NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
577419 | 2mkx | 19799 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 1 HT1 GLY 1 -0.300 12.937 -13.168 2 HA2 GLY 1 HA1 GLY 1 1.892 13.634 -12.356 3 HA3 GLY 1 HA2 GLY 1 0.910 12.847 -11.128 4 H THR 2 HN THR 2 1.859 11.309 -9.987 5 HA THR 2 HA THR 2 3.806 9.559 -11.255 6 HB THR 2 HB THR 2 5.142 11.445 -10.329 7 HG1 THR 2 HG1 THR 2 6.568 10.054 -9.106 8 HG21 THR 2 HG21 THR 2 3.768 12.070 -8.434 9 HG22 THR 2 HG22 THR 2 5.381 11.631 -7.874 10 HG23 THR 2 HG23 THR 2 4.042 10.499 -7.680 11 H ASN 3 HN ASN 3 4.088 7.575 -10.135 12 HA ASN 3 HA ASN 3 2.284 7.102 -7.862 13 HB2 ASN 3 HB2 ASN 3 2.389 5.383 -10.358 14 HB3 ASN 3 HB1 ASN 3 1.460 5.024 -8.908 15 HD21 ASN 3 HD21 ASN 3 -0.440 6.154 -8.517 16 HD22 ASN 3 HD22 ASN 3 -1.197 7.149 -9.714 17 H THR 4 HN THR 4 3.260 5.875 -6.301 18 HA THR 4 HA THR 4 5.687 4.435 -7.108 19 HB THR 4 HB THR 4 4.864 5.387 -4.353 20 HG1 THR 4 HG1 THR 4 6.588 6.453 -6.340 21 HG21 THR 4 HG21 THR 4 6.289 3.407 -4.242 22 HG22 THR 4 HG22 THR 4 7.196 4.832 -3.733 23 HG23 THR 4 HG23 THR 4 7.447 4.157 -5.342 24 H TYR 5 HN TYR 5 4.510 2.575 -7.839 25 HA TYR 5 HA TYR 5 2.758 1.336 -5.889 26 HB2 TYR 5 HB2 TYR 5 2.736 -0.531 -7.771 27 HB3 TYR 5 HB1 TYR 5 1.802 0.946 -7.941 28 HD1 TYR 5 HD1 TYR 5 4.983 -0.684 -8.964 29 HD2 TYR 5 HD2 TYR 5 2.132 2.367 -9.763 30 HE1 TYR 5 HE1 TYR 5 6.060 -0.257 -11.133 31 HE2 TYR 5 HE2 TYR 5 3.205 2.813 -11.933 32 HH TYR 5 HH TYR 5 5.168 2.468 -13.135 33 H TYR 6 HN TYR 6 3.312 -0.235 -4.562 34 HA TYR 6 HA TYR 6 6.134 -1.069 -4.597 35 HB2 TYR 6 HB2 TYR 6 6.116 0.447 -2.881 36 HB3 TYR 6 HB1 TYR 6 4.407 0.225 -2.558 37 HD1 TYR 6 HD2 TYR 6 7.797 -0.962 -1.790 38 HD2 TYR 6 HD1 TYR 6 3.647 -1.434 -0.975 39 HE1 TYR 6 HE2 TYR 6 8.344 -2.242 0.241 40 HE2 TYR 6 HE1 TYR 6 4.183 -2.704 1.058 41 HH TYR 6 HH TYR 6 7.310 -2.821 2.391 42 H THR 7 HN THR 7 6.569 -3.189 -4.292 43 HA THR 7 HA THR 7 4.376 -5.040 -3.934 44 HB THR 7 HB THR 7 6.388 -6.712 -3.708 45 HG1 THR 7 HG1 THR 7 7.589 -4.387 -4.820 46 HG21 THR 7 HG21 THR 7 6.443 -6.878 -6.190 47 HG22 THR 7 HG22 THR 7 5.522 -5.373 -6.257 48 HG23 THR 7 HG23 THR 7 4.825 -6.803 -5.490 49 H VAL 8 HN VAL 8 3.697 -5.843 -2.120 50 HA VAL 8 HA VAL 8 4.426 -4.754 0.332 51 HB VAL 8 HB VAL 8 3.053 -7.407 -0.086 52 HG11 VAL 8 HG11 VAL 8 2.964 -5.431 2.193 53 HG12 VAL 8 HG12 VAL 8 3.752 -7.010 2.211 54 HG13 VAL 8 HG13 VAL 8 1.998 -6.902 2.069 55 HG21 VAL 8 HG21 VAL 8 1.953 -4.592 -0.113 56 HG22 VAL 8 HG22 VAL 8 0.957 -6.037 0.053 57 HG23 VAL 8 HG23 VAL 8 1.896 -5.779 -1.416 58 H LYS 9 HN LYS 9 6.096 -5.037 1.535 59 HA LYS 9 HA LYS 9 7.674 -7.519 1.392 60 HB2 LYS 9 HB2 LYS 9 8.461 -4.840 1.141 61 HB3 LYS 9 HB1 LYS 9 8.951 -5.296 2.765 62 HG2 LYS 9 HG2 LYS 9 10.824 -5.855 1.592 63 HG3 LYS 9 HG1 LYS 9 9.953 -7.387 1.540 64 HD2 LYS 9 HD2 LYS 9 9.750 -5.319 -0.639 65 HD3 LYS 9 HD1 LYS 9 10.979 -6.580 -0.642 66 HE2 LYS 9 HE2 LYS 9 9.180 -8.278 -0.584 67 HE3 LYS 9 HE1 LYS 9 7.985 -6.983 -0.683 68 HZ1 LYS 9 HZ1 LYS 9 10.101 -7.451 -2.713 69 HZ2 LYS 9 HZ2 LYS 9 8.800 -6.373 -2.827 70 HZ3 LYS 9 HZ3 LYS 9 8.518 -8.043 -2.843 71 H SER 10 HN SER 10 9.003 -7.528 3.717 72 HA SER 10 HA SER 10 7.376 -8.499 5.657 73 HB2 SER 10 HB2 SER 10 9.855 -8.527 5.765 74 HB3 SER 10 HB1 SER 10 9.840 -6.814 6.186 75 HG SER 10 HG SER 10 8.962 -7.279 8.134 76 H GLY 11 HN GLY 11 5.743 -7.726 6.761 77 HA2 GLY 11 HA2 GLY 11 4.746 -5.815 8.030 78 HA3 GLY 11 HA1 GLY 11 5.317 -4.798 6.706 79 H ASP 12 HN ASP 12 4.044 -8.000 6.386 80 HA ASP 12 HA ASP 12 2.658 -7.591 4.054 81 HB2 ASP 12 HB2 ASP 12 1.719 -9.754 4.328 82 HB3 ASP 12 HB1 ASP 12 3.360 -9.785 4.979 83 H THR 13 HN THR 13 1.563 -6.190 6.832 84 HA THR 13 HA THR 13 -1.242 -6.774 6.148 85 HB THR 13 HB THR 13 -0.272 -5.859 8.861 86 HG1 THR 13 HG1 THR 13 -0.322 -8.415 7.696 87 HG21 THR 13 HG21 THR 13 -2.420 -6.743 9.627 88 HG22 THR 13 HG22 THR 13 -2.819 -7.225 7.978 89 HG23 THR 13 HG23 THR 13 -2.655 -5.516 8.382 90 H LEU 14 HN LEU 14 -2.683 -4.998 6.165 91 HA LEU 14 HA LEU 14 -1.595 -2.925 4.668 92 HB2 LEU 14 HB2 LEU 14 -3.886 -3.678 4.451 93 HB3 LEU 14 HB1 LEU 14 -4.258 -3.098 6.061 94 HG LEU 14 HG LEU 14 -3.898 -0.788 5.327 95 HD11 LEU 14 HD11 LEU 14 -2.221 -1.243 3.591 96 HD12 LEU 14 HD12 LEU 14 -3.558 -0.268 2.976 97 HD13 LEU 14 HD13 LEU 14 -3.470 -1.988 2.593 98 HD21 LEU 14 HD21 LEU 14 -5.847 -0.619 3.844 99 HD22 LEU 14 HD22 LEU 14 -6.131 -1.726 5.188 100 HD23 LEU 14 HD23 LEU 14 -5.784 -2.362 3.580 101 H ASN 15 HN ASN 15 -2.761 -2.871 8.023 102 HA ASN 15 HA ASN 15 -2.212 -0.128 8.412 103 HB2 ASN 15 HB2 ASN 15 -2.301 -0.766 10.888 104 HB3 ASN 15 HB1 ASN 15 -3.739 -1.074 9.927 105 HD21 ASN 15 HD21 ASN 15 -4.564 -2.673 11.160 106 HD22 ASN 15 HD22 ASN 15 -3.827 -4.228 11.347 107 H LYS 16 HN LYS 16 -0.208 -2.972 8.620 108 HA LYS 16 HA LYS 16 1.865 -1.788 10.181 109 HB2 LYS 16 HB2 LYS 16 1.639 -4.289 8.530 110 HB3 LYS 16 HB1 LYS 16 3.194 -3.792 9.185 111 HG2 LYS 16 HG2 LYS 16 2.587 -4.231 11.340 112 HG3 LYS 16 HG1 LYS 16 0.878 -3.919 11.040 113 HD2 LYS 16 HD2 LYS 16 1.404 -6.309 11.495 114 HD3 LYS 16 HD1 LYS 16 0.619 -6.034 9.942 115 HE2 LYS 16 HE2 LYS 16 2.850 -6.119 8.857 116 HE3 LYS 16 HE1 LYS 16 3.552 -6.528 10.422 117 HZ1 LYS 16 HZ1 LYS 16 2.438 -8.581 10.459 118 HZ2 LYS 16 HZ2 LYS 16 3.014 -8.444 8.873 119 HZ3 LYS 16 HZ3 LYS 16 1.384 -8.141 9.206 120 H ILE 17 HN ILE 17 1.485 -2.406 6.688 121 HA ILE 17 HA ILE 17 3.983 -1.166 6.057 122 HB ILE 17 HB ILE 17 2.863 -1.107 3.682 123 HG12 ILE 17 HG12 ILE 17 1.205 -3.199 5.092 124 HG13 ILE 17 HG11 ILE 17 0.606 -1.666 4.466 125 HG21 ILE 17 HG21 ILE 17 3.778 -3.616 5.050 126 HG22 ILE 17 HG22 ILE 17 4.788 -2.425 4.228 127 HG23 ILE 17 HG23 ILE 17 3.646 -3.401 3.304 128 HD11 ILE 17 HD11 ILE 17 0.088 -3.523 2.978 129 HD12 ILE 17 HD12 ILE 17 1.812 -3.873 2.813 130 HD13 ILE 17 HD13 ILE 17 1.157 -2.351 2.207 131 H ALA 18 HN ALA 18 0.625 -0.101 6.076 132 HA ALA 18 HA ALA 18 0.913 2.316 4.728 133 HB1 ALA 18 HB1 ALA 18 -0.890 1.703 7.064 134 HB2 ALA 18 HB2 ALA 18 -1.250 1.382 5.366 135 HB3 ALA 18 HB3 ALA 18 -1.081 3.043 5.932 136 H ALA 19 HN ALA 19 1.161 1.670 8.217 137 HA ALA 19 HA ALA 19 2.000 4.328 8.831 138 HB1 ALA 19 HB1 ALA 19 2.256 1.832 10.504 139 HB2 ALA 19 HB2 ALA 19 0.840 2.883 10.450 140 HB3 ALA 19 HB3 ALA 19 2.371 3.499 11.072 141 H GLN 20 HN GLN 20 3.565 1.480 7.732 142 HA GLN 20 HA GLN 20 6.149 1.943 8.793 143 HB2 GLN 20 HB2 GLN 20 5.212 -0.211 7.789 144 HB3 GLN 20 HB1 GLN 20 5.565 0.492 6.217 145 HG2 GLN 20 HG2 GLN 20 7.929 0.677 6.855 146 HG3 GLN 20 HG1 GLN 20 7.555 -0.093 8.396 147 HE21 GLN 20 HE21 GLN 20 6.971 -2.292 8.424 148 HE22 GLN 20 HE22 GLN 20 7.333 -3.334 7.086 149 H TYR 21 HN TYR 21 4.744 2.742 5.574 150 HA TYR 21 HA TYR 21 7.108 4.438 5.191 151 HB2 TYR 21 HB2 TYR 21 6.267 4.463 2.713 152 HB3 TYR 21 HB1 TYR 21 7.213 3.124 3.337 153 HD1 TYR 21 HD1 TYR 21 3.797 4.205 2.432 154 HD2 TYR 21 HD2 TYR 21 6.350 0.934 3.354 155 HE1 TYR 21 HE1 TYR 21 2.083 2.643 1.624 156 HE2 TYR 21 HE2 TYR 21 4.639 -0.637 2.557 157 HH TYR 21 HH TYR 21 1.961 0.337 0.748 158 H GLY 22 HN GLY 22 4.234 4.928 6.413 159 HA2 GLY 22 HA2 GLY 22 3.495 7.022 7.081 160 HA3 GLY 22 HA1 GLY 22 4.632 7.746 5.961 161 H VAL 23 HN VAL 23 1.873 5.554 5.431 162 HA VAL 23 HA VAL 23 0.493 7.778 4.096 163 HB VAL 23 HB VAL 23 1.373 6.462 2.270 164 HG11 VAL 23 HG11 VAL 23 0.874 4.091 2.006 165 HG12 VAL 23 HG12 VAL 23 0.040 4.088 3.559 166 HG13 VAL 23 HG13 VAL 23 1.777 4.388 3.492 167 HG21 VAL 23 HG21 VAL 23 -1.547 5.848 2.655 168 HG22 VAL 23 HG22 VAL 23 -0.668 5.792 1.126 169 HG23 VAL 23 HG23 VAL 23 -0.877 7.326 1.969 170 H SER 24 HN SER 24 -1.721 7.795 4.376 171 HA SER 24 HA SER 24 -2.706 6.424 6.651 172 HB2 SER 24 HB2 SER 24 -3.476 8.678 6.080 173 HB3 SER 24 HB1 SER 24 -4.164 8.076 4.574 174 HG SER 24 HG SER 24 -5.559 8.348 6.567 175 H VAL 25 HN VAL 25 -4.228 4.815 6.801 176 HA VAL 25 HA VAL 25 -4.279 2.769 4.901 177 HB VAL 25 HB VAL 25 -6.415 3.348 6.963 178 HG11 VAL 25 HG11 VAL 25 -5.548 0.783 5.638 179 HG12 VAL 25 HG12 VAL 25 -7.072 1.634 5.384 180 HG13 VAL 25 HG13 VAL 25 -6.719 0.903 6.951 181 HG21 VAL 25 HG21 VAL 25 -5.126 1.978 8.503 182 HG22 VAL 25 HG22 VAL 25 -4.173 3.364 7.970 183 HG23 VAL 25 HG23 VAL 25 -3.865 1.768 7.287 184 H ALA 26 HN ALA 26 -6.251 5.636 5.253 185 HA ALA 26 HA ALA 26 -8.442 4.741 3.697 186 HB1 ALA 26 HB1 ALA 26 -8.638 6.546 5.319 187 HB2 ALA 26 HB2 ALA 26 -9.161 7.068 3.717 188 HB3 ALA 26 HB3 ALA 26 -7.582 7.556 4.332 189 H ASN 27 HN ASN 27 -5.622 6.805 2.838 190 HA ASN 27 HA ASN 27 -6.663 7.129 0.181 191 HB2 ASN 27 HB2 ASN 27 -4.480 8.272 -0.334 192 HB3 ASN 27 HB1 ASN 27 -5.463 9.022 0.911 193 HD21 ASN 27 HD21 ASN 27 -2.678 9.346 0.375 194 HD22 ASN 27 HD22 ASN 27 -1.839 8.866 1.807 195 H LEU 28 HN LEU 28 -4.102 5.090 1.576 196 HA LEU 28 HA LEU 28 -3.298 4.307 -1.036 197 HB2 LEU 28 HB2 LEU 28 -1.704 3.012 -0.116 198 HB3 LEU 28 HB1 LEU 28 -2.015 4.069 1.238 199 HG LEU 28 HG LEU 28 -3.615 2.123 2.001 200 HD11 LEU 28 HD11 LEU 28 -1.660 0.763 0.141 201 HD12 LEU 28 HD12 LEU 28 -3.419 0.782 -0.010 202 HD13 LEU 28 HD13 LEU 28 -2.658 -0.075 1.335 203 HD21 LEU 28 HD21 LEU 28 -1.757 2.825 3.305 204 HD22 LEU 28 HD22 LEU 28 -0.606 2.189 2.128 205 HD23 LEU 28 HD23 LEU 28 -1.590 1.080 3.095 206 H ARG 29 HN ARG 29 -5.702 3.122 1.222 207 HA ARG 29 HA ARG 29 -6.493 0.857 -0.267 208 HB2 ARG 29 HB2 ARG 29 -7.901 2.644 1.685 209 HB3 ARG 29 HB1 ARG 29 -8.799 1.416 0.803 210 HG2 ARG 29 HG2 ARG 29 -7.364 -0.316 1.737 211 HG3 ARG 29 HG1 ARG 29 -6.437 0.916 2.602 212 HD2 ARG 29 HD2 ARG 29 -8.147 -0.213 4.008 213 HD3 ARG 29 HD1 ARG 29 -8.358 1.535 3.896 214 HE ARG 29 HE ARG 29 -9.886 -0.218 2.100 215 HH11 ARG 29 HH11 ARG 29 -9.831 2.058 4.771 216 HH12 ARG 29 HH12 ARG 29 -11.537 2.357 4.707 217 HH21 ARG 29 HH21 ARG 29 -12.131 0.218 1.999 218 HH22 ARG 29 HH22 ARG 29 -12.847 1.311 3.147 219 H SER 30 HN SER 30 -7.186 4.284 -0.615 220 HA SER 30 HA SER 30 -9.496 4.032 -2.204 221 HB2 SER 30 HB2 SER 30 -7.527 6.314 -1.982 222 HB3 SER 30 HB1 SER 30 -9.077 6.413 -2.816 223 HG SER 30 HG SER 30 -8.718 5.771 -0.061 224 H TRP 31 HN TRP 31 -6.064 4.427 -3.151 225 HA TRP 31 HA TRP 31 -6.886 4.236 -5.933 226 HB2 TRP 31 HB2 TRP 31 -4.340 4.364 -6.350 227 HB3 TRP 31 HB1 TRP 31 -5.182 5.796 -5.756 228 HD1 TRP 31 HD1 TRP 31 -3.438 2.785 -4.035 229 HE1 TRP 31 HE1 TRP 31 -1.982 3.710 -2.136 230 HE3 TRP 31 HE3 TRP 31 -4.362 7.783 -4.616 231 HZ2 TRP 31 HZ2 TRP 31 -1.294 6.183 -1.032 232 HZ3 TRP 31 HZ3 TRP 31 -3.234 9.358 -3.093 233 HH2 TRP 31 HH2 TRP 31 -1.744 8.569 -1.337 234 H ASN 32 HN ASN 32 -6.320 1.961 -3.595 235 HA ASN 32 HA ASN 32 -5.379 0.012 -5.593 236 HB2 ASN 32 HB2 ASN 32 -5.314 0.001 -2.593 237 HB3 ASN 32 HB1 ASN 32 -5.258 -1.516 -3.481 238 HD21 ASN 32 HD21 ASN 32 -3.563 1.284 -2.524 239 HD22 ASN 32 HD22 ASN 32 -2.028 0.864 -3.211 240 H GLY 33 HN GLY 33 -8.126 0.969 -3.759 241 HA2 GLY 33 HA2 GLY 33 -10.294 0.205 -3.774 242 HA3 GLY 33 HA1 GLY 33 -9.847 -0.854 -5.107 243 H ILE 34 HN ILE 34 -8.472 -0.754 -1.853 244 HA ILE 34 HA ILE 34 -9.164 -3.596 -1.594 245 HB ILE 34 HB ILE 34 -7.000 -2.001 -0.218 246 HG12 ILE 34 HG12 ILE 34 -6.878 -4.275 -2.211 247 HG13 ILE 34 HG11 ILE 34 -6.494 -2.590 -2.546 248 HG21 ILE 34 HG21 ILE 34 -6.356 -4.030 0.907 249 HG22 ILE 34 HG22 ILE 34 -7.622 -4.937 0.080 250 HG23 ILE 34 HG23 ILE 34 -8.054 -3.698 1.259 251 HD11 ILE 34 HD11 ILE 34 -4.484 -3.923 -2.262 252 HD12 ILE 34 HD12 ILE 34 -5.012 -4.390 -0.645 253 HD13 ILE 34 HD13 ILE 34 -4.621 -2.705 -0.992 254 H SER 35 HN SER 35 -10.615 -4.199 -0.162 255 HA SER 35 HA SER 35 -11.172 -2.442 2.137 256 HB2 SER 35 HB2 SER 35 -12.814 -4.701 0.975 257 HB3 SER 35 HB1 SER 35 -13.286 -3.679 2.332 258 HG SER 35 HG SER 35 -12.555 -2.387 -0.020 259 H GLY 36 HN GLY 36 -9.962 -3.028 3.844 260 HA2 GLY 36 HA2 GLY 36 -9.773 -4.533 5.704 261 HA3 GLY 36 HA1 GLY 36 -9.986 -5.874 4.590 262 H ASP 37 HN ASP 37 -8.082 -6.677 5.788 263 HA ASP 37 HA ASP 37 -5.552 -5.402 4.982 264 HB2 ASP 37 HB2 ASP 37 -6.211 -7.333 7.210 265 HB3 ASP 37 HB1 ASP 37 -4.561 -6.938 6.752 266 H LEU 38 HN LEU 38 -7.016 -6.987 3.085 267 HA LEU 38 HA LEU 38 -5.846 -9.611 3.044 268 HB2 LEU 38 HB2 LEU 38 -6.874 -9.660 0.682 269 HB3 LEU 38 HB1 LEU 38 -7.935 -9.642 2.074 270 HG LEU 38 HG LEU 38 -7.831 -7.000 1.581 271 HD11 LEU 38 HD11 LEU 38 -6.375 -7.219 -0.358 272 HD12 LEU 38 HD12 LEU 38 -7.965 -6.613 -0.823 273 HD13 LEU 38 HD13 LEU 38 -7.542 -8.299 -1.122 274 HD21 LEU 38 HD21 LEU 38 -9.843 -8.335 1.827 275 HD22 LEU 38 HD22 LEU 38 -9.620 -8.999 0.208 276 HD23 LEU 38 HD23 LEU 38 -9.964 -7.282 0.416 277 H ILE 39 HN ILE 39 -3.705 -8.563 3.315 278 HA ILE 39 HA ILE 39 -2.466 -8.051 0.698 279 HB ILE 39 HB ILE 39 -2.063 -6.647 3.325 280 HG12 ILE 39 HG12 ILE 39 -2.574 -5.716 0.493 281 HG13 ILE 39 HG11 ILE 39 -3.712 -5.688 1.834 282 HG21 ILE 39 HG21 ILE 39 -0.083 -5.549 2.421 283 HG22 ILE 39 HG22 ILE 39 -0.153 -6.594 0.999 284 HG23 ILE 39 HG23 ILE 39 0.158 -7.292 2.596 285 HD11 ILE 39 HD11 ILE 39 -2.267 -4.058 2.983 286 HD12 ILE 39 HD12 ILE 39 -2.857 -3.471 1.425 287 HD13 ILE 39 HD13 ILE 39 -1.200 -4.053 1.579 288 H PHE 40 HN PHE 40 -0.396 -8.903 0.392 289 HA PHE 40 HA PHE 40 0.831 -10.500 2.468 290 HB2 PHE 40 HB2 PHE 40 0.953 -12.511 0.962 291 HB3 PHE 40 HB1 PHE 40 -0.662 -12.155 1.562 292 HD1 PHE 40 HD1 PHE 40 1.527 -12.111 -1.388 293 HD2 PHE 40 HD2 PHE 40 -2.417 -11.506 0.088 294 HE1 PHE 40 HE1 PHE 40 0.668 -12.114 -3.693 295 HE2 PHE 40 HE2 PHE 40 -3.281 -11.506 -2.213 296 HZ PHE 40 HZ PHE 40 -1.740 -11.808 -4.108 297 H VAL 41 HN VAL 41 2.992 -11.224 1.839 298 HA VAL 41 HA VAL 41 4.472 -9.207 0.568 299 HB VAL 41 HB VAL 41 5.268 -12.072 1.133 300 HG11 VAL 41 HG11 VAL 41 6.985 -9.680 0.478 301 HG12 VAL 41 HG12 VAL 41 6.760 -11.118 -0.518 302 HG13 VAL 41 HG13 VAL 41 7.587 -11.242 1.034 303 HG21 VAL 41 HG21 VAL 41 6.318 -11.151 3.136 304 HG22 VAL 41 HG22 VAL 41 4.584 -10.827 3.119 305 HG23 VAL 41 HG23 VAL 41 5.724 -9.545 2.714 306 H GLY 42 HN GLY 42 4.962 -8.809 -1.522 307 HA2 GLY 42 HA2 GLY 42 5.519 -9.551 -3.735 308 HA3 GLY 42 HA1 GLY 42 4.521 -10.973 -3.472 309 H GLN 43 HN GLN 43 2.440 -9.119 -2.221 310 HA GLN 43 HA GLN 43 0.898 -8.701 -4.556 311 HB2 GLN 43 HB2 GLN 43 -0.248 -9.047 -2.468 312 HB3 GLN 43 HB1 GLN 43 0.561 -7.670 -1.731 313 HG2 GLN 43 HG2 GLN 43 -0.641 -6.140 -3.144 314 HG3 GLN 43 HG1 GLN 43 -1.357 -7.477 -4.043 315 HE21 GLN 43 HE21 GLN 43 -1.827 -9.067 -1.635 316 HE22 GLN 43 HE22 GLN 43 -3.169 -8.329 -0.826 317 H LYS 44 HN LYS 44 0.635 -6.970 -5.831 318 HA LYS 44 HA LYS 44 2.521 -4.773 -5.495 319 HB2 LYS 44 HB2 LYS 44 2.218 -6.062 -7.664 320 HB3 LYS 44 HB1 LYS 44 0.640 -5.302 -7.798 321 HG2 LYS 44 HG2 LYS 44 2.198 -4.106 -9.159 322 HG3 LYS 44 HG1 LYS 44 1.752 -3.093 -7.783 323 HD2 LYS 44 HD2 LYS 44 3.829 -3.169 -6.882 324 HD3 LYS 44 HD1 LYS 44 4.120 -4.824 -7.427 325 HE2 LYS 44 HE2 LYS 44 4.113 -2.407 -9.230 326 HE3 LYS 44 HE1 LYS 44 5.564 -3.137 -8.541 327 HZ1 LYS 44 HZ1 LYS 44 3.639 -4.646 -10.225 328 HZ2 LYS 44 HZ2 LYS 44 5.196 -5.124 -9.752 329 HZ3 LYS 44 HZ3 LYS 44 4.994 -3.850 -10.856 330 H LEU 45 HN LEU 45 1.774 -3.155 -4.216 331 HA LEU 45 HA LEU 45 -0.987 -2.281 -4.721 332 HB2 LEU 45 HB2 LEU 45 -1.316 -1.770 -2.442 333 HB3 LEU 45 HB1 LEU 45 -0.613 -3.373 -2.485 334 HG LEU 45 HG LEU 45 1.628 -2.157 -1.996 335 HD11 LEU 45 HD11 LEU 45 1.314 -0.127 -0.615 336 HD12 LEU 45 HD12 LEU 45 -0.388 -0.098 -1.086 337 HD13 LEU 45 HD13 LEU 45 0.869 0.127 -2.303 338 HD21 LEU 45 HD21 LEU 45 -0.536 -2.332 0.088 339 HD22 LEU 45 HD22 LEU 45 1.205 -2.396 0.366 340 HD23 LEU 45 HD23 LEU 45 0.403 -3.697 -0.519 341 H ILE 46 HN ILE 46 -1.369 -0.161 -5.036 342 HA ILE 46 HA ILE 46 0.851 1.497 -5.778 343 HB ILE 46 HB ILE 46 -2.099 2.182 -5.579 344 HG12 ILE 46 HG12 ILE 46 -1.972 2.153 -8.100 345 HG13 ILE 46 HG11 ILE 46 -0.395 1.381 -7.947 346 HG21 ILE 46 HG21 ILE 46 -0.716 4.172 -5.408 347 HG22 ILE 46 HG22 ILE 46 -1.569 4.137 -6.951 348 HG23 ILE 46 HG23 ILE 46 0.143 3.719 -6.879 349 HD11 ILE 46 HD11 ILE 46 -3.022 0.274 -6.975 350 HD12 ILE 46 HD12 ILE 46 -1.451 -0.508 -6.801 351 HD13 ILE 46 HD13 ILE 46 -2.132 -0.247 -8.407 352 H VAL 47 HN VAL 47 1.833 3.076 -4.559 353 HA VAL 47 HA VAL 47 0.179 4.414 -2.575 354 HB VAL 47 HB VAL 47 1.495 2.732 -1.300 355 HG11 VAL 47 HG11 VAL 47 3.516 2.645 -2.634 356 HG12 VAL 47 HG12 VAL 47 3.887 3.040 -0.956 357 HG13 VAL 47 HG13 VAL 47 3.903 4.306 -2.184 358 HG21 VAL 47 HG21 VAL 47 1.999 5.646 -0.784 359 HG22 VAL 47 HG22 VAL 47 2.425 4.374 0.360 360 HG23 VAL 47 HG23 VAL 47 0.739 4.610 -0.103 361 H LYS 48 HN LYS 48 0.156 6.450 -3.257 362 HA LYS 48 HA LYS 48 2.689 7.781 -3.700 363 HB2 LYS 48 HB2 LYS 48 1.808 8.928 -5.766 364 HB3 LYS 48 HB1 LYS 48 2.240 7.237 -5.936 365 HG2 LYS 48 HG2 LYS 48 0.271 7.180 -7.036 366 HG3 LYS 48 HG1 LYS 48 -0.357 6.942 -5.406 367 HD2 LYS 48 HD2 LYS 48 -0.775 9.364 -5.236 368 HD3 LYS 48 HD1 LYS 48 -0.196 9.565 -6.891 369 HE2 LYS 48 HE2 LYS 48 -1.983 8.154 -7.715 370 HE3 LYS 48 HE1 LYS 48 -2.533 7.848 -6.070 371 HZ1 LYS 48 HZ1 LYS 48 -2.573 10.451 -7.498 372 HZ2 LYS 48 HZ2 LYS 48 -2.973 10.254 -5.863 373 HZ3 LYS 48 HZ3 LYS 48 -3.915 9.506 -7.059 374 H LYS 49 HN LYS 49 2.816 9.546 -2.571 375 HA LYS 49 HA LYS 49 0.315 10.971 -1.934 376 HB2 LYS 49 HB2 LYS 49 1.102 11.483 0.231 377 HB3 LYS 49 HB1 LYS 49 1.478 9.784 0.001 378 HG2 LYS 49 HG2 LYS 49 3.463 12.009 -0.398 379 HG3 LYS 49 HG1 LYS 49 3.266 11.119 1.110 380 HD2 LYS 49 HD2 LYS 49 3.866 9.048 -0.005 381 HD3 LYS 49 HD1 LYS 49 3.978 9.890 -1.552 382 HE2 LYS 49 HE2 LYS 49 6.187 9.510 -0.533 383 HE3 LYS 49 HE1 LYS 49 5.825 11.225 -0.730 384 HZ1 LYS 49 HZ1 LYS 49 5.283 11.386 1.587 385 HZ2 LYS 49 HZ2 LYS 49 6.819 10.683 1.438 386 HZ3 LYS 49 HZ3 LYS 49 5.474 9.713 1.801 387 H GLY 50 HN GLY 50 0.653 13.314 -1.420 388 HA2 GLY 50 HA2 GLY 50 2.483 15.085 -1.723 389 HA3 GLY 50 HA1 GLY 50 2.593 14.415 -3.345 390 H SER 51 HN SER 51 -0.160 13.963 -3.769 391 HA SER 51 HA SER 51 -1.540 16.470 -3.360 392 HB2 SER 51 HB2 SER 51 -0.942 15.521 -6.173 393 HB3 SER 51 HB1 SER 51 -1.878 16.945 -5.724 394 HG SER 51 HG SER 51 0.395 17.230 -4.498 Start of MODEL 2 1 H GLY 1 HT1 GLY 1 0.861 13.717 -12.848 2 HA2 GLY 1 HA1 GLY 1 0.879 13.976 -9.893 3 HA3 GLY 1 HA2 GLY 1 -0.298 13.087 -10.853 4 H THR 2 HN THR 2 1.902 12.424 -8.778 5 HA THR 2 HA THR 2 3.566 10.573 -10.287 6 HB THR 2 HB THR 2 3.452 10.930 -7.285 7 HG1 THR 2 HG1 THR 2 3.907 12.960 -8.008 8 HG21 THR 2 HG21 THR 2 5.781 10.182 -7.371 9 HG22 THR 2 HG22 THR 2 5.679 10.038 -9.126 10 HG23 THR 2 HG23 THR 2 4.713 8.981 -8.096 11 H ASN 3 HN ASN 3 3.609 8.272 -9.753 12 HA ASN 3 HA ASN 3 1.540 7.255 -8.008 13 HB2 ASN 3 HB2 ASN 3 0.604 5.694 -9.678 14 HB3 ASN 3 HB1 ASN 3 0.308 7.370 -10.111 15 HD21 ASN 3 HD21 ASN 3 1.791 4.407 -11.016 16 HD22 ASN 3 HD22 ASN 3 2.407 4.931 -12.544 17 H THR 4 HN THR 4 2.641 5.932 -6.697 18 HA THR 4 HA THR 4 4.753 4.294 -7.921 19 HB THR 4 HB THR 4 4.432 5.261 -5.065 20 HG1 THR 4 HG1 THR 4 5.695 6.841 -5.649 21 HG21 THR 4 HG21 THR 4 6.615 3.569 -6.291 22 HG22 THR 4 HG22 THR 4 5.473 3.069 -5.042 23 HG23 THR 4 HG23 THR 4 6.686 4.301 -4.689 24 H TYR 5 HN TYR 5 4.791 2.073 -7.296 25 HA TYR 5 HA TYR 5 2.606 1.274 -5.533 26 HB2 TYR 5 HB2 TYR 5 2.718 -0.964 -6.955 27 HB3 TYR 5 HB1 TYR 5 1.692 0.379 -7.440 28 HD1 TYR 5 HD2 TYR 5 4.940 -1.281 -8.107 29 HD2 TYR 5 HD1 TYR 5 1.994 1.451 -9.497 30 HE1 TYR 5 HE2 TYR 5 6.031 -1.235 -10.309 31 HE2 TYR 5 HE1 TYR 5 3.063 1.505 -11.700 32 HH TYR 5 HH TYR 5 5.372 1.091 -12.637 33 H TYR 6 HN TYR 6 3.061 -0.470 -4.208 34 HA TYR 6 HA TYR 6 5.952 -0.875 -3.841 35 HB2 TYR 6 HB2 TYR 6 5.144 0.582 -2.127 36 HB3 TYR 6 HB1 TYR 6 3.721 -0.410 -1.860 37 HD1 TYR 6 HD2 TYR 6 7.452 -0.570 -1.581 38 HD2 TYR 6 HD1 TYR 6 3.687 -1.853 -0.080 39 HE1 TYR 6 HE2 TYR 6 8.582 -1.680 0.304 40 HE2 TYR 6 HE1 TYR 6 4.796 -2.958 1.807 41 HH TYR 6 HH TYR 6 8.062 -2.408 2.579 42 H THR 7 HN THR 7 6.617 -2.940 -3.825 43 HA THR 7 HA THR 7 4.707 -5.080 -3.701 44 HB THR 7 HB THR 7 7.024 -6.369 -3.328 45 HG1 THR 7 HG1 THR 7 7.839 -4.180 -4.943 46 HG21 THR 7 HG21 THR 7 7.097 -6.661 -5.763 47 HG22 THR 7 HG22 THR 7 5.999 -5.291 -5.949 48 HG23 THR 7 HG23 THR 7 5.453 -6.754 -5.122 49 H VAL 8 HN VAL 8 3.833 -5.751 -1.929 50 HA VAL 8 HA VAL 8 4.496 -4.777 0.602 51 HB VAL 8 HB VAL 8 2.969 -7.306 -0.034 52 HG11 VAL 8 HG11 VAL 8 3.690 -7.216 2.283 53 HG12 VAL 8 HG12 VAL 8 1.949 -6.947 2.178 54 HG13 VAL 8 HG13 VAL 8 3.038 -5.586 2.445 55 HG21 VAL 8 HG21 VAL 8 1.968 -5.395 -1.164 56 HG22 VAL 8 HG22 VAL 8 2.011 -4.458 0.327 57 HG23 VAL 8 HG23 VAL 8 0.962 -5.867 0.205 58 H LYS 9 HN LYS 9 5.992 -5.295 1.992 59 HA LYS 9 HA LYS 9 7.589 -7.699 1.526 60 HB2 LYS 9 HB2 LYS 9 8.276 -5.112 2.919 61 HB3 LYS 9 HB1 LYS 9 9.339 -6.516 2.865 62 HG2 LYS 9 HG2 LYS 9 8.327 -4.954 0.494 63 HG3 LYS 9 HG1 LYS 9 9.962 -4.912 1.160 64 HD2 LYS 9 HD2 LYS 9 10.540 -6.885 0.220 65 HD3 LYS 9 HD1 LYS 9 8.943 -7.589 0.470 66 HE2 LYS 9 HE2 LYS 9 8.067 -6.479 -1.449 67 HE3 LYS 9 HE1 LYS 9 9.535 -5.511 -1.631 68 HZ1 LYS 9 HZ1 LYS 9 9.262 -8.448 -2.035 69 HZ2 LYS 9 HZ2 LYS 9 10.741 -7.619 -2.060 70 HZ3 LYS 9 HZ3 LYS 9 9.561 -7.276 -3.228 71 H SER 10 HN SER 10 8.810 -8.037 3.914 72 HA SER 10 HA SER 10 7.233 -9.822 5.182 73 HB2 SER 10 HB2 SER 10 9.370 -8.153 6.507 74 HB3 SER 10 HB1 SER 10 8.790 -9.724 7.064 75 HG SER 10 HG SER 10 10.214 -9.121 4.675 76 H GLY 11 HN GLY 11 7.159 -6.372 5.822 77 HA2 GLY 11 HA2 GLY 11 5.297 -6.602 8.011 78 HA3 GLY 11 HA1 GLY 11 5.660 -5.137 7.101 79 H ASP 12 HN ASP 12 4.040 -8.254 6.786 80 HA ASP 12 HA ASP 12 2.848 -7.757 4.299 81 HB2 ASP 12 HB2 ASP 12 1.537 -9.763 4.679 82 HB3 ASP 12 HB1 ASP 12 3.227 -10.016 5.120 83 H THR 13 HN THR 13 1.930 -6.086 6.979 84 HA THR 13 HA THR 13 -0.928 -6.549 6.422 85 HB THR 13 HB THR 13 0.033 -5.523 9.077 86 HG1 THR 13 HG1 THR 13 0.365 -8.065 8.013 87 HG21 THR 13 HG21 THR 13 -2.361 -5.411 8.572 88 HG22 THR 13 HG22 THR 13 -2.046 -6.587 9.847 89 HG23 THR 13 HG23 THR 13 -2.370 -7.138 8.203 90 H LEU 14 HN LEU 14 -2.289 -4.781 6.396 91 HA LEU 14 HA LEU 14 -1.234 -2.688 4.920 92 HB2 LEU 14 HB2 LEU 14 -3.566 -3.488 4.835 93 HB3 LEU 14 HB1 LEU 14 -3.858 -2.756 6.399 94 HG LEU 14 HG LEU 14 -3.660 -0.554 5.515 95 HD11 LEU 14 HD11 LEU 14 -3.011 -0.097 3.219 96 HD12 LEU 14 HD12 LEU 14 -2.773 -1.820 2.930 97 HD13 LEU 14 HD13 LEU 14 -1.727 -0.963 4.062 98 HD21 LEU 14 HD21 LEU 14 -5.156 -2.261 3.529 99 HD22 LEU 14 HD22 LEU 14 -5.384 -0.532 3.789 100 HD23 LEU 14 HD23 LEU 14 -5.789 -1.676 5.070 101 H ASN 15 HN ASN 15 -2.240 -2.710 8.327 