 GLU 7 HB2 GLU 7 -12.362 3.263 -1.429 39 HB3 GLU 7 HB1 GLU 7 -10.749 2.676 -1.831 40 HG2 GLU 7 HG2 GLU 7 -10.890 0.971 -0.152 41 HG3 GLU 7 HG1 GLU 7 -12.431 1.602 0.415 42 H GLU 8 HN GLU 8 -11.633 6.034 -0.785 43 HA GLU 8 HA GLU 8 -9.532 6.905 -2.383 44 HB2 GLU 8 HB2 GLU 8 -11.520 8.417 -0.700 45 HB3 GLU 8 HB1 GLU 8 -10.332 9.241 -1.699 46 HG2 GLU 8 HG2 GLU 8 -12.346 7.263 -2.745 47 HG3 GLU 8 HG1 GLU 8 -12.565 9.013 -2.749 48 H ASP 9 HN ASP 9 -10.088 7.469 1.075 49 HA ASP 9 HA ASP 9 -7.603 8.848 1.415 50 HB2 ASP 9 HB2 ASP 9 -9.584 9.259 2.861 51 HB3 ASP 9 HB1 ASP 9 -9.392 7.643 3.537 52 H LEU 10 HN LEU 10 -8.666 5.544 1.677 53 HA LEU 10 HA LEU 10 -6.478 4.525 3.149 54 HB2 LEU 10 HB2 LEU 10 -8.702 3.392 2.666 55 HB3 LEU 10 HB1 LEU 10 -8.082 3.034 1.069 56 HG LEU 10 HG LEU 10 -7.978 1.166 2.788 57 HD11 LEU 10 HD11 LEU 10 -5.779 0.387 2.053 58 HD12 LEU 10 HD12 LEU 10 -5.411 2.005 1.453 59 HD13 LEU 10 HD13 LEU 10 -6.713 1.068 0.719 60 HD21 LEU 10 HD21 LEU 10 -6.242 1.192 4.419 61 HD22 LEU 10 HD22 LEU 10 -7.205 2.658 4.628 62 HD23 LEU 10 HD23 LEU 10 -5.634 2.739 3.831 63 H GLN 11 HN GLN 11 -7.088 4.672 -0.375 64 HA GLN 11 HA GLN 11 -4.475 3.701 -0.998 65 HB2 GLN 11 HB2 GLN 11 -4.970 4.243 -3.300 66 HB3 GLN 11 HB1 GLN 11 -6.357 3.455 -2.567 67 HG2 GLN 11 HG2 GLN 11 -7.425 5.658 -2.291 68 HG3 GLN 11 HG1 GLN 11 -6.046 6.399 -3.105 69 HE21 GLN 11 HE21 GLN 11 -7.267 7.169 -4.814 70 HE22 GLN 11 HE22 GLN 11 -7.962 6.126 -6.011 71 H ARG 12 HN ARG 12 -5.819 6.798 -0.294 72 HA ARG 12 HA ARG 12 -3.705 8.444 -1.151 73 HB2 ARG 12 HB2 ARG 12 -5.893 9.291 -0.372 74 HB3 ARG 12 HB1 ARG 12 -5.532 8.733 1.251 75 HG2 ARG 12 HG2 ARG 12 -3.796 10.758 -0.121 76 HG3 ARG 12 HG1 ARG 12 -5.272 11.223 0.724 77 HD2 ARG 12 HD2 ARG 12 -2.817 9.901 1.867 78 HD3 ARG 12 HD1 ARG 12 -3.466 11.497 2.247 79 HE ARG 12 HE ARG 12 -5.355 9.441 2.833 80 HH11 ARG 12 HH11 ARG 12 -2.592 11.172 4.066 81 HH12 ARG 12 HH12 ARG 12 -2.832 10.663 5.712 82 HH21 ARG 12 HH21 ARG 12 -5.727 8.802 5.012 83 HH22 ARG 12 HH22 ARG 12 -4.604 9.307 6.240 84 H ALA 13 HN ALA 13 -4.295 6.871 1.987 85 HA ALA 13 HA ALA 13 -1.901 7.500 3.236 86 HB1 ALA 13 HB1 ALA 13 -2.328 5.516 4.643 87 HB2 ALA 13 HB2 ALA 13 -3.606 5.030 3.527 88 HB3 ALA 13 HB3 ALA 13 -3.755 6.530 4.438 89 H LEU 14 HN LEU 14 -2.681 4.798 1.078 90 HA LEU 14 HA LEU 14 -0.220 3.463 1.245 91 HB2 LEU 14 HB2 LEU 14 -2.172 3.642 -1.048 92 HB3 LEU 14 HB1 LEU 14 -0.806 2.539 -1.000 93 HG LEU 14 HG LEU 14 -3.124 2.528 0.938 94 HD11 LEU 14 HD11 LEU 14 -3.727 0.419 -0.170 95 HD12 LEU 14 HD12 LEU 14 -2.438 0.681 -1.345 96 HD13 LEU 14 HD13 LEU 14 -3.805 1.794 -1.274 97 HD21 LEU 14 HD21 LEU 14 -2.162 0.426 1.730 98 HD22 LEU 14 HD22 LEU 14 -1.036 1.766 1.955 99 HD23 LEU 14 HD23 LEU 14 -0.801 0.628 0.627 100 H ALA 15 HN ALA 15 -1.330 5.880 -1.130 101 HA ALA 15 HA ALA 15 1.102 6.097 -2.532 102 HB1 ALA 15 HB1 ALA 15 0.206 8.181 -3.416 103 HB2 ALA 15 HB2 ALA 15 -1.036 8.196 -2.164 104 HB3 ALA 15 HB3 ALA 15 -1.037 6.931 -3.396 105 H LEU 16 HN LEU 16 -0.132 7.687 0.327 106 HA LEU 16 HA LEU 16 1.806 9.654 0.680 107 HB2 LEU 16 HB2 LEU 16 -0.363 9.335 1.916 108 HB3 LEU 16 HB1 LEU 16 0.415 8.066 2.837 109 HG LEU 16 HG LEU 16 1.631 10.797 2.825 110 HD11 LEU 16 HD11 LEU 16 0.142 11.086 4.938 111 HD12 LEU 16 HD12 LEU 16 -0.923 9.934 4.110 112 HD13 LEU 16 HD13 LEU 16 -0.509 11.470 3.343 113 HD21 LEU 16 HD21 LEU 16 2.310 10.155 5.058 114 HD22 LEU 16 HD22 LEU 16 2.769 8.889 3.916 115 HD23 LEU 16 HD23 LEU 16 1.358 8.675 4.952 116 H SER 17 HN SER 17 1.680 6.332 1.972 117 HA SER 17 HA SER 17 4.256 6.416 3.143 118 HB2 SER 17 HB2 SER 17 2.605 4.025 2.294 119 HB3 SER 17 HB1 SER 17 4.010 3.974 3.362 120 HG SER 17 HG SER 17 2.775 5.538 4.685 121 H ARG 18 HN ARG 18 3.142 5.756 -0.081 122 HA ARG 18 HA ARG 18 5.376 4.406 -1.110 123 HB2 ARG 18 HB2 ARG 18 3.375 6.255 -2.382 124 HB3 ARG 18 HB1 ARG 18 4.706 5.574 -3.304 125 HG2 ARG 18 HG2 ARG 18 3.916 3.323 -2.749 126 HG3 ARG 18 HG1 ARG 18 2.558 4.031 -1.874 127 HD2 ARG 18 HD2 ARG 18 1.937 3.330 -4.146 128 HD3 ARG 18 HD1 ARG 18 1.744 5.067 -3.901 129 HE ARG 18 HE ARG 18 4.076 5.153 -5.012 130 HH11 ARG 18 HH11 ARG 18 1.501 2.912 -5.821 131 HH12 ARG 18 HH12 ARG 18 2.030 2.700 -7.470 132 HH21 ARG 18 HH21 ARG 18 4.752 4.896 -7.175 133 HH22 ARG 18 HH22 ARG 18 3.874 3.849 -8.250 134 H GLN 19 HN GLN 19 4.677 7.886 -0.877 135 HA GLN 19 HA GLN 19 7.295 8.541 -1.893 136 HB2 GLN 19 HB2 GLN 19 6.625 10.912 -1.386 137 HB3 GLN 19 HB1 GLN 19 5.594 10.064 -2.524 138 HG2 GLN 19 HG2 GLN 19 3.949 10.940 -1.290 139 HG3 GLN 19 HG1 GLN 19 4.278 9.575 -0.227 140 HE21 GLN 19 HE21 GLN 19 3.192 12.237 0.328 141 HE22 GLN 19 HE22 GLN 19 4.221 12.913 1.552 142 H GLU 20 HN GLU 20 5.867 8.059 1.238 143 HA GLU 20 HA GLU 20 7.793 9.300 2.851 144 HB2 GLU 20 HB2 GLU 20 6.186 6.783 3.259 145 HB3 GLU 20 HB1 GLU 20 7.277 7.410 4.486 146 HG2 GLU 20 HG2 GLU 20 5.952 9.552 4.386 147 HG3 GLU 20 HG1 GLU 20 4.774 8.669 3.411 148 H ILE 21 HN ILE 21 7.680 5.952 1.665 149 HA ILE 21 HA ILE 21 10.378 5.458 2.531 150 HB ILE 21 HB ILE 21 8.347 3.799 1.054 151 HG12 ILE 21 HG12 ILE 21 8.783 2.266 3.025 152 HG13 ILE 21 HG11 ILE 21 9.747 3.561 3.718 153 HG21 ILE 21 HG21 ILE 21 10.000 1.928 1.110 154 HG22 ILE 21 HG22 ILE 21 11.243 3.119 1.495 155 HG23 ILE 21 HG23 ILE 21 10.376 3.213 -0.037 156 HD11 ILE 21 HD11 ILE 21 6.815 3.705 3.062 157 HD12 ILE 21 HD12 ILE 21 7.785 5.004 3.751 158 HD13 ILE 21 HD13 ILE 21 7.522 3.521 4.669 159 H ASP 22 HN ASP 22 8.929 4.991 -0.675 160 HA ASP 22 HA ASP 22 9.996 4.771 -2.700 161 HB2 ASP 22 HB2 ASP 22 9.232 7.245 -2.278 162 HB3 ASP 22 HB1 ASP 22 10.961 7.573 -2.263 163 H MET 23 HN MET 23 11.589 3.327 -1.448 164 HA MET 23 HA MET 23 14.303 4.250 -1.974 165 HB2 MET 23 HB2 MET 23 13.582 4.698 0.469 166 HB3 MET 23 HB1 MET 23 13.637 2.952 0.664 167 HG2 MET 23 HG2 MET 23 15.687 3.921 1.439 168 HG3 MET 23 HG1 MET 23 15.998 2.976 -0.017 169 HE1 MET 23 HE1 MET 23 15.435 6.580 1.421 170 HE2 MET 23 HE2 MET 23 14.294 6.516 0.077 171 HE3 MET 23 HE3 MET 23 15.697 7.581 -0.008 172 H GLU 24 HN GLU 24 15.292 2.696 -3.096 173 HA GLU 24 HA GLU 24 13.885 0.153 -3.344 174 HB2 GLU 24 HB2 GLU 24 16.172 1.175 -5.016 175 HB3 GLU 24 HB1 GLU 24 15.051 -0.118 -5.417 176 HG2 GLU 24 HG2 GLU 24 14.372 2.803 -5.156 177 HG3 GLU 24 HG1 GLU 24 14.557 1.909 -6.661 178 H ASP 25 HN ASP 25 15.053 -0.077 -0.992 179 HA ASP 25 HA ASP 25 17.122 -2.052 -1.597 180 HB2 ASP 25 HB2 ASP 25 18.336 -1.363 0.556 181 HB3 ASP 25 HB1 ASP 25 18.544 -0.345 -0.862 182 H GLU 26 HN GLU 26 16.497 -1.261 1.720 183 HA GLU 26 HA GLU 26 15.312 -3.898 2.118 184 HB2 GLU 26 HB2 GLU 26 17.145 -2.702 3.564 185 HB3 GLU 26 HB1 GLU 26 15.784 -1.854 4.278 186 HG2 GLU 26 HG2 GLU 26 15.931 -4.843 4.170 187 HG3 GLU 26 HG1 GLU 26 16.651 -3.911 5.479 188 H GLU 27 HN GLU 27 14.587 -0.495 2.542 189 HA GLU 27 HA GLU 27 11.948 -0.704 3.444 190 HB2 GLU 27 HB2 GLU 27 13.278 1.434 1.777 191 HB3 GLU 27 HB1 GLU 27 11.690 1.599 2.517 192 HG2 GLU 27 HG2 GLU 27 12.704 1.276 4.725 193 HG3 GLU 27 HG1 GLU 27 14.290 1.178 3.961 194 H ALA 28 HN ALA 28 13.348 -1.234 0.345 195 HA ALA 28 HA ALA 28 11.166 -0.926 -1.357 196 HB1 ALA 28 HB1 ALA 28 13.271 -3.067 -1.581 197 HB2 ALA 28 HB2 ALA 28 13.518 -1.384 -2.034 198 HB3 ALA 28 HB3 ALA 28 12.315 -2.356 -2.883 199 H ASP 29 HN ASP 29 11.805 -3.366 1.035 200 HA ASP 29 HA ASP 29 9.928 -5.288 0.076 201 HB2 ASP 29 HB2 ASP 29 11.678 -5.856 1.745 202 HB3 ASP 29 HB1 ASP 29 10.851 -4.843 2.928 203 H LEU 30 HN LEU 30 9.759 -2.648 2.423 204 HA LEU 30 HA LEU 30 7.016 -2.908 3.046 205 HB2 LEU 30 HB2 LEU 30 8.823 -0.482 3.107 206 HB3 LEU 30 HB1 LEU 30 7.180 -0.485 3.714 207 HG LEU 30 HG LEU 30 7.917 -2.334 5.305 208 HD11 LEU 30 HD11 LEU 30 10.651 -1.341 4.525 209 HD12 LEU 30 HD12 LEU 30 9.993 -2.932 4.142 210 HD13 LEU 30 HD13 LEU 30 10.276 -2.476 5.823 211 HD21 LEU 30 HD21 LEU 30 7.510 -0.011 5.976 212 HD22 LEU 30 HD22 LEU 30 9.188 0.384 5.600 213 HD23 LEU 30 HD23 LEU 30 8.819 -0.749 6.901 214 H ARG 31 HN ARG 31 8.778 -1.088 0.610 215 HA ARG 31 HA ARG 31 6.697 0.227 -0.683 216 HB2 ARG 31 HB2 ARG 31 9.003 0.636 -1.250 217 HB3 ARG 31 HB1 ARG 31 9.229 -1.031 -1.754 218 HG2 ARG 31 HG2 ARG 31 8.937 -0.242 -3.810 219 HG3 ARG 31 HG1 ARG 31 7.220 -0.188 -3.405 220 HD2 ARG 31 HD2 ARG 31 7.206 2.064 -3.203 221 HD3 ARG 31 HD1 ARG 31 8.838 2.124 -2.547 222 HE ARG 31 HE ARG 31 9.056 1.372 -5.216 223 HH11 ARG 31 HH11 ARG 31 7.906 4.162 -3.433 224 HH12 ARG 31 HH12 ARG 31 8.465 5.312 -4.611 225 HH21 ARG 31 HH21 ARG 31 9.785 2.864 -6.771 226 HH22 ARG 31 HH22 ARG 31 9.531 4.570 -6.519 227 H ARG 32 HN ARG 32 7.924 -3.062 -1.147 228 HA ARG 32 HA ARG 32 6.135 -3.779 -3.214 229 HB2 ARG 32 HB2 ARG 32 8.325 -4.907 -2.516 230 HB3 ARG 32 HB1 ARG 32 7.379 -5.717 -1.277 231 HG2 ARG 32 HG2 ARG 32 5.946 -6.676 -3.023 232 HG3 ARG 32 HG1 ARG 32 6.939 -5.886 -4.250 233 HD2 ARG 32 HD2 ARG 32 8.910 -7.127 -3.301 234 HD3 ARG 32 HD1 ARG 32 7.766 -8.049 -2.325 235 HE ARG 32 HE ARG 32 7.407 -7.996 -5.231 236 HH11 ARG 32 HH11 ARG 32 8.341 -9.779 -2.359 237 HH12 ARG 32 HH12 ARG 32 8.259 -11.330 -3.136 238 HH21 ARG 32 HH21 ARG 32 7.306 -10.030 -6.266 239 HH22 ARG 32 HH22 ARG 32 7.670 -11.474 -5.362 240 H ALA 33 HN ALA 33 5.906 -3.764 0.266 241 HA ALA 33 HA ALA 33 3.610 -5.415 0.504 242 HB1 ALA 33 HB1 ALA 33 3.419 -4.493 2.764 243 HB2 ALA 33 HB2 ALA 33 4.624 -3.268 2.368 244 HB3 ALA 33 HB3 ALA 33 5.076 -4.972 2.401 245 H ILE 34 HN ILE 34 4.070 -1.956 -0.032 246 HA ILE 34 HA ILE 34 1.337 -1.233 0.224 247 HB ILE 34 HB ILE 34 3.732 0.068 -1.017 248 HG12 ILE 34 HG12 ILE 34 2.922 1.976 0.424 249 HG13 ILE 34 HG11 ILE 34 1.660 0.906 1.019 250 HG21 ILE 34 HG21 ILE 34 2.372 1.920 -1.876 251 HG22 ILE 34 HG22 ILE 34 0.908 1.008 -1.510 252 HG23 ILE 34 HG23 ILE 34 2.041 0.410 -2.722 253 HD11 ILE 34 HD11 ILE 34 4.628 0.579 1.364 254 HD12 ILE 34 HD12 ILE 34 3.431 -0.621 1.845 255 HD13 ILE 34 HD13 ILE 34 3.440 0.971 2.607 256 H GLN 35 HN GLN 35 3.374 -2.223 -2.478 257 HA GLN 35 HA GLN 35 1.449 -2.071 -4.516 258 HB2 GLN 35 HB2 GLN 35 3.860 -2.406 -4.936 259 HB3 GLN 35 HB1 GLN 35 3.751 -4.023 -4.254 260 HG2 GLN 35 HG2 GLN 35 2.154 -4.628 -6.039 261 HG3 GLN 35 HG1 GLN 35 2.383 -3.029 -6.743 262 HE21 GLN 35 HE21 GLN 35 5.230 -2.995 -6.033 263 HE22 GLN 35 HE22 GLN 35 6.011 -4.047 -7.160 264 H LEU 36 HN LEU 36 2.308 -4.687 -2.301 265 HA LEU 36 HA LEU 36 0.598 -6.667 -3.262 266 HB2 LEU 36 HB2 LEU 36 2.392 -7.158 -1.741 267 HB3 LEU 36 HB1 LEU 36 1.736 -6.089 -0.525 268 HG LEU 36 HG LEU 36 1.540 -8.598 -0.141 269 HD11 LEU 36 HD11 LEU 36 -1.031 -8.172 0.476 270 HD12 LEU 36 HD12 LEU 36 -0.494 -6.505 0.199 271 HD13 LEU 36 HD13 LEU 36 0.321 -7.516 1.399 272 HD21 LEU 36 HD21 LEU 36 0.789 -9.200 -2.390 273 HD22 LEU 36 HD22 LEU 36 -0.704 -8.294 -2.131 274 HD23 LEU 36 HD23 LEU 36 -0.354 -9.721 -1.153 275 H SER 37 HN SER 37 0.091 -4.207 -0.760 276 HA SER 37 HA SER 37 -2.546 -4.884 -0.117 277 HB2 SER 37 HB2 SER 37 -1.238 -2.158 0.001 278 HB3 SER 37 HB1 SER 37 -2.673 -2.664 0.894 279 HG SER 37 HG SER 37 -0.019 -3.646 1.167 280 H MET 38 HN MET 38 -1.229 -2.754 -2.615 281 HA MET 38 HA MET 38 -3.690 -1.677 -3.466 282 HB2 MET 38 HB2 MET 38 -1.394 -0.764 -3.950 283 HB3 MET 38 HB1 MET 38 -1.198 -2.056 -5.127 284 HG2 MET 38 HG2 MET 38 -3.090 -1.222 -6.394 285 HG3 MET 38 HG1 MET 38 -3.348 0.031 -5.183 286 HE1 MET 38 HE1 MET 38 -2.051 2.068 -8.264 287 HE2 MET 38 HE2 MET 38 -3.362 1.852 -7.102 288 HE3 MET 38 HE3 MET 38 -3.058 0.623 -8.330 289 H GLN 39 HN GLN 39 -2.063 -4.681 -4.105 290 HA GLN 39 HA GLN 39 -3.579 -5.392 -6.418 291 HB2 GLN 39 HB2 GLN 39 -2.074 -7.141 -4.474 292 HB3 GLN 39 HB1 GLN 39 -2.716 -7.670 -6.020 293 HG2 GLN 39 HG2 GLN 39 -1.232 -6.087 -7.163 294 HG3 GLN 39 HG1 GLN 39 -0.573 -5.596 -5.603 295 HE21 GLN 39 HE21 GLN 39 -0.701 -8.068 -8.019 296 HE22 GLN 39 HE22 GLN 39 0.602 -9.037 -7.403 297 H GLY 40 HN GLY 40 -4.487 -4.969 -3.283 298 HA2 GLY 40 HA2 GLY 40 -6.506 -5.343 -2.251 299 HA3 GLY 40 HA1 GLY 40 -7.061 -6.111 -3.730 300 H SER 41 HN SER 41 -4.167 -7.229 -2.187 301 HA SER 41 HA SER 41 -5.538 -9.759 -1.656 302 HB2 SER 41 HB2 SER 41 -2.573 -9.192 -1.876 303 HB3 SER 41 HB1 SER 41 -3.323 -10.783 -1.744 304 HG SER 41 HG SER 41 -4.379 -9.298 -3.775 305 H SER 42 HN SER 42 -6.195 -10.038 0.337 306 HA SER 42 HA SER 42 -4.563 -9.036 2.566 307 HB2 SER 42 HB2 SER 42 -7.398 -10.114 2.607 308 HB3 SER 42 HB1 SER 42 -6.559 -9.310 3.936 309 HG SER 42 HG SER 42 -6.532 -7.798 1.687 310 H ARG 43 HN ARG 43 -5.835 -11.044 4.391 311 HA ARG 43 HA ARG 43 -3.986 -13.187 3.926 312 HB2 ARG 43 HB2 ARG 43 -5.038 -14.191 5.975 313 HB3 ARG 43 HB1 ARG 43 -4.351 -12.591 6.192 314 HG2 ARG 43 HG2 ARG 43 -6.322 -12.402 7.335 315 HG3 ARG 43 HG1 ARG 43 -6.783 -11.781 5.751 316 HD2 ARG 43 HD2 ARG 43 -7.666 -14.028 5.180 317 HD3 ARG 43 HD1 ARG 43 -7.300 -14.555 6.823 318 HE ARG 43 HE ARG 43 -9.222 -12.411 6.166 319 HH11 ARG 43 HH11 ARG 43 -8.212 -15.151 8.103 320 HH12 ARG 43 HH12 ARG 43 -9.590 -15.091 9.152 321 HH21 ARG 43 HH21 ARG 43 -11.053 -12.335 7.515 322 HH22 ARG 43 HH22 ARG 43 -11.226 -13.487 8.813 323 H ASN 44 HN ASN 44 -6.571 -12.606 2.229 324 HA ASN 44 HA ASN 44 -7.896 -15.176 2.333 325 HB2 ASN 44 HB2 ASN 44 -8.219 -12.897 0.362 326 HB3 ASN 44 HB1 ASN 44 -9.248 -14.321 0.452 327 HD21 ASN 44 HD21 ASN 44 -9.957 -11.526 0.701 328 HD22 ASN 44 HD22 ASN 44 -10.690 -11.343 2.261 329 H LEU 45 HN LEU 45 -5.882 -16.365 1.935 330 HA LEU 45 HA LEU 45 -4.859 -16.214 -0.797 331 HB2 LEU 45 HB2 LEU 45 -3.973 -17.895 1.549 332 HB3 LEU 45 HB1 LEU 45 -3.180 -17.849 -0.014 333 HG LEU 45 HG LEU 45 -3.411 -15.531 1.913 334 HD11 LEU 45 HD11 LEU 45 -0.974 -15.800 2.115 335 HD12 LEU 45 HD12 LEU 45 -1.068 -17.253 1.122 336 HD13 LEU 45 HD13 LEU 45 -1.856 -17.211 2.698 337 HD21 LEU 45 HD21 LEU 45 -3.433 -14.778 -0.406 338 HD22 LEU 45 HD22 LEU 45 -1.994 -15.740 -0.743 339 HD23 LEU 45 HD23 LEU 45 -1.902 -14.374 0.371 340 H GLU 46 HN GLU 46 -6.311 -18.570 1.409 341 HA GLU 46 HA GLU 46 -6.959 -20.257 -0.913 342 HB2 GLU 46 HB2 GLU 46 -6.824 -20.999 2.016 343 HB3 GLU 46 HB1 GLU 46 -7.218 -22.096 0.701 344 HG2 GLU 46 HG2 GLU 46 -4.987 -21.772 -0.240 345 HG3 GLU 46 HG1 GLU 46 -4.590 -20.679 1.086 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -20.468 5.879 -3.069 2 H2 GLY 1 HT2 GLY 1 -20.526 4.393 -3.878 3 H3 GLY 1 HT3 GLY 1 -19.364 4.655 -2.677 4 HA2 GLY 1 HA1 GLY 1 -22.294 4.551 -2.235 5 HA3 GLY 1 HA2 GLY 1 -21.160 3.256 -1.868 6 H SER 2 HN SER 2 -19.778 3.447 -0.108 7 HA SER 2 HA SER 2 -19.964 5.849 1.525 8 HB2 SER 2 HB2 SER 2 -21.861 4.429 2.255 9 HB3 SER 2 HB1 SER 2 -20.727 3.126 2.611 10 HG SER 2 HG SER 2 -20.710 4.033 4.510 11 H LEU 3 HN LEU 3 -18.641 2.575 1.147 12 HA LEU 3 HA LEU 3 -16.478 3.012 2.974 13 HB2 LEU 3 HB2 LEU 3 -16.812 0.909 0.831 14 HB3 LEU 3 HB1 LEU 3 -15.611 0.879 2.109 15 HG LEU 3 HG LEU 3 -18.600 0.721 2.500 16 HD11 LEU 3 HD11 LEU 3 -18.144 -1.587 3.192 17 HD12 LEU 3 HD12 LEU 3 -16.444 -1.373 2.772 18 HD13 LEU 3 HD13 LEU 3 -17.679 -1.307 1.514 19 HD21 LEU 3 HD21 LEU 3 -18.037 0.231 4.839 20 HD22 LEU 3 HD22 LEU 3 -17.515 1.847 4.363 21 HD23 LEU 3 HD23 LEU 3 -16.337 0.540 4.488 22 H ASP 4 HN ASP 4 -17.079 3.707 -0.306 23 HA ASP 4 HA ASP 4 -14.542 3.754 -1.458 24 HB2 ASP 4 HB2 ASP 4 -16.685 5.811 -2.004 25 HB3 ASP 4 HB1 ASP 4 -15.479 5.181 -3.124 26 H GLU 5 HN GLU 5 -16.184 6.027 0.603 27 HA GLU 5 HA GLU 5 -14.548 8.263 0.340 28 HB2 GLU 5 HB2 GLU 5 -16.734 8.195 1.505 29 HB3 GLU 5 HB1 GLU 5 -15.984 7.297 2.815 30 HG2 GLU 5 HG2 GLU 5 -14.509 9.202 3.256 31 HG3 GLU 5 HG1 GLU 5 -15.314 10.104 1.971 32 H ASP 6 HN ASP 6 -14.296 5.479 2.507 33 HA ASP 6 HA ASP 6 -11.887 6.454 3.743 34 HB2 ASP 6 HB2 ASP 6 -13.516 5.018 4.964 35 HB3 ASP 6 HB1 ASP 6 -13.103 3.686 3.889 36 H GLU 7 HN GLU 7 -12.756 4.177 1.211 37 HA GLU 7 HA GLU 7 -10.346 2.973 0.704 38 HB2 GLU 7 HB2 GLU 7 -12.784 3.508 -0.784 39 HB3 GLU 7 HB1 GLU 7 -11.365 3.521 -1.826 40 HG2 GLU 7 HG2 GLU 7 -12.289 1.314 -1.773 41 HG3 GLU 7 HG1 GLU 7 -10.733 1.323 -0.950 42 H GLU 8 HN GLU 8 -11.438 6.173 -0.388 43 HA GLU 8 HA GLU 8 -9.199 6.739 -1.988 44 HB2 GLU 8 HB2 GLU 8 -11.130 8.549 -0.545 45 HB3 GLU 8 HB1 GLU 8 -9.845 9.166 -1.572 46 HG2 GLU 8 HG2 GLU 8 -10.809 7.823 -3.446 47 HG3 GLU 8 HG1 GLU 8 -12.168 7.437 -2.388 48 H ASP 9 HN ASP 9 -9.751 7.169 1.462 49 HA ASP 9 HA ASP 9 -7.327 8.651 1.873 50 HB2 ASP 9 HB2 ASP 9 -9.271 8.884 3.389 51 HB3 ASP 9 HB1 ASP 9 -9.067 7.205 3.886 52 H LEU 10 HN LEU 10 -8.367 5.306 2.247 53 HA LEU 10 HA LEU 10 -5.989 4.312 3.385 54 HB2 LEU 10 HB2 LEU 10 -8.268 3.195 3.233 55 HB3 LEU 10 HB1 LEU 10 -7.864 2.784 1.581 56 HG LEU 10 HG LEU 10 -7.554 0.963 3.301 57 HD11 LEU 10 HD11 LEU 10 -5.438 0.165 2.364 58 HD12 LEU 10 HD12 LEU 10 -5.150 1.763 1.673 59 HD13 LEU 10 HD13 LEU 10 -6.518 0.794 1.122 60 HD21 LEU 10 HD21 LEU 10 -5.615 1.011 4.712 61 HD22 LEU 10 HD22 LEU 10 -6.602 2.438 5.038 62 HD23 LEU 10 HD23 LEU 10 -5.138 2.579 4.068 63 H GLN 11 HN GLN 11 -7.095 4.449 -0.000 64 HA GLN 11 HA GLN 11 -4.721 3.379 -1.105 65 HB2 GLN 11 HB2 GLN 11 -6.812 5.180 -2.336 66 HB3 GLN 11 HB1 GLN 11 -5.516 4.408 -3.240 67 HG2 GLN 11 HG2 GLN 11 -6.383 2.207 -2.513 68 HG3 GLN 11 HG1 GLN 11 -7.731 3.037 -1.736 69 HE21 GLN 11 HE21 GLN 11 -9.217 1.967 -3.048 70 HE22 GLN 11 HE22 GLN 11 -9.422 2.352 -4.722 71 H ARG 12 HN ARG 12 -5.706 6.647 -0.248 72 HA ARG 12 HA ARG 12 -3.530 8.036 -1.336 73 HB2 ARG 12 HB2 ARG 12 -5.446 9.220 -0.432 74 HB3 ARG 12 HB1 ARG 12 -5.117 8.595 1.178 75 HG2 ARG 12 HG2 ARG 12 -4.420 10.921 0.940 76 HG3 ARG 12 HG1 ARG 12 -3.050 9.862 1.274 77 HD2 ARG 12 HD2 ARG 12 -2.496 9.849 -1.116 78 HD3 ARG 12 HD1 ARG 12 -3.852 10.933 -1.432 79 HE ARG 12 HE ARG 12 -2.115 12.037 0.523 80 HH11 ARG 12 HH11 ARG 12 -2.421 11.499 -2.924 81 HH12 ARG 12 HH12 ARG 12 -1.331 12.780 -3.358 82 HH21 ARG 12 HH21 ARG 12 -0.726 13.748 -0.030 83 HH22 ARG 12 HH22 ARG 12 -0.382 14.089 -1.696 84 H ALA 13 HN ALA 13 -3.959 6.617 1.901 85 HA ALA 13 HA ALA 13 -1.443 7.194 2.931 86 HB1 ALA 13 HB1 ALA 13 -1.845 5.414 4.527 87 HB2 ALA 13 HB2 ALA 13 -3.136 4.768 3.511 88 HB3 ALA 13 HB3 ALA 13 -3.315 6.353 4.266 89 H LEU 14 HN LEU 14 -2.430 4.623 0.751 90 HA LEU 14 HA LEU 14 -0.067 3.061 0.965 91 HB2 LEU 14 HB2 LEU 14 -2.020 3.317 -1.326 92 HB3 LEU 14 HB1 LEU 14 -0.793 2.071 -1.180 93 HG LEU 14 HG LEU 14 -3.112 2.459 0.719 94 HD11 LEU 14 HD11 LEU 14 -4.028 0.445 -0.267 95 HD12 LEU 14 HD12 LEU 14 -2.664 0.341 -1.381 96 HD13 LEU 14 HD13 LEU 14 -3.806 1.679 -1.508 97 HD21 LEU 14 HD21 LEU 14 -2.426 0.312 1.647 98 HD22 LEU 14 HD22 LEU 14 -1.134 1.503 1.794 99 HD23 LEU 14 HD23 LEU 14 -1.051 0.261 0.545 100 H ALA 15 HN ALA 15 -1.116 5.414 -1.507 101 HA ALA 15 HA ALA 15 1.335 5.474 -2.904 102 HB1 ALA 15 HB1 ALA 15 0.507 7.533 -3.911 103 HB2 ALA 15 HB2 ALA 15 -0.756 7.638 -2.685 104 HB3 ALA 15 HB3 ALA 15 -0.765 6.312 -3.850 105 H LEU 16 HN LEU 16 0.056 7.284 -0.207 106 HA LEU 16 HA LEU 16 2.016 9.211 0.164 107 HB2 LEU 16 HB2 LEU 16 -0.213 8.884 1.354 108 HB3 LEU 16 HB1 LEU 16 0.595 7.707 2.366 109 HG LEU 16 HG LEU 16 1.563 10.553 2.186 110 HD11 LEU 16 HD11 LEU 16 -0.364 9.473 4.231 111 HD12 LEU 16 HD12 LEU 16 -0.874 10.394 2.817 112 HD13 LEU 16 HD13 LEU 16 0.179 11.139 4.022 113 HD21 LEU 16 HD21 LEU 16 2.616 10.083 4.266 114 HD22 LEU 16 HD22 LEU 16 2.997 8.736 3.190 115 HD23 LEU 16 HD23 LEU 16 1.757 8.555 4.431 116 H SER 17 HN SER 17 1.806 5.948 1.570 117 HA SER 17 HA SER 17 4.210 5.934 2.972 118 HB2 SER 17 HB2 SER 17 2.428 4.228 3.214 119 HB3 SER 17 HB1 SER 17 2.839 3.590 1.621 120 HG SER 17 HG SER 17 4.108 3.263 4.046 121 H ARG 18 HN ARG 18 3.566 5.296 -0.421 122 HA ARG 18 HA ARG 18 6.155 