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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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592123 |
2myq ![]() ![]() |
25458 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 H1 ACE 1 0.000 0.000 0.000 2 H2 ACE 1 H2 ACE 1 0.890 0.000 -1.542 3 H3 ACE 1 H3 ACE 1 1.780 0.000 0.000 4 H SER 2 H SER 2 2.517 1.841 0.648 5 HA SER 2 HA SER 2 1.497 4.303 -0.559 6 HB2 SER 2 HB2 SER 2 1.711 3.781 2.409 7 HB3 SER 2 HB3 SER 2 1.622 5.405 1.728 8 HG SER 2 HG SER 2 -0.347 3.522 2.047 9 H LYS 3 H LYS 3 2.978 6.062 -0.505 10 HA LYS 3 HA LYS 3 5.655 5.346 -0.932 11 HB2 LYS 3 HB2 LYS 3 4.111 7.588 -1.378 12 HB3 LYS 3 HB3 LYS 3 5.259 8.142 -0.166 13 HG2 LYS 3 HG2 LYS 3 6.924 6.869 -1.863 14 HG3 LYS 3 HG3 LYS 3 5.678 7.422 -2.985 15 HD2 LYS 3 HD2 LYS 3 6.499 9.446 -1.039 16 HD3 LYS 3 HD3 LYS 3 7.802 8.913 -2.104 17 HE2 LYS 3 HE2 LYS 3 5.397 9.305 -3.618 18 HE3 LYS 3 HE3 LYS 3 5.749 10.749 -2.669 19 HZ1 LYS 3 HZ1 LYS 3 7.379 11.270 -4.053 20 HZ2 LYS 3 HZ2 LYS 3 6.927 9.979 -5.048 21 HZ3 LYS 3 HZ3 LYS 3 8.115 9.759 -3.863 22 H LEU 4 H LEU 4 4.206 7.141 1.786 23 HA LEU 4 HA LEU 4 4.969 7.582 3.889 24 HB2 LEU 4 HB2 LEU 4 4.500 5.119 3.936 25 HB3 LEU 4 HB3 LEU 4 6.220 4.853 3.659 26 HG LEU 4 HG LEU 4 6.074 6.543 5.887 27 HD11 LEU 4 HD11 LEU 4 4.322 4.197 6.460 28 HD12 LEU 4 HD12 LEU 4 3.614 5.684 5.830 29 HD13 LEU 4 HD13 LEU 4 4.507 5.708 7.350 30 HD21 LEU 4 HD21 LEU 4 6.898 3.796 5.234 31 HD22 LEU 4 HD22 LEU 4 6.572 4.102 6.940 32 HD23 LEU 4 HD23 LEU 4 7.768 5.075 6.082 33 H LEU 5 H LEU 5 6.627 8.591 1.847 34 HA LEU 5 HA LEU 5 9.373 8.032 2.539 35 HB2 LEU 5 HB2 LEU 5 8.725 8.569 0.239 36 HB3 LEU 5 HB3 LEU 5 8.188 10.163 0.765 37 HG LEU 5 HG LEU 5 10.961 9.652 1.465 38 HD11 LEU 5 HD11 LEU 5 11.465 8.488 -0.404 39 HD12 LEU 5 HD12 LEU 5 11.465 10.096 -1.128 40 HD13 LEU 5 HD13 LEU 5 10.045 9.061 -1.279 41 HD21 LEU 5 HD21 LEU 5 11.239 11.827 0.332 42 HD22 LEU 5 HD22 LEU 5 9.960 11.850 1.546 43 HD23 LEU 5 HD23 LEU 5 9.549 11.759 -0.168 44 H LEU 6 H LEU 6 6.956 10.442 3.284 45 HA LEU 6 HA LEU 6 8.624 12.444 4.324 46 HB2 LEU 6 HB2 LEU 6 5.769 11.715 4.543 47 HB3 LEU 6 HB3 LEU 6 6.413 12.750 5.817 48 HG LEU 6 HG LEU 6 5.318 14.013 4.006 49 HD11 LEU 6 HD11 LEU 6 8.025 14.394 4.977 50 HD12 LEU 6 HD12 LEU 6 6.706 15.553 4.815 51 HD13 LEU 6 HD13 LEU 6 7.742 15.199 3.433 52 HD21 LEU 6 HD21 LEU 6 6.108 12.327 2.237 53 HD22 LEU 6 HD22 LEU 6 7.610 13.253 2.227 54 HD23 LEU 6 HD23 LEU 6 6.086 14.037 1.805 55 H ASN 7 H ASN 7 7.157 9.604 5.832 56 HA ASN 7 HA ASN 7 7.806 10.129 8.488 57 HB2 ASN 7 HB2 ASN 7 6.463 8.157 7.316 58 HB3 ASN 7 HB3 ASN 7 8.005 7.324 7.490 59 HD21 ASN 7 HD21 ASN 7 7.883 6.016 9.159 60 HD22 ASN 7 HD22 ASN 7 7.227 6.403 10.710 61 H GLY 8 H GLY 8 9.803 9.090 5.843 62 HA2 GLY 8 HA2 GLY 8 12.007 8.371 7.620 63 HA3 GLY 8 HA3 GLY 8 11.982 8.198 5.872 64 H PHE 9 H PHE 9 11.164 10.855 5.258 65 HA PHE 9 HA PHE 9 13.686 12.136 5.238 66 HB2 PHE 9 HB2 PHE 9 11.411 12.387 3.767 67 HB3 PHE 9 HB3 PHE 9 11.316 13.830 4.771 68 HD1 PHE 9 HD2 PHE 9 13.649 15.133 4.944 69 HD2 PHE 9 HD1 PHE 9 12.461 12.588 1.746 70 HE1 PHE 9 HE2 PHE 9 15.233 16.277 3.449 71 HE2 PHE 9 HE1 PHE 9 14.045 13.727 0.246 72 HZ PHE 9 HZ PHE 9 15.432 15.575 1.097 73 H ASP 10 H ASP 10 10.982 12.254 7.400 74 HA ASP 10 HA ASP 10 11.275 14.715 8.618 75 HB2 ASP 10 HB2 ASP 10 9.699 12.552 9.061 76 HB3 ASP 10 HB3 ASP 10 10.769 12.458 10.457 77 H ASP 11 H ASP 11 12.833 11.658 9.585 78 HA ASP 11 HA ASP 11 14.382 12.672 11.662 79 HB2 ASP 11 HB2 ASP 11 13.994 10.211 10.746 80 HB3 ASP 11 HB3 ASP 11 15.525 10.526 9.933 81 H VAL 12 H VAL 12 14.794 12.923 8.232 82 HA VAL 12 HA VAL 12 17.569 13.705 8.369 83 HB VAL 12 HB VAL 12 15.650 13.955 6.050 84 HG11 VAL 12 HG11 VAL 12 17.544 15.364 5.712 85 HG12 VAL 12 HG12 VAL 12 18.654 14.097 6.238 86 HG13 VAL 12 HG13 VAL 12 17.771 13.924 4.720 87 HG21 VAL 12 HG21 VAL 12 15.687 11.670 6.486 88 HG22 VAL 12 HG22 VAL 12 16.964 11.871 5.286 89 HG23 VAL 12 HG23 VAL 12 17.377 11.694 6.991 90 H HIS 13 H HIS 13 14.450 15.306 7.885 91 HA HIS 13 HA HIS 13 15.348 17.876 7.323 92 HB2 HIS 13 HB2 HIS 13 12.865 16.632 8.040 93 HB3 HIS 13 HB3 HIS 13 13.042 18.131 8.947 94 HD1 HIS 13 HD1 HIS 13 12.574 20.260 7.719 95 HD2 HIS 13 HD2 HIS 13 13.000 17.013 5.162 96 HE1 HIS 13 HE1 HIS 13 11.934 21.111 5.441 97 H PHE 14 H PHE 14 15.331 16.122 10.307 98 HA PHE 14 HA PHE 14 15.764 18.493 11.924 99 HB2 PHE 14 HB2 PHE 14 14.437 16.489 12.712 100 HB3 PHE 14 HB3 PHE 14 15.959 15.608 12.795 101 HD1 PHE 14 HD1 PHE 14 15.150 19.112 13.748 102 HD2 PHE 14 HD2 PHE 14 16.370 15.244 15.038 103 HE1 PHE 14 HE1 PHE 14 15.529 19.991 16.015 104 HE2 PHE 14 HE2 PHE 14 16.750 16.116 17.307 105 HZ PHE 14 HZ PHE 14 16.328 18.492 17.798 106 H LEU 15 H LEU 15 17.589 15.697 10.769 107 HA LEU 15 HA LEU 15 19.952 16.020 12.157 108 HB2 LEU 15 HB2 LEU 15 19.158 14.819 9.595 109 HB3 LEU 15 HB3 LEU 15 20.863 15.247 9.718 110 HG LEU 15 HG LEU 15 19.368 13.410 11.589 111 HD11 LEU 15 HD11 LEU 15 19.617 12.114 9.718 112 HD12 LEU 15 HD12 LEU 15 21.158 11.816 10.523 113 HD13 LEU 15 HD13 LEU 15 21.069 12.963 9.186 114 HD21 LEU 15 HD21 LEU 15 22.109 13.055 11.868 115 HD22 LEU 15 HD22 LEU 15 21.021 13.842 13.013 116 HD23 LEU 15 HD23 LEU 15 21.890 14.804 11.816 117 H GLY 16 H GLY 16 18.806 17.742 9.303 118 HA2 GLY 16 HA2 GLY 16 21.112 19.037 8.498 119 HA3 GLY 16 HA3 GLY 16 19.499 19.724 8.370 120 H SER 17 H SER 17 18.654 20.552 10.590 121 HA SER 17 HA SER 17 20.132 22.762 11.329 122 HB2 SER 17 HB2 SER 17 17.766 21.368 12.361 123 HB3 SER 17 HB3 SER 17 18.653 22.263 13.595 124 HG SER 17 HG SER 17 16.949 23.372 12.220 125 H ASN 18 H ASN 18 20.283 19.496 12.556 126 HA ASN 18 HA ASN 18 21.776 20.067 14.902 127 HB2 ASN 18 HB2 ASN 18 20.563 17.818 13.807 128 HB3 ASN 18 HB3 ASN 18 22.280 17.430 13.771 129 HD21 ASN 18 HD21 ASN 18 19.512 17.984 15.740 130 HD22 ASN 18 HD22 ASN 18 20.230 17.545 17.250 131 H VAL 19 H VAL 19 22.742 18.800 11.715 132 HA VAL 19 HA VAL 19 25.476 18.630 12.157 133 HB VAL 19 HB VAL 19 24.187 19.431 9.546 134 HG11 VAL 19 HG11 VAL 19 26.114 18.372 8.522 135 HG12 VAL 19 HG12 VAL 19 26.638 19.638 9.634 136 HG13 VAL 19 HG13 VAL 19 26.750 17.943 10.109 137 HG21 VAL 19 HG21 VAL 19 24.744 16.668 9.602 138 HG22 VAL 19 HG22 VAL 19 23.864 17.042 11.084 139 HG23 VAL 19 HG23 VAL 19 23.169 17.457 9.518 140 H MET 20 H MET 20 23.482 21.418 11.602 141 HA MET 20 HA MET 20 25.702 23.165 10.994 142 HB2 MET 20 HB2 MET 20 23.510 23.588 9.994 143 HB3 MET 20 HB3 MET 20 22.803 23.782 11.592 144 HG2 MET 20 HG2 MET 20 24.497 25.677 11.899 145 HG3 MET 20 HG3 MET 20 24.707 25.587 10.152 146 HE1 MET 20 HE1 MET 20 23.450 27.345 12.749 147 HE2 MET 20 HE2 MET 20 22.001 28.204 12.225 148 HE3 MET 20 HE3 MET 20 21.859 26.629 13.007 149 H GLU 21 H GLU 21 23.652 22.413 13.759 150 HA GLU 21 HA GLU 21 24.619 24.493 15.432 151 HB2 GLU 21 HB2 GLU 21 22.514 23.499 15.971 152 HB3 GLU 21 HB3 GLU 21 23.218 21.889 16.024 153 HG2 GLU 21 HG2 GLU 21 23.793 22.105 18.156 154 HG3 GLU 21 HG3 GLU 21 24.504 23.695 17.886 155 H GLU 22 H GLU 22 25.720 21.270 14.687 156 HA GLU 22 HA GLU 22 27.576 21.131 16.881 157 HB2 GLU 22 HB2 GLU 22 28.371 19.076 15.793 158 HB3 GLU 22 HB3 GLU 22 26.621 19.085 15.969 159 HG2 GLU 22 HG2 GLU 22 26.358 19.675 13.637 160 HG3 GLU 22 HG3 GLU 22 28.107 19.768 13.442 161 H GLN 23 H GLN 23 27.683 22.022 13.487 162 HA GLN 23 HA GLN 23 30.561 22.281 13.472 163 HB2 GLN 23 HB2 GLN 23 28.575 21.981 11.515 164 HB3 GLN 23 HB3 GLN 23 29.241 23.588 11.259 165 HG2 GLN 23 HG2 GLN 23 31.529 22.452 11.353 166 HG3 GLN 23 HG3 GLN 23 30.640 20.943 11.157 167 HE21 GLN 23 HE21 GLN 23 29.007 21.023 9.310 168 HE22 GLN 23 HE22 GLN 23 29.569 21.720 7.833 169 H ASP 24 H ASP 24 27.823 24.269 14.120 170 HA ASP 24 HA ASP 24 29.165 26.776 13.682 171 HB2 ASP 24 HB2 ASP 24 26.703 26.521 13.457 172 HB3 ASP 24 HB3 ASP 24 26.602 26.220 15.189 173 H LEU 25 H LEU 25 28.778 24.546 16.305 174 HA LEU 25 HA LEU 25 29.610 26.448 18.324 175 HB2 LEU 25 HB2 LEU 25 28.367 23.874 18.273 176 HB3 LEU 25 HB3 LEU 25 29.797 23.805 19.300 177 HG LEU 25 HG LEU 25 28.901 25.705 20.609 178 HD11 LEU 25 HD11 LEU 25 26.310 25.952 20.210 179 HD12 LEU 25 HD12 LEU 25 26.753 25.510 18.562 180 HD13 LEU 25 HD13 LEU 25 27.473 26.932 19.316 181 HD21 LEU 25 HD21 LEU 25 27.668 24.349 21.954 182 HD22 LEU 25 HD22 LEU 25 28.363 23.119 20.898 183 HD23 LEU 25 HD23 LEU 25 26.719 23.696 20.617 184 H ARG 26 H ARG 26 31.044 24.067 16.256 185 HA ARG 26 HA ARG 26 33.538 24.047 17.764 186 HB2 ARG 26 HB2 ARG 26 34.258 22.314 16.281 187 HB3 ARG 26 HB3 ARG 26 32.598 21.959 16.740 188 HG2 ARG 26 HG2 ARG 26 32.236 21.675 14.563 189 HG3 ARG 26 HG3 ARG 26 32.276 23.436 14.457 190 HD2 ARG 26 HD2 ARG 26 33.751 22.550 12.792 191 HD3 ARG 26 HD3 ARG 26 34.729 23.290 14.059 192 HE ARG 26 HE ARG 26 34.638 20.715 14.829 193 HH11 ARG 26 HH12 ARG 26 35.391 22.232 11.787 194 HH12 ARG 26 HH11 ARG 26 36.490 20.989 11.290 195 HH21 ARG 26 HH22 ARG 26 36.083 19.071 14.186 196 HH22 ARG 26 HH21 ARG 26 36.882 19.191 12.655 197 H ASP 27 H ASP 27 32.129 25.482 14.937 198 HA ASP 27 HA ASP 27 34.487 26.208 13.576 199 HB2 ASP 27 HB2 ASP 27 32.334 26.287 12.462 200 HB3 ASP 27 HB3 ASP 27 31.757 27.508 13.594 201 H ILE 28 H ILE 28 32.685 27.730 16.180 202 HA ILE 28 HA ILE 28 33.845 30.258 16.162 203 HB ILE 28 HB ILE 28 32.975 28.659 18.572 204 HG12 ILE 28 HG12 ILE 28 31.389 30.776 17.131 205 HG13 ILE 28 HG13 ILE 28 31.305 29.082 16.659 206 HG21 ILE 28 HG21 ILE 28 33.386 31.627 18.230 207 HG22 ILE 28 HG22 ILE 28 32.702 30.846 19.655 208 HG23 ILE 28 HG23 ILE 28 34.378 30.539 19.200 209 HD11 ILE 28 HD11 ILE 28 30.637 28.562 19.014 210 HD12 ILE 28 HD12 ILE 28 30.508 30.300 19.285 211 HD13 ILE 28 HD13 ILE 28 29.474 29.514 18.092 212 H GLY 29 H GLY 29 35.150 27.202 17.162 213 HA2 GLY 29 HA2 GLY 29 37.367 28.429 18.597 214 HA3 GLY 29 HA3 GLY 29 37.080 26.707 18.394 215 H ILE 30 H ILE 30 36.682 27.206 15.434 216 HA ILE 30 HA ILE 30 39.518 27.051 14.752 217 HB ILE 30 HB ILE 30 37.181 26.529 12.922 218 HG12 ILE 30 HG12 ILE 30 38.691 24.558 14.652 219 HG13 ILE 30 HG13 ILE 30 37.029 25.078 14.907 220 HG21 ILE 30 HG21 ILE 30 38.742 26.215 11.380 221 HG22 ILE 30 HG22 ILE 30 39.995 26.612 12.555 222 HG23 ILE 30 HG23 ILE 30 39.462 24.942 12.365 223 HD11 ILE 30 HD11 ILE 30 36.527 24.148 12.616 224 HD12 ILE 30 HD12 ILE 30 38.127 23.407 12.672 225 HD13 ILE 30 HD13 ILE 30 36.911 22.973 13.873 226 H SER 31 H SER 31 37.074 29.330 14.788 227 HA SER 31 HA SER 31 38.310 30.863 12.597 228 HB2 SER 31 HB2 SER 31 35.562 30.362 13.266 229 HB3 SER 31 HB3 SER 31 35.882 32.093 13.377 230 HG SER 31 HG SER 31 36.242 30.379 11.156 231 H ASP 32 H ASP 32 38.385 30.573 15.844 232 HA ASP 32 HA ASP 32 38.032 33.071 16.949 233 HB2 ASP 32 HB2 ASP 32 39.380 30.640 17.674 234 HB3 ASP 32 HB3 ASP 32 40.376 32.020 18.130 235 HA PRO 33 HA PRO 33 41.085 35.765 15.319 236 HB2 PRO 33 HB2 PRO 33 41.692 37.281 17.488 237 HB3 PRO 33 HB3 PRO 33 40.160 37.419 16.618 238 HG2 PRO 33 HG2 PRO 33 40.772 35.951 19.154 239 HG3 PRO 33 HG3 PRO 33 39.371 36.963 18.758 240 HD2 PRO 33 HD2 PRO 33 39.283 34.258 18.677 241 HD3 PRO 33 HD3 PRO 33 38.327 35.278 17.582 242 H GLN 34 H GLN 34 41.987 34.500 18.529 243 HA GLN 34 HA GLN 34 44.718 34.915 18.398 244 HB2 GLN 34 HB2 GLN 34 43.121 32.742 19.744 245 HB3 GLN 34 HB3 GLN 34 44.860 32.902 19.948 246 HG2 GLN 34 HG2 GLN 34 43.720 35.441 20.423 247 HG3 GLN 34 HG3 GLN 34 42.767 34.254 21.312 248 HE21 GLN 34 HE21 GLN 34 45.077 36.353 21.784 249 HE22 GLN 34 HE22 GLN 34 46.072 35.530 22.932 250 H HIS 35 H HIS 35 42.770 32.530 16.798 251 HA HIS 35 HA HIS 35 44.595 30.545 16.208 252 HB2 HIS 35 HB2 HIS 35 42.023 31.088 15.460 253 HB3 HIS 35 HB3 HIS 35 42.883 31.309 13.939 254 HD1 HIS 35 HD1 HIS 35 40.927 29.006 14.172 255 HD2 HIS 35 HD2 HIS 35 44.963 28.669 15.098 256 HE1 HIS 35 HE1 HIS 35 41.464 26.559 13.957 257 H ARG 36 H ARG 36 44.222 33.716 14.736 258 HA ARG 36 HA ARG 36 45.931 33.299 12.528 259 HB2 ARG 36 HB2 ARG 36 45.022 35.770 13.990 260 HB3 ARG 36 HB3 ARG 36 46.133 35.858 12.630 261 HG2 ARG 36 HG2 ARG 36 44.031 34.247 11.754 262 HG3 ARG 36 HG3 ARG 36 43.275 35.570 12.644 263 HD2 ARG 36 HD2 ARG 36 45.176 36.879 11.186 264 HD3 ARG 36 HD3 ARG 36 44.701 35.586 10.086 265 HE ARG 36 HE ARG 36 43.188 37.891 10.741 266 HH11 ARG 36 HH12 ARG 36 42.871 34.494 10.046 267 HH12 ARG 36 HH11 ARG 36 41.259 34.637 9.429 268 HH21 ARG 36 HH22 ARG 36 41.065 38.092 9.931 269 HH22 ARG 36 HH21 ARG 36 40.233 36.685 9.363 270 H ARG 37 H ARG 37 46.513 34.415 15.826 271 HA ARG 37 HA ARG 37 49.252 35.078 15.407 272 HB2 ARG 37 HB2 ARG 37 47.422 34.857 17.726 273 HB3 ARG 37 HB3 ARG 37 49.137 34.670 18.068 274 HG2 ARG 37 HG2 ARG 37 49.617 36.837 17.579 275 HG3 ARG 37 HG3 ARG 37 48.316 36.973 16.394 276 HD2 ARG 37 HD2 ARG 37 46.729 36.795 18.394 277 HD3 ARG 37 HD3 ARG 37 48.150 37.112 19.388 278 HE ARG 37 HE ARG 37 47.781 39.030 17.285 279 HH11 ARG 37 HH12 ARG 37 46.889 38.152 20.534 280 HH12 ARG 37 HH11 ARG 37 46.483 39.771 20.999 281 HH21 ARG 37 HH22 ARG 37 47.249 41.165 17.886 282 HH22 ARG 37 HH21 ARG 37 46.687 41.484 19.492 283 H LYS 38 H LYS 38 47.534 32.172 16.306 284 HA LYS 38 HA LYS 38 49.938 30.750 17.055 285 HB2 LYS 38 HB2 LYS 38 47.091 29.809 16.669 286 HB3 LYS 38 HB3 LYS 38 48.404 28.797 17.256 287 HG2 LYS 38 HG2 LYS 38 48.677 30.323 19.176 288 HG3 LYS 38 HG3 LYS 38 47.287 31.249 18.602 289 HD2 LYS 38 HD2 LYS 38 46.402 28.613 18.646 290 HD3 LYS 38 HD3 LYS 38 47.371 28.779 20.113 291 HE2 LYS 38 HE2 LYS 38 46.069 30.708 20.787 292 HE3 LYS 38 HE3 LYS 38 45.149 30.644 19.285 293 HZ1 LYS 38 HZ1 LYS 38 43.784 29.601 20.818 294 HZ2 LYS 38 HZ2 LYS 38 45.060 