102 HA ASN 15 HA ASN 15 -1.796 0.025 8.781 103 HB2 ASN 15 HB2 ASN 15 -1.831 -0.489 11.150 104 HB3 ASN 15 HB1 ASN 15 -3.067 -1.434 10.327 105 HD21 ASN 15 HD21 ASN 15 -2.865 -3.647 10.199 106 HD22 ASN 15 HD22 ASN 15 -1.713 -4.531 11.155 107 H LYS 16 HN LYS 16 0.439 -2.705 8.804 108 HA LYS 16 HA LYS 16 2.511 -1.304 10.191 109 HB2 LYS 16 HB2 LYS 16 2.662 -3.769 8.444 110 HB3 LYS 16 HB1 LYS 16 3.971 -3.163 9.445 111 HG2 LYS 16 HG2 LYS 16 2.403 -3.457 11.420 112 HG3 LYS 16 HG1 LYS 16 1.371 -4.375 10.319 113 HD2 LYS 16 HD2 LYS 16 3.297 -5.851 9.813 114 HD3 LYS 16 HD1 LYS 16 4.245 -4.977 11.015 115 HE2 LYS 16 HE2 LYS 16 3.475 -6.906 12.114 116 HE3 LYS 16 HE1 LYS 16 2.433 -5.603 12.680 117 HZ1 LYS 16 HZ1 LYS 16 1.715 -7.464 10.478 118 HZ2 LYS 16 HZ2 LYS 16 0.702 -6.325 11.224 119 HZ3 LYS 16 HZ3 LYS 16 1.236 -7.675 12.092 120 H ILE 17 HN ILE 17 1.901 -2.088 6.783 121 HA ILE 17 HA ILE 17 4.289 -0.792 5.913 122 HB ILE 17 HB ILE 17 3.129 -0.983 3.616 123 HG12 ILE 17 HG12 ILE 17 1.462 -2.956 5.165 124 HG13 ILE 17 HG11 ILE 17 0.864 -1.431 4.516 125 HG21 ILE 17 HG21 ILE 17 5.022 -2.290 4.253 126 HG22 ILE 17 HG22 ILE 17 3.845 -3.333 3.456 127 HG23 ILE 17 HG23 ILE 17 4.002 -3.363 5.212 128 HD11 ILE 17 HD11 ILE 17 2.020 -3.678 2.880 129 HD12 ILE 17 HD12 ILE 17 1.328 -2.178 2.266 130 HD13 ILE 17 HD13 ILE 17 0.300 -3.346 3.095 131 H ALA 18 HN ALA 18 0.901 0.136 6.066 132 HA ALA 18 HA ALA 18 0.997 2.533 4.664 133 HB1 ALA 18 HB1 ALA 18 -1.062 1.487 5.534 134 HB2 ALA 18 HB2 ALA 18 -0.945 3.200 5.943 135 HB3 ALA 18 HB3 ALA 18 -0.592 1.974 7.162 136 H ALA 19 HN ALA 19 1.558 1.950 8.120 137 HA ALA 19 HA ALA 19 2.276 4.655 8.665 138 HB1 ALA 19 HB1 ALA 19 2.787 2.170 10.297 139 HB2 ALA 19 HB2 ALA 19 1.346 3.187 10.386 140 HB3 ALA 19 HB3 ALA 19 2.916 3.835 10.869 141 H GLN 20 HN GLN 20 3.925 1.923 7.423 142 HA GLN 20 HA GLN 20 6.554 2.518 8.262 143 HB2 GLN 20 HB2 GLN 20 5.664 0.336 7.280 144 HB3 GLN 20 HB1 GLN 20 5.834 1.091 5.705 145 HG2 GLN 20 HG2 GLN 20 8.131 0.883 7.616 146 HG3 GLN 20 HG1 GLN 20 7.711 -0.430 6.520 147 HE21 GLN 20 HE21 GLN 20 10.110 1.210 6.682 148 HE22 GLN 20 HE22 GLN 20 10.307 1.935 5.122 149 H TYR 21 HN TYR 21 4.824 3.361 5.223 150 HA TYR 21 HA TYR 21 7.037 5.214 4.699 151 HB2 TYR 21 HB2 TYR 21 5.791 5.302 2.343 152 HB3 TYR 21 HB1 TYR 21 7.031 4.124 2.731 153 HD1 TYR 21 HD2 TYR 21 3.304 4.509 2.900 154 HD2 TYR 21 HD1 TYR 21 6.622 1.923 2.269 155 HE1 TYR 21 HE2 TYR 21 1.768 2.688 2.293 156 HE2 TYR 21 HE1 TYR 21 5.094 0.100 1.652 157 HH TYR 21 HH TYR 21 2.749 -0.546 2.023 158 H GLY 22 HN GLY 22 4.183 5.388 6.156 159 HA2 GLY 22 HA2 GLY 22 3.306 7.346 7.030 160 HA3 GLY 22 HA1 GLY 22 4.337 8.252 5.940 161 H VAL 23 HN VAL 23 1.775 5.873 5.276 162 HA VAL 23 HA VAL 23 0.127 8.073 4.230 163 HB VAL 23 HB VAL 23 1.027 6.984 2.250 164 HG11 VAL 23 HG11 VAL 23 1.633 4.846 3.226 165 HG12 VAL 23 HG12 VAL 23 0.628 4.611 1.795 166 HG13 VAL 23 HG13 VAL 23 -0.071 4.430 3.406 167 HG21 VAL 23 HG21 VAL 23 -1.827 6.147 2.710 168 HG22 VAL 23 HG22 VAL 23 -1.028 6.286 1.144 169 HG23 VAL 23 HG23 VAL 23 -1.283 7.723 2.136 170 H SER 24 HN SER 24 -2.071 7.850 4.621 171 HA SER 24 HA SER 24 -2.750 6.207 6.835 172 HB2 SER 24 HB2 SER 24 -3.817 8.381 6.527 173 HB3 SER 24 HB1 SER 24 -4.516 7.844 4.999 174 HG SER 24 HG SER 24 -5.326 7.355 7.585 175 H VAL 25 HN VAL 25 -4.093 4.463 6.947 176 HA VAL 25 HA VAL 25 -4.113 2.504 5.000 177 HB VAL 25 HB VAL 25 -6.187 2.990 7.150 178 HG11 VAL 25 HG11 VAL 25 -5.493 0.457 5.674 179 HG12 VAL 25 HG12 VAL 25 -6.970 1.396 5.480 180 HG13 VAL 25 HG13 VAL 25 -6.631 0.592 7.013 181 HG21 VAL 25 HG21 VAL 25 -3.656 1.350 7.215 182 HG22 VAL 25 HG22 VAL 25 -4.861 1.441 8.501 183 HG23 VAL 25 HG23 VAL 25 -3.934 2.875 8.059 184 H ALA 26 HN ALA 26 -6.391 5.141 5.551 185 HA ALA 26 HA ALA 26 -8.498 4.099 4.008 186 HB1 ALA 26 HB1 ALA 26 -9.471 6.317 4.140 187 HB2 ALA 26 HB2 ALA 26 -7.927 6.982 4.674 188 HB3 ALA 26 HB3 ALA 26 -8.798 5.840 5.699 189 H ASN 27 HN ASN 27 -5.969 6.487 3.110 190 HA ASN 27 HA ASN 27 -7.133 6.746 0.497 191 HB2 ASN 27 HB2 ASN 27 -5.058 8.120 -0.030 192 HB3 ASN 27 HB1 ASN 27 -6.157 8.753 1.182 193 HD21 ASN 27 HD21 ASN 27 -3.412 9.405 0.717 194 HD22 ASN 27 HD22 ASN 27 -2.567 9.044 2.190 195 H LEU 28 HN LEU 28 -4.448 4.902 1.820 196 HA LEU 28 HA LEU 28 -3.475 4.345 -0.802 197 HB2 LEU 28 HB2 LEU 28 -1.754 3.209 0.124 198 HB3 LEU 28 HB1 LEU 28 -2.199 4.231 1.468 199 HG LEU 28 HG LEU 28 -3.576 2.152 2.250 200 HD11 LEU 28 HD11 LEU 28 -3.290 0.829 0.224 201 HD12 LEU 28 HD12 LEU 28 -2.487 0.032 1.579 202 HD13 LEU 28 HD13 LEU 28 -1.536 0.925 0.387 203 HD21 LEU 28 HD21 LEU 28 -1.721 3.059 3.475 204 HD22 LEU 28 HD22 LEU 28 -0.572 2.365 2.329 205 HD23 LEU 28 HD23 LEU 28 -1.524 1.308 3.376 206 H ARG 29 HN ARG 29 -5.746 2.719 1.364 207 HA ARG 29 HA ARG 29 -6.004 0.484 -0.389 208 HB2 ARG 29 HB2 ARG 29 -8.022 -0.098 0.864 209 HB3 ARG 29 HB1 ARG 29 -6.653 0.218 1.914 210 HG2 ARG 29 HG2 ARG 29 -7.623 2.536 2.241 211 HG3 ARG 29 HG1 ARG 29 -9.082 1.915 1.458 212 HD2 ARG 29 HD2 ARG 29 -9.311 0.199 3.132 213 HD3 ARG 29 HD1 ARG 29 -7.762 0.647 3.850 214 HE ARG 29 HE ARG 29 -8.806 2.316 4.994 215 HH11 ARG 29 HH11 ARG 29 -10.959 1.303 2.397 216 HH12 ARG 29 HH12 ARG 29 -12.313 2.185 3.037 217 HH21 ARG 29 HH21 ARG 29 -10.582 3.428 5.820 218 HH22 ARG 29 HH22 ARG 29 -12.108 3.372 4.993 219 H SER 30 HN SER 30 -7.450 3.664 -0.282 220 HA SER 30 HA SER 30 -9.710 3.103 -1.863 221 HB2 SER 30 HB2 SER 30 -8.236 5.691 -1.389 222 HB3 SER 30 HB1 SER 30 -9.760 5.580 -2.271 223 HG SER 30 HG SER 30 -9.240 5.030 0.456 224 H TRP 31 HN TRP 31 -6.457 4.323 -2.883 225 HA TRP 31 HA TRP 31 -7.357 4.337 -5.621 226 HB2 TRP 31 HB2 TRP 31 -4.864 4.667 -6.164 227 HB3 TRP 31 HB1 TRP 31 -5.712 5.959 -5.314 228 HD1 TRP 31 HD1 TRP 31 -4.193 2.827 -3.676 229 HE1 TRP 31 HE1 TRP 31 -2.400 3.587 -2.008 230 HE3 TRP 31 HE3 TRP 31 -4.180 7.839 -4.693 231 HZ2 TRP 31 HZ2 TRP 31 -1.121 5.964 -1.234 232 HZ3 TRP 31 HZ3 TRP 31 -2.610 9.277 -3.449 233 HH2 TRP 31 HH2 TRP 31 -1.124 8.359 -1.755 234 H ASN 32 HN ASN 32 -6.566 1.873 -3.612 235 HA ASN 32 HA ASN 32 -5.586 0.178 -5.793 236 HB2 ASN 32 HB2 ASN 32 -5.624 -0.116 -2.819 237 HB3 ASN 32 HB1 ASN 32 -5.609 -1.568 -3.817 238 HD21 ASN 32 HD21 ASN 32 -3.812 1.097 -2.626 239 HD22 ASN 32 HD22 ASN 32 -2.289 0.660 -3.327 240 H GLY 33 HN GLY 33 -8.424 0.964 -4.047 241 HA2 GLY 33 HA2 GLY 33 -10.588 0.219 -4.256 242 HA3 GLY 33 HA1 GLY 33 -10.067 -0.683 -5.675 243 H ILE 34 HN ILE 34 -9.031 -0.910 -2.290 244 HA ILE 34 HA ILE 34 -9.697 -3.781 -2.379 245 HB ILE 34 HB ILE 34 -7.692 -2.374 -0.605 246 HG12 ILE 34 HG12 ILE 34 -7.236 -4.229 -2.951 247 HG13 ILE 34 HG11 ILE 34 -6.965 -2.488 -2.960 248 HG21 ILE 34 HG21 ILE 34 -8.681 -4.305 0.479 249 HG22 ILE 34 HG22 ILE 34 -7.006 -4.642 0.038 250 HG23 ILE 34 HG23 ILE 34 -8.322 -5.303 -0.931 251 HD11 ILE 34 HD11 ILE 34 -4.882 -3.699 -2.680 252 HD12 ILE 34 HD12 ILE 34 -5.523 -4.488 -1.237 253 HD13 ILE 34 HD13 ILE 34 -5.253 -2.745 -1.244 254 H SER 35 HN SER 35 -11.271 -4.478 -1.061 255 HA SER 35 HA SER 35 -12.233 -2.739 1.068 256 HB2 SER 35 HB2 SER 35 -13.211 -5.505 0.328 257 HB3 SER 35 HB1 SER 35 -14.065 -4.291 1.278 258 HG SER 35 HG SER 35 -14.024 -4.642 -1.389 259 H GLY 36 HN GLY 36 -11.005 -2.775 2.858 260 HA2 GLY 36 HA2 GLY 36 -10.355 -3.756 4.894 261 HA3 GLY 36 HA1 GLY 36 -10.559 -5.348 4.172 262 H ASP 37 HN ASP 37 -8.424 -5.664 5.301 263 HA ASP 37 HA ASP 37 -6.252 -4.633 3.617 264 HB2 ASP 37 HB2 ASP 37 -4.758 -4.843 5.543 265 HB3 ASP 37 HB1 ASP 37 -6.102 -3.765 5.884 266 H LEU 38 HN LEU 38 -7.128 -6.622 2.359 267 HA LEU 38 HA LEU 38 -5.745 -9.039 3.185 268 HB2 LEU 38 HB2 LEU 38 -6.505 -9.952 0.977 269 HB3 LEU 38 HB1 LEU 38 -7.793 -9.491 2.068 270 HG LEU 38 HG LEU 38 -6.941 -7.495 0.025 271 HD11 LEU 38 HD11 LEU 38 -8.669 -9.897 -0.592 272 HD12 LEU 38 HD12 LEU 38 -7.054 -9.600 -1.237 273 HD13 LEU 38 HD13 LEU 38 -8.383 -8.518 -1.657 274 HD21 LEU 38 HD21 LEU 38 -9.335 -6.996 0.057 275 HD22 LEU 38 HD22 LEU 38 -8.661 -6.965 1.689 276 HD23 LEU 38 HD23 LEU 38 -9.609 -8.354 1.151 277 H ILE 39 HN ILE 39 -3.625 -8.777 3.138 278 HA ILE 39 HA ILE 39 -2.363 -7.823 0.675 279 HB ILE 39 HB ILE 39 -2.091 -6.622 3.410 280 HG12 ILE 39 HG12 ILE 39 -2.420 -5.520 0.618 281 HG13 ILE 39 HG11 ILE 39 -3.603 -5.504 1.920 282 HG21 ILE 39 HG21 ILE 39 0.177 -7.256 2.798 283 HG22 ILE 39 HG22 ILE 39 -0.033 -5.498 2.758 284 HG23 ILE 39 HG23 ILE 39 -0.007 -6.419 1.249 285 HD11 ILE 39 HD11 ILE 39 -2.179 -3.974 3.182 286 HD12 ILE 39 HD12 ILE 39 -2.629 -3.312 1.607 287 HD13 ILE 39 HD13 ILE 39 -1.013 -3.977 1.858 288 H PHE 40 HN PHE 40 -0.579 -8.964 0.146 289 HA PHE 40 HA PHE 40 0.645 -10.666 2.200 290 HB2 PHE 40 HB2 PHE 40 0.811 -12.518 0.597 291 HB3 PHE 40 HB1 PHE 40 -0.866 -12.079 0.884 292 HD1 PHE 40 HD1 PHE 40 -2.183 -10.999 -0.861 293 HD2 PHE 40 HD2 PHE 40 1.837 -12.205 -1.559 294 HE1 PHE 40 HE1 PHE 40 -2.541 -10.776 -3.287 295 HE2 PHE 40 HE2 PHE 40 1.488 -11.982 -3.984 296 HZ PHE 40 HZ PHE 40 -0.702 -11.266 -4.852 297 H VAL 41 HN VAL 41 2.817 -11.410 1.632 298 HA VAL 41 HA VAL 41 4.447 -9.273 0.763 299 HB VAL 41 HB VAL 41 5.195 -12.188 1.079 300 HG11 VAL 41 HG11 VAL 41 6.914 -9.710 1.123 301 HG12 VAL 41 HG12 VAL 41 6.864 -10.914 -0.164 302 HG13 VAL 41 HG13 VAL 41 7.466 -11.357 1.433 303 HG21 VAL 41 HG21 VAL 41 5.911 -11.558 3.336 304 HG22 VAL 41 HG22 VAL 41 4.180 -11.306 3.108 305 HG23 VAL 41 HG23 VAL 41 5.284 -9.930 3.077 306 H GLY 42 HN GLY 42 5.285 -8.751 -1.202 307 HA2 GLY 42 HA2 GLY 42 6.019 -9.222 -3.396 308 HA3 GLY 42 HA1 GLY 42 5.093 -10.715 -3.369 309 H GLN 43 HN GLN 43 2.902 -8.838 -2.124 310 HA GLN 43 HA GLN 43 1.456 -8.528 -4.554 311 HB2 GLN 43 HB2 GLN 43 0.250 -8.974 -2.514 312 HB3 GLN 43 HB1 GLN 43 0.890 -7.516 -1.766 313 HG2 GLN 43 HG2 GLN 43 -0.312 -6.151 -3.409 314 HG3 GLN 43 HG1 GLN 43 -0.975 -7.617 -4.131 315 HE21 GLN 43 HE21 GLN 43 -1.090 -5.425 -1.472 316 HE22 GLN 43 HE22 GLN 43 -2.544 -6.035 -0.762 317 H LYS 44 HN LYS 44 1.440 -6.922 -5.927 318 HA LYS 44 HA LYS 44 2.750 -4.411 -5.374 319 HB2 LYS 44 HB2 LYS 44 2.918 -5.354 -7.601 320 HB3 LYS 44 HB1 LYS 44 1.169 -5.431 -7.743 321 HG2 LYS 44 HG2 LYS 44 1.160 -2.921 -7.559 322 HG3 LYS 44 HG1 LYS 44 2.915 -2.987 -7.728 323 HD2 LYS 44 HD2 LYS 44 0.941 -4.127 -9.705 324 HD3 LYS 44 HD1 LYS 44 1.756 -2.573 -9.874 325 HE2 LYS 44 HE2 LYS 44 3.896 -3.638 -10.009 326 HE3 LYS 44 HE1 LYS 44 3.195 -5.205 -9.615 327 HZ1 LYS 44 HZ1 LYS 44 2.063 -5.259 -11.685 328 HZ2 LYS 44 HZ2 LYS 44 3.679 -4.857 -12.013 329 HZ3 LYS 44 HZ3 LYS 44 2.484 -3.654 -12.043 330 H LEU 45 HN LEU 45 1.694 -3.048 -4.019 331 HA LEU 45 HA LEU 45 -1.097 -2.479 -4.738 332 HB2 LEU 45 HB2 LEU 45 -1.777 -2.224 -2.509 333 HB3 LEU 45 HB1 LEU 45 -0.787 -3.662 -2.494 334 HG LEU 45 HG LEU 45 -0.347 -2.518 -0.506 335 HD11 LEU 45 HD11 LEU 45 1.988 -2.053 -0.581 336 HD12 LEU 45 HD12 LEU 45 1.928 -1.841 -2.330 337 HD13 LEU 45 HD13 LEU 45 1.615 -3.428 -1.622 338 HD21 LEU 45 HD21 LEU 45 0.182 -0.009 -2.079 339 HD22 LEU 45 HD22 LEU 45 0.337 -0.201 -0.332 340 HD23 LEU 45 HD23 LEU 45 -1.247 -0.337 -1.098 341 H ILE 46 HN ILE 46 -1.689 -0.359 -4.983 342 HA ILE 46 HA ILE 46 0.369 1.425 -5.761 343 HB ILE 46 HB ILE 46 -2.557 2.009 -5.265 344 HG12 ILE 46 HG12 ILE 46 -2.236 0.404 -7.066 345 HG13 ILE 46 HG11 ILE 46 -2.740 1.962 -7.723 346 HG21 ILE 46 HG21 ILE 46 -0.521 3.701 -6.716 347 HG22 ILE 46 HG22 ILE 46 -1.180 4.045 -5.114 348 HG23 ILE 46 HG23 ILE 46 -2.237 4.060 -6.530 349 HD11 ILE 46 HD11 ILE 46 0.069 0.878 -7.687 350 HD12 ILE 46 HD12 ILE 46 -0.430 2.439 -8.340 351 HD13 ILE 46 HD13 ILE 46 -1.007 0.948 -9.083 352 H VAL 47 HN VAL 47 1.336 3.056 -4.771 353 HA VAL 47 HA VAL 47 0.117 4.353 -2.519 354 HB VAL 47 HB VAL 47 1.394 2.471 -1.471 355 HG11 VAL 47 HG11 VAL 47 3.840 2.601 -1.383 356 HG12 VAL 47 HG12 VAL 47 3.803 3.900 -2.574 357 HG13 VAL 47 HG13 VAL 47 3.244 2.285 -3.013 358 HG21 VAL 47 HG21 VAL 47 2.581 3.905 0.180 359 HG22 VAL 47 HG22 VAL 47 0.920 4.391 -0.152 360 HG23 VAL 47 HG23 VAL 47 2.263 5.286 -0.868 361 H LYS 48 HN LYS 48 0.483 6.484 -2.829 362 HA LYS 48 HA LYS 48 3.142 7.204 -3.791 363 HB2 LYS 48 HB2 LYS 48 2.385 8.954 -5.192 364 HB3 LYS 48 HB1 LYS 48 1.503 7.502 -5.624 365 HG2 LYS 48 HG2 LYS 48 -0.486 8.299 -4.635 366 HG3 LYS 48 HG1 LYS 48 0.366 9.615 -3.815 367 HD2 LYS 48 HD2 LYS 48 0.965 10.537 -6.038 368 HD3 LYS 48 HD1 LYS 48 -0.022 9.281 -6.783 369 HE2 LYS 48 HE2 LYS 48 -2.008 10.155 -5.744 370 HE3 LYS 48 HE1 LYS 48 -1.057 11.331 -4.832 371 HZ1 LYS 48 HZ1 LYS 48 -0.346 12.280 -6.994 372 HZ2 LYS 48 HZ2 LYS 48 -2.010 12.424 -6.712 373 HZ3 LYS 48 HZ3 LYS 48 -1.435 11.241 -7.780 374 H LYS 49 HN LYS 49 4.230 8.385 -2.471 375 HA LYS 49 HA LYS 49 2.812 9.870 -0.378 376 HB2 LYS 49 HB2 LYS 49 4.678 8.116 0.061 377 HB3 LYS 49 HB1 LYS 49 5.781 9.361 -0.498 378 HG2 LYS 49 HG2 LYS 49 3.844 9.871 1.730 379 HG3 LYS 49 HG1 LYS 49 5.408 9.113 2.016 380 HD2 LYS 49 HD2 LYS 49 6.523 11.064 1.029 381 HD3 LYS 49 HD1 LYS 49 4.951 11.819 0.760 382 HE2 LYS 49 HE2 LYS 49 4.532 11.862 3.148 383 HE3 LYS 49 HE1 LYS 49 6.045 11.013 3.455 384 HZ1 LYS 49 HZ1 LYS 49 5.793 13.717 2.249 385 HZ2 LYS 49 HZ2 LYS 49 7.250 12.901 2.551 386 HZ3 LYS 49 HZ3 LYS 49 6.265 13.385 3.846 387 H GLY 50 HN GLY 50 2.398 11.896 -0.971 388 HA2 GLY 50 HA2 GLY 50 3.602 14.083 -1.263 389 HA3 GLY 50 HA1 GLY 50 4.394 13.304 -2.627 390 H SER 51 HN SER 51 3.542 13.678 -4.551 391 HA SER 51 HA SER 51 0.680 13.960 -4.899 392 HB2 SER 51 HB2 SER 51 2.579 16.195 -5.663 393 HB3 SER 51 HB1 SER 51 0.858 16.129 -6.052 394 HG SER 51 HG SER 51 0.690 15.854 -3.607 Start of MODEL 3 1 H GLY 1 HT1 GLY 1 3.359 13.702 -13.375 2 HA2 GLY 1 HA1 GLY 1 1.932 14.498 -11.610 3 HA3 GLY 1 HA2 GLY 1 0.913 13.079 -11.818 4 H THR 2 HN THR 2 1.213 11.813 -10.105 5 HA THR 2 HA THR 2 3.882 10.790 -9.630 6 HB THR 2 HB THR 2 3.790 12.676 -8.062 7 HG1 THR 2 HG1 THR 2 4.559 11.504 -6.393 8 HG21 THR 2 HG21 THR 2 1.368 11.288 -6.908 9 HG22 THR 2 HG22 THR 2 1.376 12.839 -7.749 10 HG23 THR 2 HG23 THR 2 2.194 12.674 -6.194 11 H ASN 3 HN ASN 3 3.871 8.716 -8.977 12 HA ASN 3 HA ASN 3 1.753 7.417 -7.651 13 HB2 ASN 3 HB2 ASN 3 0.989 5.924 -9.474 14 HB3 ASN 3 HB1 ASN 3 0.571 7.602 -9.781 15 HD21 ASN 3 HD21 ASN 3 2.364 4.862 -10.835 16 HD22 ASN 3 HD22 ASN 3 2.958 5.550 -12.311 17 H THR 4 HN THR 4 2.702 5.800 -6.568 18 HA THR 4 HA THR 4 4.910 4.377 -7.886 19 HB THR 4 HB THR 4 4.788 5.361 -5.019 20 HG1 THR 4 HG1 THR 4 5.746 6.440 -7.281 21 HG21 THR 4 HG21 THR 4 6.944 3.726 -6.381 22 HG22 THR 4 HG22 THR 4 5.859 3.156 -5.110 23 HG23 THR 4 HG23 THR 4 7.044 4.413 -4.756 24 H TYR 5 HN TYR 5 5.125 2.142 -7.099 25 HA TYR 5 HA TYR 5 2.927 1.296 -5.361 26 HB2 TYR 5 HB2 TYR 5 3.238 -0.988 -6.764 27 HB3 TYR 5 HB1 TYR 5 2.058 0.249 -7.190 28 HD1 TYR 5 HD1 TYR 5 5.426 -1.081 -8.018 29 HD2 TYR 5 HD2 TYR 5 2.183 1.389 -9.226 30 HE1 TYR 5 HE1 TYR 5 6.400 -0.910 -10.273 31 HE2 TYR 5 HE2 TYR 5 3.139 1.568 -11.474 32 HH TYR 5 HH TYR 5 5.393 1.367 -12.543 33 H TYR 6 HN TYR 6 3.363 -0.404 -3.998 34 HA TYR 6 HA TYR 6 6.234 -0.876 -3.542 35 HB2 TYR 6 HB2 TYR 6 5.466 0.574 -1.832 36 HB3 TYR 6 HB1 TYR 6 3.956 -0.304 -1.653 37 HD1 TYR 6 HD1 TYR 6 7.612 -0.523 -1.021 38 HD2 TYR 6 HD2 TYR 6 3.741 -2.010 -0.074 39 HE1 TYR 6 HE1 TYR 6 8.555 -1.749 0.893 40 HE2 TYR 6 HE2 TYR 6 4.668 -3.242 1.837 41 HH TYR 6 HH TYR 6 7.744 -2.657 3.073 42 H THR 7 HN THR 7 6.831 -2.949 -3.634 43 HA THR 7 HA THR 7 4.922 -5.057 -3.806 44 HB THR 7 HB THR 7 7.173 -6.415 -3.278 45 HG1 THR 7 HG1 THR 7 8.267 -4.238 -4.685 46 HG21 THR 7 HG21 THR 7 5.816 -6.614 -5.279 47 HG22 THR 7 HG22 THR 7 7.527 -6.519 -5.697 48 HG23 THR 7 HG23 THR 7 6.488 -5.110 -5.907 49 H VAL 8 HN VAL 8 3.882 -5.971 -2.239 50 HA VAL 8 HA VAL 8 4.106 -5.231 0.431 51 HB VAL 8 HB VAL 8 2.881 -7.740 -0.717 52 HG11 VAL 8 HG11 VAL 8 1.601 -7.819 1.373 53 HG12 VAL 8 HG12 VAL 8 2.526 -6.448 1.985 54 HG13 VAL 8 HG13 VAL 8 3.333 -7.982 1.661 55 HG21 VAL 8 HG21 VAL 8 1.896 -5.710 -1.640 56 HG22 VAL 8 HG22 VAL 8 1.678 -5.055 -0.020 57 HG23 VAL 8 HG23 VAL 8 0.767 -6.479 -0.524 58 H LYS 9 HN LYS 9 5.639 -5.601 1.760 59 HA LYS 9 HA LYS 9 7.223 -8.058 1.657 60 HB2 LYS 9 HB2 LYS 9 7.722 -5.413 3.029 61 HB3 LYS 9 HB1 LYS 9 8.770 -6.815 3.170 62 HG2 LYS 9 HG2 LYS 9 8.122 -5.473 0.556 63 HG3 LYS 9 HG1 LYS 9 9.529 -5.077 1.543 64 HD2 LYS 9 HD2 LYS 9 10.403 -6.591 0.027 65 HD3 LYS 9 HD1 LYS 9 10.025 -7.623 1.403 66 HE2 LYS 9 HE2 LYS 9 7.851 -8.177 0.282 67 HE3 LYS 9 HE1 LYS 9 8.423 -7.289 -1.131 68 HZ1 LYS 9 HZ1 LYS 9 10.337 -8.803 -1.225 69 HZ2 LYS 9 HZ2 LYS 9 8.866 -9.627 -1.403 70 HZ3 LYS 9 HZ3 LYS 9 9.697 -9.686 0.074 71 H SER 10 HN SER 10 8.066 -8.361 4.196 72 HA SER 10 HA SER 10 6.149 -9.711 5.564 73 HB2 SER 10 HB2 SER 10 8.399 -8.131 6.810 74 HB3 SER 10 HB1 SER 10 7.543 -9.479 7.561 75 HG SER 10 HG SER 10 9.623 -9.931 6.446 76 H GLY 11 HN GLY 11 6.390 -6.247 5.432 77 HA2 GLY 11 HA2 GLY 11 4.494 -5.695 7.498 78 HA3 GLY 11 HA1 GLY 11 4.885 -4.644 6.140 79 H ASP 12 HN ASP 12 3.326 -7.758 6.706 80 HA ASP 12 HA ASP 12 1.843 -7.747 4.307 81 HB2 ASP 12 HB2 ASP 12 0.875 -9.774 5.075 82 HB3 ASP 12 HB1 ASP 12 2.558 -9.763 5.598 83 H THR 13 HN THR 13 1.283 -5.790 6.871 84 HA THR 13 HA THR 13 -1.642 -6.083 6.652 85 HB THR 13 HB THR 13 -0.128 -5.111 9.088 86 HG1 THR 13 HG1 THR 13 -0.727 -7.639 8.192 87 HG21 THR 13 HG21 THR 13 -2.283 -5.396 10.225 88 HG22 THR 13 HG22 THR 13 -3.027 -5.854 8.695 89 HG23 THR 13 HG23 THR 13 -2.398 -4.223 8.914 90 H LEU 14 HN LEU 14 -2.846 -4.188 6.525 91 HA LEU 14 HA LEU 14 -1.764 -2.236 4.875 92 HB2 LEU 14 HB2 LEU 14 -4.224 -2.264 6.592 93 HB3 LEU 14 HB1 LEU 14 -3.818 -0.885 5.602 94 HG LEU 14 HG LEU 14 -5.529 -2.361 4.598 95 HD11 LEU 14 HD11 LEU 14 -2.950 -2.202 3.058 96 HD12 LEU 14 HD12 LEU 14 -4.160 -0.924 3.201 97 HD13 LEU 14 HD13 LEU 14 -4.561 -2.429 2.376 98 HD21 LEU 14 HD21 LEU 14 -4.736 -4.512 5.395 99 HD22 LEU 14 HD22 LEU 14 -3.281 -4.357 4.409 100 HD23 LEU 14 HD23 LEU 14 -4.860 -4.503 3.637 101 H ASN 15 HN ASN 15 -2.457 -2.092 8.347 102 HA ASN 15 HA ASN 15 -1.746 0.627 8.611 103 HB2 ASN 15 HB2 ASN 15 -1.729 0.136 11.082 104 HB3 ASN 15 HB1 ASN 15 -3.218 -0.260 10.243 105 HD21 ASN 15 HD21 ASN 15 -3.871 -1.691 11.803 106 HD22 ASN 15 HD22 ASN 15 -3.120 -3.232 12.039 107 H LYS 16 HN LYS 16 0.187 -2.297 8.743 108 HA LYS 16 HA LYS 16 2.365 -1.088 10.154 109 HB2 LYS 16 HB2 LYS 16 2.276 -3.580 8.439 110 HB3 LYS 16 HB1 LYS 16 3.664 -3.082 9.396 111 HG2 LYS 16 HG2 LYS 16 2.175 -3.201 11.422 112 HG3 LYS 16 HG1 LYS 16 0.961 -3.947 10.383 113 HD2 LYS 16 HD2 LYS 16 3.749 -5.012 10.856 114 HD3 LYS 16 HD1 LYS 16 2.283 -5.610 11.634 115 HE2 LYS 16 HE2 LYS 16 1.379 -6.237 9.451 116 HE3 LYS 16 HE1 LYS 16 2.841 -5.634 8.669 117 HZ1 LYS 16 HZ1 LYS 16 2.842 -7.797 10.700 118 HZ2 LYS 16 HZ2 LYS 16 4.129 -7.320 9.708 119 HZ3 LYS 16 HZ3 LYS 16 2.778 -8.087 9.029 120 H ILE 17 HN ILE 17 1.736 -1.816 6.732 121 HA ILE 17 HA ILE 17 4.240 -0.711 5.919 122 HB ILE 17 HB ILE 17 3.130 -0.833 3.591 123 HG12 ILE 17 HG12 ILE 17 1.274 -2.655 5.118 124 HG13 ILE 17 HG11 ILE 17 0.806 -1.106 4.418 125 HG21 ILE 17 HG21 ILE 17 4.887 -2.287 4.436 126 HG22 ILE 17 HG22 ILE 17 3.730 -3.162 3.431 127 HG23 ILE 17 HG23 ILE 17 3.660 -3.308 5.187 128 HD11 ILE 17 HD11 ILE 17 0.171 -3.043 3.040 129 HD12 ILE 17 HD12 ILE 17 1.885 -3.440 2.851 130 HD13 ILE 17 HD13 ILE 17 1.250 -1.925 2.207 131 H ALA 18 HN ALA 18 0.923 0.461 5.955 132 HA ALA 18 HA ALA 18 1.256 2.861 4.584 133 HB1 ALA 18 HB1 ALA 18 -0.477 2.363 6.995 134 HB2 ALA 18 HB2 ALA 18 -0.917 2.003 5.324 135 HB3 ALA 18 HB3 ALA 18 -0.666 3.675 5.829 136 H ALA 19 HN ALA 19 1.655 2.185 8.044 137 HA ALA 19 HA ALA 19 2.472 4.817 8.723 138 HB1 ALA 19 HB1 ALA 19 3.110 3.856 10.874 139 HB2 ALA 19 HB2 ALA 19 2.920 2.231 10.211 140 HB3 ALA 19 HB3 ALA 19 1.518 3.291 10.372 141 H GLN 20 HN GLN 20 4.100 2.055 7.423 142 HA GLN 20 HA GLN 20 6.727 2.577 8.268 143 HB2 GLN 20 HB2 GLN 20 6.111 0.477 7.181 144 HB3 GLN 20 HB1 GLN 20 5.820 1.332 5.670 145 HG2 GLN 20 HG2 GLN 20 8.216 2.037 5.704 146 HG3 GLN 20 HG1 GLN 20 8.446 0.966 7.083 147 HE21 GLN 20 HE21 GLN 20 9.652 0.905 4.430 148 HE22 GLN 20 HE22 GLN 20 9.281 -0.659 3.779 149 H TYR 21 HN TYR 21 5.048 3.692 5.316 150 HA TYR 21 HA TYR 21 7.301 5.527 4.893 151 HB2 TYR 21 HB2 TYR 21 5.993 5.829 2.590 152 HB3 TYR 21 HB1 TYR 21 7.181 4.564 2.852 153 HD1 TYR 21 HD1 TYR 21 3.492 5.087 3.305 154 HD2 TYR 21 HD2 TYR 21 6.636 2.464 2.152 155 HE1 TYR 21 HE1 TYR 21 1.835 3.394 2.645 156 HE2 TYR 21 HE2 TYR 21 4.990 0.763 1.491 157 HH TYR 21 HH TYR 21 1.700 1.436 1.131 158 H GLY 22 HN GLY 22 4.651 5.685 6.551 159 HA2 GLY 22 HA2 GLY 22 3.715 7.529 7.542 160 HA3 GLY 22 HA1 GLY 22 4.794 8.520 6.578 161 H VAL 23 HN VAL 23 2.183 6.293 5.623 162 HA VAL 23 HA VAL 23 0.679 8.641 4.690 163 HB VAL 23 HB VAL 23 1.891 7.211 2.840 164 HG11 VAL 23 HG11 VAL 23 1.106 5.044 3.520 165 HG12 VAL 23 HG12 VAL 23 0.490 5.435 1.915 166 HG13 VAL 23 HG13 VAL 23 -0.571 5.556 3.322 167 HG21 VAL 23 HG21 VAL 23 -0.977 8.062 2.576 168 HG22 VAL 23 HG22 VAL 23 0.147 7.789 1.246 169 HG23 VAL 23 HG23 VAL 23 0.440 9.093 2.394 170 H SER 24 HN SER 24 -1.700 7.863 4.185 171 HA SER 24 HA SER 24 -2.521 6.568 6.637 172 HB2 SER 24 HB2 SER 24 -3.615 8.663 6.033 173 HB3 SER 24 HB1 SER 24 -4.148 7.966 4.503 174 HG SER 24 HG SER 24 -4.963 7.277 7.134 175 H VAL 25 HN VAL 25 -3.729 4.796 6.817 176 HA VAL 25 HA VAL 25 -3.520 2.716 4.961 177 HB VAL 25 HB VAL 25 -5.621 2.971 7.123 178 HG11 VAL 25 HG11 VAL 25 -5.530 0.554 7.201 179 HG12 VAL 25 HG12 VAL 25 -4.272 0.543 5.964 180 HG13 VAL 25 HG13 VAL 25 -5.896 1.097 5.563 181 HG21 VAL 25 HG21 VAL 25 -4.008 1.901 8.631 182 HG22 VAL 25 HG22 VAL 25 -3.447 3.479 8.084 183 HG23 VAL 25 HG23 VAL 25 -2.773 2.011 7.377 184 H ALA 26 HN ALA 26 -5.906 5.211 5.470 185 HA ALA 26 HA ALA 26 -8.021 4.109 3.981 186 HB1 ALA 26 HB1 ALA 26 -8.946 6.349 3.953 187 HB2 ALA 26 HB2 ALA 26 -7.391 7.019 4.444 188 HB3 ALA 26 HB3 ALA 26 -8.290 5.976 5.547 189 H ASN 27 HN ASN 27 -5.389 6.333 2.993 190 HA ASN 27 HA ASN 27 -6.424 6.630 0.374 191 HB2 ASN 27 HB2 ASN 27 -4.200 7.574 -0.248 192 HB3 ASN 27 HB1 ASN 27 -4.950 8.360 1.130 193 HD21 ASN 27 HD21 ASN 27 -2.492 6.076 0.141 194 HD22 ASN 27 HD22 ASN 27 -1.498 6.274 1.537 195 H LEU 28 HN LEU 28 -3.858 4.455 1.659 196 HA LEU 28 HA LEU 28 -3.402 3.529 -0.996 197 HB2 LEU 28 HB2 LEU 28 -2.131 1.619 0.084 198 HB3 LEU 28 HB1 LEU 28 -1.507 3.244 0.224 199 HG LEU 28 HG LEU 28 -2.598 3.248 2.556 200 HD11 LEU 28 HD11 LEU 28 -2.466 0.269 2.049 201 HD12 LEU 28 HD12 LEU 28 -3.943 1.216 2.259 202 HD13 LEU 28 HD13 LEU 28 -2.803 1.055 3.596 203 HD21 LEU 28 HD21 LEU 28 -0.277 1.404 2.033 204 HD22 LEU 28 HD22 LEU 28 -0.580 2.365 3.483 205 HD23 LEU 28 HD23 LEU 28 -0.176 3.163 1.957 206 H ARG 29 HN ARG 29 -5.537 2.418 1.542 207 HA ARG 29 HA ARG 29 -6.325 0.029 0.259 208 HB2 ARG 29 HB2 ARG 29 -7.645 1.867 2.222 209 HB3 ARG 29 HB1 ARG 29 -8.559 0.548 1.506 210 HG2 ARG 29 HG2 ARG 29 -7.170 -1.083 2.481 211 HG3 ARG 29 HG1 ARG 29 -5.935 0.108 2.897 212 HD2 ARG 29 HD2 ARG 29 -7.251 -0.596 4.850 213 HD3 ARG 29 HD1 ARG 29 -7.410 1.128 4.515 214 HE ARG 29 HE ARG 29 -9.465 -0.915 3.950 215 HH11 ARG 29 HH11 ARG 29 -8.513 2.408 4.498 216 HH12 ARG 29 HH12 ARG 29 -10.140 2.988 4.669 217 HH21 ARG 29 HH21 ARG 29 -11.610 -0.162 4.203 218 HH22 ARG 29 HH22 ARG 29 -11.898 1.518 4.522 219 H SER 30 HN SER 30 -7.237 3.385 -0.236 220 HA SER 30 HA SER 30 -9.643 2.791 -1.637 221 HB2 SER 30 HB2 SER 30 -9.287 4.897 -0.392 222 HB3 SER 30 HB1 SER 30 -8.065 5.372 -1.571 223 HG SER 30 HG SER 30 -10.824 5.376 -1.756 224 H TRP 31 HN TRP 31 -6.379 3.815 -2.749 225 HA TRP 31 HA TRP 31 -7.336 3.764 -5.479 226 HB2 TRP 31 HB2 TRP 31 -4.943 4.324 -6.081 227 HB3 TRP 31 HB1 TRP 31 -5.800 5.511 -5.104 228 HD1 TRP 31 HD1 TRP 31 -3.955 2.379 -3.797 229 HE1 TRP 31 HE1 TRP 31 -2.097 3.160 -2.207 230 HE3 TRP 31 HE3 TRP 31 -4.437 7.437 -4.371 231 HZ2 TRP 31 HZ2 TRP 31 -0.972 5.573 -1.321 232 HZ3 TRP 31 HZ3 TRP 31 -2.911 8.906 -3.119 233 HH2 TRP 31 HH2 TRP 31 -1.224 7.991 -1.623 234 H ASN 32 HN ASN 32 -6.240 1.427 -3.387 235 HA ASN 32 HA ASN 32 -5.309 -0.264 -5.590 236 HB2 ASN 32 HB2 ASN 32 -5.195 -0.555 -2.605 237 HB3 ASN 32 HB1 ASN 32 -5.053 -1.975 -3.635 238 HD21 ASN 32 HD21 ASN 32 -3.503 0.806 -2.394 239 HD22 ASN 32 HD22 ASN 32 -1.968 0.569 -3.165 240 H GLY 33 HN GLY 33 -8.096 0.509 -3.860 241 HA2 GLY 33 HA2 GLY 33 -10.243 -0.295 -3.992 242 HA3 GLY 33 HA1 GLY 33 -9.702 -1.325 -5.311 243 H ILE 34 HN ILE 34 -8.536 -1.256 -1.978 244 HA ILE 34 HA ILE 34 -9.005 -4.134 -1.849 245 HB ILE 34 HB ILE 34 -7.459 -2.325 0.011 246 HG12 ILE 34 HG12 ILE 34 -6.526 -4.384 -2.005 247 HG13 ILE 34 HG11 ILE 34 -6.376 -2.637 -2.168 248 HG21 ILE 34 HG21 ILE 34 -6.704 -4.364 1.112 249 HG22 ILE 34 HG22 ILE 34 -7.707 -5.334 0.032 250 HG23 ILE 34 HG23 ILE 34 -8.464 -4.234 1.184 251 HD11 ILE 34 HD11 ILE 34 -4.271 -3.641 -1.493 252 HD12 ILE 34 HD12 ILE 34 -5.046 -4.333 -0.068 253 HD13 ILE 34 HD13 ILE 34 -4.899 -2.583 -0.229 254 H SER 35 HN SER 35 -10.644 -4.964 -0.784 255 HA SER 35 HA SER 35 -11.943 -3.334 1.289 256 HB2 SER 35 HB2 SER 35 -13.410 -4.116 -0.535 257 HB3 SER 35 HB1 SER 35 -12.955 -5.779 -0.178 258 HG SER 35 HG SER 35 -14.853 -5.434 0.869 259 H GLY 36 HN GLY 36 -11.055 -3.751 3.206 260 HA2 GLY 36 HA2 GLY 36 -11.105 -5.319 5.069 261 HA3 GLY 36 HA1 GLY 36 -10.658 -6.582 3.930 262 H ASP 37 HN ASP 37 -8.867 -7.174 5.157 263 HA ASP 37 HA ASP 37 -6.663 -5.211 5.175 264 HB2 ASP 37 HB2 ASP 37 -7.518 -5.903 7.430 265 HB3 ASP 37 HB1 ASP 37 -7.048 -7.556 7.054 266 H LEU 38 HN LEU 38 -7.552 -7.210 3.101 267 HA LEU 38 HA LEU 38 -5.653 -9.338 3.183 268 HB2 LEU 38 HB2 LEU 38 -6.454 -9.809 0.848 269 HB3 LEU 38 HB1 LEU 38 -7.663 -9.872 2.111 270 HG LEU 38 HG LEU 38 -7.945 -7.298 1.230 271 HD11 LEU 38 HD11 LEU 38 -7.332 -8.999 -1.185 272 HD12 LEU 38 HD12 LEU 38 -6.372 -7.637 -0.610 273 HD13 LEU 38 HD13 LEU 38 -8.009 -7.371 -1.207 274 HD21 LEU 38 HD21 LEU 38 -9.947 -8.133 0.096 275 HD22 LEU 38 HD22 LEU 38 -9.728 -8.888 1.675 276 HD23 LEU 38 HD23 LEU 38 -9.320 -9.778 0.207 277 H ILE 39 HN ILE 39 -3.608 -8.775 3.150 278 HA ILE 39 HA ILE 39 -2.597 -7.631 0.663 279 HB ILE 39 HB ILE 39 -2.257 -6.477 3.367 280 HG12 ILE 39 HG12 ILE 39 -2.196 -5.438 0.536 281 HG13 ILE 39 HG11 ILE 39 -3.470 -5.233 1.733 282 HG21 ILE 39 HG21 ILE 39 0.005 -7.328 3.014 283 HG22 ILE 39 HG22 ILE 39 -0.049 -5.559 2.967 284 HG23 ILE 39 HG23 ILE 39 0.076 -6.481 1.463 285 HD11 ILE 39 HD11 ILE 39 -0.724 -4.010 1.815 286 HD12 ILE 39 HD12 ILE 39 -1.953 -3.837 3.068 287 HD13 ILE 39 HD13 ILE 39 -2.237 -3.175 1.455 288 H PHE 40 HN PHE 40 -1.056 -8.889 -0.177 289 HA PHE 40 HA PHE 40 0.253 -10.829 1.599 290 HB2 PHE 40 HB2 PHE 40 0.022 -12.516 -0.248 291 HB3 PHE 40 HB1 PHE 40 -1.493 -12.052 0.512 292 HD1 PHE 40 HD2 PHE 40 0.541 -11.810 -2.532 293 HD2 PHE 40 HD1 PHE 40 -3.183 -10.858 -0.703 294 HE1 PHE 40 HE2 PHE 40 -0.403 -11.279 -4.741 295 HE2 PHE 40 HE1 PHE 40 -4.133 -10.325 -2.909 296 HZ PHE 40 HZ PHE 40 -2.744 -10.536 -4.932 297 H VAL 41 HN VAL 41 2.265 -11.655 0.891 298 HA VAL 41 HA VAL 41 4.015 -9.657 -0.001 299 HB VAL 41 HB VAL 41 4.518 -12.640 0.114 300 HG11 VAL 41 HG11 VAL 41 6.218 -11.447 -1.171 301 HG12 VAL 41 HG12 VAL 41 6.873 -12.044 0.354 302 HG13 VAL 41 HG13 VAL 41 6.468 -10.337 0.177 303 HG21 VAL 41 HG21 VAL 41 5.449 -12.184 2.345 304 HG22 VAL 41 HG22 VAL 41 3.728 -11.819 2.250 305 HG23 VAL 41 HG23 VAL 41 4.909 -10.510 2.211 306 H GLY 42 HN GLY 42 4.999 -9.219 -1.921 307 HA2 GLY 42 HA2 GLY 42 5.738 -9.752 -4.114 308 HA3 GLY 42 HA1 GLY 42 4.536 -11.031 -4.185 309 H GLN 43 HN GLN 43 2.556 -9.046 -3.040 310 HA GLN 43 HA GLN 43 1.508 -8.148 -5.537 311 HB2 GLN 43 HB2 GLN 43 -0.077 -8.773 -3.885 312 HB3 GLN 43 HB1 GLN 43 0.685 -7.767 -2.662 313 HG2 GLN 43 HG2 GLN 43 -0.039 -5.762 -3.885 314 HG3 GLN 43 HG1 GLN 43 -0.850 -6.796 -5.066 315 HE21 GLN 43 HE21 GLN 43 -0.874 -5.566 -1.822 316 HE22 GLN 43 HE22 GLN 43 -2.490 -6.042 -1.435 317 H LYS 44 HN LYS 44 1.954 -6.296 -6.570 318 HA LYS 44 HA LYS 44 3.293 -4.136 -5.163 319 HB2 LYS 44 HB2 LYS 44 2.389 -4.452 -8.027 320 HB3 LYS 44 HB1 LYS 44 3.086 -2.963 -7.404 321 HG2 LYS 44 HG2 LYS 44 5.140 -4.130 -6.860 322 HG3 LYS 44 HG1 LYS 44 4.448 -5.647 -7.449 323 HD2 LYS 44 HD2 LYS 44 4.151 -4.537 -9.674 324 HD3 LYS 44 HD1 LYS 44 5.055 -3.160 -9.041 325 HE2 LYS 44 HE2 LYS 44 6.963 -4.641 -8.596 326 HE3 LYS 44 HE1 LYS 44 6.057 -5.994 -9.276 327 HZ1 LYS 44 HZ1 LYS 44 5.878 -4.454 -11.328 328 HZ2 LYS 44 HZ2 LYS 44 7.317 -5.307 -11.049 329 HZ3 LYS 44 HZ3 LYS 44 7.220 -3.665 -10.644 330 H LEU 45 HN LEU 45 2.039 -3.012 -3.842 331 HA LEU 45 HA LEU 45 -0.663 -2.354 -4.755 332 HB2 LEU 45 HB2 LEU 45 -1.176 -1.814 -2.439 333 HB3 LEU 45 HB1 LEU 45 -0.533 -3.438 -2.571 334 HG LEU 45 HG LEU 45 1.720 -2.348 -1.875 335 HD11 LEU 45 HD11 LEU 45 1.441 -0.430 -0.368 336 HD12 LEU 45 HD12 LEU 45 -0.260 -0.317 -0.825 337 HD13 LEU 45 HD13 LEU 45 0.997 -0.013 -2.024 338 HD21 LEU 45 HD21 LEU 45 1.147 -2.741 0.448 339 HD22 LEU 45 HD22 LEU 45 0.432 -3.970 -0.599 340 HD23 LEU 45 HD23 LEU 45 -0.570 -2.669 0.047 341 H ILE 46 HN ILE 46 -1.334 -0.261 -4.998 342 HA ILE 46 HA ILE 46 0.635 1.613 -5.738 343 HB ILE 46 HB ILE 46 -2.276 2.147 -5.131 344 HG12 ILE 46 HG12 ILE 46 -2.037 0.451 -6.868 345 HG13 ILE 46 HG11 ILE 46 -2.605 1.964 -7.568 346 HG21 ILE 46 HG21 ILE 46 -0.923 4.186 -5.149 347 HG22 ILE 46 HG22 ILE 46 -2.015 4.125 -6.535 348 HG23 ILE 46 HG23 ILE 46 -0.302 3.761 -6.745 349 HD11 ILE 46 HD11 ILE 46 -0.940 0.894 -8.978 350 HD12 ILE 46 HD12 ILE 46 0.224 0.934 -7.651 351 HD13 ILE 46 HD13 ILE 46 -0.354 2.440 -8.364 352 H VAL 47 HN VAL 47 1.637 3.140 -4.684 353 HA VAL 47 HA VAL 47 0.468 4.360 -2.341 354 HB VAL 47 HB VAL 47 1.821 2.628 -1.298 355 HG11 VAL 47 HG11 VAL 47 3.393 2.192 -3.104 356 HG12 VAL 47 HG12 VAL 47 4.241 2.509 -1.591 357 HG13 VAL 47 HG13 VAL 47 4.157 3.759 -2.832 358 HG21 VAL 47 HG21 VAL 47 1.707 4.699 -0.121 359 HG22 VAL 47 HG22 VAL 47 3.005 5.388 -1.101 360 HG23 VAL 47 HG23 VAL 47 3.351 4.077 0.026 361 H LYS 48 HN LYS 48 0.567 6.449 -2.747 362 HA LYS 48 HA LYS 48 2.993 7.596 -3.847 363 HB2 LYS 48 HB2 LYS 48 1.689 8.928 -5.511 364 HB3 LYS 48 HB1 LYS 48 1.781 7.203 -5.855 365 HG2 LYS 48 HG2 LYS 48 -0.461 6.868 -5.108 366 HG3 LYS 48 HG1 LYS 48 -0.561 8.519 -4.491 367 HD2 LYS 48 HD2 LYS 48 -0.328 9.370 -6.782 368 HD3 LYS 48 HD1 LYS 48 -0.261 7.712 -7.382 369 HE2 LYS 48 HE2 LYS 48 -2.498 7.288 -6.613 370 HE3 LYS 48 HE1 LYS 48 -2.569 8.864 -5.827 371 HZ1 LYS 48 HZ1 LYS 48 -2.240 8.486 -8.755 372 HZ2 LYS 48 HZ2 LYS 48 -2.530 9.943 -7.934 373 HZ3 LYS 48 HZ3 LYS 48 -3.731 8.750 -7.992 374 H LYS 49 HN LYS 49 3.513 9.459 -2.952 375 HA LYS 49 HA LYS 49 1.398 11.014 -1.629 376 HB2 LYS 49 HB2 LYS 49 2.966 9.708 -0.071 377 HB3 LYS 49 HB1 LYS 49 4.229 10.807 -0.599 378 HG2 LYS 49 HG2 LYS 49 1.675 11.868 0.536 379 HG3 LYS 49 HG1 LYS 49 2.958 11.284 1.594 380 HD2 LYS 49 HD2 LYS 49 3.334 13.397 -0.524 381 HD3 LYS 49 HD1 LYS 49 3.016 13.740 1.177 382 HE2 LYS 49 HE2 LYS 49 5.054 12.487 1.772 383 HE3 LYS 49 HE1 LYS 49 5.376 12.235 0.060 384 HZ1 LYS 49 HZ1 LYS 49 6.645 14.087 0.957 385 HZ2 LYS 49 HZ2 LYS 49 5.218 14.878 1.410 386 HZ3 LYS 49 HZ3 LYS 49 5.561 14.619 -0.234 387 H GLY 50 HN GLY 50 1.179 12.878 -2.688 388 HA2 GLY 50 HA2 GLY 50 3.529 13.919 -4.142 389 HA3 GLY 50 HA1 GLY 50 1.858 14.179 -4.616 390 H SER 51 HN SER 51 1.528 14.547 -1.500 391 HA SER 51 HA SER 51 1.808 17.433 -1.666 392 HB2 SER 51 HB2 SER 51 0.610 15.765 0.558 393 HB3 SER 51 HB1 SER 51 0.395 17.496 0.293 394 HG SER 51 HG SER 51 -0.576 15.337 -1.268 Start of MODEL 4 1 H GLY 1 HT1 GLY 1 3.224 13.022 -13.534 2 HA2 GLY 1 HA1 GLY 1 1.867 11.188 -12.844 3 HA3 GLY 1 HA2 GLY 1 3.459 10.600 -13.315 4 H THR 2 HN THR 2 1.543 11.625 -10.521 5 HA THR 2 HA THR 2 3.434 10.455 -8.681 6 HB THR 2 HB THR 2 1.112 11.102 -7.265 7 HG1 THR 2 HG1 THR 2 0.202 12.747 -8.260 8 HG21 THR 2 HG21 THR 2 2.430 13.017 -6.480 9 HG22 THR 2 HG22 THR 2 3.567 12.774 -7.806 10 HG23 THR 2 HG23 THR 2 3.403 11.548 -6.550 11 H ASN 3 HN ASN 3 3.304 8.279 -9.425 12 HA ASN 3 HA ASN 3 1.312 6.823 -7.883 13 HB2 ASN 3 HB2 ASN 3 1.767 6.396 -10.839 14 HB3 ASN 3 HB1 ASN 3 1.147 5.120 -9.797 15 HD21 ASN 3 HD21 ASN 3 -0.918 5.288 -8.957 16 HD22 ASN 3 HD22 ASN 3 -2.087 6.400 -9.588 17 H THR 4 HN THR 4 2.742 5.959 -6.457 18 HA THR 4 HA THR 4 4.979 4.434 -7.606 19 HB THR 4 HB THR 4 4.466 5.365 -4.762 20 HG1 THR 4 HG1 THR 4 5.155 6.954 -6.427 21 HG21 THR 4 HG21 THR 4 5.716 3.263 -4.769 22 HG22 THR 4 HG22 THR 4 6.758 4.600 -4.285 23 HG23 THR 4 HG23 THR 4 6.876 3.940 -5.916 24 H TYR 5 HN TYR 5 5.174 2.184 -6.885 25 HA TYR 5 HA TYR 5 2.858 1.269 -5.347 26 HB2 TYR 5 HB2 TYR 5 3.094 -0.959 -6.687 27 HB3 TYR 5 HB1 TYR 5 2.222 0.389 -7.410 28 HD1 TYR 5 HD1 TYR 5 5.562 -1.265 -7.364 29 HD2 TYR 5 HD2 TYR 5 2.793 1.126 -9.531 30 HE1 TYR 5 HE1 TYR 5 6.967 -1.471 -9.372 31 HE2 TYR 5 HE2 TYR 5 4.187 0.934 -11.543 32 HH TYR 5 HH TYR 5 6.448 0.452 -12.186 33 H TYR 6 HN TYR 6 3.206 -0.390 -3.952 34 HA TYR 6 HA TYR 6 6.033 -0.960 -3.376 35 HB2 TYR 6 HB2 TYR 6 5.184 0.487 -1.678 36 HB3 TYR 6 HB1 TYR 6 3.692 -0.432 -1.546 37 HD1 TYR 6 HD1 TYR 6 7.346 -0.602 -0.881 38 HD2 TYR 6 HD2 TYR 6 3.494 -2.181 -0.002 39 HE1 TYR 6 HE1 TYR 6 8.299 -1.880 0.990 40 HE2 TYR 6 HE2 TYR 6 4.441 -3.465 1.866 41 HH TYR 6 HH TYR 6 7.623 -2.937 3.036 42 H THR 7 HN THR 7 6.448 -3.016 -3.912 43 HA THR 7 HA THR 7 4.560 -5.111 -3.790 44 HB THR 7 HB THR 7 6.853 -6.465 -3.472 45 HG1 THR 7 HG1 THR 7 7.973 -4.345 -3.307 46 HG21 THR 7 HG21 THR 7 5.317 -6.705 -5.319 47 HG22 THR 7 HG22 THR 7 6.974 -6.578 -5.918 48 HG23 THR 7 HG23 THR 7 5.889 -5.191 -6.024 49 H VAL 8 HN VAL 8 3.656 -5.924 -2.103 50 HA VAL 8 HA VAL 8 4.177 -5.103 0.505 51 HB VAL 8 HB VAL 8 2.785 -7.634 -0.375 52 HG11 VAL 8 HG11 VAL 8 1.676 -7.497 1.815 53 HG12 VAL 8 HG12 VAL 8 2.705 -6.127 2.235 54 HG13 VAL 8 HG13 VAL 8 3.419 -7.717 1.965 55 HG21 VAL 8 HG21 VAL 8 0.726 -6.294 -0.091 56 HG22 VAL 8 HG22 VAL 8 1.761 -5.676 -1.378 57 HG23 VAL 8 HG23 VAL 8 1.719 -4.862 0.184 58 H LYS 9 HN LYS 9 5.805 -5.521 1.734 59 HA LYS 9 HA LYS 9 7.364 -7.979 1.431 60 HB2 LYS 9 HB2 LYS 9 8.005 -5.423 2.924 61 HB3 LYS 9 HB1 LYS 9 9.067 -6.816 2.794 62 HG2 LYS 9 HG2 LYS 9 8.094 -5.306 0.387 63 HG3 LYS 9 HG1 LYS 9 9.549 -4.850 1.267 64 HD2 LYS 9 HD2 LYS 9 10.289 -6.177 -0.530 65 HD3 LYS 9 HD1 LYS 9 10.353 -7.229 0.882 66 HE2 LYS 9 HE2 LYS 9 8.271 -8.283 0.228 67 HE3 LYS 9 HE1 LYS 9 8.107 -7.171 -1.131 68 HZ1 LYS 9 HZ1 LYS 9 9.002 -9.400 -1.727 69 HZ2 LYS 9 HZ2 LYS 9 10.387 -9.050 -0.807 70 HZ3 LYS 9 HZ3 LYS 9 10.010 -8.112 -2.170 71 H SER 10 HN SER 10 8.404 -8.403 3.837 72 HA SER 10 HA SER 10 6.656 -9.739 5.393 73 HB2 SER 10 HB2 SER 10 9.116 -9.702 5.671 74 HB3 SER 10 HB1 SER 10 8.981 -8.133 6.465 75 HG SER 10 HG SER 10 7.419 -9.395 7.898 76 H GLY 11 HN GLY 11 6.818 -6.277 5.238 77 HA2 GLY 11 HA2 GLY 11 5.131 -5.793 7.510 78 HA3 GLY 11 HA1 GLY 11 5.428 -4.683 6.176 79 H ASP 12 HN ASP 12 3.837 -7.802 6.739 80 HA ASP 12 HA ASP 12 2.191 -7.671 4.462 81 HB2 ASP 12 HB2 ASP 12 1.067 -9.619 5.371 82 HB3 ASP 12 HB1 ASP 12 2.818 -9.776 5.528 83 H THR 13 HN THR 13 1.840 -5.690 7.076 84 HA THR 13 HA THR 13 -1.089 -6.003 7.048 85 HB THR 13 HB THR 13 0.410 -4.871 9.404 86 HG1 THR 13 HG1 THR 13 0.179 -7.534 8.564 87 HG21 THR 13 HG21 THR 13 -1.591 -5.589 10.616 88 HG22 THR 13 HG22 THR 13 -2.263 -6.254 9.127 89 HG23 THR 13 HG23 THR 13 -2.017 -4.514 9.284 90 H LEU 14 HN LEU 14 -2.352 -4.171 7.064 91 HA LEU 14 HA LEU 14 -1.549 -2.199 5.296 92 HB2 LEU 14 HB2 LEU 14 -3.810 -2.390 7.246 93 HB3 LEU 14 HB1 LEU 14 -3.594 -0.957 6.272 94 HG LEU 14 HG LEU 14 -5.292 -2.501 5.379 95 HD11 LEU 14 HD11 LEU 14 -4.136 -0.958 3.911 96 HD12 LEU 14 HD12 LEU 14 -4.511 -2.465 3.076 97 HD13 LEU 14 HD13 LEU 14 -2.866 -2.152 3.635 98 HD21 LEU 14 HD21 LEU 14 -2.967 -4.367 4.931 99 HD22 LEU 14 HD22 LEU 14 -4.608 -4.592 4.325 100 HD23 LEU 14 HD23 LEU 14 -4.297 -4.618 6.060 101 H ASN 15 HN ASN 15 -1.958 -1.953 8.812 102 HA ASN 15 HA ASN 15 -1.360 0.817 8.893 103 HB2 ASN 15 HB2 ASN 15 -1.348 0.562 11.325 104 HB3 ASN 15 HB1 ASN 15 -2.731 -0.261 10.621 105 HD21 ASN 15 HD21 ASN 15 -1.309 -0.614 13.176 106 HD22 ASN 15 HD22 ASN 15 -0.892 -2.293 13.234 107 H LYS 16 HN LYS 16 0.537 -2.068 9.032 108 HA LYS 16 HA LYS 16 2.797 -0.906 10.323 109 HB2 LYS 16 HB2 LYS 16 2.342 -3.286 10.459 110 HB3 LYS 16 HB1 LYS 16 2.481 -3.442 8.716 111 HG2 LYS 16 HG2 LYS 16 4.793 -3.186 8.758 112 HG3 LYS 16 HG1 LYS 16 4.778 -2.471 10.373 113 HD2 LYS 16 HD2 LYS 16 5.596 -4.819 10.329 114 HD3 LYS 16 HD1 LYS 16 4.192 -4.577 11.367 115 HE2 LYS 16 HE2 LYS 16 2.750 -5.406 9.530 116 HE3 LYS 16 HE1 LYS 16 4.200 -5.745 8.586 117 HZ1 LYS 16 HZ1 LYS 16 4.922 -7.253 10.363 118 HZ2 LYS 16 HZ2 LYS 16 3.448 -7.737 9.682 119 HZ3 LYS 16 HZ3 LYS 16 3.471 -6.973 11.193 120 H ILE 17 HN ILE 17 2.044 -1.726 6.933 121 HA ILE 17 HA ILE 17 4.512 -0.624 5.999 122 HB ILE 17 HB ILE 17 3.325 -0.756 3.720 123 HG12 ILE 17 HG12 ILE 17 1.475 -2.532 5.319 124 HG13 ILE 17 HG11 ILE 17 1.019 -0.981 4.613 125 HG21 ILE 17 HG21 ILE 17 5.077 -2.236 4.476 126 HG22 ILE 17 HG22 ILE 17 3.845 -3.126 3.581 127 HG23 ILE 17 HG23 ILE 17 3.889 -3.211 5.342 128 HD11 ILE 17 HD11 ILE 17 0.279 -2.869 3.254 129 HD12 ILE 17 HD12 ILE 17 1.959 -3.401 3.076 130 HD13 ILE 17 HD13 ILE 17 1.440 -1.860 2.390 131 H ALA 18 HN ALA 18 1.195 0.535 6.158 132 HA ALA 18 HA ALA 18 1.461 2.899 4.719 133 HB1 ALA 18 HB1 ALA 18 -0.189 2.467 7.199 134 HB2 ALA 18 HB2 ALA 18 -0.670 2.001 5.569 135 HB3 ALA 18 HB3 ALA 18 -0.450 3.705 5.970 136 H ALA 19 HN ALA 19 1.970 2.327 8.188 137 HA ALA 19 HA ALA 19 2.809 4.998 8.714 138 HB1 ALA 19 HB1 ALA 19 1.801 3.581 10.438 139 HB2 ALA 19 HB2 ALA 19 3.388 4.178 10.930 140 HB3 ALA 19 HB3 ALA 19 3.204 2.513 10.377 141 H GLN 20 HN GLN 20 4.361 2.153 7.546 142 HA GLN 20 HA GLN 20 7.014 2.735 8.319 143 HB2 GLN 20 HB2 GLN 20 6.456 0.528 7.541 144 HB3 GLN 20 HB1 GLN 20 5.943 1.153 5.982 145 HG2 GLN 20 HG2 GLN 20 8.241 1.834 5.502 146 HG3 GLN 20 HG1 GLN 20 8.753 1.182 7.056 147 HE21 GLN 20 HE21 GLN 20 9.526 0.493 4.306 148 HE22 GLN 20 HE22 GLN 20 9.221 -1.211 4.147 149 H TYR 21 HN TYR 21 5.259 3.547 5.288 150 HA TYR 21 HA TYR 21 7.524 5.311 4.673 151 HB2 TYR 21 HB2 TYR 21 6.325 5.296 2.306 152 HB3 TYR 21 HB1 TYR 21 7.486 4.070 2.786 153 HD1 TYR 21 HD2 TYR 21 3.807 4.724 2.773 154 HD2 TYR 21 HD1 TYR 21 6.930 1.848 2.560 155 HE1 TYR 21 HE2 TYR 21 2.157 2.974 2.264 156 HE2 TYR 21 HE1 TYR 21 5.290 0.091 2.047 157 HH TYR 21 HH TYR 21 2.067 0.781 1.193 158 H GLY 22 HN GLY 22 4.740 5.681 6.163 159 HA2 GLY 22 HA2 GLY 22 3.954 7.725 6.913 160 HA3 GLY 22 HA1 GLY 22 4.967 8.515 5.720 161 H VAL 23 HN VAL 23 2.328 6.167 5.326 162 HA VAL 23 HA VAL 23 0.670 8.315 4.202 163 HB VAL 23 HB VAL 23 1.635 7.016 2.310 164 HG11 VAL 23 HG11 VAL 23 1.920 4.868 3.355 165 HG12 VAL 23 HG12 VAL 23 0.872 4.701 1.945 166 HG13 VAL 23 HG13 VAL 23 0.176 4.705 3.566 167 HG21 VAL 23 HG21 VAL 23 -1.327 6.676 2.698 168 HG22 VAL 23 HG22 VAL 23 -0.473 6.508 1.164 169 HG23 VAL 23 HG23 VAL 23 -0.505 8.067 1.990 170 H SER 24 HN SER 24 -1.675 7.740 4.302 171 HA SER 24 HA SER 24 -2.164 6.194 6.706 172 HB2 SER 24 HB2 SER 24 -4.003 7.959 5.079 173 HB3 SER 24 HB1 SER 24 -4.449 7.148 6.581 174 HG SER 24 HG SER 24 -2.830 8.330 7.643 175 H VAL 25 HN VAL 25 -3.630 4.535 6.861 176 HA VAL 25 HA VAL 25 -3.588 2.600 4.844 177 HB VAL 25 HB VAL 25 -5.643 2.757 7.042 178 HG11 VAL 25 HG11 VAL 25 -4.342 0.412 5.671 179 HG12 VAL 25 HG12 VAL 25 -5.979 1.000 5.387 180 HG13 VAL 25 HG13 VAL 25 -5.546 0.328 6.958 181 HG21 VAL 25 HG21 VAL 25 -3.502 3.160 8.070 182 HG22 VAL 25 HG22 VAL 25 -2.789 1.797 7.206 183 HG23 VAL 25 HG23 VAL 25 -4.019 1.514 8.439 184 H ALA 26 HN ALA 26 -5.947 5.076 5.635 185 HA ALA 26 HA ALA 26 -8.131 4.104 4.202 186 HB1 ALA 26 HB1 ALA 26 -7.394 6.988 4.670 187 HB2 ALA 26 HB2 ALA 26 -8.248 5.951 5.814 188 HB3 ALA 26 HB3 ALA 26 -8.995 6.364 4.271 189 H ASN 27 HN ASN 27 -5.533 6.320 3.102 190 HA ASN 27 HA ASN 27 -6.759 6.507 0.528 191 HB2 ASN 27 HB2 ASN 27 -4.393 7.577 -0.051 192 HB3 ASN 27 HB1 ASN 27 -5.688 8.471 0.720 193 HD21 ASN 27 HD21 ASN 27 -2.934 9.059 0.728 194 HD22 ASN 27 HD22 ASN 27 -2.408 9.043 2.376 195 H LEU 28 HN LEU 28 -4.073 4.544 1.786 196 HA LEU 28 HA LEU 28 -3.516 3.711 -0.880 197 HB2 LEU 28 HB2 LEU 28 -2.204 1.824 0.099 198 HB3 LEU 28 HB1 LEU 28 -1.658 3.444 0.444 199 HG LEU 28 HG LEU 28 -2.763 3.178 2.723 200 HD11 LEU 28 HD11 LEU 28 -3.077 0.896 3.506 201 HD12 LEU 28 HD12 LEU 28 -2.710 0.272 1.897 202 HD13 LEU 28 HD13 LEU 28 -4.167 1.235 2.162 203 HD21 LEU 28 HD21 LEU 28 -0.516 1.275 2.092 204 HD22 LEU 28 HD22 LEU 28 -0.783 2.181 3.585 205 HD23 LEU 28 HD23 LEU 28 -0.314 3.027 2.102 206 H ARG 29 HN ARG 29 -5.707 2.533 1.566 207 HA ARG 29 HA ARG 29 -6.533 0.188 0.274 208 HB2 ARG 29 HB2 ARG 29 -7.953 2.183 2.013 209 HB3 ARG 29 HB1 ARG 29 -8.823 0.831 1.305 210 HG2 ARG 29 HG2 ARG 29 -7.657 -0.739 2.563 211 HG3 ARG 29 HG1 ARG 29 -6.346 0.390 2.927 212 HD2 ARG 29 HD2 ARG 29 -7.659 1.607 4.436 213 HD3 ARG 29 HD1 ARG 29 -9.159 0.884 3.851 214 HE ARG 29 HE ARG 29 -7.582 -1.166 4.898 215 HH11 ARG 29 HH11 ARG 29 -9.267 1.704 5.996 216 HH12 ARG 29 HH12 ARG 29 -9.493 1.107 7.614 217 HH21 ARG 29 HH21 ARG 29 -7.925 -1.983 7.018 218 HH22 ARG 29 HH22 ARG 29 -8.750 -0.984 8.186 219 H SER 30 HN SER 30 -7.484 3.566 -0.239 220 HA SER 30 HA SER 30 -9.690 2.949 -1.899 221 HB2 SER 30 HB2 SER 30 -8.207 5.545 -1.485 222 HB3 SER 30 HB1 SER 30 -9.748 5.386 -2.334 223 HG SER 30 HG SER 30 -10.189 4.158 -0.133 224 H TRP 31 HN TRP 31 -6.353 4.017 -2.765 225 HA TRP 31 HA TRP 31 -7.129 4.023 -5.553 226 HB2 TRP 31 HB2 TRP 31 -4.654 4.452 -5.983 227 HB3 TRP 31 HB1 TRP 31 -5.539 5.695 -5.103 228 HD1 TRP 31 HD1 TRP 31 -3.762 2.510 -3.782 229 HE1 TRP 31 HE1 TRP 31 -2.107 3.235 -1.962 230 HE3 TRP 31 HE3 TRP 31 -4.410 7.578 -4.017 231 HZ2 TRP 31 HZ2 TRP 31 -1.186 5.595 -0.780 232 HZ3 TRP 31 HZ3 TRP 31 -3.081 8.992 -2.500 233 HH2 TRP 31 HH2 TRP 31 -1.511 8.020 -0.916 234 H ASN 32 HN ASN 32 -6.335 1.613 -3.436 235 HA ASN 32 HA ASN 32 -5.258 -0.079 -5.571 236 HB2 ASN 32 HB2 ASN 32 -5.339 -0.359 -2.592 237 HB3 ASN 32 HB1 ASN 32 -5.239 -1.806 -3.585 238 HD21 ASN 32 HD21 ASN 32 -3.606 0.939 -2.375 239 HD22 ASN 32 HD22 ASN 32 -2.045 0.576 -3.034 240 H GLY 33 HN GLY 33 -8.159 0.762 -4.111 241 HA2 GLY 33 HA2 GLY 33 -10.301 -0.011 -4.361 242 HA3 GLY 33 HA1 GLY 33 -9.703 -0.948 -5.722 243 H ILE 34 HN ILE 34 -8.631 -1.229 -2.378 244 HA ILE 34 HA ILE 34 -9.072 -4.082 -2.519 245 HB ILE 34 HB ILE 34 -8.028 -2.447 -0.203 246 HG12 ILE 34 HG12 ILE 34 -6.502 -4.027 -2.284 247 HG13 ILE 34 HG11 ILE 34 -6.598 -2.270 -2.218 248 HG21 ILE 34 HG21 ILE 34 -7.925 -5.411 -0.745 249 HG22 ILE 34 HG22 ILE 34 -8.926 -4.611 0.465 250 HG23 ILE 34 HG23 ILE 34 -7.168 -4.587 0.618 251 HD11 ILE 34 HD11 ILE 34 -5.501 -2.306 -0.030 252 HD12 ILE 34 HD12 ILE 34 -4.506 -3.047 -1.284 253 HD13 ILE 34 HD13 ILE 34 -5.376 -4.062 -0.131 254 H SER 35 HN SER 35 -10.852 -5.056 -1.871 255 HA SER 35 HA SER 35 -12.602 -3.749 0.071 256 HB2 SER 35 HB2 SER 35 -13.510 -4.806 -2.054 257 HB3 SER 35 HB1 SER 35 -13.048 -6.369 -1.381 258 HG SER 35 HG SER 35 -14.840 -4.497 -0.186 259 H GLY 36 HN GLY 36 -11.997 -4.085 2.117 260 HA2 GLY 36 HA2 GLY 36 -11.761 -5.513 4.018 261 HA3 GLY 36 HA1 GLY 36 -11.240 -6.810 2.946 262 H ASP 37 HN ASP 37 -9.488 -6.884 4.671 263 HA ASP 37 HA ASP 37 -7.367 -4.969 3.961 264 HB2 ASP 37 HB2 ASP 37 -7.929 -6.372 6.568 265 HB3 ASP 37 HB1 ASP 37 -6.352 -5.678 6.211 266 H LEU 38 HN LEU 38 -7.401 -6.730 2.153 267 HA LEU 38 HA LEU 38 -5.810 -9.035 2.941 268 HB2 LEU 38 HB2 LEU 38 -6.173 -9.789 0.585 269 HB3 LEU 38 HB1 LEU 38 -7.622 -9.636 1.551 270 HG LEU 38 HG LEU 38 -7.537 -7.198 0.313 271 HD11 LEU 38 HD11 LEU 38 -6.567 -9.244 -1.677 272 HD12 LEU 38 HD12 LEU 38 -5.636 -7.872 -1.074 273 HD13 LEU 38 HD13 LEU 38 -7.084 -7.599 -2.043 274 HD21 LEU 38 HD21 LEU 38 -9.306 -8.100 -1.126 275 HD22 LEU 38 HD22 LEU 38 -9.490 -8.616 0.550 276 HD23 LEU 38 HD23 LEU 38 -8.847 -9.735 -0.652 277 H ILE 39 HN ILE 39 -3.750 -8.667 3.126 278 HA ILE 39 HA ILE 39 -2.333 -7.511 0.854 279 HB ILE 39 HB ILE 39 -2.274 -6.442 3.640 280 HG12 ILE 39 HG12 ILE 39 -2.231 -5.316 0.850 281 HG13 ILE 39 HG11 ILE 39 -3.473 -5.133 2.084 282 HG21 ILE 39 HG21 ILE 39 0.111 -6.325 1.802 283 HG22 ILE 39 HG22 ILE 39 0.026 -7.176 3.349 284 HG23 ILE 39 HG23 ILE 39 -0.083 -5.409 3.302 285 HD11 ILE 39 HD11 ILE 39 -1.886 -3.778 3.410 286 HD12 ILE 39 HD12 ILE 39 -2.279 -3.069 1.839 287 HD13 ILE 39 HD13 ILE 39 -0.735 -3.891 2.077 288 H PHE 40 HN PHE 40 -0.825 -8.823 0.221 289 HA PHE 40 HA PHE 40 0.459 -10.628 2.134 290 HB2 PHE 40 HB2 PHE 40 0.249 -12.438 0.333 291 HB3 PHE 40 HB1 PHE 40 -1.210 -12.038 1.229 292 HD1 PHE 40 HD2 PHE 40 0.503 -11.740 -2.006 293 HD2 PHE 40 HD1 PHE 40 -3.092 -11.022 0.155 294 HE1 PHE 40 HE2 PHE 40 -0.681 -11.308 -4.119 295 HE2 PHE 40 HE1 PHE 40 -4.280 -10.588 -1.955 296 HZ PHE 40 HZ PHE 40 -3.072 -10.731 -4.097 297 H VAL 41 HN VAL 41 2.458 -11.549 1.338 