4.235 -0.985 123 HB2 ARG 18 HB2 ARG 18 4.013 5.324 -2.807 124 HB3 ARG 18 HB1 ARG 18 5.501 4.576 -3.375 125 HG2 ARG 18 HG2 ARG 18 4.881 2.499 -2.230 126 HG3 ARG 18 HG1 ARG 18 3.372 3.251 -1.708 127 HD2 ARG 18 HD2 ARG 18 3.037 1.857 -3.685 128 HD3 ARG 18 HD1 ARG 18 2.704 3.555 -4.027 129 HE ARG 18 HE ARG 18 5.403 2.788 -4.650 130 HH11 ARG 18 HH11 ARG 18 2.113 2.821 -5.839 131 HH12 ARG 18 HH12 ARG 18 2.577 2.808 -7.510 132 HH21 ARG 18 HH21 ARG 18 6.022 2.768 -6.840 133 HH22 ARG 18 HH22 ARG 18 4.806 2.764 -8.083 134 H GLN 19 HN GLN 19 4.696 7.450 -1.292 135 HA GLN 19 HA GLN 19 7.068 8.567 -2.478 136 HB2 GLN 19 HB2 GLN 19 5.922 10.733 -2.267 137 HB3 GLN 19 HB1 GLN 19 4.902 9.530 -3.040 138 HG2 GLN 19 HG2 GLN 19 3.697 9.198 -0.951 139 HG3 GLN 19 HG1 GLN 19 4.732 10.385 -0.161 140 HE21 GLN 19 HE21 GLN 19 4.812 12.142 -2.482 141 HE22 GLN 19 HE22 GLN 19 3.263 12.912 -2.548 142 H GLU 20 HN GLU 20 6.034 7.834 0.669 143 HA GLU 20 HA GLU 20 7.528 9.681 2.176 144 HB2 GLU 20 HB2 GLU 20 6.667 6.836 2.695 145 HB3 GLU 20 HB1 GLU 20 7.617 7.742 3.869 146 HG2 GLU 20 HG2 GLU 20 4.919 8.540 2.804 147 HG3 GLU 20 HG1 GLU 20 5.231 7.789 4.369 148 H ILE 21 HN ILE 21 8.363 6.348 1.258 149 HA ILE 21 HA ILE 21 11.190 7.149 1.166 150 HB ILE 21 HB ILE 21 10.241 4.534 2.324 151 HG12 ILE 21 HG12 ILE 21 9.696 6.506 3.764 152 HG13 ILE 21 HG11 ILE 21 10.801 5.355 4.510 153 HG21 ILE 21 HG21 ILE 21 12.976 5.793 2.297 154 HG22 ILE 21 HG22 ILE 21 12.448 4.502 1.219 155 HG23 ILE 21 HG23 ILE 21 12.556 4.210 2.955 156 HD11 ILE 21 HD11 ILE 21 11.394 7.726 4.885 157 HD12 ILE 21 HD12 ILE 21 11.645 7.889 3.146 158 HD13 ILE 21 HD13 ILE 21 12.663 6.798 4.083 159 H ASP 22 HN ASP 22 11.491 7.031 -1.021 160 HA ASP 22 HA ASP 22 10.410 4.739 -2.473 161 HB2 ASP 22 HB2 ASP 22 11.000 5.912 -4.509 162 HB3 ASP 22 HB1 ASP 22 10.142 7.014 -3.441 163 H MET 23 HN MET 23 12.771 4.799 -0.559 164 HA MET 23 HA MET 23 15.093 4.176 -2.110 165 HB2 MET 23 HB2 MET 23 15.249 5.067 0.179 166 HB3 MET 23 HB1 MET 23 14.468 3.620 0.797 167 HG2 MET 23 HG2 MET 23 16.851 3.512 1.160 168 HG3 MET 23 HG1 MET 23 16.342 2.264 0.028 169 HE1 MET 23 HE1 MET 23 19.886 3.083 -1.326 170 HE2 MET 23 HE2 MET 23 18.769 1.818 -0.815 171 HE3 MET 23 HE3 MET 23 19.372 2.991 0.358 172 H GLU 24 HN GLU 24 15.428 2.343 -3.193 173 HA GLU 24 HA GLU 24 13.705 0.065 -2.691 174 HB2 GLU 24 HB2 GLU 24 15.844 0.429 -4.795 175 HB3 GLU 24 HB1 GLU 24 14.670 -0.879 -4.730 176 HG2 GLU 24 HG2 GLU 24 12.893 0.949 -4.826 177 HG3 GLU 24 HG1 GLU 24 14.206 2.021 -5.309 178 H ASP 25 HN ASP 25 14.690 -0.211 -0.546 179 HA ASP 25 HA ASP 25 16.742 -2.297 -0.736 180 HB2 ASP 25 HB2 ASP 25 17.778 -0.082 0.014 181 HB3 ASP 25 HB1 ASP 25 16.785 -0.210 1.462 182 H GLU 26 HN GLU 26 16.537 -2.180 2.407 183 HA GLU 26 HA GLU 26 14.426 -4.011 2.734 184 HB2 GLU 26 HB2 GLU 26 15.855 -2.245 4.718 185 HB3 GLU 26 HB1 GLU 26 14.606 -3.388 5.198 186 HG2 GLU 26 HG2 GLU 26 17.221 -4.027 3.860 187 HG3 GLU 26 HG1 GLU 26 16.768 -4.374 5.530 188 H GLU 27 HN GLU 27 14.537 -0.551 2.763 189 HA GLU 27 HA GLU 27 12.005 0.025 3.818 190 HB2 GLU 27 HB2 GLU 27 13.692 1.452 1.763 191 HB3 GLU 27 HB1 GLU 27 12.196 2.113 2.408 192 HG2 GLU 27 HG2 GLU 27 14.607 1.376 4.037 193 HG3 GLU 27 HG1 GLU 27 14.199 3.008 3.507 194 H ALA 28 HN ALA 28 13.032 -1.130 0.697 195 HA ALA 28 HA ALA 28 10.713 -0.392 -0.757 196 HB1 ALA 28 HB1 ALA 28 11.532 -1.874 -2.495 197 HB2 ALA 28 HB2 ALA 28 12.693 -2.582 -1.371 198 HB3 ALA 28 HB3 ALA 28 12.849 -0.893 -1.854 199 H ASP 29 HN ASP 29 11.514 -3.084 1.302 200 HA ASP 29 HA ASP 29 9.586 -4.938 0.482 201 HB2 ASP 29 HB2 ASP 29 11.243 -5.626 2.074 202 HB3 ASP 29 HB1 ASP 29 10.756 -4.375 3.213 203 H LEU 30 HN LEU 30 9.372 -2.287 2.809 204 HA LEU 30 HA LEU 30 6.692 -2.745 3.561 205 HB2 LEU 30 HB2 LEU 30 8.448 -0.301 3.689 206 HB3 LEU 30 HB1 LEU 30 6.784 -0.275 4.236 207 HG LEU 30 HG LEU 30 7.357 -2.103 5.853 208 HD11 LEU 30 HD11 LEU 30 10.189 -1.461 5.044 209 HD12 LEU 30 HD12 LEU 30 9.339 -2.970 4.711 210 HD13 LEU 30 HD13 LEU 30 9.697 -2.507 6.377 211 HD21 LEU 30 HD21 LEU 30 7.209 0.200 6.582 212 HD22 LEU 30 HD22 LEU 30 8.876 0.488 6.085 213 HD23 LEU 30 HD23 LEU 30 8.533 -0.615 7.418 214 H ARG 31 HN ARG 31 8.170 -0.754 1.055 215 HA ARG 31 HA ARG 31 5.718 0.498 0.269 216 HB2 ARG 31 HB2 ARG 31 8.091 0.263 -1.561 217 HB3 ARG 31 HB1 ARG 31 6.956 1.594 -1.389 218 HG2 ARG 31 HG2 ARG 31 9.118 0.817 0.558 219 HG3 ARG 31 HG1 ARG 31 9.119 2.214 -0.517 220 HD2 ARG 31 HD2 ARG 31 7.488 3.319 0.718 221 HD3 ARG 31 HD1 ARG 31 6.920 1.833 1.481 222 HE ARG 31 HE ARG 31 9.634 2.537 2.145 223 HH11 ARG 31 HH11 ARG 31 6.279 3.054 2.966 224 HH12 ARG 31 HH12 ARG 31 6.595 3.336 4.649 225 HH21 ARG 31 HH21 ARG 31 10.071 2.927 4.377 226 HH22 ARG 31 HH22 ARG 31 8.741 3.285 5.445 227 H ARG 32 HN ARG 32 7.448 -2.376 -0.599 228 HA ARG 32 HA ARG 32 6.038 -2.962 -3.010 229 HB2 ARG 32 HB2 ARG 32 8.304 -3.825 -2.408 230 HB3 ARG 32 HB1 ARG 32 7.555 -4.831 -1.180 231 HG2 ARG 32 HG2 ARG 32 6.368 -6.079 -2.873 232 HG3 ARG 32 HG1 ARG 32 7.003 -5.016 -4.136 233 HD2 ARG 32 HD2 ARG 32 9.290 -5.693 -3.510 234 HD3 ARG 32 HD1 ARG 32 8.620 -6.798 -2.314 235 HE ARG 32 HE ARG 32 7.445 -7.720 -4.495 236 HH11 ARG 32 HH11 ARG 32 10.744 -6.674 -4.005 237 HH12 ARG 32 HH12 ARG 32 11.414 -7.768 -5.169 238 HH21 ARG 32 HH21 ARG 32 8.308 -9.182 -6.037 239 HH22 ARG 32 HH22 ARG 32 10.027 -9.207 -6.328 240 H ALA 33 HN ALA 33 5.732 -3.970 0.376 241 HA ALA 33 HA ALA 33 3.536 -5.698 0.035 242 HB1 ALA 33 HB1 ALA 33 4.176 -3.966 2.426 243 HB2 ALA 33 HB2 ALA 33 4.830 -5.576 2.117 244 HB3 ALA 33 HB3 ALA 33 3.103 -5.365 2.407 245 H ILE 34 HN ILE 34 3.778 -2.218 0.426 246 HA ILE 34 HA ILE 34 0.982 -1.706 0.513 247 HB ILE 34 HB ILE 34 3.439 -0.061 0.224 248 HG12 ILE 34 HG12 ILE 34 2.449 1.207 2.001 249 HG13 ILE 34 HG11 ILE 34 0.884 0.465 1.714 250 HG21 ILE 34 HG21 ILE 34 0.823 1.259 -0.359 251 HG22 ILE 34 HG22 ILE 34 1.785 0.570 -1.652 252 HG23 ILE 34 HG23 ILE 34 2.459 1.850 -0.651 253 HD11 ILE 34 HD11 ILE 34 2.025 -0.373 3.737 254 HD12 ILE 34 HD12 ILE 34 3.311 -1.003 2.708 255 HD13 ILE 34 HD13 ILE 34 1.676 -1.639 2.561 256 H GLN 35 HN GLN 35 3.382 -1.940 -2.040 257 HA GLN 35 HA GLN 35 1.849 -1.034 -4.207 258 HB2 GLN 35 HB2 GLN 35 4.308 -1.440 -4.234 259 HB3 GLN 35 HB1 GLN 35 3.994 -3.168 -4.214 260 HG2 GLN 35 HG2 GLN 35 4.491 -2.555 -6.448 261 HG3 GLN 35 HG1 GLN 35 2.765 -2.899 -6.361 262 HE21 GLN 35 HE21 GLN 35 4.327 -1.274 -8.257 263 HE22 GLN 35 HE22 GLN 35 3.593 0.297 -8.220 264 H LEU 36 HN LEU 36 2.118 -4.187 -2.687 265 HA LEU 36 HA LEU 36 0.430 -5.543 -4.543 266 HB2 LEU 36 HB2 LEU 36 2.081 -6.772 -3.306 267 HB3 LEU 36 HB1 LEU 36 1.459 -6.195 -1.777 268 HG LEU 36 HG LEU 36 0.996 -8.625 -2.423 269 HD11 LEU 36 HD11 LEU 36 -1.480 -8.329 -1.636 270 HD12 LEU 36 HD12 LEU 36 -0.975 -6.645 -1.404 271 HD13 LEU 36 HD13 LEU 36 -0.138 -7.952 -0.559 272 HD21 LEU 36 HD21 LEU 36 0.314 -8.264 -4.727 273 HD22 LEU 36 HD22 LEU 36 -1.048 -7.282 -4.189 274 HD23 LEU 36 HD23 LEU 36 -0.998 -9.003 -3.804 275 H SER 37 HN SER 37 -0.010 -4.260 -1.262 276 HA SER 37 HA SER 37 -2.742 -4.930 -1.040 277 HB2 SER 37 HB2 SER 37 -1.259 -4.467 0.892 278 HB3 SER 37 HB1 SER 37 -1.201 -2.770 0.421 279 HG SER 37 HG SER 37 -3.666 -3.080 0.536 280 H MET 38 HN MET 38 -1.257 -2.549 -2.922 281 HA MET 38 HA MET 38 -3.312 -0.569 -2.801 282 HB2 MET 38 HB2 MET 38 -1.011 0.005 -3.408 283 HB3 MET 38 HB1 MET 38 -1.113 -1.031 -4.826 284 HG2 MET 38 HG2 MET 38 -2.922 0.386 -5.681 285 HG3 MET 38 HG1 MET 38 -2.708 1.463 -4.306 286 HE1 MET 38 HE1 MET 38 -0.070 -0.447 -6.540 287 HE2 MET 38 HE2 MET 38 0.368 0.821 -7.683 288 HE3 MET 38 HE3 MET 38 -1.267 0.160 -7.686 289 H GLN 39 HN GLN 39 -2.780 -3.503 -4.531 290 HA GLN 39 HA GLN 39 -5.024 -2.869 -6.320 291 HB2 GLN 39 HB2 GLN 39 -4.172 -4.697 -7.763 292 HB3 GLN 39 HB1 GLN 39 -3.025 -3.378 -7.576 293 HG2 GLN 39 HG2 GLN 39 -1.838 -4.709 -5.870 294 HG3 GLN 39 HG1 GLN 39 -2.950 -6.041 -6.181 295 HE21 GLN 39 HE21 GLN 39 -1.757 -3.913 -8.676 296 HE22 GLN 39 HE22 GLN 39 -0.776 -5.089 -9.476 297 H GLY 40 HN GLY 40 -6.315 -4.897 -6.937 298 HA2 GLY 40 HA2 GLY 40 -7.061 -7.091 -6.130 299 HA3 GLY 40 HA1 GLY 40 -6.702 -6.533 -4.502 300 H SER 41 HN SER 41 -8.046 -4.074 -6.347 301 HA SER 41 HA SER 41 -10.575 -4.320 -4.933 302 HB2 SER 41 HB2 SER 41 -9.604 -2.111 -6.761 303 HB3 SER 41 HB1 SER 41 -10.988 -2.042 -5.670 304 HG SER 41 HG SER 41 -9.535 -2.273 -3.924 305 H SER 42 HN SER 42 -10.028 -6.224 -6.948 306 HA SER 42 HA SER 42 -12.276 -5.698 -8.749 307 HB2 SER 42 HB2 SER 42 -9.648 -6.978 -9.544 308 HB3 SER 42 HB1 SER 42 -11.072 -6.840 -10.576 309 HG SER 42 HG SER 42 -10.430 -4.917 -11.071 310 H ARG 43 HN ARG 43 -13.783 -7.219 -8.550 311 HA ARG 43 HA ARG 43 -13.194 -9.567 -6.954 312 HB2 ARG 43 HB2 ARG 43 -15.419 -7.923 -7.248 313 HB3 ARG 43 HB1 ARG 43 -15.889 -9.423 -8.032 314 HG2 ARG 43 HG2 ARG 43 -14.918 -9.109 -5.199 315 HG3 ARG 43 HG1 ARG 43 -16.566 -9.463 -5.723 316 HD2 ARG 43 HD2 ARG 43 -15.795 -11.581 -6.687 317 HD3 ARG 43 HD1 ARG 43 -14.152 -11.227 -6.152 318 HE ARG 43 HE ARG 43 -15.948 -11.133 -3.964 319 HH11 ARG 43 HH11 ARG 43 -14.237 -13.347 -6.067 320 HH12 ARG 43 HH12 ARG 43 -14.350 -14.690 -4.971 321 HH21 ARG 43 HH21 ARG 43 -16.089 -12.877 -2.495 322 HH22 ARG 43 HH22 ARG 43 -15.387 -14.416 -2.907 323 H ASN 44 HN ASN 44 -12.119 -9.377 -9.687 324 HA ASN 44 HA ASN 44 -12.650 -12.048 -10.487 325 HB2 ASN 44 HB2 ASN 44 -14.670 -10.924 -11.448 326 HB3 ASN 44 HB1 ASN 44 -13.602 -9.908 -12.411 327 HD21 ASN 44 HD21 ASN 44 -14.932 -13.068 -11.983 328 HD22 ASN 44 HD22 ASN 44 -14.385 -13.731 -13.484 329 H LEU 45 HN LEU 45 -11.820 -9.048 -12.205 330 HA LEU 45 HA LEU 45 -9.014 -9.546 -12.160 331 HB2 LEU 45 HB2 LEU 45 -9.610 -11.216 -13.830 332 HB3 LEU 45 HB1 LEU 45 -10.507 -10.022 -14.744 333 HG LEU 45 HG LEU 45 -8.399 -8.815 -15.207 334 HD11 LEU 45 HD11 LEU 45 -7.105 -11.161 -13.827 335 HD12 LEU 45 HD12 LEU 45 -7.132 -9.495 -13.248 336 HD13 LEU 45 HD13 LEU 45 -6.262 -9.901 -14.727 337 HD21 LEU 45 HD21 LEU 45 -8.373 -11.731 -15.976 338 HD22 LEU 45 HD22 LEU 45 -7.490 -10.439 -16.789 339 HD23 LEU 45 HD23 LEU 45 -9.254 -10.446 -16.804 340 H GLU 46 HN GLU 46 -11.550 -8.066 -14.149 341 HA GLU 46 HA GLU 46 -9.965 -5.631 -14.377 342 HB2 GLU 46 HB2 GLU 46 -12.612 -6.358 -15.650 343 HB3 GLU 46 HB1 GLU 46 -11.620 -4.961 -16.045 344 HG2 GLU 46 HG2 GLU 46 -9.880 -6.373 -16.911 345 HG3 GLU 46 HG1 GLU 46 -10.744 -7.817 -16.391 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -22.799 -0.173 7.004 2 H2 GLY 1 HT2 GLY 1 -22.449 0.595 5.532 3 H3 GLY 1 HT3 GLY 1 -22.437 1.482 6.975 4 HA2 GLY 1 HA1 GLY 1 -20.553 0.213 7.782 5 HA3 GLY 1 HA2 GLY 1 -20.565 -0.717 6.289 6 H SER 2 HN SER 2 -18.250 0.229 6.516 7 HA SER 2 HA SER 2 -18.183 2.858 5.175 8 HB2 SER 2 HB2 SER 2 -16.030 1.660 6.930 9 HB3 SER 2 HB1 SER 2 -16.073 3.293 6.259 10 HG SER 2 HG SER 2 -18.082 3.542 7.517 11 H LEU 3 HN LEU 3 -17.911 2.382 3.061 12 HA LEU 3 HA LEU 3 -15.807 0.445 2.357 13 HB2 LEU 3 HB2 LEU 3 -17.914 1.629 0.542 14 HB3 LEU 3 HB1 LEU 3 -16.800 0.335 0.149 15 HG LEU 3 HG LEU 3 -18.012 -0.838 2.187 16 HD11 LEU 3 HD11 LEU 3 -20.108 1.045 1.128 17 HD12 LEU 3 HD12 LEU 3 -19.437 1.031 2.759 18 HD13 LEU 3 HD13 LEU 3 -20.406 -0.330 2.193 19 HD21 LEU 3 HD21 LEU 3 -19.469 -1.943 0.573 20 HD22 LEU 3 HD22 LEU 3 -17.851 -1.702 -0.088 21 HD23 LEU 3 HD23 LEU 3 -19.175 -0.648 -0.587 22 H ASP 4 HN ASP 4 -17.201 3.414 1.086 23 HA ASP 4 HA ASP 4 -14.855 4.178 -0.346 24 HB2 ASP 4 HB2 ASP 4 -17.185 5.929 0.473 25 HB3 ASP 4 HB1 ASP 4 -16.060 6.219 -0.850 26 H GLU 5 HN GLU 5 -16.246 4.915 2.750 27 HA GLU 5 HA GLU 5 -14.985 7.165 3.599 28 HB2 GLU 5 HB2 GLU 5 -15.103 4.803 5.434 29 HB3 GLU 5 HB1 GLU 5 -15.430 6.495 5.786 30 HG2 GLU 5 HG2 GLU 5 -17.157 4.783 4.043 31 HG3 GLU 5 HG1 GLU 5 -17.432 5.010 5.768 32 H ASP 6 HN ASP 6 -13.733 3.867 3.886 33 HA ASP 6 HA ASP 6 -11.149 4.835 4.776 34 HB2 ASP 6 HB2 ASP 6 -12.158 2.022 4.306 35 HB3 ASP 6 HB1 ASP 6 -10.589 2.431 4.993 36 H GLU 7 HN GLU 7 -12.661 3.753 1.875 37 HA GLU 7 HA GLU 7 -10.545 2.695 0.419 38 HB2 GLU 7 HB2 GLU 7 -13.200 3.317 -0.061 39 HB3 GLU 7 HB1 GLU 7 -12.342 4.389 -1.157 40 HG2 GLU 7 HG2 GLU 7 -11.739 1.460 -1.050 41 HG3 GLU 7 HG1 GLU 7 -13.063 2.099 -2.022 42 H GLU 8 HN GLU 8 -11.671 6.053 0.569 43 HA GLU 8 HA GLU 8 -9.816 7.149 -1.207 44 HB2 GLU 8 HB2 GLU 8 -11.120 8.488 1.160 45 HB3 GLU 8 HB1 GLU 8 -10.441 9.295 -0.250 46 HG2 GLU 8 HG2 GLU 8 -12.140 8.383 -1.662 47 HG3 GLU 8 HG1 GLU 8 -12.750 7.369 -0.355 48 H ASP 9 HN ASP 9 -9.669 6.729 2.304 49 HA ASP 9 HA ASP 9 -7.191 8.162 2.527 50 HB2 ASP 9 HB2 ASP 9 -8.873 8.123 4.356 51 HB3 ASP 9 HB1 ASP 9 -8.546 6.407 4.586 52 H LEU 10 HN LEU 10 -8.135 4.849 2.081 53 HA LEU 10 HA LEU 10 -5.678 3.641 2.843 54 HB2 LEU 10 HB2 LEU 10 -7.983 2.545 2.434 55 HB3 LEU 10 HB1 LEU 10 -7.543 2.557 0.741 56 HG LEU 10 HG LEU 10 -7.162 0.381 1.941 57 HD11 LEU 10 HD11 LEU 10 -4.710 1.663 0.753 58 HD12 LEU 10 HD12 LEU 10 -6.018 0.903 -0.153 59 HD13 LEU 10 HD13 LEU 10 -5.007 -0.068 0.918 60 HD21 LEU 10 HD21 LEU 10 -5.279 0.163 3.415 61 HD22 LEU 10 HD22 LEU 10 -6.370 1.399 4.047 62 HD23 LEU 10 HD23 LEU 10 -4.884 1.870 3.225 63 H GLN 11 HN GLN 11 -7.011 4.637 -0.305 64 HA GLN 11 HA GLN 11 -4.735 4.125 -1.856 65 HB2 GLN 11 HB2 GLN 11 -6.807 6.306 -2.165 66 HB3 GLN 11 HB1 GLN 11 -5.648 5.840 -3.402 67 HG2 GLN 11 HG2 GLN 11 -7.749 4.028 -2.239 68 HG3 GLN 11 HG1 GLN 11 -7.893 4.902 -3.764 69 HE21 GLN 11 HE21 GLN 11 -6.439 2.229 -2.121 70 HE22 GLN 11 HE22 GLN 11 -5.751 1.482 -3.519 71 H ARG 12 HN ARG 12 -5.732 6.989 -0.067 72 HA ARG 12 HA ARG 12 -3.588 8.669 -0.621 73 HB2 ARG 12 HB2 ARG 12 -5.607 9.447 0.471 74 HB3 ARG 12 HB1 ARG 12 -5.299 8.415 1.856 75 HG2 ARG 12 HG2 ARG 12 -3.355 10.561 1.097 76 HG3 ARG 12 HG1 ARG 12 -4.810 10.938 2.026 77 HD2 ARG 12 HD2 ARG 12 -4.123 9.158 3.645 78 HD3 ARG 12 HD1 ARG 12 -2.606 9.028 2.755 79 HE ARG 12 HE ARG 12 -2.112 11.310 3.429 80 HH11 ARG 12 HH11 ARG 12 -4.785 9.743 5.055 81 HH12 ARG 12 HH12 ARG 12 -4.612 10.663 6.518 82 HH21 ARG 12 HH21 ARG 12 -1.838 12.507 5.374 83 HH22 ARG 12 HH22 ARG 12 -2.938 12.241 6.700 84 H ALA 13 HN ALA 13 -3.947 6.298 2.007 85 HA ALA 13 HA ALA 13 -1.487 6.750 3.248 86 HB1 ALA 13 HB1 ALA 13 -1.773 4.563 4.273 87 HB2 ALA 13 HB2 ALA 13 -3.017 4.156 3.090 88 HB3 ALA 13 HB3 ALA 13 -3.301 5.446 4.258 89 H LEU 14 HN LEU 14 -2.343 4.516 0.624 90 HA LEU 14 HA LEU 14 0.171 3.291 0.365 91 HB2 LEU 14 HB2 LEU 14 -1.910 3.842 -1.756 92 HB3 LEU 14 HB1 LEU 14 -0.538 2.768 -1.957 93 HG LEU 14 HG LEU 14 -2.820 2.386 -0.018 94 HD11 LEU 14 HD11 LEU 14 -2.067 0.904 -2.532 95 HD12 LEU 14 HD12 LEU 14 -3.454 1.974 -2.330 96 HD13 LEU 14 HD13 LEU 14 -3.369 0.463 -1.425 97 HD21 LEU 14 HD21 LEU 14 -1.795 0.223 0.460 98 HD22 LEU 14 HD22 LEU 14 -0.716 1.549 0.892 99 HD23 LEU 14 HD23 LEU 14 -0.434 0.631 -0.587 100 H ALA 15 HN ALA 15 -1.204 6.067 -1.397 101 HA ALA 15 HA ALA 15 1.152 6.620 -2.874 102 HB1 ALA 15 HB1 ALA 15 0.058 8.714 -3.473 103 HB2 ALA 15 HB2 ALA 15 -1.148 8.458 -2.213 104 HB3 ALA 15 HB3 ALA 15 -1.069 7.363 -3.592 105 H LEU 16 HN LEU 16 0.086 7.446 0.306 106 HA LEU 16 HA LEU 16 1.665 9.687 0.844 107 HB2 LEU 16 HB2 LEU 16 -0.206 8.621 2.224 108 HB3 LEU 16 HB1 LEU 16 1.000 7.494 2.803 109 HG LEU 16 HG LEU 16 1.284 10.471 3.173 110 HD11 LEU 16 HD11 LEU 16 0.156 8.522 5.168 111 HD12 LEU 16 HD12 LEU 16 -0.855 9.534 4.139 112 HD13 LEU 16 HD13 LEU 16 0.249 10.278 5.303 113 HD21 LEU 16 HD21 LEU 16 2.847 9.878 4.881 114 HD22 LEU 16 HD22 LEU 16 3.278 8.961 3.432 115 HD23 LEU 16 HD23 LEU 16 2.420 8.172 4.754 116 H SER 17 HN SER 17 2.322 6.252 1.586 117 HA SER 17 HA SER 17 5.005 6.662 2.350 118 HB2 SER 17 HB2 SER 17 3.703 4.145 1.279 119 HB3 SER 17 HB1 SER 17 5.220 4.226 2.178 120 HG SER 17 HG SER 17 4.107 4.921 3.982 121 H ARG 18 HN ARG 18 3.476 6.157 -0.724 122 HA ARG 18 HA ARG 18 5.750 5.461 -2.234 123 HB2 ARG 18 HB2 ARG 18 3.130 6.728 -3.024 124 HB3 ARG 18 HB1 ARG 18 4.377 6.315 -4.194 125 HG2 ARG 18 HG2 ARG 18 4.192 4.003 -3.711 126 HG3 ARG 18 HG1 ARG 18 3.185 4.310 -2.296 127 HD2 ARG 18 HD2 ARG 18 1.807 3.525 -4.117 128 HD3 ARG 18 HD1 ARG 18 1.432 5.212 -3.774 129 HE ARG 18 HE ARG 18 3.333 5.251 -5.783 130 HH11 ARG 18 HH11 ARG 18 0.092 3.976 -5.361 131 HH12 ARG 18 HH12 ARG 18 -0.329 4.112 -7.041 132 HH21 ARG 18 HH21 ARG 18 2.786 5.451 -7.982 133 HH22 ARG 18 HH22 ARG 18 1.225 4.926 -8.542 134 H GLN 19 HN GLN 19 4.191 8.622 -1.682 135 HA GLN 19 HA GLN 19 6.156 10.029 -3.216 136 HB2 GLN 19 HB2 GLN 19 5.075 12.053 -2.417 137 HB3 GLN 19 HB1 GLN 19 3.870 10.882 -2.935 138 HG2 GLN 19 HG2 GLN 19 3.483 10.270 -0.589 139 HG3 GLN 19 HG1 GLN 19 4.665 11.483 -0.095 140 HE21 GLN 19 HE21 GLN 19 1.497 10.923 -1.386 141 HE22 GLN 19 HE22 GLN 19 0.900 12.530 -1.160 142 H GLU 20 HN GLU 20 6.244 8.659 -0.179 143 HA GLU 20 HA GLU 20 8.183 10.499 0.954 144 HB2 GLU 20 HB2 GLU 20 7.062 7.843 1.841 145 HB3 GLU 20 HB1 GLU 20 8.337 8.680 2.725 146 HG2 GLU 20 HG2 GLU 20 6.818 10.597 3.025 147 HG3 GLU 20 HG1 GLU 20 5.551 9.681 2.207 148 H ILE 21 HN ILE 21 8.119 7.821 -1.130 149 HA ILE 21 HA ILE 21 9.590 6.294 -1.887 150 HB ILE 21 HB ILE 21 11.571 8.514 -1.329 151 HG12 ILE 21 HG12 ILE 21 11.517 8.731 -3.826 152 HG13 ILE 21 HG11 ILE 21 10.220 7.546 -3.862 153 HG21 ILE 21 HG21 ILE 21 12.003 6.022 -2.979 154 HG22 ILE 21 HG22 ILE 21 12.672 6.282 -1.370 155 HG23 ILE 21 HG23 ILE 21 13.164 7.322 -2.709 156 HD11 ILE 21 HD11 ILE 21 10.119 10.270 -2.591 157 HD12 ILE 21 HD12 ILE 21 8.822 9.074 -2.561 158 HD13 ILE 21 HD13 ILE 21 9.342 9.772 -4.096 159 H ASP 22 HN ASP 22 9.047 4.966 -0.112 160 HA ASP 22 HA ASP 22 10.812 4.808 2.154 161 HB2 ASP 22 HB2 ASP 22 9.439 2.749 2.666 162 HB3 ASP 22 HB1 ASP 22 8.528 4.249 2.554 163 H MET 23 HN MET 23 12.800 4.538 1.057 164 HA MET 23 HA MET 23 13.223 1.817 0.042 165 HB2 MET 23 HB2 MET 23 13.062 3.312 -1.881 166 HB3 MET 23 HB1 MET 23 14.285 4.366 -1.187 167 HG2 MET 23 HG2 MET 23 15.168 2.932 -2.970 168 HG3 MET 23 HG1 MET 23 15.963 2.658 -1.420 169 HE1 MET 23 HE1 MET 23 16.046 -0.899 -3.010 170 HE2 MET 23 HE2 MET 23 16.988 0.411 -2.296 171 HE3 MET 23 HE3 MET 23 16.216 0.635 -3.865 172 H GLU 24 HN GLU 24 14.753 0.802 1.089 173 HA GLU 24 HA GLU 24 17.345 1.824 1.451 174 HB2 GLU 24 HB2 GLU 24 16.277 3.019 3.352 175 HB3 GLU 24 HB1 GLU 24 15.787 1.470 4.022 176 HG2 GLU 24 HG2 GLU 24 17.738 2.253 5.170 177 HG3 GLU 24 HG1 GLU 24 18.161 0.835 4.214 178 H ASP 25 HN ASP 25 15.653 -0.316 3.724 179 HA ASP 25 HA ASP 25 16.711 -2.648 2.292 180 HB2 ASP 25 HB2 ASP 25 17.273 -1.978 5.175 181 HB3 ASP 25 HB1 ASP 25 17.368 -3.626 4.567 182 H GLU 26 HN GLU 26 15.214 -2.184 5.481 183 HA GLU 26 HA GLU 26 13.505 -4.443 4.983 184 HB2 GLU 26 HB2 GLU 26 13.713 -2.601 7.366 185 HB3 GLU 26 HB1 GLU 26 12.694 -4.033 7.299 186 HG2 GLU 26 HG2 GLU 26 15.695 -3.958 7.106 187 HG3 GLU 26 HG1 GLU 26 14.737 -4.515 8.477 188 H GLU 27 HN GLU 27 13.164 -0.961 5.075 189 HA GLU 27 HA GLU 27 10.328 -0.926 5.053 190 HB2 GLU 27 HB2 GLU 27 10.632 1.407 4.063 191 HB3 GLU 27 HB1 GLU 27 11.294 1.118 5.662 192 HG2 GLU 27 HG2 GLU 27 12.995 0.903 3.208 193 HG3 GLU 27 HG1 GLU 27 12.684 2.452 3.991 194 H ALA 28 HN ALA 28 12.705 -1.521 2.628 195 HA ALA 28 HA ALA 28 11.152 -1.049 0.327 196 HB1 ALA 28 HB1 ALA 28 12.722 -2.507 -0.824 197 HB2 ALA 28 HB2 ALA 28 13.323 -3.109 0.721 198 HB3 ALA 28 HB3 ALA 28 13.582 -1.424 0.268 199 H ASP 29 HN ASP 29 11.045 -3.542 2.729 200 HA ASP 29 HA ASP 29 9.505 -5.373 1.135 201 HB2 ASP 29 HB2 ASP 29 10.818 -6.233 3.002 202 HB3 ASP 29 HB1 ASP 29 9.895 -5.245 4.132 203 H LEU 30 HN LEU 30 8.852 -2.738 3.349 204 HA LEU 30 HA LEU 