28.793 21.580 295 HZ3 LYS 38 HZ3 LYS 38 44.539 28.296 20.050 296 H LEU 39 H LEU 39 48.099 31.313 14.202 297 HA LEU 39 HA LEU 39 49.212 29.027 12.793 298 HB2 LEU 39 HB2 LEU 39 46.849 29.981 12.503 299 HB3 LEU 39 HB3 LEU 39 47.623 31.256 11.564 300 HG LEU 39 HG LEU 39 48.456 28.673 10.609 301 HD11 LEU 39 HD11 LEU 39 46.225 28.053 11.607 302 HD12 LEU 39 HD12 LEU 39 46.407 27.746 9.881 303 HD13 LEU 39 HD13 LEU 39 45.491 29.147 10.434 304 HD21 LEU 39 HD21 LEU 39 46.675 30.518 9.096 305 HD22 LEU 39 HD22 LEU 39 48.104 29.634 8.561 306 HD23 LEU 39 HD23 LEU 39 48.282 31.079 9.558 307 H LEU 40 H LEU 40 49.868 32.373 13.272 308 HA LEU 40 HA LEU 40 51.397 32.810 10.907 309 HB2 LEU 40 HB2 LEU 40 50.519 34.326 13.136 310 HB3 LEU 40 HB3 LEU 40 52.269 34.504 13.022 311 HG LEU 40 HG LEU 40 51.130 36.307 11.855 312 HD11 LEU 40 HD11 LEU 40 52.310 36.188 9.781 313 HD12 LEU 40 HD12 LEU 40 52.380 34.428 9.860 314 HD13 LEU 40 HD13 LEU 40 53.293 35.398 11.015 315 HD21 LEU 40 HD21 LEU 40 49.345 34.292 11.082 316 HD22 LEU 40 HD22 LEU 40 50.127 34.838 9.598 317 HD23 LEU 40 HD23 LEU 40 49.299 35.998 10.638 318 H GLN 41 H GLN 41 52.279 32.141 14.289 319 HA GLN 41 HA GLN 41 55.070 32.030 13.794 320 HB2 GLN 41 HB2 GLN 41 53.262 31.473 16.052 321 HB3 GLN 41 HB3 GLN 41 54.752 30.539 16.052 322 HG2 GLN 41 HG2 GLN 41 55.561 32.310 17.156 323 HG3 GLN 41 HG3 GLN 41 55.732 32.990 15.539 324 HE21 GLN 41 HE21 GLN 41 55.412 34.412 18.008 325 HE22 GLN 41 HE22 GLN 41 53.957 35.333 17.877 326 H ALA 42 H ALA 42 52.493 29.758 13.435 327 HA ALA 42 HA ALA 42 54.248 27.452 13.339 328 HB1 ALA 42 HB1 ALA 42 52.219 26.838 14.231 329 HB2 ALA 42 HB2 ALA 42 51.301 27.873 13.136 330 HB3 ALA 42 HB3 ALA 42 52.008 26.370 12.544 331 H ALA 43 H ALA 43 52.704 29.666 11.134 332 HA ALA 43 HA ALA 43 53.275 28.030 8.808 333 HB1 ALA 43 HB1 ALA 43 52.166 30.828 9.011 334 HB2 ALA 43 HB2 ALA 43 52.275 29.868 7.535 335 HB3 ALA 43 HB3 ALA 43 51.227 29.344 8.852 336 H ARG 44 H ARG 44 54.755 30.576 10.608 337 HA ARG 44 HA ARG 44 56.419 31.622 8.562 338 HB2 ARG 44 HB2 ARG 44 56.391 31.749 11.550 339 HB3 ARG 44 HB3 ARG 44 57.829 32.282 10.689 340 HG2 ARG 44 HG2 ARG 44 55.684 33.493 9.372 341 HG3 ARG 44 HG3 ARG 44 55.334 33.641 11.095 342 HD2 ARG 44 HD2 ARG 44 57.621 34.550 11.425 343 HD3 ARG 44 HD3 ARG 44 57.848 34.511 9.677 344 HE ARG 44 HE ARG 44 55.516 35.956 10.245 345 HH11 ARG 44 HH12 ARG 44 58.967 36.205 10.633 346 HH12 ARG 44 HH11 ARG 44 58.979 37.936 10.583 347 HH21 ARG 44 HH22 ARG 44 55.519 38.236 10.178 348 HH22 ARG 44 HH21 ARG 44 57.017 39.091 10.325 349 HN1 NH2 45 HN1 NH2 45 56.725 28.955 10.851 350 HN2 NH2 45 HN2 NH2 45 58.233 28.348 10.253 Start of MODEL 2 1 H1 ACE 1 H1 ACE 1 7.637 6.798 -6.106 2 H2 ACE 1 H2 ACE 1 5.949 6.284 -5.868 3 H3 ACE 1 H3 ACE 1 6.421 7.969 -5.542 4 H SER 2 H SER 2 6.303 4.743 -4.396 5 HA SER 2 HA SER 2 6.590 3.812 -2.340 6 HB2 SER 2 HB2 SER 2 8.721 3.902 -1.603 7 HB3 SER 2 HB3 SER 2 9.007 4.967 -2.979 8 HG SER 2 HG SER 2 9.603 5.700 -0.736 9 H LYS 3 H LYS 3 6.642 4.347 0.083 10 HA LYS 3 HA LYS 3 5.084 6.803 0.561 11 HB2 LYS 3 HB2 LYS 3 4.402 4.054 1.059 12 HB3 LYS 3 HB3 LYS 3 4.476 4.928 2.583 13 HG2 LYS 3 HG2 LYS 3 3.060 6.408 0.526 14 HG3 LYS 3 HG3 LYS 3 2.335 4.833 0.856 15 HD2 LYS 3 HD2 LYS 3 1.660 5.438 2.920 16 HD3 LYS 3 HD3 LYS 3 3.130 6.360 3.240 17 HE2 LYS 3 HE2 LYS 3 1.039 7.352 1.330 18 HE3 LYS 3 HE3 LYS 3 0.908 7.638 3.065 19 HZ1 LYS 3 HZ1 LYS 3 2.519 9.170 3.012 20 HZ2 LYS 3 HZ2 LYS 3 2.205 9.245 1.352 21 HZ3 LYS 3 HZ3 LYS 3 3.481 8.296 1.929 22 H LEU 4 H LEU 4 8.017 5.666 0.972 23 HA LEU 4 HA LEU 4 8.302 6.388 3.798 24 HB2 LEU 4 HB2 LEU 4 10.008 4.903 1.843 25 HB3 LEU 4 HB3 LEU 4 10.734 5.621 3.280 26 HG LEU 4 HG LEU 4 10.283 3.271 3.645 27 HD11 LEU 4 HD11 LEU 4 8.172 4.678 5.223 28 HD12 LEU 4 HD12 LEU 4 9.869 5.113 5.425 29 HD13 LEU 4 HD13 LEU 4 9.338 3.461 5.742 30 HD21 LEU 4 HD21 LEU 4 7.354 3.851 3.279 31 HD22 LEU 4 HD22 LEU 4 8.144 2.286 3.477 32 HD23 LEU 4 HD23 LEU 4 8.369 3.206 1.988 33 H LEU 5 H LEU 5 7.818 8.313 1.586 34 HA LEU 5 HA LEU 5 10.334 9.808 1.544 35 HB2 LEU 5 HB2 LEU 5 8.408 9.372 -0.376 36 HB3 LEU 5 HB3 LEU 5 8.055 11.007 0.180 37 HG LEU 5 HG LEU 5 10.877 10.689 -0.325 38 HD11 LEU 5 HD11 LEU 5 10.281 8.997 -1.915 39 HD12 LEU 5 HD12 LEU 5 10.680 10.474 -2.791 40 HD13 LEU 5 HD13 LEU 5 8.994 10.005 -2.576 41 HD21 LEU 5 HD21 LEU 5 8.869 12.392 -1.780 42 HD22 LEU 5 HD22 LEU 5 10.589 12.699 -1.535 43 HD23 LEU 5 HD23 LEU 5 9.474 12.786 -0.170 44 H LEU 6 H LEU 6 8.584 9.531 3.929 45 HA LEU 6 HA LEU 6 8.454 12.366 4.572 46 HB2 LEU 6 HB2 LEU 6 6.122 10.626 4.240 47 HB3 LEU 6 HB3 LEU 6 6.161 11.494 5.773 48 HG LEU 6 HG LEU 6 6.693 13.188 3.447 49 HD11 LEU 6 HD11 LEU 6 4.971 11.391 2.700 50 HD12 LEU 6 HD12 LEU 6 4.649 13.095 2.385 51 HD13 LEU 6 HD13 LEU 6 3.861 12.285 3.739 52 HD21 LEU 6 HD21 LEU 6 6.350 14.225 5.536 53 HD22 LEU 6 HD22 LEU 6 4.906 13.266 5.864 54 HD23 LEU 6 HD23 LEU 6 4.874 14.511 4.615 55 H ASN 7 H ASN 7 7.658 9.134 5.855 56 HA ASN 7 HA ASN 7 8.276 9.808 8.540 57 HB2 ASN 7 HB2 ASN 7 7.148 7.610 7.190 58 HB3 ASN 7 HB3 ASN 7 8.565 6.984 8.027 59 HD21 ASN 7 HD21 ASN 7 5.405 7.248 8.337 60 HD22 ASN 7 HD22 ASN 7 5.250 7.437 10.047 61 H GLY 8 H GLY 8 10.161 8.682 5.844 62 HA2 GLY 8 HA2 GLY 8 12.442 8.026 7.546 63 HA3 GLY 8 HA3 GLY 8 12.344 7.802 5.805 64 H PHE 9 H PHE 9 11.311 10.607 5.519 65 HA PHE 9 HA PHE 9 13.909 11.855 5.301 66 HB2 PHE 9 HB2 PHE 9 11.737 11.975 3.721 67 HB3 PHE 9 HB3 PHE 9 11.448 13.406 4.706 68 HD1 PHE 9 HD2 PHE 9 14.418 11.830 3.076 69 HD2 PHE 9 HD1 PHE 9 12.111 15.351 3.709 70 HE1 PHE 9 HE2 PHE 9 15.986 13.106 1.673 71 HE2 PHE 9 HE1 PHE 9 13.675 16.632 2.306 72 HZ PHE 9 HZ PHE 9 15.616 15.510 1.287 73 H ASP 10 H ASP 10 11.150 12.000 7.392 74 HA ASP 10 HA ASP 10 11.355 14.516 8.508 75 HB2 ASP 10 HB2 ASP 10 9.627 12.701 8.990 76 HB3 ASP 10 HB3 ASP 10 10.789 12.043 10.139 77 H ASP 11 H ASP 11 13.058 11.556 9.498 78 HA ASP 11 HA ASP 11 14.504 12.681 11.618 79 HB2 ASP 11 HB2 ASP 11 14.406 10.179 10.245 80 HB3 ASP 11 HB3 ASP 11 16.094 10.662 10.394 81 H VAL 12 H VAL 12 14.965 12.840 8.188 82 HA VAL 12 HA VAL 12 17.710 13.716 8.342 83 HB VAL 12 HB VAL 12 15.809 13.810 5.996 84 HG11 VAL 12 HG11 VAL 12 18.095 13.729 4.776 85 HG12 VAL 12 HG12 VAL 12 17.523 15.264 5.433 86 HG13 VAL 12 HG13 VAL 12 18.739 14.328 6.304 87 HG21 VAL 12 HG21 VAL 12 16.996 11.763 5.260 88 HG22 VAL 12 HG22 VAL 12 17.823 11.720 6.817 89 HG23 VAL 12 HG23 VAL 12 16.071 11.532 6.744 90 H HIS 13 H HIS 13 14.551 15.202 7.751 91 HA HIS 13 HA HIS 13 15.376 17.781 7.130 92 HB2 HIS 13 HB2 HIS 13 12.924 16.480 7.814 93 HB3 HIS 13 HB3 HIS 13 13.032 17.982 8.727 94 HD1 HIS 13 HD1 HIS 13 12.018 19.881 7.534 95 HD2 HIS 13 HD2 HIS 13 13.604 17.088 4.898 96 HE1 HIS 13 HE1 HIS 13 11.522 20.769 5.234 97 H PHE 14 H PHE 14 15.354 16.120 10.169 98 HA PHE 14 HA PHE 14 15.682 18.547 11.722 99 HB2 PHE 14 HB2 PHE 14 14.427 16.498 12.537 100 HB3 PHE 14 HB3 PHE 14 15.991 15.703 12.687 101 HD1 PHE 14 HD1 PHE 14 14.017 18.609 13.865 102 HD2 PHE 14 HD2 PHE 14 17.318 16.019 14.583 103 HE1 PHE 14 HE1 PHE 14 14.289 19.582 16.108 104 HE2 PHE 14 HE2 PHE 14 17.594 16.987 16.828 105 HZ PHE 14 HZ PHE 14 16.078 18.771 17.594 106 H LEU 15 H LEU 15 17.641 15.998 10.370 107 HA LEU 15 HA LEU 15 19.972 16.256 11.852 108 HB2 LEU 15 HB2 LEU 15 19.177 15.082 9.365 109 HB3 LEU 15 HB3 LEU 15 20.740 15.872 9.167 110 HG LEU 15 HG LEU 15 20.116 13.790 11.260 111 HD11 LEU 15 HD11 LEU 15 20.687 13.518 8.470 112 HD12 LEU 15 HD12 LEU 15 20.389 12.267 9.675 113 HD13 LEU 15 HD13 LEU 15 22.026 12.870 9.417 114 HD21 LEU 15 HD21 LEU 15 22.024 15.652 11.428 115 HD22 LEU 15 HD22 LEU 15 22.875 14.471 10.432 116 HD23 LEU 15 HD23 LEU 15 22.244 14.002 12.012 117 H GLY 16 H GLY 16 18.768 18.214 9.182 118 HA2 GLY 16 HA2 GLY 16 21.017 19.683 8.535 119 HA3 GLY 16 HA3 GLY 16 19.377 20.310 8.467 120 H SER 17 H SER 17 18.491 20.849 10.766 121 HA SER 17 HA SER 17 19.861 23.039 11.739 122 HB2 SER 17 HB2 SER 17 17.540 21.475 12.550 123 HB3 SER 17 HB3 SER 17 18.404 22.145 13.933 124 HG SER 17 HG SER 17 17.990 24.148 13.249 125 H ASN 18 H ASN 18 20.203 19.674 12.583 126 HA ASN 18 HA ASN 18 21.673 20.071 14.988 127 HB2 ASN 18 HB2 ASN 18 20.584 17.881 13.615 128 HB3 ASN 18 HB3 ASN 18 22.319 17.585 13.655 129 HD21 ASN 18 HD21 ASN 18 19.597 16.889 15.201 130 HD22 ASN 18 HD22 ASN 18 20.177 16.716 16.819 131 H VAL 19 H VAL 19 22.662 19.191 11.680 132 HA VAL 19 HA VAL 19 25.411 19.110 12.106 133 HB VAL 19 HB VAL 19 24.071 20.058 9.572 134 HG11 VAL 19 HG11 VAL 19 26.764 18.868 10.183 135 HG12 VAL 19 HG12 VAL 19 26.085 18.905 8.555 136 HG13 VAL 19 HG13 VAL 19 26.400 20.413 9.415 137 HG21 VAL 19 HG21 VAL 19 23.916 17.515 10.907 138 HG22 VAL 19 HG22 VAL 19 23.110 18.057 9.435 139 HG23 VAL 19 HG23 VAL 19 24.721 17.346 9.348 140 H MET 20 H MET 20 23.267 21.820 11.824 141 HA MET 20 HA MET 20 25.394 23.727 11.356 142 HB2 MET 20 HB2 MET 20 23.189 24.113 10.370 143 HB3 MET 20 HB3 MET 20 22.463 24.140 11.972 144 HG2 MET 20 HG2 MET 20 24.052 26.090 12.447 145 HG3 MET 20 HG3 MET 20 24.276 26.153 10.701 146 HE1 MET 20 HE1 MET 20 21.913 28.550 12.972 147 HE2 MET 20 HE2 MET 20 20.986 27.120 13.426 148 HE3 MET 20 HE3 MET 20 22.741 27.126 13.603 149 H GLU 21 H GLU 21 23.348 22.671 14.027 150 HA GLU 21 HA GLU 21 24.237 24.649 15.868 151 HB2 GLU 21 HB2 GLU 21 22.143 23.585 16.295 152 HB3 GLU 21 HB3 GLU 21 22.870 21.985 16.235 153 HG2 GLU 21 HG2 GLU 21 23.473 22.054 18.378 154 HG3 GLU 21 HG3 GLU 21 24.057 23.712 18.257 155 H GLU 22 H GLU 22 25.461 21.568 14.838 156 HA GLU 22 HA GLU 22 27.261 21.265 17.072 157 HB2 GLU 22 HB2 GLU 22 28.033 19.280 15.976 158 HB3 GLU 22 HB3 GLU 22 26.282 19.331 15.823 159 HG2 GLU 22 HG2 GLU 22 26.467 20.102 13.542 160 HG3 GLU 22 HG3 GLU 22 28.223 20.174 13.683 161 H GLN 23 H GLN 23 27.392 22.487 13.791 162 HA GLN 23 HA GLN 23 30.271 22.807 13.860 163 HB2 GLN 23 HB2 GLN 23 28.372 22.563 11.830 164 HB3 GLN 23 HB3 GLN 23 28.925 24.228 11.719 165 HG2 GLN 23 HG2 GLN 23 31.286 23.262 11.777 166 HG3 GLN 23 HG3 GLN 23 30.521 21.707 11.457 167 HE21 GLN 23 HE21 GLN 23 28.884 21.829 9.593 168 HE22 GLN 23 HE22 GLN 23 29.429 22.655 8.177 169 H ASP 24 H ASP 24 27.442 24.667 14.539 170 HA ASP 24 HA ASP 24 28.697 27.238 14.328 171 HB2 ASP 24 HB2 ASP 24 26.248 26.903 14.060 172 HB3 ASP 24 HB3 ASP 24 26.147 26.478 15.767 173 H LEU 25 H LEU 25 28.242 24.854 16.835 174 HA LEU 25 HA LEU 25 28.965 26.595 18.997 175 HB2 LEU 25 HB2 LEU 25 28.106 23.850 18.655 176 HB3 LEU 25 HB3 LEU 25 29.412 23.984 19.831 177 HG LEU 25 HG LEU 25 27.298 24.044 20.975 178 HD11 LEU 25 HD11 LEU 25 28.212 26.896 20.957 179 HD12 LEU 25 HD12 LEU 25 29.238 25.613 21.598 180 HD13 LEU 25 HD13 LEU 25 27.653 25.913 22.310 181 HD21 LEU 25 HD21 LEU 25 25.644 24.729 19.559 182 HD22 LEU 25 HD22 LEU 25 26.621 26.019 18.859 183 HD23 LEU 25 HD23 LEU 25 25.900 26.226 20.456 184 H ARG 26 H ARG 26 30.665 24.690 16.688 185 HA ARG 26 HA ARG 26 33.137 24.779 18.251 186 HB2 ARG 26 HB2 ARG 26 34.025 23.184 16.760 187 HB3 ARG 26 HB3 ARG 26 32.357 22.689 17.016 188 HG2 ARG 26 HG2 ARG 26 31.722 23.702 14.891 189 HG3 ARG 26 HG3 ARG 26 33.390 24.217 14.636 190 HD2 ARG 26 HD2 ARG 26 32.291 21.419 14.712 191 HD3 ARG 26 HD3 ARG 26 33.110 22.234 13.380 192 HE ARG 26 HE ARG 26 34.985 22.211 15.325 193 HH11 ARG 26 HH12 ARG 26 32.977 19.739 13.919 194 HH12 ARG 26 HH11 ARG 26 34.131 18.472 14.174 195 HH21 ARG 26 HH22 ARG 26 36.513 20.552 15.666 196 HH22 ARG 26 HH21 ARG 26 36.142 18.936 15.169 197 H ASP 27 H ASP 27 31.639 26.113 15.387 198 HA ASP 27 HA ASP 27 33.813 27.181 14.057 199 HB2 ASP 27 HB2 ASP 27 31.523 27.249 13.174 200 HB3 ASP 27 HB3 ASP 27 31.078 28.428 14.405 201 H ILE 28 H ILE 28 32.121 28.409 16.891 202 HA ILE 28 HA ILE 28 33.201 30.960 17.043 203 HB ILE 28 HB ILE 28 32.600 29.134 19.373 204 HG12 ILE 28 HG12 ILE 28 30.816 31.087 17.903 205 HG13 ILE 28 HG13 ILE 28 30.690 29.333 17.841 206 HG21 ILE 28 HG21 ILE 28 32.732 32.142 19.205 207 HG22 ILE 28 HG22 ILE 28 32.259 31.207 20.624 208 HG23 ILE 28 HG23 ILE 28 33.905 31.094 20.002 209 HD11 ILE 28 HD11 ILE 28 29.036 29.968 19.337 210 HD12 ILE 28 HD12 ILE 28 30.369 29.470 20.379 211 HD13 ILE 28 HD13 ILE 28 30.059 31.184 20.101 212 H GLY 29 H GLY 29 34.681 27.883 17.656 213 HA2 GLY 29 HA2 GLY 29 37.007 29.166 18.907 214 HA3 GLY 29 HA3 GLY 29 36.682 27.440 18.870 215 H ILE 30 H ILE 30 35.961 27.960 15.891 216 HA ILE 30 HA ILE 30 38.677 27.474 14.939 217 HB ILE 30 HB ILE 30 36.078 27.253 13.418 218 HG12 ILE 30 HG12 ILE 30 37.718 25.037 14.661 219 HG13 ILE 30 HG13 ILE 30 36.268 25.715 15.395 220 HG21 ILE 30 HG21 ILE 30 37.872 27.511 11.891 221 HG22 ILE 30 HG22 ILE 30 38.896 26.402 12.801 222 HG23 ILE 30 HG23 ILE 30 37.490 25.790 11.931 223 HD11 ILE 30 HD11 ILE 30 35.144 25.088 13.152 224 HD12 ILE 30 HD12 ILE 30 36.538 24.027 12.952 225 HD13 ILE 30 HD13 ILE 30 35.472 23.830 14.343 226 H SER 31 H SER 31 36.388 29.983 15.066 227 HA SER 31 HA SER 31 37.706 31.420 12.862 228 HB2 SER 31 HB2 SER 31 34.957 31.192 13.664 229 HB3 SER 31 HB3 SER 31 35.455 32.881 13.765 230 HG SER 31 HG SER 31 34.771 32.505 11.685 231 H ASP 32 H ASP 32 37.927 31.092 16.093 232 HA ASP 32 HA ASP 32 37.872 33.597 17.236 233 HB2 ASP 32 HB2 ASP 32 39.021 31.042 17.865 234 HB3 ASP 32 HB3 ASP 32 40.175 32.312 18.264 235 HA PRO 33 HA PRO 33 41.060 36.018 15.441 236 HB2 PRO 33 HB2 PRO 33 41.910 37.462 17.577 237 HB3 PRO 33 HB3 PRO 33 40.353 37.740 16.788 238 HG2 PRO 33 HG2 PRO 33 40.964 36.210 19.288 239 HG3 PRO 33 HG3 PRO 33 39.640 37.344 18.966 240 HD2 PRO 33 HD2 PRO 33 39.308 34.658 18.887 241 HD3 PRO 33 HD3 PRO 33 38.390 35.764 17.845 242 H GLN 34 H GLN 34 42.013 34.665 18.601 243 HA GLN 34 