298 HA VAL 41 HA VAL 41 4.113 -9.492 0.354 299 HB VAL 41 HB VAL 41 4.777 -12.430 0.601 300 HG11 VAL 41 HG11 VAL 41 7.083 -11.625 0.900 301 HG12 VAL 41 HG12 VAL 41 6.536 -9.982 0.562 302 HG13 VAL 41 HG13 VAL 41 6.428 -11.223 -0.688 303 HG21 VAL 41 HG21 VAL 41 5.611 -11.874 2.837 304 HG22 VAL 41 HG22 VAL 41 3.879 -11.571 2.696 305 HG23 VAL 41 HG23 VAL 41 5.017 -10.224 2.646 306 H GLY 42 HN GLY 42 4.836 -9.002 -1.636 307 HA2 GLY 42 HA2 GLY 42 5.584 -9.644 -3.823 308 HA3 GLY 42 HA1 GLY 42 4.459 -10.990 -3.775 309 H GLN 43 HN GLN 43 2.418 -9.060 -2.633 310 HA GLN 43 HA GLN 43 1.196 -8.354 -5.108 311 HB2 GLN 43 HB2 GLN 43 -0.264 -8.912 -3.324 312 HB3 GLN 43 HB1 GLN 43 0.528 -7.800 -2.220 313 HG2 GLN 43 HG2 GLN 43 -0.369 -5.904 -3.426 314 HG3 GLN 43 HG1 GLN 43 -1.093 -6.979 -4.621 315 HE21 GLN 43 HE21 GLN 43 -1.273 -5.762 -1.374 316 HE22 GLN 43 HE22 GLN 43 -2.866 -6.340 -1.027 317 H LYS 44 HN LYS 44 1.512 -6.568 -6.297 318 HA LYS 44 HA LYS 44 2.914 -4.296 -5.190 319 HB2 LYS 44 HB2 LYS 44 1.667 -4.820 -7.887 320 HB3 LYS 44 HB1 LYS 44 2.349 -3.260 -7.451 321 HG2 LYS 44 HG2 LYS 44 4.515 -4.316 -7.070 322 HG3 LYS 44 HG1 LYS 44 3.834 -5.874 -7.552 323 HD2 LYS 44 HD2 LYS 44 4.076 -3.399 -9.258 324 HD3 LYS 44 HD1 LYS 44 5.026 -4.877 -9.413 325 HE2 LYS 44 HE2 LYS 44 2.057 -4.580 -9.866 326 HE3 LYS 44 HE1 LYS 44 3.289 -4.826 -11.102 327 HZ1 LYS 44 HZ1 LYS 44 3.785 -6.993 -10.049 328 HZ2 LYS 44 HZ2 LYS 44 2.204 -6.892 -10.653 329 HZ3 LYS 44 HZ3 LYS 44 2.481 -6.753 -8.990 330 H LEU 45 HN LEU 45 1.805 -3.115 -3.766 331 HA LEU 45 HA LEU 45 -0.922 -2.362 -4.528 332 HB2 LEU 45 HB2 LEU 45 -1.345 -1.812 -2.228 333 HB3 LEU 45 HB1 LEU 45 -0.673 -3.425 -2.310 334 HG LEU 45 HG LEU 45 1.578 -2.248 -1.726 335 HD11 LEU 45 HD11 LEU 45 0.812 0.052 -1.935 336 HD12 LEU 45 HD12 LEU 45 1.257 -0.291 -0.262 337 HD13 LEU 45 HD13 LEU 45 -0.445 -0.239 -0.731 338 HD21 LEU 45 HD21 LEU 45 -0.646 -2.570 0.271 339 HD22 LEU 45 HD22 LEU 45 1.082 -2.561 0.629 340 HD23 LEU 45 HD23 LEU 45 0.389 -3.858 -0.348 341 H ILE 46 HN ILE 46 -1.413 -0.309 -5.014 342 HA ILE 46 HA ILE 46 0.637 1.497 -5.689 343 HB ILE 46 HB ILE 46 -2.322 2.037 -5.298 344 HG12 ILE 46 HG12 ILE 46 -2.345 2.215 -7.780 345 HG13 ILE 46 HG11 ILE 46 -0.666 1.681 -7.809 346 HG21 ILE 46 HG21 ILE 46 -0.956 4.072 -4.970 347 HG22 ILE 46 HG22 ILE 46 -1.995 4.164 -6.393 348 HG23 ILE 46 HG23 ILE 46 -0.272 3.839 -6.583 349 HD11 ILE 46 HD11 ILE 46 -2.138 -0.138 -8.368 350 HD12 ILE 46 HD12 ILE 46 -3.041 0.088 -6.869 351 HD13 ILE 46 HD13 ILE 46 -1.363 -0.457 -6.816 352 H VAL 47 HN VAL 47 1.603 3.065 -4.593 353 HA VAL 47 HA VAL 47 0.334 4.182 -2.241 354 HB VAL 47 HB VAL 47 1.753 2.487 -1.237 355 HG11 VAL 47 HG11 VAL 47 4.208 2.550 -1.511 356 HG12 VAL 47 HG12 VAL 47 4.014 3.752 -2.787 357 HG13 VAL 47 HG13 VAL 47 3.365 2.127 -3.000 358 HG21 VAL 47 HG21 VAL 47 3.192 3.953 0.150 359 HG22 VAL 47 HG22 VAL 47 1.536 4.537 -0.024 360 HG23 VAL 47 HG23 VAL 47 2.839 5.284 -0.954 361 H LYS 48 HN LYS 48 0.405 6.264 -2.446 362 HA LYS 48 HA LYS 48 2.781 7.562 -3.474 363 HB2 LYS 48 HB2 LYS 48 1.361 9.088 -4.896 364 HB3 LYS 48 HB1 LYS 48 1.558 7.441 -5.482 365 HG2 LYS 48 HG2 LYS 48 -0.639 6.859 -4.953 366 HG3 LYS 48 HG1 LYS 48 -0.829 8.215 -3.841 367 HD2 LYS 48 HD2 LYS 48 -0.837 9.777 -5.688 368 HD3 LYS 48 HD1 LYS 48 -0.517 8.471 -6.832 369 HE2 LYS 48 HE2 LYS 48 -2.654 7.482 -6.390 370 HE3 LYS 48 HE1 LYS 48 -2.956 8.610 -5.071 371 HZ1 LYS 48 HZ1 LYS 48 -4.151 9.205 -7.100 372 HZ2 LYS 48 HZ2 LYS 48 -2.685 9.368 -7.935 373 HZ3 LYS 48 HZ3 LYS 48 -3.050 10.414 -6.647 374 H LYS 49 HN LYS 49 3.373 8.968 -1.989 375 HA LYS 49 HA LYS 49 1.457 10.042 -0.127 376 HB2 LYS 49 HB2 LYS 49 3.773 9.449 0.559 377 HB3 LYS 49 HB1 LYS 49 4.385 10.734 -0.474 378 HG2 LYS 49 HG2 LYS 49 3.401 12.408 0.879 379 HG3 LYS 49 HG1 LYS 49 2.459 11.219 1.783 380 HD2 LYS 49 HD2 LYS 49 4.525 10.277 2.688 381 HD3 LYS 49 HD1 LYS 49 5.465 11.457 1.776 382 HE2 LYS 49 HE2 LYS 49 4.505 13.268 3.028 383 HE3 LYS 49 HE1 LYS 49 3.397 12.168 3.849 384 HZ1 LYS 49 HZ1 LYS 49 5.326 12.777 5.213 385 HZ2 LYS 49 HZ2 LYS 49 6.357 12.062 4.067 386 HZ3 LYS 49 HZ3 LYS 49 5.244 11.112 4.920 387 H GLY 50 HN GLY 50 0.135 11.567 -0.788 388 HA2 GLY 50 HA2 GLY 50 0.491 14.107 -1.397 389 HA3 GLY 50 HA1 GLY 50 0.944 13.371 -2.930 390 H SER 51 HN SER 51 -1.651 13.776 -0.616 391 HA SER 51 HA SER 51 -3.565 13.609 -2.812 392 HB2 SER 51 HB2 SER 51 -3.879 12.074 -0.216 393 HB3 SER 51 HB1 SER 51 -5.083 12.182 -1.499 394 HG SER 51 HG SER 51 -2.789 11.420 -2.590 Start of MODEL 5 1 H GLY 1 HT1 GLY 1 7.676 7.793 -12.405 2 HA2 GLY 1 HA1 GLY 1 5.625 8.944 -12.837 3 HA3 GLY 1 HA2 GLY 1 5.307 7.396 -12.063 4 H THR 2 HN THR 2 3.599 9.720 -12.104 5 HA THR 2 HA THR 2 3.705 11.193 -9.717 6 HB THR 2 HB THR 2 1.234 10.454 -11.297 7 HG1 THR 2 HG1 THR 2 3.067 12.636 -11.585 8 HG21 THR 2 HG21 THR 2 1.813 12.801 -9.485 9 HG22 THR 2 HG22 THR 2 0.743 11.449 -9.114 10 HG23 THR 2 HG23 THR 2 0.338 12.560 -10.422 11 H ASN 3 HN ASN 3 2.004 8.178 -10.516 12 HA ASN 3 HA ASN 3 1.442 7.766 -7.676 13 HB2 ASN 3 HB2 ASN 3 0.135 5.829 -8.356 14 HB3 ASN 3 HB1 ASN 3 -0.350 7.220 -9.315 15 HD21 ASN 3 HD21 ASN 3 -0.571 4.319 -9.802 16 HD22 ASN 3 HD22 ASN 3 0.182 4.048 -11.332 17 H THR 4 HN THR 4 2.425 6.125 -6.462 18 HA THR 4 HA THR 4 4.676 4.801 -7.816 19 HB THR 4 HB THR 4 4.318 5.757 -4.968 20 HG1 THR 4 HG1 THR 4 5.596 6.683 -7.217 21 HG21 THR 4 HG21 THR 4 5.460 3.591 -4.890 22 HG22 THR 4 HG22 THR 4 6.586 4.894 -4.510 23 HG23 THR 4 HG23 THR 4 6.618 4.141 -6.105 24 H TYR 5 HN TYR 5 4.984 2.555 -7.308 25 HA TYR 5 HA TYR 5 2.883 1.392 -5.644 26 HB2 TYR 5 HB2 TYR 5 3.194 -0.649 -7.358 27 HB3 TYR 5 HB1 TYR 5 1.997 0.616 -7.598 28 HD1 TYR 5 HD1 TYR 5 5.258 -0.685 -8.714 29 HD2 TYR 5 HD2 TYR 5 2.202 2.196 -9.376 30 HE1 TYR 5 HE1 TYR 5 6.239 -0.153 -10.908 31 HE2 TYR 5 HE2 TYR 5 3.166 2.734 -11.566 32 HH TYR 5 HH TYR 5 5.392 0.827 -13.129 33 H TYR 6 HN TYR 6 3.436 -0.661 -4.719 34 HA TYR 6 HA TYR 6 6.282 -1.237 -4.503 35 HB2 TYR 6 HB2 TYR 6 6.326 0.310 -2.810 36 HB3 TYR 6 HB1 TYR 6 4.610 0.161 -2.483 37 HD1 TYR 6 HD1 TYR 6 7.941 -1.300 -1.781 38 HD2 TYR 6 HD2 TYR 6 3.808 -1.268 -0.787 39 HE1 TYR 6 HE1 TYR 6 8.427 -2.549 0.285 40 HE2 TYR 6 HE2 TYR 6 4.269 -2.521 1.270 41 HH TYR 6 HH TYR 6 7.414 -2.913 2.500 42 H THR 7 HN THR 7 6.687 -3.362 -3.914 43 HA THR 7 HA THR 7 4.395 -5.118 -3.709 44 HB THR 7 HB THR 7 6.422 -6.819 -3.366 45 HG1 THR 7 HG1 THR 7 7.742 -5.162 -5.159 46 HG21 THR 7 HG21 THR 7 6.431 -7.131 -5.814 47 HG22 THR 7 HG22 THR 7 5.569 -5.600 -5.987 48 HG23 THR 7 HG23 THR 7 4.808 -6.952 -5.145 49 H VAL 8 HN VAL 8 3.539 -5.726 -1.897 50 HA VAL 8 HA VAL 8 4.289 -4.669 0.557 51 HB VAL 8 HB VAL 8 2.545 -7.072 0.006 52 HG11 VAL 8 HG11 VAL 8 1.593 -6.611 2.238 53 HG12 VAL 8 HG12 VAL 8 2.850 -5.402 2.497 54 HG13 VAL 8 HG13 VAL 8 3.287 -7.100 2.306 55 HG21 VAL 8 HG21 VAL 8 1.858 -4.162 0.454 56 HG22 VAL 8 HG22 VAL 8 0.695 -5.471 0.248 57 HG23 VAL 8 HG23 VAL 8 1.761 -5.023 -1.080 58 H LYS 9 HN LYS 9 5.754 -5.142 1.951 59 HA LYS 9 HA LYS 9 7.264 -7.625 1.824 60 HB2 LYS 9 HB2 LYS 9 7.786 -4.906 2.740 61 HB3 LYS 9 HB1 LYS 9 8.293 -6.109 3.913 62 HG2 LYS 9 HG2 LYS 9 10.132 -5.527 2.465 63 HG3 LYS 9 HG1 LYS 9 9.658 -7.202 2.194 64 HD2 LYS 9 HD2 LYS 9 8.494 -5.068 0.469 65 HD3 LYS 9 HD1 LYS 9 10.154 -5.592 0.182 66 HE2 LYS 9 HE2 LYS 9 9.371 -7.907 -0.047 67 HE3 LYS 9 HE1 LYS 9 7.712 -7.369 0.220 68 HZ1 LYS 9 HZ1 LYS 9 9.460 -6.518 -2.033 69 HZ2 LYS 9 HZ2 LYS 9 7.854 -6.034 -1.781 70 HZ3 LYS 9 HZ3 LYS 9 8.205 -7.657 -2.133 71 H SER 10 HN SER 10 8.050 -8.103 4.312 72 HA SER 10 HA SER 10 6.171 -9.601 5.555 73 HB2 SER 10 HB2 SER 10 8.423 -8.067 6.846 74 HB3 SER 10 HB1 SER 10 7.561 -9.411 7.602 75 HG SER 10 HG SER 10 9.429 -9.404 5.537 76 H GLY 11 HN GLY 11 6.268 -6.136 5.688 77 HA2 GLY 11 HA2 GLY 11 4.391 -5.872 7.849 78 HA3 GLY 11 HA1 GLY 11 4.789 -4.639 6.657 79 H ASP 12 HN ASP 12 3.354 -7.857 6.591 80 HA ASP 12 HA ASP 12 2.004 -7.599 4.190 81 HB2 ASP 12 HB2 ASP 12 0.810 -9.637 4.842 82 HB3 ASP 12 HB1 ASP 12 2.549 -9.744 5.126 83 H THR 13 HN THR 13 1.068 -5.838 6.822 84 HA THR 13 HA THR 13 -1.780 -6.259 6.188 85 HB THR 13 HB THR 13 -0.770 -5.248 8.853 86 HG1 THR 13 HG1 THR 13 -0.771 -7.799 7.858 87 HG21 THR 13 HG21 THR 13 -3.009 -5.862 9.622 88 HG22 THR 13 HG22 THR 13 -3.425 -6.422 8.003 89 HG23 THR 13 HG23 THR 13 -3.102 -4.711 8.291 90 H LEU 14 HN LEU 14 -3.090 -4.370 6.180 91 HA LEU 14 HA LEU 14 -2.024 -2.375 4.592 92 HB2 LEU 14 HB2 LEU 14 -4.463 -3.118 5.069 93 HB3 LEU 14 HB1 LEU 14 -4.415 -1.929 6.348 94 HG LEU 14 HG LEU 14 -5.521 -1.034 4.387 95 HD11 LEU 14 HD11 LEU 14 -2.823 0.231 4.792 96 HD12 LEU 14 HD12 LEU 14 -4.282 0.551 5.729 97 HD13 LEU 14 HD13 LEU 14 -4.215 0.993 4.024 98 HD21 LEU 14 HD21 LEU 14 -4.476 -2.410 2.696 99 HD22 LEU 14 HD22 LEU 14 -2.937 -1.585 2.947 100 HD23 LEU 14 HD23 LEU 14 -4.315 -0.702 2.290 101 H ASN 15 HN ASN 15 -2.739 -2.296 8.072 102 HA ASN 15 HA ASN 15 -1.960 0.415 8.396 103 HB2 ASN 15 HB2 ASN 15 -2.142 0.012 10.790 104 HB3 ASN 15 HB1 ASN 15 -3.514 -0.700 9.953 105 HD21 ASN 15 HD21 ASN 15 -2.409 -1.297 12.565 106 HD22 ASN 15 HD22 ASN 15 -2.001 -2.980 12.545 107 H LYS 16 HN LYS 16 -0.228 -2.610 8.432 108 HA LYS 16 HA LYS 16 2.039 -1.658 9.879 109 HB2 LYS 16 HB2 LYS 16 1.750 -4.011 7.995 110 HB3 LYS 16 HB1 LYS 16 3.151 -3.709 9.014 111 HG2 LYS 16 HG2 LYS 16 1.888 -4.067 10.998 112 HG3 LYS 16 HG1 LYS 16 0.370 -4.083 10.101 113 HD2 LYS 16 HD2 LYS 16 0.953 -6.346 10.663 114 HD3 LYS 16 HD1 LYS 16 1.149 -6.131 8.926 115 HE2 LYS 16 HE2 LYS 16 3.555 -5.882 9.219 116 HE3 LYS 16 HE1 LYS 16 3.369 -6.056 10.964 117 HZ1 LYS 16 HZ1 LYS 16 4.027 -8.152 10.115 118 HZ2 LYS 16 HZ2 LYS 16 2.863 -8.120 8.884 119 HZ3 LYS 16 HZ3 LYS 16 2.381 -8.294 10.499 120 H ILE 17 HN ILE 17 1.374 -2.162 6.408 121 HA ILE 17 HA ILE 17 3.916 -1.095 5.654 122 HB ILE 17 HB ILE 17 2.798 -0.967 3.336 123 HG12 ILE 17 HG12 ILE 17 0.866 -2.866 4.648 124 HG13 ILE 17 HG11 ILE 17 0.465 -1.207 4.205 125 HG21 ILE 17 HG21 ILE 17 4.485 -2.566 3.926 126 HG22 ILE 17 HG22 ILE 17 3.219 -3.342 2.971 127 HG23 ILE 17 HG23 ILE 17 3.275 -3.577 4.718 128 HD11 ILE 17 HD11 ILE 17 1.444 -3.275 2.248 129 HD12 ILE 17 HD12 ILE 17 0.773 -1.682 1.893 130 HD13 ILE 17 HD13 ILE 17 -0.261 -2.942 2.568 131 H ALA 18 HN ALA 18 0.629 0.198 5.747 132 HA ALA 18 HA ALA 18 1.068 2.619 4.441 133 HB1 ALA 18 HB1 ALA 18 -0.876 3.450 5.626 134 HB2 ALA 18 HB2 ALA 18 -0.761 2.120 6.777 135 HB3 ALA 18 HB3 ALA 18 -1.147 1.794 5.087 136 H ALA 19 HN ALA 19 1.313 1.879 7.906 137 HA ALA 19 HA ALA 19 2.200 4.501 8.592 138 HB1 ALA 19 HB1 ALA 19 0.999 3.088 10.181 139 HB2 ALA 19 HB2 ALA 19 2.576 3.568 10.813 140 HB3 ALA 19 HB3 ALA 19 2.340 1.940 10.176 141 H GLN 20 HN GLN 20 3.734 1.637 7.433 142 HA GLN 20 HA GLN 20 6.304 2.089 8.546 143 HB2 GLN 20 HB2 GLN 20 5.411 -0.075 7.527 144 HB3 GLN 20 HB1 GLN 20 5.783 0.631 5.961 145 HG2 GLN 20 HG2 GLN 20 7.581 -0.804 6.624 146 HG3 GLN 20 HG1 GLN 20 8.135 0.869 6.654 147 HE21 GLN 20 HE21 GLN 20 9.207 -1.455 8.044 148 HE22 GLN 20 HE22 GLN 20 9.159 -1.065 9.734 149 H TYR 21 HN TYR 21 4.960 2.904 5.319 150 HA TYR 21 HA TYR 21 7.341 4.564 4.909 151 HB2 TYR 21 HB2 TYR 21 6.341 4.798 2.522 152 HB3 TYR 21 HB1 TYR 21 7.168 3.321 2.985 153 HD1 TYR 21 HD1 TYR 21 3.651 4.587 3.361 154 HD2 TYR 21 HD2 TYR 21 6.233 1.485 2.020 155 HE1 TYR 21 HE1 TYR 21 1.700 3.274 2.643 156 HE2 TYR 21 HE2 TYR 21 4.290 0.167 1.301 157 HH TYR 21 HH TYR 21 1.146 1.475 1.100 158 H GLY 22 HN GLY 22 4.365 4.937 6.161 159 HA2 GLY 22 HA2 GLY 22 3.608 6.902 7.113 160 HA3 GLY 22 HA1 GLY 22 4.836 7.773 6.216 161 H VAL 23 HN VAL 23 2.115 5.758 5.054 162 HA VAL 23 HA VAL 23 0.932 8.253 4.017 163 HB VAL 23 HB VAL 23 1.813 6.576 2.237 164 HG11 VAL 23 HG11 VAL 23 -0.740 5.187 3.009 165 HG12 VAL 23 HG12 VAL 23 0.895 4.550 3.197 166 HG13 VAL 23 HG13 VAL 23 0.241 4.834 1.584 167 HG21 VAL 23 HG21 VAL 23 -0.003 7.121 0.717 168 HG22 VAL 23 HG22 VAL 23 0.452 8.507 1.709 169 HG23 VAL 23 HG23 VAL 23 -1.007 7.592 2.088 170 H SER 24 HN SER 24 -1.481 8.065 3.784 171 HA SER 24 HA SER 24 -2.519 7.124 6.269 172 HB2 SER 24 HB2 SER 24 -3.330 9.220 5.348 173 HB3 SER 24 HB1 SER 24 -3.888 8.401 3.892 174 HG SER 24 HG SER 24 -5.012 8.514 6.430 175 H VAL 25 HN VAL 25 -3.962 5.531 6.661 176 HA VAL 25 HA VAL 25 -4.080 3.231 5.071 177 HB VAL 25 HB VAL 25 -6.047 4.223 7.151 178 HG11 VAL 25 HG11 VAL 25 -5.621 1.442 6.075 179 HG12 VAL 25 HG12 VAL 25 -7.022 2.472 5.775 180 HG13 VAL 25 HG13 VAL 25 -6.691 1.882 7.405 181 HG21 VAL 25 HG21 VAL 25 -4.816 2.778 8.701 182 HG22 VAL 25 HG22 VAL 25 -3.786 4.043 8.030 183 HG23 VAL 25 HG23 VAL 25 -3.667 2.391 7.422 184 H ALA 26 HN ALA 26 -6.004 6.140 5.176 185 HA ALA 26 HA ALA 26 -8.237 5.173 3.725 186 HB1 ALA 26 HB1 ALA 26 -8.914 7.499 3.596 187 HB2 ALA 26 HB2 ALA 26 -7.309 8.013 4.112 188 HB3 ALA 26 HB3 ALA 26 -8.343 7.109 5.219 189 H ASN 27 HN ASN 27 -5.345 7.040 2.704 190 HA ASN 27 HA ASN 27 -6.432 7.327 0.071 191 HB2 ASN 27 HB2 ASN 27 -4.064 8.187 -0.498 192 HB3 ASN 27 HB1 ASN 27 -5.105 9.153 0.535 193 HD21 ASN 27 HD21 ASN 27 -3.543 10.247 1.540 194 HD22 ASN 27 HD22 ASN 27 -2.374 9.521 2.597 195 H LEU 28 HN LEU 28 -3.874 5.202 1.432 196 HA LEU 28 HA LEU 28 -3.285 4.248 -1.184 197 HB2 LEU 28 HB2 LEU 28 -1.700 2.894 -0.307 198 HB3 LEU 28 HB1 LEU 28 -1.842 4.058 0.985 199 HG LEU 28 HG LEU 28 -3.422 2.321 2.083 200 HD11 LEU 28 HD11 LEU 28 -2.876 -0.013 1.487 201 HD12 LEU 28 HD12 LEU 28 -1.929 0.573 0.116 202 HD13 LEU 28 HD13 LEU 28 -3.673 0.834 0.157 203 HD21 LEU 28 HD21 LEU 28 -0.444 2.021 1.767 204 HD22 LEU 28 HD22 LEU 28 -1.392 1.114 2.951 205 HD23 LEU 28 HD23 LEU 28 -1.323 2.876 3.038 206 H ARG 29 HN ARG 29 -5.606 3.262 1.268 207 HA ARG 29 HA ARG 29 -6.520 0.957 -0.109 208 HB2 ARG 29 HB2 ARG 29 -7.789 2.804 1.890 209 HB3 ARG 29 HB1 ARG 29 -8.719 1.523 1.133 210 HG2 ARG 29 HG2 ARG 29 -7.248 -0.151 2.047 211 HG3 ARG 29 HG1 ARG 29 -6.195 1.101 2.719 212 HD2 ARG 29 HD2 ARG 29 -7.913 1.843 4.208 213 HD3 ARG 29 HD1 ARG 29 -9.110 0.801 3.437 214 HE ARG 29 HE ARG 29 -7.060 -0.824 4.383 215 HH11 ARG 29 HH11 ARG 29 -9.539 1.300 5.653 216 HH12 ARG 29 HH12 ARG 29 -9.662 0.463 7.174 217 HH21 ARG 29 HH21 ARG 29 -7.227 -1.930 6.396 218 HH22 ARG 29 HH22 ARG 29 -8.357 -1.374 7.592 219 H SER 30 HN SER 30 -7.175 4.378 -0.458 220 HA SER 30 HA SER 30 -9.636 4.183 -1.802 221 HB2 SER 30 HB2 SER 30 -8.857 6.232 -0.687 222 HB3 SER 30 HB1 SER 30 -7.586 6.408 -1.898 223 HG SER 30 HG SER 30 -10.396 6.468 -2.352 224 H TRP 31 HN TRP 31 -6.310 4.506 -3.101 225 HA TRP 31 HA TRP 31 -7.424 4.443 -5.785 226 HB2 TRP 31 HB2 TRP 31 -4.941 4.596 -6.470 227 HB3 TRP 31 HB1 TRP 31 -5.704 6.001 -5.724 228 HD1 TRP 31 HD1 TRP 31 -3.941 2.911 -4.159 229 HE1 TRP 31 HE1 TRP 31 -2.193 3.774 -2.486 230 HE3 TRP 31 HE3 TRP 31 -4.560 7.935 -4.839 231 HZ2 TRP 31 HZ2 TRP 31 -1.202 6.249 -1.577 232 HZ3 TRP 31 HZ3 TRP 31 -3.159 9.480 -3.534 233 HH2 TRP 31 HH2 TRP 31 -1.525 8.654 -1.936 234 H ASN 32 HN ASN 32 -6.636 2.080 -3.621 235 HA ASN 32 HA ASN 32 -5.877 0.245 -5.793 236 HB2 ASN 32 HB2 ASN 32 -5.537 0.064 -2.812 237 HB3 ASN 32 HB1 ASN 32 -5.491 -1.381 -3.815 238 HD21 ASN 32 HD21 ASN 32 -3.827 1.389 -2.745 239 HD22 ASN 32 HD22 ASN 32 -2.344 1.105 -3.596 240 H GLY 33 HN GLY 33 -8.439 1.106 -3.668 241 HA2 GLY 33 HA2 GLY 33 -10.448 0.119 -3.127 242 HA3 GLY 33 HA1 GLY 33 -10.345 -0.646 -4.712 243 H ILE 34 HN ILE 34 -8.208 -0.981 -1.936 244 HA ILE 34 HA ILE 34 -8.612 -3.889 -2.114 245 HB ILE 34 HB ILE 34 -6.115 -2.280 -1.648 246 HG12 ILE 34 HG12 ILE 34 -6.658 -2.804 -3.953 247 HG13 ILE 34 HG11 ILE 34 -5.250 -3.740 -3.455 248 HG21 ILE 34 HG21 ILE 34 -6.428 -5.234 -1.115 249 HG22 ILE 34 HG22 ILE 34 -6.162 -3.987 0.106 250 HG23 ILE 34 HG23 ILE 34 -4.913 -4.330 -1.093 251 HD11 ILE 34 HD11 ILE 34 -6.702 -5.674 -3.083 252 HD12 ILE 34 HD12 ILE 34 -6.747 -5.102 -4.753 253 HD13 ILE 34 HD13 ILE 34 -8.076 -4.729 -3.653 254 H SER 35 HN SER 35 -9.311 -4.897 -0.383 255 HA SER 35 HA SER 35 -9.375 -3.636 2.205 256 HB2 SER 35 HB2 SER 35 -9.866 -6.552 1.558 257 HB3 SER 35 HB1 SER 35 -10.459 -5.645 2.949 258 HG SER 35 HG SER 35 -11.182 -5.260 0.222 259 H GLY 36 HN GLY 36 -7.672 -3.545 3.495 260 HA2 GLY 36 HA2 GLY 36 -5.178 -4.662 2.859 261 HA3 GLY 36 HA1 GLY 36 -5.586 -3.888 4.378 262 H ASP 37 HN ASP 37 -7.751 -6.312 4.084 263 HA ASP 37 HA ASP 37 -6.440 -7.985 5.993 264 HB2 ASP 37 HB2 ASP 37 -8.982 -8.475 4.425 265 HB3 ASP 37 HB1 ASP 37 -8.471 -9.346 5.869 266 H LEU 38 HN LEU 38 -7.098 -8.143 2.534 267 HA LEU 38 HA LEU 38 -5.827 -10.773 2.397 268 HB2 LEU 38 HB2 LEU 38 -6.538 -10.717 -0.011 269 HB3 LEU 38 HB1 LEU 38 -7.830 -10.765 1.167 270 HG LEU 38 HG LEU 38 -7.034 -8.087 0.143 271 HD11 LEU 38 HD11 LEU 38 -7.052 -9.473 -1.882 272 HD12 LEU 38 HD12 LEU 38 -8.422 -8.364 -1.845 273 HD13 LEU 38 HD13 LEU 38 -8.656 -10.068 -1.455 274 HD21 LEU 38 HD21 LEU 38 -8.785 -8.323 1.821 275 HD22 LEU 38 HD22 LEU 38 -9.662 -9.433 0.767 276 HD23 LEU 38 HD23 LEU 38 -9.460 -7.745 0.298 277 H ILE 39 HN ILE 39 -4.226 -8.474 2.999 278 HA ILE 39 HA ILE 39 -2.614 -8.199 0.574 279 HB ILE 39 HB ILE 39 -2.545 -6.759 3.225 280 HG12 ILE 39 HG12 ILE 39 -2.934 -5.897 0.350 281 HG13 ILE 39 HG11 ILE 39 -4.130 -5.864 1.640 282 HG21 ILE 39 HG21 ILE 39 -0.577 -5.533 2.430 283 HG22 ILE 39 HG22 ILE 39 -0.487 -6.609 1.029 284 HG23 ILE 39 HG23 ILE 39 -0.239 -7.255 2.658 285 HD11 ILE 39 HD11 ILE 39 -1.633 -4.180 1.541 286 HD12 ILE 39 HD12 ILE 39 -2.887 -4.115 2.778 287 HD13 ILE 39 HD13 ILE 39 -3.256 -3.631 1.123 288 H PHE 40 HN PHE 40 -0.629 -9.087 0.359 289 HA PHE 40 HA PHE 40 0.512 -10.617 2.565 290 HB2 PHE 40 HB2 PHE 40 0.801 -12.579 0.994 291 HB3 PHE 40 HB1 PHE 40 -0.856 -12.275 1.507 292 HD1 PHE 40 HD2 PHE 40 1.505 -12.086 -1.299 293 HD2 PHE 40 HD1 PHE 40 -2.529 -11.576 -0.054 294 HE1 PHE 40 HE2 PHE 40 0.797 -11.990 -3.652 295 HE2 PHE 40 HE1 PHE 40 -3.248 -11.481 -2.405 296 HZ PHE 40 HZ PHE 40 -1.582 -11.687 -4.206 297 H VAL 41 HN VAL 41 2.707 -11.567 1.812 298 HA VAL 41 HA VAL 41 4.307 -9.440 0.838 299 HB VAL 41 HB VAL 41 5.015 -12.376 1.063 300 HG11 VAL 41 HG11 VAL 41 7.333 -11.617 1.113 301 HG12 VAL 41 HG12 VAL 41 6.802 -9.952 0.884 302 HG13 VAL 41 HG13 VAL 41 6.549 -11.141 -0.392 303 HG21 VAL 41 HG21 VAL 41 6.017 -11.758 3.213 304 HG22 VAL 41 HG22 VAL 41 4.281 -11.447 3.192 305 HG23 VAL 41 HG23 VAL 41 5.419 -10.111 3.014 306 H GLY 42 HN GLY 42 4.873 -8.886 -1.191 307 HA2 GLY 42 HA2 GLY 42 5.418 -9.353 -3.463 308 HA3 GLY 42 HA1 GLY 42 4.471 -10.830 -3.358 309 H GLN 43 HN GLN 43 2.502 -8.893 -1.860 310 HA GLN 43 HA GLN 43 0.677 -8.495 -3.951 311 HB2 GLN 43 HB2 GLN 43 -0.030 -8.608 -1.627 312 HB3 GLN 43 HB1 GLN 43 0.890 -7.162 -1.242 313 HG2 GLN 43 HG2 GLN 43 -1.353 -6.493 -1.373 314 HG3 GLN 43 HG1 GLN 43 -0.593 -5.935 -2.862 315 HE21 GLN 43 HE21 GLN 43 -2.847 -8.152 -1.453 316 HE22 GLN 43 HE22 GLN 43 -3.580 -8.675 -2.937 317 H LYS 44 HN LYS 44 0.546 -6.963 -5.469 318 HA LYS 44 HA LYS 44 2.343 -4.669 -5.321 319 HB2 LYS 44 HB2 LYS 44 2.195 -5.997 -7.421 320 HB3 LYS 44 HB1 LYS 44 0.499 -5.555 -7.556 321 HG2 LYS 44 HG2 LYS 44 1.655 -4.119 -9.007 322 HG3 LYS 44 HG1 LYS 44 1.256 -3.147 -7.589 323 HD2 LYS 44 HD2 LYS 44 3.541 -2.716 -8.300 324 HD3 LYS 44 HD1 LYS 44 3.530 -3.509 -6.723 325 HE2 LYS 44 HE2 LYS 44 5.246 -4.485 -8.144 326 HE3 LYS 44 HE1 LYS 44 3.977 -5.664 -7.812 327 HZ1 LYS 44 HZ1 LYS 44 3.044 -4.684 -10.068 328 HZ2 LYS 44 HZ2 LYS 44 4.175 -5.945 -10.037 329 HZ3 LYS 44 HZ3 LYS 44 4.691 -4.355 -10.329 330 H LEU 45 HN LEU 45 1.525 -3.021 -4.140 331 HA LEU 45 HA LEU 45 -1.232 -2.239 -4.763 332 HB2 LEU 45 HB2 LEU 45 -1.792 -1.830 -2.542 333 HB3 LEU 45 HB1 LEU 45 -0.901 -3.331 -2.474 334 HG LEU 45 HG LEU 45 -0.268 -2.135 -0.582 335 HD11 LEU 45 HD11 LEU 45 2.085 -1.677 -0.841 336 HD12 LEU 45 HD12 LEU 45 1.900 -1.657 -2.594 337 HD13 LEU 45 HD13 LEU 45 1.614 -3.146 -1.692 338 HD21 LEU 45 HD21 LEU 45 -1.125 0.043 -1.153 339 HD22 LEU 45 HD22 LEU 45 0.194 0.289 -2.297 340 HD23 LEU 45 HD23 LEU 45 0.534 0.170 -0.570 341 H ILE 46 HN ILE 46 -1.647 -0.113 -5.089 342 HA ILE 46 HA ILE 46 0.538 1.557 -5.827 343 HB ILE 46 HB ILE 46 -2.371 2.299 -5.436 344 HG12 ILE 46 HG12 ILE 46 -2.124 0.597 -7.162 345 HG13 ILE 46 HG11 ILE 46 -2.533 2.151 -7.888 346 HG21 ILE 46 HG21 ILE 46 -0.175 3.778 -6.879 347 HG22 ILE 46 HG22 ILE 46 -0.896 4.242 -5.336 348 HG23 ILE 46 HG23 ILE 46 -1.874 4.256 -6.808 349 HD11 ILE 46 HD11 ILE 46 -0.854 0.981 -9.192 350 HD12 ILE 46 HD12 ILE 46 0.210 0.908 -7.786 351 HD13 ILE 46 HD13 ILE 46 -0.194 2.466 -8.507 352 H VAL 47 HN VAL 47 1.609 2.990 -4.662 353 HA VAL 47 HA VAL 47 0.321 4.131 -2.323 354 HB VAL 47 HB VAL 47 1.759 2.357 -1.442 355 HG11 VAL 47 HG11 VAL 47 4.032 3.845 -2.751 356 HG12 VAL 47 HG12 VAL 47 3.417 2.261 -3.219 357 HG13 VAL 47 HG13 VAL 47 4.193 2.477 -1.649 358 HG21 VAL 47 HG21 VAL 47 3.152 3.807 0.070 359 HG22 VAL 47 HG22 VAL 47 1.435 4.206 -0.016 360 HG23 VAL 47 HG23 VAL 47 2.617 5.188 -0.892 361 H LYS 48 HN LYS 48 0.331 6.175 -2.506 362 HA LYS 48 HA LYS 48 2.643 7.571 -3.622 363 HB2 LYS 48 HB2 LYS 48 1.185 7.647 -5.429 364 HB3 LYS 48 HB1 LYS 48 -0.235 7.858 -4.411 365 HG2 LYS 48 HG2 LYS 48 0.489 10.153 -3.905 366 HG3 LYS 48 HG1 LYS 48 1.894 9.927 -4.951 367 HD2 LYS 48 HD2 LYS 48 0.486 9.622 -6.873 368 HD3 LYS 48 HD1 LYS 48 -0.963 9.625 -5.870 369 HE2 LYS 48 HE2 LYS 48 -0.634 11.752 -7.053 370 HE3 LYS 48 HE1 LYS 48 -0.610 11.948 -5.302 371 HZ1 LYS 48 HZ1 LYS 48 1.664 12.311 -5.296 372 HZ2 LYS 48 HZ2 LYS 48 1.149 13.148 -6.676 373 HZ3 LYS 48 HZ3 LYS 48 1.899 11.636 -6.833 374 H LYS 49 HN LYS 49 3.224 9.425 -2.560 375 HA LYS 49 HA LYS 49 2.147 9.583 0.106 376 HB2 LYS 49 HB2 LYS 49 4.437 10.926 -1.302 377 HB3 LYS 49 HB1 LYS 49 3.931 11.425 0.309 378 HG2 LYS 49 HG2 LYS 49 4.389 9.241 1.188 379 HG3 LYS 49 HG1 LYS 49 4.724 8.617 -0.428 380 HD2 LYS 49 HD2 LYS 49 6.704 9.905 -0.616 381 HD3 LYS 49 HD1 LYS 49 6.296 10.865 0.810 382 HE2 LYS 49 HE2 LYS 49 6.742 7.892 0.931 383 HE3 LYS 49 HE1 LYS 49 8.054 9.056 1.118 384 HZ1 LYS 49 HZ1 LYS 49 7.150 9.881 3.079 385 HZ2 LYS 49 HZ2 LYS 49 6.901 8.207 3.220 386 HZ3 LYS 49 HZ3 LYS 49 5.619 9.224 2.784 387 H GLY 50 HN GLY 50 0.253 10.525 0.274 388 HA2 GLY 50 HA2 GLY 50 0.079 13.340 -0.600 389 HA3 GLY 50 HA1 GLY 50 -1.316 12.262 -0.577 390 H SER 51 HN SER 51 1.043 11.908 1.836 391 HA SER 51 HA SER 51 -0.588 13.328 3.810 392 HB2 SER 51 HB2 SER 51 0.632 10.574 4.179 393 HB3 SER 51 HB1 SER 51 -0.329 11.460 5.364 394 HG SER 51 HG SER 51 -1.955 11.452 3.515 Start of MODEL 