30 6.039 -3.095 3.486 205 HB2 LEU 30 HB2 LEU 30 7.803 -0.675 3.850 206 HB3 LEU 30 HB1 LEU 30 6.057 -0.570 3.954 207 HG LEU 30 HG LEU 30 6.162 -2.271 5.814 208 HD11 LEU 30 HD11 LEU 30 9.105 -1.632 5.721 209 HD12 LEU 30 HD12 LEU 30 8.375 -3.186 5.319 210 HD13 LEU 30 HD13 LEU 30 8.279 -2.566 6.967 211 HD21 LEU 30 HD21 LEU 30 5.835 0.090 6.248 212 HD22 LEU 30 HD22 LEU 30 7.578 0.360 6.204 213 HD23 LEU 30 HD23 LEU 30 6.871 -0.624 7.485 214 H ARG 31 HN ARG 31 8.180 -1.227 1.387 215 HA ARG 31 HA ARG 31 6.367 -0.103 -0.369 216 HB2 ARG 31 HB2 ARG 31 8.863 0.202 -0.354 217 HB3 ARG 31 HB1 ARG 31 9.008 -1.366 -1.135 218 HG2 ARG 31 HG2 ARG 31 9.201 0.349 -2.785 219 HG3 ARG 31 HG1 ARG 31 7.669 -0.495 -3.023 220 HD2 ARG 31 HD2 ARG 31 6.476 1.288 -1.912 221 HD3 ARG 31 HD1 ARG 31 7.991 2.112 -1.544 222 HE ARG 31 HE ARG 31 7.350 1.627 -4.353 223 HH11 ARG 31 HH11 ARG 31 7.551 3.865 -1.652 224 HH12 ARG 31 HH12 ARG 31 7.503 5.279 -2.673 225 HH21 ARG 31 HH21 ARG 31 7.281 3.482 -5.685 226 HH22 ARG 31 HH22 ARG 31 7.337 5.068 -4.961 227 H ARG 32 HN ARG 32 7.836 -3.310 -0.471 228 HA ARG 32 HA ARG 32 6.629 -4.366 -2.734 229 HB2 ARG 32 HB2 ARG 32 8.437 -5.424 -1.408 230 HB3 ARG 32 HB1 ARG 32 7.278 -5.778 -0.140 231 HG2 ARG 32 HG2 ARG 32 6.051 -7.235 -1.688 232 HG3 ARG 32 HG1 ARG 32 7.255 -6.894 -2.937 233 HD2 ARG 32 HD2 ARG 32 9.004 -7.760 -1.396 234 HD3 ARG 32 HD1 ARG 32 7.729 -8.224 -0.273 235 HE ARG 32 HE ARG 32 6.999 -9.480 -2.546 236 HH11 ARG 32 HH11 ARG 32 10.005 -9.312 -0.752 237 HH12 ARG 32 HH12 ARG 32 10.542 -10.891 -1.250 238 HH21 ARG 32 HH21 ARG 32 7.701 -11.562 -3.209 239 HH22 ARG 32 HH22 ARG 32 9.226 -12.175 -2.639 240 H ALA 33 HN ALA 33 5.429 -4.116 0.570 241 HA ALA 33 HA ALA 33 3.042 -5.602 0.153 242 HB1 ALA 33 HB1 ALA 33 3.669 -3.555 2.278 243 HB2 ALA 33 HB2 ALA 33 4.017 -5.281 2.373 244 HB3 ALA 33 HB3 ALA 33 2.345 -4.722 2.317 245 H ILE 34 HN ILE 34 3.880 -2.186 -0.150 246 HA ILE 34 HA ILE 34 1.241 -1.208 -0.499 247 HB ILE 34 HB ILE 34 3.973 -0.142 -1.013 248 HG12 ILE 34 HG12 ILE 34 2.965 1.843 0.169 249 HG13 ILE 34 HG11 ILE 34 1.477 0.916 0.319 250 HG21 ILE 34 HG21 ILE 34 3.152 1.817 -2.212 251 HG22 ILE 34 HG22 ILE 34 1.542 1.104 -2.291 252 HG23 ILE 34 HG23 ILE 34 2.886 0.342 -3.142 253 HD11 ILE 34 HD11 ILE 34 4.146 0.239 1.526 254 HD12 ILE 34 HD12 ILE 34 2.709 -0.779 1.610 255 HD13 ILE 34 HD13 ILE 34 2.706 0.811 2.370 256 H GLN 35 HN GLN 35 3.692 -2.450 -2.675 257 HA GLN 35 HA GLN 35 2.359 -2.033 -5.116 258 HB2 GLN 35 HB2 GLN 35 4.730 -2.669 -4.963 259 HB3 GLN 35 HB1 GLN 35 4.271 -4.245 -4.335 260 HG2 GLN 35 HG2 GLN 35 3.045 -4.640 -6.485 261 HG3 GLN 35 HG1 GLN 35 3.775 -3.156 -7.092 262 HE21 GLN 35 HE21 GLN 35 5.413 -5.351 -4.935 263 HE22 GLN 35 HE22 GLN 35 6.572 -5.937 -6.080 264 H LEU 36 HN LEU 36 2.188 -4.626 -2.745 265 HA LEU 36 HA LEU 36 0.488 -6.302 -4.315 266 HB2 LEU 36 HB2 LEU 36 1.954 -7.281 -2.681 267 HB3 LEU 36 HB1 LEU 36 1.294 -6.285 -1.405 268 HG LEU 36 HG LEU 36 0.662 -8.756 -1.437 269 HD11 LEU 36 HD11 LEU 36 -1.842 -8.069 -1.008 270 HD12 LEU 36 HD12 LEU 36 -1.157 -6.436 -1.114 271 HD13 LEU 36 HD13 LEU 36 -0.545 -7.581 0.086 272 HD21 LEU 36 HD21 LEU 36 -1.141 -7.796 -3.654 273 HD22 LEU 36 HD22 LEU 36 -1.252 -9.357 -2.840 274 HD23 LEU 36 HD23 LEU 36 0.170 -8.965 -3.809 275 H SER 37 HN SER 37 -0.015 -4.152 -1.539 276 HA SER 37 HA SER 37 -2.787 -4.517 -1.307 277 HB2 SER 37 HB2 SER 37 -1.400 -3.533 0.475 278 HB3 SER 37 HB1 SER 37 -1.110 -2.114 -0.530 279 HG SER 37 HG SER 37 -3.629 -2.183 -0.518 280 H MET 38 HN MET 38 -1.055 -2.981 -3.766 281 HA MET 38 HA MET 38 -2.863 -0.917 -4.446 282 HB2 MET 38 HB2 MET 38 -0.586 -0.887 -5.268 283 HB3 MET 38 HB1 MET 38 -0.824 -2.423 -6.092 284 HG2 MET 38 HG2 MET 38 -2.473 -1.376 -7.545 285 HG3 MET 38 HG1 MET 38 -2.206 0.168 -6.741 286 HE1 MET 38 HE1 MET 38 -2.022 -0.087 -9.877 287 HE2 MET 38 HE2 MET 38 -0.549 0.828 -10.200 288 HE3 MET 38 HE3 MET 38 -1.695 1.403 -8.990 289 H GLN 39 HN GLN 39 -2.737 -4.349 -5.086 290 HA GLN 39 HA GLN 39 -5.045 -4.099 -6.894 291 HB2 GLN 39 HB2 GLN 39 -4.553 -6.314 -7.687 292 HB3 GLN 39 HB1 GLN 39 -3.061 -5.386 -7.715 293 HG2 GLN 39 HG2 GLN 39 -2.331 -6.458 -5.663 294 HG3 GLN 39 HG1 GLN 39 -3.846 -7.356 -5.577 295 HE21 GLN 39 HE21 GLN 39 -1.134 -8.359 -5.717 296 HE22 GLN 39 HE22 GLN 39 -1.055 -9.365 -7.124 297 H GLY 40 HN GLY 40 -6.869 -5.502 -6.584 298 HA2 GLY 40 HA2 GLY 40 -7.665 -5.768 -3.866 299 HA3 GLY 40 HA1 GLY 40 -8.539 -6.383 -5.263 300 H SER 41 HN SER 41 -6.824 -7.212 -2.531 301 HA SER 41 HA SER 41 -5.514 -9.566 -3.437 302 HB2 SER 41 HB2 SER 41 -5.529 -9.931 -0.806 303 HB3 SER 41 HB1 SER 41 -4.479 -8.737 -1.567 304 HG SER 41 HG SER 41 -5.726 -7.961 0.272 305 H SER 42 HN SER 42 -7.741 -10.098 -4.510 306 HA SER 42 HA SER 42 -8.807 -12.324 -2.929 307 HB2 SER 42 HB2 SER 42 -10.487 -10.359 -4.509 308 HB3 SER 42 HB1 SER 42 -11.090 -11.864 -3.817 309 HG SER 42 HG SER 42 -9.764 -10.008 -2.170 310 H ARG 43 HN ARG 43 -7.734 -10.959 -5.872 311 HA ARG 43 HA ARG 43 -7.832 -13.562 -7.156 312 HB2 ARG 43 HB2 ARG 43 -8.725 -12.601 -9.258 313 HB3 ARG 43 HB1 ARG 43 -9.891 -12.558 -7.946 314 HG2 ARG 43 HG2 ARG 43 -9.485 -10.206 -7.603 315 HG3 ARG 43 HG1 ARG 43 -8.203 -10.222 -8.814 316 HD2 ARG 43 HD2 ARG 43 -11.090 -10.889 -9.367 317 HD3 ARG 43 HD1 ARG 43 -10.361 -9.309 -9.647 318 HE ARG 43 HE ARG 43 -8.747 -10.972 -11.044 319 HH11 ARG 43 HH11 ARG 43 -12.234 -10.665 -10.957 320 HH12 ARG 43 HH12 ARG 43 -12.434 -11.026 -12.648 321 HH21 ARG 43 HH21 ARG 43 -9.011 -11.407 -13.281 322 HH22 ARG 43 HH22 ARG 43 -10.610 -11.419 -13.962 323 H ASN 44 HN ASN 44 -6.609 -13.416 -9.308 324 HA ASN 44 HA ASN 44 -4.621 -13.125 -10.342 325 HB2 ASN 44 HB2 ASN 44 -5.608 -10.896 -10.821 326 HB3 ASN 44 HB1 ASN 44 -4.842 -10.268 -9.366 327 HD21 ASN 44 HD21 ASN 44 -2.677 -9.838 -9.366 328 HD22 ASN 44 HD22 ASN 44 -1.700 -9.869 -10.800 329 H LEU 45 HN LEU 45 -3.863 -14.545 -8.603 330 HA LEU 45 HA LEU 45 -2.195 -13.355 -6.568 331 HB2 LEU 45 HB2 LEU 45 -1.709 -15.583 -5.845 332 HB3 LEU 45 HB1 LEU 45 -3.425 -15.482 -6.175 333 HG LEU 45 HG LEU 45 -1.443 -16.669 -8.118 334 HD11 LEU 45 HD11 LEU 45 -1.383 -17.935 -6.052 335 HD12 LEU 45 HD12 LEU 45 -2.214 -18.851 -7.309 336 HD13 LEU 45 HD13 LEU 45 -3.143 -18.044 -6.044 337 HD21 LEU 45 HD21 LEU 45 -4.441 -16.937 -7.903 338 HD22 LEU 45 HD22 LEU 45 -3.406 -17.681 -9.122 339 HD23 LEU 45 HD23 LEU 45 -3.590 -15.928 -9.072 340 H GLU 46 HN GLU 46 -1.928 -14.202 -9.799 341 HA GLU 46 HA GLU 46 -0.271 -14.176 -11.324 342 HB2 GLU 46 HB2 GLU 46 0.386 -12.091 -10.013 343 HB3 GLU 46 HB1 GLU 46 1.577 -13.096 -9.200 344 HG2 GLU 46 HG2 GLU 46 2.620 -13.599 -11.351 345 HG3 GLU 46 HG1 GLU 46 1.430 -12.580 -12.159 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -24.128 2.508 -1.018 2 H2 GLY 1 HT2 GLY 1 -24.320 2.001 0.587 3 H3 GLY 1 HT3 GLY 1 -24.207 0.850 -0.657 4 HA2 GLY 1 HA1 GLY 1 -22.138 0.996 0.580 5 HA3 GLY 1 HA2 GLY 1 -21.941 1.473 -1.100 6 H SER 2 HN SER 2 -20.894 2.224 1.823 7 HA SER 2 HA SER 2 -20.627 5.078 1.150 8 HB2 SER 2 HB2 SER 2 -20.838 3.985 3.963 9 HB3 SER 2 HB1 SER 2 -20.805 5.678 3.476 10 HG SER 2 HG SER 2 -22.877 3.814 3.341 11 H LEU 3 HN LEU 3 -18.941 2.655 0.699 12 HA LEU 3 HA LEU 3 -16.775 2.803 2.568 13 HB2 LEU 3 HB2 LEU 3 -15.685 1.175 1.009 14 HB3 LEU 3 HB1 LEU 3 -17.211 0.671 1.704 15 HG LEU 3 HG LEU 3 -18.242 1.545 -0.496 16 HD11 LEU 3 HD11 LEU 3 -16.566 1.104 -2.393 17 HD12 LEU 3 HD12 LEU 3 -15.334 1.406 -1.160 18 HD13 LEU 3 HD13 LEU 3 -16.511 2.657 -1.559 19 HD21 LEU 3 HD21 LEU 3 -18.226 -0.783 0.166 20 HD22 LEU 3 HD22 LEU 3 -16.566 -0.954 -0.400 21 HD23 LEU 3 HD23 LEU 3 -17.861 -0.636 -1.554 22 H ASP 4 HN ASP 4 -17.648 4.644 -0.049 23 HA ASP 4 HA ASP 4 -15.204 5.219 -1.316 24 HB2 ASP 4 HB2 ASP 4 -17.536 7.097 -0.878 25 HB3 ASP 4 HB1 ASP 4 -16.311 7.220 -2.140 26 H GLU 5 HN GLU 5 -16.691 6.409 1.601 27 HA GLU 5 HA GLU 5 -15.176 8.636 2.206 28 HB2 GLU 5 HB2 GLU 5 -17.122 7.701 3.498 29 HB3 GLU 5 HB1 GLU 5 -16.024 6.512 4.182 30 HG2 GLU 5 HG2 GLU 5 -16.301 8.267 5.762 31 HG3 GLU 5 HG1 GLU 5 -14.670 8.379 5.103 32 H ASP 6 HN ASP 6 -14.495 5.272 3.138 33 HA ASP 6 HA ASP 6 -11.890 5.909 4.149 34 HB2 ASP 6 HB2 ASP 6 -13.201 3.250 3.564 35 HB3 ASP 6 HB1 ASP 6 -11.613 3.421 4.301 36 H GLU 7 HN GLU 7 -13.203 4.737 1.140 37 HA GLU 7 HA GLU 7 -11.046 3.462 0.011 38 HB2 GLU 7 HB2 GLU 7 -13.560 4.369 -0.856 39 HB3 GLU 7 HB1 GLU 7 -12.395 5.049 -1.986 40 HG2 GLU 7 HG2 GLU 7 -12.455 2.143 -1.241 41 HG3 GLU 7 HG1 GLU 7 -13.343 2.811 -2.609 42 H GLU 8 HN GLU 8 -11.876 6.890 -0.546 43 HA GLU 8 HA GLU 8 -9.596 7.471 -2.058 44 HB2 GLU 8 HB2 GLU 8 -11.241 9.354 -0.369 45 HB3 GLU 8 HB1 GLU 8 -10.140 9.821 -1.662 46 HG2 GLU 8 HG2 GLU 8 -11.575 8.398 -3.192 47 HG3 GLU 8 HG1 GLU 8 -12.747 8.349 -1.878 48 H ASP 9 HN ASP 9 -10.135 7.577 1.410 49 HA ASP 9 HA ASP 9 -7.722 8.985 2.014 50 HB2 ASP 9 HB2 ASP 9 -9.669 9.003 3.526 51 HB3 ASP 9 HB1 ASP 9 -9.467 7.275 3.800 52 H LEU 10 HN LEU 10 -8.705 5.583 2.150 53 HA LEU 10 HA LEU 10 -6.270 4.594 3.175 54 HB2 LEU 10 HB2 LEU 10 -8.535 3.449 3.124 55 HB3 LEU 10 HB1 LEU 10 -8.222 3.081 1.444 56 HG LEU 10 HG LEU 10 -7.794 1.225 3.105 57 HD11 LEU 10 HD11 LEU 10 -5.737 0.458 2.020 58 HD12 LEU 10 HD12 LEU 10 -5.494 2.074 1.354 59 HD13 LEU 10 HD13 LEU 10 -6.888 1.117 0.856 60 HD21 LEU 10 HD21 LEU 10 -5.737 1.278 4.369 61 HD22 LEU 10 HD22 LEU 10 -6.767 2.640 4.817 62 HD23 LEU 10 HD23 LEU 10 -5.378 2.896 3.762 63 H GLN 11 HN GLN 11 -7.499 4.869 -0.163 64 HA GLN 11 HA GLN 11 -5.257 3.682 -1.388 65 HB2 GLN 11 HB2 GLN 11 -6.068 4.564 -3.455 66 HB3 GLN 11 HB1 GLN 11 -7.466 4.107 -2.496 67 HG2 GLN 11 HG2 GLN 11 -7.688 6.499 -1.825 68 HG3 GLN 11 HG1 GLN 11 -6.417 6.879 -2.984 69 HE21 GLN 11 HE21 GLN 11 -8.883 4.433 -3.458 70 HE22 GLN 11 HE22 GLN 11 -9.710 5.245 -4.744 71 H ARG 12 HN ARG 12 -5.923 6.995 -0.378 72 HA ARG 12 HA ARG 12 -3.586 8.141 -1.487 73 HB2 ARG 12 HB2 ARG 12 -5.450 9.535 -0.762 74 HB3 ARG 12 HB1 ARG 12 -5.230 9.004 0.900 75 HG2 ARG 12 HG2 ARG 12 -4.332 11.248 0.513 76 HG3 ARG 12 HG1 ARG 12 -3.080 10.105 1.002 77 HD2 ARG 12 HD2 ARG 12 -2.429 9.838 -1.354 78 HD3 ARG 12 HD1 ARG 12 -3.656 11.020 -1.815 79 HE ARG 12 HE ARG 12 -1.798 12.009 0.136 80 HH11 ARG 12 HH11 ARG 12 -2.330 11.503 -3.292 81 HH12 ARG 12 HH12 ARG 12 -1.234 12.762 -3.773 82 HH21 ARG 12 HH21 ARG 12 -0.366 13.659 -0.486 83 HH22 ARG 12 HH22 ARG 12 -0.103 13.985 -2.175 84 H ALA 13 HN ALA 13 -4.293 6.740 1.694 85 HA ALA 13 HA ALA 13 -1.856 7.227 2.942 86 HB1 ALA 13 HB1 ALA 13 -2.422 5.394 4.439 87 HB2 ALA 13 HB2 ALA 13 -3.657 4.837 3.310 88 HB3 ALA 13 HB3 ALA 13 -3.836 6.396 4.114 89 H LEU 14 HN LEU 14 -2.766 4.636 0.717 90 HA LEU 14 HA LEU 14 -0.393 3.118 0.964 91 HB2 LEU 14 HB2 LEU 14 -2.240 3.420 -1.409 92 HB3 LEU 14 HB1 LEU 14 -0.988 2.196 -1.251 93 HG LEU 14 HG LEU 14 -3.321 2.442 0.648 94 HD11 LEU 14 HD11 LEU 14 -4.292 0.548 -0.544 95 HD12 LEU 14 HD12 LEU 14 -2.983 0.613 -1.722 96 HD13 LEU 14 HD13 LEU 14 -4.127 1.949 -1.602 97 HD21 LEU 14 HD21 LEU 14 -2.677 0.167 1.280 98 HD22 LEU 14 HD22 LEU 14 -1.362 1.308 1.561 99 HD23 LEU 14 HD23 LEU 14 -1.318 0.240 0.159 100 H ALA 15 HN ALA 15 -1.343 5.590 -1.418 101 HA ALA 15 HA ALA 15 1.111 5.766 -2.766 102 HB1 ALA 15 HB1 ALA 15 -0.555 8.204 -2.372 103 HB2 ALA 15 HB2 ALA 15 -1.245 6.832 -3.225 104 HB3 ALA 15 HB3 ALA 15 0.223 7.595 -3.837 105 H LEU 16 HN LEU 16 -0.152 7.421 0.037 106 HA LEU 16 HA LEU 16 1.850 9.240 0.603 107 HB2 LEU 16 HB2 LEU 16 -0.386 8.894 1.736 108 HB3 LEU 16 HB1 LEU 16 0.346 7.580 2.627 109 HG LEU 16 HG LEU 16 1.371 10.413 2.794 110 HD11 LEU 16 HD11 LEU 16 -0.493 9.081 4.743 111 HD12 LEU 16 HD12 LEU 16 -1.069 10.117 3.436 112 HD13 LEU 16 HD13 LEU 16 0.001 10.774 4.680 113 HD21 LEU 16 HD21 LEU 16 2.414 9.670 4.825 114 HD22 LEU 16 HD22 LEU 16 2.857 8.545 3.540 115 HD23 LEU 16 HD23 LEU 16 1.620 8.099 4.716 116 H SER 17 HN SER 17 1.566 5.904 1.814 117 HA SER 17 HA SER 17 4.022 5.874 3.172 118 HB2 SER 17 HB2 SER 17 2.536 3.512 1.994 119 HB3 SER 17 HB1 SER 17 3.717 3.464 3.303 120 HG SER 17 HG SER 17 1.126 4.617 3.315 121 H ARG 18 HN ARG 18 3.197 5.291 -0.156 122 HA ARG 18 HA ARG 18 5.587 4.023 -0.974 123 HB2 ARG 18 HB2 ARG 18 3.464 5.585 -2.413 124 HB3 ARG 18 HB1 ARG 18 4.906 5.042 -3.258 125 HG2 ARG 18 HG2 ARG 18 4.378 2.759 -2.851 126 HG3 ARG 18 HG1 ARG 18 3.070 3.200 -1.751 127 HD2 ARG 18 HD2 ARG 18 2.317 2.497 -4.025 128 HD3 ARG 18 HD1 ARG 18 1.769 4.098 -3.533 129 HE ARG 18 HE ARG 18 3.979 4.699 -4.910 130 HH11 ARG 18 HH11 ARG 18 1.359 2.502 -5.687 131 HH12 ARG 18 HH12 ARG 18 1.425 2.824 -7.397 132 HH21 ARG 18 HH21 ARG 18 4.092 5.091 -7.167 133 HH22 ARG 18 HH22 ARG 18 2.972 4.293 -8.234 134 H GLN 19 HN GLN 19 4.532 7.412 -1.316 135 HA GLN 19 HA GLN 19 7.006 8.315 -2.339 136 HB2 GLN 19 HB2 GLN 19 6.129 10.579 -1.959 137 HB3 GLN 19 HB1 GLN 19 4.940 9.542 -2.731 138 HG2 GLN 19 HG2 GLN 19 3.775 9.250 -0.642 139 HG3 GLN 19 HG1 GLN 19 5.007 10.180 0.208 140 HE21 GLN 19 HE21 GLN 19 2.144 10.633 -0.011 141 HE22 GLN 19 HE22 GLN 19 1.952 12.206 -0.693 142 H GLU 20 HN GLU 20 5.832 7.858 0.893 143 HA GLU 20 HA GLU 20 7.702 9.536 2.203 144 HB2 GLU 20 HB2 GLU 20 5.929 7.288 3.093 145 HB3 GLU 20 HB1 GLU 20 7.102 8.003 4.199 146 HG2 GLU 20 HG2 GLU 20 4.811 9.384 2.824 147 HG3 GLU 20 HG1 GLU 20 4.980 9.041 4.546 148 H ILE 21 HN ILE 21 7.740 6.070 1.392 149 HA ILE 21 HA ILE 21 10.255 5.662 2.699 150 HB ILE 21 HB ILE 21 8.947 3.924 0.608 151 HG12 ILE 21 HG12 ILE 21 7.580 4.226 2.644 152 HG13 ILE 21 HG11 ILE 21 8.170 2.574 2.485 153 HG21 ILE 21 HG21 ILE 21 10.984 3.041 2.620 154 HG22 ILE 21 HG22 ILE 21 11.489 3.737 1.079 155 HG23 ILE 21 HG23 ILE 21 10.507 2.264 1.108 156 HD11 ILE 21 HD11 ILE 21 9.224 4.716 4.312 157 HD12 ILE 21 HD12 ILE 21 9.974 3.139 4.082 158 HD13 ILE 21 HD13 ILE 21 8.353 3.251 4.769 159 H ASP 22 HN ASP 22 9.446 5.309 -0.738 160 HA ASP 22 HA ASP 22 10.524 5.811 -2.664 161 HB2 ASP 22 HB2 ASP 22 10.655 8.090 -1.940 162 HB3 ASP 22 HB1 ASP 22 12.011 7.737 -0.875 163 H MET 23 HN MET 23 12.651 5.284 0.067 164 HA MET 23 HA MET 23 15.021 4.579 -1.156 165 HB2 MET 23 HB2 MET 23 14.408 4.885 1.330 166 HB3 MET 23 HB1 MET 23 13.963 3.190 1.288 167 HG2 MET 23 HG2 MET 23 16.218 3.492 2.141 168 HG3 MET 23 HG1 MET 23 16.213 2.574 0.636 169 HE1 MET 23 HE1 MET 23 19.579 4.529 0.371 170 HE2 MET 23 HE2 MET 23 18.797 2.948 0.323 171 HE3 MET 23 HE3 MET 23 18.862 3.856 1.834 172 H GLU 24 HN GLU 24 15.197 3.159 -2.793 173 HA GLU 24 HA GLU 24 13.649 0.698 -2.789 174 HB2 GLU 24 HB2 GLU 24 15.674 1.758 -4.762 175 HB3 GLU 24 HB1 GLU 24 14.739 0.286 -4.980 176 HG2 GLU 24 HG2 GLU 24 12.672 1.708 -4.819 177 HG3 GLU 24 HG1 GLU 24 13.733 3.114 -4.894 178 H ASP 25 HN ASP 25 15.298 0.729 -0.621 179 HA ASP 25 HA ASP 25 17.486 -1.098 -1.366 180 HB2 ASP 25 HB2 ASP 25 18.070 1.051 -0.135 181 HB3 ASP 25 HB1 ASP 25 17.223 0.387 1.258 182 H GLU 26 HN GLU 26 16.909 -1.189 1.936 183 HA GLU 26 HA GLU 26 15.621 -3.779 1.746 184 HB2 GLU 26 HB2 GLU 26 17.484 -3.371 3.327 185 HB3 GLU 26 HB1 GLU 26 16.494 -2.189 4.168 186 HG2 GLU 26 HG2 GLU 26 14.927 -3.912 4.815 187 HG3 GLU 26 HG1 GLU 26 15.847 -5.115 3.910 188 H GLU 27 HN GLU 27 14.914 -0.526 2.836 189 HA GLU 27 HA GLU 27 12.352 -0.916 3.879 190 HB2 GLU 27 HB2 GLU 27 13.429 1.476 2.378 191 HB3 GLU 27 HB1 GLU 27 11.958 1.465 3.339 192 HG2 GLU 27 HG2 GLU 27 13.363 0.838 5.316 193 HG3 GLU 27 HG1 GLU 27 14.781 1.121 4.308 194 H ALA 28 HN ALA 28 13.498 -1.003 0.639 195 HA ALA 28 HA ALA 28 11.172 -0.414 -0.801 196 HB1 ALA 28 HB1 ALA 28 12.201 -1.579 -2.656 197 HB2 ALA 28 HB2 ALA 28 13.353 -2.348 -1.564 198 HB3 ALA 28 HB3 ALA 28 13.404 -0.603 -1.811 199 H ASP 29 HN ASP 29 11.934 -3.163 1.132 200 HA ASP 29 HA ASP 29 10.151 -4.981 -0.160 201 HB2 ASP 29 HB2 ASP 29 12.003 -5.699 1.361 202 HB3 ASP 29 HB1 ASP 29 11.083 -5.044 2.714 203 H LEU 30 HN LEU 30 9.876 -2.619 2.424 204 HA LEU 30 HA LEU 30 7.155 -3.215 3.058 205 HB2 LEU 30 HB2 LEU 30 8.825 -0.736 3.523 206 HB3 LEU 30 HB1 LEU 30 7.174 -0.908 4.084 207 HG LEU 30 HG LEU 30 8.532 -1.354 5.952 208 HD11 LEU 30 HD11 LEU 30 8.073 -3.682 6.494 209 HD12 LEU 30 HD12 LEU 30 7.747 -4.023 4.793 210 HD13 LEU 30 HD13 LEU 30 6.694 -2.928 5.689 211 HD21 LEU 30 HD21 LEU 30 10.663 -1.654 4.837 212 HD22 LEU 30 HD22 LEU 30 10.146 -3.224 4.220 213 HD23 LEU 30 HD23 LEU 30 10.368 -2.985 5.954 214 H ARG 31 HN ARG 31 8.826 -1.038 0.878 215 HA ARG 31 HA ARG 31 6.676 0.297 -0.287 216 HB2 ARG 31 HB2 ARG 31 8.944 0.901 -0.832 217 HB3 ARG 31 HB1 ARG 31 9.279 -0.708 -1.450 218 HG2 ARG 31 HG2 ARG 31 9.060 0.608 -3.350 219 HG3 ARG 31 HG1 ARG 31 7.499 -0.202 -3.212 220 HD2 ARG 31 HD2 ARG 31 6.530 1.786 -2.214 221 HD3 ARG 31 HD1 ARG 31 8.098 2.595 -2.255 222 HE ARG 31 HE ARG 31 6.911 1.661 -4.772 223 HH11 ARG 31 HH11 ARG 31 7.939 4.319 -2.728 224 HH12 ARG 31 HH12 ARG 31 7.774 5.506 -3.982 225 HH21 ARG 31 HH21 ARG 31 6.740 3.235 -6.428 226 HH22 ARG 31 HH22 ARG 31 7.105 4.897 -6.066 227 H ARG 32 HN ARG 32 8.129 -2.821 -1.081 228 HA ARG 32 HA ARG 32 6.470 -3.588 -3.190 229 HB2 ARG 32 HB2 ARG 32 8.607 -4.677 -2.488 230 HB3 ARG 32 HB1 ARG 32 7.759 -5.373 -1.117 231 HG2 ARG 32 HG2 ARG 32 6.271 -6.564 -2.694 232 HG3 ARG 32 HG1 ARG 32 7.239 -5.928 -4.029 233 HD2 ARG 32 HD2 ARG 32 9.242 -6.978 -2.928 234 HD3 ARG 32 HD1 ARG 32 8.125 -7.784 -1.826 235 HE ARG 32 HE ARG 32 7.354 -8.280 -4.492 236 HH11 ARG 32 HH11 ARG 32 9.798 -9.171 -2.146 237 HH12 ARG 32 HH12 ARG 32 10.197 -10.669 -2.933 238 HH21 ARG 32 HH21 ARG 32 7.884 -10.224 -5.546 239 HH22 ARG 32 HH22 ARG 32 9.109 -11.266 -4.877 240 H ALA 33 HN ALA 33 6.170 -4.166 0.293 241 HA ALA 33 HA ALA 33 3.865 -5.754 0.236 242 HB1 ALA 33 HB1 ALA 33 4.726 -3.857 2.418 243 HB2 ALA 33 HB2 ALA 33 5.339 -5.496 2.196 244 HB3 ALA 33 HB3 ALA 33 3.641 -5.236 2.588 245 H ILE 34 HN ILE 34 4.246 -2.240 0.296 246 HA ILE 34 HA ILE 34 1.494 -1.671 0.710 247 HB ILE 34 HB ILE 34 3.898 -0.083 0.062 248 HG12 ILE 34 HG12 ILE 34 2.988 1.373 1.794 249 HG13 ILE 34 HG11 ILE 34 1.474 0.479 1.781 250 HG21 ILE 34 HG21 ILE 34 2.610 1.915 -0.581 251 HG22 ILE 34 HG22 ILE 34 1.158 0.923 -0.690 252 HG23 ILE 34 HG23 ILE 34 2.507 0.633 -1.786 253 HD11 ILE 34 HD11 ILE 34 2.995 -0.045 3.679 254 HD12 ILE 34 HD12 ILE 34 4.117 -0.736 2.509 255 HD13 ILE 34 HD13 ILE 34 2.517 -1.441 2.714 256 H GLN 35 HN GLN 35 3.531 -2.057 -2.138 257 HA GLN 35 HA GLN 35 1.591 -1.286 -4.050 258 HB2 GLN 35 HB2 GLN 35 3.917 -3.197 -4.349 259 HB3 GLN 35 HB1 GLN 35 2.988 -2.522 -5.679 260 HG2 GLN 35 HG2 GLN 35 4.639 -0.937 -3.723 261 HG3 GLN 35 HG1 GLN 35 5.138 -1.399 -5.348 262 HE21 GLN 35 HE21 GLN 35 5.390 0.679 -6.055 263 HE22 GLN 35 HE22 GLN 35 4.055 1.749 -6.330 264 H LEU 36 HN LEU 36 2.323 -4.313 -2.446 265 HA LEU 36 HA LEU 36 0.582 -5.942 -3.988 266 HB2 LEU 36 HB2 LEU 36 2.412 -6.910 -2.749 267 HB3 LEU 36 HB1 LEU 36 1.825 -6.235 -1.248 268 HG LEU 36 HG LEU 36 1.531 -8.735 -1.616 269 HD11 LEU 36 HD11 LEU 36 -0.957 -8.504 -0.766 270 HD12 LEU 36 HD12 LEU 36 -0.500 -6.793 -0.683 271 HD13 LEU 36 HD13 LEU 36 0.417 -8.001 0.220 272 HD21 LEU 36 HD21 LEU 36 0.729 -8.690 -3.904 273 HD22 LEU 36 HD22 LEU 36 -0.676 -7.741 -3.416 274 HD23 LEU 36 HD23 LEU 36 -0.493 -9.401 -2.848 275 H SER 37 HN SER 37 0.281 -4.343 -0.827 276 HA SER 37 HA SER 37 -2.386 -5.037 -0.321 277 HB2 SER 37 HB2 SER 37 -0.743 -4.071 1.324 278 HB3 SER 37 HB1 SER 37 -1.003 -2.499 0.566 279 HG SER 37 HG SER 37 -3.348 -2.998 1.040 280 H MET 38 HN MET 38 -0.995 -2.347 -2.143 281 HA MET 38 HA MET 38 -3.300 -0.853 -2.588 282 HB2 MET 38 HB2 MET 38 -0.926 -0.219 -3.154 283 HB3 MET 38 HB1 MET 38 -1.049 -1.266 -4.562 284 HG2 MET 38 HG2 MET 38 -2.812 0.085 -5.473 285 HG3 MET 38 HG1 MET 38 -2.845 1.073 -4.011 286 HE1 MET 38 HE1 MET 38 -2.680 3.247 -5.549 287 HE2 MET 38 HE2 MET 38 -2.600 2.246 -6.999 288 HE3 MET 38 HE3 MET 38 -1.402 3.513 -6.732 289 H GLN 39 HN GLN 39 -2.054 -3.712 -4.205 290 HA GLN 39 HA GLN 39 -4.123 -3.850 -6.171 291 HB2 GLN 39 HB2 GLN 39 -2.216 -5.918 -5.081 292 HB3 GLN 39 HB1 GLN 39 -3.324 -6.219 -6.412 293 HG2 GLN 39 HG2 GLN 39 -2.193 -4.755 -7.835 294 HG3 GLN 39 HG1 GLN 39 -1.338 -3.978 -6.502 295 HE21 GLN 39 HE21 GLN 39 0.457 -4.942 -5.636 296 HE22 GLN 39 HE22 GLN 39 1.271 -6.277 -6.389 297 H GLY 40 HN GLY 40 -3.451 -5.977 -3.367 298 HA2 GLY 40 HA2 GLY 40 -4.867 -7.210 -2.028 299 HA3 GLY 40 HA1 GLY 40 -5.964 -5.845 -2.180 300 H SER 41 HN SER 41 -4.821 -8.044 -4.695 301 HA SER 41 HA SER 41 -7.576 -9.000 -5.050 302 HB2 SER 41 HB2 SER 41 -7.109 -8.852 -7.545 303 HB3 SER 41 HB1 SER 41 -7.285 -7.307 -6.714 304 HG SER 41 HG SER 41 -5.165 -8.288 -8.079 305 H SER 42 HN SER 42 -5.005 -10.139 -3.897 306 HA SER 42 HA SER 42 -4.576 -12.348 -5.782 307 HB2 SER 42 HB2 SER 42 -2.896 -11.446 -3.435 308 HB3 SER 42 HB1 SER 42 -2.507 -12.785 -4.516 309 HG SER 42 HG SER 42 -2.836 -10.075 -5.308 310 H ARG 43 HN ARG 43 -6.554 -13.354 -5.187 311 HA ARG 43 HA ARG 43 -6.967 -14.171 -2.454 312 HB2 ARG 43 HB2 ARG 43 -8.724 -13.621 -4.367 313 HB3 ARG 43 HB1 ARG 43 -8.535 -15.332 -4.718 314 HG2 ARG 43 HG2 ARG 43 -9.269 -14.271 -1.999 315 HG3 ARG 43 HG1 ARG 43 -10.453 -14.740 -3.217 316 HD2 ARG 43 HD2 ARG 43 -8.330 -16.561 -2.087 317 HD3 ARG 43 HD1 ARG 43 -10.002 -16.503 -1.532 318 HE ARG 43 HE ARG 43 -10.117 -16.921 -4.260 319 HH11 ARG 43 HH11 ARG 43 -8.816 -18.592 -1.468 320 HH12 ARG 43 HH12 ARG 43 -8.974 -20.172 -2.181 321 HH21 ARG 43 HH21 ARG 43 -10.342 -18.998 -5.182 322 HH22 ARG 43 HH22 ARG 43 -9.851 -20.401 -4.280 323 H ASN 44 HN ASN 44 -4.790 -15.239 -2.484 324 HA ASN 44 HA ASN 44 -5.400 -18.074 -2.593 325 HB2 ASN 44 HB2 ASN 44 -4.163 -17.463 -4.753 326 HB3 ASN 44 HB1 ASN 44 -2.756 -17.161 -3.735 327 HD21 ASN 44 HD21 ASN 44 -1.608 -18.857 -4.734 328 HD22 ASN 44 HD22 ASN 44 -1.961 -20.518 -4.377 329 H LEU 45 HN LEU 45 -4.720 -15.637 -0.816 330 HA LEU 45 HA LEU 45 -2.624 -16.880 0.807 331 HB2 LEU 45 HB2 LEU 45 -3.774 -14.096 0.751 332 HB3 LEU 45 HB1 LEU 45 -2.810 -14.664 2.097 333 HG LEU 45 HG LEU 45 -0.938 -15.095 0.477 334 HD11 LEU 45 HD11 LEU 45 -1.012 -13.965 -1.688 335 HD12 LEU 45 HD12 LEU 45 -2.703 -13.542 -1.411 336 HD13 LEU 45 HD13 LEU 45 -2.230 -15.232 -1.580 337 HD21 LEU 45 HD21 LEU 45 -0.983 -13.120 1.889 338 HD22 LEU 45 HD22 LEU 45 -1.956 -12.267 0.691 339 HD23 LEU 45 HD23 LEU 45 -0.301 -12.740 0.307 340 H GLU 46 HN GLU 46 -4.233 -18.531 1.296 341 HA GLU 46 HA GLU 46 -6.451 -17.756 3.000 342 HB2 GLU 46 HB2 GLU 46 -6.889 -20.277 2.944 343 HB3 GLU 46 HB1 GLU 46 -7.052 -19.401 1.427 344 HG2 GLU 46 HG2 GLU 46 -4.800 -20.137 0.781 345 HG3 GLU 46 HG1 GLU 46 -4.686 -21.052 2.283 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -14.138 -2.761 0.359 2 H2 GLY 1 HT2 GLY 1 -12.763 -2.305 -0.527 3 H3 GLY 1 HT3 GLY 1 -13.931 -1.145 -0.117 4 HA2 GLY 1 HA1 GLY 1 -12.194 -2.612 1.796 5 HA3 GLY 1 HA2 GLY 1 -11.989 -0.937 1.300 6 H SER 2 HN SER 2 -14.310 0.225 1.435 7 HA SER 2 HA SER 2 -15.856 -0.564 3.722 8 HB2 SER 2 HB2 SER 2 -13.955 0.498 4.850 9 HB3 SER 2 HB1 SER 2 -14.167 1.951 3.880 10 HG SER 2 HG SER 2 -15.615 2.585 5.246 11 H LEU 3 HN LEU 3 -15.388 2.792 2.699 12 HA LEU 3 HA LEU 3 -17.873 2.561 1.133 13 HB2 LEU 3 HB2 LEU 3 -16.879 4.801 2.877 14 HB3 LEU 3 HB1 LEU 3 -17.997 5.116 1.566 15 HG LEU 3 HG LEU 3 -19.570 3.456 2.649 16 HD11 LEU 3 HD11 LEU 3 -17.676 3.767 4.971 17 HD12 LEU 3 HD12 LEU 3 -17.940 2.289 4.045 18 HD13 LEU 3 HD13 LEU 3 -19.250 2.973 5.007 19 HD21 LEU 3 HD21 LEU 3 -19.917 5.844 2.819 20 HD22 LEU 3 HD22 LEU 3 -18.805 5.932 4.186 21 HD23 LEU 3 HD23 LEU 3 -20.330 5.059 4.344 22 H ASP 4 HN ASP 4 -15.992 5.464 1.158 23 HA ASP 4 HA ASP 4 -14.411 4.717 -1.157 24 HB2 ASP 4 HB2 ASP 4 -16.439 6.964 -1.201 25 HB3 ASP 4 HB1 ASP 4 -15.140 6.813 -2.375 26 H GLU 5 HN GLU 5 -15.440 7.432 0.904 27 HA GLU 5 HA GLU 5 -13.139 8.981 0.615 28 HB2 GLU 5 HB2 GLU 5 -15.248 9.774 1.633 29 HB3 GLU 5 HB1 GLU 5 -14.930 8.771 3.042 30 HG2 GLU 5 HG2 GLU 5 -12.910 10.059 3.505 31 HG3 GLU 5 HG1 GLU 5 -13.232 11.065 2.092 32 H ASP 6 HN ASP 6 -13.930 6.499 2.998 33 HA ASP 6 HA ASP 6 -11.451 6.644 4.376 34 HB2 ASP 6 HB2 ASP 6 -12.196 4.275 5.155 35 HB3 ASP 6 HB1 ASP 6 -13.120 5.679 5.666 36 H GLU 7 HN GLU 7 -12.677 4.761 1.701 37 HA GLU 7 HA GLU 7 -10.407 3.120 1.388 38 HB2 GLU 7 HB2 GLU 7 -12.602 3.971 -0.505 39 HB3 GLU 7 HB1 GLU 7 -11.271 2.924 -1.021 40 HG2 GLU 7 HG2 GLU 7 -11.884 1.448 0.964 41 HG3 GLU 7 HG1 GLU 7 -13.369 2.391 1.053 42 H GLU 8 HN GLU 8 -11.224 6.298 0.051 43 HA GLU 8 HA GLU 8 -8.878 6.604 -1.499 44 HB2 GLU 8 HB2 GLU 8 -10.744 8.622 -0.250 45 HB3 GLU 8 HB1 GLU 8 -9.389 9.079 -1.273 46 HG2 GLU 8 HG2 GLU 8 -10.353 7.772 -3.110 47 HG3 GLU 8 HG1 GLU 8 -11.727 7.369 -2.081 48 H ASP 9 HN ASP 9 -9.618 7.146 1.877 49 HA ASP 9 HA ASP 9 -7.216 8.475 2.570 50 HB2 ASP 9 HB2 ASP 9 -9.049 8.548 4.115 51 HB3 ASP 9 HB1 ASP 9 -9.118 6.791 4.206 52 H LEU 10 HN LEU 10 -8.173 5.073 2.657 53 HA LEU 10 HA LEU 10 -5.728 4.044 3.599 54 HB2 LEU 10 HB2 LEU 10 -8.011 2.899 3.437 55 HB3 LEU 10 HB1 LEU 10 -7.636 2.609 1.752 56 HG LEU 10 HG LEU 10 -7.234 0.688 3.351 57 HD11 LEU 10 HD11 LEU 10 -5.143 -0.000 2.289 58 HD12 LEU 10 HD12 LEU 10 -4.898 1.649 1.712 59 HD13 LEU 10 HD13 LEU 10 -6.265 0.703 1.123 60 HD21 LEU 10 HD21 LEU 10 -5.261 0.709 4.710 61 HD22 LEU 10 HD22 LEU 10 -6.256 2.105 5.133 62 HD23 LEU 10 HD23 LEU 10 -4.826 2.316 4.126 63 H GLN 11 HN GLN 11 -6.999 4.374 0.282 64 HA GLN 11 HA GLN 11 -4.692 3.463 -1.045 65 HB2 GLN 11 HB2 GLN 11 -6.849 5.377 -1.957 66 HB3 GLN 11 HB1 GLN 11 -5.614 4.710 -3.016 67 HG2 GLN 11 HG2 GLN 11 -7.465 2.965 -1.428 68 HG3 GLN 11 HG1 GLN 11 -7.889 3.584 -3.021 69 HE21 GLN 11 HE21 GLN 11 -8.019 1.436 -3.763 70 HE22 GLN 11 HE22 GLN 11 -6.585 0.531 -4.126 71 H ARG 12 HN ARG 12 -5.563 6.601 0.235 72 HA ARG 12 HA ARG 12 -3.478 8.105 -0.909 73 HB2 ARG 12 HB2 ARG 12 -5.362 9.194 0.197 74 HB3 ARG 12 HB1 ARG 12 -4.901 8.477 1.735 75 HG2 ARG 12 HG2 ARG 12 -4.257 10.831 1.578 76 HG3 ARG 12 HG1 ARG 12 -2.858 9.771 1.763 77 HD2 ARG 12 HD2 ARG 12 -2.354 11.434 0.107 78 HD3 ARG 12 HD1 ARG 12 -2.518 9.871 -0.689 79 HE ARG 12 HE ARG 12 -5.008 11.023 -0.864 80 HH11 ARG 12 HH11 ARG 12 -1.751 11.802 -1.880 81 HH12 ARG 12 HH12 ARG 12 -2.254 12.790 -3.221 82 HH21 ARG 12 HH21 ARG 12 -5.689 12.317 -2.630 83 HH22 ARG 12 HH22 ARG 12 -4.511 13.106 -3.629 84 H ALA 13 HN ALA 13 -3.712 6.566 2.298 85 HA ALA 13 HA ALA 13 -1.127 7.005 3.172 86 HB1 ALA 13 HB1 ALA 13 -1.438 5.032 4.602 87 HB2 ALA 13 HB2 ALA 13 -2.863 4.584 3.661 88 HB3 ALA 13 HB3 ALA 13 -2.860 6.077 4.602 89 H LEU 14 HN LEU 14 -2.349 4.497 1.005 90 HA LEU 14 HA LEU 14 0.051 3.008 0.850 91 HB2 LEU 14 HB2 LEU 14 -2.152 3.275 -1.200 92 HB3 LEU 14 HB1 LEU 14 -0.898 2.047 -1.207 93 HG LEU 14 HG LEU 14 -3.127 2.344 0.805 94 HD11 LEU 14 HD11 LEU 14 -2.482 0.225 -1.235 95 HD12 LEU 14 HD12 LEU 14 -3.816 1.374 -1.306 96 HD13 LEU 14 HD13 LEU 14 -3.783 0.138 -0.049 97 HD21 LEU 14 HD21 LEU 14 -2.240 0.322 1.845 98 HD22 LEU 14 HD22 LEU 14 -1.070 1.638 1.923 99 HD23 LEU 14 HD23 LEU 14 -0.867 0.347 0.739 100 H ALA 15 HN ALA 15 -1.338 5.443 -1.365 101 HA ALA 15 HA ALA 15 0.877 5.489 -3.130 102 HB1 ALA 15 HB1 ALA 15 -0.124 7.538 -4.018 103 HB2 ALA 15 HB2 ALA 15 -1.209 7.618 -2.631 104 HB3 ALA 15 HB3 ALA 15 -1.342 6.286 -3.782 105 H LEU 16 HN LEU 16 0.083 7.226 -0.218 106 HA LEU 16 HA LEU 16 2.079 9.187 -0.227 107 HB2 LEU 16 HB2 LEU 16 0.062 8.791 1.334 108 HB3 LEU 16 HB1 LEU 16 1.119 7.712 2.215 109 HG LEU 16 HG LEU 16 1.856 10.592 1.749 110 HD11 LEU 16 HD11 LEU 16 0.476 9.530 4.202 111 HD12 LEU 16 HD12 LEU 16 -0.416 10.260 2.868 112 HD13 LEU 16 HD13 LEU 16 0.782 11.209 3.754 113 HD21 LEU 16 HD21 LEU 16 3.353 10.265 3.547 114 HD22 LEU 16 HD22 LEU 16 3.532 8.837 2.521 115 HD23 LEU 16 HD23 LEU 16 2.588 8.746 4.009 116 H SER 17 HN SER 17 2.056 5.967 1.260 117 HA SER 17 HA SER 17 4.713 5.842 2.062 118 HB2 SER 17 HB2 SER 17 2.905 3.598 1.136 119 HB3 SER 17 HB1 SER 17 4.395 3.390 2.058 120 HG SER 17 HG SER 17 1.987 4.657 2.876 121 H ARG 18 HN ARG 18 3.309 5.469 -1.093 122 HA ARG 18 HA ARG 18 5.499 4.144 -2.339 123 HB2 ARG 18 HB2 ARG 18 3.331 5.874 -3.547 124 HB3 ARG 18 HB1 ARG 18 4.467 4.903 -4.469 125 HG2 ARG 18 HG2 ARG 18 2.435 3.842 -2.518 126 HG3 ARG 18 HG1 ARG 18 2.288 3.830 -4.276 127 HD2 ARG 18 HD2 ARG 18 4.351 2.381 -2.620 128 HD3 ARG 18 HD1 ARG 18 3.009 1.662 -3.509 129 HE ARG 18 HE ARG 18 4.252 2.832 -5.507 130 HH11 ARG 18 HH11 ARG 18 5.604 0.970 -2.856 131 HH12 ARG 18 HH12 ARG 18 7.052 0.552 -3.728 132 HH21 ARG 18 HH21 ARG 18 6.156 2.287 -6.637 133 HH22 ARG 18 HH22 ARG 18 7.369 1.314 -5.862 134 H GLN 19 HN GLN 19 4.429 7.544 -2.372 135 HA GLN 19 HA GLN 19 6.687 8.423 -3.851 136 HB2 GLN 19 HB2 GLN 19 5.923 10.721 -3.195 137 HB3 GLN 19 HB1 GLN 19 4.708 9.736 -3.996 138 HG2 GLN 19 HG2 GLN 19 3.634 9.276 -1.887 139 HG3 GLN 19 HG1 GLN 19 4.903 10.150 -1.025 140 HE21 GLN 19 HE21 GLN 19 2.147 10.446 -3.145 141 HE22 GLN 19 HE22 GLN 19 1.913 12.148 -2.910 142 H GLU 20 HN GLU 20 6.084 7.992 -0.443 143 HA GLU 20 HA GLU 20 8.144 9.560 0.613 144 HB2 GLU 20 HB2 GLU 20 6.819 7.034 1.539 145 HB3 GLU 20 HB1 GLU 20 8.176 7.704 2.433 146 HG2 GLU 20 HG2 GLU 20 6.856 9.858 2.548 147 HG3 GLU 20 HG1 GLU 20 5.480 8.926 1.955 148 H ILE 21 HN ILE 21 8.218 6.111 -0.287 149 HA ILE 21 HA ILE 21 11.156 6.286 -0.193 150 HB ILE 21 HB ILE 21 9.468 3.870 0.461 151 HG12 ILE 21 HG12 ILE 21 9.410 5.646 2.187 152 HG13 ILE 21 HG11 ILE 21 10.208 4.181 2.753 153 HG21 ILE 21 HG21 ILE 21 12.455 4.252 0.594 154 HG22 ILE 21 HG22 ILE 21 11.591 3.269 -0.590 155 HG23 ILE 21 HG23 ILE 21 11.573 2.818 1.116 156 HD11 ILE 21 HD11 ILE 21 11.491 6.760 1.904 157 HD12 ILE 21 HD12 ILE 21 12.380 5.273 2.225 158 HD13 ILE 21 HD13 ILE 21 11.461 6.045 3.519 159 H ASP 22 HN ASP 22 8.890 3.829 -1.402 160 HA ASP 22 HA ASP 22 9.023 2.451 -3.195 161 HB2 ASP 22 HB2 ASP 22 8.170 4.417 -4.368 162 HB3 ASP 22 HB1 ASP 22 9.811 5.006 -4.608 163 H MET 23 HN MET 23 10.656 1.142 -2.524 164 HA MET 23 HA MET 23 13.119 1.186 -3.959 165 HB2 MET 23 HB2 MET 23 13.249 2.884 -1.912 166 HB3 MET 23 HB1 MET 23 13.497 1.410 -0.992 167 HG2 MET 23 HG2 MET 23 15.441 0.871 -2.320 168 HG3 MET 23 HG1 MET 23 15.168 2.291 -3.329 169 HE1 MET 23 HE1 MET 23 15.806 5.217 -0.790 170 HE2 MET 23 HE2 MET 23 14.251 4.446 -1.103 171 HE3 MET 23 HE3 MET 23 15.348 4.791 -2.440 172 H GLU 24 HN GLU 24 14.602 -0.646 -2.656 173 HA GLU 24 HA GLU 24 12.712 -2.723 -1.808 174 HB2 GLU 24 HB2 GLU 24 14.724 -2.896 -4.025 175 HB3 GLU 24 HB1 GLU 24 14.215 -4.341 -3.159 176 HG2 GLU 24 HG2 GLU 24 11.944 -4.026 -3.812 177 HG3 GLU 24 HG1 GLU 24 12.302 -2.435 -4.478 178 H ASP 25 HN ASP 25 13.781 -1.635 0.164 179 HA ASP 25 HA ASP 25 15.976 -3.414 0.979 180 HB2 ASP 25 HB2 ASP 25 16.477 -1.767 2.773 181 HB3 ASP 25 HB1 ASP 25 16.710 -1.112 1.156 182 H GLU 26 HN GLU 26 15.661 -3.015 3.763 183 HA GLU 26 HA GLU 26 13.862 -5.096 4.282 184 HB2 GLU 26 HB2 GLU 26 15.033 -3.096 6.221 185 HB3 GLU 26 HB1 GLU 26 14.264 -4.615 6.663 186 HG2 GLU 26 HG2 GLU 26 16.794 -4.294 5.062 187 HG3 GLU 26 HG1 GLU 26 16.667 -4.824 6.738 188 H GLU 27 HN GLU 27 13.517 -1.604 5.020 189 HA GLU 27 HA GLU 27 10.802 -2.054 5.936 190 HB2 GLU 27 HB2 GLU 27 12.466 0.443 5.681 191 HB3 GLU 27 HB1 GLU 27 10.781 0.460 6.188 192 HG2 GLU 27 HG2 GLU 27 11.410 -1.098 8.033 193 HG3 GLU 27 HG1 GLU 27 13.095 -0.856 7.574 194 H ALA 28 HN ALA 28 12.467 -0.901 3.133 195 HA ALA 28 HA ALA 28 10.281 0.249 1.789 196 HB1 ALA 28 HB1 ALA 28 12.564 0.641 1.113 197 HB2 ALA 28 HB2 ALA 28 11.655 -0.067 -0.212 198 HB3 ALA 28 HB3 ALA 28 12.764 -1.062 0.711 199 H ASP 29 HN ASP 29 11.230 -3.049 2.326 200 HA ASP 29 HA ASP 29 9.744 -4.337 0.328 201 HB2 ASP 29 HB2 ASP 29 11.286 -5.618 1.657 202 HB3 ASP 29 HB1 ASP 29 10.437 -5.199 3.143 203 H LEU 30 HN LEU 30 8.808 -3.042 3.465 204 HA LEU 30 HA LEU 30 6.132 -3.952 3.421 205 HB2 LEU 30 HB2 LEU 30 7.445 -1.615 4.797 206 HB3 LEU 30 HB1 LEU 30 5.728 -1.926 4.937 207 HG LEU 30 HG LEU 30 6.315 -4.201 5.870 208 HD11 LEU 30 HD11 LEU 30 9.067 -2.989 6.041 209 HD12 LEU 30 HD12 LEU 30 8.593 -4.359 5.039 210 HD13 LEU 30 HD13 LEU 30 8.551 -4.498 6.797 211 HD21 LEU 30 HD21 LEU 30 5.589 -2.374 7.293 212 HD22 LEU 30 HD22 LEU 30 7.240 -1.761 7.379 213 HD23 LEU 30 HD23 LEU 30 6.841 -3.321 8.098 214 H ARG 31 HN ARG 31 7.727 -1.067 2.189 215 HA ARG 31 HA ARG 31 5.399 0.272 1.293 216 HB2 ARG 31 HB2 ARG 31 8.143 0.488 0.049 217 HB3 ARG 31 HB1 ARG 31 6.873 1.702 0.067 218 HG2 ARG 31 HG2 ARG 31 8.320 0.727 2.518 219 HG3 ARG 31 HG1 ARG 31 8.755 2.174 1.609 220 HD2 ARG 31 HD2 ARG 31 6.553 3.124 2.058 221 HD3 ARG 31 HD1 ARG 31 6.103 1.671 2.947 222 HE ARG 31 HE ARG 31 8.119 2.328 4.410 223 HH11 ARG 31 HH11 ARG 31 5.942 4.567 2.854 224 HH12 ARG 31 HH12 ARG 31 6.160 5.827 4.030 225 HH21 ARG 31 HH21 ARG 31 8.433 3.965 5.976 226 HH22 ARG 31 HH22 ARG 31 7.604 5.488 5.799 227 H ARG 32 HN ARG 32 7.463 -2.186 -0.083 228 HA ARG 32 HA ARG 32 6.351 -2.158 -2.702 229 HB2 ARG 32 HB2 ARG 32 8.559 -3.115 -2.246 230 HB3 ARG 32 HB1 ARG 32 7.834 -4.340 -1.213 231 HG2 ARG 32 HG2 ARG 32 6.759 -5.372 -3.085 232 HG3 ARG 32 HG1 ARG 32 7.243 -4.050 -4.151 233 HD2 ARG 32 HD2 ARG 32 8.645 -6.056 -4.428 234 HD3 ARG 32 HD1 ARG 32 9.568 -4.650 -3.905 235 HE ARG 32 HE ARG 32 8.855 -6.033 -1.612 236 HH11 ARG 32 HH11 ARG 32 10.732 -6.668 -4.497 237 HH12 ARG 32 HH12 ARG 32 11.864 -7.711 -3.685 238 HH21 ARG 32 HH21 ARG 32 10.326 -7.412 -0.538 239 HH22 ARG 32 HH22 ARG 32 11.624 -8.149 -1.439 240 H ALA 33 HN ALA 33 5.583 -3.845 0.294 241 HA ALA 33 HA ALA 33 3.577 -5.540 -0.763 242 HB1 ALA 33 HB1 ALA 33 3.793 -4.415 2.029 243 HB2 ALA 33 HB2 ALA 33 4.582 -5.882 1.450 244 HB3 ALA 33 HB3 ALA 33 2.821 -5.802 1.533 245 H ILE 34 HN ILE 34 3.626 -2.226 0.315 246 HA ILE 34 HA ILE 34 0.845 -1.721 0.269 247 HB ILE 34 HB ILE 34 3.319 -0.087 0.328 248 HG12 ILE 34 HG12 ILE 34 2.066 1.096 2.110 249 HG13 ILE 34 HG11 ILE 34 0.669 0.085 1.774 250 HG21 ILE 34 HG21 ILE 34 2.166 2.013 -0.125 251 HG22 ILE 34 HG22 ILE 34 0.715 1.121 -0.582 252 HG23 ILE 34 HG23 ILE 34 2.186 0.964 -1.543 253 HD11 ILE 34 HD11 ILE 34 3.335 -0.842 2.802 254 HD12 ILE 34 HD12 ILE 34 1.967 -1.888 2.429 255 HD13 ILE 34 HD13 ILE 34 1.841 -0.699 3.725 256 H GLN 35 HN GLN 35 3.387 -1.631 -2.146 257 HA GLN 35 HA GLN 35 1.809 -0.597 -4.271 258 HB2 GLN 35 HB2 GLN 35 4.306 -0.660 -4.251 259 HB3 GLN 35 HB1 GLN 35 4.229 -2.403 -4.456 260 HG2 GLN 35 HG2 GLN 35 2.990 -2.016 -6.587 261 HG3 GLN 35 HG1 GLN 35 3.311 -0.295 -6.389 262 HE21 GLN 35 HE21 GLN 35 4.530 -0.162 -8.244 263 HE22 GLN 35 HE22 GLN 35 6.116 -0.857 -8.375 264 H LEU 36 HN LEU 36 2.452 -3.820 -3.043 265 HA LEU 36 HA LEU 36 1.249 -5.282 -5.122 266 HB2 LEU 36 HB2 LEU 36 2.782 -6.334 -3.614 267 HB3 LEU 36 HB1 LEU 36 1.824 -5.888 -2.223 268 HG LEU 36 HG LEU 36 1.807 -8.332 -2.939 269 HD11 LEU 36 HD11 LEU 36 -0.829 -8.314 -2.682 270 HD12 LEU 36 HD12 LEU 36 -0.505 -6.623 -2.254 271 HD13 LEU 36 HD13 LEU 36 0.257 -7.933 -1.344 272 HD21 LEU 36 HD21 LEU 36 0.212 -8.958 -4.677 273 HD22 LEU 36 HD22 LEU 36 1.527 -7.988 -5.342 274 HD23 LEU 36 HD23 LEU 36 -0.052 -7.256 -5.058 275 H SER 37 HN SER 37 -0.008 -4.114 -2.001 276 HA SER 37 HA SER 37 -2.583 -5.183 -2.280 277 HB2 SER 37 HB2 SER 37 -3.185 -3.362 -0.572 278 HB3 SER 37 HB1 SER 37 -1.963 -4.546 -0.109 279 HG SER 37 HG SER 37 -1.182 -2.121 -1.309 280 H MET 38 HN MET 38 -1.165 -2.618 -3.991 281 HA MET 38 HA MET 38 -3.582 -1.156 -4.515 282 HB2 MET 38 HB2 MET 38 -0.858 -1.172 -5.793 283 HB3 MET 38 HB1 MET 38 -2.187 -0.245 -6.472 284 HG2 MET 38 HG2 MET 38 -2.391 0.936 -4.298 285 HG3 MET 38 HG1 MET 38 -0.946 0.081 -3.755 286 HE1 MET 38 HE1 MET 38 -0.051 2.585 -3.199 287 HE2 MET 38 HE2 MET 38 -1.462 3.328 -3.952 288 HE3 MET 38 HE3 MET 38 0.162 3.831 -4.428 289 H GLN 39 HN GLN 39 -1.971 -3.921 -5.848 290 HA GLN 39 HA GLN 39 -4.065 -4.119 -7.907 291 HB2 GLN 39 HB2 GLN 39 -1.151 -4.829 -8.188 292 HB3 GLN 39 HB1 GLN 39 -2.383 -5.229 -9.374 293 HG2 GLN 39 HG2 GLN 39 -2.785 -2.908 -9.818 294 HG3 GLN 39 HG1 GLN 39 -1.697 -2.426 -8.517 295 HE21 GLN 39 HE21 GLN 39 -0.420 -1.229 -9.923 296 HE22 GLN 39 HE22 GLN 39 0.680 -1.988 -11.033 297 H GLY 40 HN GLY 40 -5.211 -5.413 -6.406 298 HA2 GLY 40 HA2 GLY 40 -4.084 -7.862 -5.402 299 HA3 GLY 40 HA1 GLY 40 -5.769 -7.368 -5.297 300 H SER 41 HN SER 41 -3.389 -8.381 -7.728 301 HA SER 41 HA SER 41 -5.327 -10.291 -8.772 302 HB2 SER 41 HB2 SER 41 -5.602 -8.150 -10.062 303 HB3 SER 41 HB1 SER 41 -3.925 -8.306 -10.582 304 HG SER 41 HG SER 41 -4.612 -9.570 -12.090 305 H SER 42 HN SER 42 -3.439 -11.242 -7.356 306 HA SER 42 HA SER 42 -1.027 -11.797 -8.835 307 HB2 SER 42 HB2 SER 42 -2.108 -13.195 -6.373 308 HB3 SER 42 HB1 SER 42 -0.440 -13.193 -6.947 309 HG SER 42 HG SER 42 -0.214 -11.108 -6.328 310 H ARG 43 HN ARG 43 -1.353 -12.941 -10.685 311 HA ARG 43 HA ARG 43 -2.711 -15.517 -10.496 312 HB2 ARG 43 HB2 ARG 43 -4.143 -15.017 -12.451 313 HB3 ARG 43 HB1 ARG 43 -4.529 -14.016 -11.055 314 HG2 ARG 43 HG2 ARG 43 -3.286 -12.155 -12.046 315 HG3 ARG 43 HG1 ARG 43 -2.888 -13.165 -13.437 316 HD2 ARG 43 HD2 ARG 43 -5.671 -12.398 -12.570 317 HD3 ARG 43 HD1 ARG 43 -4.772 -11.656 -13.893 318 HE ARG 43 HE ARG 43 -4.750 -14.062 -14.810 319 HH11 ARG 43 HH11 ARG 43 -7.372 -12.654 -12.952 320 HH12 ARG 43 HH12 ARG 43 -8.589 -13.636 -13.713 321 HH21 ARG 43 HH21 ARG 43 -6.340 -15.341 -15.793 322 HH22 ARG 43 HH22 ARG 43 -8.004 -15.171 -15.313 323 H ASN 44 HN ASN 44 0.051 -14.382 -11.124 324 HA ASN 44 HA ASN 44 0.498 -16.058 -13.458 325 HB2 ASN 44 HB2 ASN 44 0.049 -13.801 -14.398 326 HB3 ASN 44 HB1 ASN 44 1.402 -13.170 -13.464 327 HD21 ASN 44 HD21 ASN 44 0.453 -15.227 -16.113 328 HD22 ASN 44 HD22 ASN 44 2.016 -15.309 -16.865 329 H LEU 45 HN LEU 45 2.381 -13.553 -11.745 330 HA LEU 45 HA LEU 45 4.648 -15.314 -11.587 331 HB2 LEU 45 HB2 LEU 45 4.198 -12.635 -10.261 332 HB3 LEU 45 HB1 LEU 45 5.733 -13.470 -10.405 333 HG LEU 45 HG LEU 45 4.117 -12.398 -12.719 334 HD11 LEU 45 HD11 LEU 45 5.872 -10.726 -12.902 335 HD12 LEU 45 HD12 LEU 45 6.665 -11.385 -11.471 336 HD13 LEU 45 HD13 LEU 45 5.078 -10.626 -11.330 337 HD21 LEU 45 HD21 LEU 45 6.872 -13.616 -12.619 338 HD22 LEU 45 HD22 LEU 45 6.099 -12.915 -14.042 339 HD23 LEU 45 HD23 LEU 45 5.432 -14.370 -13.302 340 H GLU 46 HN GLU 46 2.752 -13.597 -9.120 341 HA GLU 46 HA GLU 46 3.446 -15.690 -7.199 342 HB2 GLU 46 HB2 GLU 46 2.409 -12.887 -6.897 343 HB3 GLU 46 HB1 GLU 46 2.330 -14.040 -5.570 344 HG2 GLU 46 HG2 GLU 46 4.821 -13.108 -6.982 345 HG3 GLU 46 HG1 GLU 46 4.295 -12.649 -5.363 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -19.063 7.542 0.305 2 H2 GLY 1 HT2 GLY 1 -20.681 7.693 -0.180 3 H3 GLY 1 HT3 GLY 1 -19.917 6.180 -0.236 4 HA2 GLY 1 HA1 GLY 1 -20.436 7.728 2.242 5 HA3 GLY 1 HA2 GLY 1 -21.445 6.408 1.664 6 H SER 2 HN SER 2 -20.237 4.324 1.246 7 HA SER 2 HA SER 2 -18.267 3.945 3.408 8 HB2 SER 2 HB2 SER 2 -20.595 2.949 3.758 9 HB3 SER 2 HB1 SER 2 -20.215 1.846 2.435 10 HG SER 2 HG SER 2 -18.657 2.155 4.800 11 H LEU 3 HN LEU 3 -17.250 1.586 2.975 12 HA LEU 3 HA LEU 3 -15.731 0.408 1.791 13 HB2 LEU 3 HB2 LEU 3 -17.723 1.052 -0.356 14 HB3 LEU 3 HB1 LEU 3 -16.240 0.207 -0.750 15 HG LEU 3 HG LEU 3 -16.872 -1.571 0.868 16 HD11 LEU 3 HD11 LEU 3 -18.356 -0.234 2.291 17 HD12 LEU 3 HD12 LEU 3 -19.145 -1.695 1.697 18 HD13 LEU 3 HD13 LEU 3 -19.515 -0.134 0.967 19 HD21 LEU 3 HD21 