HA GLN 34 44.758 34.837 18.334 244 HB2 GLN 34 HB2 GLN 34 43.040 32.804 19.747 245 HB3 GLN 34 HB3 GLN 34 44.795 32.794 19.857 246 HG2 GLN 34 HG2 GLN 34 44.479 35.281 20.572 247 HG3 GLN 34 HG3 GLN 34 42.839 34.757 20.949 248 HE21 GLN 34 HE21 GLN 34 43.754 35.513 23.100 249 HE22 GLN 34 HE22 GLN 34 44.482 34.297 24.089 250 H HIS 35 H HIS 35 42.533 32.644 16.819 251 HA HIS 35 HA HIS 35 44.144 30.516 16.127 252 HB2 HIS 35 HB2 HIS 35 41.598 31.292 15.507 253 HB3 HIS 35 HB3 HIS 35 42.402 31.454 13.948 254 HD1 HIS 35 HD1 HIS 35 40.264 29.330 14.252 255 HD2 HIS 35 HD2 HIS 35 44.292 28.628 14.988 256 HE1 HIS 35 HE1 HIS 35 40.572 26.848 13.993 257 H ARG 36 H ARG 36 43.900 33.687 14.593 258 HA ARG 36 HA ARG 36 45.524 33.125 12.359 259 HB2 ARG 36 HB2 ARG 36 44.298 35.458 13.576 260 HB3 ARG 36 HB3 ARG 36 45.895 35.827 12.939 261 HG2 ARG 36 HG2 ARG 36 43.911 34.350 11.264 262 HG3 ARG 36 HG3 ARG 36 43.824 36.105 11.422 263 HD2 ARG 36 HD2 ARG 36 46.479 34.957 10.809 264 HD3 ARG 36 HD3 ARG 36 45.266 34.866 9.532 265 HE ARG 36 HE ARG 36 46.611 37.217 10.477 266 HH11 ARG 36 HH12 ARG 36 43.734 36.003 8.940 267 HH12 ARG 36 HH11 ARG 36 43.370 37.498 8.144 268 HH21 ARG 36 HH22 ARG 36 46.143 39.192 9.435 269 HH22 ARG 36 HH21 ARG 36 44.742 39.311 8.426 270 H ARG 37 H ARG 37 46.263 34.210 15.624 271 HA ARG 37 HA ARG 37 49.019 34.749 15.108 272 HB2 ARG 37 HB2 ARG 37 47.770 34.143 17.788 273 HB3 ARG 37 HB3 ARG 37 49.236 35.062 17.469 274 HG2 ARG 37 HG2 ARG 37 47.182 36.344 16.048 275 HG3 ARG 37 HG3 ARG 37 46.531 35.970 17.646 276 HD2 ARG 37 HD2 ARG 37 48.074 37.285 18.731 277 HD3 ARG 37 HD3 ARG 37 49.262 37.144 17.436 278 HE ARG 37 HE ARG 37 46.931 38.578 16.619 279 HH11 ARG 37 HH12 ARG 37 49.951 38.855 18.329 280 HH12 ARG 37 HH11 ARG 37 50.107 40.556 18.042 281 HH21 ARG 37 HH22 ARG 37 47.125 40.818 16.235 282 HH22 ARG 37 HH21 ARG 37 48.499 41.672 16.852 283 H LYS 38 H LYS 38 47.181 31.954 16.127 284 HA LYS 38 HA LYS 38 49.529 30.419 16.821 285 HB2 LYS 38 HB2 LYS 38 46.765 30.234 17.345 286 HB3 LYS 38 HB3 LYS 38 47.181 28.802 16.412 287 HG2 LYS 38 HG2 LYS 38 47.572 28.034 18.519 288 HG3 LYS 38 HG3 LYS 38 49.172 28.669 18.126 289 HD2 LYS 38 HD2 LYS 38 48.997 29.823 20.036 290 HD3 LYS 38 HD3 LYS 38 47.883 30.868 19.150 291 HE2 LYS 38 HE2 LYS 38 46.717 30.295 21.094 292 HE3 LYS 38 HE3 LYS 38 46.063 29.218 19.861 293 HZ1 LYS 38 HZ1 LYS 38 48.265 27.960 21.035 294 HZ2 LYS 38 HZ2 LYS 38 46.638 27.505 21.114 295 HZ3 LYS 38 HZ3 LYS 38 47.285 28.538 22.287 296 H LEU 39 H LEU 39 47.632 31.028 14.013 297 HA LEU 39 HA LEU 39 48.591 28.668 12.612 298 HB2 LEU 39 HB2 LEU 39 46.266 29.794 12.395 299 HB3 LEU 39 HB3 LEU 39 47.101 30.929 11.336 300 HG LEU 39 HG LEU 39 47.830 28.858 10.010 301 HD11 LEU 39 HD11 LEU 39 46.181 27.654 12.071 302 HD12 LEU 39 HD12 LEU 39 47.297 26.903 10.932 303 HD13 LEU 39 HD13 LEU 39 45.636 27.241 10.446 304 HD21 LEU 39 HD21 LEU 39 45.728 28.842 8.753 305 HD22 LEU 39 HD22 LEU 39 46.210 30.481 9.194 306 HD23 LEU 39 HD23 LEU 39 44.925 29.668 10.089 307 H LEU 40 H LEU 40 49.420 31.985 13.014 308 HA LEU 40 HA LEU 40 50.896 32.301 10.593 309 HB2 LEU 40 HB2 LEU 40 50.003 34.199 11.860 310 HB3 LEU 40 HB3 LEU 40 51.087 33.813 13.195 311 HG LEU 40 HG LEU 40 52.786 34.118 11.029 312 HD11 LEU 40 HD11 LEU 40 52.201 36.117 9.911 313 HD12 LEU 40 HD12 LEU 40 50.822 36.395 10.975 314 HD13 LEU 40 HD13 LEU 40 50.789 35.065 9.817 315 HD21 LEU 40 HD21 LEU 40 52.042 36.289 12.974 316 HD22 LEU 40 HD22 LEU 40 53.606 35.996 12.214 317 HD23 LEU 40 HD23 LEU 40 52.991 34.873 13.428 318 H GLN 41 H GLN 41 51.821 31.638 13.961 319 HA GLN 41 HA GLN 41 54.597 31.414 13.411 320 HB2 GLN 41 HB2 GLN 41 52.954 31.412 15.696 321 HB3 GLN 41 HB3 GLN 41 53.810 29.875 15.716 322 HG2 GLN 41 HG2 GLN 41 55.931 30.990 15.632 323 HG3 GLN 41 HG3 GLN 41 55.145 32.554 15.420 324 HE21 GLN 41 HE21 GLN 41 55.503 29.851 17.653 325 HE22 GLN 41 HE22 GLN 41 55.265 30.773 19.094 326 H ALA 42 H ALA 42 51.922 29.243 13.145 327 HA ALA 42 HA ALA 42 53.584 26.869 13.040 328 HB1 ALA 42 HB1 ALA 42 50.627 27.308 12.684 329 HB2 ALA 42 HB2 ALA 42 51.405 25.736 12.499 330 HB3 ALA 42 HB3 ALA 42 51.458 26.569 14.053 331 H ALA 43 H ALA 43 52.063 29.108 10.845 332 HA ALA 43 HA ALA 43 52.493 27.419 8.529 333 HB1 ALA 43 HB1 ALA 43 51.491 29.210 7.255 334 HB2 ALA 43 HB2 ALA 43 50.514 28.885 8.687 335 HB3 ALA 43 HB3 ALA 43 51.579 30.290 8.648 336 H ARG 44 H ARG 44 54.147 29.912 10.248 337 HA ARG 44 HA ARG 44 55.797 30.851 8.140 338 HB2 ARG 44 HB2 ARG 44 55.866 31.016 11.124 339 HB3 ARG 44 HB3 ARG 44 57.301 31.468 10.214 340 HG2 ARG 44 HG2 ARG 44 55.154 32.757 8.956 341 HG3 ARG 44 HG3 ARG 44 54.908 32.963 10.691 342 HD2 ARG 44 HD2 ARG 44 56.235 34.785 10.108 343 HD3 ARG 44 HD3 ARG 44 57.390 33.622 10.756 344 HE ARG 44 HE ARG 44 58.390 33.573 8.710 345 HH11 ARG 44 HH12 ARG 44 55.128 34.724 8.319 346 HH12 ARG 44 HH11 ARG 44 55.311 35.061 6.629 347 HH21 ARG 44 HH22 ARG 44 58.644 34.013 6.487 348 HH22 ARG 44 HH21 ARG 44 57.311 34.656 5.588 349 HN1 NH2 45 HN1 NH2 45 56.044 28.202 10.456 350 HN2 NH2 45 HN2 NH2 45 57.501 27.514 9.822 Start of MODEL 3 1 H1 ACE 1 H1 ACE 1 8.284 9.021 -4.858 2 H2 ACE 1 H2 ACE 1 8.921 9.675 -3.330 3 H3 ACE 1 H3 ACE 1 8.895 7.916 -3.604 4 H SER 2 H SER 2 7.604 7.251 -2.044 5 HA SER 2 HA SER 2 4.807 8.131 -2.167 6 HB2 SER 2 HB2 SER 2 5.727 5.700 -0.665 7 HB3 SER 2 HB3 SER 2 4.168 6.012 -1.426 8 HG SER 2 HG SER 2 6.625 5.548 -2.773 9 H LYS 3 H LYS 3 3.722 7.616 0.137 10 HA LYS 3 HA LYS 3 4.522 9.671 1.846 11 HB2 LYS 3 HB2 LYS 3 3.019 8.502 3.530 12 HB3 LYS 3 HB3 LYS 3 2.278 8.940 1.997 13 HG2 LYS 3 HG2 LYS 3 3.403 6.279 1.908 14 HG3 LYS 3 HG3 LYS 3 2.234 6.455 3.218 15 HD2 LYS 3 HD2 LYS 3 0.488 6.771 1.798 16 HD3 LYS 3 HD3 LYS 3 1.478 7.596 0.592 17 HE2 LYS 3 HE2 LYS 3 1.837 5.706 -0.541 18 HE3 LYS 3 HE3 LYS 3 2.232 4.811 0.925 19 HZ1 LYS 3 HZ1 LYS 3 -0.577 5.459 0.487 20 HZ2 LYS 3 HZ2 LYS 3 0.122 4.070 1.152 21 HZ3 LYS 3 HZ3 LYS 3 0.099 4.285 -0.526 22 H LEU 4 H LEU 4 5.449 6.306 1.729 23 HA LEU 4 HA LEU 4 6.536 6.004 4.282 24 HB2 LEU 4 HB2 LEU 4 6.624 4.614 1.755 25 HB3 LEU 4 HB3 LEU 4 8.193 4.565 2.556 26 HG LEU 4 HG LEU 4 6.224 3.917 4.490 27 HD11 LEU 4 HD11 LEU 4 4.873 2.327 3.587 28 HD12 LEU 4 HD12 LEU 4 6.010 1.928 2.300 29 HD13 LEU 4 HD13 LEU 4 5.027 3.387 2.186 30 HD21 LEU 4 HD21 LEU 4 7.553 2.042 4.828 31 HD22 LEU 4 HD22 LEU 4 8.685 3.214 4.151 32 HD23 LEU 4 HD23 LEU 4 8.016 1.940 3.129 33 H LEU 5 H LEU 5 7.809 7.555 1.418 34 HA LEU 5 HA LEU 5 10.494 7.775 2.350 35 HB2 LEU 5 HB2 LEU 5 9.096 8.316 -0.021 36 HB3 LEU 5 HB3 LEU 5 9.774 9.856 0.503 37 HG LEU 5 HG LEU 5 11.789 7.833 0.679 38 HD11 LEU 5 HD11 LEU 5 10.191 6.841 -1.095 39 HD12 LEU 5 HD12 LEU 5 11.913 6.945 -1.455 40 HD13 LEU 5 HD13 LEU 5 10.799 8.135 -2.128 41 HD21 LEU 5 HD21 LEU 5 11.595 10.090 -1.298 42 HD22 LEU 5 HD22 LEU 5 13.043 9.369 -0.598 43 HD23 LEU 5 HD23 LEU 5 11.972 10.347 0.405 44 H LEU 6 H LEU 6 7.604 9.718 2.660 45 HA LEU 6 HA LEU 6 8.769 12.130 3.490 46 HB2 LEU 6 HB2 LEU 6 6.232 11.252 3.035 47 HB3 LEU 6 HB3 LEU 6 6.239 11.407 4.791 48 HG LEU 6 HG LEU 6 7.074 13.785 4.418 49 HD11 LEU 6 HD11 LEU 6 7.670 14.246 2.317 50 HD12 LEU 6 HD12 LEU 6 5.942 14.385 1.996 51 HD13 LEU 6 HD13 LEU 6 6.780 12.869 1.666 52 HD21 LEU 6 HD21 LEU 6 4.578 12.748 4.696 53 HD22 LEU 6 HD22 LEU 6 4.399 13.692 3.217 54 HD23 LEU 6 HD23 LEU 6 4.955 14.471 4.699 55 H ASN 7 H ASN 7 7.749 9.281 5.330 56 HA ASN 7 HA ASN 7 8.261 10.338 7.892 57 HB2 ASN 7 HB2 ASN 7 7.445 7.828 6.773 58 HB3 ASN 7 HB3 ASN 7 8.721 7.540 7.953 59 HD21 ASN 7 HD21 ASN 7 7.713 6.823 9.699 60 HD22 ASN 7 HD22 ASN 7 6.389 7.605 10.487 61 H GLY 8 H GLY 8 10.331 9.003 5.449 62 HA2 GLY 8 HA2 GLY 8 12.547 8.534 7.246 63 HA3 GLY 8 HA3 GLY 8 12.572 8.391 5.495 64 H PHE 9 H PHE 9 11.650 10.980 4.852 65 HA PHE 9 HA PHE 9 14.063 12.413 4.881 66 HB2 PHE 9 HB2 PHE 9 11.852 12.594 3.392 67 HB3 PHE 9 HB3 PHE 9 11.512 13.903 4.520 68 HD1 PHE 9 HD1 PHE 9 14.553 12.684 2.728 69 HD2 PHE 9 HD2 PHE 9 11.998 15.960 3.651 70 HE1 PHE 9 HE1 PHE 9 16.005 14.181 1.422 71 HE2 PHE 9 HE2 PHE 9 13.445 17.462 2.346 72 HZ PHE 9 HZ PHE 9 15.452 16.572 1.228 73 H ASP 10 H ASP 10 11.393 12.332 7.093 74 HA ASP 10 HA ASP 10 11.603 14.757 8.395 75 HB2 ASP 10 HB2 ASP 10 9.974 12.774 8.785 76 HB3 ASP 10 HB3 ASP 10 11.182 12.213 9.938 77 H ASP 11 H ASP 11 13.382 11.758 9.103 78 HA ASP 11 HA ASP 11 14.903 12.749 11.234 79 HB2 ASP 11 HB2 ASP 11 14.718 10.355 10.716 80 HB3 ASP 11 HB3 ASP 11 15.639 10.601 9.234 81 H VAL 12 H VAL 12 15.219 13.171 7.810 82 HA VAL 12 HA VAL 12 17.955 14.081 7.916 83 HB VAL 12 HB VAL 12 15.956 14.337 5.666 84 HG11 VAL 12 HG11 VAL 12 18.960 14.595 5.718 85 HG12 VAL 12 HG12 VAL 12 17.971 14.572 4.257 86 HG13 VAL 12 HG13 VAL 12 17.795 15.885 5.421 87 HG21 VAL 12 HG21 VAL 12 17.437 12.062 6.689 88 HG22 VAL 12 HG22 VAL 12 16.134 12.119 5.502 89 HG23 VAL 12 HG23 VAL 12 17.802 12.389 4.995 90 H HIS 13 H HIS 13 14.754 15.558 7.578 91 HA HIS 13 HA HIS 13 15.519 18.190 7.128 92 HB2 HIS 13 HB2 HIS 13 13.115 16.801 7.804 93 HB3 HIS 13 HB3 HIS 13 13.242 18.224 8.832 94 HD1 HIS 13 HD1 HIS 13 12.160 20.201 7.842 95 HD2 HIS 13 HD2 HIS 13 13.658 17.653 4.923 96 HE1 HIS 13 HE1 HIS 13 11.555 21.266 5.646 97 H PHE 14 H PHE 14 15.649 16.296 10.024 98 HA PHE 14 HA PHE 14 16.035 18.611 11.736 99 HB2 PHE 14 HB2 PHE 14 14.768 16.636 12.543 100 HB3 PHE 14 HB3 PHE 14 16.231 15.667 12.404 101 HD1 PHE 14 HD1 PHE 14 15.273 18.953 13.899 102 HD2 PHE 14 HD2 PHE 14 17.290 15.236 14.382 103 HE1 PHE 14 HE1 PHE 14 15.914 19.601 16.185 104 HE2 PHE 14 HE2 PHE 14 17.933 15.878 16.668 105 HZ PHE 14 HZ PHE 14 17.244 18.063 17.573 106 H LEU 15 H LEU 15 17.918 16.158 10.130 107 HA LEU 15 HA LEU 15 20.302 16.300 11.553 108 HB2 LEU 15 HB2 LEU 15 19.475 15.473 8.864 109 HB3 LEU 15 HB3 LEU 15 21.162 15.965 8.990 110 HG LEU 15 HG LEU 15 19.857 13.815 10.658 111 HD11 LEU 15 HD11 LEU 15 20.032 13.222 8.270 112 HD12 LEU 15 HD12 LEU 15 21.071 12.236 9.298 113 HD13 LEU 15 HD13 LEU 15 21.764 13.544 8.339 114 HD21 LEU 15 HD21 LEU 15 22.641 14.921 10.496 115 HD22 LEU 15 HD22 LEU 15 22.333 13.278 11.058 116 HD23 LEU 15 HD23 LEU 15 21.635 14.651 11.919 117 H GLY 16 H GLY 16 19.074 18.371 8.967 118 HA2 GLY 16 HA2 GLY 16 21.326 19.870 8.395 119 HA3 GLY 16 HA3 GLY 16 19.684 20.492 8.329 120 H SER 17 H SER 17 18.766 20.965 10.622 121 HA SER 17 HA SER 17 20.124 23.117 11.689 122 HB2 SER 17 HB2 SER 17 18.041 21.312 12.923 123 HB3 SER 17 HB3 SER 17 18.633 22.768 13.721 124 HG SER 17 HG SER 17 16.881 22.504 11.640 125 H ASN 18 H ASN 18 20.419 19.723 12.454 126 HA ASN 18 HA ASN 18 21.845 20.032 14.890 127 HB2 ASN 18 HB2 ASN 18 20.821 17.889 13.368 128 HB3 ASN 18 HB3 ASN 18 22.551 17.597 13.524 129 HD21 ASN 18 HD21 ASN 18 19.802 16.715 14.814 130 HD22 ASN 18 HD22 ASN 18 20.237 16.546 16.477 131 H VAL 19 H VAL 19 22.919 19.264 11.581 132 HA VAL 19 HA VAL 19 25.651 19.160 12.052 133 HB VAL 19 HB VAL 19 24.363 20.256 9.551 134 HG11 VAL 19 HG11 VAL 19 26.448 18.986 8.608 135 HG12 VAL 19 HG12 VAL 19 26.617 20.617 9.260 136 HG13 VAL 19 HG13 VAL 19 27.076 19.223 10.238 137 HG21 VAL 19 HG21 VAL 19 25.028 17.562 9.186 138 HG22 VAL 19 HG22 VAL 19 24.188 17.640 10.735 139 HG23 VAL 19 HG23 VAL 19 23.413 18.264 9.279 140 H MET 20 H MET 20 23.533 21.904 11.846 141 HA MET 20 HA MET 20 25.674 23.819 11.530 142 HB2 MET 20 HB2 MET 20 23.476 24.276 10.558 143 HB3 MET 20 HB3 MET 20 22.742 24.213 12.154 144 HG2 MET 20 HG2 MET 20 24.340 26.121 12.753 145 HG3 MET 20 HG3 MET 20 24.573 26.287 11.014 146 HE1 MET 20 HE1 MET 20 21.826 28.757 13.108 147 HE2 MET 20 HE2 MET 20 23.178 27.817 13.739 148 HE3 MET 20 HE3 MET 20 23.434 28.944 12.406 149 H GLU 21 H GLU 21 23.620 22.606 14.125 150 HA GLU 21 HA GLU 21 24.470 24.471 16.088 151 HB2 GLU 21 HB2 GLU 21 22.408 23.322 16.447 152 HB3 GLU 21 HB3 GLU 21 23.181 21.752 16.284 153 HG2 GLU 21 HG2 GLU 21 23.713 21.685 18.436 154 HG3 GLU 21 HG3 GLU 21 24.371 23.319 18.404 155 H GLU 22 H GLU 22 25.716 21.417 14.943 156 HA GLU 22 HA GLU 22 27.549 21.059 17.126 157 HB2 GLU 22 HB2 GLU 22 28.455 19.215 15.779 158 HB3 GLU 22 HB3 GLU 22 26.704 19.124 15.908 159 HG2 GLU 22 HG2 GLU 22 26.458 20.025 13.678 160 HG3 GLU 22 HG3 GLU 22 28.204 20.228 13.544 161 H GLN 23 H GLN 23 27.665 22.434 13.899 162 HA GLN 23 HA GLN 23 30.528 22.809 13.970 163 HB2 GLN 23 HB2 GLN 23 28.566 22.748 11.964 164 HB3 GLN 23 HB3 GLN 23 29.182 24.395 11.967 165 HG2 GLN 23 HG2 GLN 23 31.504 23.333 11.913 166 HG3 GLN 23 HG3 GLN 23 30.669 21.842 11.482 167 HE21 GLN 23 HE21 GLN 23 29.084 22.102 9.636 168 HE22 GLN 23 HE22 GLN 23 29.617 23.048 8.292 169 H ASP 24 H ASP 24 27.683 24.609 14.786 170 HA ASP 24 HA ASP 24 28.969 27.179 14.809 171 HB2 ASP 24 HB2 ASP 24 26.505 26.831 14.447 172 HB3 ASP 24 HB3 ASP 24 26.376 26.390 16.147 173 H LEU 25 H LEU 25 28.447 24.592 17.077 174 HA LEU 25 HA LEU 25 29.132 26.164 19.393 175 HB2 LEU 25 HB2 LEU 25 28.688 23.228 18.932 176 HB3 LEU 25 HB3 LEU 25 29.219 23.867 20.486 177 HG LEU 25 HG LEU 25 26.698 24.848 19.188 178 HD11 LEU 25 HD11 LEU 25 26.751 22.595 21.166 179 HD12 LEU 25 HD12 LEU 25 26.781 22.300 19.428 180 HD13 LEU 25 HD13 LEU 25 25.419 23.153 20.153 181 HD21 LEU 25 HD21 LEU 25 27.806 24.789 21.985 182 HD22 LEU 25 HD22 LEU 25 26.118 25.158 21.630 183 HD23 LEU 25 HD23 LEU 25 27.399 26.194 21.000 184 H ARG 26 H ARG 26 30.820 24.391 16.989 185 HA ARG 26 HA ARG 26 33.238 24.226 18.633 186 HB2 ARG 26 HB2 ARG 26 34.107 22.714 17.034 187 HB3 ARG 26 HB3 ARG 26 32.421 22.262 17.246 188 HG2 ARG 26 HG2 ARG 26 31.894 23.592 15.195 189 HG3 ARG 26 HG3 ARG 26 33.632 23.786 14.955 190 HD2 ARG 26 HD2 ARG 26 32.015 21.251 14.918 191 HD3 ARG 26 HD3 ARG 26 32.978 21.950 13.616 192 HE