6 1 H GLY 1 HT1 GLY 1 -0.507 8.670 -12.836 2 HA2 GLY 1 HA1 GLY 1 1.444 10.606 -13.957 3 HA3 GLY 1 HA2 GLY 1 0.333 10.914 -12.628 4 H THR 2 HN THR 2 1.617 11.127 -10.875 5 HA THR 2 HA THR 2 3.886 9.359 -10.510 6 HB THR 2 HB THR 2 2.832 11.460 -8.600 7 HG1 THR 2 HG1 THR 2 4.579 11.598 -10.835 8 HG21 THR 2 HG21 THR 2 5.126 11.441 -7.732 9 HG22 THR 2 HG22 THR 2 5.552 10.164 -8.870 10 HG23 THR 2 HG23 THR 2 4.381 9.851 -7.588 11 H ASN 3 HN ASN 3 2.277 7.539 -10.587 12 HA ASN 3 HA ASN 3 1.086 7.021 -7.947 13 HB2 ASN 3 HB2 ASN 3 -0.109 6.733 -10.333 14 HB3 ASN 3 HB1 ASN 3 0.688 5.168 -10.249 15 HD21 ASN 3 HD21 ASN 3 -1.158 3.994 -10.075 16 HD22 ASN 3 HD22 ASN 3 -2.166 4.031 -8.666 17 H THR 4 HN THR 4 2.425 5.898 -6.608 18 HA THR 4 HA THR 4 4.427 4.158 -7.863 19 HB THR 4 HB THR 4 4.226 5.212 -5.024 20 HG1 THR 4 HG1 THR 4 4.730 6.836 -6.559 21 HG21 THR 4 HG21 THR 4 6.479 3.722 -6.388 22 HG22 THR 4 HG22 THR 4 5.447 3.096 -5.098 23 HG23 THR 4 HG23 THR 4 6.549 4.434 -4.775 24 H TYR 5 HN TYR 5 4.645 1.970 -7.030 25 HA TYR 5 HA TYR 5 2.442 1.196 -5.249 26 HB2 TYR 5 HB2 TYR 5 2.573 -1.125 -6.351 27 HB3 TYR 5 HB1 TYR 5 1.812 0.155 -7.290 28 HD1 TYR 5 HD1 TYR 5 5.155 -1.445 -6.808 29 HD2 TYR 5 HD2 TYR 5 2.408 0.369 -9.502 30 HE1 TYR 5 HE1 TYR 5 6.647 -1.981 -8.678 31 HE2 TYR 5 HE2 TYR 5 3.898 -0.159 -11.383 32 HH TYR 5 HH TYR 5 6.125 -0.736 -11.876 33 H TYR 6 HN TYR 6 2.907 -0.434 -3.784 34 HA TYR 6 HA TYR 6 5.779 -0.795 -3.278 35 HB2 TYR 6 HB2 TYR 6 4.907 0.616 -1.568 36 HB3 TYR 6 HB1 TYR 6 3.461 -0.372 -1.391 37 HD1 TYR 6 HD2 TYR 6 7.155 -0.479 -0.909 38 HD2 TYR 6 HD1 TYR 6 3.359 -2.009 0.250 39 HE1 TYR 6 HE2 TYR 6 8.223 -1.722 0.920 40 HE2 TYR 6 HE1 TYR 6 4.413 -3.258 2.082 41 HH TYR 6 HH TYR 6 7.818 -2.826 2.876 42 H THR 7 HN THR 7 6.398 -2.830 -3.591 43 HA THR 7 HA THR 7 4.625 -5.038 -3.507 44 HB THR 7 HB THR 7 6.987 -6.241 -3.134 45 HG1 THR 7 HG1 THR 7 8.161 -4.293 -2.924 46 HG21 THR 7 HG21 THR 7 7.116 -6.454 -5.538 47 HG22 THR 7 HG22 THR 7 6.098 -5.028 -5.744 48 HG23 THR 7 HG23 THR 7 5.428 -6.492 -5.018 49 H VAL 8 HN VAL 8 3.657 -5.701 -1.799 50 HA VAL 8 HA VAL 8 4.230 -4.932 0.816 51 HB VAL 8 HB VAL 8 2.708 -7.371 -0.099 52 HG11 VAL 8 HG11 VAL 8 3.332 -7.516 2.239 53 HG12 VAL 8 HG12 VAL 8 1.599 -7.210 2.089 54 HG13 VAL 8 HG13 VAL 8 2.692 -5.898 2.533 55 HG21 VAL 8 HG21 VAL 8 1.811 -5.324 -1.084 56 HG22 VAL 8 HG22 VAL 8 1.758 -4.565 0.504 57 HG23 VAL 8 HG23 VAL 8 0.714 -5.940 0.153 58 H LYS 9 HN LYS 9 5.621 -5.585 2.247 59 HA LYS 9 HA LYS 9 7.047 -8.112 1.844 60 HB2 LYS 9 HB2 LYS 9 8.002 -5.431 2.468 61 HB3 LYS 9 HB1 LYS 9 8.594 -6.639 3.604 62 HG2 LYS 9 HG2 LYS 9 10.094 -6.285 1.662 63 HG3 LYS 9 HG1 LYS 9 9.529 -7.949 1.827 64 HD2 LYS 9 HD2 LYS 9 7.620 -7.080 0.210 65 HD3 LYS 9 HD1 LYS 9 8.854 -5.901 -0.228 66 HE2 LYS 9 HE2 LYS 9 9.266 -8.886 -0.260 67 HE3 LYS 9 HE1 LYS 9 8.815 -7.935 -1.673 68 HZ1 LYS 9 HZ1 LYS 9 10.862 -6.763 -1.574 69 HZ2 LYS 9 HZ2 LYS 9 11.231 -8.411 -1.470 70 HZ3 LYS 9 HZ3 LYS 9 11.273 -7.448 -0.076 71 H SER 10 HN SER 10 8.186 -8.461 4.273 72 HA SER 10 HA SER 10 6.454 -10.025 5.593 73 HB2 SER 10 HB2 SER 10 8.657 -8.427 6.890 74 HB3 SER 10 HB1 SER 10 7.981 -9.948 7.482 75 HG SER 10 HG SER 10 8.981 -11.033 5.933 76 H GLY 11 HN GLY 11 6.611 -6.549 6.051 77 HA2 GLY 11 HA2 GLY 11 4.774 -6.539 8.272 78 HA3 GLY 11 HA1 GLY 11 5.237 -5.148 7.296 79 H ASP 12 HN ASP 12 3.502 -8.207 6.891 80 HA ASP 12 HA ASP 12 2.163 -7.526 4.552 81 HB2 ASP 12 HB2 ASP 12 0.852 -9.517 4.839 82 HB3 ASP 12 HB1 ASP 12 2.511 -9.840 5.327 83 H THR 13 HN THR 13 1.539 -5.902 7.298 84 HA THR 13 HA THR 13 -1.386 -6.127 7.001 85 HB THR 13 HB THR 13 -0.051 -5.204 9.537 86 HG1 THR 13 HG1 THR 13 0.040 -7.707 8.443 87 HG21 THR 13 HG21 THR 13 -2.685 -6.570 8.961 88 HG22 THR 13 HG22 THR 13 -2.467 -4.858 9.313 89 HG23 THR 13 HG23 THR 13 -2.118 -6.064 10.550 90 H LEU 14 HN LEU 14 -2.612 -4.218 7.253 91 HA LEU 14 HA LEU 14 -1.728 -2.216 5.559 92 HB2 LEU 14 HB2 LEU 14 -3.979 -2.351 7.538 93 HB3 LEU 14 HB1 LEU 14 -3.700 -0.910 6.588 94 HG LEU 14 HG LEU 14 -5.477 -2.353 5.667 95 HD11 LEU 14 HD11 LEU 14 -4.684 -2.326 3.358 96 HD12 LEU 14 HD12 LEU 14 -3.033 -2.086 3.930 97 HD13 LEU 14 HD13 LEU 14 -4.255 -0.846 4.215 98 HD21 LEU 14 HD21 LEU 14 -4.591 -4.534 6.302 99 HD22 LEU 14 HD22 LEU 14 -3.239 -4.321 5.190 100 HD23 LEU 14 HD23 LEU 14 -4.883 -4.456 4.564 101 H ASN 15 HN ASN 15 -2.045 -2.139 9.088 102 HA ASN 15 HA ASN 15 -1.311 0.552 9.389 103 HB2 ASN 15 HB2 ASN 15 -0.965 0.025 11.766 104 HB3 ASN 15 HB1 ASN 15 -2.464 -0.670 11.164 105 HD21 ASN 15 HD21 ASN 15 -0.858 -1.409 13.482 106 HD22 ASN 15 HD22 ASN 15 -0.449 -3.073 13.272 107 H LYS 16 HN LYS 16 0.625 -2.371 9.110 108 HA LYS 16 HA LYS 16 2.967 -1.134 10.221 109 HB2 LYS 16 HB2 LYS 16 2.551 -3.731 8.751 110 HB3 LYS 16 HB1 LYS 16 4.129 -3.197 9.315 111 HG2 LYS 16 HG2 LYS 16 1.707 -3.778 11.005 112 HG3 LYS 16 HG1 LYS 16 3.193 -4.725 10.907 113 HD2 LYS 16 HD2 LYS 16 2.993 -1.884 11.909 114 HD3 LYS 16 HD1 LYS 16 3.115 -3.317 12.929 115 HE2 LYS 16 HE2 LYS 16 5.302 -3.808 12.093 116 HE3 LYS 16 HE1 LYS 16 5.170 -2.550 10.865 117 HZ1 LYS 16 HZ1 LYS 16 6.526 -1.895 12.802 118 HZ2 LYS 16 HZ2 LYS 16 5.156 -2.039 13.796 119 HZ3 LYS 16 HZ3 LYS 16 5.190 -0.874 12.561 120 H ILE 17 HN ILE 17 1.903 -1.981 6.947 121 HA ILE 17 HA ILE 17 4.311 -0.975 5.797 122 HB ILE 17 HB ILE 17 2.996 -1.159 3.621 123 HG12 ILE 17 HG12 ILE 17 1.126 -2.701 5.417 124 HG13 ILE 17 HG11 ILE 17 0.736 -1.197 4.582 125 HG21 ILE 17 HG21 ILE 17 3.531 -3.560 5.329 126 HG22 ILE 17 HG22 ILE 17 4.695 -2.713 4.306 127 HG23 ILE 17 HG23 ILE 17 3.339 -3.579 3.577 128 HD11 ILE 17 HD11 ILE 17 1.614 -3.667 3.121 129 HD12 ILE 17 HD12 ILE 17 0.814 -2.230 2.477 130 HD13 ILE 17 HD13 ILE 17 -0.078 -3.341 3.519 131 H ALA 18 HN ALA 18 1.035 0.291 6.123 132 HA ALA 18 HA ALA 18 1.346 2.585 4.550 133 HB1 ALA 18 HB1 ALA 18 -0.814 1.800 5.394 134 HB2 ALA 18 HB2 ALA 18 -0.539 3.496 5.786 135 HB3 ALA 18 HB3 ALA 18 -0.334 2.259 7.026 136 H ALA 19 HN ALA 19 1.839 2.160 8.056 137 HA ALA 19 HA ALA 19 2.700 4.849 8.455 138 HB1 ALA 19 HB1 ALA 19 3.282 4.138 10.697 139 HB2 ALA 19 HB2 ALA 19 3.144 2.445 10.227 140 HB3 ALA 19 HB3 ALA 19 1.712 3.474 10.249 141 H GLN 20 HN GLN 20 4.205 1.946 7.420 142 HA GLN 20 HA GLN 20 6.865 2.385 8.184 143 HB2 GLN 20 HB2 GLN 20 5.940 0.267 7.265 144 HB3 GLN 20 HB1 GLN 20 5.868 1.025 5.682 145 HG2 GLN 20 HG2 GLN 20 8.290 1.260 5.668 146 HG3 GLN 20 HG1 GLN 20 8.377 0.530 7.273 147 HE21 GLN 20 HE21 GLN 20 6.135 -0.505 4.816 148 HE22 GLN 20 HE22 GLN 20 6.855 -2.047 4.521 149 H TYR 21 HN TYR 21 5.172 3.340 5.176 150 HA TYR 21 HA TYR 21 7.488 5.045 4.584 151 HB2 TYR 21 HB2 TYR 21 6.247 5.216 2.265 152 HB3 TYR 21 HB1 TYR 21 7.295 3.860 2.648 153 HD1 TYR 21 HD2 TYR 21 3.678 4.789 3.031 154 HD2 TYR 21 HD1 TYR 21 6.541 1.800 2.073 155 HE1 TYR 21 HE2 TYR 21 1.858 3.226 2.484 156 HE2 TYR 21 HE1 TYR 21 4.736 0.233 1.518 157 HH TYR 21 HH TYR 21 2.355 -0.100 2.065 158 H GLY 22 HN GLY 22 4.881 5.438 6.261 159 HA2 GLY 22 HA2 GLY 22 4.024 7.408 7.079 160 HA3 GLY 22 HA1 GLY 22 5.041 8.268 5.937 161 H VAL 23 HN VAL 23 2.401 5.933 5.410 162 HA VAL 23 HA VAL 23 0.793 8.138 4.315 163 HB VAL 23 HB VAL 23 1.909 6.412 2.612 164 HG11 VAL 23 HG11 VAL 23 1.024 4.406 3.600 165 HG12 VAL 23 HG12 VAL 23 0.340 4.634 1.991 166 HG13 VAL 23 HG13 VAL 23 -0.624 5.008 3.419 167 HG21 VAL 23 HG21 VAL 23 0.553 8.305 1.978 168 HG22 VAL 23 HG22 VAL 23 -0.914 7.410 2.378 169 HG23 VAL 23 HG23 VAL 23 0.105 6.879 1.039 170 H SER 24 HN SER 24 -1.632 7.132 4.062 171 HA SER 24 HA SER 24 -2.099 5.847 6.667 172 HB2 SER 24 HB2 SER 24 -3.926 7.709 5.135 173 HB3 SER 24 HB1 SER 24 -4.282 6.975 6.701 174 HG SER 24 HG SER 24 -2.347 8.049 7.478 175 H VAL 25 HN VAL 25 -3.771 4.335 6.880 176 HA VAL 25 HA VAL 25 -3.915 2.395 4.876 177 HB VAL 25 HB VAL 25 -5.888 2.829 7.128 178 HG11 VAL 25 HG11 VAL 25 -5.149 0.321 5.625 179 HG12 VAL 25 HG12 VAL 25 -6.661 1.218 5.467 180 HG13 VAL 25 HG13 VAL 25 -6.261 0.422 6.992 181 HG21 VAL 25 HG21 VAL 25 -3.293 1.296 7.103 182 HG22 VAL 25 HG22 VAL 25 -4.471 1.288 8.417 183 HG23 VAL 25 HG23 VAL 25 -3.625 2.779 7.997 184 H ALA 26 HN ALA 26 -6.119 5.031 5.686 185 HA ALA 26 HA ALA 26 -8.289 4.289 4.099 186 HB1 ALA 26 HB1 ALA 26 -9.024 6.584 4.282 187 HB2 ALA 26 HB2 ALA 26 -7.406 7.094 4.762 188 HB3 ALA 26 HB3 ALA 26 -8.350 6.046 5.820 189 H ASN 27 HN ASN 27 -5.485 6.335 3.230 190 HA ASN 27 HA ASN 27 -6.577 6.906 0.665 191 HB2 ASN 27 HB2 ASN 27 -4.026 7.604 0.251 192 HB3 ASN 27 HB1 ASN 27 -5.192 8.634 1.070 193 HD21 ASN 27 HD21 ASN 27 -4.903 9.120 3.168 194 HD22 ASN 27 HD22 ASN 27 -3.507 8.643 4.079 195 H LEU 28 HN LEU 28 -4.093 4.539 1.730 196 HA LEU 28 HA LEU 28 -3.636 3.857 -0.986 197 HB2 LEU 28 HB2 LEU 28 -2.515 1.784 -0.138 198 HB3 LEU 28 HB1 LEU 28 -1.822 3.318 0.320 199 HG LEU 28 HG LEU 28 -3.043 2.981 2.559 200 HD11 LEU 28 HD11 LEU 28 -3.050 0.132 1.555 201 HD12 LEU 28 HD12 LEU 28 -4.487 1.127 1.780 202 HD13 LEU 28 HD13 LEU 28 -3.501 0.682 3.168 203 HD21 LEU 28 HD21 LEU 28 -1.127 1.893 3.411 204 HD22 LEU 28 HD22 LEU 28 -0.577 2.766 1.970 205 HD23 LEU 28 HD23 LEU 28 -0.858 1.025 1.898 206 H ARG 29 HN ARG 29 -5.934 2.645 1.375 207 HA ARG 29 HA ARG 29 -6.891 0.512 -0.213 208 HB2 ARG 29 HB2 ARG 29 -8.321 2.274 1.785 209 HB3 ARG 29 HB1 ARG 29 -9.043 0.853 1.047 210 HG2 ARG 29 HG2 ARG 29 -7.497 -0.593 2.112 211 HG3 ARG 29 HG1 ARG 29 -6.495 0.761 2.638 212 HD2 ARG 29 HD2 ARG 29 -7.780 -0.019 4.511 213 HD3 ARG 29 HD1 ARG 29 -8.383 1.563 4.022 214 HE ARG 29 HE ARG 29 -9.736 -1.015 3.567 215 HH11 ARG 29 HH11 ARG 29 -9.831 2.477 3.778 216 HH12 ARG 29 HH12 ARG 29 -11.553 2.578 3.549 217 HH21 ARG 29 HH21 ARG 29 -12.006 -0.893 3.320 218 HH22 ARG 29 HH22 ARG 29 -12.793 0.656 3.298 219 H SER 30 HN SER 30 -7.384 3.965 -0.308 220 HA SER 30 HA SER 30 -9.751 3.970 -1.854 221 HB2 SER 30 HB2 SER 30 -9.068 5.849 -0.432 222 HB3 SER 30 HB1 SER 30 -7.675 6.136 -1.470 223 HG SER 30 HG SER 30 -10.239 6.106 -2.621 224 H TRP 31 HN TRP 31 -6.308 4.368 -2.809 225 HA TRP 31 HA TRP 31 -7.182 4.538 -5.582 226 HB2 TRP 31 HB2 TRP 31 -4.660 4.758 -6.049 227 HB3 TRP 31 HB1 TRP 31 -5.480 6.098 -5.244 228 HD1 TRP 31 HD1 TRP 31 -3.835 2.883 -3.821 229 HE1 TRP 31 HE1 TRP 31 -2.186 3.592 -1.985 230 HE3 TRP 31 HE3 TRP 31 -4.391 7.953 -4.131 231 HZ2 TRP 31 HZ2 TRP 31 -1.257 5.970 -0.806 232 HZ3 TRP 31 HZ3 TRP 31 -3.067 9.369 -2.613 233 HH2 TRP 31 HH2 TRP 31 -1.546 8.397 -0.985 234 H ASN 32 HN ASN 32 -6.516 2.051 -3.516 235 HA ASN 32 HA ASN 32 -5.488 0.333 -5.650 236 HB2 ASN 32 HB2 ASN 32 -5.775 0.025 -2.691 237 HB3 ASN 32 HB1 ASN 32 -5.827 -1.431 -3.681 238 HD21 ASN 32 HD21 ASN 32 -3.883 1.168 -2.509 239 HD22 ASN 32 HD22 ASN 32 -2.358 0.556 -3.050 240 H GLY 33 HN GLY 33 -8.399 1.198 -4.037 241 HA2 GLY 33 HA2 GLY 33 -10.573 0.818 -4.698 242 HA3 GLY 33 HA1 GLY 33 -9.946 -0.086 -6.066 243 H ILE 34 HN ILE 34 -8.779 -1.121 -3.045 244 HA ILE 34 HA ILE 34 -10.737 -3.318 -3.018 245 HB ILE 34 HB ILE 34 -8.510 -4.437 -1.895 246 HG12 ILE 34 HG12 ILE 34 -7.577 -2.985 -4.375 247 HG13 ILE 34 HG11 ILE 34 -7.152 -2.513 -2.733 248 HG21 ILE 34 HG21 ILE 34 -9.499 -4.635 -4.725 249 HG22 ILE 34 HG22 ILE 34 -10.063 -5.554 -3.329 250 HG23 ILE 34 HG23 ILE 34 -8.426 -5.796 -3.939 251 HD11 ILE 34 HD11 ILE 34 -6.457 -5.115 -4.075 252 HD12 ILE 34 HD12 ILE 34 -6.063 -4.685 -2.410 253 HD13 ILE 34 HD13 ILE 34 -5.361 -3.771 -3.746 254 H SER 35 HN SER 35 -10.967 -4.416 -1.011 255 HA SER 35 HA SER 35 -10.753 -2.716 1.295 256 HB2 SER 35 HB2 SER 35 -12.643 -4.337 0.861 257 HB3 SER 35 HB1 SER 35 -11.504 -5.646 1.160 258 HG SER 35 HG SER 35 -11.719 -5.330 3.215 259 H GLY 36 HN GLY 36 -9.333 -3.019 3.013 260 HA2 GLY 36 HA2 GLY 36 -6.774 -4.097 2.260 261 HA3 GLY 36 HA1 GLY 36 -7.156 -3.262 3.757 262 H ASP 37 HN ASP 37 -8.398 -6.238 2.270 263 HA ASP 37 HA ASP 37 -7.878 -7.633 4.801 264 HB2 ASP 37 HB2 ASP 37 -9.581 -8.444 2.429 265 HB3 ASP 37 HB1 ASP 37 -9.372 -9.395 3.896 266 H LEU 38 HN LEU 38 -7.348 -7.807 1.328 267 HA LEU 38 HA LEU 38 -5.500 -10.031 1.694 268 HB2 LEU 38 HB2 LEU 38 -5.485 -10.198 -0.760 269 HB3 LEU 38 HB1 LEU 38 -7.095 -10.340 -0.087 270 HG LEU 38 HG LEU 38 -6.107 -7.726 -1.204 271 HD11 LEU 38 HD11 LEU 38 -5.804 -9.428 -2.940 272 HD12 LEU 38 HD12 LEU 38 -7.117 -8.319 -3.338 273 HD13 LEU 38 HD13 LEU 38 -7.482 -9.935 -2.731 274 HD21 LEU 38 HD21 LEU 38 -8.509 -7.348 -1.570 275 HD22 LEU 38 HD22 LEU 38 -8.140 -7.641 0.131 276 HD23 LEU 38 HD23 LEU 38 -8.857 -8.921 -0.849 277 H ILE 39 HN ILE 39 -3.706 -9.116 2.568 278 HA ILE 39 HA ILE 39 -2.064 -7.704 0.609 279 HB ILE 39 HB ILE 39 -2.384 -6.849 3.490 280 HG12 ILE 39 HG12 ILE 39 -2.823 -5.554 0.814 281 HG13 ILE 39 HG11 ILE 39 -3.908 -5.630 2.198 282 HG21 ILE 39 HG21 ILE 39 -0.489 -5.351 3.199 283 HG22 ILE 39 HG22 ILE 39 -0.212 -6.003 1.581 284 HG23 ILE 39 HG23 ILE 39 0.004 -7.037 2.998 285 HD11 ILE 39 HD11 ILE 39 -1.446 -3.926 1.899 286 HD12 ILE 39 HD12 ILE 39 -2.360 -4.087 3.401 287 HD13 ILE 39 HD13 ILE 39 -3.124 -3.381 1.972 288 H PHE 40 HN PHE 40 -0.352 -8.942 0.220 289 HA PHE 40 HA PHE 40 0.920 -10.389 2.408 290 HB2 PHE 40 HB2 PHE 40 0.951 -12.499 1.098 291 HB3 PHE 40 HB1 PHE 40 -0.670 -12.010 1.571 292 HD1 PHE 40 HD2 PHE 40 1.659 -12.399 -1.229 293 HD2 PHE 40 HD1 PHE 40 -2.301 -11.350 -0.069 294 HE1 PHE 40 HE2 PHE 40 0.930 -12.565 -3.573 295 HE2 PHE 40 HE1 PHE 40 -3.035 -11.519 -2.408 296 HZ PHE 40 HZ PHE 40 -1.421 -12.126 -4.164 297 H VAL 41 HN VAL 41 2.962 -11.490 1.623 298 HA VAL 41 HA VAL 41 4.658 -9.527 0.565 299 HB VAL 41 HB VAL 41 5.201 -12.496 0.762 300 HG11 VAL 41 HG11 VAL 41 6.837 -11.350 -0.609 301 HG12 VAL 41 HG12 VAL 41 7.556 -11.812 0.934 302 HG13 VAL 41 HG13 VAL 41 7.078 -10.139 0.649 303 HG21 VAL 41 HG21 VAL 41 5.621 -10.303 2.793 304 HG22 VAL 41 HG22 VAL 41 6.183 -11.967 2.957 305 HG23 VAL 41 HG23 VAL 41 4.455 -11.621 2.902 306 H GLY 42 HN GLY 42 5.246 -9.000 -1.446 307 HA2 GLY 42 HA2 GLY 42 5.851 -9.514 -3.694 308 HA3 GLY 42 HA1 GLY 42 4.827 -10.940 -3.616 309 H GLN 43 HN GLN 43 2.839 -8.987 -2.250 310 HA GLN 43 HA GLN 43 1.325 -8.484 -4.626 311 HB2 GLN 43 HB2 GLN 43 0.146 -9.135 -2.663 312 HB3 GLN 43 HB1 GLN 43 0.904 -7.872 -1.708 313 HG2 GLN 43 HG2 GLN 43 -0.343 -6.177 -2.928 314 HG3 GLN 43 HG1 GLN 43 -1.083 -7.430 -3.930 315 HE21 GLN 43 HE21 GLN 43 -2.311 -5.489 -2.111 316 HE22 GLN 43 HE22 GLN 43 -3.218 -6.425 -0.970 317 H LYS 44 HN LYS 44 1.246 -6.677 -5.822 318 HA LYS 44 HA LYS 44 2.683 -4.308 -4.885 319 HB2 LYS 44 HB2 LYS 44 1.525 -5.083 -7.556 320 HB3 LYS 44 HB1 LYS 44 2.072 -3.446 -7.224 321 HG2 LYS 44 HG2 LYS 44 4.308 -4.329 -6.719 322 HG3 LYS 44 HG1 LYS 44 3.745 -5.947 -7.157 323 HD2 LYS 44 HD2 LYS 44 3.103 -4.983 -9.397 324 HD3 LYS 44 HD1 LYS 44 3.963 -3.517 -8.922 325 HE2 LYS 44 HE2 LYS 44 6.019 -4.815 -8.648 326 HE3 LYS 44 HE1 LYS 44 5.160 -6.284 -9.111 327 HZ1 LYS 44 HZ1 LYS 44 6.063 -5.692 -11.098 328 HZ2 LYS 44 HZ2 LYS 44 6.026 -4.035 -10.773 329 HZ3 LYS 44 HZ3 LYS 44 4.600 -4.841 -11.212 330 H LEU 45 HN LEU 45 1.500 -3.095 -3.551 331 HA LEU 45 HA LEU 45 -1.224 -2.432 -4.428 332 HB2 LEU 45 HB2 LEU 45 -1.809 -1.956 -2.176 333 HB3 LEU 45 HB1 LEU 45 -0.963 -3.491 -2.158 334 HG LEU 45 HG LEU 45 1.110 -2.049 -1.503 335 HD11 LEU 45 HD11 LEU 45 0.467 -0.121 -0.090 336 HD12 LEU 45 HD12 LEU 45 -1.185 -0.259 -0.702 337 HD13 LEU 45 HD13 LEU 45 0.133 0.146 -1.804 338 HD21 LEU 45 HD21 LEU 45 0.035 -3.750 -0.136 339 HD22 LEU 45 HD22 LEU 45 -1.169 -2.570 0.391 340 HD23 LEU 45 HD23 LEU 45 0.528 -2.358 0.829 341 H ILE 46 HN ILE 46 -1.764 -0.315 -4.788 342 HA ILE 46 HA ILE 46 0.347 1.405 -5.562 343 HB ILE 46 HB ILE 46 -2.591 2.055 -5.188 344 HG12 ILE 46 HG12 ILE 46 -2.636 2.109 -7.670 345 HG13 ILE 46 HG11 ILE 46 -0.974 1.525 -7.695 346 HG21 ILE 46 HG21 ILE 46 -0.498 3.711 -6.599 347 HG22 ILE 46 HG22 ILE 46 -1.119 4.046 -4.978 348 HG23 ILE 46 HG23 ILE 46 -2.201 4.113 -6.371 349 HD11 ILE 46 HD11 ILE 46 -3.348 0.036 -6.594 350 HD12 ILE 46 HD12 ILE 46 -1.687 -0.558 -6.658 351 HD13 ILE 46 HD13 ILE 46 -2.573 -0.249 -8.154 352 H VAL 47 HN VAL 47 1.286 3.078 -4.582 353 HA VAL 47 HA VAL 47 0.079 4.324 -2.278 354 HB VAL 47 HB VAL 47 1.484 2.584 -1.252 355 HG11 VAL 47 HG11 VAL 47 3.918 2.656 -1.448 356 HG12 VAL 47 HG12 VAL 47 3.786 3.932 -2.659 357 HG13 VAL 47 HG13 VAL 47 3.154 2.321 -3.003 358 HG21 VAL 47 HG21 VAL 47 2.470 5.410 -0.915 359 HG22 VAL 47 HG22 VAL 47 2.846 4.085 0.183 360 HG23 VAL 47 HG23 VAL 47 1.175 4.609 -0.022 361 H LYS 48 HN LYS 48 0.281 6.441 -2.555 362 HA LYS 48 HA LYS 48 2.719 7.555 -3.657 363 HB2 LYS 48 HB2 LYS 48 1.619 8.909 -5.337 364 HB3 LYS 48 HB1 LYS 48 1.313 7.202 -5.630 365 HG2 LYS 48 HG2 LYS 48 -0.908 7.382 -4.773 366 HG3 LYS 48 HG1 LYS 48 -0.615 9.037 -4.231 367 HD2 LYS 48 HD2 LYS 48 -0.260 9.701 -6.587 368 HD3 LYS 48 HD1 LYS 48 -0.666 8.055 -7.081 369 HE2 LYS 48 HE2 LYS 48 -2.883 8.294 -6.109 370 HE3 LYS 48 HE1 LYS 48 -2.481 9.921 -5.562 371 HZ1 LYS 48 HZ1 LYS 48 -2.122 10.503 -7.939 372 HZ2 LYS 48 HZ2 LYS 48 -3.724 10.110 -7.551 373 HZ3 LYS 48 HZ3 LYS 48 -2.754 8.983 -8.363 374 H LYS 49 HN LYS 49 3.047 9.775 -3.276 375 HA LYS 49 HA LYS 49 1.173 10.962 -1.335 376 HB2 LYS 49 HB2 LYS 49 4.147 11.294 -1.676 377 HB3 LYS 49 HB1 LYS 49 3.190 12.509 -0.843 378 HG2 LYS 49 HG2 LYS 49 4.059 11.146 0.846 379 HG3 LYS 49 HG1 LYS 49 2.386 10.625 0.660 380 HD2 LYS 49 HD2 LYS 49 3.132 8.741 -0.721 381 HD3 LYS 49 HD1 LYS 49 4.806 9.262 -0.519 382 HE2 LYS 49 HE2 LYS 49 2.918 8.319 1.630 383 HE3 LYS 49 HE1 LYS 49 4.346 7.479 1.026 384 HZ1 LYS 49 HZ1 LYS 49 4.930 8.501 3.059 385 HZ2 LYS 49 HZ2 LYS 49 4.258 9.988 2.602 386 HZ3 LYS 49 HZ3 LYS 49 5.665 9.421 1.836 387 H GLY 50 HN GLY 50 0.158 12.793 -1.869 388 HA2 GLY 50 HA2 GLY 50 0.655 15.011 -3.075 389 HA3 GLY 50 HA1 GLY 50 0.842 13.971 -4.482 390 H SER 51 HN SER 51 -0.886 13.659 -5.694 391 HA SER 51 HA SER 51 -3.542 13.918 -4.489 392 HB2 SER 51 HB2 SER 51 -2.858 16.088 -5.579 393 HB3 SER 51 HB1 SER 51 -2.787 15.227 -7.115 394 HG SER 51 HG SER 51 -4.893 15.242 -7.227 Start of MODEL 7 1 H GLY 1 HT1 GLY 1 0.433 14.290 -11.206 2 HA2 GLY 1 HA1 GLY 1 3.234 14.189 -10.245 3 HA3 GLY 1 HA2 GLY 1 1.805 13.825 -9.288 4 H THR 2 HN THR 2 3.487 11.863 -9.227 5 HA THR 2 HA THR 2 2.420 9.894 -11.141 6 HB THR 2 HB THR 2 5.265 9.856 -10.115 7 HG1 THR 2 HG1 THR 2 4.232 10.871 -12.585 8 HG21 THR 2 HG21 THR 2 3.898 8.391 -12.377 9 HG22 THR 2 HG22 THR 2 4.362 7.697 -10.824 10 HG23 THR 2 HG23 THR 2 5.603 8.256 -11.946 11 H ASN 3 HN ASN 3 1.461 8.242 -10.127 12 HA ASN 3 HA ASN 3 1.646 7.921 -7.281 13 HB2 ASN 3 HB2 ASN 3 0.372 6.153 -9.383 14 HB3 ASN 3 HB1 ASN 3 0.226 5.905 -7.647 15 HD21 ASN 3 HD21 ASN 3 -1.851 6.350 -9.598 16 HD22 ASN 3 HD22 ASN 3 -2.689 7.779 -9.100 17 H THR 4 HN THR 4 2.547 6.141 -6.150 18 HA THR 4 HA THR 4 4.636 4.741 -7.669 19 HB THR 4 HB THR 4 4.433 5.525 -4.751 20 HG1 THR 4 HG1 THR 4 5.610 6.597 -6.991 21 HG21 THR 4 HG21 THR 4 5.531 3.335 -4.907 22 HG22 THR 4 HG22 THR 4 6.693 4.586 -4.464 23 HG23 THR 4 HG23 THR 4 6.649 3.974 -6.117 24 H TYR 5 HN TYR 5 4.906 2.456 -7.176 25 HA TYR 5 HA TYR 5 2.734 1.343 -5.557 26 HB2 TYR 5 HB2 TYR 5 3.031 -0.694 -7.291 27 HB3 TYR 5 HB1 TYR 5 1.846 0.589 -7.503 28 HD1 TYR 5 HD1 TYR 5 5.160 -0.640 -8.612 29 HD2 TYR 5 HD2 TYR 5 1.984 2.106 -9.301 30 HE1 TYR 5 HE1 TYR 5 6.122 -0.082 -10.810 31 HE2 TYR 5 HE2 TYR 5 2.933 2.669 -11.490 32 HH TYR 5 HH TYR 5 5.064 2.625 -12.630 33 H TYR 6 HN TYR 6 3.221 -0.396 -4.317 34 HA TYR 6 HA TYR 6 6.103 -0.968 -4.045 35 HB2 TYR 6 HB2 TYR 6 5.561 0.500 -2.278 36 HB3 TYR 6 HB1 TYR 6 3.993 -0.241 -2.023 37 HD1 TYR 6 HD2 TYR 6 7.648 -0.908 -1.636 38 HD2 TYR 6 HD1 TYR 6 3.697 -1.761 -0.311 39 HE1 TYR 6 HE2 TYR 6 8.559 -2.182 0.261 40 HE2 TYR 6 HE1 TYR 6 4.587 -3.028 1.593 41 HH TYR 6 HH TYR 6 7.702 -2.797 2.640 42 H THR 7 HN THR 7 6.669 -3.101 -3.707 43 HA THR 7 HA THR 7 4.518 -5.053 -3.772 44 HB THR 7 HB THR 7 6.643 -6.630 -3.458 45 HG1 THR 7 HG1 THR 7 7.681 -4.218 -4.570 46 HG21 THR 7 HG21 THR 7 5.109 -6.753 -5.296 47 HG22 THR 7 HG22 THR 7 6.760 -6.769 -5.920 48 HG23 THR 7 HG23 THR 7 5.792 -5.296 -6.020 49 H VAL 8 HN VAL 8 3.622 -5.823 -2.040 50 HA VAL 8 HA VAL 8 4.307 -5.047 0.558 51 HB VAL 8 HB VAL 8 2.742 -7.501 -0.261 52 HG11 VAL 8 HG11 VAL 8 1.714 -7.277 1.964 53 HG12 VAL 8 HG12 VAL 8 2.845 -5.973 2.334 54 HG13 VAL 8 HG13 VAL 8 3.445 -7.609 2.049 55 HG21 VAL 8 HG21 VAL 8 1.820 -4.680 0.308 56 HG22 VAL 8 HG22 VAL 8 0.756 -6.065 0.083 57 HG23 VAL 8 HG23 VAL 8 1.765 -5.507 -1.251 58 H LYS 9 HN LYS 9 5.772 -5.730 1.931 59 HA LYS 9 HA LYS 9 7.048 -8.352 1.569 60 HB2 LYS 9 HB2 LYS 9 8.446 -5.751 2.254 61 HB3 LYS 9 HB1 LYS 9 9.208 -7.335 2.186 62 HG2 LYS 9 HG2 LYS 9 7.890 -5.992 -0.164 63 HG3 LYS 9 HG1 LYS 9 9.616 -5.913 0.192 64 HD2 LYS 9 HD2 LYS 9 9.893 -8.231 -0.156 65 HD3 LYS 9 HD1 LYS 9 8.150 -8.519 -0.135 66 HE2 LYS 9 HE2 LYS 9 7.861 -7.463 -2.240 67 HE3 LYS 9 HE1 LYS 9 9.497 -6.798 -2.210 68 HZ1 LYS 9 HZ1 LYS 9 8.807 -9.685 -2.411 69 HZ2 LYS 9 HZ2 LYS 9 10.373 -9.040 -2.379 70 HZ3 LYS 9 HZ3 LYS 9 9.350 -8.707 -3.684 71 H SER 10 HN SER 10 8.514 -8.614 3.757 72 HA SER 10 HA SER 10 6.894 -9.109 5.877 73 HB2 SER 10 HB2 SER 10 9.752 -8.123 6.065 74 HB3 SER 10 HB1 SER 10 8.888 -9.048 7.296 75 HG SER 10 HG SER 10 8.601 -10.642 5.481 76 H GLY 11 HN GLY 11 5.908 -7.981 7.475 77 HA2 GLY 11 HA2 GLY 11 5.168 -5.919 8.466 78 HA3 GLY 11 HA1 GLY 11 5.971 -5.047 7.155 79 H ASP 12 HN ASP 12 4.133 -7.926 6.796 80 HA ASP 12 HA ASP 12 2.932 -7.140 4.418 81 HB2 ASP 12 HB2 ASP 12 1.679 -9.257 4.563 82 HB3 ASP 12 HB1 ASP 12 3.405 -9.448 4.849 83 H THR 13 HN THR 13 1.986 -5.856 7.240 84 HA THR 13 HA THR 13 -0.878 -6.154 6.597 85 HB THR 13 HB THR 13 0.207 -5.423 9.323 86 HG1 THR 13 HG1 THR 13 -0.067 -7.920 8.062 87 HG21 THR 13 HG21 THR 13 -1.997 -6.218 10.076 88 HG22 THR 13 HG22 THR 13 -2.441 -6.562 8.404 89 HG23 THR 13 HG23 THR 13 -2.152 -4.900 8.915 90 H LEU 14 HN LEU 14 -2.194 -4.334 6.766 91 HA LEU 14 HA LEU 14 -1.169 -2.269 5.252 92 HB2 LEU 14 HB2 LEU 14 -3.684 -2.432 6.896 93 HB3 LEU 14 HB1 LEU 14 -3.314 -1.053 5.882 94 HG LEU 14 HG LEU 14 -3.331 -2.488 3.898 95 HD11 LEU 14 HD11 LEU 14 -4.234 -4.802 4.113 96 HD12 LEU 14 HD12 LEU 14 -3.989 -4.677 5.857 97 HD13 LEU 14 HD13 LEU 14 -2.603 -4.579 4.759 98 HD21 LEU 14 HD21 LEU 14 -5.386 -1.388 4.549 99 HD22 LEU 14 HD22 LEU 14 -5.788 -2.727 5.624 100 HD23 LEU 14 HD23 LEU 14 -5.738 -2.983 3.880 101 H ASN 15 HN ASN 15 -1.895 -2.267 8.721 102 HA ASN 15 HA ASN 15 -1.343 0.452 9.129 103 HB2 ASN 15 HB2 ASN 15 -1.181 -0.106 11.513 104 HB3 