LEU 3 -17.313 -1.814 -1.514 20 HD22 LEU 3 HD22 LEU 3 -18.872 -1.012 -1.315 21 HD23 LEU 3 HD23 LEU 3 -18.580 -2.577 -0.555 22 H ASP 4 HN ASP 4 -16.284 2.350 -1.038 23 HA ASP 4 HA ASP 4 -13.612 2.792 -1.607 24 HB2 ASP 4 HB2 ASP 4 -15.873 4.657 -2.376 25 HB3 ASP 4 HB1 ASP 4 -14.337 4.469 -3.207 26 H GLU 5 HN GLU 5 -15.843 4.795 0.225 27 HA GLU 5 HA GLU 5 -14.523 7.200 0.284 28 HB2 GLU 5 HB2 GLU 5 -16.742 6.192 1.471 29 HB3 GLU 5 HB1 GLU 5 -15.678 6.347 2.863 30 HG2 GLU 5 HG2 GLU 5 -16.942 8.345 2.690 31 HG3 GLU 5 HG1 GLU 5 -15.282 8.706 2.207 32 H ASP 6 HN ASP 6 -14.262 4.675 2.756 33 HA ASP 6 HA ASP 6 -12.012 5.867 4.033 34 HB2 ASP 6 HB2 ASP 6 -13.000 3.015 4.275 35 HB3 ASP 6 HB1 ASP 6 -11.960 3.871 5.409 36 H GLU 7 HN GLU 7 -12.457 3.497 1.516 37 HA GLU 7 HA GLU 7 -9.885 2.328 1.633 38 HB2 GLU 7 HB2 GLU 7 -11.991 2.422 -0.523 39 HB3 GLU 7 HB1 GLU 7 -10.430 1.637 -0.774 40 HG2 GLU 7 HG2 GLU 7 -10.868 0.213 1.192 41 HG3 GLU 7 HG1 GLU 7 -12.465 0.947 1.329 42 H GLU 8 HN GLU 8 -11.162 5.033 -0.274 43 HA GLU 8 HA GLU 8 -8.866 5.511 -1.819 44 HB2 GLU 8 HB2 GLU 8 -10.957 7.431 -0.794 45 HB3 GLU 8 HB1 GLU 8 -9.725 7.856 -1.974 46 HG2 GLU 8 HG2 GLU 8 -10.617 6.311 -3.558 47 HG3 GLU 8 HG1 GLU 8 -11.742 5.663 -2.362 48 H ASP 9 HN ASP 9 -9.797 6.567 1.397 49 HA ASP 9 HA ASP 9 -7.621 8.310 1.856 50 HB2 ASP 9 HB2 ASP 9 -9.639 8.359 3.238 51 HB3 ASP 9 HB1 ASP 9 -9.303 6.729 3.812 52 H LEU 10 HN LEU 10 -8.113 4.867 2.526 53 HA LEU 10 HA LEU 10 -5.631 4.403 3.771 54 HB2 LEU 10 HB2 LEU 10 -7.465 2.564 2.284 55 HB3 LEU 10 HB1 LEU 10 -6.036 2.027 3.145 56 HG LEU 10 HG LEU 10 -8.490 3.318 4.333 57 HD11 LEU 10 HD11 LEU 10 -7.456 0.752 5.293 58 HD12 LEU 10 HD12 LEU 10 -8.025 0.766 3.631 59 HD13 LEU 10 HD13 LEU 10 -9.112 1.253 4.933 60 HD21 LEU 10 HD21 LEU 10 -6.564 4.180 5.500 61 HD22 LEU 10 HD22 LEU 10 -5.869 2.564 5.617 62 HD23 LEU 10 HD23 LEU 10 -7.340 2.957 6.507 63 H GLN 11 HN GLN 11 -6.651 4.020 0.387 64 HA GLN 11 HA GLN 11 -4.122 3.126 -0.528 65 HB2 GLN 11 HB2 GLN 11 -6.364 4.460 -2.054 66 HB3 GLN 11 HB1 GLN 11 -4.976 3.668 -2.789 67 HG2 GLN 11 HG2 GLN 11 -5.660 1.554 -1.707 68 HG3 GLN 11 HG1 GLN 11 -7.099 2.367 -1.099 69 HE21 GLN 11 HE21 GLN 11 -5.697 2.956 -4.252 70 HE22 GLN 11 HE22 GLN 11 -6.988 2.258 -5.167 71 H ARG 12 HN ARG 12 -5.482 6.294 0.036 72 HA ARG 12 HA ARG 12 -3.520 7.800 -1.315 73 HB2 ARG 12 HB2 ARG 12 -5.610 8.788 -0.440 74 HB3 ARG 12 HB1 ARG 12 -5.025 8.541 1.199 75 HG2 ARG 12 HG2 ARG 12 -4.745 10.858 0.455 76 HG3 ARG 12 HG1 ARG 12 -3.197 10.090 0.817 77 HD2 ARG 12 HD2 ARG 12 -3.172 11.452 -1.260 78 HD3 ARG 12 HD1 ARG 12 -2.748 9.759 -1.521 79 HE ARG 12 HE ARG 12 -5.501 10.699 -1.997 80 HH11 ARG 12 HH11 ARG 12 -2.490 9.375 -3.224 81 HH12 ARG 12 HH12 ARG 12 -3.195 8.821 -4.717 82 HH21 ARG 12 HH21 ARG 12 -6.431 9.963 -3.953 83 HH22 ARG 12 HH22 ARG 12 -5.443 9.110 -5.104 84 H ALA 13 HN ALA 13 -3.705 6.634 2.034 85 HA ALA 13 HA ALA 13 -1.233 7.565 2.930 86 HB1 ALA 13 HB1 ALA 13 -1.359 5.709 4.579 87 HB2 ALA 13 HB2 ALA 13 -2.754 5.073 3.702 88 HB3 ALA 13 HB3 ALA 13 -2.841 6.659 4.472 89 H LEU 14 HN LEU 14 -2.074 4.661 1.118 90 HA LEU 14 HA LEU 14 0.429 3.395 1.107 91 HB2 LEU 14 HB2 LEU 14 -2.006 3.331 -0.586 92 HB3 LEU 14 HB1 LEU 14 -0.534 2.735 -1.327 93 HG LEU 14 HG LEU 14 -0.328 0.976 0.243 94 HD11 LEU 14 HD11 LEU 14 -2.532 2.320 1.792 95 HD12 LEU 14 HD12 LEU 14 -0.849 2.110 2.279 96 HD13 LEU 14 HD13 LEU 14 -1.905 0.707 2.128 97 HD21 LEU 14 HD21 LEU 14 -2.465 -0.203 -0.014 98 HD22 LEU 14 HD22 LEU 14 -1.949 0.579 -1.507 99 HD23 LEU 14 HD23 LEU 14 -3.221 1.306 -0.527 100 H ALA 15 HN ALA 15 -0.977 5.622 -1.302 101 HA ALA 15 HA ALA 15 1.416 5.732 -2.848 102 HB1 ALA 15 HB1 ALA 15 0.300 7.478 -4.121 103 HB2 ALA 15 HB2 ALA 15 -0.948 7.609 -2.881 104 HB3 ALA 15 HB3 ALA 15 -0.797 6.129 -3.830 105 H LEU 16 HN LEU 16 0.122 7.591 -0.198 106 HA LEU 16 HA LEU 16 1.839 9.797 -0.292 107 HB2 LEU 16 HB2 LEU 16 -0.196 9.490 1.142 108 HB3 LEU 16 HB1 LEU 16 0.732 8.401 2.148 109 HG LEU 16 HG LEU 16 1.653 11.228 1.743 110 HD11 LEU 16 HD11 LEU 16 0.357 11.596 3.954 111 HD12 LEU 16 HD12 LEU 16 -0.601 10.206 3.423 112 HD13 LEU 16 HD13 LEU 16 -0.524 11.659 2.427 113 HD21 LEU 16 HD21 LEU 16 2.600 10.884 3.968 114 HD22 LEU 16 HD22 LEU 16 3.155 9.630 2.858 115 HD23 LEU 16 HD23 LEU 16 1.889 9.271 4.031 116 H SER 17 HN SER 17 2.139 6.719 1.473 117 HA SER 17 HA SER 17 4.706 7.250 2.500 118 HB2 SER 17 HB2 SER 17 3.067 5.497 3.315 119 HB3 SER 17 HB1 SER 17 3.549 4.515 1.932 120 HG SER 17 HG SER 17 5.293 5.499 3.957 121 H ARG 18 HN ARG 18 3.618 6.016 -0.577 122 HA ARG 18 HA ARG 18 6.137 4.850 -1.291 123 HB2 ARG 18 HB2 ARG 18 5.136 4.119 -3.228 124 HB3 ARG 18 HB1 ARG 18 3.709 4.343 -2.224 125 HG2 ARG 18 HG2 ARG 18 3.244 6.455 -3.284 126 HG3 ARG 18 HG1 ARG 18 4.735 6.348 -4.222 127 HD2 ARG 18 HD2 ARG 18 3.894 4.341 -5.332 128 HD3 ARG 18 HD1 ARG 18 2.414 4.430 -4.382 129 HE ARG 18 HE ARG 18 2.416 6.819 -5.582 130 HH11 ARG 18 HH11 ARG 18 2.918 3.586 -6.856 131 HH12 ARG 18 HH12 ARG 18 2.316 3.995 -8.438 132 HH21 ARG 18 HH21 ARG 18 1.562 7.314 -7.654 133 HH22 ARG 18 HH22 ARG 18 1.552 6.082 -8.881 134 H GLN 19 HN GLN 19 4.651 7.996 -1.668 135 HA GLN 19 HA GLN 19 6.762 8.879 -3.469 136 HB2 GLN 19 HB2 GLN 19 5.576 11.022 -3.506 137 HB3 GLN 19 HB1 GLN 19 4.489 9.691 -3.868 138 HG2 GLN 19 HG2 GLN 19 3.636 9.764 -1.581 139 HG3 GLN 19 HG1 GLN 19 4.730 11.094 -1.218 140 HE21 GLN 19 HE21 GLN 19 4.317 13.130 -2.045 141 HE22 GLN 19 HE22 GLN 19 2.768 13.560 -2.700 142 H GLU 20 HN GLU 20 5.960 8.912 -0.136 143 HA GLU 20 HA GLU 20 7.780 10.997 0.623 144 HB2 GLU 20 HB2 GLU 20 6.150 8.957 2.120 145 HB3 GLU 20 HB1 GLU 20 7.331 9.970 2.956 146 HG2 GLU 20 HG2 GLU 20 4.990 10.961 1.342 147 HG3 GLU 20 HG1 GLU 20 5.059 10.859 3.100 148 H ILE 21 HN ILE 21 7.855 7.489 0.420 149 HA ILE 21 HA ILE 21 10.668 7.567 1.272 150 HB ILE 21 HB ILE 21 8.563 5.457 1.682 151 HG12 ILE 21 HG12 ILE 21 9.570 5.495 4.007 152 HG13 ILE 21 HG11 ILE 21 10.504 6.895 3.500 153 HG21 ILE 21 HG21 ILE 21 10.309 3.915 2.445 154 HG22 ILE 21 HG22 ILE 21 11.539 5.052 1.893 155 HG23 ILE 21 HG23 ILE 21 10.456 4.290 0.728 156 HD11 ILE 21 HD11 ILE 21 7.506 6.703 3.613 157 HD12 ILE 21 HD12 ILE 21 8.427 8.108 3.073 158 HD13 ILE 21 HD13 ILE 21 8.548 7.561 4.747 159 H ASP 22 HN ASP 22 11.942 7.486 -0.469 160 HA ASP 22 HA ASP 22 11.348 5.462 -2.526 161 HB2 ASP 22 HB2 ASP 22 13.154 7.888 -2.593 162 HB3 ASP 22 HB1 ASP 22 13.158 6.651 -3.845 163 H MET 23 HN MET 23 12.058 4.411 -0.254 164 HA MET 23 HA MET 23 14.971 4.044 -0.214 165 HB2 MET 23 HB2 MET 23 13.889 4.957 1.823 166 HB3 MET 23 HB1 MET 23 12.902 3.513 1.930 167 HG2 MET 23 HG2 MET 23 14.851 2.164 2.362 168 HG3 MET 23 HG1 MET 23 15.901 3.565 2.133 169 HE1 MET 23 HE1 MET 23 16.021 2.851 6.039 170 HE2 MET 23 HE2 MET 23 16.970 2.929 4.554 171 HE3 MET 23 HE3 MET 23 15.806 1.623 4.790 172 H GLU 24 HN GLU 24 15.817 2.063 -0.587 173 HA GLU 24 HA GLU 24 13.915 -0.150 -0.999 174 HB2 GLU 24 HB2 GLU 24 15.014 0.739 -3.065 175 HB3 GLU 24 HB1 GLU 24 16.567 0.280 -2.385 176 HG2 GLU 24 HG2 GLU 24 15.752 -1.338 -4.024 177 HG3 GLU 24 HG1 GLU 24 15.939 -2.050 -2.423 178 H ASP 25 HN ASP 25 14.525 -0.035 1.484 179 HA ASP 25 HA ASP 25 16.919 -1.691 1.953 180 HB2 ASP 25 HB2 ASP 25 15.970 0.559 3.273 181 HB3 ASP 25 HB1 ASP 25 15.457 -0.763 4.316 182 H GLU 26 HN GLU 26 15.758 -2.567 4.562 183 HA GLU 26 HA GLU 26 14.342 -4.876 3.621 184 HB2 GLU 26 HB2 GLU 26 15.897 -4.750 5.644 185 HB3 GLU 26 HB1 GLU 26 14.575 -3.954 6.490 186 HG2 GLU 26 HG2 GLU 26 14.563 -6.266 7.065 187 HG3 GLU 26 HG1 GLU 26 13.164 -5.947 6.039 188 H GLU 27 HN GLU 27 13.476 -1.730 4.613 189 HA GLU 27 HA GLU 27 10.810 -2.393 5.470 190 HB2 GLU 27 HB2 GLU 27 10.557 0.174 5.394 191 HB3 GLU 27 HB1 GLU 27 11.618 -0.528 6.603 192 HG2 GLU 27 HG2 GLU 27 12.683 1.400 5.697 193 HG3 GLU 27 HG1 GLU 27 13.552 -0.021 5.124 194 H ALA 28 HN ALA 28 12.442 -1.596 2.581 195 HA ALA 28 HA ALA 28 10.431 -0.604 0.963 196 HB1 ALA 28 HB1 ALA 28 12.806 -0.679 0.378 197 HB2 ALA 28 HB2 ALA 28 11.790 -1.377 -0.874 198 HB3 ALA 28 HB3 ALA 28 12.698 -2.428 0.198 199 H ASP 29 HN ASP 29 10.982 -3.817 2.146 200 HA ASP 29 HA ASP 29 9.377 -5.310 0.417 201 HB2 ASP 29 HB2 ASP 29 10.755 -6.363 2.136 202 HB3 ASP 29 HB1 ASP 29 9.798 -5.601 3.402 203 H LEU 30 HN LEU 30 8.566 -3.392 3.273 204 HA LEU 30 HA LEU 30 5.775 -3.950 3.193 205 HB2 LEU 30 HB2 LEU 30 7.368 -1.789 4.567 206 HB3 LEU 30 HB1 LEU 30 5.630 -1.931 4.722 207 HG LEU 30 HG LEU 30 6.020 -4.266 5.637 208 HD11 LEU 30 HD11 LEU 30 8.857 -3.269 5.829 209 HD12 LEU 30 HD12 LEU 30 8.292 -4.611 4.835 210 HD13 LEU 30 HD13 LEU 30 8.225 -4.725 6.594 211 HD21 LEU 30 HD21 LEU 30 5.421 -2.404 7.060 212 HD22 LEU 30 HD22 LEU 30 7.109 -1.901 7.149 213 HD23 LEU 30 HD23 LEU 30 6.606 -3.429 7.871 214 H ARG 31 HN ARG 31 7.853 -1.460 1.821 215 HA ARG 31 HA ARG 31 5.785 0.229 0.863 216 HB2 ARG 31 HB2 ARG 31 8.353 -0.156 -0.648 217 HB3 ARG 31 HB1 ARG 31 7.407 1.307 -0.435 218 HG2 ARG 31 HG2 ARG 31 8.996 -0.028 1.735 219 HG3 ARG 31 HG1 ARG 31 9.555 1.331 0.764 220 HD2 ARG 31 HD2 ARG 31 7.730 2.706 1.616 221 HD3 ARG 31 HD1 ARG 31 7.134 1.338 2.559 222 HE ARG 31 HE ARG 31 9.886 1.967 3.112 223 HH11 ARG 31 HH11 ARG 31 6.582 2.868 3.904 224 HH12 ARG 31 HH12 ARG 31 6.997 3.467 5.482 225 HH21 ARG 31 HH21 ARG 31 10.430 2.768 5.128 226 HH22 ARG 31 HH22 ARG 31 9.217 3.436 6.180 227 H ARG 32 HN ARG 32 7.421 -2.600 -0.423 228 HA ARG 32 HA ARG 32 6.119 -2.675 -2.931 229 HB2 ARG 32 HB2 ARG 32 8.192 -3.925 -2.414 230 HB3 ARG 32 HB1 ARG 32 7.280 -4.954 -1.315 231 HG2 ARG 32 HG2 ARG 32 5.972 -5.820 -3.142 232 HG3 ARG 32 HG1 ARG 32 6.762 -4.715 -4.270 233 HD2 ARG 32 HD2 ARG 32 8.916 -5.799 -3.794 234 HD3 ARG 32 HD1 ARG 32 8.098 -6.920 -2.706 235 HE ARG 32 HE ARG 32 6.897 -7.778 -4.644 236 HH11 ARG 32 HH11 ARG 32 9.798 -5.884 -5.259 237 HH12 ARG 32 HH12 ARG 32 10.031 -6.566 -6.841 238 HH21 ARG 32 HH21 ARG 32 7.216 -8.646 -6.707 239 HH22 ARG 32 HH22 ARG 32 8.560 -8.112 -7.682 240 H ALA 33 HN ALA 33 5.310 -3.912 0.263 241 HA ALA 33 HA ALA 33 3.007 -5.366 -0.479 242 HB1 ALA 33 HB1 ALA 33 3.557 -3.974 2.141 243 HB2 ALA 33 HB2 ALA 33 4.099 -5.596 1.711 244 HB3 ALA 33 HB3 ALA 33 2.375 -5.256 1.861 245 H ILE 34 HN ILE 34 3.600 -1.972 0.079 246 HA ILE 34 HA ILE 34 0.903 -1.092 0.086 247 HB ILE 34 HB ILE 34 3.567 0.176 -0.208 248 HG12 ILE 34 HG12 ILE 34 2.701 1.702 1.423 249 HG13 ILE 34 HG11 ILE 34 1.055 1.170 1.107 250 HG21 ILE 34 HG21 ILE 34 1.212 1.828 -1.024 251 HG22 ILE 34 HG22 ILE 34 2.131 0.923 -2.210 252 HG23 ILE 34 HG23 ILE 34 2.935 2.152 -1.243 253 HD11 ILE 34 HD11 ILE 34 1.955 0.320 3.227 254 HD12 ILE 34 HD12 ILE 34 3.213 -0.531 2.331 255 HD13 ILE 34 HD13 ILE 34 1.521 -0.972 2.110 256 H GLN 35 HN GLN 35 3.318 -1.624 -2.415 257 HA GLN 35 HA GLN 35 1.732 -0.782 -4.612 258 HB2 GLN 35 HB2 GLN 35 4.062 -2.710 -4.520 259 HB3 GLN 35 HB1 GLN 35 3.374 -2.027 -5.986 260 HG2 GLN 35 HG2 GLN 35 4.021 0.200 -5.290 261 HG3 GLN 35 HG1 GLN 35 4.642 -0.437 -3.768 262 HE21 GLN 35 HE21 GLN 35 6.700 0.363 -4.186 263 HE22 GLN 35 HE22 GLN 35 7.748 -0.366 -5.351 264 H LEU 36 HN LEU 36 2.172 -3.839 -2.960 265 HA LEU 36 HA LEU 36 0.659 -5.435 -4.748 266 HB2 LEU 36 HB2 LEU 36 2.260 -6.451 -3.282 267 HB3 LEU 36 HB1 LEU 36 1.507 -5.749 -1.870 268 HG LEU 36 HG LEU 36 1.196 -8.245 -2.248 269 HD11 LEU 36 HD11 LEU 36 -1.385 -7.941 -1.751 270 HD12 LEU 36 HD12 LEU 36 -0.893 -6.243 -1.606 271 HD13 LEU 36 HD13 LEU 36 -0.146 -7.476 -0.585 272 HD21 LEU 36 HD21 LEU 36 -0.671 -8.878 -3.732 273 HD22 LEU 36 HD22 LEU 36 0.708 -8.231 -4.621 274 HD23 LEU 36 HD23 LEU 36 -0.717 -7.227 -4.350 275 H SER 37 HN SER 37 -0.124 -3.775 -1.702 276 HA SER 37 HA SER 37 -2.820 -4.473 -1.564 277 HB2 SER 37 HB2 SER 37 -1.564 -3.359 0.261 278 HB3 SER 37 HB1 SER 37 -1.547 -1.868 -0.679 279 HG SER 37 HG SER 37 -4.036 -2.512 -0.638 280 H MET 38 HN MET 38 -1.182 -2.174 -3.589 281 HA MET 38 HA MET 38 -3.570 -0.841 -4.462 282 HB2 MET 38 HB2 MET 38 -1.486 0.384 -4.452 283 HB3 MET 38 HB1 MET 38 -0.726 -0.822 -5.480 284 HG2 MET 38 HG2 MET 38 -2.222 -0.230 -7.293 285 HG3 MET 38 HG1 MET 38 -2.989 0.988 -6.277 286 HE1 MET 38 HE1 MET 38 -1.802 1.670 -9.160 287 HE2 MET 38 HE2 MET 38 -0.992 3.197 -8.811 288 HE3 MET 38 HE3 MET 38 -2.566 2.852 -8.095 289 H GLN 39 HN GLN 39 -1.316 -3.236 -5.829 290 HA GLN 39 HA GLN 39 -3.364 -3.906 -7.842 291 HB2 GLN 39 HB2 GLN 39 -0.377 -4.256 -7.906 292 HB3 GLN 39 HB1 GLN 39 -1.454 -4.983 -9.083 293 HG2 GLN 39 HG2 GLN 39 -2.218 -2.724 -9.719 294 HG3 GLN 39 HG1 GLN 39 -1.037 -2.044 -8.600 295 HE21 GLN 39 HE21 GLN 39 1.140 -2.161 -9.093 296 HE22 GLN 39 HE22 GLN 39 1.719 -2.551 -10.677 297 H GLY 40 HN GLY 40 -4.514 -5.366 -6.627 298 HA2 GLY 40 HA2 GLY 40 -3.480 -7.398 -5.004 299 HA3 GLY 40 HA1 GLY 40 -5.057 -7.426 -5.780 300 H SER 41 HN SER 41 -4.354 -7.463 -8.440 301 HA SER 41 HA SER 41 -3.259 -10.132 -8.738 302 HB2 SER 41 HB2 SER 41 -4.279 -8.190 -10.832 303 HB3 SER 41 HB1 SER 41 -3.890 -9.886 -11.101 304 HG SER 41 HG SER 41 -5.543 -10.399 -9.547 305 H SER 42 HN SER 42 -1.270 -10.615 -9.521 306 HA SER 42 HA SER 42 0.716 -8.567 -9.532 307 HB2 SER 42 HB2 SER 42 1.006 -11.447 -10.410 308 HB3 SER 42 HB1 SER 42 2.284 -10.367 -9.847 309 HG SER 42 HG SER 42 1.817 -11.412 -8.032 310 H ARG 43 HN ARG 43 -0.642 -7.475 -11.341 311 HA ARG 43 HA ARG 43 -0.085 -8.530 -13.987 312 HB2 ARG 43 HB2 ARG 43 -1.395 -6.461 -14.718 313 HB3 ARG 43 HB1 ARG 43 -2.272 -7.696 -13.829 314 HG2 ARG 43 HG2 ARG 43 -1.951 -6.335 -11.765 315 HG3 ARG 43 HG1 ARG 43 -1.263 -5.064 -12.776 316 HD2 ARG 43 HD2 ARG 43 -3.617 -4.634 -12.328 317 HD3 ARG 43 HD1 ARG 43 -3.355 -4.942 -14.044 318 HE ARG 43 HE ARG 43 -4.118 -7.306 -13.471 319 HH11 ARG 43 HH11 ARG 43 -5.238 -4.461 -11.747 320 HH12 ARG 43 HH12 ARG 43 -6.767 -5.170 -11.328 321 HH21 ARG 43 HH21 ARG 43 -6.117 -8.227 -12.929 322 HH22 ARG 43 HH22 ARG 43 -7.278 -7.311 -12.010 323 H ASN 44 HN ASN 44 0.298 -5.225 -12.630 324 HA ASN 44 HA ASN 44 2.706 -4.986 -14.293 325 HB2 ASN 44 HB2 ASN 44 0.785 -2.938 -13.208 326 HB3 ASN 44 HB1 ASN 44 2.389 -2.477 -13.771 327 HD21 ASN 44 HD21 ASN 44 2.579 -4.346 -15.891 328 HD22 ASN 44 HD22 ASN 44 1.458 -3.864 -17.122 329 H LEU 45 HN LEU 45 3.384 -6.442 -12.375 330 HA LEU 45 HA LEU 45 4.911 -4.712 -10.562 331 HB2 LEU 45 HB2 LEU 45 3.535 -7.312 -9.861 332 HB3 LEU 45 HB1 LEU 45 4.729 -6.534 -8.842 333 HG LEU 45 HG LEU 45 2.085 -5.295 -9.616 334 HD11 LEU 45 HD11 LEU 45 2.929 -6.651 -7.057 335 HD12 LEU 45 HD12 LEU 45 1.742 -7.255 -8.214 336 HD13 LEU 45 HD13 LEU 45 1.419 -5.777 -7.307 337 HD21 LEU 45 HD21 LEU 45 2.608 -3.683 -7.863 338 HD22 LEU 45 HD22 LEU 45 3.852 -3.674 -9.113 339 HD23 LEU 45 HD23 LEU 45 4.153 -4.480 -7.573 340 H GLU 46 HN GLU 46 6.987 -5.640 -9.962 341 HA GLU 46 HA GLU 46 7.977 -7.432 -12.053 342 HB2 GLU 46 HB2 GLU 46 9.489 -5.855 -9.956 343 HB3 GLU 46 HB1 GLU 46 10.219 -6.801 -11.246 344 HG2 GLU 46 HG2 GLU 46 9.108 -5.332 -12.894 345 HG3 GLU 46 HG1 GLU 46 8.504 -4.348 -11.562 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -18.270 8.187 -2.598 2 H2 GLY 1 HT2 GLY 1 -19.706 8.688 -3.338 3 H3 GLY 1 HT3 GLY 1 -18.214 9.020 -4.071 4 HA2 GLY 1 HA1 GLY 1 -19.337 7.178 -5.178 5 HA3 GLY 1 HA2 GLY 1 -17.823 6.674 -4.439 6 H SER 2 HN SER 2 -18.809 4.480 -4.540 7 HA SER 2 HA SER 2 -20.981 3.842 -2.793 8 HB2 SER 2 HB2 SER 2 -19.038 1.690 -3.270 9 HB3 SER 2 HB1 SER 2 -20.752 1.762 -3.679 10 HG SER 2 HG SER 2 -18.514 2.646 -5.162 11 H LEU 3 HN LEU 3 -17.564 2.998 -2.599 12 HA LEU 3 HA LEU 3 -17.373 4.106 0.086 13 HB2 LEU 3 HB2 LEU 3 -17.925 1.735 0.446 14 HB3 LEU 3 HB1 LEU 3 -16.601 1.263 -0.604 15 HG LEU 3 HG LEU 3 -15.028 2.344 1.008 16 HD11 LEU 3 HD11 LEU 3 -17.478 2.488 2.752 17 HD12 LEU 3 HD12 LEU 3 -16.591 3.859 2.089 18 HD13 LEU 3 HD13 LEU 3 -15.823 2.800 3.271 19 HD21 LEU 3 HD21 LEU 3 -16.744 0.127 2.111 20 HD22 LEU 3 HD22 LEU 3 -15.104 0.522 2.624 21 HD23 LEU 3 HD23 LEU 3 -15.398 -0.069 0.989 22 H ASP 4 HN ASP 4 -16.437 3.774 -2.945 23 HA ASP 4 HA ASP 4 -13.661 3.352 -2.950 24 HB2 ASP 4 HB2 ASP 4 -15.112 5.006 -5.000 25 HB3 ASP 4 HB1 ASP 4 -13.795 3.857 -5.240 26 H GLU 5 HN GLU 5 -15.651 6.218 -2.688 27 HA GLU 5 HA GLU 5 -13.671 8.162 -3.088 28 HB2 GLU 5 HB2 GLU 5 -16.197 8.454 -3.005 29 HB3 GLU 5 HB1 GLU 5 -16.051 8.432 -1.255 30 HG2 GLU 5 HG2 GLU 5 -14.699 10.414 -1.291 31 HG3 GLU 5 HG1 GLU 5 -14.661 10.397 -3.056 32 H ASP 6 HN ASP 6 -14.762 6.458 -0.207 33 HA ASP 6 HA ASP 6 -12.970 7.748 1.594 34 HB2 ASP 6 HB2 ASP 6 -14.336 5.054 1.801 35 HB3 ASP 6 HB1 ASP 6 -13.557 5.909 3.127 36 H GLU 7 HN GLU 7 -12.962 4.749 -0.247 37 HA GLU 7 HA GLU 7 -10.558 3.648 0.595 38 HB2 GLU 7 HB2 GLU 7 -12.060 3.505 -2.002 39 HB3 GLU 7 HB1 GLU 7 -10.530 2.660 -1.787 40 HG2 GLU 7 HG2 GLU 7 -12.582 2.288 0.287 41 HG3 GLU 7 HG1 GLU 7 -12.880 1.539 -1.282 42 H GLU 8 HN GLU 8 -11.151 6.238 -1.698 43 HA GLU 8 HA GLU 8 -8.643 6.334 -2.939 44 HB2 GLU 8 HB2 GLU 8 -10.655 8.500 -2.331 45 HB3 GLU 8 HB1 GLU 8 -9.183 8.806 -3.241 46 HG2 GLU 8 HG2 GLU 8 -11.363 6.876 -4.006 47 HG3 GLU 8 HG1 GLU 8 -11.079 8.467 -4.715 48 H ASP 9 HN ASP 9 -9.698 7.606 0.181 49 HA ASP 9 HA ASP 9 -7.233 9.042 0.584 50 HB2 ASP 9 HB2 ASP 9 -9.338 9.811 1.634 51 HB3 ASP 9 HB1 ASP 9 -9.373 8.337 2.602 52 H LEU 10 HN LEU 10 -8.616 5.961 1.619 53 HA LEU 10 HA LEU 10 -6.475 5.162 3.278 54 HB2 LEU 10 HB2 LEU 10 -8.351 3.478 1.635 55 HB3 LEU 10 HB1 LEU 10 -7.293 2.875 2.896 56 HG LEU 10 HG LEU 10 -9.658 4.713 3.229 57 HD11 LEU 10 HD11 LEU 10 -10.355 2.803 4.727 58 HD12 LEU 10 HD12 LEU 10 -9.027 1.897 4.000 59 HD13 LEU 10 HD13 LEU 10 -10.352 2.475 2.993 60 HD21 LEU 10 HD21 LEU 10 -7.934 5.470 4.729 61 HD22 LEU 10 HD22 LEU 10 -7.588 3.817 5.232 62 HD23 LEU 10 HD23 LEU 10 -9.129 4.565 5.657 63 H GLN 11 HN GLN 11 -7.183 4.558 -0.136 64 HA GLN 11 HA GLN 11 -4.796 3.290 -0.852 65 HB2 GLN 11 HB2 GLN 11 -6.608 3.210 -2.363 66 HB3 GLN 11 HB1 GLN 11 -6.835 4.950 -2.322 67 HG2 GLN 11 HG2 GLN 11 -5.929 4.286 -4.435 68 HG3 GLN 11 HG1 GLN 11 -4.757 5.241 -3.536 69 HE21 GLN 11 HE21 GLN 11 -3.033 4.409 -4.730 70 HE22 GLN 11 HE22 GLN 11 -2.462 2.793 -4.523 71 H ARG 12 HN ARG 12 -5.632 6.704 -0.562 72 HA ARG 12 HA ARG 12 -3.242 7.789 -1.587 73 HB2 ARG 12 HB2 ARG 12 -5.342 9.065 -1.181 74 HB3 ARG 12 HB1 ARG 12 -5.054 8.940 0.544 75 HG2 ARG 12 HG2 ARG 12 -2.995 10.197 -1.216 76 HG3 ARG 12 HG1 ARG 12 -4.421 11.111 -0.727 77 HD2 ARG 12 HD2 ARG 12 -2.432 9.793 1.118 78 HD3 ARG 12 HD1 ARG 12 -2.543 11.520 0.781 79 HE ARG 12 HE ARG 12 -4.961 10.304 1.828 80 HH11 ARG 12 HH11 ARG 12 -2.008 12.063 2.545 81 HH12 ARG 12 HH12 ARG 12 -2.573 12.600 4.099 82 HH21 ARG 12 HH21 ARG 12 -5.701 11.008 3.844 83 HH22 ARG 12 HH22 ARG 12 -4.657 11.977 4.858 84 H ALA 13 HN ALA 13 -4.189 6.869 1.714 85 HA ALA 13 HA ALA 13 -1.826 7.574 3.023 86 HB1 ALA 13 HB1 ALA 13 -2.501 5.992 4.761 87 HB2 ALA 13 HB2 ALA 13 -3.688 5.284 3.660 88 HB3 ALA 13 HB3 ALA 13 -3.873 6.954 4.204 89 H LEU 14 HN LEU 14 -2.670 4.660 1.211 90 HA LEU 14 HA LEU 14 -0.324 3.200 1.782 91 HB2 LEU 14 HB2 LEU 14 -2.144 3.136 -0.626 92 HB3 LEU 14 HB1 LEU 14 -0.846 1.988 -0.351 93 HG LEU 14 HG LEU 14 -3.196 2.375 1.509 94 HD11 LEU 14 HD11 LEU 14 -2.692 0.232 -0.555 95 HD12 LEU 14 HD12 LEU 14 -3.929 1.487 -0.643 96 HD13 LEU 14 HD13 LEU 14 -4.013 0.253 0.615 97 HD21 LEU 14 HD21 LEU 14 -2.424 0.318 2.538 98 HD22 LEU 14 HD22 LEU 14 -1.139 1.525 2.570 99 HD23 LEU 14 HD23 LEU 14 -1.092 0.217 1.391 100 H ALA 15 HN ALA 15 -1.146 5.264 -1.008 101 HA ALA 15 HA ALA 15 1.358 5.200 -2.265 102 HB1 ALA 15 HB1 ALA 15 0.658 7.245 -3.397 103 HB2 ALA 15 HB2 ALA 15 -0.641 7.462 -2.225 104 HB3 ALA 15 HB3 ALA 