ARG 26 HE ARG 26 34.750 21.459 15.657 193 HH11 ARG 26 HH12 ARG 26 32.528 19.577 13.750 194 HH12 ARG 26 HH11 ARG 26 33.470 18.126 13.846 195 HH21 ARG 26 HH22 ARG 26 35.999 19.555 15.792 196 HH22 ARG 26 HH21 ARG 26 35.444 18.114 15.009 197 H ASP 27 H ASP 27 31.901 25.826 15.825 198 HA ASP 27 HA ASP 27 34.224 26.899 14.716 199 HB2 ASP 27 HB2 ASP 27 31.338 27.569 14.651 200 HB3 ASP 27 HB3 ASP 27 32.446 28.859 14.193 201 H ILE 28 H ILE 28 32.404 27.839 17.535 202 HA ILE 28 HA ILE 28 33.262 30.449 17.905 203 HB ILE 28 HB ILE 28 32.785 28.361 20.035 204 HG12 ILE 28 HG12 ILE 28 30.847 30.493 19.185 205 HG13 ILE 28 HG13 ILE 28 30.941 28.972 18.303 206 HG21 ILE 28 HG21 ILE 28 32.239 30.415 21.421 207 HG22 ILE 28 HG22 ILE 28 33.943 30.130 21.071 208 HG23 ILE 28 HG23 ILE 28 33.050 31.351 20.165 209 HD11 ILE 28 HD11 ILE 28 29.572 28.076 19.783 210 HD12 ILE 28 HD12 ILE 28 30.790 28.320 21.034 211 HD13 ILE 28 HD13 ILE 28 29.577 29.563 20.730 212 H GLY 29 H GLY 29 35.005 27.470 18.270 213 HA2 GLY 29 HA2 GLY 29 37.284 28.961 19.415 214 HA3 GLY 29 HA3 GLY 29 37.010 27.241 19.651 215 H ILE 30 H ILE 30 36.247 28.110 16.510 216 HA ILE 30 HA ILE 30 38.915 27.275 15.572 217 HB ILE 30 HB ILE 30 36.258 26.770 14.227 218 HG12 ILE 30 HG12 ILE 30 38.115 24.734 15.458 219 HG13 ILE 30 HG13 ILE 30 36.777 25.454 16.347 220 HG21 ILE 30 HG21 ILE 30 38.098 25.102 13.082 221 HG22 ILE 30 HG22 ILE 30 37.539 26.628 12.399 222 HG23 ILE 30 HG23 ILE 30 39.032 26.576 13.336 223 HD11 ILE 30 HD11 ILE 30 35.535 24.615 14.082 224 HD12 ILE 30 HD12 ILE 30 36.774 23.377 14.296 225 HD13 ILE 30 HD13 ILE 30 35.621 23.705 15.590 226 H SER 31 H SER 31 36.482 29.667 15.456 227 HA SER 31 HA SER 31 37.708 30.911 13.088 228 HB2 SER 31 HB2 SER 31 34.981 30.630 13.947 229 HB3 SER 31 HB3 SER 31 35.386 32.343 13.847 230 HG SER 31 HG SER 31 35.091 32.083 11.787 231 H ASP 32 H ASP 32 37.977 30.970 16.329 232 HA ASP 32 HA ASP 32 37.790 33.583 17.180 233 HB2 ASP 32 HB2 ASP 32 39.083 31.185 18.081 234 HB3 ASP 32 HB3 ASP 32 40.170 32.552 18.313 235 HA PRO 33 HA PRO 33 40.821 35.952 15.072 236 HB2 PRO 33 HB2 PRO 33 41.605 37.679 17.015 237 HB3 PRO 33 HB3 PRO 33 40.029 37.777 16.221 238 HG2 PRO 33 HG2 PRO 33 40.744 36.583 18.872 239 HG3 PRO 33 HG3 PRO 33 39.355 37.597 18.440 240 HD2 PRO 33 HD2 PRO 33 39.175 34.906 18.676 241 HD3 PRO 33 HD3 PRO 33 38.188 35.832 17.527 242 H GLN 34 H GLN 34 41.874 35.032 18.354 243 HA GLN 34 HA GLN 34 44.602 35.323 18.029 244 HB2 GLN 34 HB2 GLN 34 43.023 33.361 19.688 245 HB3 GLN 34 HB3 GLN 34 44.775 33.490 19.783 246 HG2 GLN 34 HG2 GLN 34 44.185 36.047 20.156 247 HG3 GLN 34 HG3 GLN 34 42.676 35.347 20.739 248 HE21 GLN 34 HE21 GLN 34 42.659 34.189 22.628 249 HE22 GLN 34 HE22 GLN 34 44.006 34.122 23.707 250 H HIS 35 H HIS 35 42.494 32.848 16.811 251 HA HIS 35 HA HIS 35 44.217 30.746 16.346 252 HB2 HIS 35 HB2 HIS 35 41.627 31.302 15.676 253 HB3 HIS 35 HB3 HIS 35 42.407 31.329 14.098 254 HD1 HIS 35 HD1 HIS 35 40.396 29.138 14.675 255 HD2 HIS 35 HD2 HIS 35 44.464 28.750 15.428 256 HE1 HIS 35 HE1 HIS 35 40.843 26.663 14.697 257 H ARG 36 H ARG 36 43.675 33.615 14.329 258 HA ARG 36 HA ARG 36 45.376 32.893 12.218 259 HB2 ARG 36 HB2 ARG 36 44.006 35.310 13.131 260 HB3 ARG 36 HB3 ARG 36 45.530 35.647 12.321 261 HG2 ARG 36 HG2 ARG 36 44.816 34.573 10.334 262 HG3 ARG 36 HG3 ARG 36 43.401 33.889 11.137 263 HD2 ARG 36 HD2 ARG 36 43.410 36.739 11.441 264 HD3 ARG 36 HD3 ARG 36 43.592 36.322 9.738 265 HE ARG 36 HE ARG 36 41.263 35.934 11.382 266 HH11 ARG 36 HH12 ARG 36 42.964 34.914 8.521 267 HH12 ARG 36 HH11 ARG 36 41.545 34.302 7.738 268 HH21 ARG 36 HH22 ARG 36 39.387 35.132 10.361 269 HH22 ARG 36 HH21 ARG 36 39.511 34.427 8.785 270 H ARG 37 H ARG 37 46.019 34.286 15.351 271 HA ARG 37 HA ARG 37 48.715 35.068 14.731 272 HB2 ARG 37 HB2 ARG 37 47.553 34.672 17.485 273 HB3 ARG 37 HB3 ARG 37 48.892 35.711 17.015 274 HG2 ARG 37 HG2 ARG 37 46.028 36.111 16.176 275 HG3 ARG 37 HG3 ARG 37 46.824 36.953 17.507 276 HD2 ARG 37 HD2 ARG 37 48.467 37.181 15.199 277 HD3 ARG 37 HD3 ARG 37 46.818 37.606 14.743 278 HE ARG 37 HE ARG 37 47.228 38.981 17.050 279 HH11 ARG 37 HH12 ARG 37 48.928 38.756 14.020 280 HH12 ARG 37 HH11 ARG 37 49.543 40.374 14.096 281 HH21 ARG 37 HH22 ARG 37 48.032 41.113 17.161 282 HH22 ARG 37 HH21 ARG 37 49.033 41.713 15.883 283 H LYS 38 H LYS 38 47.126 32.274 16.120 284 HA LYS 38 HA LYS 38 49.597 31.040 16.960 285 HB2 LYS 38 HB2 LYS 38 46.743 30.525 17.267 286 HB3 LYS 38 HB3 LYS 38 47.658 29.059 16.941 287 HG2 LYS 38 HG2 LYS 38 47.883 29.053 19.179 288 HG3 LYS 38 HG3 LYS 38 49.223 30.146 18.824 289 HD2 LYS 38 HD2 LYS 38 48.207 31.866 19.827 290 HD3 LYS 38 HD3 LYS 38 46.677 31.536 19.012 291 HE2 LYS 38 HE2 LYS 38 46.318 31.317 21.363 292 HE3 LYS 38 HE3 LYS 38 46.285 29.701 20.660 293 HZ1 LYS 38 HZ1 LYS 38 48.782 29.714 21.295 294 HZ2 LYS 38 HZ2 LYS 38 47.620 29.403 22.484 295 HZ3 LYS 38 HZ3 LYS 38 48.329 30.935 22.375 296 H LEU 39 H LEU 39 47.652 31.136 14.121 297 HA LEU 39 HA LEU 39 48.819 28.716 13.007 298 HB2 LEU 39 HB2 LEU 39 46.397 29.872 12.680 299 HB3 LEU 39 HB3 LEU 39 47.250 30.507 11.274 300 HG LEU 39 HG LEU 39 45.995 28.520 10.685 301 HD11 LEU 39 HD11 LEU 39 47.663 27.423 9.487 302 HD12 LEU 39 HD12 LEU 39 48.869 27.676 10.747 303 HD13 LEU 39 HD13 LEU 39 48.333 29.032 9.757 304 HD21 LEU 39 HD21 LEU 39 47.144 27.526 13.171 305 HD22 LEU 39 HD22 LEU 39 47.294 26.386 11.833 306 HD23 LEU 39 HD23 LEU 39 45.706 27.000 12.296 307 H LEU 40 H LEU 40 49.339 32.116 12.994 308 HA LEU 40 HA LEU 40 50.767 32.267 10.526 309 HB2 LEU 40 HB2 LEU 40 49.761 34.248 11.419 310 HB3 LEU 40 HB3 LEU 40 50.663 34.084 12.924 311 HG LEU 40 HG LEU 40 52.611 34.259 10.935 312 HD11 LEU 40 HD11 LEU 40 50.840 35.017 9.389 313 HD12 LEU 40 HD12 LEU 40 52.063 36.250 9.694 314 HD13 LEU 40 HD13 LEU 40 50.491 36.354 10.486 315 HD21 LEU 40 HD21 LEU 40 52.532 36.752 11.976 316 HD22 LEU 40 HD22 LEU 40 53.236 35.359 12.797 317 HD23 LEU 40 HD23 LEU 40 51.590 35.868 13.177 318 H GLN 41 H GLN 41 51.755 32.109 13.937 319 HA GLN 41 HA GLN 41 54.540 32.086 13.378 320 HB2 GLN 41 HB2 GLN 41 52.935 32.265 15.661 321 HB3 GLN 41 HB3 GLN 41 53.856 30.782 15.871 322 HG2 GLN 41 HG2 GLN 41 55.216 33.324 15.083 323 HG3 GLN 41 HG3 GLN 41 54.816 32.995 16.768 324 HE21 GLN 41 HE21 GLN 41 57.001 32.457 14.245 325 HE22 GLN 41 HE22 GLN 41 58.011 31.301 15.037 326 H ALA 42 H ALA 42 52.083 29.659 13.420 327 HA ALA 42 HA ALA 42 53.965 27.457 13.588 328 HB1 ALA 42 HB1 ALA 42 52.057 26.767 14.609 329 HB2 ALA 42 HB2 ALA 42 51.014 27.731 13.563 330 HB3 ALA 42 HB3 ALA 42 51.696 26.216 12.973 331 H ALA 43 H ALA 43 52.234 29.255 11.160 332 HA ALA 43 HA ALA 43 52.800 27.332 9.065 333 HB1 ALA 43 HB1 ALA 43 51.719 29.007 7.587 334 HB2 ALA 43 HB2 ALA 43 50.706 28.504 8.940 335 HB3 ALA 43 HB3 ALA 43 51.527 30.064 8.986 336 H ARG 44 H ARG 44 54.231 30.159 10.431 337 HA ARG 44 HA ARG 44 55.773 30.972 8.194 338 HB2 ARG 44 HB2 ARG 44 55.847 31.513 11.133 339 HB3 ARG 44 HB3 ARG 44 57.229 31.975 10.148 340 HG2 ARG 44 HG2 ARG 44 54.958 32.898 8.784 341 HG3 ARG 44 HG3 ARG 44 54.718 33.302 10.485 342 HD2 ARG 44 HD2 ARG 44 55.893 35.139 9.784 343 HD3 ARG 44 HD3 ARG 44 57.214 34.099 10.315 344 HE ARG 44 HE ARG 44 56.657 33.671 7.574 345 HH11 ARG 44 HH12 ARG 44 58.120 35.962 9.750 346 HH12 ARG 44 HH11 ARG 44 59.216 36.587 8.562 347 HH21 ARG 44 HH22 ARG 44 58.094 34.486 6.002 348 HH22 ARG 44 HH21 ARG 44 59.199 35.748 6.430 349 HN1 NH2 45 HN1 NH2 45 56.278 28.666 10.814 350 HN2 NH2 45 HN2 NH2 45 57.788 28.038 10.242 Start of MODEL 4 1 H1 ACE 1 H1 ACE 1 7.257 8.889 -4.335 2 H2 ACE 1 H2 ACE 1 6.558 9.381 -2.774 3 H3 ACE 1 H3 ACE 1 8.308 9.546 -3.057 4 H SER 2 H SER 2 6.818 8.114 -0.993 5 HA SER 2 HA SER 2 7.136 5.308 -1.537 6 HB2 SER 2 HB2 SER 2 9.358 6.807 -0.467 7 HB3 SER 2 HB3 SER 2 8.805 5.615 0.710 8 HG SER 2 HG SER 2 9.052 4.776 -1.933 9 H LYS 3 H LYS 3 6.869 4.029 0.581 10 HA LYS 3 HA LYS 3 4.426 4.640 1.730 11 HB2 LYS 3 HB2 LYS 3 5.162 3.009 3.555 12 HB3 LYS 3 HB3 LYS 3 5.151 2.408 1.902 13 HG2 LYS 3 HG2 LYS 3 7.475 2.426 1.750 14 HG3 LYS 3 HG3 LYS 3 7.649 3.513 3.130 15 HD2 LYS 3 HD2 LYS 3 8.226 1.513 4.096 16 HD3 LYS 3 HD3 LYS 3 6.491 1.536 4.420 17 HE2 LYS 3 HE2 LYS 3 6.704 -0.573 3.566 18 HE3 LYS 3 HE3 LYS 3 6.390 0.323 2.081 19 HZ1 LYS 3 HZ1 LYS 3 8.219 -1.056 1.636 20 HZ2 LYS 3 HZ2 LYS 3 8.989 -0.670 3.091 21 HZ3 LYS 3 HZ3 LYS 3 8.880 0.485 1.860 22 H LEU 4 H LEU 4 7.668 5.502 2.781 23 HA LEU 4 HA LEU 4 6.505 7.006 5.028 24 HB2 LEU 4 HB2 LEU 4 9.200 5.773 4.591 25 HB3 LEU 4 HB3 LEU 4 8.980 7.070 5.763 26 HG LEU 4 HG LEU 4 7.107 5.492 6.699 27 HD11 LEU 4 HD11 LEU 4 7.908 3.098 6.475 28 HD12 LEU 4 HD12 LEU 4 8.838 3.646 5.081 29 HD13 LEU 4 HD13 LEU 4 7.081 3.787 5.078 30 HD21 LEU 4 HD21 LEU 4 10.055 4.988 7.093 31 HD22 LEU 4 HD22 LEU 4 8.772 4.467 8.186 32 HD23 LEU 4 HD23 LEU 4 9.075 6.187 7.938 33 H LEU 5 H LEU 5 6.251 8.130 2.535 34 HA LEU 5 HA LEU 5 8.310 9.782 1.656 35 HB2 LEU 5 HB2 LEU 5 6.704 10.940 0.413 36 HB3 LEU 5 HB3 LEU 5 6.074 9.300 0.556 37 HG LEU 5 HG LEU 5 5.172 11.594 2.290 38 HD11 LEU 5 HD11 LEU 5 3.222 10.684 0.391 39 HD12 LEU 5 HD12 LEU 5 4.673 11.243 -0.441 40 HD13 LEU 5 HD13 LEU 5 3.831 12.314 0.679 41 HD21 LEU 5 HD21 LEU 5 4.536 9.727 3.442 42 HD22 LEU 5 HD22 LEU 5 4.431 8.729 1.991 43 HD23 LEU 5 HD23 LEU 5 3.157 9.894 2.355 44 H LEU 6 H LEU 6 6.200 10.084 4.392 45 HA LEU 6 HA LEU 6 7.305 12.758 4.947 46 HB2 LEU 6 HB2 LEU 6 4.726 12.233 4.726 47 HB3 LEU 6 HB3 LEU 6 4.927 11.712 6.397 48 HG LEU 6 HG LEU 6 5.830 14.436 5.537 49 HD11 LEU 6 HD11 LEU 6 3.414 13.957 4.851 50 HD12 LEU 6 HD12 LEU 6 3.715 15.374 5.856 51 HD13 LEU 6 HD13 LEU 6 3.069 13.901 6.580 52 HD21 LEU 6 HD21 LEU 6 5.191 14.902 7.926 53 HD22 LEU 6 HD22 LEU 6 6.554 13.805 7.705 54 HD23 LEU 6 HD23 LEU 6 4.964 13.165 8.124 55 H ASN 7 H ASN 7 6.226 9.777 6.576 56 HA ASN 7 HA ASN 7 7.297 10.280 9.084 57 HB2 ASN 7 HB2 ASN 7 5.785 8.353 8.350 58 HB3 ASN 7 HB3 ASN 7 7.256 7.538 7.828 59 HD21 ASN 7 HD21 ASN 7 5.406 8.664 10.535 60 HD22 ASN 7 HD22 ASN 7 6.289 7.815 11.753 61 H GLY 8 H GLY 8 8.876 9.333 6.137 62 HA2 GLY 8 HA2 GLY 8 11.347 8.615 7.499 63 HA3 GLY 8 HA3 GLY 8 11.058 8.567 5.766 64 H PHE 9 H PHE 9 10.331 11.061 5.114 65 HA PHE 9 HA PHE 9 12.727 12.460 4.975 66 HB2 PHE 9 HB2 PHE 9 10.327 12.713 3.761 67 HB3 PHE 9 HB3 PHE 9 10.251 14.081 4.866 68 HD1 PHE 9 HD1 PHE 9 12.142 15.769 4.807 69 HD2 PHE 9 HD2 PHE 9 11.542 12.841 1.777 70 HE1 PHE 9 HE1 PHE 9 13.513 17.099 3.256 71 HE2 PHE 9 HE2 PHE 9 12.912 14.166 0.221 72 HZ PHE 9 HZ PHE 9 13.901 16.297 0.960 73 H ASP 10 H ASP 10 10.304 12.429 7.449 74 HA ASP 10 HA ASP 10 10.692 14.847 8.724 75 HB2 ASP 10 HB2 ASP 10 9.068 12.915 9.285 76 HB3 ASP 10 HB3 ASP 10 10.380 12.292 10.281 77 H ASP 11 H ASP 11 12.436 11.801 9.338 78 HA ASP 11 HA ASP 11 14.201 12.769 11.263 79 HB2 ASP 11 HB2 ASP 11 14.042 10.411 10.942 80 HB3 ASP 11 HB3 ASP 11 14.485 10.545 9.242 81 H VAL 12 H VAL 12 14.216 13.115 7.803 82 HA VAL 12 HA VAL 12 16.955 13.981 7.634 83 HB VAL 12 HB VAL 12 14.741 14.290 5.601 84 HG11 VAL 12 HG11 VAL 12 16.387 15.739 4.883 85 HG12 VAL 12 HG12 VAL 12 17.693 14.750 5.538 86 HG13 VAL 12 HG13 VAL 12 16.850 14.242 4.074 87 HG21 VAL 12 HG21 VAL 12 16.392 12.299 4.704 88 HG22 VAL 12 HG22 VAL 12 16.335 11.987 6.439 89 HG23 VAL 12 HG23 VAL 12 14.840 12.053 5.505 90 H HIS 13 H HIS 13 13.777 15.541 7.641 91 HA HIS 13 HA HIS 13 14.568 18.154 7.105 92 HB2 HIS 13 HB2 HIS 13 12.204 16.830 8.025 93 HB3 HIS 13 HB3 HIS 13 12.470 18.262 9.015 94 HD1 HIS 13 HD1 HIS 13 11.234 20.189 8.115 95 HD2 HIS 13 HD2 HIS 13 12.600 17.698 5.084 96 HE1 HIS 13 HE1 HIS 13 10.474 21.261 5.971 97 H PHE 14 H PHE 14 14.938 16.248 9.968 98 HA PHE 14 HA PHE 14 15.514 18.531 11.660 99 HB2 PHE 14 HB2 PHE 14 14.362 16.433 12.478 100 HB3 PHE 14 HB3 PHE 14 15.909 15.609 12.313 101 HD1 PHE 14 HD2 PHE 14 14.703 18.834 13.763 102 HD2 PHE 14 HD1 PHE 14 17.030 15.308 14.280 103 HE1 PHE 14 HE2 PHE 14 15.341 19.589 16.016 104 HE2 PHE 14 HE1 PHE 14 17.671 16.057 16.534 105 HZ PHE 14 HZ PHE 14 16.827 18.201 17.405 106 H LEU 15 H LEU 15 17.250 15.983 9.974 107 HA LEU 15 HA LEU 15 19.763 16.209 11.098 108 HB2 LEU 15 HB2 LEU 15 18.630 15.183 8.647 109 HB3 LEU 15 HB3 LEU 15 20.224 15.882 8.368 110 HG LEU 15 HG LEU 15 19.587 13.700 10.354 111 HD11 LEU 15 HD11 LEU 15 20.098 12.173 8.801 112 HD12 LEU 15 HD12 LEU 15 21.404 13.149 8.130 113 HD13 LEU 15 HD13 LEU 15 19.736 13.452 7.642 114 HD21 LEU 15 HD21 LEU 15 22.019 13.522 10.578 115 HD22 LEU 15 HD22 LEU 15 21.434 15.106 11.087 116 HD23 LEU 15 HD23 LEU 15 22.218 14.917 9.517 117 H GLY 16 H GLY 16 18.245 18.222 8.626 118 HA2 GLY 16 HA2 GLY 16 20.407 19.714 7.767 119 HA3 GLY 16 HA3 GLY 16 18.767 20.333 7.885 120 H SER 17 H SER 17 18.124 20.854 10.257 121 HA SER 17 HA SER 17 19.598 23.022 11.120 122 HB2 SER 17 HB2 SER 17 17.226 22.429 11.770 123 HB3 SER 17 HB3 SER 17 17.907 21.302 12.944 124 HG SER 17 HG SER 17 17.387 23.511 13.694 125 H ASN 18 H ASN 18 19.971 19.641 11.918 126 HA ASN 18 HA ASN 18 21.669 19.988 14.165 127 HB2 ASN 18 HB2 ASN 18 20.452 17.831 12.866 128 HB3 ASN 18 HB3 ASN 18 22.181 17.535 12.704 129 HD21 ASN 18 HD21 ASN 18 19.776 16.559 14.438 130 HD22 ASN 18 HD22 ASN 18 20.481 16.436 16.010 131 H VAL 19 H VAL 19 22.364 19.164 10.768 132 HA VAL 19 HA VAL 19 25.129 19.065 10.923 133 HB VAL 19 HB VAL 19 23.563 20.141 8.576 134 HG11 VAL 19 HG11 VAL 19 26.357 19.317 9.011 135 HG12 VAL 19 HG12 VAL 19 25.602 18.714 7.534 136 HG13 VAL 19 HG13 VAL 19 25.674 20.449 7.844 137 HG21 VAL 19 HG21 VAL 19 22.598 18.147 8.415 138 HG22 VAL 19 HG22 VAL 19 24.194 17.436 8.174 139 HG23 VAL 19 HG23 VAL 19 23.512 17.543 9.797 140 H MET 20 H MET 20 23.006 21.815 