ASN 15 HB1 ASN 15 -2.573 -0.880 10.772 105 HD21 ASN 15 HD21 ASN 15 -1.001 -1.517 13.189 106 HD22 ASN 15 HD22 ASN 15 -0.505 -3.163 12.989 107 H LYS 16 HN LYS 16 0.746 -2.374 9.005 108 HA LYS 16 HA LYS 16 2.974 -1.041 10.240 109 HB2 LYS 16 HB2 LYS 16 2.837 -3.618 8.669 110 HB3 LYS 16 HB1 LYS 16 4.260 -3.039 9.528 111 HG2 LYS 16 HG2 LYS 16 3.005 -3.132 11.639 112 HG3 LYS 16 HG1 LYS 16 1.607 -3.761 10.762 113 HD2 LYS 16 HD2 LYS 16 2.942 -5.691 10.046 114 HD3 LYS 16 HD1 LYS 16 4.319 -5.068 10.957 115 HE2 LYS 16 HE2 LYS 16 1.644 -5.793 12.150 116 HE3 LYS 16 HE1 LYS 16 3.057 -6.847 12.148 117 HZ1 LYS 16 HZ1 LYS 16 2.880 -5.712 14.246 118 HZ2 LYS 16 HZ2 LYS 16 2.834 -4.197 13.484 119 HZ3 LYS 16 HZ3 LYS 16 4.249 -5.137 13.424 120 H ILE 17 HN ILE 17 2.110 -1.949 6.915 121 HA ILE 17 HA ILE 17 4.494 -0.812 5.834 122 HB ILE 17 HB ILE 17 3.119 -0.986 3.620 123 HG12 ILE 17 HG12 ILE 17 1.545 -2.826 5.424 124 HG13 ILE 17 HG11 ILE 17 0.931 -1.350 4.685 125 HG21 ILE 17 HG21 ILE 17 3.784 -3.324 3.425 126 HG22 ILE 17 HG22 ILE 17 4.034 -3.385 5.170 127 HG23 ILE 17 HG23 ILE 17 5.038 -2.334 4.171 128 HD11 ILE 17 HD11 ILE 17 0.264 -3.479 3.555 129 HD12 ILE 17 HD12 ILE 17 1.969 -3.687 3.096 130 HD13 ILE 17 HD13 ILE 17 1.059 -2.292 2.513 131 H ALA 18 HN ALA 18 1.140 0.312 6.080 132 HA ALA 18 HA ALA 18 1.381 2.633 4.539 133 HB1 ALA 18 HB1 ALA 18 -0.322 2.238 6.991 134 HB2 ALA 18 HB2 ALA 18 -0.759 1.736 5.355 135 HB3 ALA 18 HB3 ALA 18 -0.565 3.450 5.733 136 H ALA 19 HN ALA 19 1.829 2.180 8.039 137 HA ALA 19 HA ALA 19 2.575 4.901 8.472 138 HB1 ALA 19 HB1 ALA 19 1.569 3.553 10.240 139 HB2 ALA 19 HB2 ALA 19 3.143 4.181 10.731 140 HB3 ALA 19 HB3 ALA 19 2.979 2.495 10.241 141 H GLN 20 HN GLN 20 4.223 2.074 7.435 142 HA GLN 20 HA GLN 20 6.831 2.689 8.329 143 HB2 GLN 20 HB2 GLN 20 6.094 0.467 7.480 144 HB3 GLN 20 HB1 GLN 20 6.061 1.138 5.855 145 HG2 GLN 20 HG2 GLN 20 8.462 1.590 5.998 146 HG3 GLN 20 HG1 GLN 20 8.487 0.904 7.622 147 HE21 GLN 20 HE21 GLN 20 8.256 -1.308 7.895 148 HE22 GLN 20 HE22 GLN 20 8.456 -2.420 6.582 149 H TYR 21 HN TYR 21 5.228 3.355 5.192 150 HA TYR 21 HA TYR 21 7.452 5.146 4.573 151 HB2 TYR 21 HB2 TYR 21 6.039 5.370 2.339 152 HB3 TYR 21 HB1 TYR 21 7.152 4.041 2.613 153 HD1 TYR 21 HD2 TYR 21 3.546 4.822 3.308 154 HD2 TYR 21 HD1 TYR 21 6.421 1.978 1.988 155 HE1 TYR 21 HE2 TYR 21 1.742 3.216 2.844 156 HE2 TYR 21 HE1 TYR 21 4.628 0.372 1.513 157 HH TYR 21 HH TYR 21 1.353 1.242 1.427 158 H GLY 22 HN GLY 22 4.589 5.367 6.134 159 HA2 GLY 22 HA2 GLY 22 3.781 7.278 7.153 160 HA3 GLY 22 HA1 GLY 22 4.884 8.227 6.174 161 H VAL 23 HN VAL 23 2.245 6.033 5.218 162 HA VAL 23 HA VAL 23 0.778 8.394 4.244 163 HB VAL 23 HB VAL 23 1.841 6.769 2.459 164 HG11 VAL 23 HG11 VAL 23 0.954 4.698 3.335 165 HG12 VAL 23 HG12 VAL 23 0.304 5.014 1.725 166 HG13 VAL 23 HG13 VAL 23 -0.693 5.303 3.151 167 HG21 VAL 23 HG21 VAL 23 -0.985 7.752 2.270 168 HG22 VAL 23 HG22 VAL 23 0.045 7.305 0.910 169 HG23 VAL 23 HG23 VAL 23 0.473 8.681 1.929 170 H SER 24 HN SER 24 -1.656 7.843 4.040 171 HA SER 24 HA SER 24 -2.336 6.573 6.572 172 HB2 SER 24 HB2 SER 24 -4.206 8.080 4.752 173 HB3 SER 24 HB1 SER 24 -4.383 7.773 6.481 174 HG SER 24 HG SER 24 -2.141 9.003 6.364 175 H VAL 25 HN VAL 25 -3.784 4.932 6.820 176 HA VAL 25 HA VAL 25 -3.858 2.875 4.963 177 HB VAL 25 HB VAL 25 -5.887 3.353 7.150 178 HG11 VAL 25 HG11 VAL 25 -6.545 1.575 5.647 179 HG12 VAL 25 HG12 VAL 25 -6.034 0.893 7.191 180 HG13 VAL 25 HG13 VAL 25 -4.956 0.825 5.797 181 HG21 VAL 25 HG21 VAL 25 -3.617 3.527 8.027 182 HG22 VAL 25 HG22 VAL 25 -3.210 1.973 7.295 183 HG23 VAL 25 HG23 VAL 25 -4.403 2.053 8.593 184 H ALA 26 HN ALA 26 -6.098 5.537 5.414 185 HA ALA 26 HA ALA 26 -8.243 4.479 3.936 186 HB1 ALA 26 HB1 ALA 26 -9.082 6.764 3.846 187 HB2 ALA 26 HB2 ALA 26 -7.518 7.365 4.400 188 HB3 ALA 26 HB3 ALA 26 -8.504 6.358 5.461 189 H ASN 27 HN ASN 27 -5.560 6.625 2.910 190 HA ASN 27 HA ASN 27 -6.621 6.887 0.272 191 HB2 ASN 27 HB2 ASN 27 -4.095 7.700 -0.124 192 HB3 ASN 27 HB1 ASN 27 -5.339 8.729 0.573 193 HD21 ASN 27 HD21 ASN 27 -5.174 9.347 2.670 194 HD22 ASN 27 HD22 ASN 27 -3.786 9.025 3.647 195 H LEU 28 HN LEU 28 -3.942 4.919 1.598 196 HA LEU 28 HA LEU 28 -3.262 4.010 -0.989 197 HB2 LEU 28 HB2 LEU 28 -1.688 2.614 -0.081 198 HB3 LEU 28 HB1 LEU 28 -1.788 3.911 1.088 199 HG LEU 28 HG LEU 28 -3.550 1.694 1.761 200 HD11 LEU 28 HD11 LEU 28 -0.584 1.221 1.473 201 HD12 LEU 28 HD12 LEU 28 -1.880 0.354 0.646 202 HD13 LEU 28 HD13 LEU 28 -1.681 0.184 2.390 203 HD21 LEU 28 HD21 LEU 28 -1.241 3.047 3.146 204 HD22 LEU 28 HD22 LEU 28 -2.382 1.933 3.900 205 HD23 LEU 28 HD23 LEU 28 -2.942 3.491 3.290 206 H ARG 29 HN ARG 29 -5.570 2.848 1.374 207 HA ARG 29 HA ARG 29 -6.264 0.466 0.007 208 HB2 ARG 29 HB2 ARG 29 -7.607 2.218 2.013 209 HB3 ARG 29 HB1 ARG 29 -8.578 1.028 1.161 210 HG2 ARG 29 HG2 ARG 29 -7.213 -0.763 1.992 211 HG3 ARG 29 HG1 ARG 29 -6.082 0.382 2.717 212 HD2 ARG 29 HD2 ARG 29 -7.735 -0.672 4.305 213 HD3 ARG 29 HD1 ARG 29 -7.680 1.094 4.312 214 HE ARG 29 HE ARG 29 -9.651 0.515 2.529 215 HH11 ARG 29 HH11 ARG 29 -9.093 -0.507 5.846 216 HH12 ARG 29 HH12 ARG 29 -10.786 -0.546 6.231 217 HH21 ARG 29 HH21 ARG 29 -11.851 0.497 3.056 218 HH22 ARG 29 HH22 ARG 29 -12.357 0.027 4.656 219 H SER 30 HN SER 30 -7.241 3.829 -0.412 220 HA SER 30 HA SER 30 -9.616 3.276 -1.849 221 HB2 SER 30 HB2 SER 30 -7.968 5.803 -1.706 222 HB3 SER 30 HB1 SER 30 -9.583 5.693 -2.405 223 HG SER 30 HG SER 30 -8.831 5.205 0.292 224 H TRP 31 HN TRP 31 -6.328 4.175 -3.001 225 HA TRP 31 HA TRP 31 -7.317 4.169 -5.717 226 HB2 TRP 31 HB2 TRP 31 -4.834 4.475 -6.310 227 HB3 TRP 31 HB1 TRP 31 -5.664 5.783 -5.473 228 HD1 TRP 31 HD1 TRP 31 -3.976 2.642 -3.969 229 HE1 TRP 31 HE1 TRP 31 -2.237 3.431 -2.254 230 HE3 TRP 31 HE3 TRP 31 -4.401 7.685 -4.648 231 HZ2 TRP 31 HZ2 TRP 31 -1.177 5.864 -1.317 232 HZ3 TRP 31 HZ3 TRP 31 -2.970 9.172 -3.306 233 HH2 TRP 31 HH2 TRP 31 -1.401 8.279 -1.677 234 H ASN 32 HN ASN 32 -6.341 1.733 -3.652 235 HA ASN 32 HA ASN 32 -5.465 0.022 -5.858 236 HB2 ASN 32 HB2 ASN 32 -5.510 -0.321 -2.875 237 HB3 ASN 32 HB1 ASN 32 -5.434 -1.738 -3.916 238 HD21 ASN 32 HD21 ASN 32 -3.752 0.951 -2.628 239 HD22 ASN 32 HD22 ASN 32 -2.201 0.581 -3.308 240 H GLY 33 HN GLY 33 -8.224 0.796 -3.981 241 HA2 GLY 33 HA2 GLY 33 -10.421 0.210 -4.203 242 HA3 GLY 33 HA1 GLY 33 -9.990 -0.412 -5.785 243 H ILE 34 HN ILE 34 -8.904 -1.510 -2.586 244 HA ILE 34 HA ILE 34 -10.049 -4.122 -3.263 245 HB ILE 34 HB ILE 34 -8.457 -4.262 -0.888 246 HG12 ILE 34 HG12 ILE 34 -6.233 -3.965 -2.215 247 HG13 ILE 34 HG11 ILE 34 -7.185 -2.891 -3.238 248 HG21 ILE 34 HG21 ILE 34 -7.328 -6.021 -2.157 249 HG22 ILE 34 HG22 ILE 34 -8.162 -5.489 -3.618 250 HG23 ILE 34 HG23 ILE 34 -9.088 -6.140 -2.260 251 HD11 ILE 34 HD11 ILE 34 -6.766 -2.603 -0.268 252 HD12 ILE 34 HD12 ILE 34 -7.739 -1.534 -1.279 253 HD13 ILE 34 HD13 ILE 34 -5.997 -1.641 -1.532 254 H SER 35 HN SER 35 -11.319 -5.218 -1.853 255 HA SER 35 HA SER 35 -12.525 -3.593 0.264 256 HB2 SER 35 HB2 SER 35 -13.465 -6.120 -1.099 257 HB3 SER 35 HB1 SER 35 -14.375 -5.223 0.123 258 HG SER 35 HG SER 35 -13.449 -3.857 -2.143 259 H GLY 36 HN GLY 36 -11.599 -3.901 2.174 260 HA2 GLY 36 HA2 GLY 36 -11.484 -5.423 4.076 261 HA3 GLY 36 HA1 GLY 36 -10.944 -6.669 2.961 262 H ASP 37 HN ASP 37 -9.203 -6.883 4.540 263 HA ASP 37 HA ASP 37 -7.097 -4.857 4.165 264 HB2 ASP 37 HB2 ASP 37 -6.215 -5.541 6.364 265 HB3 ASP 37 HB1 ASP 37 -7.861 -4.930 6.480 266 H LEU 38 HN LEU 38 -7.621 -7.063 2.401 267 HA LEU 38 HA LEU 38 -5.760 -9.156 2.990 268 HB2 LEU 38 HB2 LEU 38 -6.234 -9.942 0.696 269 HB3 LEU 38 HB1 LEU 38 -7.668 -9.720 1.678 270 HG LEU 38 HG LEU 38 -7.119 -7.331 0.154 271 HD11 LEU 38 HD11 LEU 38 -7.409 -9.897 -1.404 272 HD12 LEU 38 HD12 LEU 38 -6.024 -8.804 -1.423 273 HD13 LEU 38 HD13 LEU 38 -7.574 -8.274 -2.073 274 HD21 LEU 38 HD21 LEU 38 -9.394 -9.311 0.124 275 HD22 LEU 38 HD22 LEU 38 -9.421 -7.694 -0.582 276 HD23 LEU 38 HD23 LEU 38 -9.266 -7.892 1.163 277 H ILE 39 HN ILE 39 -3.725 -8.585 3.159 278 HA ILE 39 HA ILE 39 -2.387 -7.590 0.762 279 HB ILE 39 HB ILE 39 -2.260 -6.315 3.475 280 HG12 ILE 39 HG12 ILE 39 -2.475 -5.334 0.636 281 HG13 ILE 39 HG11 ILE 39 -3.650 -5.169 1.936 282 HG21 ILE 39 HG21 ILE 39 -0.173 -5.213 2.950 283 HG22 ILE 39 HG22 ILE 39 -0.053 -6.124 1.440 284 HG23 ILE 39 HG23 ILE 39 0.045 -6.967 2.988 285 HD11 ILE 39 HD11 ILE 39 -1.981 -3.708 3.118 286 HD12 ILE 39 HD12 ILE 39 -2.654 -3.047 1.620 287 HD13 ILE 39 HD13 ILE 39 -1.030 -3.733 1.629 288 H PHE 40 HN PHE 40 -0.742 -8.892 0.268 289 HA PHE 40 HA PHE 40 0.567 -10.420 2.399 290 HB2 PHE 40 HB2 PHE 40 0.451 -12.472 1.016 291 HB3 PHE 40 HB1 PHE 40 -1.141 -11.902 1.501 292 HD1 PHE 40 HD1 PHE 40 1.168 -12.365 -1.302 293 HD2 PHE 40 HD2 PHE 40 -2.705 -11.035 -0.126 294 HE1 PHE 40 HE1 PHE 40 0.448 -12.385 -3.653 295 HE2 PHE 40 HE2 PHE 40 -3.424 -11.054 -2.477 296 HZ PHE 40 HZ PHE 40 -1.848 -11.730 -4.241 297 H VAL 41 HN VAL 41 2.614 -11.416 1.687 298 HA VAL 41 HA VAL 41 4.255 -9.465 0.474 299 HB VAL 41 HB VAL 41 4.899 -12.383 0.966 300 HG11 VAL 41 HG11 VAL 41 6.485 -11.302 -0.547 301 HG12 VAL 41 HG12 VAL 41 7.230 -11.637 1.016 302 HG13 VAL 41 HG13 VAL 41 6.717 -9.998 0.617 303 HG21 VAL 41 HG21 VAL 41 5.891 -11.588 3.074 304 HG22 VAL 41 HG22 VAL 41 4.151 -11.306 3.008 305 HG23 VAL 41 HG23 VAL 41 5.271 -9.970 2.740 306 H GLY 42 HN GLY 42 4.863 -9.126 -1.587 307 HA2 GLY 42 HA2 GLY 42 5.461 -9.913 -3.777 308 HA3 GLY 42 HA1 GLY 42 4.351 -11.259 -3.558 309 H GLN 43 HN GLN 43 2.408 -9.265 -2.346 310 HA GLN 43 HA GLN 43 0.977 -8.669 -4.739 311 HB2 GLN 43 HB2 GLN 43 -0.256 -9.182 -2.729 312 HB3 GLN 43 HB1 GLN 43 0.530 -7.874 -1.857 313 HG2 GLN 43 HG2 GLN 43 -0.615 -6.226 -3.162 314 HG3 GLN 43 HG1 GLN 43 -1.277 -7.466 -4.228 315 HE21 GLN 43 HE21 GLN 43 -1.485 -5.955 -1.112 316 HE22 GLN 43 HE22 GLN 43 -3.006 -6.647 -0.654 317 H LYS 44 HN LYS 44 1.058 -6.907 -5.959 318 HA LYS 44 HA LYS 44 2.776 -4.705 -5.089 319 HB2 LYS 44 HB2 LYS 44 3.021 -5.833 -7.356 320 HB3 LYS 44 HB1 LYS 44 1.487 -5.096 -7.792 321 HG2 LYS 44 HG2 LYS 44 2.472 -2.873 -7.377 322 HG3 LYS 44 HG1 LYS 44 4.018 -3.650 -7.039 323 HD2 LYS 44 HD2 LYS 44 2.494 -3.706 -9.640 324 HD3 LYS 44 HD1 LYS 44 4.005 -2.856 -9.317 325 HE2 LYS 44 HE2 LYS 44 5.109 -5.017 -8.905 326 HE3 LYS 44 HE1 LYS 44 3.601 -5.847 -9.288 327 HZ1 LYS 44 HZ1 LYS 44 4.977 -5.862 -11.215 328 HZ2 LYS 44 HZ2 LYS 44 5.250 -4.194 -11.115 329 HZ3 LYS 44 HZ3 LYS 44 3.707 -4.772 -11.511 330 H LEU 45 HN LEU 45 1.732 -3.184 -3.952 331 HA LEU 45 HA LEU 45 -0.983 -2.496 -4.837 332 HB2 LEU 45 HB2 LEU 45 -1.719 -2.175 -2.623 333 HB3 LEU 45 HB1 LEU 45 -0.823 -3.675 -2.599 334 HG LEU 45 HG LEU 45 -0.347 -2.593 -0.589 335 HD11 LEU 45 HD11 LEU 45 1.591 -3.572 -1.692 336 HD12 LEU 45 HD12 LEU 45 2.009 -2.239 -0.616 337 HD13 LEU 45 HD13 LEU 45 1.992 -1.989 -2.363 338 HD21 LEU 45 HD21 LEU 45 0.300 -0.083 -2.114 339 HD22 LEU 45 HD22 LEU 45 0.448 -0.307 -0.370 340 HD23 LEU 45 HD23 LEU 45 -1.139 -0.366 -1.136 341 H ILE 46 HN ILE 46 -1.533 -0.380 -5.063 342 HA ILE 46 HA ILE 46 0.551 1.422 -5.722 343 HB ILE 46 HB ILE 46 -2.364 2.067 -5.243 344 HG12 ILE 46 HG12 ILE 46 -2.122 0.370 -6.983 345 HG13 ILE 46 HG11 ILE 46 -2.624 1.910 -7.677 346 HG21 ILE 46 HG21 ILE 46 -1.960 4.040 -6.630 347 HG22 ILE 46 HG22 ILE 46 -0.255 3.606 -6.755 348 HG23 ILE 46 HG23 ILE 46 -0.939 4.049 -5.187 349 HD11 ILE 46 HD11 ILE 46 0.178 0.797 -7.708 350 HD12 ILE 46 HD12 ILE 46 -0.346 2.323 -8.423 351 HD13 ILE 46 HD13 ILE 46 -0.957 0.797 -9.060 352 H VAL 47 HN VAL 47 1.530 2.970 -4.581 353 HA VAL 47 HA VAL 47 0.237 4.062 -2.236 354 HB VAL 47 HB VAL 47 1.611 2.220 -1.341 355 HG11 VAL 47 HG11 VAL 47 3.941 3.757 -2.478 356 HG12 VAL 47 HG12 VAL 47 3.396 2.155 -2.975 357 HG13 VAL 47 HG13 VAL 47 4.061 2.399 -1.359 358 HG21 VAL 47 HG21 VAL 47 2.404 5.035 -0.660 359 HG22 VAL 47 HG22 VAL 47 2.886 3.634 0.296 360 HG23 VAL 47 HG23 VAL 47 1.174 4.026 0.112 361 H LYS 48 HN LYS 48 0.327 6.150 -2.460 362 HA LYS 48 HA LYS 48 2.858 7.386 -3.243 363 HB2 LYS 48 HB2 LYS 48 1.469 7.557 -5.190 364 HB3 LYS 48 HB1 LYS 48 0.123 8.185 -4.242 365 HG2 LYS 48 HG2 LYS 48 1.193 9.961 -5.494 366 HG3 LYS 48 HG1 LYS 48 1.432 10.209 -3.764 367 HD2 LYS 48 HD2 LYS 48 3.679 9.268 -3.935 368 HD3 LYS 48 HD1 LYS 48 3.441 8.996 -5.662 369 HE2 LYS 48 HE2 LYS 48 3.178 11.398 -6.012 370 HE3 LYS 48 HE1 LYS 48 3.390 11.677 -4.284 371 HZ1 LYS 48 HZ1 LYS 48 5.437 10.447 -6.050 372 HZ2 LYS 48 HZ2 LYS 48 5.631 10.865 -4.420 373 HZ3 LYS 48 HZ3 LYS 48 5.418 12.075 -5.586 374 H LYS 49 HN LYS 49 3.570 8.821 -1.798 375 HA LYS 49 HA LYS 49 2.067 9.078 0.612 376 HB2 LYS 49 HB2 LYS 49 4.631 8.926 0.289 377 HB3 LYS 49 HB1 LYS 49 4.545 10.659 0.001 378 HG2 LYS 49 HG2 LYS 49 3.623 11.030 2.187 379 HG3 LYS 49 HG1 LYS 49 3.515 9.292 2.475 380 HD2 LYS 49 HD2 LYS 49 5.453 9.949 3.613 381 HD3 LYS 49 HD1 LYS 49 6.049 9.259 2.104 382 HE2 LYS 49 HE2 LYS 49 7.232 11.309 2.618 383 HE3 LYS 49 HE1 LYS 49 6.251 11.518 1.166 384 HZ1 LYS 49 HZ1 LYS 49 5.293 12.323 3.852 385 HZ2 LYS 49 HZ2 LYS 49 4.675 12.779 2.339 386 HZ3 LYS 49 HZ3 LYS 49 6.176 13.373 2.856 387 H GLY 50 HN GLY 50 0.353 10.339 0.645 388 HA2 GLY 50 HA2 GLY 50 0.632 13.104 -0.355 389 HA3 GLY 50 HA1 GLY 50 -0.892 12.224 -0.323 390 H SER 51 HN SER 51 1.472 12.095 2.215 391 HA SER 51 HA SER 51 -0.367 13.547 3.989 392 HB2 SER 51 HB2 SER 51 1.479 11.251 4.712 393 HB3 SER 51 HB1 SER 51 0.353 12.064 5.796 394 HG SER 51 HG SER 51 -1.350 11.319 4.419 Start of MODEL 8 1 H GLY 1 HT1 GLY 1 6.787 7.389 -13.166 2 HA2 GLY 1 HA1 GLY 1 3.979 6.733 -13.863 3 HA3 GLY 1 HA2 GLY 1 4.875 6.024 -12.525 4 H THR 2 HN THR 2 2.448 7.889 -12.801 5 HA THR 2 HA THR 2 3.245 10.298 -11.477 6 HB THR 2 HB THR 2 0.472 9.103 -11.667 7 HG1 THR 2 HG1 THR 2 0.610 9.599 -13.716 8 HG21 THR 2 HG21 THR 2 1.396 11.951 -11.241 9 HG22 THR 2 HG22 THR 2 0.692 10.905 -10.009 10 HG23 THR 2 HG23 THR 2 -0.279 11.421 -11.390 11 H ASN 3 HN ASN 3 1.315 7.493 -10.420 12 HA ASN 3 HA ASN 3 1.755 8.136 -7.619 13 HB2 ASN 3 HB2 ASN 3 0.461 5.691 -8.872 14 HB3 ASN 3 HB1 ASN 3 0.403 6.138 -7.172 15 HD21 ASN 3 HD21 ASN 3 -1.016 7.692 -6.500 16 HD22 ASN 3 HD22 ASN 3 -2.240 8.366 -7.526 17 H THR 4 HN THR 4 2.458 6.099 -6.214 18 HA THR 4 HA THR 4 4.646 4.726 -7.626 19 HB THR 4 HB THR 4 4.347 5.267 -4.656 20 HG1 THR 4 HG1 THR 4 5.908 6.574 -6.658 21 HG21 THR 4 HG21 THR 4 5.677 3.273 -5.113 22 HG22 THR 4 HG22 THR 4 6.709 4.574 -4.523 23 HG23 THR 4 HG23 THR 4 6.683 4.180 -6.242 24 H TYR 5 HN TYR 5 4.785 2.431 -7.207 25 HA TYR 5 HA TYR 5 2.654 1.397 -5.499 26 HB2 TYR 5 HB2 TYR 5 2.648 -0.662 -7.096 27 HB3 TYR 5 HB1 TYR 5 1.738 0.773 -7.542 28 HD1 TYR 5 HD1 TYR 5 4.917 -1.047 -8.181 29 HD2 TYR 5 HD2 TYR 5 2.162 1.893 -9.552 30 HE1 TYR 5 HE1 TYR 5 6.071 -0.982 -10.354 31 HE2 TYR 5 HE2 TYR 5 3.310 1.967 -11.722 32 HH TYR 5 HH TYR 5 5.623 -0.374 -12.653 33 H TYR 6 HN TYR 6 3.143 -0.603 -4.484 34 HA TYR 6 HA TYR 6 6.006 -1.181 -4.305 35 HB2 TYR 6 HB2 TYR 6 5.964 0.349 -2.603 36 HB3 TYR 6 HB1 TYR 6 4.251 0.127 -2.298 37 HD1 TYR 6 HD2 TYR 6 7.632 -1.108 -1.523 38 HD2 TYR 6 HD1 TYR 6 3.480 -1.443 -0.679 39 HE1 TYR 6 HE2 TYR 6 8.153 -2.358 0.532 40 HE2 TYR 6 HE1 TYR 6 3.981 -2.682 1.380 41 HH TYR 6 HH TYR 6 7.127 -2.866 2.685 42 H THR 7 HN THR 7 6.454 -3.287 -3.843 43 HA THR 7 HA THR 7 4.231 -5.125 -3.635 44 HB THR 7 HB THR 7 6.308 -6.754 -3.248 45 HG1 THR 7 HG1 THR 7 7.404 -4.513 -4.638 46 HG21 THR 7 HG21 THR 7 5.454 -5.572 -5.884 47 HG22 THR 7 HG22 THR 7 4.744 -6.962 -5.056 48 HG23 THR 7 HG23 THR 7 6.385 -7.061 -5.700 49 H VAL 8 HN VAL 8 3.387 -5.823 -1.829 50 HA VAL 8 HA VAL 8 4.052 -4.755 0.660 51 HB VAL 8 HB VAL 8 2.543 -7.320 0.110 52 HG11 VAL 8 HG11 VAL 8 1.476 -6.863 2.288 53 HG12 VAL 8 HG12 VAL 8 2.593 -5.519 2.530 54 HG13 VAL 8 HG13 VAL 8 3.207 -7.171 2.428 55 HG21 VAL 8 HG21 VAL 8 1.550 -4.478 0.380 56 HG22 VAL 8 HG22 VAL 8 0.525 -5.907 0.262 57 HG23 VAL 8 HG23 VAL 8 1.552 -5.444 -1.095 58 H LYS 9 HN LYS 9 5.741 -5.097 1.841 59 HA LYS 9 HA LYS 9 7.275 -7.586 1.604 60 HB2 LYS 9 HB2 LYS 9 7.997 -4.831 1.703 61 HB3 LYS 9 HB1 LYS 9 8.616 -5.600 3.155 62 HG2 LYS 9 HG2 LYS 9 10.274 -5.605 1.384 63 HG3 LYS 9 HG1 LYS 9 9.790 -7.248 1.803 64 HD2 LYS 9 HD2 LYS 9 8.246 -5.984 -0.366 65 HD3 LYS 9 HD1 LYS 9 9.942 -6.305 -0.729 66 HE2 LYS 9 HE2 LYS 9 7.969 -8.340 0.306 67 HE3 LYS 9 HE1 LYS 9 8.450 -8.163 -1.381 68 HZ1 LYS 9 HZ1 LYS 9 10.246 -8.861 0.883 69 HZ2 LYS 9 HZ2 LYS 9 10.740 -8.639 -0.722 70 HZ3 LYS 9 HZ3 LYS 9 9.701 -9.922 -0.326 71 H SER 10 HN SER 10 8.556 -7.915 3.835 72 HA SER 10 HA SER 10 6.959 -8.793 5.840 73 HB2 SER 10 HB2 SER 10 8.932 -8.262 7.382 74 HB3 SER 10 HB1 SER 10 9.286 -9.246 5.961 75 HG SER 10 HG SER 10 9.502 -6.556 5.501 76 H GLY 11 HN GLY 11 5.459 -7.884 7.022 77 HA2 GLY 11 HA2 GLY 11 4.704 -5.929 8.374 78 HA3 GLY 11 HA1 GLY 11 5.368 -4.929 7.081 79 H ASP 12 HN ASP 12 3.685 -7.942 6.745 80 HA ASP 12 HA ASP 12 2.342 -7.366 4.427 81 HB2 ASP 12 HB2 ASP 12 1.098 -9.392 4.767 82 HB3 ASP 12 HB1 ASP 12 2.767 -9.623 5.292 83 H THR 13 HN THR 13 1.448 -5.771 7.168 84 HA THR 13 HA THR 13 -1.420 -6.093 6.564 85 HB THR 13 HB THR 13 -0.398 -5.217 9.260 86 HG1 THR 13 HG1 THR 13 -0.199 -7.695 8.084 87 HG21 THR 13 HG21 THR 13 -2.914 -6.649 8.385 88 HG22 THR 13 HG22 THR 13 -2.793 -4.926 8.737 89 HG23 THR 13 HG23 THR 13 -2.540 -6.109 10.020 90 H LEU 14 HN LEU 14 -2.736 -4.170 6.910 91 HA LEU 14 HA LEU 14 -1.829 -2.113 5.304 92 HB2 LEU 14 HB2 LEU 14 -4.051 -2.190 7.332 93 HB3 LEU 14 HB1 LEU 14 -3.795 -0.835 6.254 94 HG LEU 14 HG LEU 14 -4.232 -3.615 5.207 95 HD11 LEU 14 HD11 LEU 14 -6.123 -3.019 6.663 96 HD12 LEU 14 HD12 LEU 14 -6.589 -3.057 4.962 97 HD13 LEU 14 HD13 LEU 14 -6.324 -1.512 5.769 98 HD21 LEU 14 HD21 LEU 14 -3.286 -1.976 3.672 99 HD22 LEU 14 HD22 LEU 14 -4.601 -0.858 4.041 100 HD23 LEU 14 HD23 LEU 14 -4.943 -2.379 3.215 101 H ASN 15 HN ASN 15 -2.162 -2.154 8.825 102 HA ASN 15 HA ASN 15 -1.337 0.493 9.246 103 HB2 ASN 15 HB2 ASN 15 -1.009 -0.170 11.595 104 HB3 ASN 15 HB1 ASN 15 -2.535 -0.765 10.957 105 HD21 ASN 15 HD21 ASN 15 -1.059 -1.697 13.239 106 HD22 ASN 15 HD22 ASN 15 -0.696 -3.374 12.947 107 H LYS 16 HN LYS 16 0.507 -2.480 8.851 108 HA LYS 16 HA LYS 16 2.896 -1.337 9.983 109 HB2 LYS 16 HB2 LYS 16 2.459 -3.900 8.438 110 HB3 LYS 16 HB1 LYS 16 3.988 -3.435 9.177 111 HG2 LYS 16 HG2 LYS 16 2.846 -3.369 11.378 112 HG3 LYS 16 HG1 LYS 16 1.385 -3.972 10.599 113 HD2 LYS 16 HD2 LYS 16 4.042 -5.408 10.628 114 HD3 LYS 16 HD1 LYS 16 2.707 -5.746 11.728 115 HE2 LYS 16 HE2 LYS 16 1.290 -6.267 9.757 116 HE3 LYS 16 HE1 LYS 16 2.701 -6.045 8.729 117 HZ1 LYS 16 HZ1 LYS 16 2.486 -8.356 9.118 118 HZ2 LYS 16 HZ2 LYS 16 2.263 -8.140 10.783 119 HZ3 LYS 16 HZ3 LYS 16 3.784 -7.842 10.091 120 H ILE 17 HN ILE 17 1.798 -2.105 6.675 121 HA ILE 17 HA ILE 17 4.225 -1.134 5.525 122 HB ILE 17 HB ILE 17 2.909 -1.157 3.354 123 HG12 ILE 17 HG12 ILE 17 0.905 -2.702 4.994 124 HG13 ILE 17 HG11 ILE 17 0.644 -1.067 4.389 125 HG21 ILE 17 HG21 ILE 17 4.470 -2.884 3.991 126 HG22 ILE 17 HG22 ILE 17 3.082 -3.572 3.150 127 HG23 ILE 17 HG23 ILE 17 3.205 -3.705 4.903 128 HD11 ILE 17 HD11 ILE 17 -0.410 -2.805 2.996 129 HD12 ILE 17 HD12 ILE 17 1.199 -3.469 2.656 130 HD13 ILE 17 HD13 ILE 17 0.780 -1.840 2.117 131 H ALA 18 HN ALA 18 0.972 0.220 5.877 132 HA ALA 18 HA ALA 18 1.345 2.562 4.399 133 HB1 ALA 18 HB1 ALA 18 -0.836 1.790 5.190 134 HB2 ALA 18 HB2 ALA 18 -0.534 3.463 5.660 135 HB3 ALA 18 HB3 ALA 18 -0.361 2.169 6.845 136 H ALA 19 HN ALA 19 1.794 2.002 7.885 137 HA ALA 19 HA ALA 19 2.585 4.676 8.426 138 HB1 ALA 19 HB1 ALA 19 3.084 2.197 10.066 139 HB2 ALA 19 HB2 ALA 19 1.634 3.201 10.138 140 HB3 ALA 19 HB3 ALA 19 3.193 3.866 10.630 141 H GLN 20 HN GLN 20 4.232 1.864 7.267 142 HA GLN 20 HA GLN 20 6.871 2.548 7.971 143 HB2 GLN 20 HB2 GLN 20 5.591 0.644 6.229 144 HB3 GLN 20 HB1 GLN 20 7.015 1.321 5.451 145 HG2 GLN 20 HG2 GLN 20 7.119 0.275 8.254 146 HG3 GLN 20 HG1 GLN 20 7.279 -0.796 6.865 147 HE21 GLN 20 HE21 GLN 20 8.522 2.488 6.824 148 HE22 GLN 20 HE22 GLN 20 10.189 2.046 6.845 149 H TYR 21 HN TYR 21 5.028 3.418 5.022 150 HA TYR 21 HA TYR 21 7.215 5.282 4.424 151 HB2 TYR 21 HB2 TYR 21 5.891 5.340 2.108 152 HB3 TYR 21 HB1 TYR 21 7.156 4.178 2.466 153 HD1 TYR 21 HD2 TYR 21 3.445 4.489 2.924 154 HD2 TYR 21 HD1 TYR 21 6.742 2.006 1.900 155 HE1 TYR 21 HE2 TYR 21 1.899 2.645 2.417 156 HE2 TYR 21 HE1 TYR 21 5.204 0.162 1.388 157 HH TYR 21 HH TYR 21 2.926 -0.554 1.945 158 H GLY 22 HN GLY 22 4.528 5.488 6.061 159 HA2 GLY 22 HA2 GLY 22 3.744 7.466 6.969 160 HA3 GLY 22 HA1 GLY 22 4.642 8.344 5.749 161 H VAL 23 HN VAL 23 2.286 5.873 4.929 162 HA VAL 23 HA VAL 23 0.456 8.019 4.064 163 HB VAL 23 HB VAL 23 1.403 6.644 2.191 164 HG11 VAL 23 HG11 VAL 23 0.587 4.355 1.890 165 HG12 VAL 23 HG12 VAL 23 -0.164 4.427 3.484 166 HG13 VAL 23 HG13 VAL 23 1.591 4.519 3.332 167 HG21 VAL 23 HG21 VAL 23 -0.719 6.233 1.056 168 HG22 VAL 23 HG22 VAL 23 -0.719 7.778 1.903 169 HG23 VAL 23 HG23 VAL 23 -1.567 6.396 2.594 170 H SER 24 HN SER 24 -1.868 7.440 4.241 171 HA SER 24 HA SER 24 -2.296 5.879 6.662 172 HB2 SER 24 HB2 SER 24 -4.245 7.637 5.153 173 HB3 SER 24 HB1 SER 24 -4.477 6.949 6.761 174 HG SER 24 HG SER 24 -2.153 8.289 6.684 175 H VAL 25 HN VAL 25 -3.907 4.299 6.820 176 HA VAL 25 HA VAL 25 -3.976 2.390 4.796 177 HB VAL 25 HB VAL 25 -5.943 2.793 7.055 178 HG11 VAL 25 HG11 VAL 25 -6.842 1.287 5.385 179 HG12 VAL 25 HG12 VAL 25 -6.386 0.391 6.834 180 HG13 VAL 25 HG13 VAL 25 -5.352 0.342 5.405 181 HG21 VAL 25 HG21 VAL 25 -3.429 1.133 6.923 182 HG22 VAL 25 HG22 VAL 25 -4.571 1.168 8.267 183 HG23 VAL 25 HG23 VAL 25 -3.652 2.616 7.853 184 H ALA 26 HN ALA 26 -6.202 5.016 5.514 185 HA ALA 26 HA ALA 26 -8.369 4.155 3.970 186 HB1 ALA 26 HB1 ALA 26 -8.478 5.895 5.704 187 HB2 ALA 26 HB2 ALA 26 -9.205 6.409 4.182 188 HB3 ALA 26 HB3 ALA 26 -7.602 6.993 4.636 189 H ASN 27 HN ASN 27 -5.691 6.376 3.081 190 HA ASN 27 HA ASN 27 -6.870 6.791 0.508 191 HB2 ASN 27 HB2 ASN 27 -4.591 7.954 0.015 192 HB3 ASN 27 HB1 ASN 27 -5.768 8.715 1.067 193 HD21 ASN 27 HD21 ASN 27 -3.049 9.317 0.929 194 HD22 ASN 27 HD22 ASN 27 -2.341 8.948 2.471 195 H LEU 28 HN LEU 28 -4.273 4.663 1.689 196 HA LEU 28 HA LEU 28 -3.632 3.997 -1.010 197 HB2 LEU 28 HB2 LEU 28 -2.338 2.105 -0.178 198 HB3 LEU 28 HB1 LEU 28 -1.897 3.629 0.546 199 HG LEU 28 HG LEU 28 -3.248 2.889 2.579 200 HD11 LEU 28 HD11 LEU 28 -4.509 1.077 1.512 201 HD12 LEU 28 HD12 LEU 28 -3.524 0.468 2.843 202 HD13 LEU 28 HD13 LEU 28 -3.002 0.221 1.177 203 HD21 LEU 28 HD21 LEU 28 -0.834 