15 -0.671 6.087 -3.328 105 H LEU 16 HN LEU 16 0.064 7.270 0.264 106 HA LEU 16 HA LEU 16 2.168 9.041 0.628 107 HB2 LEU 16 HB2 LEU 16 -0.061 9.168 1.682 108 HB3 LEU 16 HB1 LEU 16 0.334 7.790 2.681 109 HG LEU 16 HG LEU 16 1.933 10.329 2.856 110 HD11 LEU 16 HD11 LEU 16 0.340 10.731 4.862 111 HD12 LEU 16 HD12 LEU 16 -0.770 9.680 3.967 112 HD13 LEU 16 HD13 LEU 16 -0.187 11.180 3.241 113 HD21 LEU 16 HD21 LEU 16 2.312 9.531 5.149 114 HD22 LEU 16 HD22 LEU 16 2.846 8.345 3.956 115 HD23 LEU 16 HD23 LEU 16 1.323 8.107 4.814 116 H SER 17 HN SER 17 1.608 5.885 2.178 117 HA SER 17 HA SER 17 3.967 5.844 3.707 118 HB2 SER 17 HB2 SER 17 2.450 3.469 2.597 119 HB3 SER 17 HB1 SER 17 3.531 3.469 3.991 120 HG SER 17 HG SER 17 1.262 5.156 3.888 121 H ARG 18 HN ARG 18 3.410 5.266 0.362 122 HA ARG 18 HA ARG 18 5.841 3.763 -0.050 123 HB2 ARG 18 HB2 ARG 18 4.519 2.996 -1.687 124 HB3 ARG 18 HB1 ARG 18 3.418 4.355 -1.538 125 HG2 ARG 18 HG2 ARG 18 4.915 5.690 -2.954 126 HG3 ARG 18 HG1 ARG 18 5.963 4.282 -3.146 127 HD2 ARG 18 HD2 ARG 18 4.126 3.045 -4.169 128 HD3 ARG 18 HD1 ARG 18 3.058 4.430 -3.954 129 HE ARG 18 HE ARG 18 5.389 5.112 -5.459 130 HH11 ARG 18 HH11 ARG 18 2.231 3.591 -5.708 131 HH12 ARG 18 HH12 ARG 18 2.084 3.907 -7.406 132 HH21 ARG 18 HH21 ARG 18 5.193 5.492 -7.708 133 HH22 ARG 18 HH22 ARG 18 3.746 4.983 -8.532 134 H GLN 19 HN GLN 19 4.747 7.065 -0.306 135 HA GLN 19 HA GLN 19 7.143 7.856 -1.775 136 HB2 GLN 19 HB2 GLN 19 6.122 10.052 -1.959 137 HB3 GLN 19 HB1 GLN 19 4.971 8.818 -2.453 138 HG2 GLN 19 HG2 GLN 19 3.858 8.973 -0.296 139 HG3 GLN 19 HG1 GLN 19 5.022 10.191 0.225 140 HE21 GLN 19 HE21 GLN 19 3.441 11.734 0.562 141 HE22 GLN 19 HE22 GLN 19 2.624 12.519 -0.754 142 H GLU 20 HN GLU 20 5.928 7.686 1.404 143 HA GLU 20 HA GLU 20 7.278 9.556 2.861 144 HB2 GLU 20 HB2 GLU 20 6.746 6.636 3.350 145 HB3 GLU 20 HB1 GLU 20 7.633 7.590 4.536 146 HG2 GLU 20 HG2 GLU 20 4.848 8.155 3.542 147 HG3 GLU 20 HG1 GLU 20 5.265 7.404 5.082 148 H ILE 21 HN ILE 21 8.593 6.329 2.215 149 HA ILE 21 HA ILE 21 11.243 7.503 1.773 150 HB ILE 21 HB ILE 21 10.736 5.159 3.617 151 HG12 ILE 21 HG12 ILE 21 10.250 7.381 4.623 152 HG13 ILE 21 HG11 ILE 21 11.591 6.548 5.404 153 HG21 ILE 21 HG21 ILE 21 13.337 6.447 2.802 154 HG22 ILE 21 HG22 ILE 21 12.758 4.864 2.279 155 HG23 ILE 21 HG23 ILE 21 13.151 5.142 3.976 156 HD11 ILE 21 HD11 ILE 21 11.966 8.965 5.059 157 HD12 ILE 21 HD12 ILE 21 11.898 8.680 3.319 158 HD13 ILE 21 HD13 ILE 21 13.178 7.945 4.284 159 H ASP 22 HN ASP 22 11.162 7.033 -0.392 160 HA ASP 22 HA ASP 22 10.263 4.614 -1.512 161 HB2 ASP 22 HB2 ASP 22 10.580 6.653 -2.852 162 HB3 ASP 22 HB1 ASP 22 12.321 6.550 -2.604 163 H MET 23 HN MET 23 13.607 5.737 -1.225 164 HA MET 23 HA MET 23 15.587 4.582 -1.302 165 HB2 MET 23 HB2 MET 23 14.834 4.802 1.102 166 HB3 MET 23 HB1 MET 23 14.350 3.113 1.014 167 HG2 MET 23 HG2 MET 23 16.551 3.372 2.022 168 HG3 MET 23 HG1 MET 23 16.625 2.455 0.518 169 HE1 MET 23 HE1 MET 23 19.234 2.793 0.335 170 HE2 MET 23 HE2 MET 23 19.209 3.665 1.869 171 HE3 MET 23 HE3 MET 23 20.033 4.361 0.475 172 H GLU 24 HN GLU 24 15.600 3.444 -3.175 173 HA GLU 24 HA GLU 24 14.037 1.096 -3.578 174 HB2 GLU 24 HB2 GLU 24 15.243 1.069 -5.790 175 HB3 GLU 24 HB1 GLU 24 14.350 2.538 -5.421 176 HG2 GLU 24 HG2 GLU 24 16.552 3.486 -4.588 177 HG3 GLU 24 HG1 GLU 24 17.315 2.098 -5.365 178 H ASP 25 HN ASP 25 15.606 0.409 -1.431 179 HA ASP 25 HA ASP 25 17.066 -1.786 -2.703 180 HB2 ASP 25 HB2 ASP 25 18.804 -1.780 -1.004 181 HB3 ASP 25 HB1 ASP 25 18.757 -0.236 -1.835 182 H GLU 26 HN GLU 26 16.144 -0.916 0.649 183 HA GLU 26 HA GLU 26 14.768 -3.523 0.762 184 HB2 GLU 26 HB2 GLU 26 16.293 -2.059 2.910 185 HB3 GLU 26 HB1 GLU 26 15.196 -3.389 3.261 186 HG2 GLU 26 HG2 GLU 26 17.622 -3.543 1.483 187 HG3 GLU 26 HG1 GLU 26 17.526 -4.124 3.145 188 H GLU 27 HN GLU 27 14.626 -0.108 1.612 189 HA GLU 27 HA GLU 27 12.127 -0.153 2.907 190 HB2 GLU 27 HB2 GLU 27 13.507 1.974 1.277 191 HB3 GLU 27 HB1 GLU 27 11.956 2.241 2.063 192 HG2 GLU 27 HG2 GLU 27 14.428 1.370 3.528 193 HG3 GLU 27 HG1 GLU 27 13.959 3.057 3.318 194 H ALA 28 HN ALA 28 13.059 -0.063 -0.466 195 HA ALA 28 HA ALA 28 10.576 0.361 -1.662 196 HB1 ALA 28 HB1 ALA 28 12.801 -1.384 -2.706 197 HB2 ALA 28 HB2 ALA 28 12.746 0.372 -2.849 198 HB3 ALA 28 HB3 ALA 28 11.527 -0.615 -3.653 199 H ASP 29 HN ASP 29 11.954 -2.499 -0.221 200 HA ASP 29 HA ASP 29 10.182 -4.425 -1.277 201 HB2 ASP 29 HB2 ASP 29 12.349 -4.853 -0.022 202 HB3 ASP 29 HB1 ASP 29 11.471 -4.493 1.459 203 H LEU 30 HN LEU 30 10.092 -2.400 1.604 204 HA LEU 30 HA LEU 30 7.619 -3.383 2.600 205 HB2 LEU 30 HB2 LEU 30 9.233 -0.906 3.140 206 HB3 LEU 30 HB1 LEU 30 7.654 -1.131 3.863 207 HG LEU 30 HG LEU 30 8.483 -3.203 4.951 208 HD11 LEU 30 HD11 LEU 30 11.159 -2.346 3.862 209 HD12 LEU 30 HD12 LEU 30 10.259 -3.790 3.398 210 HD13 LEU 30 HD13 LEU 30 10.887 -3.632 5.038 211 HD21 LEU 30 HD21 LEU 30 8.474 -1.111 6.170 212 HD22 LEU 30 HD22 LEU 30 10.058 -0.696 5.511 213 HD23 LEU 30 HD23 LEU 30 9.891 -2.066 6.612 214 H ARG 31 HN ARG 31 8.531 -0.735 0.462 215 HA ARG 31 HA ARG 31 5.944 0.432 0.302 216 HB2 ARG 31 HB2 ARG 31 8.052 0.524 -1.859 217 HB3 ARG 31 HB1 ARG 31 6.784 1.700 -1.546 218 HG2 ARG 31 HG2 ARG 31 9.219 1.144 0.132 219 HG3 ARG 31 HG1 ARG 31 8.852 2.607 -0.784 220 HD2 ARG 31 HD2 ARG 31 7.228 3.293 0.719 221 HD3 ARG 31 HD1 ARG 31 6.992 1.666 1.357 222 HE ARG 31 HE ARG 31 9.594 2.872 1.851 223 HH11 ARG 31 HH11 ARG 31 6.364 2.307 3.043 224 HH12 ARG 31 HH12 ARG 31 6.803 2.430 4.719 225 HH21 ARG 31 HH21 ARG 31 10.209 3.017 4.076 226 HH22 ARG 31 HH22 ARG 31 8.991 2.820 5.297 227 H ARG 32 HN ARG 32 7.593 -2.128 -1.426 228 HA ARG 32 HA ARG 32 5.632 -2.632 -3.391 229 HB2 ARG 32 HB2 ARG 32 7.975 -3.544 -3.344 230 HB3 ARG 32 HB1 ARG 32 7.466 -4.644 -2.072 231 HG2 ARG 32 HG2 ARG 32 5.738 -5.517 -3.684 232 HG3 ARG 32 HG1 ARG 32 6.564 -4.581 -4.934 233 HD2 ARG 32 HD2 ARG 32 7.397 -6.831 -4.995 234 HD3 ARG 32 HD1 ARG 32 8.665 -5.781 -4.360 235 HE ARG 32 HE ARG 32 6.942 -7.449 -2.635 236 HH11 ARG 32 HH11 ARG 32 10.103 -6.220 -3.551 237 HH12 ARG 32 HH12 ARG 32 10.905 -6.929 -2.175 238 HH21 ARG 32 HH21 ARG 32 8.013 -8.414 -0.860 239 HH22 ARG 32 HH22 ARG 32 9.724 -8.165 -0.658 240 H ALA 33 HN ALA 33 5.988 -3.624 -0.037 241 HA ALA 33 HA ALA 33 3.860 -5.487 0.033 242 HB1 ALA 33 HB1 ALA 33 5.592 -5.401 1.761 243 HB2 ALA 33 HB2 ALA 33 3.980 -5.254 2.461 244 HB3 ALA 33 HB3 ALA 33 4.997 -3.824 2.281 245 H ILE 34 HN ILE 34 4.018 -2.009 0.286 246 HA ILE 34 HA ILE 34 1.351 -1.588 1.174 247 HB ILE 34 HB ILE 34 3.491 0.101 0.002 248 HG12 ILE 34 HG12 ILE 34 2.792 1.611 1.849 249 HG13 ILE 34 HG11 ILE 34 1.509 0.479 2.254 250 HG21 ILE 34 HG21 ILE 34 1.998 2.006 -0.390 251 HG22 ILE 34 HG22 ILE 34 0.607 0.955 -0.128 252 HG23 ILE 34 HG23 ILE 34 1.678 0.672 -1.500 253 HD11 ILE 34 HD11 ILE 34 4.459 -0.092 2.363 254 HD12 ILE 34 HD12 ILE 34 3.168 -1.215 2.789 255 HD13 ILE 34 HD13 ILE 34 3.410 0.250 3.740 256 H GLN 35 HN GLN 35 2.884 -1.862 -1.989 257 HA GLN 35 HA GLN 35 0.450 -1.482 -3.453 258 HB2 GLN 35 HB2 GLN 35 3.108 -2.639 -4.310 259 HB3 GLN 35 HB1 GLN 35 1.771 -2.303 -5.401 260 HG2 GLN 35 HG2 GLN 35 1.898 0.091 -4.612 261 HG3 GLN 35 HG1 GLN 35 3.416 -0.345 -3.828 262 HE21 GLN 35 HE21 GLN 35 2.369 -1.746 -6.841 263 HE22 GLN 35 HE22 GLN 35 3.551 -0.981 -7.844 264 H LEU 36 HN LEU 36 1.875 -4.082 -1.798 265 HA LEU 36 HA LEU 36 0.593 -6.225 -3.165 266 HB2 LEU 36 HB2 LEU 36 2.575 -6.641 -1.873 267 HB3 LEU 36 HB1 LEU 36 1.864 -5.939 -0.442 268 HG LEU 36 HG LEU 36 2.129 -8.460 -0.504 269 HD11 LEU 36 HD11 LEU 36 -0.352 -8.695 0.374 270 HD12 LEU 36 HD12 LEU 36 -0.288 -6.926 0.257 271 HD13 LEU 36 HD13 LEU 36 0.878 -7.794 1.261 272 HD21 LEU 36 HD21 LEU 36 0.333 -9.721 -1.596 273 HD22 LEU 36 HD22 LEU 36 1.344 -8.868 -2.764 274 HD23 LEU 36 HD23 LEU 36 -0.248 -8.234 -2.347 275 H SER 37 HN SER 37 -0.116 -4.385 -0.207 276 HA SER 37 HA SER 37 -2.527 -5.519 0.511 277 HB2 SER 37 HB2 SER 37 -1.803 -2.581 0.631 278 HB3 SER 37 HB1 SER 37 -3.038 -3.386 1.598 279 HG SER 37 HG SER 37 -1.422 -4.605 2.593 280 H MET 38 HN MET 38 -1.898 -3.058 -1.950 281 HA MET 38 HA MET 38 -4.722 -3.171 -2.751 282 HB2 MET 38 HB2 MET 38 -4.158 -1.091 -4.080 283 HB3 MET 38 HB1 MET 38 -4.118 -0.925 -2.333 284 HG2 MET 38 HG2 MET 38 -2.236 0.221 -2.954 285 HG3 MET 38 HG1 MET 38 -1.578 -1.376 -2.606 286 HE1 MET 38 HE1 MET 38 -2.720 1.117 -5.415 287 HE2 MET 38 HE2 MET 38 -3.668 -0.325 -5.777 288 HE3 MET 38 HE3 MET 38 -2.392 0.188 -6.879 289 H GLN 39 HN GLN 39 -3.086 -5.348 -3.402 290 HA GLN 39 HA GLN 39 -1.807 -5.159 -5.882 291 HB2 GLN 39 HB2 GLN 39 -1.949 -7.624 -5.972 292 HB3 GLN 39 HB1 GLN 39 -1.352 -7.024 -4.433 293 HG2 GLN 39 HG2 GLN 39 -3.446 -7.471 -3.370 294 HG3 GLN 39 HG1 GLN 39 -4.201 -7.861 -4.914 295 HE21 GLN 39 HE21 GLN 39 -3.698 -9.826 -5.922 296 HE22 GLN 39 HE22 GLN 39 -2.985 -11.133 -5.047 297 H GLY 40 HN GLY 40 -2.899 -4.219 -7.496 298 HA2 GLY 40 HA2 GLY 40 -5.441 -5.389 -8.360 299 HA3 GLY 40 HA1 GLY 40 -4.676 -3.951 -9.035 300 H SER 41 HN SER 41 -2.083 -5.137 -9.267 301 HA SER 41 HA SER 41 -2.546 -6.804 -11.619 302 HB2 SER 41 HB2 SER 41 0.026 -5.496 -10.695 303 HB3 SER 41 HB1 SER 41 -0.295 -6.207 -12.275 304 HG SER 41 HG SER 41 -0.817 -3.712 -11.395 305 H SER 42 HN SER 42 -2.625 -8.914 -11.139 306 HA SER 42 HA SER 42 -0.681 -9.966 -9.189 307 HB2 SER 42 HB2 SER 42 -3.290 -11.212 -10.102 308 HB3 SER 42 HB1 SER 42 -2.231 -11.815 -8.826 309 HG SER 42 HG SER 42 -3.134 -9.186 -8.617 310 H ARG 43 HN ARG 43 0.224 -9.395 -11.692 311 HA ARG 43 HA ARG 43 -0.016 -11.737 -13.405 312 HB2 ARG 43 HB2 ARG 43 -0.014 -9.318 -14.218 313 HB3 ARG 43 HB1 ARG 43 1.700 -9.293 -13.836 314 HG2 ARG 43 HG2 ARG 43 1.937 -11.281 -15.379 315 HG3 ARG 43 HG1 ARG 43 0.285 -10.943 -15.902 316 HD2 ARG 43 HD2 ARG 43 2.734 -9.233 -16.202 317 HD3 ARG 43 HD1 ARG 43 1.640 -9.822 -17.454 318 HE ARG 43 HE ARG 43 -0.056 -8.279 -16.413 319 HH11 ARG 43 HH11 ARG 43 3.395 -7.679 -16.161 320 HH12 ARG 43 HH12 ARG 43 3.204 -5.960 -15.960 321 HH21 ARG 43 HH21 ARG 43 -0.293 -6.003 -16.144 322 HH22 ARG 43 HH22 ARG 43 1.128 -5.023 -15.931 323 H ASN 44 HN ASN 44 2.425 -9.995 -11.530 324 HA ASN 44 HA ASN 44 4.238 -12.302 -11.859 325 HB2 ASN 44 HB2 ASN 44 4.964 -9.434 -11.199 326 HB3 ASN 44 HB1 ASN 44 6.098 -10.763 -11.403 327 HD21 ASN 44 HD21 ASN 44 5.903 -8.225 -12.819 328 HD22 ASN 44 HD22 ASN 44 5.719 -8.618 -14.494 329 H LEU 45 HN LEU 45 2.551 -12.948 -10.078 330 HA LEU 45 HA LEU 45 3.599 -12.090 -7.456 331 HB2 LEU 45 HB2 LEU 45 1.284 -11.353 -7.879 332 HB3 LEU 45 HB1 LEU 45 0.809 -13.019 -8.140 333 HG LEU 45 HG LEU 45 1.430 -13.519 -5.783 334 HD11 LEU 45 HD11 LEU 45 3.046 -11.751 -5.419 335 HD12 LEU 45 HD12 LEU 45 1.741 -11.635 -4.239 336 HD13 LEU 45 HD13 LEU 45 1.787 -10.531 -5.613 337 HD21 LEU 45 HD21 LEU 45 -0.517 -12.430 -4.792 338 HD22 LEU 45 HD22 LEU 45 -0.880 -13.046 -6.406 339 HD23 LEU 45 HD23 LEU 45 -0.600 -11.322 -6.162 340 H GLU 46 HN GLU 46 2.634 -14.739 -9.495 341 HA GLU 46 HA GLU 46 2.886 -16.732 -7.446 342 HB2 GLU 46 HB2 GLU 46 2.555 -18.341 -9.295 343 HB3 GLU 46 HB1 GLU 46 1.315 -17.096 -9.253 344 HG2 GLU 46 HG2 GLU 46 2.836 -15.898 -10.984 345 HG3 GLU 46 HG1 GLU 46 3.520 -17.507 -11.216 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -18.672 9.006 -4.456 2 H2 GLY 1 HT2 GLY 1 -19.192 8.652 -6.029 3 H3 GLY 1 HT3 GLY 1 -18.494 7.435 -5.078 4 HA2 GLY 1 HA1 GLY 1 -21.093 8.785 -4.616 5 HA3 GLY 1 HA2 GLY 1 -20.858 7.125 -5.145 6 H SER 2 HN SER 2 -20.200 5.558 -3.647 7 HA SER 2 HA SER 2 -20.740 6.385 -0.880 8 HB2 SER 2 HB2 SER 2 -20.857 3.580 -1.990 9 HB3 SER 2 HB1 SER 2 -21.565 4.182 -0.491 10 HG SER 2 HG SER 2 -22.733 4.009 -2.819 11 H LEU 3 HN LEU 3 -18.680 4.155 -2.754 12 HA LEU 3 HA LEU 3 -17.049 3.636 -0.413 13 HB2 LEU 3 HB2 LEU 3 -16.771 2.676 -3.260 14 HB3 LEU 3 HB1 LEU 3 -15.811 2.114 -1.904 15 HG LEU 3 HG LEU 3 -18.798 1.781 -2.155 16 HD11 LEU 3 HD11 LEU 3 -18.274 -0.592 -2.530 17 HD12 LEU 3 HD12 LEU 3 -16.558 -0.190 -2.583 18 HD13 LEU 3 HD13 LEU 3 -17.650 0.442 -3.815 19 HD21 LEU 3 HD21 LEU 3 -18.529 0.248 -0.261 20 HD22 LEU 3 HD22 LEU 3 -18.051 1.894 0.157 21 HD23 LEU 3 HD23 LEU 3 -16.821 0.671 -0.168 22 H ASP 4 HN ASP 4 -16.956 5.627 -3.234 23 HA ASP 4 HA ASP 4 -14.263 5.868 -3.776 24 HB2 ASP 4 HB2 ASP 4 -16.307 8.094 -3.909 25 HB3 ASP 4 HB1 ASP 4 -14.780 8.038 -4.781 26 H GLU 5 HN GLU 5 -16.116 7.683 -1.356 27 HA GLU 5 HA GLU 5 -14.104 9.516 -0.695 28 HB2 GLU 5 HB2 GLU 5 -16.264 8.419 1.105 29 HB3 GLU 5 HB1 GLU 5 -15.357 9.904 1.360 30 HG2 GLU 5 HG2 GLU 5 -17.219 9.338 -0.925 31 HG3 GLU 5 HG1 GLU 5 -17.566 10.362 0.470 32 H ASP 6 HN ASP 6 -14.787 6.277 0.483 33 HA ASP 6 HA ASP 6 -12.663 6.347 2.442 34 HB2 ASP 6 HB2 ASP 6 -14.777 4.968 2.657 35 HB3 ASP 6 HB1 ASP 6 -14.141 3.925 1.391 36 H GLU 7 HN GLU 7 -13.181 5.188 -0.815 37 HA GLU 7 HA GLU 7 -10.840 3.677 -1.158 38 HB2 GLU 7 HB2 GLU 7 -12.600 5.172 -3.099 39 HB3 GLU 7 HB1 GLU 7 -11.192 4.248 -3.626 40 HG2 GLU 7 HG2 GLU 7 -12.146 2.235 -2.633 41 HG3 GLU 7 HG1 GLU 7 -13.562 3.157 -2.126 42 H GLU 8 HN GLU 8 -11.491 7.108 -1.867 43 HA GLU 8 HA GLU 8 -8.994 7.762 -2.916 44 HB2 GLU 8 HB2 GLU 8 -10.922 9.461 -1.326 45 HB3 GLU 8 HB1 GLU 8 -9.501 10.100 -2.142 46 HG2 GLU 8 HG2 GLU 8 -11.901 8.799 -3.400 47 HG3 GLU 8 HG1 GLU 8 -11.392 10.483 -3.531 48 H ASP 9 HN ASP 9 -10.118 7.907 0.440 49 HA ASP 9 HA ASP 9 -7.698 8.853 1.521 50 HB2 ASP 9 HB2 ASP 9 -9.755 8.984 2.802 51 HB3 ASP 9 HB1 ASP 9 -9.887 7.226 2.826 52 H LEU 10 HN LEU 10 -8.917 5.587 0.971 53 HA LEU 10 HA LEU 10 -6.893 4.210 2.351 54 HB2 LEU 10 HB2 LEU 10 -9.095 3.282 1.561 55 HB3 LEU 10 HB1 LEU 10 -8.432 3.227 -0.056 56 HG LEU 10 HG LEU 10 -8.479 1.051 1.268 57 HD11 LEU 10 HD11 LEU 10 -6.308 0.303 0.429 58 HD12 LEU 10 HD12 LEU 10 -5.841 1.980 0.150 59 HD13 LEU 10 HD13 LEU 10 -7.171 1.272 -0.766 60 HD21 LEU 10 HD21 LEU 10 -6.756 0.668 2.886 61 HD22 LEU 10 HD22 LEU 10 -7.685 2.088 3.373 62 HD23 LEU 10 HD23 LEU 10 -6.098 2.283 2.630 63 H GLN 11 HN GLN 11 -7.220 4.903 -1.161 64 HA GLN 11 HA GLN 11 -4.650 3.843 -1.743 65 HB2 GLN 11 HB2 GLN 11 -4.911 4.751 -3.968 66 HB3 GLN 11 HB1 GLN 11 -6.411 4.000 -3.447 67 HG2 GLN 11 HG2 GLN 11 -7.412 6.136 -3.042 68 HG3 GLN 11 HG1 GLN 11 -5.884 6.959 -3.357 69 HE21 GLN 11 HE21 GLN 11 -8.476 7.263 -4.680 70 HE22 GLN 11 HE22 GLN 11 -8.182 6.950 -6.351 71 H ARG 12 HN ARG 12 -5.763 7.050 -0.837 72 HA ARG 12 HA ARG 12 -3.356 8.417 -1.391 73 HB2 ARG 12 HB2 ARG 12 -5.361 9.679 -0.871 74 HB3 ARG 12 HB1 ARG 12 -5.446 8.952 0.727 75 HG2 ARG 12 HG2 ARG 12 -4.597 11.235 0.821 76 HG3 ARG 12 HG1 ARG 12 -3.390 10.078 1.379 77 HD2 ARG 12 HD2 ARG 12 -2.369 10.156 -0.901 78 HD3 ARG 12 HD1 ARG 12 -3.500 11.450 -1.308 79 HE ARG 12 HE ARG 12 -1.797 11.847 1.029 80 HH11 ARG 12 HH11 ARG 12 -2.439 12.583 -2.342 81 HH12 ARG 12 HH12 ARG 12 -1.376 13.960 -2.368 82 HH21 ARG 12 HH21 ARG 12 -0.384 13.622 0.984 83 HH22 ARG 12 HH22 ARG 12 -0.182 14.541 -0.482 84 H ALA 13 HN ALA 13 -4.513 6.699 1.495 85 HA ALA 13 HA ALA 13 -2.281 7.122 3.122 86 HB1 ALA 13 HB1 ALA 13 -3.038 5.177 4.389 87 HB2 ALA 13 HB2 ALA 13 -4.119 4.729 3.069 88 HB3 ALA 13 HB3 ALA 13 -4.389 6.225 3.963 89 H LEU 14 HN LEU 14 -2.857 4.765 0.586 90 HA LEU 14 HA LEU 14 -0.593 3.146 1.043 91 HB2 LEU 14 HB2 LEU 14 -2.040 3.765 -1.534 92 HB3 LEU 14 HB1 LEU 14 -0.854 2.485 -1.331 93 HG LEU 14 HG LEU 14 -3.438 2.618 0.222 94 HD11 LEU 14 HD11 LEU 14 -2.789 1.023 -2.251 95 HD12 LEU 14 HD12 LEU 14 -3.870 2.415 -2.186 96 HD13 LEU 14 HD13 LEU 14 -4.281 0.936 -1.314 97 HD21 LEU 14 HD21 LEU 14 -2.946 0.272 0.692 98 HD22 LEU 14 HD22 LEU 14 -1.646 1.318 1.266 99 HD23 LEU 14 HD23 LEU 14 -1.444 0.396 -0.225 100 H ALA 15 HN ALA 15 -1.090 5.842 -1.239 101 HA ALA 15 HA ALA 15 1.613 5.979 -2.083 102 HB1 ALA 15 HB1 ALA 15 1.009 8.138 -3.050 103 HB2 ALA 15 HB2 ALA 15 -0.498 8.138 -2.133 104 HB3 ALA 15 HB3 ALA 15 -0.229 6.929 -3.391 105 H LEU 16 HN LEU 16 -0.183 7.429 0.520 106 HA LEU 16 HA LEU 16 1.651 9.297 1.481 107 HB2 LEU 16 HB2 LEU 16 -0.756 8.869 2.182 108 HB3 LEU 16 HB1 LEU 16 -0.156 7.531 3.134 109 HG LEU 16 HG LEU 16 0.818 10.342 3.585 110 HD11 LEU 16 HD11 LEU 16 -1.445 9.006 5.049 111 HD12 LEU 16 HD12 LEU 16 -1.699 10.127 3.713 112 HD13 LEU 16 HD13 LEU 16 -0.894 10.678 5.188 113 HD21 LEU 16 HD21 LEU 16 1.425 9.512 5.753 114 HD22 LEU 16 HD22 LEU 16 2.075 8.402 4.543 115 HD23 LEU 16 HD23 LEU 16 0.622 7.974 5.443 116 H SER 17 HN SER 17 1.174 5.893 2.409 117 HA SER 17 HA SER 17 3.385 5.692 4.113 118 HB2 SER 17 HB2 SER 17 2.108 3.507 2.452 119 HB3 SER 17 HB1 SER 17 3.127 3.266 3.871 120 HG SER 17 HG SER 17 0.549 4.449 3.740 121 H ARG 18 HN ARG 18 3.132 5.518 0.642 122 HA ARG 18 HA ARG 18 5.678 4.366 0.149 123 HB2 ARG 18 HB2 ARG 18 3.916 6.084 -1.602 124 HB3 ARG 18 HB1 ARG 18 5.395 5.316 -2.154 125 HG2 ARG 18 HG2 ARG 18 4.468 3.133 -1.747 126 HG3 ARG 18 HG1 ARG 18 3.015 3.848 -1.047 127 HD2 ARG 18 HD2 ARG 18 2.531 3.182 -3.297 128 HD3 ARG 18 HD1 ARG 18 2.569 4.941 -3.228 129 HE ARG 18 HE ARG 18 4.881 3.385 -4.197 130 HH11 ARG 18 HH11 ARG 18 2.513 5.928 -4.621 131 HH12 ARG 18 HH12 ARG 18 3.206 6.508 -6.102 132 HH21 ARG 18 HH21 ARG 18 5.766 4.100 -6.152 133 HH22 ARG 18 HH22 ARG 18 5.044 5.438 -7.000 134 H GLN 19 HN GLN 19 4.531 7.740 0.235 135 HA GLN 19 HA GLN 19 7.156 8.786 -0.241 136 HB2 GLN 19 HB2 GLN 19 6.186 10.975 0.214 137 HB3 GLN 19 HB1 GLN 19 5.165 10.061 -0.886 138 HG2 GLN 19 HG2 GLN 19 3.626 9.554 0.899 139 HG3 GLN 19 HG1 GLN 19 4.683 10.341 2.072 140 HE21 GLN 19 HE21 GLN 19 4.830 12.571 2.099 141 HE22 GLN 19 HE22 GLN 19 3.655 13.586 1.320 142 H GLU 20 HN GLU 20 5.610 7.503 2.467 143 HA GLU 20 HA GLU 20 7.071 8.920 4.469 144 HB2 GLU 20 HB2 GLU 20 5.612 6.279 4.499 145 HB3 GLU 20 HB1 GLU 20 6.452 6.915 5.909 146 HG2 GLU 20 HG2 GLU 20 4.085 8.094 4.485 147 HG3 GLU 20 HG1 GLU 20 4.156 7.462 6.129 148 H ILE 21 HN ILE 21 7.541 5.880 2.708 149 HA ILE 21 HA ILE 21 10.062 5.366 3.977 150 HB ILE 21 HB ILE 21 8.670 4.075 1.648 151 HG12 ILE 21 HG12 ILE 21 8.945 2.055 3.115 152 HG13 ILE 21 HG11 ILE 21 9.620 3.103 4.352 153 HG21 ILE 21 HG21 ILE 21 10.579 2.494 1.504 154 HG22 ILE 21 HG22 ILE 21 11.498 3.557 2.572 155 HG23 ILE 21 HG23 ILE 21 10.985 4.129 0.983 156 HD11 ILE 21 HD11 ILE 21 6.830 3.238 3.241 157 HD12 ILE 21 HD12 ILE 21 7.503 4.313 4.466 158 HD13 ILE 21 HD13 ILE 21 7.306 2.594 4.814 159 H ASP 22 HN ASP 22 11.473 6.938 3.736 160 HA ASP 22 HA ASP 22 12.085 7.903 1.025 161 HB2 ASP 22 HB2 ASP 22 11.391 9.572 2.791 162 HB3 ASP 22 HB1 ASP 22 12.858 9.161 3.669 163 H MET 23 HN MET 23 13.024 5.515 1.331 164 HA MET 23 HA MET 23 15.803 5.725 2.283 165 HB2 MET 23 HB2 MET 23 14.321 4.131 3.535 166 HB3 MET 23 HB1 MET 23 14.110 3.230 2.041 167 HG2 MET 23 HG2 MET 23 15.775 2.221 3.534 168 HG3 MET 23 HG1 MET 23 16.450 2.689 1.975 169 HE1 MET 23 HE1 MET 23 17.094 5.097 5.862 170 HE2 MET 23 HE2 MET 23 16.183 3.590 5.798 171 HE3 MET 23 HE3 MET 23 15.556 5.031 5.004 172 H GLU 24 HN GLU 24 17.434 4.701 0.982 173 HA GLU 24 HA GLU 24 16.604 4.481 -1.833 174 HB2 GLU 24 HB2 GLU 24 19.327 5.162 -0.715 175 HB3 GLU 24 HB1 GLU 24 18.888 5.130 -2.418 176 HG2 GLU 24 HG2 GLU 24 17.290 6.947 -2.032 177 HG3 GLU 24 HG1 GLU 24 17.757 6.988 -0.331 178 H ASP 25 HN ASP 25 17.154 2.468 0.583 179 HA ASP 25 HA ASP 25 18.130 0.365 -1.180 180 HB2 ASP 25 HB2 ASP 25 20.157 1.204 -0.078 181 HB3 ASP 25 HB1 ASP 25 19.404 0.984 1.497 182 H GLU 26 HN GLU 26 17.187 -1.581 -0.781 183 HA GLU 26 HA GLU 26 15.792 -3.149 0.076 184 HB2 GLU 26 HB2 GLU 26 16.080 -1.583 2.634 185 HB3 GLU 26 HB1 GLU 26 15.224 -3.115 2.501 186 HG2 GLU 26 HG2 GLU 26 17.332 -4.150 1.692 187 HG3 GLU 26 