10.924 141 HA MET 20 HA MET 20 25.100 23.719 10.352 142 HB2 MET 20 HB2 MET 20 22.804 24.171 9.634 143 HB3 MET 20 HB3 MET 20 22.261 24.130 11.306 144 HG2 MET 20 HG2 MET 20 23.934 26.038 11.683 145 HG3 MET 20 HG3 MET 20 23.941 26.185 9.927 146 HE1 MET 20 HE1 MET 20 21.937 26.382 8.527 147 HE2 MET 20 HE2 MET 20 20.549 27.388 8.944 148 HE3 MET 20 HE3 MET 20 22.160 28.100 8.858 149 H GLU 21 H GLU 21 23.363 22.526 13.175 150 HA GLU 21 HA GLU 21 24.427 24.410 15.012 151 HB2 GLU 21 HB2 GLU 21 22.423 23.257 15.612 152 HB3 GLU 21 HB3 GLU 21 23.182 21.688 15.381 153 HG2 GLU 21 HG2 GLU 21 23.956 21.650 17.458 154 HG3 GLU 21 HG3 GLU 21 24.593 23.289 17.334 155 H GLU 22 H GLU 22 25.550 21.360 13.743 156 HA GLU 22 HA GLU 22 27.624 21.027 15.708 157 HB2 GLU 22 HB2 GLU 22 28.374 19.171 14.274 158 HB3 GLU 22 HB3 GLU 22 26.657 19.071 14.634 159 HG2 GLU 22 HG2 GLU 22 26.112 19.941 12.444 160 HG3 GLU 22 HG3 GLU 22 27.824 20.149 12.078 161 H GLN 23 H GLN 23 27.356 22.351 12.467 162 HA GLN 23 HA GLN 23 30.207 22.740 12.205 163 HB2 GLN 23 HB2 GLN 23 28.037 22.615 10.432 164 HB3 GLN 23 HB3 GLN 23 28.626 24.269 10.331 165 HG2 GLN 23 HG2 GLN 23 30.944 23.228 10.045 166 HG3 GLN 23 HG3 GLN 23 30.082 21.723 9.732 167 HE21 GLN 23 HE21 GLN 23 28.285 21.959 8.074 168 HE22 GLN 23 HE22 GLN 23 28.666 22.878 6.662 169 H ASP 24 H ASP 24 27.491 24.502 13.385 170 HA ASP 24 HA ASP 24 28.710 27.101 13.164 171 HB2 ASP 24 HB2 ASP 24 26.244 26.769 13.135 172 HB3 ASP 24 HB3 ASP 24 26.323 26.249 14.816 173 H LEU 25 H LEU 25 28.647 24.527 15.482 174 HA LEU 25 HA LEU 25 29.611 26.176 17.657 175 HB2 LEU 25 HB2 LEU 25 28.573 23.485 17.326 176 HB3 LEU 25 HB3 LEU 25 29.990 23.529 18.374 177 HG LEU 25 HG LEU 25 27.898 23.647 19.642 178 HD11 LEU 25 HD11 LEU 25 28.548 25.365 21.103 179 HD12 LEU 25 HD12 LEU 25 29.264 26.317 19.803 180 HD13 LEU 25 HD13 LEU 25 30.041 24.826 20.335 181 HD21 LEU 25 HD21 LEU 25 26.229 25.118 19.254 182 HD22 LEU 25 HD22 LEU 25 26.904 25.116 17.625 183 HD23 LEU 25 HD23 LEU 25 27.328 26.403 18.754 184 H ARG 26 H ARG 26 30.905 24.083 15.200 185 HA ARG 26 HA ARG 26 33.527 23.969 16.443 186 HB2 ARG 26 HB2 ARG 26 34.155 22.536 14.622 187 HB3 ARG 26 HB3 ARG 26 32.569 22.031 15.190 188 HG2 ARG 26 HG2 ARG 26 32.004 22.057 13.033 189 HG3 ARG 26 HG3 ARG 26 31.919 23.809 13.229 190 HD2 ARG 26 HD2 ARG 26 33.406 23.886 11.559 191 HD3 ARG 26 HD3 ARG 26 34.586 23.403 12.777 192 HE ARG 26 HE ARG 26 33.637 21.037 11.922 193 HH11 ARG 26 HH12 ARG 26 34.835 23.836 10.234 194 HH12 ARG 26 HH11 ARG 26 35.447 22.926 8.892 195 HH21 ARG 26 HH22 ARG 26 34.437 19.829 10.161 196 HH22 ARG 26 HH21 ARG 26 35.219 20.647 8.851 197 H ASP 27 H ASP 27 31.857 25.727 13.941 198 HA ASP 27 HA ASP 27 34.026 26.752 12.513 199 HB2 ASP 27 HB2 ASP 27 31.916 27.110 11.550 200 HB3 ASP 27 HB3 ASP 27 31.249 27.775 13.039 201 H ILE 28 H ILE 28 32.403 27.997 15.409 202 HA ILE 28 HA ILE 28 33.775 30.402 15.669 203 HB ILE 28 HB ILE 28 32.839 28.630 17.927 204 HG12 ILE 28 HG12 ILE 28 31.040 29.055 16.317 205 HG13 ILE 28 HG13 ILE 28 30.751 29.923 17.821 206 HG21 ILE 28 HG21 ILE 28 32.588 30.829 19.106 207 HG22 ILE 28 HG22 ILE 28 34.251 30.344 18.779 208 HG23 ILE 28 HG23 ILE 28 33.476 31.568 17.773 209 HD11 ILE 28 HD11 ILE 28 30.215 31.276 15.866 210 HD12 ILE 28 HD12 ILE 28 31.536 31.980 16.799 211 HD13 ILE 28 HD13 ILE 28 31.877 31.117 15.300 212 H GLY 29 H GLY 29 34.823 27.152 16.279 213 HA2 GLY 29 HA2 GLY 29 37.110 27.960 17.866 214 HA3 GLY 29 HA3 GLY 29 36.726 26.328 17.340 215 H ILE 30 H ILE 30 36.403 27.361 14.527 216 HA ILE 30 HA ILE 30 39.241 27.209 13.845 217 HB ILE 30 HB ILE 30 36.884 27.068 11.968 218 HG12 ILE 30 HG12 ILE 30 38.424 24.788 13.227 219 HG13 ILE 30 HG13 ILE 30 36.801 25.284 13.695 220 HG21 ILE 30 HG21 ILE 30 38.869 27.584 10.779 221 HG22 ILE 30 HG22 ILE 30 39.803 26.399 11.690 222 HG23 ILE 30 HG23 ILE 30 38.576 25.861 10.544 223 HD11 ILE 30 HD11 ILE 30 36.529 23.430 12.288 224 HD12 ILE 30 HD12 ILE 30 36.132 24.833 11.296 225 HD13 ILE 30 HD13 ILE 30 37.698 24.041 11.118 226 H SER 31 H SER 31 36.789 29.509 14.146 227 HA SER 31 HA SER 31 38.156 31.358 12.308 228 HB2 SER 31 HB2 SER 31 35.376 30.824 12.797 229 HB3 SER 31 HB3 SER 31 35.727 32.504 13.203 230 HG SER 31 HG SER 31 35.742 31.230 10.753 231 H ASP 32 H ASP 32 38.121 30.534 15.459 232 HA ASP 32 HA ASP 32 37.772 32.817 16.958 233 HB2 ASP 32 HB2 ASP 32 39.061 30.274 17.300 234 HB3 ASP 32 HB3 ASP 32 40.069 31.537 18.001 235 HA PRO 33 HA PRO 33 40.904 35.692 15.878 236 HB2 PRO 33 HB2 PRO 33 41.458 36.822 18.284 237 HB3 PRO 33 HB3 PRO 33 39.956 37.125 17.403 238 HG2 PRO 33 HG2 PRO 33 40.470 35.252 19.681 239 HG3 PRO 33 HG3 PRO 33 39.094 36.338 19.414 240 HD2 PRO 33 HD2 PRO 33 38.978 33.685 18.888 241 HD3 PRO 33 HD3 PRO 33 38.069 34.885 17.948 242 H GLN 34 H GLN 34 41.689 33.905 18.864 243 HA GLN 34 HA GLN 34 44.426 34.291 18.888 244 HB2 GLN 34 HB2 GLN 34 42.768 31.943 19.797 245 HB3 GLN 34 HB3 GLN 34 44.499 32.051 20.086 246 HG2 GLN 34 HG2 GLN 34 43.496 34.481 20.971 247 HG3 GLN 34 HG3 GLN 34 42.308 33.290 21.497 248 HE21 GLN 34 HE21 GLN 34 43.478 31.207 22.348 249 HE22 GLN 34 HE22 GLN 34 44.704 31.513 23.526 250 H HIS 35 H HIS 35 42.509 32.235 16.851 251 HA HIS 35 HA HIS 35 44.332 30.350 15.995 252 HB2 HIS 35 HB2 HIS 35 41.793 31.051 15.266 253 HB3 HIS 35 HB3 HIS 35 42.706 31.510 13.832 254 HD1 HIS 35 HD1 HIS 35 40.721 29.232 13.611 255 HD2 HIS 35 HD2 HIS 35 44.718 28.680 14.601 256 HE1 HIS 35 HE1 HIS 35 41.240 26.847 13.006 257 H ARG 36 H ARG 36 44.088 33.737 15.131 258 HA ARG 36 HA ARG 36 45.822 33.693 12.905 259 HB2 ARG 36 HB2 ARG 36 44.351 35.633 14.348 260 HB3 ARG 36 HB3 ARG 36 46.021 36.183 14.314 261 HG2 ARG 36 HG2 ARG 36 44.939 35.208 11.754 262 HG3 ARG 36 HG3 ARG 36 44.235 36.701 12.380 263 HD2 ARG 36 HD2 ARG 36 46.109 37.885 12.010 264 HD3 ARG 36 HD3 ARG 36 47.160 36.571 12.536 265 HE ARG 36 HE ARG 36 46.140 35.796 10.096 266 HH11 ARG 36 HH12 ARG 36 48.049 38.435 11.326 267 HH12 ARG 36 HH11 ARG 36 48.908 38.677 9.842 268 HH21 ARG 36 HH22 ARG 36 47.265 36.105 8.136 269 HH22 ARG 36 HH21 ARG 36 48.461 37.351 8.027 270 H ARG 37 H ARG 37 46.387 34.179 16.361 271 HA ARG 37 HA ARG 37 49.153 34.782 16.107 272 HB2 ARG 37 HB2 ARG 37 47.446 33.889 18.425 273 HB3 ARG 37 HB3 ARG 37 49.172 34.181 18.590 274 HG2 ARG 37 HG2 ARG 37 48.761 36.499 17.718 275 HG3 ARG 37 HG3 ARG 37 47.034 36.162 17.858 276 HD2 ARG 37 HD2 ARG 37 47.133 36.000 20.184 277 HD3 ARG 37 HD3 ARG 37 48.880 35.763 20.184 278 HE ARG 37 HE ARG 37 48.142 38.314 19.143 279 HH11 ARG 37 HH12 ARG 37 48.622 36.514 22.084 280 HH12 ARG 37 HH11 ARG 37 48.984 37.916 23.037 281 HH21 ARG 37 HH22 ARG 37 48.616 40.167 20.387 282 HH22 ARG 37 HH21 ARG 37 48.979 39.993 22.071 283 H LYS 38 H LYS 38 47.316 31.825 16.437 284 HA LYS 38 HA LYS 38 49.649 30.194 16.926 285 HB2 LYS 38 HB2 LYS 38 46.738 29.807 16.855 286 HB3 LYS 38 HB3 LYS 38 47.656 28.446 16.225 287 HG2 LYS 38 HG2 LYS 38 48.485 27.893 18.247 288 HG3 LYS 38 HG3 LYS 38 48.600 29.571 18.781 289 HD2 LYS 38 HD2 LYS 38 45.876 28.481 18.394 290 HD3 LYS 38 HD3 LYS 38 46.799 27.844 19.757 291 HE2 LYS 38 HE2 LYS 38 47.106 30.681 19.666 292 HE3 LYS 38 HE3 LYS 38 45.389 30.288 19.580 293 HZ1 LYS 38 HZ1 LYS 38 47.207 29.138 21.619 294 HZ2 LYS 38 HZ2 LYS 38 45.517 29.093 21.598 295 HZ3 LYS 38 HZ3 LYS 38 46.320 30.557 21.872 296 H LEU 39 H LEU 39 47.891 31.356 14.202 297 HA LEU 39 HA LEU 39 48.970 29.345 12.401 298 HB2 LEU 39 HB2 LEU 39 46.640 30.405 12.260 299 HB3 LEU 39 HB3 LEU 39 47.466 31.815 11.598 300 HG LEU 39 HG LEU 39 48.359 30.309 9.789 301 HD11 LEU 39 HD11 LEU 39 48.182 28.138 10.531 302 HD12 LEU 39 HD12 LEU 39 46.771 28.265 9.482 303 HD13 LEU 39 HD13 LEU 39 46.583 28.392 11.231 304 HD21 LEU 39 HD21 LEU 39 45.729 30.000 9.012 305 HD22 LEU 39 HD22 LEU 39 46.731 31.429 8.758 306 HD23 LEU 39 HD23 LEU 39 45.668 31.335 10.163 307 H LEU 40 H LEU 40 49.712 32.513 13.524 308 HA LEU 40 HA LEU 40 51.347 33.279 11.296 309 HB2 LEU 40 HB2 LEU 40 50.362 35.012 12.598 310 HB3 LEU 40 HB3 LEU 40 51.038 34.357 14.088 311 HG LEU 40 HG LEU 40 53.003 35.171 12.044 312 HD11 LEU 40 HD11 LEU 40 51.757 37.359 13.642 313 HD12 LEU 40 HD12 LEU 40 51.041 36.891 12.101 314 HD13 LEU 40 HD13 LEU 40 52.713 37.447 12.163 315 HD21 LEU 40 HD21 LEU 40 54.254 35.840 13.930 316 HD22 LEU 40 HD22 LEU 40 53.462 34.333 14.389 317 HD23 LEU 40 HD23 LEU 40 52.825 35.875 14.963 318 H GLN 41 H GLN 41 51.908 31.873 14.486 319 HA GLN 41 HA GLN 41 54.757 31.926 14.272 320 HB2 GLN 41 HB2 GLN 41 52.971 31.528 16.325 321 HB3 GLN 41 HB3 GLN 41 53.620 29.913 16.073 322 HG2 GLN 41 HG2 GLN 41 55.708 30.490 16.761 323 HG3 GLN 41 HG3 GLN 41 55.543 32.162 16.229 324 HE21 GLN 41 HE21 GLN 41 56.438 32.764 18.267 325 HE22 GLN 41 HE22 GLN 41 55.445 32.806 19.679 326 H ALA 42 H ALA 42 52.261 29.771 13.236 327 HA ALA 42 HA ALA 42 54.074 27.542 12.823 328 HB1 ALA 42 HB1 ALA 42 52.137 26.334 12.040 329 HB2 ALA 42 HB2 ALA 42 51.743 27.165 13.545 330 HB3 ALA 42 HB3 ALA 42 51.185 27.819 12.005 331 H ALA 43 H ALA 43 52.498 30.057 10.954 332 HA ALA 43 HA ALA 43 53.296 28.952 8.412 333 HB1 ALA 43 HB1 ALA 43 51.262 30.175 8.425 334 HB2 ALA 43 HB2 ALA 43 52.027 31.568 9.191 335 HB3 ALA 43 HB3 ALA 43 52.434 31.142 7.529 336 H ARG 44 H ARG 44 54.636 31.082 10.771 337 HA ARG 44 HA ARG 44 56.462 32.413 9.004 338 HB2 ARG 44 HB2 ARG 44 55.896 33.623 10.948 339 HB3 ARG 44 HB3 ARG 44 56.196 32.242 11.995 340 HG2 ARG 44 HG2 ARG 44 58.418 32.627 12.097 341 HG3 ARG 44 HG3 ARG 44 58.501 33.229 10.440 342 HD2 ARG 44 HD2 ARG 44 58.839 35.191 11.536 343 HD3 ARG 44 HD3 ARG 44 57.076 35.204 11.503 344 HE ARG 44 HE ARG 44 57.946 33.892 13.830 345 HH11 ARG 44 HH12 ARG 44 57.841 37.072 12.416 346 HH12 ARG 44 HH11 ARG 44 57.782 37.891 13.942 347 HH21 ARG 44 HH22 ARG 44 57.869 34.958 15.845 348 HH22 ARG 44 HH21 ARG 44 57.799 36.688 15.892 349 HN1 NH2 45 HN1 NH2 45 56.436 29.452 10.833 350 HN2 NH2 45 HN2 NH2 45 58.061 28.962 10.488 Start of MODEL 5 1 H1 ACE 1 H1 ACE 1 8.165 10.516 -4.543 2 H2 ACE 1 H2 ACE 1 7.437 9.679 -5.934 3 H3 ACE 1 H3 ACE 1 6.454 10.788 -4.949 4 H SER 2 H SER 2 8.574 9.139 -3.025 5 HA SER 2 HA SER 2 6.699 6.932 -2.528 6 HB2 SER 2 HB2 SER 2 9.276 6.905 -1.103 7 HB3 SER 2 HB3 SER 2 8.469 5.619 -2.000 8 HG SER 2 HG SER 2 9.938 6.020 -3.448 9 H LYS 3 H LYS 3 7.083 6.230 -0.019 10 HA LYS 3 HA LYS 3 5.877 8.389 1.469 11 HB2 LYS 3 HB2 LYS 3 5.847 5.558 1.585 12 HB3 LYS 3 HB3 LYS 3 6.492 6.127 3.119 13 HG2 LYS 3 HG2 LYS 3 4.416 7.769 2.949 14 HG3 LYS 3 HG3 LYS 3 3.788 6.453 1.954 15 HD2 LYS 3 HD2 LYS 3 4.807 5.090 4.080 16 HD3 LYS 3 HD3 LYS 3 4.253 6.579 4.850 17 HE2 LYS 3 HE2 LYS 3 2.550 4.909 3.010 18 HE3 LYS 3 HE3 LYS 3 2.562 4.727 4.763 19 HZ1 LYS 3 HZ1 LYS 3 0.867 6.191 4.568 20 HZ2 LYS 3 HZ2 LYS 3 1.440 6.862 3.125 21 HZ3 LYS 3 HZ3 LYS 3 2.129 7.318 4.601 22 H LEU 4 H LEU 4 8.941 6.675 1.410 23 HA LEU 4 HA LEU 4 9.969 7.749 3.826 24 HB2 LEU 4 HB2 LEU 4 12.114 6.931 3.072 25 HB3 LEU 4 HB3 LEU 4 10.861 5.727 2.778 26 HG LEU 4 HG LEU 4 11.164 7.304 0.425 27 HD11 LEU 4 HD11 LEU 4 13.401 7.827 1.359 28 HD12 LEU 4 HD12 LEU 4 13.461 6.912 -0.147 29 HD13 LEU 4 HD13 LEU 4 13.751 6.098 1.390 30 HD21 LEU 4 HD21 LEU 4 10.380 5.184 0.072 31 HD22 LEU 4 HD22 LEU 4 11.466 4.463 1.260 32 HD23 LEU 4 HD23 LEU 4 12.084 4.952 -0.319 33 H LEU 5 H LEU 5 9.773 8.925 0.564 34 HA LEU 5 HA LEU 5 11.798 10.842 0.572 35 HB2 LEU 5 HB2 LEU 5 9.990 10.032 -1.234 36 HB3 LEU 5 HB3 LEU 5 9.245 11.551 -0.743 37 HG LEU 5 HG LEU 5 12.116 11.624 -1.489 38 HD11 LEU 5 HD11 LEU 5 10.865 10.150 -3.168 39 HD12 LEU 5 HD12 LEU 5 11.777 11.522 -3.794 40 HD13 LEU 5 HD13 LEU 5 10.024 11.627 -3.637 41 HD21 LEU 5 HD21 LEU 5 11.375 13.764 -2.494 42 HD22 LEU 5 HD22 LEU 5 11.031 13.648 -0.768 43 HD23 LEU 5 HD23 LEU 5 9.735 13.418 -1.943 44 H LEU 6 H LEU 6 8.715 10.807 2.151 45 HA LEU 6 HA LEU 6 9.165 13.575 3.057 46 HB2 LEU 6 HB2 LEU 6 6.742 12.148 2.184 47 HB3 LEU 6 HB3 LEU 6 6.556 13.146 3.625 48 HG LEU 6 HG LEU 6 5.900 14.322 1.570 49 HD11 LEU 6 HD11 LEU 6 6.515 16.191 2.590 50 HD12 LEU 6 HD12 LEU 6 8.196 15.946 2.118 51 HD13 LEU 6 HD13 LEU 6 7.589 15.239 3.615 52 HD21 LEU 6 HD21 LEU 6 7.628 14.994 -0.039 53 HD22 LEU 6 HD22 LEU 6 7.407 13.245 0.001 54 HD23 LEU 6 HD23 LEU 6 8.797 13.977 0.803 55 H ASN 7 H ASN 7 7.323 10.711 4.128 56 HA ASN 7 HA ASN 7 7.405 11.301 6.851 57 HB2 ASN 7 HB2 ASN 7 7.275 8.561 5.571 58 HB3 ASN 7 HB3 ASN 7 6.788 8.962 7.216 59 HD21 ASN 7 HD21 ASN 7 4.935 10.254 7.532 60 HD22 ASN 7 HD22 ASN 7 3.712 10.367 6.316 61 H GLY 8 H GLY 8 9.780 9.836 4.774 62 HA2 GLY 8 HA2 GLY 8 11.390 8.882 7.000 63 HA3 GLY 8 HA3 GLY 8 11.780 8.740 5.292 64 H PHE 9 H PHE 9 11.323 11.594 4.785 65 HA PHE 9 HA PHE 9 13.956 12.513 5.302 66 HB2 PHE 9 HB2 PHE 9 12.038 13.169 3.488 67 HB3 PHE 9 HB3 PHE 9 11.929 14.536 4.592 68 HD1 PHE 9 HD2 PHE 9 14.333 15.494 5.294 69 HD2 PHE 9 HD1 PHE 9 13.453 13.382 1.705 70 HE1 PHE 9 HE2 PHE 9 16.289 16.523 4.213 71 HE2 PHE 9 HE1 PHE 9 15.408 14.406 0.618 72 HZ PHE 9 HZ PHE 9 16.828 15.980 1.872 73 H ASP 10 H ASP 10 10.935 12.833 6.965 74 HA ASP 10 HA ASP 10 11.288 15.142 8.440 75 HB2 ASP 10 HB2 ASP 10 9.282 13.546 8.396 76 HB3 ASP 10 HB3 ASP 10 10.135 12.626 9.632 77 H ASP 11 H ASP 11 12.283 11.845 9.356 78 HA ASP 11 HA ASP 11 13.527 12.492 11.762 79 HB2 ASP 11 HB2 ASP 11 13.461 10.212 9.951 80 HB3 ASP 11 HB3 ASP 11 15.027 10.387 10.738 81 H VAL 12 H VAL 12 14.586 12.937 8.494 82 HA VAL 12 HA VAL 12 17.361 13.336 9.186 83 HB VAL 12 HB VAL 12 15.964 14.013 6.596 84 HG11 VAL 12 HG11 VAL 12 18.738 13.229 6.428 85 HG12 VAL 12 HG12 VAL 12 17.942 14.686 5.830 86 HG13 VAL 12 HG13 VAL 12 18.530 14.619 7.492 87 HG21 VAL 12 HG21 VAL 12 15.608 11.696 6.956 88 HG22 VAL 