1.273 1.775 204 HD22 LEU 28 HD22 LEU 28 -1.356 1.647 3.421 205 HD23 LEU 28 HD23 LEU 28 -0.782 2.936 2.356 206 H ARG 29 HN ARG 29 -5.941 2.730 1.292 207 HA ARG 29 HA ARG 29 -6.767 0.513 -0.247 208 HB2 ARG 29 HB2 ARG 29 -8.220 2.255 1.733 209 HB3 ARG 29 HB1 ARG 29 -9.003 0.902 0.934 210 HG2 ARG 29 HG2 ARG 29 -7.540 -0.661 1.944 211 HG3 ARG 29 HG1 ARG 29 -6.478 0.619 2.535 212 HD2 ARG 29 HD2 ARG 29 -7.887 -0.278 4.321 213 HD3 ARG 29 HD1 ARG 29 -8.229 1.423 4.008 214 HE ARG 29 HE ARG 29 -9.975 -0.256 2.519 215 HH11 ARG 29 HH11 ARG 29 -9.417 1.025 5.738 216 HH12 ARG 29 HH12 ARG 29 -11.077 0.854 6.225 217 HH21 ARG 29 HH21 ARG 29 -12.146 -0.456 3.151 218 HH22 ARG 29 HH22 ARG 29 -12.632 0.029 4.750 219 H SER 30 HN SER 30 -7.452 3.936 -0.471 220 HA SER 30 HA SER 30 -9.789 3.674 -2.062 221 HB2 SER 30 HB2 SER 30 -7.997 6.064 -1.603 222 HB3 SER 30 HB1 SER 30 -9.588 6.119 -2.365 223 HG SER 30 HG SER 30 -8.943 5.411 0.311 224 H TRP 31 HN TRP 31 -6.373 4.422 -2.961 225 HA TRP 31 HA TRP 31 -7.220 4.581 -5.729 226 HB2 TRP 31 HB2 TRP 31 -4.705 4.833 -6.191 227 HB3 TRP 31 HB1 TRP 31 -5.535 6.135 -5.341 228 HD1 TRP 31 HD1 TRP 31 -4.061 2.902 -3.803 229 HE1 TRP 31 HE1 TRP 31 -2.319 3.594 -2.048 230 HE3 TRP 31 HE3 TRP 31 -4.153 7.970 -4.498 231 HZ2 TRP 31 HZ2 TRP 31 -1.143 5.954 -1.075 232 HZ3 TRP 31 HZ3 TRP 31 -2.671 9.369 -3.110 233 HH2 TRP 31 HH2 TRP 31 -1.206 8.380 -1.436 234 H ASN 32 HN ASN 32 -6.573 2.044 -3.737 235 HA ASN 32 HA ASN 32 -5.595 0.374 -5.938 236 HB2 ASN 32 HB2 ASN 32 -5.774 -0.021 -2.974 237 HB3 ASN 32 HB1 ASN 32 -5.748 -1.428 -4.031 238 HD21 ASN 32 HD21 ASN 32 -3.948 1.196 -2.704 239 HD22 ASN 32 HD22 ASN 32 -2.398 0.708 -3.305 240 H GLY 33 HN GLY 33 -8.455 1.274 -4.302 241 HA2 GLY 33 HA2 GLY 33 -10.588 0.413 -4.212 242 HA3 GLY 33 HA1 GLY 33 -10.206 -0.396 -5.731 243 H ILE 34 HN ILE 34 -8.570 -0.789 -2.649 244 HA ILE 34 HA ILE 34 -9.184 -3.663 -2.816 245 HB ILE 34 HB ILE 34 -6.586 -2.271 -2.191 246 HG12 ILE 34 HG12 ILE 34 -7.014 -2.752 -4.537 247 HG13 ILE 34 HG11 ILE 34 -5.724 -3.791 -3.935 248 HG21 ILE 34 HG21 ILE 34 -5.627 -4.427 -1.562 249 HG22 ILE 34 HG22 ILE 34 -7.220 -5.176 -1.692 250 HG23 ILE 34 HG23 ILE 34 -6.918 -3.953 -0.457 251 HD11 ILE 34 HD11 ILE 34 -7.255 -5.014 -5.360 252 HD12 ILE 34 HD12 ILE 34 -8.597 -4.580 -4.304 253 HD13 ILE 34 HD13 ILE 34 -7.308 -5.624 -3.706 254 H SER 35 HN SER 35 -10.242 -4.411 -1.105 255 HA SER 35 HA SER 35 -10.194 -3.169 1.457 256 HB2 SER 35 HB2 SER 35 -10.903 -6.035 0.770 257 HB3 SER 35 HB1 SER 35 -11.392 -5.140 2.210 258 HG SER 35 HG SER 35 -12.942 -4.227 1.112 259 H GLY 36 HN GLY 36 -8.474 -3.149 2.735 260 HA2 GLY 36 HA2 GLY 36 -6.080 -4.452 1.981 261 HA3 GLY 36 HA1 GLY 36 -6.313 -3.482 3.421 262 H ASP 37 HN ASP 37 -8.574 -5.943 3.402 263 HA ASP 37 HA ASP 37 -7.335 -7.363 5.521 264 HB2 ASP 37 HB2 ASP 37 -9.670 -8.137 3.754 265 HB3 ASP 37 HB1 ASP 37 -9.209 -8.968 5.235 266 H LEU 38 HN LEU 38 -7.473 -7.766 2.054 267 HA LEU 38 HA LEU 38 -6.214 -10.392 2.247 268 HB2 LEU 38 HB2 LEU 38 -6.592 -10.378 -0.284 269 HB3 LEU 38 HB1 LEU 38 -7.984 -10.525 0.765 270 HG LEU 38 HG LEU 38 -8.310 -8.012 0.439 271 HD11 LEU 38 HD11 LEU 38 -6.425 -8.521 -1.857 272 HD12 LEU 38 HD12 LEU 38 -6.104 -7.494 -0.460 273 HD13 LEU 38 HD13 LEU 38 -7.375 -7.057 -1.601 274 HD21 LEU 38 HD21 LEU 38 -9.478 -8.346 -1.675 275 HD22 LEU 38 HD22 LEU 38 -9.727 -9.710 -0.585 276 HD23 LEU 38 HD23 LEU 38 -8.595 -9.852 -1.930 277 H ILE 39 HN ILE 39 -4.596 -8.191 2.988 278 HA ILE 39 HA ILE 39 -2.784 -7.820 0.726 279 HB ILE 39 HB ILE 39 -2.829 -6.601 3.492 280 HG12 ILE 39 HG12 ILE 39 -3.262 -5.589 0.689 281 HG13 ILE 39 HG11 ILE 39 -4.327 -5.450 2.084 282 HG21 ILE 39 HG21 ILE 39 -0.708 -6.225 1.383 283 HG22 ILE 39 HG22 ILE 39 -0.496 -7.081 2.922 284 HG23 ILE 39 HG23 ILE 39 -0.824 -5.341 2.911 285 HD11 ILE 39 HD11 ILE 39 -3.412 -3.300 1.653 286 HD12 ILE 39 HD12 ILE 39 -1.776 -3.947 1.559 287 HD13 ILE 39 HD13 ILE 39 -2.624 -3.918 3.109 288 H PHE 40 HN PHE 40 -0.875 -8.802 0.511 289 HA PHE 40 HA PHE 40 0.275 -10.349 2.680 290 HB2 PHE 40 HB2 PHE 40 0.304 -12.451 1.402 291 HB3 PHE 40 HB1 PHE 40 -1.345 -11.923 1.714 292 HD1 PHE 40 HD2 PHE 40 -2.652 -10.853 -0.141 293 HD2 PHE 40 HD1 PHE 40 1.097 -12.758 -0.789 294 HE1 PHE 40 HE2 PHE 40 -3.152 -11.009 -2.544 295 HE2 PHE 40 HE1 PHE 40 0.605 -12.916 -3.195 296 HZ PHE 40 HZ PHE 40 -1.523 -12.042 -4.076 297 H VAL 41 HN VAL 41 2.390 -11.268 2.075 298 HA VAL 41 HA VAL 41 4.014 -9.348 0.826 299 HB VAL 41 HB VAL 41 4.623 -12.234 1.489 300 HG11 VAL 41 HG11 VAL 41 6.981 -11.580 1.384 301 HG12 VAL 41 HG12 VAL 41 6.508 -9.977 0.818 302 HG13 VAL 41 HG13 VAL 41 6.185 -11.395 -0.180 303 HG21 VAL 41 HG21 VAL 41 5.209 -9.685 2.996 304 HG22 VAL 41 HG22 VAL 41 5.695 -11.311 3.482 305 HG23 VAL 41 HG23 VAL 41 3.985 -10.882 3.424 306 H GLY 42 HN GLY 42 4.635 -9.033 -1.219 307 HA2 GLY 42 HA2 GLY 42 5.354 -9.867 -3.365 308 HA3 GLY 42 HA1 GLY 42 4.238 -11.210 -3.172 309 H GLN 43 HN GLN 43 2.246 -9.215 -2.102 310 HA GLN 43 HA GLN 43 0.880 -8.672 -4.536 311 HB2 GLN 43 HB2 GLN 43 -0.449 -9.093 -2.639 312 HB3 GLN 43 HB1 GLN 43 0.451 -7.960 -1.648 313 HG2 GLN 43 HG2 GLN 43 -0.486 -6.143 -3.177 314 HG3 GLN 43 HG1 GLN 43 -1.608 -7.385 -3.747 315 HE21 GLN 43 HE21 GLN 43 -3.396 -6.298 -2.855 316 HE22 GLN 43 HE22 GLN 43 -3.671 -6.262 -1.149 317 H LYS 44 HN LYS 44 0.874 -6.883 -5.771 318 HA LYS 44 HA LYS 44 2.600 -4.655 -4.969 319 HB2 LYS 44 HB2 LYS 44 3.014 -5.659 -7.159 320 HB3 LYS 44 HB1 LYS 44 1.340 -5.388 -7.621 321 HG2 LYS 44 HG2 LYS 44 1.852 -2.902 -7.227 322 HG3 LYS 44 HG1 LYS 44 3.545 -3.395 -7.285 323 HD2 LYS 44 HD2 LYS 44 3.051 -2.780 -9.487 324 HD3 LYS 44 HD1 LYS 44 2.942 -4.540 -9.498 325 HE2 LYS 44 HE2 LYS 44 0.599 -2.655 -9.234 326 HE3 LYS 44 HE1 LYS 44 1.098 -3.439 -10.728 327 HZ1 LYS 44 HZ1 LYS 44 0.578 -5.568 -9.799 328 HZ2 LYS 44 HZ2 LYS 44 -0.767 -4.557 -9.582 329 HZ3 LYS 44 HZ3 LYS 44 0.255 -4.893 -8.279 330 H LEU 45 HN LEU 45 1.515 -3.139 -3.819 331 HA LEU 45 HA LEU 45 -1.169 -2.425 -4.783 332 HB2 LEU 45 HB2 LEU 45 -1.955 -2.081 -2.597 333 HB3 LEU 45 HB1 LEU 45 -1.043 -3.569 -2.515 334 HG LEU 45 HG LEU 45 -0.611 -2.461 -0.524 335 HD11 LEU 45 HD11 LEU 45 1.385 -3.379 -1.540 336 HD12 LEU 45 HD12 LEU 45 1.743 -1.977 -0.532 337 HD13 LEU 45 HD13 LEU 45 1.725 -1.818 -2.289 338 HD21 LEU 45 HD21 LEU 45 -1.473 -0.274 -1.085 339 HD22 LEU 45 HD22 LEU 45 -0.042 0.057 -2.063 340 HD23 LEU 45 HD23 LEU 45 0.110 -0.145 -0.318 341 H ILE 46 HN ILE 46 -1.722 -0.259 -4.978 342 HA ILE 46 HA ILE 46 0.405 1.498 -5.659 343 HB ILE 46 HB ILE 46 -2.542 2.098 -5.293 344 HG12 ILE 46 HG12 ILE 46 -2.441 2.408 -7.801 345 HG13 ILE 46 HG11 ILE 46 -0.838 1.675 -7.755 346 HG21 ILE 46 HG21 ILE 46 -1.177 4.101 -4.878 347 HG22 ILE 46 HG22 ILE 46 -2.136 4.245 -6.354 348 HG23 ILE 46 HG23 ILE 46 -0.413 3.890 -6.455 349 HD11 ILE 46 HD11 ILE 46 -3.414 0.367 -6.916 350 HD12 ILE 46 HD12 ILE 46 -1.815 -0.375 -6.854 351 HD13 ILE 46 HD13 ILE 46 -2.523 0.067 -8.406 352 H VAL 47 HN VAL 47 1.393 3.055 -4.544 353 HA VAL 47 HA VAL 47 0.124 4.228 -2.228 354 HB VAL 47 HB VAL 47 1.355 2.393 -1.194 355 HG11 VAL 47 HG11 VAL 47 3.806 2.289 -1.284 356 HG12 VAL 47 HG12 VAL 47 3.811 3.582 -2.482 357 HG13 VAL 47 HG13 VAL 47 3.079 2.026 -2.868 358 HG21 VAL 47 HG21 VAL 47 2.777 3.750 0.333 359 HG22 VAL 47 HG22 VAL 47 1.156 4.395 0.080 360 HG23 VAL 47 HG23 VAL 47 2.535 5.125 -0.746 361 H LYS 48 HN LYS 48 0.440 6.354 -2.396 362 HA LYS 48 HA LYS 48 3.056 7.302 -3.280 363 HB2 LYS 48 HB2 LYS 48 1.560 7.485 -5.207 364 HB3 LYS 48 HB1 LYS 48 0.451 8.471 -4.258 365 HG2 LYS 48 HG2 LYS 48 2.316 10.126 -3.979 366 HG3 LYS 48 HG1 LYS 48 3.245 9.171 -5.134 367 HD2 LYS 48 HD2 LYS 48 1.365 9.469 -6.759 368 HD3 LYS 48 HD1 LYS 48 0.629 10.588 -5.613 369 HE2 LYS 48 HE2 LYS 48 3.305 10.881 -6.971 370 HE3 LYS 48 HE1 LYS 48 1.852 11.826 -7.288 371 HZ1 LYS 48 HZ1 LYS 48 2.029 12.502 -4.847 372 HZ2 LYS 48 HZ2 LYS 48 3.143 13.176 -5.930 373 HZ3 LYS 48 HZ3 LYS 48 3.619 11.905 -4.915 374 H LYS 49 HN LYS 49 3.926 8.564 -1.827 375 HA LYS 49 HA LYS 49 2.311 9.666 0.308 376 HB2 LYS 49 HB2 LYS 49 4.826 8.677 0.254 377 HB3 LYS 49 HB1 LYS 49 5.179 10.386 0.052 378 HG2 LYS 49 HG2 LYS 49 3.635 9.150 2.323 379 HG3 LYS 49 HG1 LYS 49 5.293 9.744 2.389 380 HD2 LYS 49 HD2 LYS 49 4.467 12.008 1.857 381 HD3 LYS 49 HD1 LYS 49 2.815 11.384 1.868 382 HE2 LYS 49 HE2 LYS 49 3.122 10.695 4.214 383 HE3 LYS 49 HE1 LYS 49 4.740 11.397 4.192 384 HZ1 LYS 49 HZ1 LYS 49 3.144 12.904 5.181 385 HZ2 LYS 49 HZ2 LYS 49 2.198 12.875 3.778 386 HZ3 LYS 49 HZ3 LYS 49 3.747 13.562 3.737 387 H GLY 50 HN GLY 50 1.200 11.467 -0.141 388 HA2 GLY 50 HA2 GLY 50 1.265 13.853 -0.355 389 HA3 GLY 50 HA1 GLY 50 2.665 13.684 -1.407 390 H SER 51 HN SER 51 -0.806 13.213 -1.178 391 HA SER 51 HA SER 51 -1.001 13.786 -4.037 392 HB2 SER 51 HB2 SER 51 -2.504 11.506 -2.717 393 HB3 SER 51 HB1 SER 51 -2.586 11.978 -4.416 394 HG SER 51 HG SER 51 -0.065 11.432 -3.399 Start of MODEL 9 1 H GLY 1 HT1 GLY 1 -2.841 9.139 -10.581 2 HA2 GLY 1 HA1 GLY 1 -1.889 10.613 -12.175 3 HA3 GLY 1 HA2 GLY 1 -1.011 11.453 -10.901 4 H THR 2 HN THR 2 1.083 11.036 -11.361 5 HA THR 2 HA THR 2 1.940 8.369 -12.059 6 HB THR 2 HB THR 2 4.272 9.402 -11.729 7 HG1 THR 2 HG1 THR 2 3.678 11.215 -10.487 8 HG21 THR 2 HG21 THR 2 4.171 10.555 -13.888 9 HG22 THR 2 HG22 THR 2 2.411 10.596 -13.786 10 HG23 THR 2 HG23 THR 2 3.248 9.050 -13.924 11 H ASN 3 HN ASN 3 0.932 7.421 -10.185 12 HA ASN 3 HA ASN 3 2.037 7.984 -7.572 13 HB2 ASN 3 HB2 ASN 3 -0.005 5.956 -8.511 14 HB3 ASN 3 HB1 ASN 3 0.471 6.168 -6.831 15 HD21 ASN 3 HD21 ASN 3 -1.627 6.703 -6.223 16 HD22 ASN 3 HD22 ASN 3 -2.337 8.232 -6.608 17 H THR 4 HN THR 4 2.831 6.138 -6.207 18 HA THR 4 HA THR 4 4.671 4.515 -7.804 19 HB THR 4 HB THR 4 4.685 5.132 -4.832 20 HG1 THR 4 HG1 THR 4 5.148 6.848 -6.581 21 HG21 THR 4 HG21 THR 4 6.810 3.882 -6.581 22 HG22 THR 4 HG22 THR 4 5.848 3.047 -5.357 23 HG23 THR 4 HG23 THR 4 6.992 4.300 -4.877 24 H TYR 5 HN TYR 5 4.827 2.223 -7.266 25 HA TYR 5 HA TYR 5 2.670 1.284 -5.523 26 HB2 TYR 5 HB2 TYR 5 2.786 -0.823 -7.181 27 HB3 TYR 5 HB1 TYR 5 1.695 0.531 -7.441 28 HD1 TYR 5 HD1 TYR 5 4.908 -0.966 -8.522 29 HD2 TYR 5 HD2 TYR 5 1.893 1.925 -9.322 30 HE1 TYR 5 HE1 TYR 5 5.859 -0.602 -10.761 31 HE2 TYR 5 HE2 TYR 5 2.827 2.297 -11.558 32 HH TYR 5 HH TYR 5 5.057 0.215 -12.993 33 H TYR 6 HN TYR 6 3.158 -0.418 -4.225 34 HA TYR 6 HA TYR 6 6.015 -1.122 -4.102 35 HB2 TYR 6 HB2 TYR 6 5.801 0.417 -2.379 36 HB3 TYR 6 HB1 TYR 6 4.131 -0.019 -2.056 37 HD1 TYR 6 HD2 TYR 6 7.635 -1.214 -1.619 38 HD2 TYR 6 HD1 TYR 6 3.597 -1.434 -0.300 39 HE1 TYR 6 HE2 TYR 6 8.345 -2.531 0.334 40 HE2 TYR 6 HE1 TYR 6 4.286 -2.746 1.657 41 HH TYR 6 HH TYR 6 7.584 -3.096 2.547 42 H THR 7 HN THR 7 6.473 -3.250 -3.781 43 HA THR 7 HA THR 7 4.259 -5.103 -3.554 44 HB THR 7 HB THR 7 6.331 -6.755 -3.302 45 HG1 THR 7 HG1 THR 7 7.407 -4.423 -4.537 46 HG21 THR 7 HG21 THR 7 6.272 -7.047 -5.731 47 HG22 THR 7 HG22 THR 7 5.438 -5.501 -5.890 48 HG23 THR 7 HG23 THR 7 4.661 -6.843 -5.043 49 H VAL 8 HN VAL 8 3.446 -5.745 -1.736 50 HA VAL 8 HA VAL 8 4.264 -4.801 0.754 51 HB VAL 8 HB VAL 8 2.602 -7.263 0.202 52 HG11 VAL 8 HG11 VAL 8 2.805 -5.510 2.647 53 HG12 VAL 8 HG12 VAL 8 3.375 -7.172 2.497 54 HG13 VAL 8 HG13 VAL 8 1.647 -6.823 2.424 55 HG21 VAL 8 HG21 VAL 8 0.667 -5.739 0.461 56 HG22 VAL 8 HG22 VAL 8 1.655 -5.334 -0.941 57 HG23 VAL 8 HG23 VAL 8 1.778 -4.372 0.531 58 H LYS 9 HN LYS 9 5.851 -5.358 2.039 59 HA LYS 9 HA LYS 9 7.109 -8.004 1.745 60 HB2 LYS 9 HB2 LYS 9 8.397 -5.368 2.484 61 HB3 LYS 9 HB1 LYS 9 9.220 -6.924 2.479 62 HG2 LYS 9 HG2 LYS 9 8.016 -5.525 0.100 63 HG3 LYS 9 HG1 LYS 9 9.734 -5.712 0.459 64 HD2 LYS 9 HD2 LYS 9 9.677 -8.026 0.058 65 HD3 LYS 9 HD1 LYS 9 7.917 -8.086 0.157 66 HE2 LYS 9 HE2 LYS 9 8.682 -8.296 -2.150 67 HE3 LYS 9 HE1 LYS 9 7.743 -6.822 -1.917 68 HZ1 LYS 9 HZ1 LYS 9 9.765 -6.497 -3.258 69 HZ2 LYS 9 HZ2 LYS 9 10.715 -6.932 -1.925 70 HZ3 LYS 9 HZ3 LYS 9 9.752 -5.537 -1.866 71 H SER 10 HN SER 10 8.633 -8.192 3.939 72 HA SER 10 HA SER 10 7.041 -9.107 5.927 73 HB2 SER 10 HB2 SER 10 9.693 -7.707 6.370 74 HB3 SER 10 HB1 SER 10 8.951 -8.900 7.439 75 HG SER 10 HG SER 10 9.858 -10.380 6.267 76 H GLY 11 HN GLY 11 5.561 -8.243 7.171 77 HA2 GLY 11 HA2 GLY 11 4.745 -6.354 8.539 78 HA3 GLY 11 HA1 GLY 11 5.475 -5.290 7.333 79 H ASP 12 HN ASP 12 3.745 -8.260 6.859 80 HA ASP 12 HA ASP 12 2.485 -7.610 4.505 81 HB2 ASP 12 HB2 ASP 12 1.131 -9.613 4.827 82 HB3 ASP 12 HB1 ASP 12 2.818 -9.901 5.251 83 H THR 13 HN THR 13 1.627 -6.016 7.223 84 HA THR 13 HA THR 13 -1.253 -6.305 6.676 85 HB THR 13 HB THR 13 -0.072 -5.559 9.359 86 HG1 THR 13 HG1 THR 13 -0.144 -7.979 8.122 87 HG21 THR 13 HG21 THR 13 -2.803 -6.599 8.580 88 HG22 THR 13 HG22 THR 13 -2.425 -4.921 8.969 89 HG23 THR 13 HG23 THR 13 -2.278 -6.168 10.206 90 H LEU 14 HN LEU 14 -2.537 -4.403 6.998 91 HA LEU 14 HA LEU 14 -1.617 -2.311 5.464 92 HB2 LEU 14 HB2 LEU 14 -3.854 -2.447 7.461 93 HB3 LEU 14 HB1 LEU 14 -3.586 -1.053 6.436 94 HG LEU 14 HG LEU 14 -4.005 -3.802 5.297 95 HD11 LEU 14 HD11 LEU 14 -6.081 -1.703 5.908 96 HD12 LEU 14 HD12 LEU 14 -5.931 -3.278 6.688 97 HD13 LEU 14 HD13 LEU 14 -6.350 -3.177 4.978 98 HD21 LEU 14 HD21 LEU 14 -3.028 -2.173 3.795 99 HD22 LEU 14 HD22 LEU 14 -4.297 -1.012 4.191 100 HD23 LEU 14 HD23 LEU 14 -4.699 -2.496 3.327 101 H ASN 15 HN ASN 15 -1.908 -2.452 8.993 102 HA ASN 15 HA ASN 15 -1.152 0.205 9.462 103 HB2 ASN 15 HB2 ASN 15 -0.764 -0.478 11.782 104 HB3 ASN 15 HB1 ASN 15 -2.265 -1.161 11.170 105 HD21 ASN 15 HD21 ASN 15 -0.496 -1.981 13.377 106 HD22 ASN 15 HD22 ASN 15 -0.102 -3.638 13.055 107 H LYS 16 HN LYS 16 0.746 -2.722 8.970 108 HA LYS 16 HA LYS 16 3.140 -1.583 10.065 109 HB2 LYS 16 HB2 LYS 16 2.602 -4.084 8.478 110 HB3 LYS 16 HB1 LYS 16 4.216 -3.621 8.999 111 HG2 LYS 16 HG2 LYS 16 1.872 -4.108 10.828 112 HG3 LYS 16 HG1 LYS 16 3.185 -5.246 10.511 113 HD2 LYS 16 HD2 LYS 16 4.793 -3.588 11.381 114 HD3 LYS 16 HD1 LYS 16 3.446 -2.511 11.756 115 HE2 LYS 16 HE2 LYS 16 2.528 -4.211 13.268 116 HE3 LYS 16 HE1 LYS 16 3.897 -5.261 12.910 117 HZ1 LYS 16 HZ1 LYS 16 4.262 -4.089 14.972 118 HZ2 LYS 16 HZ2 LYS 16 4.030 -2.593 14.209 119 HZ3 LYS 16 HZ3 LYS 16 5.373 -3.546 13.810 120 H ILE 17 HN ILE 17 2.008 -2.277 6.763 121 HA ILE 17 HA ILE 17 4.413 -1.248 5.618 122 HB ILE 17 HB ILE 17 3.126 -1.354 3.444 123 HG12 ILE 17 HG12 ILE 17 1.127 -2.890 5.096 124 HG13 ILE 17 HG11 ILE 17 0.849 -1.262 4.477 125 HG21 ILE 17 HG21 ILE 17 4.693 -3.049 4.119 126 HG22 ILE 17 HG22 ILE 17 3.298 -3.789 3.333 127 HG23 ILE 17 HG23 ILE 17 3.450 -3.837 5.089 128 HD11 ILE 17 HD11 ILE 17 1.420 -3.685 2.786 129 HD12 ILE 17 HD12 ILE 17 1.031 -2.065 2.206 130 HD13 ILE 17 HD13 ILE 17 -0.182 -3.001 3.085 131 H ALA 18 HN ALA 18 1.126 0.013 5.946 132 HA ALA 18 HA ALA 18 1.480 2.386 4.506 133 HB1 ALA 18 HB1 ALA 18 -0.700 1.518 5.256 134 HB2 ALA 18 HB2 ALA 18 -0.463 3.215 5.669 135 HB3 ALA 18 HB3 ALA 18 -0.284 1.971 6.907 136 H ALA 19 HN ALA 19 1.871 1.755 7.986 137 HA ALA 19 HA ALA 19 2.681 4.426 8.566 138 HB1 ALA 19 HB1 ALA 19 3.260 3.580 10.778 139 HB2 ALA 19 HB2 ALA 19 3.065 1.922 10.206 140 HB3 ALA 19 HB3 ALA 19 1.671 3.003 10.275 141 H GLN 20 HN GLN 20 4.288 1.639 7.350 142 HA GLN 20 HA GLN 20 6.900 2.167 8.272 143 HB2 GLN 20 HB2 GLN 20 6.244 0.008 7.304 144 HB3 GLN 20 HB1 GLN 20 6.054 0.767 5.729 145 HG2 GLN 20 HG2 GLN 20 8.394 1.252 5.614 146 HG3 GLN 20 HG1 GLN 20 8.634 0.692 7.266 147 HE21 GLN 20 HE21 GLN 20 10.172 -0.787 6.626 148 HE22 GLN 20 HE22 GLN 20 9.758 -2.251 5.797 149 H TYR 21 HN TYR 21 5.305 3.120 5.201 150 HA TYR 21 HA TYR 21 7.532 4.980 4.786 151 HB2 TYR 21 HB2 TYR 21 6.205 5.380 2.535 152 HB3 TYR 21 HB1 TYR 21 7.301 4.023 2.730 153 HD1 TYR 21 HD2 TYR 21 3.679 4.735 3.436 154 HD2 TYR 21 HD1 TYR 21 6.580 2.065 1.838 155 HE1 TYR 21 HE2 TYR 21 1.888 3.182 2.774 156 HE2 TYR 21 HE1 TYR 21 4.800 0.515 1.168 157 HH TYR 21 HH TYR 21 1.557 1.361 1.080 158 H GLY 22 HN GLY 22 4.773 5.030 6.406 159 HA2 GLY 22 HA2 GLY 22 3.910 6.822 7.562 160 HA3 GLY 22 HA1 GLY 22 4.971 7.874 6.644 161 H VAL 23 HN VAL 23 2.348 5.708 5.556 162 HA VAL 23 HA VAL 23 0.814 8.119 4.865 163 HB VAL 23 HB VAL 23 1.971 6.788 2.886 164 HG11 VAL 23 HG11 VAL 23 0.401 5.186 1.849 165 HG12 VAL 23 HG12 VAL 23 -0.551 5.212 3.337 166 HG13 VAL 23 HG13 VAL 23 1.106 4.611 3.359 167 HG21 VAL 23 HG21 VAL 23 0.137 7.527 1.398 168 HG22 VAL 23 HG22 VAL 23 0.666 8.753 2.549 169 HG23 VAL 23 HG23 VAL 23 -0.832 7.869 2.833 170 H SER 24 HN SER 24 -1.580 7.456 4.437 171 HA SER 24 HA SER 24 -2.312 5.851 6.743 172 HB2 SER 24 HB2 SER 24 -3.314 8.061 6.583 173 HB3 SER 24 HB1 SER 24 -3.986 7.672 5.000 174 HG SER 24 HG SER 24 -5.004 7.180 7.437 175 H VAL 25 HN VAL 25 -3.656 4.166 6.744 176 HA VAL 25 HA VAL 25 -3.721 2.362 4.617 177 HB VAL 25 HB VAL 25 -5.591 2.557 6.984 178 HG11 VAL 25 HG11 VAL 25 -6.485 1.084 5.288 179 HG12 VAL 25 HG12 VAL 25 -5.912 0.144 6.664 180 HG13 VAL 25 HG13 VAL 25 -4.948 0.229 5.189 181 HG21 VAL 25 HG21 VAL 25 -4.079 0.950 8.053 182 HG22 VAL 25 HG22 VAL 25 -3.257 2.463 7.671 183 HG23 VAL 25 HG23 VAL 25 -3.003 1.042 6.659 184 H ALA 26 HN ALA 26 -5.865 4.968 5.511 185 HA ALA 26 HA ALA 26 -8.112 4.201 3.997 186 HB1 ALA 26 HB1 ALA 26 -7.228 6.975 4.780 187 HB2 ALA 26 HB2 ALA 26 -8.207 5.887 5.763 188 HB3 ALA 26 HB3 ALA 26 -8.842 6.512 4.242 189 H ASN 27 HN ASN 27 -5.352 6.314 3.179 190 HA ASN 27 HA ASN 27 -6.405 6.975 0.628 191 HB2 ASN 27 HB2 ASN 27 -4.084 7.803 0.105 192 HB3 ASN 27 HB1 ASN 27 -4.854 8.537 1.503 193 HD21 ASN 27 HD21 ASN 27 -2.537 6.102 0.501 194 HD22 ASN 27 HD22 ASN 27 -1.589 6.162 1.940 195 H LEU 28 HN LEU 28 -3.968 4.522 1.621 196 HA LEU 28 HA LEU 28 -3.543 3.848 -1.105 197 HB2 LEU 28 HB2 LEU 28 -2.488 1.729 -0.231 198 HB3 LEU 28 HB1 LEU 28 -1.746 3.251 0.194 199 HG LEU 28 HG LEU 28 -3.062 2.987 2.423 200 HD11 LEU 28 HD11 LEU 28 -4.403 1.055 1.662 201 HD12 LEU 28 HD12 LEU 28 -3.438 0.690 3.091 202 HD13 LEU 28 HD13 LEU 28 -2.921 0.109 1.507 203 HD21 LEU 28 HD21 LEU 28 -1.138 1.968 3.368 204 HD22 LEU 28 HD22 LEU 28 -0.580 2.886 1.960 205 HD23 LEU 28 HD23 LEU 28 -0.759 1.133 1.861 206 H ARG 29 HN ARG 29 -5.827 2.685 1.269 207 HA ARG 29 HA ARG 29 -6.875 0.554 -0.237 208 HB2 ARG 29 HB2 ARG 29 -8.044 2.391 1.829 209 HB3 ARG 29 HB1 ARG 29 -9.059 1.219 1.000 210 HG2 ARG 29 HG2 ARG 29 -7.867 -0.604 1.898 211 HG3 ARG 29 HG1 ARG 29 -6.544 0.432 2.445 212 HD2 ARG 29 HD2 ARG 29 -7.845 1.375 4.153 213 HD3 ARG 29 HD1 ARG 29 -9.350 0.755 3.466 214 HE ARG 29 HE ARG 29 -7.304 -0.879 4.822 215 HH11 ARG 29 HH11 ARG 29 -10.606 -0.343 3.776 216 HH12 ARG 29 HH12 ARG 29 -11.233 -1.725 4.636 217 HH21 ARG 29 HH21 ARG 29 -8.139 -2.674 5.988 218 HH22 ARG 29 HH22 ARG 29 -9.829 -3.049 5.878 219 H SER 30 HN SER 30 -7.332 4.027 -0.464 220 HA SER 30 HA SER 30 -9.694 3.920 -2.043 221 HB2 SER 30 HB2 SER 30 -9.072 5.861 -0.646 222 HB3 SER 30 HB1 SER 30 -7.713 6.184 -1.721 223 HG SER 30 HG SER 30 -10.398 6.701 -2.058 224 H TRP 31 HN TRP 31 -6.237 4.400 -2.933 225 HA TRP 31 HA TRP 31 -7.081 4.544 -5.709 226 HB2 TRP 31 HB2 TRP 31 -4.568 4.800 -6.159 227 HB3 TRP 31 HB1 TRP 31 -5.434 6.124 -5.381 228 HD1 TRP 31 HD1 TRP 31 -3.490 3.019 -4.056 229 HE1 TRP 31 HE1 TRP 31 -1.938 3.823 -2.170 230 HE3 TRP 31 HE3 TRP 31 -4.686 7.990 -4.064 231 HZ2 TRP 31 HZ2 TRP 31 -1.293 6.237 -0.871 232 HZ3 TRP 31 HZ3 TRP 31 -3.556 9.477 -2.472 233 HH2 TRP 31 HH2 TRP 31 -1.895 8.619 -0.906 234 H ASN 32 HN ASN 32 -6.426 2.028 -3.695 235 HA ASN 32 HA ASN 32 -5.334 0.403 -5.864 236 HB2 ASN 32 HB2 ASN 32 -5.678 -0.040 -2.930 237 HB3 ASN 32 HB1 ASN 32 -5.622 -1.442 -3.992 238 HD21 ASN 32 HD21 ASN 32 -3.865 1.184 -2.619 239 HD22 ASN 32 HD22 ASN 32 -2.289 0.692 -3.149 240 H GLY 33 HN GLY 33 -8.307 1.196 -4.360 241 HA2 GLY 33 HA2 GLY 33 -10.468 0.645 -4.926 242 HA3 GLY 33 HA1 GLY 33 -9.815 -0.139 -6.358 243 H ILE 34 HN ILE 34 -8.644 -1.111 -3.287 244 HA ILE 34 HA ILE 34 -10.358 -3.503 -3.318 245 HB ILE 34 HB ILE 34 -7.435 -3.569 -2.560 246 HG12 ILE 34 HG12 ILE 34 -8.589 -4.487 -5.198 247 HG13 ILE 34 HG11 ILE 34 -7.719 -2.970 -4.982 248 HG21 ILE 34 HG21 ILE 34 -9.403 -5.756 -3.225 249 HG22 ILE 34 HG22 ILE 34 -8.817 -5.332 -1.618 250 HG23 ILE 34 HG23 ILE 34 -7.703 -5.990 -2.816 251 HD11 ILE 34 HD11 ILE 34 -6.248 -4.660 -5.883 252 HD12 ILE 34 HD12 ILE 34 -6.619 -5.732 -4.532 253 HD13 ILE 34 HD13 ILE 34 -5.745 -4.228 -4.248 254 H SER 35 HN SER 35 -11.021 -4.182 -1.275 255 HA SER 35 HA SER 35 -10.457 -2.615 1.024 256 HB2 SER 35 HB2 SER 35 -11.358 -5.511 0.928 257 HB3 SER 35 HB1 SER 35 -11.562 -4.381 2.268 258 HG SER 35 HG SER 35 -12.725 -4.112 -0.316 259 H GLY 36 HN GLY 36 -8.447 -2.440 1.788 260 HA2 GLY 36 HA2 GLY 36 -6.362 -4.205 1.052 261 HA3 GLY 36 HA1 GLY 36 -6.233 -2.877 2.190 262 H ASP 37 HN ASP 37 -8.673 -5.025 3.077 263 HA ASP 37 HA ASP 37 -7.411 -5.833 5.445 264 HB2 ASP 37 HB2 ASP 37 -9.760 -7.079 3.998 265 HB3 ASP 37 HB1 ASP 37 -9.304 -7.414 5.667 266 H LEU 38 HN LEU 38 -7.707 -7.367 2.300 267 HA LEU 38 HA LEU 38 -6.063 -9.594 3.224 268 HB2 LEU 38 HB2 LEU 38 -6.496 -10.551 0.947 269 HB3 LEU 38 HB1 LEU 38 -7.905 -10.371 1.968 270 HG LEU 38 HG LEU 38 -7.266 -8.268 -0.079 271 HD11 LEU 38 HD11 LEU 38 -8.787 -10.823 -0.584 272 HD12 LEU 38 HD12 LEU 38 -7.206 -10.421 -1.252 273 HD13 LEU 38 HD13 LEU 38 -8.621 -9.471 -1.703 274 HD21 LEU 38 HD21 LEU 38 -9.014 -7.812 1.575 275 HD22 LEU 38 HD22 LEU 38 -9.841 -9.301 1.116 276 HD23 LEU 38 HD23 LEU 38 -9.695 -7.980 -0.044 277 H ILE 39 HN ILE 39 -4.097 -8.588 3.470 278 HA ILE 39 HA ILE 39 -2.764 -7.897 0.942 279 HB ILE 39 HB ILE 39 -2.480 -6.611 3.643 280 HG12 ILE 39 HG12 ILE 39 -2.935 -5.641 0.826 281 HG13 ILE 39 HG11 ILE 39 -3.993 -5.467 2.221 282 HG21 ILE 39 HG21 ILE 39 -0.220 -7.278 2.950 283 HG22 ILE 39 HG22 ILE 39 -0.433 -5.524 2.962 284 HG23 ILE 39 HG23 ILE 39 -0.446 -6.404 1.430 285 HD11 ILE 39 HD11 ILE 39 -2.327 -3.948 3.240 286 HD12 ILE 39 HD12 ILE 39 -2.979 -3.347 1.710 287 HD13 ILE 39 HD13 ILE 39 -1.369 -4.067 1.762 288 H PHE 40 HN PHE 40 -0.914 -8.969 0.486 289 HA PHE 40 HA PHE 40 0.312 -10.608 2.578 290 HB2 PHE 40 HB2 PHE 40 0.436 -12.536 1.038 291 HB3 PHE 40 HB1 PHE 40 -1.228 -12.098 1.407 292 HD1 PHE 40 HD1 PHE 40 -2.667 -11.140 -0.294 293 HD2 PHE 40 HD2 PHE 40 1.346 -12.238 -1.177 294 HE1 PHE 40 HE1 PHE 40 -3.160 -10.997 -2.700 295 HE2 PHE 40 HE2 PHE 40 0.861 -12.094 -3.581 296 HZ PHE 40 HZ PHE 40 -1.395 -11.474 -4.348 297 H VAL 41 HN VAL 41 2.464 -11.406 1.962 298 HA VAL 41 HA VAL 41 4.065 -9.335 0.892 299 HB VAL 41 HB VAL 41 4.800 -12.227 