HG1 GLU 26 18.152 -2.625 2.019 188 H GLU 27 HN GLU 27 15.045 0.142 0.173 189 HA GLU 27 HA GLU 27 12.447 0.325 1.013 190 HB2 GLU 27 HB2 GLU 27 12.248 2.252 -0.502 191 HB3 GLU 27 HB1 GLU 27 13.768 2.257 0.378 192 HG2 GLU 27 HG2 GLU 27 14.805 2.524 -1.557 193 HG3 GLU 27 HG1 GLU 27 14.306 0.889 -1.990 194 H ALA 28 HN ALA 28 13.627 -1.090 -1.951 195 HA ALA 28 HA ALA 28 11.360 -1.057 -3.538 196 HB1 ALA 28 HB1 ALA 28 12.293 -3.002 -4.665 197 HB2 ALA 28 HB2 ALA 28 13.396 -3.269 -3.314 198 HB3 ALA 28 HB3 ALA 28 13.552 -1.819 -4.307 199 H ASP 29 HN ASP 29 12.312 -3.450 -1.091 200 HA ASP 29 HA ASP 29 10.029 -5.094 -1.474 201 HB2 ASP 29 HB2 ASP 29 12.082 -4.909 0.721 202 HB3 ASP 29 HB1 ASP 29 10.716 -6.023 0.814 203 H LEU 30 HN LEU 30 10.673 -2.286 0.485 204 HA LEU 30 HA LEU 30 8.370 -2.543 2.145 205 HB2 LEU 30 HB2 LEU 30 10.210 -0.262 1.495 206 HB3 LEU 30 HB1 LEU 30 8.750 0.009 2.423 207 HG LEU 30 HG LEU 30 9.571 -1.661 4.095 208 HD11 LEU 30 HD11 LEU 30 12.123 -1.509 2.500 209 HD12 LEU 30 HD12 LEU 30 11.088 -2.924 2.687 210 HD13 LEU 30 HD13 LEU 30 11.937 -2.265 4.082 211 HD21 LEU 30 HD21 LEU 30 9.841 0.733 4.455 212 HD22 LEU 30 HD22 LEU 30 11.376 0.701 3.586 213 HD23 LEU 30 HD23 LEU 30 11.209 -0.163 5.115 214 H ARG 31 HN ARG 31 9.033 -0.967 -0.955 215 HA ARG 31 HA ARG 31 6.499 0.243 -1.296 216 HB2 ARG 31 HB2 ARG 31 7.967 -0.987 -3.613 217 HB3 ARG 31 HB1 ARG 31 7.015 0.483 -3.566 218 HG2 ARG 31 HG2 ARG 31 9.699 0.156 -2.270 219 HG3 ARG 31 HG1 ARG 31 9.422 0.866 -3.859 220 HD2 ARG 31 HD2 ARG 31 7.949 2.558 -2.751 221 HD3 ARG 31 HD1 ARG 31 8.469 1.903 -1.192 222 HE ARG 31 HE ARG 31 10.748 2.500 -2.718 223 HH11 ARG 31 HH11 ARG 31 8.154 4.128 -1.036 224 HH12 ARG 31 HH12 ARG 31 9.053 5.583 -0.768 225 HH21 ARG 31 HH21 ARG 31 11.947 4.409 -2.391 226 HH22 ARG 31 HH22 ARG 31 11.210 5.759 -1.562 227 H ARG 32 HN ARG 32 7.775 -2.951 -2.058 228 HA ARG 32 HA ARG 32 5.531 -4.073 -3.270 229 HB2 ARG 32 HB2 ARG 32 7.755 -5.320 -1.645 230 HB3 ARG 32 HB1 ARG 32 6.593 -6.236 -2.583 231 HG2 ARG 32 HG2 ARG 32 7.386 -5.319 -4.628 232 HG3 ARG 32 HG1 ARG 32 8.388 -4.146 -3.770 233 HD2 ARG 32 HD2 ARG 32 9.725 -6.000 -2.850 234 HD3 ARG 32 HD1 ARG 32 8.749 -7.143 -3.774 235 HE ARG 32 HE ARG 32 9.622 -5.489 -5.703 236 HH11 ARG 32 HH11 ARG 32 11.349 -7.117 -3.104 237 HH12 ARG 32 HH12 ARG 32 12.840 -7.202 -3.991 238 HH21 ARG 32 HH21 ARG 32 11.588 -5.589 -6.855 239 HH22 ARG 32 HH22 ARG 32 12.984 -6.332 -6.120 240 H ALA 33 HN ALA 33 6.335 -3.581 0.106 241 HA ALA 33 HA ALA 33 4.327 -5.224 1.228 242 HB1 ALA 33 HB1 ALA 33 5.582 -2.729 2.364 243 HB2 ALA 33 HB2 ALA 33 6.199 -4.369 2.538 244 HB3 ALA 33 HB3 ALA 33 4.659 -3.927 3.268 245 H ILE 34 HN ILE 34 4.366 -1.794 0.292 246 HA ILE 34 HA ILE 34 1.710 -1.218 1.105 247 HB ILE 34 HB ILE 34 3.636 0.085 -0.794 248 HG12 ILE 34 HG12 ILE 34 3.174 2.049 0.719 249 HG13 ILE 34 HG11 ILE 34 2.179 0.980 1.702 250 HG21 ILE 34 HG21 ILE 34 1.923 1.879 -1.202 251 HG22 ILE 34 HG22 ILE 34 0.709 0.746 -0.603 252 HG23 ILE 34 HG23 ILE 34 1.646 0.354 -2.043 253 HD11 ILE 34 HD11 ILE 34 5.128 0.698 1.177 254 HD12 ILE 34 HD12 ILE 34 4.148 -0.422 2.124 255 HD13 ILE 34 HD13 ILE 34 4.368 1.239 2.675 256 H GLN 35 HN GLN 35 3.122 -2.457 -1.848 257 HA GLN 35 HA GLN 35 0.765 -2.483 -3.415 258 HB2 GLN 35 HB2 GLN 35 3.227 -4.225 -3.614 259 HB3 GLN 35 HB1 GLN 35 1.986 -4.075 -4.850 260 HG2 GLN 35 HG2 GLN 35 2.530 -1.769 -5.203 261 HG3 GLN 35 HG1 GLN 35 3.657 -1.789 -3.847 262 HE21 GLN 35 HE21 GLN 35 4.120 -1.112 -6.616 263 HE22 GLN 35 HE22 GLN 35 5.355 -2.190 -7.184 264 H LEU 36 HN LEU 36 2.039 -4.625 -1.003 265 HA LEU 36 HA LEU 36 0.423 -6.882 -1.630 266 HB2 LEU 36 HB2 LEU 36 2.475 -7.210 -0.460 267 HB3 LEU 36 HB1 LEU 36 2.041 -6.053 0.773 268 HG LEU 36 HG LEU 36 2.026 -8.525 1.398 269 HD11 LEU 36 HD11 LEU 36 -0.276 -8.178 2.596 270 HD12 LEU 36 HD12 LEU 36 -0.106 -6.535 1.951 271 HD13 LEU 36 HD13 LEU 36 1.131 -7.204 3.020 272 HD21 LEU 36 HD21 LEU 36 0.874 -9.390 -0.554 273 HD22 LEU 36 HD22 LEU 36 -0.555 -8.436 -0.158 274 HD23 LEU 36 HD23 LEU 36 -0.043 -9.744 0.910 275 H SER 37 HN SER 37 0.208 -4.259 0.742 276 HA SER 37 HA SER 37 -2.123 -4.993 2.035 277 HB2 SER 37 HB2 SER 37 -1.286 -2.163 1.373 278 HB3 SER 37 HB1 SER 37 -2.289 -2.690 2.729 279 HG SER 37 HG SER 37 -0.506 -3.769 3.585 280 H MET 38 HN MET 38 -1.748 -3.242 -1.022 281 HA MET 38 HA MET 38 -4.628 -2.842 -1.170 282 HB2 MET 38 HB2 MET 38 -4.162 -1.508 -3.176 283 HB3 MET 38 HB1 MET 38 -3.238 -0.955 -1.789 284 HG2 MET 38 HG2 MET 38 -1.247 -2.009 -2.644 285 HG3 MET 38 HG1 MET 38 -2.155 -2.712 -3.979 286 HE1 MET 38 HE1 MET 38 -4.109 -0.193 -4.633 287 HE2 MET 38 HE2 MET 38 -3.360 -1.195 -5.875 288 HE3 MET 38 HE3 MET 38 -3.205 0.558 -5.949 289 H GLN 39 HN GLN 39 -2.115 -4.684 -2.853 290 HA GLN 39 HA GLN 39 -4.233 -5.846 -4.538 291 HB2 GLN 39 HB2 GLN 39 -1.299 -5.637 -5.205 292 HB3 GLN 39 HB1 GLN 39 -2.575 -6.218 -6.264 293 HG2 GLN 39 HG2 GLN 39 -3.572 -3.980 -6.270 294 HG3 GLN 39 HG1 GLN 39 -2.271 -3.404 -5.229 295 HE21 GLN 39 HE21 GLN 39 -1.502 -1.920 -6.688 296 HE22 GLN 39 HE22 GLN 39 -0.706 -2.365 -8.154 297 H GLY 40 HN GLY 40 -4.528 -7.975 -4.468 298 HA2 GLY 40 HA2 GLY 40 -2.956 -9.551 -2.600 299 HA3 GLY 40 HA1 GLY 40 -4.401 -10.071 -3.460 300 H SER 41 HN SER 41 -1.178 -8.913 -4.410 301 HA SER 41 HA SER 41 -1.123 -10.808 -6.598 302 HB2 SER 41 HB2 SER 41 -0.310 -8.404 -6.752 303 HB3 SER 41 HB1 SER 41 1.058 -8.888 -5.751 304 HG SER 41 HG SER 41 1.093 -10.657 -7.584 305 H SER 42 HN SER 42 0.539 -10.215 -3.542 306 HA SER 42 HA SER 42 2.228 -12.529 -3.795 307 HB2 SER 42 HB2 SER 42 2.950 -10.587 -2.466 308 HB3 SER 42 HB1 SER 42 1.578 -10.814 -1.382 309 HG SER 42 HG SER 42 2.565 -12.428 -0.433 310 H ARG 43 HN ARG 43 1.773 -14.558 -3.204 311 HA ARG 43 HA ARG 43 -0.845 -15.029 -1.938 312 HB2 ARG 43 HB2 ARG 43 -0.723 -17.278 -2.917 313 HB3 ARG 43 HB1 ARG 43 -0.608 -16.021 -4.140 314 HG2 ARG 43 HG2 ARG 43 1.844 -16.326 -4.181 315 HG3 ARG 43 HG1 ARG 43 1.669 -17.648 -3.024 316 HD2 ARG 43 HD2 ARG 43 1.858 -18.447 -5.347 317 HD3 ARG 43 HD1 ARG 43 0.324 -18.898 -4.602 318 HE ARG 43 HE ARG 43 0.179 -16.433 -6.067 319 HH11 ARG 43 HH11 ARG 43 0.111 -19.916 -6.406 320 HH12 ARG 43 HH12 ARG 43 -0.881 -19.880 -7.830 321 HH21 ARG 43 HH21 ARG 43 -1.132 -16.385 -7.919 322 HH22 ARG 43 HH22 ARG 43 -1.605 -17.875 -8.678 323 H ASN 44 HN ASN 44 2.416 -15.043 -1.235 324 HA ASN 44 HA ASN 44 2.061 -16.315 1.282 325 HB2 ASN 44 HB2 ASN 44 2.170 -18.324 -0.190 326 HB3 ASN 44 HB1 ASN 44 3.770 -17.817 -0.715 327 HD21 ASN 44 HD21 ASN 44 4.747 -19.663 0.064 328 HD22 ASN 44 HD22 ASN 44 4.960 -19.970 1.756 329 H LEU 45 HN LEU 45 4.465 -15.579 -1.216 330 HA LEU 45 HA LEU 45 6.380 -14.375 -1.205 331 HB2 LEU 45 HB2 LEU 45 5.130 -12.662 0.056 332 HB3 LEU 45 HB1 LEU 45 5.544 -13.473 1.554 333 HG LEU 45 HG LEU 45 7.929 -13.008 1.150 334 HD11 LEU 45 HD11 LEU 45 6.925 -11.474 -1.243 335 HD12 LEU 45 HD12 LEU 45 7.899 -12.943 -1.282 336 HD13 LEU 45 HD13 LEU 45 8.573 -11.454 -0.623 337 HD21 LEU 45 HD21 LEU 45 6.141 -10.579 1.036 338 HD22 LEU 45 HD22 LEU 45 7.831 -10.590 1.539 339 HD23 LEU 45 HD23 LEU 45 6.623 -11.454 2.491 340 H GLU 46 HN GLU 46 7.689 -16.102 -1.300 341 HA GLU 46 HA GLU 46 8.466 -17.507 1.121 342 HB2 GLU 46 HB2 GLU 46 9.251 -17.953 -1.765 343 HB3 GLU 46 HB1 GLU 46 9.662 -19.011 -0.422 344 HG2 GLU 46 HG2 GLU 46 7.353 -19.569 -0.084 345 HG3 GLU 46 HG1 GLU 46 6.850 -18.391 -1.297 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -22.377 0.236 -1.641 2 H2 GLY 1 HT2 GLY 1 -23.069 -0.258 -0.170 3 H3 GLY 1 HT3 GLY 1 -21.386 -0.128 -0.313 4 HA2 GLY 1 HA1 GLY 1 -23.330 2.113 -0.443 5 HA3 GLY 1 HA2 GLY 1 -22.274 1.743 0.914 6 H SER 2 HN SER 2 -21.940 4.184 0.182 7 HA SER 2 HA SER 2 -19.884 4.332 -1.888 8 HB2 SER 2 HB2 SER 2 -21.761 5.988 -1.858 9 HB3 SER 2 HB1 SER 2 -21.166 6.578 -0.308 10 HG SER 2 HG SER 2 -19.268 6.447 -2.323 11 H LEU 3 HN LEU 3 -18.452 3.046 -0.451 12 HA LEU 3 HA LEU 3 -17.337 4.461 1.824 13 HB2 LEU 3 HB2 LEU 3 -16.049 2.500 2.264 14 HB3 LEU 3 HB1 LEU 3 -17.701 2.022 1.930 15 HG LEU 3 HG LEU 3 -15.573 1.935 -0.184 16 HD11 LEU 3 HD11 LEU 3 -15.263 -0.433 0.332 17 HD12 LEU 3 HD12 LEU 3 -16.351 -0.280 1.712 18 HD13 LEU 3 HD13 LEU 3 -14.809 0.575 1.708 19 HD21 LEU 3 HD21 LEU 3 -17.735 1.782 -1.110 20 HD22 LEU 3 HD22 LEU 3 -18.286 0.701 0.165 21 HD23 LEU 3 HD23 LEU 3 -17.128 0.126 -1.038 22 H ASP 4 HN ASP 4 -17.109 5.327 -1.022 23 HA ASP 4 HA ASP 4 -14.558 4.872 -2.076 24 HB2 ASP 4 HB2 ASP 4 -16.215 7.377 -2.428 25 HB3 ASP 4 HB1 ASP 4 -15.011 6.733 -3.540 26 H GLU 5 HN GLU 5 -15.711 7.353 0.169 27 HA GLU 5 HA GLU 5 -13.429 8.962 0.178 28 HB2 GLU 5 HB2 GLU 5 -15.653 9.430 1.315 29 HB3 GLU 5 HB1 GLU 5 -15.102 8.384 2.620 30 HG2 GLU 5 HG2 GLU 5 -13.064 9.898 2.750 31 HG3 GLU 5 HG1 GLU 5 -13.970 11.012 1.729 32 H ASP 6 HN ASP 6 -14.247 6.146 2.182 33 HA ASP 6 HA ASP 6 -11.830 6.129 3.671 34 HB2 ASP 6 HB2 ASP 6 -13.796 4.959 4.503 35 HB3 ASP 6 HB1 ASP 6 -13.809 3.912 3.088 36 H GLU 7 HN GLU 7 -12.931 4.551 0.721 37 HA GLU 7 HA GLU 7 -10.676 2.981 0.197 38 HB2 GLU 7 HB2 GLU 7 -12.752 4.243 -1.588 39 HB3 GLU 7 HB1 GLU 7 -11.396 3.341 -2.272 40 HG2 GLU 7 HG2 GLU 7 -12.066 1.384 -0.943 41 HG3 GLU 7 HG1 GLU 7 -13.453 2.291 -0.337 42 H GLU 8 HN GLU 8 -11.377 6.335 -0.743 43 HA GLU 8 HA GLU 8 -8.966 6.702 -2.164 44 HB2 GLU 8 HB2 GLU 8 -10.872 8.683 -0.930 45 HB3 GLU 8 HB1 GLU 8 -9.463 9.160 -1.868 46 HG2 GLU 8 HG2 GLU 8 -10.378 7.757 -3.745 47 HG3 GLU 8 HG1 GLU 8 -11.860 7.607 -2.802 48 H ASP 9 HN ASP 9 -9.859 7.440 1.204 49 HA ASP 9 HA ASP 9 -7.376 8.587 1.905 50 HB2 ASP 9 HB2 ASP 9 -9.599 7.349 3.479 51 HB3 ASP 9 HB1 ASP 9 -8.068 7.681 4.281 52 H LEU 10 HN LEU 10 -8.495 5.253 1.831 53 HA LEU 10 HA LEU 10 -6.246 4.118 3.115 54 HB2 LEU 10 HB2 LEU 10 -8.520 3.060 2.680 55 HB3 LEU 10 HB1 LEU 10 -7.966 2.763 1.046 56 HG LEU 10 HG LEU 10 -7.814 0.819 2.674 57 HD11 LEU 10 HD11 LEU 10 -5.216 1.640 1.394 58 HD12 LEU 10 HD12 LEU 10 -6.581 0.940 0.532 59 HD13 LEU 10 HD13 LEU 10 -5.752 0.002 1.773 60 HD21 LEU 10 HD21 LEU 10 -6.025 0.763 4.245 61 HD22 LEU 10 HD22 LEU 10 -6.957 2.232 4.547 62 HD23 LEU 10 HD23 LEU 10 -5.416 2.322 3.693 63 H GLN 11 HN GLN 11 -7.065 4.314 -0.382 64 HA GLN 11 HA GLN 11 -4.537 3.398 -1.234 65 HB2 GLN 11 HB2 GLN 11 -5.104 4.275 -3.439 66 HB3 GLN 11 HB1 GLN 11 -6.465 3.416 -2.734 67 HG2 GLN 11 HG2 GLN 11 -7.518 5.522 -2.153 68 HG3 GLN 11 HG1 GLN 11 -6.134 6.406 -2.798 69 HE21 GLN 11 HE21 GLN 11 -8.953 6.473 -3.576 70 HE22 GLN 11 HE22 GLN 11 -8.994 6.085 -5.265 71 H ARG 12 HN ARG 12 -5.668 6.585 -0.310 72 HA ARG 12 HA ARG 12 -3.462 8.095 -1.175 73 HB2 ARG 12 HB2 ARG 12 -5.391 9.264 -0.423 74 HB3 ARG 12 HB1 ARG 12 -5.359 8.449 1.134 75 HG2 ARG 12 HG2 ARG 12 -4.614 10.748 1.324 76 HG3 ARG 12 HG1 ARG 12 -3.318 9.626 1.729 77 HD2 ARG 12 HD2 ARG 12 -2.459 9.913 -0.603 78 HD3 ARG 12 HD1 ARG 12 -3.663 11.183 -0.830 79 HE ARG 12 HE ARG 12 -2.344 11.936 1.426 80 HH11 ARG 12 HH11 ARG 12 -1.349 11.121 -1.841 81 HH12 ARG 12 HH12 ARG 12 0.065 12.132 -1.807 82 HH21 ARG 12 HH21 ARG 12 -0.471 13.245 1.497 83 HH22 ARG 12 HH22 ARG 12 0.580 13.328 0.112 84 H ALA 13 HN ALA 13 -4.077 6.605 2.012 85 HA ALA 13 HA ALA 13 -1.652 7.149 3.217 86 HB1 ALA 13 HB1 ALA 13 -2.098 5.178 4.633 87 HB2 ALA 13 HB2 ALA 13 -3.388 4.698 3.526 88 HB3 ALA 13 HB3 ALA 13 -3.517 6.206 4.431 89 H LEU 14 HN LEU 14 -2.470 4.571 0.960 90 HA LEU 14 HA LEU 14 0.006 3.188 1.175 91 HB2 LEU 14 HB2 LEU 14 -2.007 3.227 -1.075 92 HB3 LEU 14 HB1 LEU 14 -0.678 2.089 -0.928 93 HG LEU 14 HG LEU 14 -3.031 2.327 0.947 94 HD11 LEU 14 HD11 LEU 14 -2.260 0.208 -1.055 95 HD12 LEU 14 HD12 LEU 14 -3.627 1.318 -1.174 96 HD13 LEU 14 HD13 LEU 14 -3.593 0.092 0.093 97 HD21 LEU 14 HD21 LEU 14 -2.105 0.306 2.008 98 HD22 LEU 14 HD22 LEU 14 -1.038 1.700 2.177 99 HD23 LEU 14 HD23 LEU 14 -0.672 0.447 0.990 100 H ALA 15 HN ALA 15 -1.251 5.514 -1.226 101 HA ALA 15 HA ALA 15 1.094 5.682 -2.774 102 HB1 ALA 15 HB1 ALA 15 0.155 7.795 -3.612 103 HB2 ALA 15 HB2 ALA 15 -1.051 7.754 -2.325 104 HB3 ALA 15 HB3 ALA 15 -1.048 6.506 -3.572 105 H LEU 16 HN LEU 16 0.002 7.415 0.057 106 HA LEU 16 HA LEU 16 1.959 9.399 0.212 107 HB2 LEU 16 HB2 LEU 16 -0.203 9.247 1.453 108 HB3 LEU 16 HB1 LEU 16 0.507 8.004 2.458 109 HG LEU 16 HG LEU 16 1.783 10.709 2.313 110 HD11 LEU 16 HD11 LEU 16 0.321 11.130 4.410 111 HD12 LEU 16 HD12 LEU 16 -0.742 9.894 3.715 112 HD13 LEU 16 HD13 LEU 16 -0.390 11.370 2.815 113 HD21 LEU 16 HD21 LEU 16 2.492 10.145 4.564 114 HD22 LEU 16 HD22 LEU 16 2.923 8.830 3.467 115 HD23 LEU 16 HD23 LEU 16 1.526 8.670 4.532 116 H SER 17 HN SER 17 1.849 6.147 1.669 117 HA SER 17 HA SER 17 4.404 6.396 2.891 118 HB2 SER 17 HB2 SER 17 4.177 3.857 3.104 119 HB3 SER 17 HB1 SER 17 2.934 4.838 3.878 120 HG SER 17 HG SER 17 1.488 4.194 2.448 121 H ARG 18 HN ARG 18 3.344 5.450 -0.283 122 HA ARG 18 HA ARG 18 5.713 4.237 -1.196 123 HB2 ARG 18 HB2 ARG 18 3.631 5.880 -2.629 124 HB3 ARG 18 HB1 ARG 18 5.016 5.193 -3.461 125 HG2 ARG 18 HG2 ARG 18 4.275 2.944 -2.712 126 HG3 ARG 18 HG1 ARG 18 2.822 3.695 -2.045 127 HD2 ARG 18 HD2 ARG 18 2.389 2.774 -4.267 128 HD3 ARG 18 HD1 ARG 18 2.230 4.530 -4.267 129 HE ARG 18 HE ARG 18 4.504 3.026 -5.396 130 HH11 ARG 18 HH11 ARG 18 2.471 5.874 -5.290 131 HH12 ARG 18 HH12 ARG 18 3.360 6.718 -6.527 132 HH21 ARG 18 HH21 ARG 18 5.633 4.083 -7.065 133 HH22 ARG 18 HH22 ARG 18 5.141 5.679 -7.568 134 H GLN 19 HN GLN 19 4.686 7.600 -0.997 135 HA GLN 19 HA GLN 19 7.042 8.766 -2.061 136 HB2 GLN 19 HB2 GLN 19 5.237 10.001 0.017 137 HB3 GLN 19 HB1 GLN 19 6.215 10.827 -1.186 138 HG2 GLN 19 HG2 GLN 19 3.882 9.054 -1.852 139 HG3 GLN 19 HG1 GLN 19 3.767 10.799 -1.640 140 HE21 GLN 19 HE21 GLN 19 6.366 11.306 -2.862 141 HE22 GLN 19 HE22 GLN 19 6.154 11.056 -4.565 142 H GLU 20 HN GLU 20 5.959 7.935 1.167 143 HA GLU 20 HA GLU 20 8.011 9.094 2.665 144 HB2 GLU 20 HB2 GLU 20 6.210 6.735 3.188 145 HB3 GLU 20 HB1 GLU 20 7.320 7.376 4.398 146 HG2 GLU 20 HG2 GLU 20 5.079 8.892 3.075 147 HG3 GLU 20 HG1 GLU 20 5.058 8.226 4.708 148 H ILE 21 HN ILE 21 7.830 5.975 1.052 149 HA ILE 21 HA ILE 21 10.387 5.163 2.177 150 HB ILE 21 HB ILE 21 8.532 3.768 0.253 151 HG12 ILE 21 HG12 ILE 21 7.772 3.853 2.577 152 HG13 ILE 21 HG11 ILE 21 8.190 2.208 2.108 153 HG21 ILE 21 HG21 ILE 21 10.139 1.782 0.848 154 HG22 ILE 21 HG22 ILE 21 11.312 3.084 1.080 155 HG23 ILE 21 HG23 ILE 21 10.510 2.882 -0.477 156 HD11 ILE 21 HD11 ILE 21 9.821 4.088 3.794 157 HD12 ILE 21 HD12 ILE 21 10.380 2.522 3.211 158 HD13 ILE 21 HD13 ILE 21 9.005 2.610 4.312 159 H ASP 22 HN ASP 22 9.236 5.018 -1.165 160 HA ASP 22 HA ASP 22 10.423 5.022 -3.112 161 HB2 ASP 22 HB2 ASP 22 9.758 7.465 -2.471 162 HB3 ASP 22 HB1 ASP 22 11.488 7.692 -2.237 163 H MET 23 HN MET 23 11.822 3.402 -1.611 164 HA MET 23 HA MET 23 14.597 4.134 -2.147 165 HB2 MET 23 HB2 MET 23 13.790 4.410 0.334 166 HB3 MET 23 HB1 MET 23 13.949 2.660 0.380 167 HG2 MET 23 HG2 MET 23 16.267 2.764 -0.069 168 HG3 MET 23 HG1 MET 23 16.174 4.465 -0.526 169 HE1 MET 23 HE1 MET 23 15.919 6.452 1.166 170 HE2 MET 23 HE2 MET 23 15.599 6.241 2.888 171 HE3 MET 23 HE3 MET 23 14.392 5.750 1.700 172 H GLU 24 HN GLU 24 15.752 1.586 -1.253 173 HA GLU 24 HA GLU 24 14.631 0.198 -3.594 174 HB2 GLU 24 HB2 GLU 24 16.998 -0.038 -4.424 175 HB3 GLU 24 HB1 GLU 24 16.283 1.567 -4.500 176 HG2 GLU 24 HG2 GLU 24 17.460 2.147 -2.404 177 HG3 GLU 24 HG1 GLU 24 18.244 0.567 -2.449 178 H ASP 25 HN ASP 25 16.431 -0.304 -0.570 179 HA ASP 25 HA ASP 25 16.973 -3.048 -1.476 180 HB2 ASP 25 HB2 ASP 25 18.853 -1.727 -0.501 181 HB3 ASP 25 HB1 ASP 25 18.009 -1.740 1.044 182 H GLU 26 HN GLU 26 16.652 -2.395 1.939 183 HA GLU 26 HA GLU 26 14.672 -4.498 2.144 184 HB2 GLU 26 HB2 GLU 26 15.930 -2.703 4.230 185 HB3 GLU 26 HB1 GLU 26 14.793 -3.994 4.594 186 HG2 GLU 26 HG2 GLU 26 17.475 -4.339 3.282 187 HG3 GLU 26 HG1 GLU 26 17.102 -4.678 4.972 188 H GLU 27 HN GLU 27 14.880 -1.071 2.339 189 HA GLU 27 HA GLU 27 12.383 -0.370 3.364 190 HB2 GLU 27 HB2 GLU 27 13.532 1.237 1.124 191 HB3 GLU 27 HB1 GLU 27 12.862 1.777 2.654 192 HG2 GLU 27 HG2 GLU 27 15.139 2.278 2.772 193 HG3 GLU 27 HG1 GLU 27 14.938 0.818 3.739 194 H ALA 28 HN ALA 28 13.380 -1.453 0.221 195 HA ALA 28 HA ALA 28 11.182 -0.637 -1.311 196 HB1 ALA 28 HB1 ALA 28 12.905 -3.075 -1.724 197 HB2 ALA 28 HB2 ALA 28 13.305 -1.443 -2.254 198 HB3 ALA 28 HB3 ALA 28 11.905 -2.270 -2.935 199 H ASP 29 HN ASP 29 11.671 -3.453 0.753 200 HA ASP 29 HA ASP 29 9.434 -4.931 -0.177 201 HB2 ASP 29 HB2 ASP 29 11.212 -6.026 1.070 202 HB3 ASP 29 HB1 ASP 29 10.851 -5.049 2.490 203 H LEU 30 HN LEU 30 9.805 -2.388 2.189 204 HA LEU 30 HA LEU 30 7.260 -2.645 3.394 205 HB2 LEU 30 HB2 LEU 30 9.132 -0.303 3.088 206 HB3 LEU 30 HB1 LEU 30 7.564 -0.129 3.852 207 HG LEU 30 HG LEU 30 8.259 -1.878 5.511 208 HD11 LEU 30 HD11 LEU 30 10.973 -1.469 4.273 209 HD12 LEU 30 HD12 LEU 30 10.017 -2.951 4.219 210 HD13 LEU 30 HD13 LEU 30 10.634 -2.356 5.760 211 HD21 LEU 30 HD21 LEU 30 8.328 0.474 6.076 212 HD22 LEU 30 HD22 LEU 30 9.927 0.627 5.350 213 HD23 LEU 30 HD23 LEU 30 9.706 -0.362 6.792 214 H ARG 31 HN ARG 31 8.403 -0.556 0.747 215 HA ARG 31 HA ARG 31 5.826 0.434 0.086 216 HB2 ARG 31 HB2 ARG 31 7.915 1.576 -0.578 217 HB3 ARG 31 HB1 ARG 31 8.297 0.241 -1.657 218 HG2 ARG 31 HG2 ARG 31 6.667 0.859 -3.157 219 HG3 ARG 31 HG1 ARG 31 5.756 1.770 -1.945 220 HD2 ARG 31 HD2 ARG 31 6.754 3.526 -2.917 221 HD3 ARG 31 HD1 ARG 31 8.068 3.094 -1.849 222 HE ARG 31 HE ARG 31 8.597 1.657 -4.084 223 HH11 ARG 31 HH11 ARG 31 7.942 5.058 -3.512 224 HH12 ARG 31 HH12 ARG 31 8.980 5.609 -4.794 225 HH21 ARG 31 HH21 ARG 31 9.927 2.368 -5.786 226 HH22 ARG 31 HH22 ARG 31 10.103 4.070 -6.107 227 H ARG 32 HN ARG 32 7.647 -2.389 -0.815 228 HA ARG 32 HA ARG 32 6.125 -3.355 -2.950 229 HB2 ARG 32 HB2 ARG 32 8.253 -4.352 -2.332 230 HB3 ARG 32 HB1 ARG 32 7.614 -4.828 -0.769 231 HG2 ARG 32 HG2 ARG 32 5.977 -6.286 -2.004 232 HG3 ARG 32 HG1 ARG 32 6.908 -5.943 -3.463 233 HD2 ARG 32 HD2 ARG 32 8.027 -7.149 -0.938 234 HD3 ARG 32 HD1 ARG 32 7.555 -8.065 -2.367 235 HE ARG 32 HE ARG 32 9.321 -6.318 -3.389 236 HH11 ARG 32 HH11 ARG 32 9.488 -8.249 -0.477 237 HH12 ARG 32 HH12 ARG 32 11.181 -8.614 -0.647 238 HH21 ARG 32 HH21 ARG 32 11.567 -6.752 -3.606 239 HH22 ARG 32 HH22 ARG 32 12.360 -7.768 -2.438 240 H ALA 33 HN ALA 33 5.755 -3.831 0.555 241 HA ALA 33 HA ALA 33 3.472 -5.479 0.433 242 HB1 ALA 33 HB1 ALA 33 3.152 -4.929 2.782 243 HB2 ALA 33 HB2 ALA 33 4.292 -3.591 2.640 244 HB3 ALA 33 HB3 ALA 33 4.855 -5.252 2.446 245 H ILE 34 HN ILE 34 3.872 -1.991 0.443 246 HA ILE 34 HA ILE 34 1.123 -1.345 0.735 247 HB ILE 34 HB ILE 34 3.584 0.139 -0.028 248 HG12 ILE 34 HG12 ILE 34 2.707 1.708 1.704 249 HG13 ILE 34 HG11 ILE 34 1.317 0.652 1.905 250 HG21 ILE 34 HG21 ILE 34 2.330 2.152 -0.625 251 HG22 ILE 34 HG22 ILE 34 0.833 1.220 -0.595 252 HG23 ILE 34 HG23 ILE 34 2.079 0.846 -1.785 253 HD11 ILE 34 HD11 ILE 34 4.187 -0.017 2.493 254 HD12 ILE 34 HD12 ILE 34 2.844 -1.152 2.607 255 HD13 ILE 34 HD13 ILE 34 2.896 0.261 3.661 256 H GLN 35 HN GLN 35 3.246 -1.853 -2.034 257 HA GLN 35 HA GLN 35 1.284 -1.229 -4.004 258 HB2 GLN 35 HB2 GLN 35 3.653 -1.196 -4.567 259 HB3 GLN 35 HB1 GLN 35 3.793 -2.911 -4.199 260 HG2 GLN 35 HG2 GLN 35 2.303 -3.448 -6.038 261 HG3 GLN 35 HG1 GLN 35 2.099 -1.735 -6.390 262 HE21 GLN 35 HE21 GLN 35 3.116 -3.936 -8.034 263 HE22 GLN 35 HE22 GLN 35 4.677 -3.422 -8.577 264 H LEU 36 HN LEU 36 2.063 -4.051 -2.154 265 HA LEU 36 HA LEU 36 0.713 -5.982 -3.699 266 HB2 LEU 36 HB2 LEU 36 2.351 -6.642 -2.072 267 HB3 LEU 36 HB1 LEU 36 1.487 -5.837 -0.783 268 HG LEU 36 HG LEU 36 1.414 -8.379 -0.844 269 HD11 LEU 36 HD11 LEU 36 -1.196 -8.259 -0.447 270 HD12 LEU 36 HD12 LEU 36 -0.861 -6.517 -0.505 271 HD13 LEU 36 HD13 LEU 36 -0.042 -7.541 0.679 272 HD21 LEU 36 HD21 LEU 36 1.006 -8.701 -3.207 273 HD22 LEU 36 HD22 LEU 36 -0.512 -7.811 -3.092 274 HD23 LEU 36 HD23 LEU 36 -0.335 -9.360 -2.270 275 H SER 37 HN SER 37 -0.295 -4.039 -0.890 276 HA SER 37 HA SER 37 -2.957 -4.964 -0.872 277 HB2 SER 37 HB2 SER 37 -3.322 -2.737 0.422 278 HB3 SER 37 HB1 SER 37 -2.297 -3.984 1.129 279 HG SER 37 HG SER 37 -1.159 -1.982 -0.498 280 H MET 38 HN MET 38 -1.362 -2.849 -3.008 281 HA MET 38 HA MET 38 -3.804 -1.578 -3.935 282 HB2 MET 38 HB2 MET 38 -0.948 -1.528 -4.900 283 HB3 MET 38 HB1 MET 38 -2.252 -0.838 -5.851 284 HG2 MET 38 HG2 MET 38 -2.789 0.660 -3.973 285 HG3 MET 38 HG1 MET 38 -1.411 0.004 -3.088 286 HE1 MET 38 HE1 MET 38 -0.647 2.616 -2.836 287 HE2 MET 38 HE2 MET 38 -1.979 3.147 -3.864 288 HE3 MET 38 HE3 MET 38 -0.331 3.661 -4.222 289 H GLN 39 HN GLN 39 -1.345 -3.669 -5.406 290 HA GLN 39 HA GLN 39 -3.467 -5.129 -6.791 291 HB2 GLN 39 HB2 GLN 39 -2.013 -5.192 -8.820 292 HB3 GLN 39 HB1 GLN 39 -2.602 -3.587 -8.411 293 HG2 GLN 39 HG2 GLN 39 -0.465 -2.994 -7.468 294 HG3 GLN 39 HG1 GLN 39 0.141 -4.627 -7.743 295 HE21 GLN 39 HE21 GLN 39 -0.716 -1.594 -9.206 296 HE22 GLN 39 HE22 GLN 39 0.020 -1.904 -10.741 297 H GLY 40 HN GLY 40 -3.307 -7.244 -6.434 298 HA2 GLY 40 HA2 GLY 40 -1.188 -8.914 -6.674 299 HA3 GLY 40 HA1 GLY 40 -1.017 -8.293 -5.039 300 H SER 41 HN SER 41 -1.302 -10.571 -4.433 301 HA SER 41 HA SER 41 -4.138 -11.365 -4.481 302 HB2 SER 41 HB2 SER 41 -1.731 -13.194 -4.317 303 HB3 SER 41 HB1 SER 41 -3.419 -13.680 -4.468 304 HG SER 41 HG SER 41 -3.470 -12.812 -6.529 305 H SER 42 HN SER 42 -4.774 -12.749 -2.643 306 HA SER 42 HA SER 42 -3.093 -12.601 -0.278 307 HB2 SER 42 HB2 SER 42 -5.978 -11.656 -0.301 308 HB3 SER 42 HB1 SER 42 -4.968 -11.830 1.137 309 HG SER 42 HG SER 42 -3.826 -10.320 -0.855 310 H ARG 43 HN ARG 43 -4.392 -13.932 1.546 311 HA ARG 43 HA ARG 43 -4.426 -16.562 0.580 312 HB2 ARG 43 HB2 ARG 43 -5.636 -15.495 3.130 313 HB3 ARG 43 HB1 ARG 43 -5.316 -17.187 2.785 314 HG2 ARG 43 HG2 ARG 43 -2.901 -16.614 2.558 315 HG3 ARG 43 HG1 ARG 43 -3.298 -14.987 3.119 316 HD2 ARG 43 HD2 ARG 43 -2.547 -16.269 4.997 317 HD3 ARG 43 HD1 ARG 43 -4.284 -15.996 5.160 318 HE ARG 43 HE ARG 43 -3.657 -18.473 3.858 319 HH11 ARG 43 HH11 ARG 43 -4.029 -16.894 6.972 320 HH12 ARG 43 HH12 ARG 43 -4.367 -18.377 7.820 321 HH21 ARG 43 HH21 ARG 43 -4.113 -20.424 4.965 322 HH22 ARG 43 HH22 ARG 43 -4.456 -20.375 6.674 323 H ASN 44 HN ASN 44 -7.265 -15.007 2.086 324 HA ASN 44 HA ASN 44 -8.936 -16.579 0.237 325 HB2 ASN 44 HB2 ASN 44 -9.218 -16.875 2.757 326 HB3 ASN 44 HB1 ASN 44 -9.847 -15.230 2.787 327 HD21 ASN 44 HD21 ASN 44 -11.860 -15.912 3.503 328 HD22 ASN 44 HD22 ASN 44 -12.988 -16.707 2.460 329 H LEU 45 HN LEU 45 -7.730 -14.380 -0.801 330 HA LEU 45 HA LEU 45 -10.016 -12.698 -1.422 331 HB2 LEU 45 HB2 LEU 45 -8.863 -11.524 0.415 332 HB3 LEU 45 HB1 LEU 45 -7.372 -11.553 -0.508 333 HG LEU 45 HG LEU 45 -8.479 -10.155 -2.247 334 HD11 LEU 45 HD11 LEU 45 -10.564 -9.030 -1.705 335 HD12 LEU 45 HD12 LEU 45 -10.685 -9.943 -0.202 336 HD13 LEU 45 HD13 LEU 45 -10.795 -10.778 -1.752 337 HD21 LEU 45 HD21 LEU 45 -8.415 -8.081 -0.935 338 HD22 LEU 45 HD22 LEU 45 -7.057 -9.144 -0.560 339 HD23 LEU 45 HD23 LEU 45 -8.424 -9.032 0.549 340 H GLU 46 HN GLU 46 -10.094 -12.298 -3.529 341 HA GLU 46 HA GLU 46 -7.692 -12.863 -5.125 342 HB2 GLU 46 HB2 GLU 46 -9.363 -13.562 -6.917 343 HB3 GLU 46 HB1 GLU 46 -9.196 -14.638 -5.536 344 HG2 GLU 46 HG2 GLU 46 -11.222 -13.648 -4.550 345 HG3 GLU 46 HG1 GLU 46 -11.402 -12.640 -5.984 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -22.712 -1.388 -2.668 2 H2 GLY 1 HT2 GLY 1 -21.660 -1.836 -1.416 3 H3 GLY 1 HT3 GLY 1 -21.949 -2.901 -2.702 4 HA2 GLY 1 HA1 GLY 1 -19.794 -1.859 -2.950 5 HA3 GLY 1 HA2 GLY 1 -20.886 -1.404 -4.249 6 H SER 2 HN SER 2 -19.348 0.361 -4.493 7 HA SER 2 HA SER 2 -18.786 2.544 -4.373 8 HB2 SER 2 HB2 SER 2 -21.450 2.719 -2.953 9 HB3 SER 2 HB1 SER 2 -20.517 4.119 -3.483 10 HG SER 2 HG SER 2 -20.832 3.561 -5.574 11 H LEU 3 HN LEU 3 -17.260 1.269 -2.695 12 HA LEU 3 HA LEU 3 -17.400 2.754 -0.166 13 HB2 LEU 3 HB2 LEU 3 -15.858 0.298 -0.948 14 HB3 LEU 3 HB1 LEU 3 -15.556 1.177 0.546 15 HG LEU 3 HG LEU 3 -18.200 0.913 0.702 16 HD11 LEU 3 HD11 LEU 3 -18.228 -0.393 -1.421 17 HD12 LEU 3 HD12 LEU 3 -18.963 -1.194 -0.037 18 HD13 LEU 3 HD13 LEU 3 -17.355 -1.672 -0.574 19 HD21 LEU 3 HD21 LEU 3 -16.177 -1.150 1.571 20 HD22 LEU 3 HD22 LEU 3 -17.797 -0.956 2.242 21 HD23 LEU 3 HD23 LEU 3 -16.600 0.324 2.439 22 H ASP 4 HN ASP 4 -16.696 3.739 -2.745 23 HA ASP 4 HA ASP 4 -13.950 4.140 -3.147 24 HB2 ASP 4 HB2 ASP 4 -16.264 5.946 -3.889 25 HB3 ASP 4 HB1 ASP 4 -14.635 6.065 -4.548 26 H GLU 5 HN GLU 5 -16.293 5.900 -1.229 27 HA GLU 5 HA GLU 5 -14.868 8.203 -0.646 28 HB2 GLU 5 HB2 GLU 5 -16.698 6.708 1.239 29 HB3 GLU 5 HB1 GLU 5 -16.281 8.414 1.319 30 HG2 GLU 5 HG2 GLU 5 -17.789 7.101 -0.925 31 HG3 GLU 5 HG1 GLU 5 -18.515 8.022 0.391 32 H ASP 6 HN ASP 6 -14.706 5.009 0.829 33 HA ASP 6 HA ASP 6 -12.678 5.824 2.731 34 HB2 ASP 6 HB2 ASP 6 -13.906 3.155 2.039 35 HB3 ASP 6 HB1 ASP 6 -12.563 3.304 3.167 36 H GLU 7 HN GLU 7 -12.882 4.032 -0.292 37 HA GLU 7 HA GLU 7 -10.311 2.973 -0.351 38 HB2 GLU 7 HB2 GLU 7 -12.161 3.769 -2.592 39 HB3 GLU 7 HB1 GLU 7 -10.620 2.960 -2.865 40 HG2 GLU 7 HG2 GLU 7 -11.453 1.140 -1.325 41 HG3 GLU 7 HG1 GLU 7 -13.037 1.911 -1.430 42 H GLU 8 HN GLU 8 -11.450 6.143 -1.458 43 HA GLU 8 HA GLU 8 -9.108 6.952 -2.757 44 HB2 GLU 8 HB2 GLU 8 -11.160 8.600 -1.275 45 HB3 GLU 8 HB1 GLU 8 -9.920 9.269 -2.327 46 HG2 GLU 8 HG2 GLU 8 -11.976 7.276 -3.239 47 HG3 GLU 8 HG1 GLU 8 -12.185 9.022 -3.356 48 H ASP 9 HN ASP 9 -10.067 7.349 0.652 49 HA ASP 9 HA ASP 9 -7.637 8.678 1.368 50 HB2 ASP 9 HB2 ASP 9 -9.725 8.980 2.658 51 HB3 ASP 9 HB1 ASP 9 -9.646 7.294 3.164 52 H LEU 10 HN LEU 10 -8.728 5.369 1.282 53 HA LEU 10 HA LEU 10 -6.617 4.186 2.740 54 HB2 LEU 10 HB2 LEU 10 -8.865 3.212 1.811 55 HB3 LEU 10 HB1 LEU 10 -7.918 2.842 0.385 56 HG LEU 10 HG LEU 10 -8.105 0.890 1.796 57 HD11 LEU 10 HD11 LEU 10 -5.333 2.060 1.944 58 HD12 LEU 10 HD12 LEU 10 -6.006 1.114 0.617 59 HD13 LEU 10 HD13 LEU 10 -5.745 0.363 2.191 60 HD21 LEU 10 HD21 LEU 10 -8.545 1.597 3.928 61 HD22 LEU 10 HD22 LEU 10 -7.264 2.803 3.901 62 HD23 LEU 10 HD23 LEU 10 -6.859 1.094 4.081 63 H GLN 11 HN GLN 11 -7.082 4.720 -0.754 64 HA GLN 11 HA GLN 11 -4.522 3.838 -1.541 65 HB2 GLN 11 HB2 GLN 11 -6.346 5.841 -2.889 66 HB3 GLN 11 HB1 GLN 11 -4.952 5.075 -3.639 67 HG2 GLN 11 HG2 GLN 11 -6.018 2.895 -3.411 68 HG3 GLN 11 HG1 GLN 11 -7.406 3.654 -2.631 69 HE21 GLN 11 HE21 GLN 11 -8.868 3.027 -4.163 70 HE22 GLN 11 HE22 GLN 11 -8.905 3.681 -5.762 71 H ARG 12 HN ARG 12 -5.749 6.986 -0.514 72 HA ARG 12 HA ARG 12 -3.469 8.521 -0.991 73 HB2 ARG 12 HB2 ARG 12 -5.574 9.520 -0.240 74 HB3 ARG 12 HB1 ARG 12 -5.396 8.738 1.329 75 HG2 ARG 12 HG2 ARG 12 -4.710 11.007 1.560 76 HG3 ARG 12 HG1 ARG 12 -3.266 9.998 1.629 77 HD2 ARG 12 HD2 ARG 12 -2.581 11.667 0.191 78 HD3 ARG 12 HD1 ARG 12 -3.178 10.453 -0.939 79 HE ARG 12 HE ARG 12 -4.869 12.702 -0.050 80 HH11 ARG 12 HH11 ARG 12 -3.385 10.827 -2.621 81 HH12 ARG 12 HH12 ARG 12 -4.380 11.521 -3.869 82 HH21 ARG 12 HH21 ARG 12 -6.182 13.603 -1.696 83 HH22 ARG 12 HH22 ARG 12 -5.955 13.104 -3.347 84 H ALA 13 HN ALA 13 -4.332 6.582 1.860 85 HA ALA 13 HA ALA 13 -2.052 7.134 3.391 86 HB1 ALA 13 HB1 ALA 13 -2.617 5.082 4.627 87 HB2 ALA 13 HB2 ALA 13 -3.776 4.653 3.364 88 HB3 ALA 13 HB3 ALA 13 -4.029 6.099 4.342 89 H LEU 14 HN LEU 14 -2.657 4.677 0.938 90 HA LEU 14 HA LEU 14 -0.228 3.270 1.234 91 HB2 LEU 14 HB2 LEU 14 -1.986 3.598 -1.201 92 HB3 LEU 14 HB1 LEU 14 -0.691 2.422 -1.045 93 HG LEU 14 HG LEU 14 -3.174 2.501 0.674 94 HD11 LEU 14 HD11 LEU 14 -2.416 0.678 -1.603 95 HD12 LEU 14 HD12 LEU 14 -3.708 1.879 -1.607 96 HD13 LEU 14 HD13 LEU 14 -3.814 0.473 -0.547 97 HD21 LEU 14 HD21 LEU 14 -2.406 0.284 1.425 98 HD22 LEU 14 HD22 LEU 14 -1.284 1.570 1.868 99 HD23 LEU 14 HD23 LEU 14 -0.914 0.508 0.510 100 H ALA 15 HN ALA 15 -1.184 5.840 -1.043 101 HA ALA 15 HA ALA 15 1.371 6.098 -2.245 102 HB1 ALA 15 HB1 ALA 15 0.514 8.173 -3.182 103 HB2 ALA 15 HB2 ALA 15 -0.843 8.138 -2.056 104 HB3 ALA 15 HB3 ALA 15 -0.695 6.895 -3.298 105 H LEU 16 HN LEU 16 -0.172 7.587 0.522 106 HA LEU 16 HA LEU 16 1.650 9.592 1.127 107 HB2 LEU 16 HB2 LEU 16 -0.570 9.102 2.210 108 HB3 LEU 16 HB1 LEU 16 0.208 7.806 3.089 109 HG LEU 16 HG LEU 16 1.241 10.608 3.351 110 HD11 LEU 16 HD11 LEU 16 -0.335 10.626 5.406 111 HD12 LEU 16 HD12 LEU 16 -1.253 9.416 4.493 112 HD13 LEU 16 HD13 LEU 16 -0.990 11.023 3.818 113 HD21 LEU 16 HD21 LEU 16 1.911 9.823 5.544 114 HD22 LEU 16 HD22 LEU 16 2.505 8.704 4.313 115 HD23 LEU 16 HD23 LEU 16 1.089 8.286 5.279 116 H SER 17 HN SER 17 1.588 6.192 2.214 117 HA SER 17 HA SER 17 4.042 6.281 3.588 118 HB2 SER 17 HB2 SER 17 2.335 4.501 3.896 119 HB3 SER 17 HB1 SER 17 2.736 3.873 2.297 120 HG SER 17 HG SER 17 5.022 3.986 3.402 121 H ARG 18 HN ARG 18 3.268 5.838 0.209 122 HA ARG 18 HA ARG 18 5.740 4.770 -0.638 123 HB2 ARG 18 HB2 ARG 18 3.663 6.402 -2.092 124 HB3 ARG 18 HB1 ARG 18 5.097 5.765 -2.882 125 HG2 ARG 18 HG2 ARG 18 4.406 3.492 -2.306 126 HG3 ARG 18 HG1 ARG 18 2.961 4.136 -1.523 127 HD2 ARG 18 HD2 ARG 18 2.153 5.010 -3.613 128 HD3 ARG 18 HD1 ARG 18 3.654 4.573 -4.425 129 HE ARG 18 HE ARG 18 2.015 2.457 -3.234 130 HH11 ARG 18 HH11 ARG 18 3.244 4.076 -6.076 131 HH12 ARG 18 HH12 ARG 18 2.886 2.755 -7.148 132 HH21 ARG 18 HH21 ARG 18 1.511 0.718 -4.646 133 HH22 ARG 18 HH22 ARG 18 1.911 0.839 -6.332 134 H GLN 19 HN GLN 19 4.569 8.128 -0.474 135 HA GLN 19 HA GLN 19 7.072 9.218 -1.344 136 HB2 GLN 19 HB2 GLN 19 6.121 11.394 -0.788 137 HB3 GLN 19 HB1 GLN 19 4.966 10.433 -1.700 138 HG2 GLN 19 HG2 GLN 19 3.797 9.880 0.373 139 HG3 GLN 19 HG1 GLN 19 4.954 10.854 1.277 140 HE21 GLN 19 HE21 GLN 19 2.055 11.115 1.007 141 HE22 GLN 19 HE22 GLN 19 1.774 12.722 0.428 142 H GLU 20 HN GLU 20 5.945 7.967 1.572 143 HA GLU 20 HA GLU 20 7.720 9.443 3.294 144 HB2 GLU 20 HB2 GLU 20 6.019 6.986 3.700 145 HB3 GLU 20 HB1 GLU 20 7.095 7.604 4.945 146 HG2 GLU 20 HG2 GLU 20 4.777 9.064 3.703 147 HG3 GLU 20 HG1 GLU 20 4.840 8.372 5.325 148 H ILE 21 HN ILE 21 7.968 6.780 1.179 149 HA ILE 21 HA ILE 21 10.125 5.488 2.564 150 HB ILE 21 HB ILE 21 9.224 5.110 -0.295 151 HG12 ILE 21 HG12 ILE 21 7.472 4.601 1.349 152 HG13 ILE 21 HG11 ILE 21 8.040 3.148 0.530 153 HG21 ILE 21 HG21 ILE 21 11.000 3.404 1.442 154 HG22 ILE 21 HG22 ILE 21 11.511 4.350 0.042 155 HG23 ILE 21 HG23 ILE 21 10.423 2.976 -0.169 156 HD11 ILE 21 HD11 ILE 21 8.738 4.060 3.304 157 HD12 ILE 21 HD12 ILE 21 9.470 2.684 2.486 158 HD13 ILE 21 HD13 ILE 21 7.745 2.673 2.850 159 H ASP 22 HN ASP 22 10.215 6.616 -0.798 160 HA ASP 22 HA ASP 22 12.047 7.249 -2.037 161 HB2 ASP 22 HB2 ASP 22 10.880 9.336 -1.062 162 HB3 ASP 22 HB1 ASP 22 12.283 9.456 -0.002 163 H MET 23 HN MET 23 13.064 5.250 -0.871 164 HA MET 23 HA MET 23 15.400 6.098 0.714 165 HB2 MET 23 HB2 MET 23 13.573 4.876 1.956 166 HB3 MET 23 HB1 MET 23 13.894 3.482 0.938 167 HG2 MET 23 HG2 MET 23 16.102 3.257 1.841 168 HG3 MET 23 HG1 MET 23 15.936 4.766 2.736 169 HE1 MET 23 HE1 MET 23 12.964 4.585 3.797 170 HE2 MET 23 HE2 MET 23 14.315 5.087 4.814 171 HE3 MET 23 HE3 MET 23 13.202 3.845 5.380 172 H GLU 24 HN GLU 24 17.274 4.674 0.523 173 HA GLU 24 HA GLU 24 17.655 3.981 -2.275 174 HB2 GLU 24 HB2 GLU 24 19.278 5.443 -1.178 175 HB3 GLU 24 HB1 GLU 24 19.603 4.209 0.029 176 HG2 GLU 24 HG2 GLU 24 20.386 2.738 -1.864 177 HG3 GLU 24 HG1 GLU 24 20.298 4.168 -2.891 178 H ASP 25 HN ASP 25 17.741 2.443 0.908 179 HA ASP 25 HA ASP 25 17.949 -0.161 -0.460 180 HB2 ASP 25 HB2 ASP 25 20.040 0.495 0.798 181 HB3 ASP 25 HB1 ASP 25 19.090 0.420 2.280 182 H GLU 26 HN GLU 26 16.859 -1.924 0.542 183 HA GLU 26 HA GLU 26 15.231 -3.005 1.709 184 HB2 GLU 26 HB2 GLU 26 15.269 -0.543 3.441 185 HB3 GLU 26 HB1 GLU 26 14.295 -1.969 3.776 186 HG2 GLU 26 HG2 GLU 26 16.308 -3.320 3.966 187 HG3 GLU 26 HG1 GLU 26 17.297 -1.911 3.583 188 H GLU 27 HN GLU 27 14.728 0.068 0.358 189 HA GLU 27 HA GLU 27 12.056 0.567 0.771 190 HB2 GLU 27 HB2 GLU 27 12.122 1.914 -1.275 191 HB3 GLU 27 HB1 GLU 27 13.533 2.178 -0.267 192 HG2 GLU 27 HG2 GLU 27 14.452 2.088 -2.367 193 HG3 GLU 27 HG1 GLU 27 14.656 0.429 -1.814 194 H ALA 28 HN ALA 28 13.470 -1.837 -1.287 195 HA ALA 28 HA ALA 28 11.386 -2.318 -3.075 196 HB1 ALA 28 HB1 ALA 28 12.362 -4.543 -3.350 197 HB2 ALA 28 HB2 ALA 28 13.319 -4.311 -1.887 198 HB3 ALA 28 HB3 ALA 28 13.614 -3.304 -3.303 199 H ASP 29 HN ASP 29 11.993 -3.702 0.132 200 HA ASP 29 HA ASP 29 9.787 -5.480 0.085 201 HB2 ASP 29 HB2 ASP 29 11.663 -5.893 1.562 202 HB3 ASP 29 HB1 ASP 29 11.391 -4.365 2.397 203 H LEU 30 HN LEU 30 10.284 -2.300 1.548 204 HA LEU 30 HA LEU 30 7.734 -2.105 2.735 205 HB2 LEU 30 HB2 LEU 30 9.778 -0.038 1.949 206 HB3 LEU 30 HB1 LEU 30 8.243 0.412 2.663 207 HG LEU 30 HG LEU 30 8.825 -0.991 4.655 208 HD11 LEU 30 HD11 LEU 30 11.547 -1.112 3.372 209 HD12 LEU 30 HD12 LEU 30 10.445 -2.473 3.579 210 HD13 LEU 30 HD13 LEU 30 11.130 -1.671 4.993 211 HD21 LEU 30 HD21 LEU 30 9.141 1.419 4.670 212 HD22 LEU 30 HD22 LEU 30 10.749 1.222 3.973 213 HD23 LEU 30 HD23 LEU 30 10.409 0.608 5.590 214 H ARG 31 HN ARG 31 8.983 -1.083 -0.417 215 HA ARG 31 HA ARG 31 6.676 0.172 -1.374 216 HB2 ARG 31 HB2 ARG 31 9.159 -0.608 -2.413 217 HB3 ARG 31 HB1 ARG 31 7.945 -1.277 -3.487 218 HG2 ARG 31 HG2 ARG 31 8.459 0.819 -4.386 219 HG3 ARG 31 HG1 ARG 31 6.946 1.074 -3.511 220 HD2 ARG 31 HD2 ARG 31 8.224 1.938 -1.595 221 HD3 ARG 31 HD1 ARG 31 9.717 1.730 -2.512 222 HE ARG 31 HE ARG 31 7.550 3.552 -3.371 223 HH11 ARG 31 HH11 ARG 31 10.956 2.785 -3.042 224 HH12 ARG 31 HH12 ARG 31 11.486 4.381 -3.491 225 HH21 ARG 31 HH21 ARG 31 8.239 5.640 -3.949 226 HH22 ARG 31 HH22 ARG 31 9.938 6.013 -4.000 227 H ARG 32 HN ARG 32 7.751 -3.184 -1.535 228 HA ARG 32 HA ARG 32 5.623 -4.211 -3.037 229 HB2 ARG 32 HB2 ARG 32 7.765 -5.391 -2.605 230 HB3 ARG 32 HB1 ARG 32 7.258 -5.652 -0.940 231 HG2 ARG 32 HG2 ARG 32 5.318 -6.931 -1.770 232 HG3 ARG 32 HG1 ARG 32 5.920 -6.726 -3.414 233 HD2 ARG 32 HD2 ARG 32 8.025 -7.855 -2.707 234 HD3 ARG 32 HD1 ARG 32 7.266 -8.186 -1.149 235 HE ARG 32 HE ARG 32 5.898 -9.096 -3.573 236 HH11 ARG 32 HH11 ARG 32 7.747 -9.875 -0.693 237 HH12 ARG 32 HH12 ARG 32 7.411 -11.583 -0.795 238 HH21 ARG 32 HH21 ARG 32 5.465 -11.325 -3.711 239 HH22 ARG 32 HH22 ARG 32 6.125 -12.413 -2.520 240 H ALA 33 HN ALA 33 6.020 -3.787 0.452 241 HA ALA 33 HA ALA 33 3.747 -5.171 1.306 242 HB1 ALA 33 HB1 ALA 33 3.908 -3.867 3.349 243 HB2 ALA 33 HB2 ALA 33 4.978 -2.714 2.552 244 HB3 ALA 33 HB3 ALA 33 5.510 -4.375 2.817 245 H ILE 34 HN ILE 34 4.135 -1.781 0.335 246 HA ILE 34 HA ILE 34 1.438 -1.055 0.843 247 HB ILE 34 HB ILE 34 3.729 0.210 -0.584 248 HG12 ILE 34 HG12 ILE 34 3.298 2.035 0.942 249 HG13 ILE 34 HG11 ILE 34 1.774 1.314 1.443 250 HG21 ILE 34 HG21 ILE 34 2.294 2.092 -1.314 251 HG22 ILE 34 HG22 ILE 34 0.877 1.115 -0.921 252 HG23 ILE 34 HG23 ILE 34 1.986 0.590 -2.188 253 HD11 ILE 34 HD11 ILE 34 3.700 1.087 3.037 254 HD12 ILE 34 HD12 ILE 34 4.424 -0.013 1.863 255 HD13 ILE 34 HD13 ILE 34 2.878 -0.413 2.606 256 H GLN 35 HN GLN 35 3.172 -2.240 -1.967 257 HA GLN 35 HA GLN 35 1.042 -1.876 -3.823 258 HB2 GLN 35 HB2 GLN 35 3.470 -3.674 -3.955 259 HB3 GLN 35 HB1 GLN 35 2.389 -3.347 -5.303 260 HG2 GLN 35 HG2 GLN 35 2.966 -0.981 -5.203 261 HG3 GLN 35 HG1 GLN 35 4.030 -1.295 -3.835 262 HE21 GLN 35 HE21 GLN 35 3.725 -3.458 -6.555 263 HE22 GLN 35 HE22 GLN 35 5.293 -3.157 -7.221 264 H LEU 36 HN LEU 36 2.087 -4.582 -1.812 265 HA LEU 36 HA LEU 36 0.303 -6.504 -2.850 266 HB2 LEU 36 HB2 LEU 36 1.936 -7.468 -1.573 267 HB3 LEU 36 HB1 LEU 36 1.892 -6.210 -0.354 268 HG LEU 36 HG LEU 36 -0.544 -7.820 -0.482 269 HD11 LEU 36 HD11 LEU 36 2.081 -9.099 0.238 270 HD12 LEU 36 HD12 LEU 36 0.955 -9.591 -1.030 271 HD13 LEU 36 HD13 LEU 36 0.498 -9.753 0.665 272 HD21 LEU 36 HD21 LEU 36 -0.303 -7.769 1.920 273 HD22 LEU 36 HD22 LEU 36 -0.001 -6.155 1.267 274 HD23 LEU 36 HD23 LEU 36 1.351 -7.172 1.772 275 H SER 37 HN SER 37 -0.027 -4.109 -0.286 276 HA SER 37 HA SER 37 -2.571 -4.861 0.623 277 HB2 SER 37 HB2 SER 37 -1.324 -2.103 0.539 278 HB3 SER 37 HB1 SER 37 -2.706 -2.575 1.530 279 HG SER 37 HG SER 37 0.000 -3.357 1.751 280 H MET 38 HN MET 38 -1.655 -3.637 -2.381 281 HA MET 38 HA MET 38 -4.251 -2.437 -2.954 282 HB2 MET 38 HB2 MET 38 -1.807 -2.785 -4.702 283 HB3 MET 38 HB1 MET 38 -3.266 -1.915 -5.158 284 HG2 MET 38 HG2 MET 38 -2.871 -0.261 -3.462 285 HG3 MET 38 HG1 MET 38 -1.494 -1.173 -2.844 286 HE1 MET 38 HE1 MET 38 -2.896 0.891 -5.909 287 HE2 MET 38 HE2 MET 38 -2.464 -0.668 -6.608 288 HE3 MET 38 HE3 MET 38 -1.541 0.772 -7.034 289 H GLN 39 HN GLN 39 -2.981 -5.485 -2.850 290 HA GLN 39 HA GLN 39 -4.557 -6.444 -5.142 291 HB2 GLN 39 HB2 GLN 39 -2.551 -7.973 -3.486 292 HB3 GLN 39 HB1 GLN 39 -3.291 -8.495 -4.992 293 HG2 GLN 39 HG2 GLN 39 -2.137 -6.696 -6.177 294 HG3 GLN 39 HG1 GLN 39 -1.385 -6.187 -4.665 295 HE21 GLN 39 HE21 GLN 39 -1.933 -9.524 -5.548 296 HE22 GLN 39 HE22 GLN 39 -0.263 -9.947 -5.748 297 H GLY 40 HN GLY 40 -5.663 -8.602 -4.735 298 HA2 GLY 40 HA2 GLY 40 -6.171 -9.827 -2.389 299 HA3 GLY 40 HA1 GLY 40 -7.200 -8.412 -2.282 300 H SER 41 HN SER 41 -9.016 -8.258 -3.579 301 HA SER 41 HA SER 41 -10.075 -10.857 -4.250 302 HB2 SER 41 HB2 SER 41 -12.217 -9.457 -4.520 303 HB3 SER 41 HB1 SER 41 -11.513 -9.570 -2.907 304 HG SER 41 HG SER 41 -11.997 -7.390 -4.356 305 H SER 42 HN SER 42 -8.515 -10.895 -6.166 306 HA SER 42 HA SER 42 -9.036 -9.419 -8.494 307 HB2 SER 42 HB2 SER 42 -8.136 -12.306 -8.397 308 HB3 SER 42 HB1 SER 42 -7.782 -11.112 -9.648 309 HG SER 42 HG SER 42 -5.986 -11.223 -8.365 310 H ARG 43 HN ARG 43 -10.460 -12.386 -7.231 311 HA ARG 43 HA ARG 43 -12.886 -11.961 -8.706 312 HB2 ARG 43 HB2 ARG 43 -11.374 -13.090 -10.380 313 HB3 ARG 43 HB1 ARG 43 -11.289 -14.467 -9.293 314 HG2 ARG 43 HG2 ARG 43 -13.861 -14.474 -9.461 315 HG3 ARG 43 HG1 ARG 43 -13.608 -13.474 -10.893 316 HD2 ARG 43 HD2 ARG 43 -12.323 -15.179 -11.947 317 HD3 ARG 43 HD1 ARG 43 -12.258 -16.129 -10.462 318 HE ARG 43 HE ARG 43 -14.690 -15.689 -12.072 319 HH11 ARG 43 HH11 ARG 43 -12.779 -17.622 -9.872 320 HH12 ARG 43 HH12 ARG 43 -13.918 -18.931 -9.820 321 HH21 ARG 43 HH21 ARG 43 -16.200 -17.377 -12.009 322 HH22 ARG 43 HH22 ARG 43 -15.892 -18.788 -11.035 323 H ASN 44 HN ASN 44 -11.826 -12.343 -5.929 324 HA ASN 44 HA ASN 44 -13.572 -14.525 -5.102 325 HB2 ASN 44 HB2 ASN 44 -11.281 -15.474 -5.462 326 HB3 ASN 44 HB1 ASN 44 -10.675 -14.370 -4.233 327 HD21 ASN 44 HD21 ASN 44 -9.975 -16.082 -2.968 328 HD22 ASN 44 HD22 ASN 44 -11.079 -17.056 -2.050 329 H LEU 45 HN LEU 45 -14.594 -14.103 -3.237 330 HA LEU 45 HA LEU 45 -15.318 -13.030 -1.381 331 HB2 LEU 45 HB2 LEU 45 -12.455 -12.196 -1.325 332 HB3 LEU 45 HB1 LEU 45 -13.592 -11.355 -0.292 333 HG LEU 45 HG LEU 45 -12.513 -13.080 0.981 334 HD11 LEU 45 HD11 LEU 45 -14.873 -12.675 1.456 335 HD12 LEU 45 HD12 LEU 45 -14.433 -14.355 1.756 336 HD13 LEU 45 HD13 LEU 45 -15.325 -13.923 0.297 337 HD21 LEU 45 HD21 LEU 45 -11.825 -14.533 -0.855 338 HD22 LEU 45 HD22 LEU 45 -13.501 -15.028 -1.096 339 HD23 LEU 45 HD23 LEU 45 -12.665 -15.443 0.402 340 H GLU 46 HN GLU 46 -16.819 -11.982 -2.666 341 HA GLU 46 HA GLU 46 -18.039 -10.215 -3.347 342 HB2 GLU 46 HB2 GLU 46 -16.018 -8.660 -1.728 343 HB3 GLU 46 HB1 GLU 46 -17.482 -7.964 -2.411 344 HG2 GLU 46 HG2 GLU 46 -18.811 -9.583 -1.096 345 HG3 GLU 46 HG1 GLU 46 -17.320 -10.151 -0.350
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