12 HG22 VAL 12 16.959 11.825 5.830 89 HG23 VAL 12 HG23 VAL 12 17.259 11.460 7.530 90 H HIS 13 H HIS 13 14.574 15.347 8.366 91 HA HIS 13 HA HIS 13 15.833 17.817 8.166 92 HB2 HIS 13 HB2 HIS 13 13.144 16.847 8.398 93 HB3 HIS 13 HB3 HIS 13 13.345 18.245 9.449 94 HD1 HIS 13 HD1 HIS 13 13.309 20.494 8.357 95 HD2 HIS 13 HD2 HIS 13 13.779 17.408 5.616 96 HE1 HIS 13 HE1 HIS 13 13.135 21.574 6.092 97 H PHE 14 H PHE 14 15.159 15.878 10.950 98 HA PHE 14 HA PHE 14 15.485 18.023 12.847 99 HB2 PHE 14 HB2 PHE 14 14.067 15.964 13.234 100 HB3 PHE 14 HB3 PHE 14 15.566 15.055 13.402 101 HD1 PHE 14 HD1 PHE 14 13.569 17.806 14.850 102 HD2 PHE 14 HD2 PHE 14 16.779 15.068 15.415 103 HE1 PHE 14 HE1 PHE 14 13.665 18.415 17.232 104 HE2 PHE 14 HE2 PHE 14 16.879 15.673 17.798 105 HZ PHE 14 HZ PHE 14 15.320 17.347 18.709 106 H LEU 15 H LEU 15 17.419 15.274 11.721 107 HA LEU 15 HA LEU 15 19.611 15.598 13.416 108 HB2 LEU 15 HB2 LEU 15 18.950 14.071 11.103 109 HB3 LEU 15 HB3 LEU 15 20.557 14.759 10.880 110 HG LEU 15 HG LEU 15 20.679 12.516 11.816 111 HD11 LEU 15 HD11 LEU 15 22.322 14.307 12.445 112 HD12 LEU 15 HD12 LEU 15 22.193 12.969 13.585 113 HD13 LEU 15 HD13 LEU 15 21.416 14.511 13.945 114 HD21 LEU 15 HD21 LEU 15 19.332 11.767 13.421 115 HD22 LEU 15 HD22 LEU 15 18.428 13.272 13.256 116 HD23 LEU 15 HD23 LEU 15 19.703 13.137 14.467 117 H GLY 16 H GLY 16 18.756 17.235 10.430 118 HA2 GLY 16 HA2 GLY 16 21.167 18.428 9.763 119 HA3 GLY 16 HA3 GLY 16 19.590 19.146 9.467 120 H SER 17 H SER 17 18.601 19.890 11.767 121 HA SER 17 HA SER 17 20.013 22.184 12.477 122 HB2 SER 17 HB2 SER 17 18.405 22.425 14.300 123 HB3 SER 17 HB3 SER 17 17.582 21.877 12.840 124 HG SER 17 HG SER 17 17.811 20.659 15.256 125 H ASN 18 H ASN 18 20.122 18.948 13.789 126 HA ASN 18 HA ASN 18 21.517 19.611 16.182 127 HB2 ASN 18 HB2 ASN 18 20.250 17.370 15.262 128 HB3 ASN 18 HB3 ASN 18 21.942 16.910 15.091 129 HD21 ASN 18 HD21 ASN 18 19.371 16.890 17.126 130 HD22 ASN 18 HD22 ASN 18 20.195 16.729 18.636 131 H VAL 19 H VAL 19 22.568 18.213 13.080 132 HA VAL 19 HA VAL 19 25.296 18.053 13.665 133 HB VAL 19 HB VAL 19 24.123 18.602 10.938 134 HG11 VAL 19 HG11 VAL 19 26.757 17.693 11.955 135 HG12 VAL 19 HG12 VAL 19 26.157 16.960 10.466 136 HG13 VAL 19 HG13 VAL 19 26.366 18.709 10.568 137 HG21 VAL 19 HG21 VAL 19 23.053 16.660 11.083 138 HG22 VAL 19 HG22 VAL 19 24.615 15.857 11.244 139 HG23 VAL 19 HG23 VAL 19 23.729 16.356 12.684 140 H MET 20 H MET 20 23.311 20.768 12.882 141 HA MET 20 HA MET 20 25.559 22.465 12.178 142 HB2 MET 20 HB2 MET 20 23.463 22.798 10.995 143 HB3 MET 20 HB3 MET 20 22.617 23.071 12.513 144 HG2 MET 20 HG2 MET 20 24.127 25.052 12.866 145 HG3 MET 20 HG3 MET 20 24.670 24.828 11.205 146 HE1 MET 20 HE1 MET 20 23.952 25.692 9.472 147 HE2 MET 20 HE2 MET 20 22.314 25.305 8.946 148 HE3 MET 20 HE3 MET 20 22.738 26.967 9.356 149 H GLU 21 H GLU 21 23.374 21.931 14.882 150 HA GLU 21 HA GLU 21 24.255 24.180 16.399 151 HB2 GLU 21 HB2 GLU 21 22.090 23.293 16.881 152 HB3 GLU 21 HB3 GLU 21 22.740 21.680 17.141 153 HG2 GLU 21 HG2 GLU 21 23.234 22.099 19.271 154 HG3 GLU 21 HG3 GLU 21 23.914 23.681 18.898 155 H GLU 22 H GLU 22 25.370 20.921 15.978 156 HA GLU 22 HA GLU 22 27.047 20.940 18.327 157 HB2 GLU 22 HB2 GLU 22 27.849 18.772 17.515 158 HB3 GLU 22 HB3 GLU 22 26.092 18.836 17.529 159 HG2 GLU 22 HG2 GLU 22 26.491 17.842 15.508 160 HG3 GLU 22 HG3 GLU 22 26.370 19.537 15.039 161 H GLN 23 H GLN 23 27.384 21.557 14.896 162 HA GLN 23 HA GLN 23 30.271 21.748 15.055 163 HB2 GLN 23 HB2 GLN 23 28.449 21.239 13.005 164 HB3 GLN 23 HB3 GLN 23 29.092 22.834 12.636 165 HG2 GLN 23 HG2 GLN 23 31.395 21.788 12.980 166 HG3 GLN 23 HG3 GLN 23 30.562 20.237 12.888 167 HE21 GLN 23 HE21 GLN 23 29.013 20.116 10.949 168 HE22 GLN 23 HE22 GLN 23 29.662 20.661 9.444 169 H ASP 24 H ASP 24 27.539 23.816 15.342 170 HA ASP 24 HA ASP 24 28.928 26.256 14.721 171 HB2 ASP 24 HB2 ASP 24 26.488 26.031 14.402 172 HB3 ASP 24 HB3 ASP 24 26.289 25.839 16.142 173 H LEU 25 H LEU 25 28.350 24.326 17.552 174 HA LEU 25 HA LEU 25 29.121 26.401 19.404 175 HB2 LEU 25 HB2 LEU 25 27.862 23.854 19.547 176 HB3 LEU 25 HB3 LEU 25 29.275 23.833 20.601 177 HG LEU 25 HG LEU 25 28.423 25.696 21.865 178 HD11 LEU 25 HD11 LEU 25 27.227 27.195 20.718 179 HD12 LEU 25 HD12 LEU 25 25.847 26.160 21.082 180 HD13 LEU 25 HD13 LEU 25 26.684 26.001 19.538 181 HD21 LEU 25 HD21 LEU 25 26.060 23.889 21.501 182 HD22 LEU 25 HD22 LEU 25 26.690 24.613 22.981 183 HD23 LEU 25 HD23 LEU 25 27.565 23.293 22.203 184 H ARG 26 H ARG 26 30.663 23.883 17.609 185 HA ARG 26 HA ARG 26 33.094 24.042 19.220 186 HB2 ARG 26 HB2 ARG 26 33.866 22.138 18.036 187 HB3 ARG 26 HB3 ARG 26 32.165 21.844 18.374 188 HG2 ARG 26 HG2 ARG 26 32.044 21.293 16.215 189 HG3 ARG 26 HG3 ARG 26 32.037 23.035 15.931 190 HD2 ARG 26 HD2 ARG 26 33.704 22.229 14.506 191 HD3 ARG 26 HD3 ARG 26 34.589 22.852 15.898 192 HE ARG 26 HE ARG 26 34.272 20.258 16.529 193 HH11 ARG 26 HH12 ARG 26 35.418 21.853 13.655 194 HH12 ARG 26 HH11 ARG 26 36.488 20.566 13.210 195 HH21 ARG 26 HH22 ARG 26 35.678 18.556 15.954 196 HH22 ARG 26 HH21 ARG 26 36.635 18.691 14.517 197 H ASP 27 H ASP 27 31.767 25.155 16.223 198 HA ASP 27 HA ASP 27 34.197 25.752 14.891 199 HB2 ASP 27 HB2 ASP 27 31.332 26.466 14.543 200 HB3 ASP 27 HB3 ASP 27 32.518 27.512 13.767 201 H ILE 28 H ILE 28 32.323 27.397 17.315 202 HA ILE 28 HA ILE 28 33.224 30.011 17.017 203 HB ILE 28 HB ILE 28 32.594 28.558 19.589 204 HG12 ILE 28 HG12 ILE 28 30.707 30.479 18.336 205 HG13 ILE 28 HG13 ILE 28 30.890 28.918 17.543 206 HG21 ILE 28 HG21 ILE 28 33.457 30.410 20.516 207 HG22 ILE 28 HG22 ILE 28 33.392 31.316 19.005 208 HG23 ILE 28 HG23 ILE 28 31.947 31.165 20.005 209 HD11 ILE 28 HD11 ILE 28 30.432 27.884 19.812 210 HD12 ILE 28 HD12 ILE 28 29.921 29.495 20.318 211 HD13 ILE 28 HD13 ILE 28 29.079 28.676 19.003 212 H GLY 29 H GLY 29 34.865 27.203 18.225 213 HA2 GLY 29 HA2 GLY 29 37.056 28.842 19.287 214 HA3 GLY 29 HA3 GLY 29 36.845 27.117 19.542 215 H ILE 30 H ILE 30 36.228 27.705 16.354 216 HA ILE 30 HA ILE 30 39.035 27.204 15.601 217 HB ILE 30 HB ILE 30 36.644 26.135 14.108 218 HG12 ILE 30 HG12 ILE 30 38.379 24.712 16.139 219 HG13 ILE 30 HG13 ILE 30 36.695 25.168 16.370 220 HG21 ILE 30 HG21 ILE 30 39.416 26.304 13.534 221 HG22 ILE 30 HG22 ILE 30 39.013 24.606 13.781 222 HG23 ILE 30 HG23 ILE 30 38.139 25.553 12.577 223 HD11 ILE 30 HD11 ILE 30 36.699 22.877 15.848 224 HD12 ILE 30 HD12 ILE 30 36.166 23.704 14.384 225 HD13 ILE 30 HD13 ILE 30 37.820 23.104 14.506 226 H SER 31 H SER 31 36.462 29.300 15.350 227 HA SER 31 HA SER 31 37.425 30.366 12.777 228 HB2 SER 31 HB2 SER 31 34.769 29.852 13.742 229 HB3 SER 31 HB3 SER 31 34.956 31.580 13.447 230 HG SER 31 HG SER 31 34.391 30.765 11.510 231 H ASP 32 H ASP 32 37.719 30.815 15.991 232 HA ASP 32 HA ASP 32 37.230 33.468 16.551 233 HB2 ASP 32 HB2 ASP 32 38.822 31.355 17.676 234 HB3 ASP 32 HB3 ASP 32 39.719 32.869 17.746 235 HA PRO 33 HA PRO 33 39.946 35.931 14.144 236 HB2 PRO 33 HB2 PRO 33 40.570 37.921 15.882 237 HB3 PRO 33 HB3 PRO 33 38.978 37.766 15.130 238 HG2 PRO 33 HG2 PRO 33 39.871 36.932 17.863 239 HG3 PRO 33 HG3 PRO 33 38.370 37.741 17.375 240 HD2 PRO 33 HD2 PRO 33 38.495 35.084 17.882 241 HD3 PRO 33 HD3 PRO 33 37.390 35.775 16.676 242 H GLN 34 H GLN 34 41.151 35.437 17.463 243 HA GLN 34 HA GLN 34 43.830 35.992 17.018 244 HB2 GLN 34 HB2 GLN 34 42.504 34.083 18.939 245 HB3 GLN 34 HB3 GLN 34 44.234 34.399 18.958 246 HG2 GLN 34 HG2 GLN 34 43.863 36.715 19.460 247 HG3 GLN 34 HG3 GLN 34 42.121 36.517 19.274 248 HE21 GLN 34 HE21 GLN 34 42.929 37.612 21.543 249 HE22 GLN 34 HE22 GLN 34 42.807 36.506 22.864 250 H HIS 35 H HIS 35 41.963 33.231 16.094 251 HA HIS 35 HA HIS 35 43.905 31.271 15.821 252 HB2 HIS 35 HB2 HIS 35 41.245 31.455 15.218 253 HB3 HIS 35 HB3 HIS 35 41.963 31.378 13.612 254 HD1 HIS 35 HD1 HIS 35 40.238 29.065 14.532 255 HD2 HIS 35 HD2 HIS 35 44.346 29.220 15.131 256 HE1 HIS 35 HE1 HIS 35 40.966 26.675 14.819 257 H ARG 36 H ARG 36 43.302 34.098 13.884 258 HA ARG 36 HA ARG 36 44.665 33.357 11.544 259 HB2 ARG 36 HB2 ARG 36 43.398 35.673 12.554 260 HB3 ARG 36 HB3 ARG 36 45.026 36.153 12.093 261 HG2 ARG 36 HG2 ARG 36 43.319 34.556 10.226 262 HG3 ARG 36 HG3 ARG 36 43.137 36.307 10.353 263 HD2 ARG 36 HD2 ARG 36 44.800 36.488 8.886 264 HD3 ARG 36 HD3 ARG 36 45.878 35.903 10.153 265 HE ARG 36 HE ARG 36 44.931 33.618 9.099 266 HH11 ARG 36 HH12 ARG 36 46.319 36.469 7.663 267 HH12 ARG 36 HH11 ARG 36 47.000 35.619 6.316 268 HH21 ARG 36 HH22 ARG 36 45.823 32.486 7.330 269 HH22 ARG 36 HH21 ARG 36 46.716 33.353 6.127 270 H ARG 37 H ARG 37 45.824 35.307 14.300 271 HA ARG 37 HA ARG 37 48.499 35.438 13.419 272 HB2 ARG 37 HB2 ARG 37 49.016 36.242 15.653 273 HB3 ARG 37 HB3 ARG 37 47.532 36.987 15.074 274 HG2 ARG 37 HG2 ARG 37 46.272 36.033 16.672 275 HG3 ARG 37 HG3 ARG 37 47.177 34.519 16.631 276 HD2 ARG 37 HD2 ARG 37 49.022 35.655 17.845 277 HD3 ARG 37 HD3 ARG 37 48.003 37.087 17.977 278 HE ARG 37 HE ARG 37 46.795 34.689 19.013 279 HH11 ARG 37 HH12 ARG 37 48.844 37.413 19.720 280 HH12 ARG 37 HH11 ARG 37 48.547 37.360 21.426 281 HH21 ARG 37 HH22 ARG 37 46.396 34.608 21.257 282 HH22 ARG 37 HH21 ARG 37 47.155 35.763 22.300 283 H LYS 38 H LYS 38 46.702 32.945 14.932 284 HA LYS 38 HA LYS 38 49.033 31.571 15.981 285 HB2 LYS 38 HB2 LYS 38 46.320 31.555 16.604 286 HB3 LYS 38 HB3 LYS 38 46.594 29.992 15.847 287 HG2 LYS 38 HG2 LYS 38 46.944 29.605 18.114 288 HG3 LYS 38 HG3 LYS 38 48.571 29.763 17.448 289 HD2 LYS 38 HD2 LYS 38 48.690 31.081 19.346 290 HD3 LYS 38 HD3 LYS 38 48.309 32.267 18.095 291 HE2 LYS 38 HE2 LYS 38 46.804 32.838 19.742 292 HE3 LYS 38 HE3 LYS 38 45.839 31.743 18.752 293 HZ1 LYS 38 HZ1 LYS 38 45.514 31.116 20.988 294 HZ2 LYS 38 HZ2 LYS 38 47.170 31.149 21.332 295 HZ3 LYS 38 HZ3 LYS 38 46.540 29.945 20.326 296 H LEU 39 H LEU 39 47.051 31.563 13.138 297 HA LEU 39 HA LEU 39 48.173 29.030 12.214 298 HB2 LEU 39 HB2 LEU 39 45.701 30.073 11.932 299 HB3 LEU 39 HB3 LEU 39 46.443 30.616 10.429 300 HG LEU 39 HG LEU 39 47.097 28.134 10.123 301 HD11 LEU 39 HD11 LEU 39 46.604 27.223 12.236 302 HD12 LEU 39 HD12 LEU 39 45.336 26.638 11.160 303 HD13 LEU 39 HD13 LEU 39 45.005 27.966 12.273 304 HD21 LEU 39 HD21 LEU 39 44.152 28.571 9.939 305 HD22 LEU 39 HD22 LEU 39 45.258 27.843 8.774 306 HD23 LEU 39 HD23 LEU 39 45.240 29.593 8.999 307 H LEU 40 H LEU 40 48.677 32.396 11.923 308 HA LEU 40 HA LEU 40 49.964 32.309 9.348 309 HB2 LEU 40 HB2 LEU 40 49.308 34.345 11.362 310 HB3 LEU 40 HB3 LEU 40 50.795 34.643 10.463 311 HG LEU 40 HG LEU 40 48.108 34.177 9.176 312 HD11 LEU 40 HD11 LEU 40 48.673 36.343 10.671 313 HD12 LEU 40 HD12 LEU 40 47.645 36.380 9.239 314 HD13 LEU 40 HD13 LEU 40 49.340 36.851 9.120 315 HD21 LEU 40 HD21 LEU 40 49.108 34.626 7.161 316 HD22 LEU 40 HD22 LEU 40 50.410 33.772 7.989 317 HD23 LEU 40 HD23 LEU 40 50.431 35.534 7.893 318 H GLN 41 H GLN 41 50.979 32.408 12.730 319 HA GLN 41 HA GLN 41 53.774 32.544 12.102 320 HB2 GLN 41 HB2 GLN 41 52.151 32.254 14.586 321 HB3 GLN 41 HB3 GLN 41 53.845 31.786 14.642 322 HG2 GLN 41 HG2 GLN 41 52.751 34.487 13.895 323 HG3 GLN 41 HG3 GLN 41 53.593 34.061 15.384 324 HE21 GLN 41 HE21 GLN 41 54.023 35.755 12.754 325 HE22 GLN 41 HE22 GLN 41 55.701 35.494 12.437 326 H ALA 42 H ALA 42 51.438 30.036 12.447 327 HA ALA 42 HA ALA 42 53.428 27.955 12.842 328 HB1 ALA 42 HB1 ALA 42 50.498 27.551 12.301 329 HB2 ALA 42 HB2 ALA 42 51.626 26.453 13.095 330 HB3 ALA 42 HB3 ALA 42 51.128 27.940 13.902 331 H ALA 43 H ALA 43 51.353 29.212 10.293 332 HA ALA 43 HA ALA 43 51.959 27.135 8.420 333 HB1 ALA 43 HB1 ALA 43 50.755 28.455 6.818 334 HB2 ALA 43 HB2 ALA 43 49.883 28.499 8.352 335 HB3 ALA 43 HB3 ALA 43 50.857 29.882 7.850 336 H ARG 44 H ARG 44 53.302 30.278 9.196 337 HA ARG 44 HA ARG 44 54.896 30.579 6.878 338 HB2 ARG 44 HB2 ARG 44 55.941 32.380 8.000 339 HB3 ARG 44 HB3 ARG 44 54.275 32.373 8.565 340 HG2 ARG 44 HG2 ARG 44 55.258 32.586 10.576 341 HG3 ARG 44 HG3 ARG 44 55.398 30.831 10.452 342 HD2 ARG 44 HD2 ARG 44 57.551 31.424 11.012 343 HD3 ARG 44 HD3 ARG 44 57.646 31.377 9.252 344 HE ARG 44 HE ARG 44 56.987 33.973 10.270 345 HH11 ARG 44 HH12 ARG 44 59.594 31.771 9.580 346 HH12 ARG 44 HH11 ARG 44 60.778 33.023 9.400 347 HH21 ARG 44 HH22 ARG 44 58.537 35.631 10.036 348 HH22 ARG 44 HH21 ARG 44 60.176 35.218 9.661 349 HN1 NH2 45 HN1 NH2 45 55.266 28.752 9.819 350 HN2 NH2 45 HN2 NH2 45 56.858 28.146 9.504 Start of MODEL 6 1 H1 ACE 1 H1 ACE 1 7.698 2.316 1.685 2 H2 ACE 1 H2 ACE 1 9.247 2.158 0.822 3 H3 ACE 1 H3 ACE 1 9.158 3.108 2.325 4 H SER 2 H SER 2 6.575 3.222 0.066 5 HA SER 2 HA SER 2 7.539 5.781 -1.008 6 HB2 SER 2 HB2 SER 2 6.022 3.561 -2.126 7 HB3 SER 2 HB3 SER 2 5.222 5.110 -2.396 8 HG SER 2 HG SER 2 7.496 5.766 -3.058 9 H LYS 3 H LYS 3 5.041 4.302 0.894 10 HA LYS 3 HA LYS 3 3.329 6.631 0.866 11 HB2 LYS 3 HB2 LYS 3 3.148 3.876 1.768 12 HB3 LYS 3 HB3 LYS 3 2.526 4.994 2.975 13 HG2 LYS 3 HG2 LYS 3 0.683 4.395 1.656 14 HG3 LYS 3 HG3 LYS 3 1.140 6.013 1.117 15 HD2 LYS 3 HD2 LYS 3 1.308 5.239 -0.960 16 HD3 LYS 3 HD3 LYS 3 2.622 4.183 -0.437 17 HE2 LYS 3 HE2 LYS 3 -0.141 3.290 0.148 18 HE3 LYS 3 HE3 LYS 3 0.366 3.265 -1.540 19 HZ1 LYS 3 HZ1 LYS 3 0.790 1.246 0.091 20 HZ2 LYS 3 HZ2 LYS 3 2.202 2.118 0.416 21 HZ3 LYS 3 HZ3 LYS 3 1.858 1.624 -1.165 22 H LEU 4 H LEU 4 5.825 5.270 2.884 23 HA LEU 4 HA LEU 4 5.311 7.227 4.992 24 HB2 LEU 4 HB2 LEU 4 7.095 4.824 4.782 25 HB3 LEU 4 HB3 LEU 4 7.271 5.995 6.087 26 HG LEU 4 HG LEU 4 4.538 5.019 5.793 27 HD11 LEU 4 HD11 LEU 4 5.009 2.792 6.730 28 HD12 LEU 4 HD12 LEU 4 6.730 3.060 6.460 29 HD13 LEU 4 HD13 LEU 4 5.625 2.978 5.088 30 HD21 LEU 4 HD21 LEU 4 6.537 5.544 7.928 31 HD22 LEU 4 HD22 LEU 4 5.199 4.453 8.290 32 HD23 