1.405 300 HG11 VAL 41 HG11 VAL 41 6.418 -11.158 -0.054 301 HG12 VAL 41 HG12 VAL 41 7.110 -11.397 1.549 302 HG13 VAL 41 HG13 VAL 41 6.555 -9.797 1.060 303 HG21 VAL 41 HG21 VAL 41 5.689 -11.398 3.539 304 HG22 VAL 41 HG22 VAL 41 3.947 -11.150 3.406 305 HG23 VAL 41 HG23 VAL 41 5.050 -9.796 3.171 306 H GLY 42 HN GLY 42 4.733 -8.935 -1.154 307 HA2 GLY 42 HA2 GLY 42 5.436 -9.680 -3.326 308 HA3 GLY 42 HA1 GLY 42 4.379 -11.073 -3.151 309 H GLN 43 HN GLN 43 2.366 -9.005 -1.999 310 HA GLN 43 HA GLN 43 1.001 -8.542 -4.479 311 HB2 GLN 43 HB2 GLN 43 -0.367 -9.024 -2.583 312 HB3 GLN 43 HB1 GLN 43 0.396 -7.762 -1.626 313 HG2 GLN 43 HG2 GLN 43 -0.655 -6.047 -2.886 314 HG3 GLN 43 HG1 GLN 43 -1.215 -7.199 -4.101 315 HE21 GLN 43 HE21 GLN 43 -1.713 -5.933 -0.908 316 HE22 GLN 43 HE22 GLN 43 -3.276 -6.630 -0.657 317 H LYS 44 HN LYS 44 1.108 -6.820 -5.743 318 HA LYS 44 HA LYS 44 2.714 -4.542 -4.899 319 HB2 LYS 44 HB2 LYS 44 3.010 -5.577 -7.143 320 HB3 LYS 44 HB1 LYS 44 1.362 -5.117 -7.544 321 HG2 LYS 44 HG2 LYS 44 2.132 -2.718 -7.029 322 HG3 LYS 44 HG1 LYS 44 3.765 -3.379 -7.167 323 HD2 LYS 44 HD2 LYS 44 1.604 -3.501 -9.271 324 HD3 LYS 44 HD1 LYS 44 3.025 -2.455 -9.295 325 HE2 LYS 44 HE2 LYS 44 4.491 -4.274 -9.594 326 HE3 LYS 44 HE1 LYS 44 3.249 -5.451 -9.160 327 HZ1 LYS 44 HZ1 LYS 44 3.678 -5.352 -11.566 328 HZ2 LYS 44 HZ2 LYS 44 3.174 -3.730 -11.583 329 HZ3 LYS 44 HZ3 LYS 44 2.075 -4.959 -11.176 330 H LEU 45 HN LEU 45 1.631 -3.080 -3.681 331 HA LEU 45 HA LEU 45 -1.060 -2.362 -4.610 332 HB2 LEU 45 HB2 LEU 45 -1.843 -2.059 -2.433 333 HB3 LEU 45 HB1 LEU 45 -0.893 -3.523 -2.345 334 HG LEU 45 HG LEU 45 -0.500 -2.389 -0.355 335 HD11 LEU 45 HD11 LEU 45 1.838 -1.919 -0.340 336 HD12 LEU 45 HD12 LEU 45 1.842 -1.698 -2.089 337 HD13 LEU 45 HD13 LEU 45 1.505 -3.288 -1.402 338 HD21 LEU 45 HD21 LEU 45 0.156 -0.067 -0.148 339 HD22 LEU 45 HD22 LEU 45 -1.393 -0.214 -0.981 340 HD23 LEU 45 HD23 LEU 45 0.072 0.126 -1.899 341 H ILE 46 HN ILE 46 -1.604 -0.227 -4.826 342 HA ILE 46 HA ILE 46 0.524 1.494 -5.585 343 HB ILE 46 HB ILE 46 -2.369 2.263 -5.148 344 HG12 ILE 46 HG12 ILE 46 -2.250 0.392 -6.718 345 HG13 ILE 46 HG11 ILE 46 -2.680 1.884 -7.554 346 HG21 ILE 46 HG21 ILE 46 -0.873 4.171 -5.334 347 HG22 ILE 46 HG22 ILE 46 -1.905 4.045 -6.759 348 HG23 ILE 46 HG23 ILE 46 -0.221 3.527 -6.841 349 HD11 ILE 46 HD11 ILE 46 -0.388 2.095 -8.353 350 HD12 ILE 46 HD12 ILE 46 -1.097 0.557 -8.842 351 HD13 ILE 46 HD13 ILE 46 0.052 0.615 -7.505 352 H VAL 47 HN VAL 47 1.494 3.135 -4.553 353 HA VAL 47 HA VAL 47 0.228 4.358 -2.249 354 HB VAL 47 HB VAL 47 1.600 2.630 -1.210 355 HG11 VAL 47 HG11 VAL 47 4.055 2.677 -1.375 356 HG12 VAL 47 HG12 VAL 47 3.933 3.905 -2.635 357 HG13 VAL 47 HG13 VAL 47 3.285 2.290 -2.913 358 HG21 VAL 47 HG21 VAL 47 2.999 4.115 0.229 359 HG22 VAL 47 HG22 VAL 47 1.323 4.627 0.039 360 HG23 VAL 47 HG23 VAL 47 2.604 5.446 -0.861 361 H LYS 48 HN LYS 48 0.094 6.352 -2.956 362 HA LYS 48 HA LYS 48 2.287 8.065 -2.758 363 HB2 LYS 48 HB2 LYS 48 2.955 7.302 -4.962 364 HB3 LYS 48 HB1 LYS 48 1.354 7.641 -5.606 365 HG2 LYS 48 HG2 LYS 48 2.887 9.360 -6.288 366 HG3 LYS 48 HG1 LYS 48 1.724 10.039 -5.148 367 HD2 LYS 48 HD2 LYS 48 3.377 9.810 -3.348 368 HD3 LYS 48 HD1 LYS 48 4.537 9.156 -4.506 369 HE2 LYS 48 HE2 LYS 48 4.476 11.245 -5.759 370 HE3 LYS 48 HE1 LYS 48 3.292 11.898 -4.627 371 HZ1 LYS 48 HZ1 LYS 48 4.919 11.720 -2.861 372 HZ2 LYS 48 HZ2 LYS 48 5.532 12.660 -4.129 373 HZ3 LYS 48 HZ3 LYS 48 6.053 11.058 -3.934 374 H LYS 49 HN LYS 49 1.393 9.798 -1.888 375 HA LYS 49 HA LYS 49 -1.455 10.261 -2.276 376 HB2 LYS 49 HB2 LYS 49 -0.093 10.272 -0.030 377 HB3 LYS 49 HB1 LYS 49 0.309 11.914 -0.500 378 HG2 LYS 49 HG2 LYS 49 -2.468 10.828 -0.063 379 HG3 LYS 49 HG1 LYS 49 -1.570 11.865 1.040 380 HD2 LYS 49 HD2 LYS 49 -1.505 13.589 -0.790 381 HD3 LYS 49 HD1 LYS 49 -2.614 12.561 -1.699 382 HE2 LYS 49 HE2 LYS 49 -3.969 14.151 -0.611 383 HE3 LYS 49 HE1 LYS 49 -4.142 12.661 0.318 384 HZ1 LYS 49 HZ1 LYS 49 -2.416 14.980 1.012 385 HZ2 LYS 49 HZ2 LYS 49 -2.486 13.531 1.891 386 HZ3 LYS 49 HZ3 LYS 49 -3.855 14.530 1.792 387 H GLY 50 HN GLY 50 -1.987 11.468 -4.006 388 HA2 GLY 50 HA2 GLY 50 -2.326 13.819 -4.543 389 HA3 GLY 50 HA1 GLY 50 -0.618 14.070 -4.231 390 H SER 51 HN SER 51 -2.928 13.643 -6.570 391 HA SER 51 HA SER 51 -1.173 12.616 -8.615 392 HB2 SER 51 HB2 SER 51 -3.885 13.956 -8.844 393 HB3 SER 51 HB1 SER 51 -3.025 13.155 -10.159 394 HG SER 51 HG SER 51 -4.458 12.082 -8.054 Start of MODEL 10 1 H GLY 1 HT1 GLY 1 1.892 14.334 -10.189 2 HA2 GLY 1 HA1 GLY 1 3.685 13.777 -8.621 3 HA3 GLY 1 HA2 GLY 1 2.447 13.209 -7.507 4 H THR 2 HN THR 2 4.571 11.648 -8.596 5 HA THR 2 HA THR 2 3.448 10.029 -10.716 6 HB THR 2 HB THR 2 5.979 9.649 -9.099 7 HG1 THR 2 HG1 THR 2 6.413 11.402 -10.288 8 HG21 THR 2 HG21 THR 2 5.089 8.350 -11.683 9 HG22 THR 2 HG22 THR 2 5.209 7.557 -10.114 10 HG23 THR 2 HG23 THR 2 6.664 8.144 -10.917 11 H ASN 3 HN ASN 3 1.866 8.664 -10.209 12 HA ASN 3 HA ASN 3 1.345 7.563 -7.695 13 HB2 ASN 3 HB2 ASN 3 -0.048 5.887 -8.918 14 HB3 ASN 3 HB1 ASN 3 -0.383 7.550 -9.384 15 HD21 ASN 3 HD21 ASN 3 0.850 4.484 -10.389 16 HD22 ASN 3 HD22 ASN 3 1.002 4.856 -12.068 17 H THR 4 HN THR 4 2.407 6.078 -6.535 18 HA THR 4 HA THR 4 4.429 4.504 -7.962 19 HB THR 4 HB THR 4 4.312 5.389 -5.066 20 HG1 THR 4 HG1 THR 4 4.801 6.893 -7.033 21 HG21 THR 4 HG21 THR 4 6.539 4.042 -6.608 22 HG22 THR 4 HG22 THR 4 5.575 3.311 -5.324 23 HG23 THR 4 HG23 THR 4 6.658 4.653 -4.958 24 H TYR 5 HN TYR 5 4.709 2.292 -7.238 25 HA TYR 5 HA TYR 5 2.596 1.346 -5.447 26 HB2 TYR 5 HB2 TYR 5 2.801 -0.881 -6.841 27 HB3 TYR 5 HB1 TYR 5 1.748 0.417 -7.382 28 HD1 TYR 5 HD2 TYR 5 5.314 -0.665 -7.818 29 HD2 TYR 5 HD1 TYR 5 1.809 0.953 -9.592 30 HE1 TYR 5 HE2 TYR 5 6.440 -0.636 -10.001 31 HE2 TYR 5 HE1 TYR 5 2.917 0.982 -11.783 32 HH TYR 5 HH TYR 5 5.977 -0.565 -12.313 33 H TYR 6 HN TYR 6 3.147 -0.455 -4.182 34 HA TYR 6 HA TYR 6 6.041 -0.899 -3.923 35 HB2 TYR 6 HB2 TYR 6 5.778 0.592 -2.201 36 HB3 TYR 6 HB1 TYR 6 4.080 0.216 -1.987 37 HD1 TYR 6 HD1 TYR 6 7.513 -0.729 -1.040 38 HD2 TYR 6 HD2 TYR 6 3.368 -1.477 -0.477 39 HE1 TYR 6 HE1 TYR 6 8.018 -2.002 1.009 40 HE2 TYR 6 HE2 TYR 6 3.854 -2.750 1.557 41 HH TYR 6 HH TYR 6 6.658 -2.587 3.190 42 H THR 7 HN THR 7 6.630 -2.973 -3.455 43 HA THR 7 HA THR 7 4.571 -4.992 -3.436 44 HB THR 7 HB THR 7 6.787 -6.415 -2.959 45 HG1 THR 7 HG1 THR 7 8.523 -5.363 -4.134 46 HG21 THR 7 HG21 THR 7 6.020 -5.257 -5.634 47 HG22 THR 7 HG22 THR 7 5.296 -6.670 -4.862 48 HG23 THR 7 HG23 THR 7 6.984 -6.712 -5.377 49 H VAL 8 HN VAL 8 3.637 -5.725 -1.701 50 HA VAL 8 HA VAL 8 4.104 -4.722 0.857 51 HB VAL 8 HB VAL 8 2.776 -7.346 0.158 52 HG11 VAL 8 HG11 VAL 8 3.321 -7.151 2.525 53 HG12 VAL 8 HG12 VAL 8 1.579 -7.034 2.272 54 HG13 VAL 8 HG13 VAL 8 2.523 -5.579 2.589 55 HG21 VAL 8 HG21 VAL 8 1.806 -5.441 -1.078 56 HG22 VAL 8 HG22 VAL 8 1.557 -4.591 0.445 57 HG23 VAL 8 HG23 VAL 8 0.684 -6.087 0.121 58 H LYS 9 HN LYS 9 5.561 -5.154 2.335 59 HA LYS 9 HA LYS 9 7.435 -7.355 1.931 60 HB2 LYS 9 HB2 LYS 9 7.721 -4.670 2.758 61 HB3 LYS 9 HB1 LYS 9 8.088 -5.661 4.161 62 HG2 LYS 9 HG2 LYS 9 10.143 -5.319 3.092 63 HG3 LYS 9 HG1 LYS 9 9.663 -6.958 2.653 64 HD2 LYS 9 HD2 LYS 9 9.107 -4.576 0.901 65 HD3 LYS 9 HD1 LYS 9 10.596 -5.510 0.791 66 HE2 LYS 9 HE2 LYS 9 9.351 -7.503 0.225 67 HE3 LYS 9 HE1 LYS 9 7.821 -6.658 0.459 68 HZ1 LYS 9 HZ1 LYS 9 8.325 -5.236 -1.385 69 HZ2 LYS 9 HZ2 LYS 9 8.477 -6.851 -1.884 70 HZ3 LYS 9 HZ3 LYS 9 9.862 -5.925 -1.568 71 H SER 10 HN SER 10 8.337 -8.051 4.295 72 HA SER 10 HA SER 10 6.394 -9.477 5.684 73 HB2 SER 10 HB2 SER 10 8.958 -8.419 6.888 74 HB3 SER 10 HB1 SER 10 8.093 -9.900 7.310 75 HG SER 10 HG SER 10 9.390 -10.793 5.908 76 H GLY 11 HN GLY 11 4.828 -7.685 5.630 77 HA2 GLY 11 HA2 GLY 11 4.288 -6.590 8.184 78 HA3 GLY 11 HA1 GLY 11 4.868 -5.335 7.079 79 H ASP 12 HN ASP 12 2.996 -8.215 6.640 80 HA ASP 12 HA ASP 12 1.591 -7.506 4.399 81 HB2 ASP 12 HB2 ASP 12 0.202 -9.470 4.873 82 HB3 ASP 12 HB1 ASP 12 1.921 -9.781 5.113 83 H THR 13 HN THR 13 1.020 -5.842 7.138 84 HA THR 13 HA THR 13 -1.907 -5.953 6.802 85 HB THR 13 HB THR 13 -0.453 -5.194 9.350 86 HG1 THR 13 HG1 THR 13 -1.106 -7.671 8.262 87 HG21 THR 13 HG21 THR 13 -2.645 -5.588 10.387 88 HG22 THR 13 HG22 THR 13 -3.331 -5.947 8.802 89 HG23 THR 13 HG23 THR 13 -2.735 -4.326 9.159 90 H LEU 14 HN LEU 14 -3.032 -3.963 6.988 91 HA LEU 14 HA LEU 14 -1.986 -2.088 5.253 92 HB2 LEU 14 HB2 LEU 14 -4.207 -1.769 7.263 93 HB3 LEU 14 HB1 LEU 14 -3.908 -0.683 5.921 94 HG LEU 14 HG LEU 14 -4.516 -3.603 5.519 95 HD11 LEU 14 HD11 LEU 14 -6.820 -2.905 5.040 96 HD12 LEU 14 HD12 LEU 14 -6.427 -1.270 5.577 97 HD13 LEU 14 HD13 LEU 14 -6.380 -2.611 6.723 98 HD21 LEU 14 HD21 LEU 14 -5.088 -2.870 3.277 99 HD22 LEU 14 HD22 LEU 14 -3.436 -2.392 3.673 100 HD23 LEU 14 HD23 LEU 14 -4.735 -1.199 3.715 101 H ASN 15 HN ASN 15 -2.318 -1.862 8.777 102 HA ASN 15 HA ASN 15 -1.379 0.796 8.920 103 HB2 ASN 15 HB2 ASN 15 -1.073 0.273 11.384 104 HB3 ASN 15 HB1 ASN 15 -2.692 0.063 10.735 105 HD21 ASN 15 HD21 ASN 15 -3.321 -1.347 12.323 106 HD22 ASN 15 HD22 ASN 15 -2.709 -2.961 12.450 107 H LYS 16 HN LYS 16 0.309 -2.262 8.810 108 HA LYS 16 HA LYS 16 2.728 -1.233 9.972 109 HB2 LYS 16 HB2 LYS 16 2.219 -3.601 10.133 110 HB3 LYS 16 HB1 LYS 16 2.204 -3.747 8.383 111 HG2 LYS 16 HG2 LYS 16 4.258 -4.629 9.369 112 HG3 LYS 16 HG1 LYS 16 4.573 -3.277 8.284 113 HD2 LYS 16 HD2 LYS 16 5.939 -3.089 10.277 114 HD3 LYS 16 HD1 LYS 16 4.758 -1.781 10.227 115 HE2 LYS 16 HE2 LYS 16 3.346 -2.994 11.812 116 HE3 LYS 16 HE1 LYS 16 4.510 -4.319 11.843 117 HZ1 LYS 16 HZ1 LYS 16 6.151 -2.841 12.778 118 HZ2 LYS 16 HZ2 LYS 16 4.757 -2.816 13.742 119 HZ3 LYS 16 HZ3 LYS 16 5.083 -1.526 12.687 120 H ILE 17 HN ILE 17 1.660 -1.986 6.676 121 HA ILE 17 HA ILE 17 4.139 -1.142 5.537 122 HB ILE 17 HB ILE 17 2.841 -1.247 3.360 123 HG12 ILE 17 HG12 ILE 17 0.788 -2.612 5.093 124 HG13 ILE 17 HG11 ILE 17 0.578 -1.032 4.336 125 HG21 ILE 17 HG21 ILE 17 2.925 -3.692 3.322 126 HG22 ILE 17 HG22 ILE 17 3.094 -3.685 5.077 127 HG23 ILE 17 HG23 ILE 17 4.352 -2.971 4.068 128 HD11 ILE 17 HD11 ILE 17 -0.504 -2.884 3.101 129 HD12 ILE 17 HD12 ILE 17 1.099 -3.584 2.825 130 HD13 ILE 17 HD13 ILE 17 0.695 -2.006 2.149 131 H ALA 18 HN ALA 18 0.947 0.325 5.867 132 HA ALA 18 HA ALA 18 1.372 2.653 4.393 133 HB1 ALA 18 HB1 ALA 18 -0.225 2.374 6.926 134 HB2 ALA 18 HB2 ALA 18 -0.803 1.979 5.307 135 HB3 ALA 18 HB3 ALA 18 -0.396 3.647 5.718 136 H ALA 19 HN ALA 19 1.951 2.060 7.852 137 HA ALA 19 HA ALA 19 3.003 4.656 8.337 138 HB1 ALA 19 HB1 ALA 19 2.022 3.279 10.112 139 HB2 ALA 19 HB2 ALA 19 3.667 3.781 10.507 140 HB3 ALA 19 HB3 ALA 19 3.356 2.136 9.956 141 H GLN 20 HN GLN 20 4.315 1.735 7.071 142 HA GLN 20 HA GLN 20 7.022 2.059 7.736 143 HB2 GLN 20 HB2 GLN 20 6.124 -0.015 6.813 144 HB3 GLN 20 HB1 GLN 20 5.819 0.783 5.276 145 HG2 GLN 20 HG2 GLN 20 8.221 1.133 4.980 146 HG3 GLN 20 HG1 GLN 20 8.524 0.339 6.525 147 HE21 GLN 20 HE21 GLN 20 9.776 -1.263 5.568 148 HE22 GLN 20 HE22 GLN 20 9.070 -2.537 4.638 149 H TYR 21 HN TYR 21 5.189 3.324 4.946 150 HA TYR 21 HA TYR 21 7.566 4.930 4.306 151 HB2 TYR 21 HB2 TYR 21 6.085 5.393 2.139 152 HB3 TYR 21 HB1 TYR 21 7.168 4.018 2.274 153 HD1 TYR 21 HD1 TYR 21 3.597 4.873 3.074 154 HD2 TYR 21 HD2 TYR 21 6.368 1.996 1.607 155 HE1 TYR 21 HE1 TYR 21 1.736 3.351 2.542 156 HE2 TYR 21 HE2 TYR 21 4.519 0.474 1.077 157 HH TYR 21 HH TYR 21 2.195 0.081 1.781 158 H GLY 22 HN GLY 22 4.982 5.246 6.127 159 HA2 GLY 22 HA2 GLY 22 4.300 7.142 7.238 160 HA3 GLY 22 HA1 GLY 22 5.326 8.087 6.175 161 H VAL 23 HN VAL 23 2.542 5.981 5.459 162 HA VAL 23 HA VAL 23 1.043 8.382 4.665 163 HB VAL 23 HB VAL 23 2.095 6.874 2.745 164 HG11 VAL 23 HG11 VAL 23 1.156 4.773 3.395 165 HG12 VAL 23 HG12 VAL 23 0.430 5.275 1.866 166 HG13 VAL 23 HG13 VAL 23 -0.473 5.444 3.374 167 HG21 VAL 23 HG21 VAL 23 0.831 8.882 2.359 168 HG22 VAL 23 HG22 VAL 23 -0.679 8.027 2.668 169 HG23 VAL 23 HG23 VAL 23 0.294 7.613 1.258 170 H SER 24 HN SER 24 -1.402 7.642 4.301 171 HA SER 24 HA SER 24 -2.051 6.217 6.762 172 HB2 SER 24 HB2 SER 24 -2.964 8.498 6.487 173 HB3 SER 24 HB1 SER 24 -3.825 7.967 5.042 174 HG SER 24 HG SER 24 -4.757 7.918 7.438 175 H VAL 25 HN VAL 25 -3.486 4.584 6.881 176 HA VAL 25 HA VAL 25 -3.629 2.676 4.871 177 HB VAL 25 HB VAL 25 -5.497 3.112 7.211 178 HG11 VAL 25 HG11 VAL 25 -5.074 0.672 5.497 179 HG12 VAL 25 HG12 VAL 25 -6.540 1.647 5.610 180 HG13 VAL 25 HG13 VAL 25 -5.998 0.705 6.999 181 HG21 VAL 25 HG21 VAL 25 -4.121 1.454 8.360 182 HG22 VAL 25 HG22 VAL 25 -3.168 2.860 7.887 183 HG23 VAL 25 HG23 VAL 25 -3.050 1.363 6.960 184 H ALA 26 HN ALA 26 -5.756 5.351 5.669 185 HA ALA 26 HA ALA 26 -7.986 4.557 4.158 186 HB1 ALA 26 HB1 ALA 26 -8.749 6.858 4.390 187 HB2 ALA 26 HB2 ALA 26 -7.138 7.358 4.906 188 HB3 ALA 26 HB3 ALA 26 -8.087 6.262 5.912 189 H ASN 27 HN ASN 27 -5.242 6.707 3.265 190 HA ASN 27 HA ASN 27 -6.299 7.297 0.711 191 HB2 ASN 27 HB2 ASN 27 -3.959 7.968 0.077 192 HB3 ASN 27 HB1 ASN 27 -4.613 8.786 1.487 193 HD21 ASN 27 HD21 ASN 27 -2.477 6.236 0.419 194 HD22 ASN 27 HD22 ASN 27 -1.474 6.243 1.820 195 H LEU 28 HN LEU 28 -3.941 4.780 1.722 196 HA LEU 28 HA LEU 28 -3.812 3.847 -0.964 197 HB2 LEU 28 HB2 LEU 28 -2.770 1.770 -0.047 198 HB3 LEU 28 HB1 LEU 28 -1.930 3.273 0.245 199 HG LEU 28 HG LEU 28 -3.120 3.135 2.582 200 HD11 LEU 28 HD11 LEU 28 -3.407 0.843 3.348 201 HD12 LEU 28 HD12 LEU 28 -3.038 0.234 1.733 202 HD13 LEU 28 HD13 LEU 28 -4.502 1.181 2.009 203 HD21 LEU 28 HD21 LEU 28 -0.860 1.257 1.950 204 HD22 LEU 28 HD22 LEU 28 -1.118 2.202 3.418 205 HD23 LEU 28 HD23 LEU 28 -0.671 3.012 1.909 206 H ARG 29 HN ARG 29 -5.919 3.147 1.698 207 HA ARG 29 HA ARG 29 -7.346 0.980 0.714 208 HB2 ARG 29 HB2 ARG 29 -7.685 2.919 2.714 209 HB3 ARG 29 HB1 ARG 29 -9.115 3.051 1.704 210 HG2 ARG 29 HG2 ARG 29 -9.638 1.553 3.440 211 HG3 ARG 29 HG1 ARG 29 -9.415 0.574 1.990 212 HD2 ARG 29 HD2 ARG 29 -7.319 1.032 4.103 213 HD3 ARG 29 HD1 ARG 29 -8.358 -0.389 4.024 214 HE ARG 29 HE ARG 29 -5.994 0.069 2.536 215 HH11 ARG 29 HH11 ARG 29 -9.155 -1.393 2.329 216 HH12 ARG 29 HH12 ARG 29 -8.725 -2.443 1.013 217 HH21 ARG 29 HH21 ARG 29 -5.403 -1.350 0.836 218 HH22 ARG 29 HH22 ARG 29 -6.580 -2.447 0.193 219 H SER 30 HN SER 30 -7.443 4.370 -0.215 220 HA SER 30 HA SER 30 -9.909 4.147 -1.642 221 HB2 SER 30 HB2 SER 30 -7.890 6.391 -1.666 222 HB3 SER 30 HB1 SER 30 -9.577 6.489 -2.170 223 HG SER 30 HG SER 30 -8.793 5.726 0.451 224 H TRP 31 HN TRP 31 -6.477 4.375 -2.660 225 HA TRP 31 HA TRP 31 -7.399 4.457 -5.423 226 HB2 TRP 31 HB2 TRP 31 -4.919 4.697 -5.966 227 HB3 TRP 31 HB1 TRP 31 -5.702 6.034 -5.126 228 HD1 TRP 31 HD1 TRP 31 -4.050 2.822 -3.697 229 HE1 TRP 31 HE1 TRP 31 -2.264 3.552 -2.003 230 HE3 TRP 31 HE3 TRP 31 -4.465 7.897 -4.174 231 HZ2 TRP 31 HZ2 TRP 31 -1.181 5.927 -0.997 232 HZ3 TRP 31 HZ3 TRP 31 -3.000 9.324 -2.805 233 HH2 TRP 31 HH2 TRP 31 -1.400 8.358 -1.248 234 H ASN 32 HN ASN 32 -6.782 1.970 -3.349 235 HA ASN 32 HA ASN 32 -5.511 0.317 -5.403 236 HB2 ASN 32 HB2 ASN 32 -5.960 -0.005 -2.474 237 HB3 ASN 32 HB1 ASN 32 -5.834 -1.461 -3.456 238 HD21 ASN 32 HD21 ASN 32 -4.173 1.272 -2.163 239 HD22 ASN 32 HD22 ASN 32 -2.576 0.784 -2.627 240 H GLY 33 HN GLY 33 -8.606 0.891 -3.963 241 HA2 GLY 33 HA2 GLY 33 -10.698 0.197 -4.615 242 HA3 GLY 33 HA1 GLY 33 -9.947 -0.452 -6.064 243 H ILE 34 HN ILE 34 -8.868 -1.526 -2.954 244 HA ILE 34 HA ILE 34 -10.426 -4.002 -3.252 245 HB ILE 34 HB ILE 34 -8.152 -4.825 -1.958 246 HG12 ILE 34 HG12 ILE 34 -7.202 -3.284 -4.366 247 HG13 ILE 34 HG11 ILE 34 -7.102 -2.649 -2.726 248 HG21 ILE 34 HG21 ILE 34 -7.694 -6.061 -4.056 249 HG22 ILE 34 HG22 ILE 34 -8.950 -5.099 -4.838 250 HG23 ILE 34 HG23 ILE 34 -9.361 -6.163 -3.489 251 HD11 ILE 34 HD11 ILE 34 -5.808 -5.173 -3.719 252 HD12 ILE 34 HD12 ILE 34 -5.716 -4.543 -2.074 253 HD13 ILE 34 HD13 ILE 34 -4.998 -3.638 -3.409 254 H SER 35 HN SER 35 -10.717 -5.217 -1.325 255 HA SER 35 HA SER 35 -10.942 -3.790 1.107 256 HB2 SER 35 HB2 SER 35 -10.862 -6.770 0.574 257 HB3 SER 35 HB1 SER 35 -11.406 -6.012 2.073 258 HG SER 35 HG SER 35 -13.031 -6.631 0.364 259 H GLY 36 HN GLY 36 -9.753 -4.574 3.127 260 HA2 GLY 36 HA2 GLY 36 -6.904 -4.326 2.467 261 HA3 GLY 36 HA1 GLY 36 -7.647 -3.854 3.984 262 H ASP 37 HN ASP 37 -8.881 -6.814 3.150 263 HA ASP 37 HA ASP 37 -7.293 -8.124 5.166 264 HB2 ASP 37 HB2 ASP 37 -8.771 -10.033 4.827 265 HB3 ASP 37 HB1 ASP 37 -9.718 -8.556 4.967 266 H LEU 38 HN LEU 38 -7.414 -8.009 1.692 267 HA LEU 38 HA LEU 38 -5.579 -10.266 1.501 268 HB2 LEU 38 HB2 LEU 38 -5.918 -10.155 -0.926 269 HB3 LEU 38 HB1 LEU 38 -7.413 -10.382 -0.047 270 HG LEU 38 HG LEU 38 -6.586 -7.647 -0.987 271 HD11 LEU 38 HD11 LEU 38 -6.506 -9.113 -2.937 272 HD12 LEU 38 HD12 LEU 38 -7.891 -8.022 -3.017 273 HD13 LEU 38 HD13 LEU 38 -8.121 -9.710 -2.560 274 HD21 LEU 38 HD21 LEU 38 -8.997 -7.261 -0.976 275 HD22 LEU 38 HD22 LEU 38 -8.431 -7.791 0.608 276 HD23 LEU 38 HD23 LEU 38 -9.265 -8.925 -0.455 277 H ILE 39 HN ILE 39 -3.945 -8.971 2.574 278 HA ILE 39 HA ILE 39 -2.278 -7.769 0.486 279 HB ILE 39 HB ILE 39 -2.646 -6.709 3.292 280 HG12 ILE 39 HG12 ILE 39 -2.908 -5.564 0.519 281 HG13 ILE 39 HG11 ILE 39 -4.098 -5.586 1.817 282 HG21 ILE 39 HG21 ILE 39 -0.252 -6.997 2.895 283 HG22 ILE 39 HG22 ILE 39 -0.700 -5.293 2.981 284 HG23 ILE 39 HG23 ILE 39 -0.383 -6.047 1.416 285 HD11 ILE 39 HD11 ILE 39 -1.613 -3.893 1.652 286 HD12 ILE 39 HD12 ILE 39 -2.655 -3.992 3.074 287 HD13 ILE 39 HD13 ILE 39 -3.289 -3.343 1.555 288 H PHE 40 HN PHE 40 -0.478 -8.912 0.242 289 HA PHE 40 HA PHE 40 0.662 -10.312 2.528 290 HB2 PHE 40 HB2 PHE 40 0.882 -12.406 1.174 291 HB3 PHE 40 HB1 PHE 40 -0.777 -11.996 1.590 292 HD1 PHE 40 HD1 PHE 40 1.687 -12.180 -1.126 293 HD2 PHE 40 HD2 PHE 40 -2.371 -11.415 -0.094 294 HE1 PHE 40 HE1 PHE 40 1.059 -12.330 -3.496 295 HE2 PHE 40 HE2 PHE 40 -3.004 -11.560 -2.465 296 HZ PHE 40 HZ PHE 40 -1.290 -12.020 -4.170 297 H VAL 41 HN VAL 41 2.817 -11.165 2.087 298 HA VAL 41 HA VAL 41 4.505 -9.234 0.996 299 HB VAL 41 HB VAL 41 5.138 -12.161 1.417 300 HG11 VAL 41 HG11 VAL 41 6.963 -9.763 1.290 301 HG12 VAL 41 HG12 VAL 41 6.809 -11.013 0.055 302 HG13 VAL 41 HG13 VAL 41 7.452 -11.419 1.647 303 HG21 VAL 41 HG21 VAL 41 4.254 -11.177 3.446 304 HG22 VAL 41 HG22 VAL 41 5.372 -9.821 3.306 305 HG23 VAL 41 HG23 VAL 41 5.989 -11.446 3.613 306 H GLY 42 HN GLY 42 5.206 -8.790 -1.004 307 HA2 GLY 42 HA2 GLY 42 5.991 -9.423 -3.160 308 HA3 GLY 42 HA1 GLY 42 5.034 -10.890 -3.050 309 H GLN 43 HN GLN 43 2.794 -8.988 -2.014 310 HA GLN 43 HA GLN 43 1.560 -8.680 -4.580 311 HB2 GLN 43 HB2 GLN 43 0.154 -9.274 -2.724 312 HB3 GLN 43 HB1 GLN 43 0.680 -7.871 -1.807 313 HG2 GLN 43 HG2 GLN 43 -0.486 -6.383 -3.231 314 HG3 GLN 43 HG1 GLN 43 -0.805 -7.659 -4.407 315 HE21 GLN 43 HE21 GLN 43 -1.715 -6.282 -1.361 316 HE22 GLN 43 HE22 GLN 43 -3.187 -7.174 -1.164 317 H LYS 44 HN LYS 44 1.216 -6.879 -5.764 318 HA LYS 44 HA LYS 44 2.768 -4.511 -5.012 319 HB2 LYS 44 HB2 LYS 44 2.884 -5.699 -7.309 320 HB3 LYS 44 HB1 LYS 44 1.322 -4.955 -7.619 321 HG2 LYS 44 HG2 LYS 44 2.790 -3.463 -8.581 322 HG3 LYS 44 HG1 LYS 44 2.511 -2.748 -6.992 323 HD2 LYS 44 HD2 LYS 44 4.786 -2.634 -7.041 324 HD3 LYS 44 HD1 LYS 44 4.604 -4.254 -6.367 325 HE2 LYS 44 HE2 LYS 44 5.117 -3.545 -9.255 326 HE3 LYS 44 HE1 LYS 44 6.263 -4.270 -8.133 327 HZ1 LYS 44 HZ1 LYS 44 5.397 -5.963 -9.540 328 HZ2 LYS 44 HZ2 LYS 44 3.796 -5.519 -9.227 329 HZ3 LYS 44 HZ3 LYS 44 4.738 -6.214 -8.000 330 H LEU 45 HN LEU 45 1.597 -3.098 -3.772 331 HA LEU 45 HA LEU 45 -1.130 -2.528 -4.714 332 HB2 LEU 45 HB2 LEU 45 -1.937 -2.204 -2.526 333 HB3 LEU 45 HB1 LEU 45 -1.010 -3.684 -2.475 334 HG LEU 45 HG LEU 45 -0.615 -2.601 -0.454 335 HD11 LEU 45 HD11 LEU 45 1.362 -3.537 -1.538 336 HD12 LEU 45 HD12 LEU 45 1.726 -2.230 -0.407 337 HD13 LEU 45 HD13 LEU 45 1.762 -1.929 -2.147 338 HD21 LEU 45 HD21 LEU 45 0.056 -0.066 -1.933 339 HD22 LEU 45 HD22 LEU 45 0.099 -0.307 -0.186 340 HD23 LEU 45 HD23 LEU 45 -1.439 -0.381 -1.051 341 H ILE 46 HN ILE 46 -1.838 -0.351 -4.690 342 HA ILE 46 HA ILE 46 0.210 1.403 -5.625 343 HB ILE 46 HB ILE 46 -2.713 1.998 -5.076 344 HG12 ILE 46 HG12 ILE 46 -2.857 2.090 -7.584 345 HG13 ILE 46 HG11 ILE 46 -1.234 1.407 -7.649 346 HG21 ILE 46 HG21 ILE 46 -0.682 3.679 -6.546 347 HG22 ILE 46 HG22 ILE 46 -1.352 4.031 -4.952 348 HG23 ILE 46 HG23 ILE 46 -2.401 4.041 -6.371 349 HD11 ILE 46 HD11 ILE 46 -2.986 -0.262 -8.019 350 HD12 ILE 46 HD12 ILE 46 -3.631 0.072 -6.411 351 HD13 ILE 46 HD13 ILE 46 -2.017 -0.618 -6.589 352 H VAL 47 HN VAL 47 1.211 3.055 -4.672 353 HA VAL 47 HA VAL 47 0.038 4.367 -2.381 354 HB VAL 47 HB VAL 47 1.376 2.641 -1.283 355 HG11 VAL 47 HG11 VAL 47 3.726 3.812 -2.762 356 HG12 VAL 47 HG12 VAL 47 3.037 2.206 -2.991 357 HG13 VAL 47 HG13 VAL 47 3.821 2.619 -1.466 358 HG21 VAL 47 HG21 VAL 47 1.148 4.730 -0.147 359 HG22 VAL 47 HG22 VAL 47 2.482 5.432 -1.067 360 HG23 VAL 47 HG23 VAL 47 2.794 4.143 0.096 361 H LYS 48 HN LYS 48 0.217 6.464 -2.784 362 HA LYS 48 HA LYS 48 2.695 7.468 -3.928 363 HB2 LYS 48 HB2 LYS 48 1.497 8.975 -5.468 364 HB3 LYS 48 HB1 LYS 48 1.284 7.274 -5.852 365 HG2 LYS 48 HG2 LYS 48 -0.919 7.348 -4.719 366 HG3 LYS 48 HG1 LYS 48 -0.705 9.086 -4.502 367 HD2 LYS 48 HD2 LYS 48 -0.520 9.337 -6.950 368 HD3 LYS 48 HD1 LYS 48 -0.810 7.606 -7.129 369 HE2 LYS 48 HE2 LYS 48 -2.881 8.694 -7.515 370 HE3 LYS 48 HE1 LYS 48 -2.984 7.948 -5.921 371 HZ1 LYS 48 HZ1 LYS 48 -2.319 10.196 -5.021 372 HZ2 LYS 48 HZ2 LYS 48 -3.870 10.094 -5.698 373 HZ3 LYS 48 HZ3 LYS 48 -2.607 10.811 -6.576 374 H LYS 49 HN LYS 49 3.509 8.956 -2.727 375 HA LYS 49 HA LYS 49 2.003 10.168 -0.622 376 HB2 LYS 49 HB2 LYS 49 4.257 11.459 -0.337 377 HB3 LYS 49 HB1 LYS 49 4.175 9.747 0.050 378 HG2 LYS 49 HG2 LYS 49 6.189 10.090 -1.143 379 HG3 LYS 49 HG1 LYS 49 5.078 9.282 -2.245 380 HD2 LYS 49 HD2 LYS 49 6.220 11.015 -3.445 381 HD3 LYS 49 HD1 LYS 49 4.538 11.500 -3.232 382 HE2 LYS 49 HE2 LYS 49 5.886 13.405 -2.794 383 HE3 LYS 49 HE1 LYS 49 5.268 12.834 -1.245 384 HZ1 LYS 49 HZ1 LYS 49 7.997 12.427 -2.343 385 HZ2 LYS 49 HZ2 LYS 49 7.430 11.681 -0.929 386 HZ3 LYS 49 HZ3 LYS 49 7.564 13.372 -1.002 387 H GLY 50 HN GLY 50 1.826 12.467 -0.249 388 HA2 GLY 50 HA2 GLY 50 1.438 14.652 -0.846 389 HA3 GLY 50 HA1 GLY 50 2.373 14.363 -2.305 390 H SER 51 HN SER 51 -0.599 12.781 -1.185 391 HA SER 51 HA SER 51 -1.907 13.780 -3.626 392 HB2 SER 51 HB2 SER 51 -2.532 11.285 -2.024 393 HB3 SER 51 HB1 SER 51 -3.383 11.815 -3.474 394 HG SER 51 HG SER 51 -0.604 11.228 -3.362
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