LEU 4 HD23 LEU 4 4.874 6.107 7.770 33 H LEU 5 H LEU 5 6.189 8.213 2.477 34 HA LEU 5 HA LEU 5 8.935 8.660 2.279 35 HB2 LEU 5 HB2 LEU 5 8.395 10.496 0.826 36 HB3 LEU 5 HB3 LEU 5 7.301 9.151 0.507 37 HG LEU 5 HG LEU 5 5.813 10.583 2.248 38 HD11 LEU 5 HD11 LEU 5 6.049 12.882 1.983 39 HD12 LEU 5 HD12 LEU 5 7.098 12.711 0.576 40 HD13 LEU 5 HD13 LEU 5 7.708 12.318 2.183 41 HD21 LEU 5 HD21 LEU 5 4.476 11.141 0.416 42 HD22 LEU 5 HD22 LEU 5 5.348 9.701 -0.112 43 HD23 LEU 5 HD23 LEU 5 5.861 11.296 -0.666 44 H LEU 6 H LEU 6 6.532 10.133 4.317 45 HA LEU 6 HA LEU 6 8.074 12.423 5.041 46 HB2 LEU 6 HB2 LEU 6 5.800 11.122 6.532 47 HB3 LEU 6 HB3 LEU 6 6.417 12.755 6.779 48 HG LEU 6 HG LEU 6 5.692 12.621 4.075 49 HD11 LEU 6 HD11 LEU 6 3.461 11.827 4.032 50 HD12 LEU 6 HD12 LEU 6 3.442 11.576 5.777 51 HD13 LEU 6 HD13 LEU 6 4.439 10.546 4.750 52 HD21 LEU 6 HD21 LEU 6 3.795 14.114 4.948 53 HD22 LEU 6 HD22 LEU 6 5.457 14.635 5.228 54 HD23 LEU 6 HD23 LEU 6 4.534 13.889 6.534 55 H ASN 7 H ASN 7 7.647 9.188 6.362 56 HA ASN 7 HA ASN 7 8.991 9.623 8.809 57 HB2 ASN 7 HB2 ASN 7 7.561 7.688 8.519 58 HB3 ASN 7 HB3 ASN 7 8.574 7.090 7.209 59 HD21 ASN 7 HD21 ASN 7 10.590 6.201 7.684 60 HD22 ASN 7 HD22 ASN 7 11.000 5.674 9.278 61 H GLY 8 H GLY 8 10.100 9.016 5.570 62 HA2 GLY 8 HA2 GLY 8 12.783 8.303 6.389 63 HA3 GLY 8 HA3 GLY 8 12.218 8.533 4.740 64 H PHE 9 H PHE 9 11.210 11.115 4.902 65 HA PHE 9 HA PHE 9 13.636 12.621 4.737 66 HB2 PHE 9 HB2 PHE 9 11.275 12.839 3.477 67 HB3 PHE 9 HB3 PHE 9 11.022 14.031 4.748 68 HD1 PHE 9 HD2 PHE 9 13.449 13.054 2.105 69 HD2 PHE 9 HD1 PHE 9 11.820 16.186 4.484 70 HE1 PHE 9 HE2 PHE 9 14.731 14.704 0.805 71 HE2 PHE 9 HE1 PHE 9 13.099 17.840 3.187 72 HZ PHE 9 HZ PHE 9 14.557 17.100 1.346 73 H ASP 10 H ASP 10 11.169 12.159 7.130 74 HA ASP 10 HA ASP 10 11.376 14.439 8.672 75 HB2 ASP 10 HB2 ASP 10 9.717 12.851 9.260 76 HB3 ASP 10 HB3 ASP 10 10.906 11.564 9.443 77 H ASP 11 H ASP 11 13.304 11.460 8.986 78 HA ASP 11 HA ASP 11 14.962 12.314 11.057 79 HB2 ASP 11 HB2 ASP 11 14.760 10.051 9.418 80 HB3 ASP 11 HB3 ASP 11 16.399 10.649 9.174 81 H VAL 12 H VAL 12 15.004 13.075 7.671 82 HA VAL 12 HA VAL 12 17.690 14.116 7.668 83 HB VAL 12 HB VAL 12 15.502 14.514 5.623 84 HG11 VAL 12 HG11 VAL 12 17.007 16.088 4.978 85 HG12 VAL 12 HG12 VAL 12 18.361 15.277 5.768 86 HG13 VAL 12 HG13 VAL 12 17.760 14.686 4.218 87 HG21 VAL 12 HG21 VAL 12 17.060 12.193 6.301 88 HG22 VAL 12 HG22 VAL 12 15.764 12.364 5.117 89 HG23 VAL 12 HG23 VAL 12 17.429 12.726 4.661 90 H HIS 13 H HIS 13 14.415 15.462 7.747 91 HA HIS 13 HA HIS 13 15.035 18.162 7.529 92 HB2 HIS 13 HB2 HIS 13 12.753 16.594 8.236 93 HB3 HIS 13 HB3 HIS 13 12.909 17.905 9.400 94 HD1 HIS 13 HD1 HIS 13 11.609 19.880 8.720 95 HD2 HIS 13 HD2 HIS 13 13.082 17.811 5.432 96 HE1 HIS 13 HE1 HIS 13 10.797 21.150 6.707 97 H PHE 14 H PHE 14 15.483 15.980 10.180 98 HA PHE 14 HA PHE 14 15.936 18.127 12.089 99 HB2 PHE 14 HB2 PHE 14 14.774 16.018 12.756 100 HB3 PHE 14 HB3 PHE 14 16.277 15.147 12.469 101 HD1 PHE 14 HD2 PHE 14 15.057 18.125 14.359 102 HD2 PHE 14 HD1 PHE 14 17.618 14.726 14.278 103 HE1 PHE 14 HE2 PHE 14 15.773 18.614 16.661 104 HE2 PHE 14 HE1 PHE 14 18.338 15.209 16.580 105 HZ PHE 14 HZ PHE 14 17.416 17.156 17.775 106 H LEU 15 H LEU 15 17.742 15.824 10.173 107 HA LEU 15 HA LEU 15 20.238 16.115 11.460 108 HB2 LEU 15 HB2 LEU 15 19.184 14.776 9.167 109 HB3 LEU 15 HB3 LEU 15 20.670 15.609 8.715 110 HG LEU 15 HG LEU 15 21.037 13.259 9.362 111 HD11 LEU 15 HD11 LEU 15 23.059 13.996 9.883 112 HD12 LEU 15 HD12 LEU 15 22.512 14.284 11.534 113 HD13 LEU 15 HD13 LEU 15 22.401 15.570 10.332 114 HD21 LEU 15 HD21 LEU 15 20.869 12.683 11.774 115 HD22 LEU 15 HD22 LEU 15 19.308 12.955 10.998 116 HD23 LEU 15 HD23 LEU 15 20.007 14.200 12.035 117 H GLY 16 H GLY 16 18.841 17.718 8.609 118 HA2 GLY 16 HA2 GLY 16 20.995 19.289 7.865 119 HA3 GLY 16 HA3 GLY 16 19.313 19.752 7.651 120 H SER 17 H SER 17 18.452 20.084 10.221 121 HA SER 17 HA SER 17 19.515 22.639 10.853 122 HB2 SER 17 HB2 SER 17 17.676 20.893 12.508 123 HB3 SER 17 HB3 SER 17 17.933 22.625 12.718 124 HG SER 17 HG SER 17 17.163 22.799 10.476 125 H ASN 18 H ASN 18 20.527 19.520 11.629 126 HA ASN 18 HA ASN 18 21.765 20.279 14.156 127 HB2 ASN 18 HB2 ASN 18 20.745 17.891 13.207 128 HB3 ASN 18 HB3 ASN 18 22.485 17.660 13.071 129 HD21 ASN 18 HD21 ASN 18 19.859 17.447 15.087 130 HD22 ASN 18 HD22 ASN 18 20.685 17.347 16.601 131 H VAL 19 H VAL 19 22.745 19.136 10.936 132 HA VAL 19 HA VAL 19 25.498 19.154 11.295 133 HB VAL 19 HB VAL 19 24.074 19.932 8.748 134 HG11 VAL 19 HG11 VAL 19 26.776 18.686 9.246 135 HG12 VAL 19 HG12 VAL 19 26.055 18.968 7.660 136 HG13 VAL 19 HG13 VAL 19 26.470 20.333 8.697 137 HG21 VAL 19 HG21 VAL 19 23.137 17.910 8.821 138 HG22 VAL 19 HG22 VAL 19 24.756 17.254 8.577 139 HG23 VAL 19 HG23 VAL 19 24.112 17.425 10.209 140 H MET 20 H MET 20 23.284 21.801 10.799 141 HA MET 20 HA MET 20 25.331 23.727 10.188 142 HB2 MET 20 HB2 MET 20 23.609 25.304 10.020 143 HB3 MET 20 HB3 MET 20 22.857 23.806 9.489 144 HG2 MET 20 HG2 MET 20 21.971 23.539 11.818 145 HG3 MET 20 HG3 MET 20 22.553 25.169 12.148 146 HE1 MET 20 HE1 MET 20 20.503 27.536 10.994 147 HE2 MET 20 HE2 MET 20 22.173 27.026 10.749 148 HE3 MET 20 HE3 MET 20 21.070 27.125 9.376 149 H GLU 21 H GLU 21 23.597 22.651 13.040 150 HA GLU 21 HA GLU 21 24.439 24.775 14.737 151 HB2 GLU 21 HB2 GLU 21 22.495 23.551 15.377 152 HB3 GLU 21 HB3 GLU 21 23.353 22.018 15.295 153 HG2 GLU 21 HG2 GLU 21 23.990 22.179 17.407 154 HG3 GLU 21 HG3 GLU 21 24.643 23.796 17.149 155 H GLU 22 H GLU 22 25.753 21.634 13.888 156 HA GLU 22 HA GLU 22 27.799 21.688 15.902 157 HB2 GLU 22 HB2 GLU 22 28.686 19.707 14.730 158 HB3 GLU 22 HB3 GLU 22 26.972 19.555 15.091 159 HG2 GLU 22 HG2 GLU 22 26.446 20.184 12.776 160 HG3 GLU 22 HG3 GLU 22 28.171 20.272 12.425 161 H GLN 23 H GLN 23 27.464 22.791 12.629 162 HA GLN 23 HA GLN 23 30.299 23.132 12.207 163 HB2 GLN 23 HB2 GLN 23 27.950 23.135 10.586 164 HB3 GLN 23 HB3 GLN 23 28.788 24.663 10.345 165 HG2 GLN 23 HG2 GLN 23 30.830 23.475 9.777 166 HG3 GLN 23 HG3 GLN 23 30.022 21.933 10.059 167 HE21 GLN 23 HE21 GLN 23 29.051 20.988 8.402 168 HE22 GLN 23 HE22 GLN 23 28.701 21.731 6.882 169 H ASP 24 H ASP 24 27.604 25.046 13.306 170 HA ASP 24 HA ASP 24 28.949 27.571 13.051 171 HB2 ASP 24 HB2 ASP 24 26.406 27.132 13.082 172 HB3 ASP 24 HB3 ASP 24 26.580 27.053 14.833 173 H LEU 25 H LEU 25 28.750 25.072 15.436 174 HA LEU 25 HA LEU 25 29.691 26.726 17.607 175 HB2 LEU 25 HB2 LEU 25 28.641 24.056 17.273 176 HB3 LEU 25 HB3 LEU 25 30.080 24.050 18.291 177 HG LEU 25 HG LEU 25 28.130 24.190 19.683 178 HD11 LEU 25 HD11 LEU 25 30.178 25.547 20.231 179 HD12 LEU 25 HD12 LEU 25 28.680 26.088 20.987 180 HD13 LEU 25 HD13 LEU 25 29.323 26.950 19.589 181 HD21 LEU 25 HD21 LEU 25 26.396 25.714 19.445 182 HD22 LEU 25 HD22 LEU 25 26.760 25.267 17.777 183 HD23 LEU 25 HD23 LEU 25 27.351 26.796 18.431 184 H ARG 26 H ARG 26 31.062 24.726 15.136 185 HA ARG 26 HA ARG 26 33.659 24.608 16.445 186 HB2 ARG 26 HB2 ARG 26 34.323 23.130 14.722 187 HB3 ARG 26 HB3 ARG 26 32.665 22.691 15.109 188 HG2 ARG 26 HG2 ARG 26 31.869 23.909 13.160 189 HG3 ARG 26 HG3 ARG 26 33.522 24.399 12.782 190 HD2 ARG 26 HD2 ARG 26 33.139 22.569 11.384 191 HD3 ARG 26 HD3 ARG 26 34.050 21.893 12.734 192 HE ARG 26 HE ARG 26 31.244 21.693 13.161 193 HH11 ARG 26 HH12 ARG 26 33.908 20.260 11.437 194 HH12 ARG 26 HH11 ARG 26 33.171 18.695 11.337 195 HH21 ARG 26 HH22 ARG 26 30.264 19.637 13.035 196 HH22 ARG 26 HH21 ARG 26 31.098 18.342 12.246 197 H ASP 27 H ASP 27 32.032 26.304 13.856 198 HA ASP 27 HA ASP 27 34.169 27.365 12.457 199 HB2 ASP 27 HB2 ASP 27 31.968 27.717 11.617 200 HB3 ASP 27 HB3 ASP 27 31.460 28.529 13.095 201 H ILE 28 H ILE 28 32.565 28.693 15.340 202 HA ILE 28 HA ILE 28 34.050 31.022 15.610 203 HB ILE 28 HB ILE 28 33.015 29.313 17.875 204 HG12 ILE 28 HG12 ILE 28 31.232 29.761 16.280 205 HG13 ILE 28 HG13 ILE 28 30.989 30.730 17.729 206 HG21 ILE 28 HG21 ILE 28 34.008 32.118 17.671 207 HG22 ILE 28 HG22 ILE 28 32.755 31.724 18.846 208 HG23 ILE 28 HG23 ILE 28 34.314 30.903 18.912 209 HD11 ILE 28 HD11 ILE 28 31.932 31.621 15.028 210 HD12 ILE 28 HD12 ILE 28 30.517 32.153 15.935 211 HD13 ILE 28 HD13 ILE 28 32.132 32.613 16.471 212 H GLY 29 H GLY 29 34.942 27.732 16.254 213 HA2 GLY 29 HA2 GLY 29 37.244 28.446 17.865 214 HA3 GLY 29 HA3 GLY 29 36.792 26.830 17.345 215 H ILE 30 H ILE 30 36.555 27.791 14.521 216 HA ILE 30 HA ILE 30 39.388 27.523 13.876 217 HB ILE 30 HB ILE 30 37.050 27.489 11.969 218 HG12 ILE 30 HG12 ILE 30 38.454 25.141 13.262 219 HG13 ILE 30 HG13 ILE 30 36.854 25.725 13.707 220 HG21 ILE 30 HG21 ILE 30 39.070 27.891 10.800 221 HG22 ILE 30 HG22 ILE 30 39.936 26.674 11.736 222 HG23 ILE 30 HG23 ILE 30 38.699 26.182 10.579 223 HD11 ILE 30 HD11 ILE 30 36.202 24.105 12.293 224 HD12 ILE 30 HD12 ILE 30 36.486 25.354 11.080 225 HD13 ILE 30 HD13 ILE 30 37.717 24.130 11.391 226 H SER 31 H SER 31 37.061 29.949 14.144 227 HA SER 31 HA SER 31 38.538 31.713 12.307 228 HB2 SER 31 HB2 SER 31 35.729 31.325 12.767 229 HB3 SER 31 HB3 SER 31 36.161 32.988 13.168 230 HG SER 31 HG SER 31 36.480 31.620 10.717 231 H ASP 32 H ASP 32 38.429 30.911 15.461 232 HA ASP 32 HA ASP 32 38.179 33.216 16.946 233 HB2 ASP 32 HB2 ASP 32 39.540 30.644 17.267 234 HB3 ASP 32 HB3 ASP 32 40.308 31.953 18.160 235 HA PRO 33 HA PRO 33 41.460 35.927 15.883 236 HB2 PRO 33 HB2 PRO 33 42.044 37.042 18.288 237 HB3 PRO 33 HB3 PRO 33 40.568 37.414 17.390 238 HG2 PRO 33 HG2 PRO 33 40.965 35.531 19.683 239 HG3 PRO 33 HG3 PRO 33 39.647 36.682 19.396 240 HD2 PRO 33 HD2 PRO 33 39.406 34.034 18.883 241 HD3 PRO 33 HD3 PRO 33 38.567 35.273 17.927 242 H GLN 34 H GLN 34 42.125 34.124 18.888 243 HA GLN 34 HA GLN 34 44.878 34.374 18.937 244 HB2 GLN 34 HB2 GLN 34 43.099 32.114 19.844 245 HB3 GLN 34 HB3 GLN 34 44.830 32.145 20.154 246 HG2 GLN 34 HG2 GLN 34 43.840 34.635 20.985 247 HG3 GLN 34 HG3 GLN 34 42.708 33.422 21.581 248 HE21 GLN 34 HE21 GLN 34 43.240 33.529 23.705 249 HE22 GLN 34 HE22 GLN 34 44.782 33.071 24.336 250 H HIS 35 H HIS 35 42.881 32.403 16.893 251 HA HIS 35 HA HIS 35 44.616 30.423 16.069 252 HB2 HIS 35 HB2 HIS 35 42.123 31.263 15.303 253 HB3 HIS 35 HB3 HIS 35 43.082 31.633 13.873 254 HD1 HIS 35 HD1 HIS 35 40.951 29.464 13.713 255 HD2 HIS 35 HD2 HIS 35 44.920 28.716 14.689 256 HE1 HIS 35 HE1 HIS 35 41.335 27.042 13.156 257 H ARG 36 H ARG 36 44.387 33.765 14.925 258 HA ARG 36 HA ARG 36 46.277 33.548 12.849 259 HB2 ARG 36 HB2 ARG 36 44.749 35.629 14.111 260 HB3 ARG 36 HB3 ARG 36 46.408 36.170 13.892 261 HG2 ARG 36 HG2 ARG 36 46.138 35.320 11.477 262 HG3 ARG 36 HG3 ARG 36 44.408 35.348 11.826 263 HD2 ARG 36 HD2 ARG 36 45.267 37.788 12.757 264 HD3 ARG 36 HD3 ARG 36 46.258 37.545 11.319 265 HE ARG 36 HE ARG 36 43.583 36.945 10.707 266 HH11 ARG 36 HH12 ARG 36 45.618 39.664 11.474 267 HH12 ARG 36 HH11 ARG 36 44.660 40.799 10.582 268 HH21 ARG 36 HH22 ARG 36 42.314 38.430 9.529 269 HH22 ARG 36 HH21 ARG 36 42.780 40.096 9.476 270 H ARG 37 H ARG 37 46.597 34.187 16.289 271 HA ARG 37 HA ARG 37 49.363 34.905 16.167 272 HB2 ARG 37 HB2 ARG 37 47.355 34.428 18.295 273 HB3 ARG 37 HB3 ARG 37 49.039 34.197 18.743 274 HG2 ARG 37 HG2 ARG 37 49.580 36.444 18.184 275 HG3 ARG 37 HG3 ARG 37 48.002 36.698 17.436 276 HD2 ARG 37 HD2 ARG 37 46.994 36.225 19.704 277 HD3 ARG 37 HD3 ARG 37 48.631 36.313 20.354 278 HE ARG 37 HE ARG 37 48.566 38.594 20.130 279 HH11 ARG 37 HH12 ARG 37 45.938 37.182 18.335 280 HH12 ARG 37 HH11 ARG 37 45.176 38.702 18.003 281 HH21 ARG 37 HH22 ARG 37 47.573 40.601 19.699 282 HH22 ARG 37 HH21 ARG 37 46.108 40.646 18.778 283 H LYS 38 H LYS 38 47.567 31.935 16.613 284 HA LYS 38 HA LYS 38 49.899 30.407 17.369 285 HB2 LYS 38 HB2 LYS 38 47.076 30.042 17.460 286 HB3 LYS 38 HB3 LYS 38 47.758 28.722 16.520 287 HG2 LYS 38 HG2 LYS 38 49.302 28.230 18.370 288 HG3 LYS 38 HG3 LYS 38 48.549 29.517 19.315 289 HD2 LYS 38 HD2 LYS 38 46.765 27.445 18.163 290 HD3 LYS 38 HD3 LYS 38 47.798 26.968 19.512 291 HE2 LYS 38 HE2 LYS 38 46.042 29.411 19.578 292 HE3 LYS 38 HE3 LYS 38 45.490 27.823 20.108 293 HZ1 LYS 38 HZ1 LYS 38 47.952 28.336 21.326 294 HZ2 LYS 38 HZ2 LYS 38 46.434 28.194 22.059 295 HZ3 LYS 38 HZ3 LYS 38 46.985 29.708 21.542 296 H LEU 39 H LEU 39 48.293 31.312 14.461 297 HA LEU 39 HA LEU 39 49.523 29.194 12.893 298 HB2 LEU 39 HB2 LEU 39 47.178 30.239 12.552 299 HB3 LEU 39 HB3 LEU 39 48.055 31.543 11.755 300 HG LEU 39 HG LEU 39 49.070 29.514 10.378 301 HD11 LEU 39 HD11 LEU 39 46.301 28.478 10.782 302 HD12 LEU 39 HD12 LEU 39 47.591 27.981 11.877 303 HD13 LEU 39 HD13 LEU 39 47.728 27.658 10.148 304 HD21 LEU 39 HD21 LEU 39 47.938 31.384 9.376 305 HD22 LEU 39 HD22 LEU 39 46.373 30.789 9.933 306 HD23 LEU 39 HD23 LEU 39 47.274 29.893 8.709 307 H LEU 40 H LEU 40 50.125 32.457 13.806 308 HA LEU 40 HA LEU 40 51.837 33.145 11.627 309 HB2 LEU 40 HB2 LEU 40 50.713 34.833 12.989 310 HB3 LEU 40 HB3 LEU 40 51.636 34.315 14.398 311 HG LEU 40 HG LEU 40 53.694 35.104 13.359 312 HD11 LEU 40 HD11 LEU 40 53.678 35.041 11.114 313 HD12 LEU 40 HD12 LEU 40 53.047 36.681 11.260 314 HD13 LEU 40 HD13 LEU 40 51.941 35.330 11.012 315 HD21 LEU 40 HD21 LEU 40 52.786 36.760 14.690 316 HD22 LEU 40 HD22 LEU 40 51.379 36.974 13.649 317 HD23 LEU 40 HD23 LEU 40 52.954 37.585 13.141 318 H GLN 41 H GLN 41 52.411 32.076 14.968 319 HA GLN 41 HA GLN 41 55.242 32.046 14.728 320 HB2 GLN 41 HB2 GLN 41 55.258 30.984 16.870 321 HB3 GLN 41 HB3 GLN 41 53.971 32.182 16.885 322 HG2 GLN 41 HG2 GLN 41 52.757 30.522 17.757 323 HG3 GLN 41 HG3 GLN 41 52.605 29.996 16.081 324 HE21 GLN 41 HE21 GLN 41 52.524 27.843 16.331 325 HE22 GLN 41 HE22 GLN 41 53.774 26.889 17.046 326 H ALA 42 H ALA 42 52.740 29.822 13.875 327 HA ALA 42 HA ALA 42 54.541 27.556 13.663 328 HB1 ALA 42 HB1 ALA 42 51.633 27.979 13.515 329 HB2 ALA 42 HB2 ALA 42 52.272 26.709 12.470 330 HB3 ALA 42 HB3 ALA 42 52.556 26.645 14.209 331 H ALA 43 H ALA 43 53.141 30.002 11.620 332 HA ALA 43 HA ALA 43 53.890 28.649 9.167 333 HB1 ALA 43 HB1 ALA 43 52.697 31.370 9.678 334 HB2 ALA 43 HB2 ALA 43 53.032 30.712 8.076 335 HB3 ALA 43 HB3 ALA 43 51.856 29.920 9.126 336 H ARG 44 H ARG 44 55.227 30.956 11.358 337 HA ARG 44 HA ARG 44 57.034 32.227 9.578 338 HB2 ARG 44 HB2 ARG 44 56.788 32.000 12.549 339 HB3 ARG 44 HB3 ARG 44 58.283 32.623 11.864 340 HG2 ARG 44 HG2 ARG 44 56.204 33.979 10.558 341 HG3 ARG 44 HG3 ARG 44 55.783 33.951 12.271 342 HD2 ARG 44 HD2 ARG 44 58.461 34.816 11.190 343 HD3 ARG 44 HD3 ARG 44 57.145 35.923 11.581 344 HE ARG 44 HE ARG 44 57.555 34.427 13.852 345 HH11 ARG 44 HH12 ARG 44 59.453 36.558 11.858 346 HH12 ARG 44 HH11 ARG 44 60.459 37.095 13.163 347 HH21 ARG 44 HH22 ARG 44 58.872 35.126 15.578 348 HH22 ARG 44 HH21 ARG 44 60.128 36.280 15.278 349 HN1 NH2 45 HN1 NH2 45 57.179 29.307 11.552 350 HN2 NH2 45 HN2 NH2 45 58.728 28.765 10.998 Start of MODEL 7 1 H1 ACE 1 H1 ACE 1 3.761 3.676 -0.978 2 H2 ACE 1 H2 ACE 1 2.476 4.776 -0.424 3 H3 ACE 1 H3 ACE 1 2.931 4.733 -2.145 4 H SER 2 H SER 2 2.933 6.806 0.066 5 HA SER 2 HA SER 2 5.705 7.717 -0.353 6 HB2 SER 2 HB2 SER 2 3.345 8.959 -1.149 7 HB3 SER 2 HB3 SER 2 3.815 9.831 0.311 8 HG SER 2 HG SER 2 4.742 10.310 -2.000 9 H LYS 3 H LYS 3 3.120 7.244 1.921 10 HA LYS 3 HA LYS 3 3.969 8.754 4.083 11 HB2 LYS 3 HB2 LYS 3 2.089 6.683 3.615 12 HB3 LYS 3 HB3 LYS 3 3.022 6.222 5.032 13 HG2 LYS 3 HG2 LYS 3 2.542 8.577 5.896 14 HG3 LYS 3 HG3 LYS 3 1.323 8.657 4.622 15 HD2 LYS 3 HD2 LYS 3 1.413 6.379 6.577 16 HD3 LYS 3 HD3 LYS 3 0.575 7.886 6.951 17 HE2 LYS 3 HE2 LYS 3 -1.175 6.827 5.999 18 HE3 LYS 3 HE3 LYS 3 -0.428 7.389 4.505 19 HZ1 LYS 3 HZ1 LYS 3 0.380 4.798 5.630 20 HZ2 LYS 3 HZ2 LYS 3 0.376 5.313 4.019 21 HZ3 LYS 3 HZ3 LYS 3 -1.079 4.907 4.780 22 H LEU 4 H LEU 4 5.023 5.543 3.046 23 HA LEU 4 HA LEU 4 6.628 4.913 5.250 24 HB2 LEU 4 HB2 LEU 4 7.815 3.395 3.691 25 HB3 LEU 4 HB3 LEU 4 6.061 3.227 3.661 26 HG LEU 4 HG LEU 4 7.018 5.071 1.631 27 HD11 LEU 4 HD11 LEU 4 8.264 3.635 0.276 28 HD12 LEU 4 HD12 LEU 4 7.842 2.215 1.233 29 HD13 LEU 4 HD13 LEU 4 8.954 3.419 1.885 30 HD21 LEU 4 HD21 LEU 4 5.233 2.688 1.842 31 HD22 LEU 4 HD22 LEU 4 5.746 3.255 0.252 32 HD23 LEU 4 HD23 LEU 4 4.858 4.334 1.329 33 H LEU 5 H LEU 5 7.221 6.937 2.462 34 HA LEU 5 HA LEU 5 10.048 7.181 2.959 35 HB2 LEU 5 HB2 LEU 5 8.529 7.536 0.764 36 HB3 LEU 5 HB3 LEU 5 8.670 9.206 1.310 37 HG LEU 5 HG LEU 5 11.272 8.158 1.375 38 HD11 LEU 5 HD11 LEU 5 11.070 6.394 -0.036 39 HD12 LEU 5 HD12 LEU 5 11.251 7.669 -1.240 40 HD13 LEU 5 HD13 LEU 5 9.647 7.054 -0.842 41 HD21 LEU 5 HD21 LEU 5 11.730 9.866 -0.195 42 HD22 LEU 5 HD22 LEU 5 10.415 10.468 0.815 43 HD23 LEU 5 HD23 LEU 5 10.075 9.854 -0.804 44 H LEU 6 H LEU 6 7.147 9.073 3.603 45 HA LEU 6 HA LEU 6 8.332 11.449 4.451 46 HB2 LEU 6 HB2 LEU 6 5.737 10.129 4.763 47 HB3 LEU 6 HB3 LEU 6 6.144 11.237 6.072 48 HG LEU 6 HG LEU 6 6.508 13.011 4.339 49 HD11 LEU 6 HD11 LEU 6 6.255 10.808 2.590 50 HD12 LEU 6 HD12 LEU 6 6.519 12.503 2.183 51 HD13 LEU 6 HD13 LEU 6 4.877 11.871 2.302 52 HD21 LEU 6 HD21 LEU 6 4.192 13.527 4.121 53 HD22 LEU 6 HD22 LEU 6 4.412 12.723 5.676 54 HD23 LEU 6 HD23 LEU 6 3.735 11.834 4.310 55 H ASN 7 H ASN 7 7.639 8.476 6.233 56 HA ASN 7 HA ASN 7 8.392 9.454 8.780 57 HB2 ASN 7 HB2 ASN 7 7.967 6.743 7.590 58 HB3 ASN 7 HB3 ASN 7 8.762 6.868 9.156 59 HD21 ASN 7 HD21 ASN 7 7.203 6.075 10.443 60 HD22 ASN 7 HD22 ASN 7 5.636 6.779 10.628 61 H GLY 8 H GLY 8 10.187 8.226 6.071 62 HA2 GLY 8 HA2 GLY 8 12.603 7.777 7.608 63 HA3 GLY 8 HA3 GLY 8 12.426 7.617 5.867 64 H PHE 9 H PHE 9 11.329 10.234 5.427 65 HA PHE 9 HA PHE 9 13.749 11.695 5.178 66 HB2 PHE 9 HB2 PHE 9 11.373 11.779 3.889 67 HB3 PHE 9 HB3 PHE 9 11.195 13.173 4.950 68 HD1 PHE 9 HD1 PHE 9 13.268 14.795 4.986 69 HD2 PHE 9 HD2 PHE 9 12.366 12.073 1.841 70 HE1 PHE 9 HE1 PHE 9 14.613 16.149 3.432 71 HE2 PHE 9 HE2 PHE 9 13.710 13.422 0.283 72 HZ PHE 9 HZ PHE 9 14.836 15.463 1.078 73 H ASP 10 H ASP 10 11.251 11.581 7.574 74 HA ASP 10 HA ASP 10 11.458 14.048 8.798 75 HB2 ASP 10 HB2 ASP 10 10.080 11.795 9.345 76 HB3 ASP 10 HB3 ASP 10 11.301 11.708 10.612 77 H ASP 11 H ASP 11 13.435 11.152 9.375 78 HA ASP 11 HA ASP 11 15.056 12.252 11.389 79 HB2 ASP 11 HB2 ASP 11 14.980 9.858 11.027 80 HB3 ASP 11 HB3 ASP 11 15.631 10.047 9.401 81 H VAL 12 H VAL 12 15.180 12.467 7.909 82 HA VAL 12 HA VAL 12 17.849 13.514 7.791 83 HB VAL 12 HB VAL 12 15.684 13.689 5.692 84 HG11 VAL 12 HG11 VAL 12 17.434 15.204 5.171 85 HG12 VAL 12 HG12 VAL 12 18.674 14.024 5.598 86 HG13 VAL 12 HG13 VAL 12 17.681 13.780 4.161 87 HG21 VAL 12 HG21 VAL 12 17.342 11.711 4.861 88 HG22 VAL 12 HG22 VAL 12 17.357 11.452 6.605 89 HG23 VAL 12 HG23 VAL 12 15.828 11.443 5.726 90 H HIS 13 H HIS 13 14.588 14.893 7.661 91 HA HIS 13 HA HIS 13 15.244 17.533 7.097 92 HB2 HIS 13 HB2 HIS 13 12.934 16.097 7.962 93 HB3 HIS 13 HB3 HIS 13 13.092 17.540 8.960 94 HD1 HIS 13 HD1 HIS 13 11.781 19.400 8.026 95 HD2 HIS 13 HD2 HIS 13 13.362 16.991 5.034 96 HE1 HIS 13 HE1 HIS 13 11.023 20.432 5.862 97 H PHE 14 H PHE 14 15.638 15.713 10.015 98 HA PHE 14 HA PHE 14 16.043 18.063 11.664 99 HB2 PHE 14 HB2 PHE 14 14.969 16.039 12.597 100 HB3 PHE 14 HB3 PHE 14 16.456 15.138 12.321 101 HD1 PHE 14 HD2 PHE 14 15.900 18.553 13.696 102 HD2 PHE 14 HD1 PHE 14 17.303 14.596 14.395 103 HE1 PHE 14 HE2 PHE 14 16.722 19.239 15.911 104 HE2 PHE 14 HE1 PHE 14 18.126 15.276 16.612 105 HZ PHE 14 HZ PHE 14 17.837 17.600 17.372 106 H LEU 15 H LEU 15 17.954 15.605 10.048 107 HA LEU 15 HA LEU 15 20.424 16.027 11.256 108 HB2 LEU 15 HB2 LEU 15 19.415 14.733 8.896 109 HB3 LEU 15 HB3 LEU 15 20.931 15.558 8.536 110 HG LEU 15 HG LEU 15 21.174 13.156 9.160 111 HD11 LEU 15 HD11 LEU 15 23.187 13.513 10.174 112 HD12 LEU 15 HD12 LEU 15 22.543 14.725 11.281 113 HD13 LEU 15 HD13 LEU 15 22.848 15.144 9.596 114 HD21 LEU 15 HD21 LEU 15 20.886 12.472 11.445 115 HD22 LEU 15 HD22 LEU 15 19.366 13.150 10.862 116 HD23 LEU 15 HD23 LEU 15 20.410 14.103 11.919 117 H GLY 16 H GLY 16 19.016 17.626 8.406 118 HA2 GLY 16 HA2 GLY 16 21.142 19.263 7.716 119 HA3 GLY 16 HA3 GLY 16 19.452 19.675 7.467 120 H SER 17 H SER 17 18.561 19.909 10.069 121 HA SER 17 HA SER 17 19.503 22.512 10.726 122 HB2 SER 17 HB2 SER 17 17.646 22.646 12.023 123 HB3 SER 17 HB3 SER 17 17.182 21.162 11.190 124 HG SER 17 HG SER 17 17.038 20.563 13.246 125 H ASN 18 H ASN 18 20.611 19.419 11.499 126 HA ASN 18 HA ASN 18 21.799 20.211 14.038 127 HB2 ASN 18 HB2 ASN 18 20.884 17.785 13.038 128 HB3 ASN 18 HB3 ASN 18 22.637 17.625 12.990 129 HD21 ASN 18 HD21 ASN 18 19.949 17.231 14.857 130 HD22 ASN 18 HD22 ASN 18 20.691 17.195 16.417 131 H VAL 19 H VAL 19 22.845 19.117 10.823 132 HA VAL 19 HA VAL 19 25.594 19.221 11.212 133 HB VAL 19 HB VAL 19 24.165 19.950 8.654 134 HG11 VAL 19 HG11 VAL 19 26.407 20.441 8.313 135 HG12 VAL 19 HG12 VAL 19 26.957 19.105 9.326 136 HG13 VAL 19 HG13 VAL 19 26.278 18.782 7.730 137 HG21 VAL 19 HG21 VAL 19 23.390 17.872 8.559 138 HG22 VAL 19 HG22 VAL 19 25.042 17.261 8.633 139 HG23 VAL 19 HG23 VAL 19 24.125 17.505 10.120 140 H MET 20 H MET 20 23.298 21.793 10.701 141 HA MET 20 HA MET 20 25.287 23.787 10.112 142 HB2 MET 20 HB2 MET 20 23.517 25.306 9.926 143 HB3 MET 20 HB3 MET 20 22.819 23.784 9.388 144 HG2 MET 20 HG2 MET 20 21.919 23.489 11.708 145 HG3 MET 20 HG3 MET 20 22.446 25.136 12.044 146 HE1 MET 20 HE1 MET 20 19.779 27.168 11.412 147 HE2 MET 20 HE2 MET 20 19.208 25.807 12.377 148 HE3 MET 20 HE3 MET 20 20.869 26.376 12.550 149 H GLU 21 H GLU 21 23.561 22.649 12.944 150 HA GLU 21 HA GLU 21 24.314 24.797 14.653 151 HB2 GLU 21 HB2 GLU 21 22.405 23.509 15.271 152 HB3 GLU 21 HB3 GLU 21 23.313 22.005 15.195 153 HG2 GLU 21 HG2 GLU 21 23.921 22.183 17.314 154 HG3 GLU 21 HG3 GLU 21 24.524 23.821 17.065 155 H GLU 22 H GLU 22 25.741 21.705 13.810 156 HA GLU 22 HA GLU 22 27.762 21.821 15.848 157 HB2 GLU 22 HB2 GLU 22 28.713 19.863 14.716 158 HB3 GLU 22 HB3 GLU 22 26.989 19.668 14.995 159 HG2 GLU 22 HG2 GLU 22 26.572 20.327 12.652 160 HG3 GLU 22 HG3 GLU 22 28.314 20.396 12.394 161 H GLN 23 H GLN 23 27.426 22.917 12.572 162 HA GLN 23 HA GLN 23 30.253 23.355 12.183 163 HB2 GLN 23 HB2 GLN 23 27.927 23.276 10.533 164 HB3 GLN 23 HB3 GLN 23 28.711 24.833 10.303 165 HG2 GLN 23 HG2 GLN 23 30.800 23.723 9.756 166 HG3 GLN 23 HG3 GLN 23 30.051 22.151 10.034 167 HE21 GLN 23 HE21 GLN 23 28.112 21.690 8.684 168 HE22 GLN 23 HE22 GLN 23 28.144 22.212 7.037 169 H ASP 24 H ASP 24 27.484 25.171 13.257 170 HA ASP 24 HA ASP 24 28.735 27.744 13.011 171 HB2 ASP 24 HB2 ASP 24 26.210 27.210 13.031 172 HB3 ASP 24 HB3 ASP 24 26.380 27.137 14.783 173 H LEU 25 H LEU 25 28.619 25.239 15.395 174 HA LEU 25 HA LEU 25 29.501 26.931 17.564 175 HB2 LEU 25 HB2 LEU 25 28.433 24.298 17.272 176 HB3 LEU 25 HB3 LEU 25 29.945 24.208 18.173 177 HG LEU 25 HG LEU 25 29.052 25.824 19.799 178 HD11 LEU 25 HD11 LEU 25 26.276 25.574 19.013 179 HD12 LEU 25 HD12 LEU 25 27.233 26.428 17.803 180 HD13 LEU 25 HD13 LEU 25 27.198 27.007 19.469 181 HD21 LEU 25 HD21 LEU 25 28.819 23.488 20.298 182 HD22 LEU 25 HD22 LEU 25 27.372 23.371 19.296 183 HD23 LEU 25 HD23 LEU 25 27.340 24.316 20.785 184 H ARG 26 H ARG 26 30.931 24.946 15.113 185 HA ARG 26 HA ARG 26 33.527 24.916 16.432 186 HB2 ARG 26 HB2 ARG 26 34.236 23.431 14.730 187 HB3 ARG 26 HB3 ARG 26 32.594 22.947 15.132 188 HG2 ARG 26 HG2 ARG 26 31.777 24.188 13.166 189 HG3 ARG 26 HG3 ARG 26 33.447 24.577 12.749 190 HD2 ARG 26 HD2 ARG 26 32.730 22.687 11.444 191 HD3 ARG 26 HD3 ARG 26 33.933 22.154 12.618 192 HE ARG 26 HE ARG 26 31.317 21.828 13.652 193 HH11 ARG 26 HH12 ARG 26 33.561 20.455 11.372 194 HH12 ARG 26 HH11 ARG 26 32.895 18.859 11.480 195 HH21 ARG 26 HH22 ARG 26 30.432 19.732 13.803 196 HH22 ARG 26 HH21 ARG 26 31.115 18.449 12.863 197 H ASP 27 H ASP 27 31.860 26.518 13.809 198 HA ASP 27 HA ASP 27 33.960 27.612 12.386 199 HB2 ASP 27 HB2 ASP 27 31.576 27.817 11.751 200 HB3 ASP 27 HB3 ASP 27 31.343 28.974 13.059 201 H ILE 28 H ILE 28 32.348 28.955 15.258 202 HA ILE 28 HA ILE 28 33.795 31.312 15.484 203 HB ILE 28 HB ILE 28 32.798 29.623 17.780 204 HG12 ILE 28 HG12 ILE 28 31.002 30.018 16.185 205 HG13 ILE 28 HG13 ILE 28 30.749 31.005 17.620 206 HG21 ILE 28 HG21 ILE 28 32.493 32.264 18.454 207 HG22 ILE 28 HG22 ILE 28 33.802 31.212 18.988 208 HG23 ILE 28 HG23 ILE 28 34.029 32.259 17.588 209 HD11 ILE 28 HD11 ILE 28 32.174 32.682 16.001 210 HD12 ILE 28 HD12 ILE 28 31.170 31.795 14.853 211 HD13 ILE 28 HD13 ILE 28 30.420 32.672 16.186 212 H GLY 29 H GLY 29 34.744 28.048 16.176 213 HA2 GLY 29 HA2 GLY 29 37.057 28.848 17.742 214 HA3 GLY 29 HA3 GLY 29 36.607 27.206 17.306 215 H ILE 30 H ILE 30 36.316 28.076 14.442 216 HA ILE 30 HA ILE 30 39.123 27.721 13.750 217 HB ILE 30 HB ILE 30 36.696 27.711 11.952 218 HG12 ILE 30 HG12 ILE 30 38.040 25.169 12.328 219 HG13 ILE 30 HG13 ILE 30 37.473 25.819 13.862 220 HG21 ILE 30 HG21 ILE 30 39.575 27.534 11.467 221 HG22 ILE 30 HG22 ILE 30 38.636 26.248 10.712 222 HG23 ILE 30 HG23 ILE 30 38.260 27.935 10.363 223 HD11 ILE 30 HD11 ILE 30 35.503 24.938 13.368 224 HD12 ILE 30 HD12 ILE 30 35.342 26.190 12.136 225 HD13 ILE 30 HD13 ILE 30 35.990 24.607 11.706 226 H SER 31 H SER 31 36.785 30.204 13.887 227 HA SER 31 HA SER 31 38.373 31.909 12.091 228 HB2 SER 31 HB2 SER 31 35.545 31.588 12.475 229 HB3 SER 31 HB3 SER 31 36.000 33.249 12.856 230 HG SER 31 HG SER 31 35.855 33.421 10.747 231 H ASP 32 H ASP 32 38.172 31.169 15.251 232 HA ASP 32 HA ASP 32 37.919 33.502 16.690 233 HB2 ASP 32 HB2 ASP 32 39.234 30.917 17.088 234 HB3 ASP 32 HB3 ASP 32 40.000 32.231 17.977 235 HA PRO 33 HA PRO 33 41.262 36.149 15.656 236 HB2 PRO 33 HB2 PRO 33 41.792 37.309 18.052 237 HB3 PRO 33 HB3 PRO 33 40.347 37.680 17.104 238 HG2 PRO 33 HG2 PRO 33 40.655 35.843 19.448 239 HG3 PRO 33 HG3 PRO 33 39.361 37.004 19.099 240 HD2 PRO 33 HD2 PRO 33 39.100 34.349 18.637 241 HD3 PRO 33 HD3 PRO 33 38.305 35.576 17.630 242 H GLN 34 H GLN 34 41.820 34.409 18.720 243 HA GLN 34 HA GLN 34 44.571 34.625 18.844 244 HB2 GLN 34 HB2 GLN 34 42.734 32.409 19.742 245 HB3 GLN 34 HB3 GLN 34 44.457 32.413 20.096 246 HG2 GLN 34 HG2 GLN 34 44.231 34.484 21.327 247 HG3 GLN 34 HG3 GLN 34 42.518 34.562 20.918 248 HE21 GLN 34 HE21 GLN 34 41.104 33.615 22.231 249 HE22 GLN 34 HE22 GLN 34 41.506 32.567 23.543 250 H HIS 35 H HIS 35 42.613 32.635 16.780 251 HA HIS 35 HA HIS 35 44.347 30.620 16.045 252 HB2 HIS 35 HB2 HIS 35 41.890 31.476 15.187 253 HB3 HIS 35 HB3 HIS 35 42.898 31.808 13.781 254 HD1 HIS 35 HD1 HIS 35 40.745 29.663 13.593 255 HD2 HIS 35 HD2 HIS 35 44.672 28.884 14.706 256 HE1 HIS 35 HE1 HIS 35 41.115 27.227 13.092 257 H ARG 36 H ARG 36 44.167 33.926 14.778 258 HA ARG 36 HA ARG 36 46.120 33.655 12.783 259 HB2 ARG 36 HB2 ARG 36 44.607 35.788 13.991 260 HB3 ARG 36 HB3 ARG 36 46.278 36.290 13.768 261 HG2 ARG 36 HG2 ARG 36 46.174 35.872 11.427 262 HG3 ARG 36 HG3 ARG 36 44.600 35.089 11.581 263 HD2 ARG 36 HD2 ARG 36 44.110 37.232 10.780 264 HD3 ARG 36 HD3 ARG 36 43.779 37.322 12.510 265 HE ARG 36 HE ARG 36 45.463 38.854 12.712 266 HH11 ARG 36 HH12 ARG 36 45.803 37.193 9.672 267 HH12 ARG 36 HH11 ARG 36 47.077 38.220 9.104 268 HH21 ARG 36 HH22 ARG 36 47.139 40.214 11.976 269 HH22 ARG 36 HH21 ARG 36 47.837 39.938 10.416 270 H ARG 37 H ARG 37 46.364 34.228 16.224 271 HA ARG 37 HA ARG 37 49.141 34.947 16.169 272 HB2 ARG 37 HB2 ARG 37 47.036 34.669 18.178 273 HB3 ARG 37 HB3 ARG 37 48.606 34.119 18.748 274 HG2 ARG 37 HG2 ARG 37 49.349 36.436 17.652 275 HG3 ARG 37 HG3 ARG 37 47.679 36.837 18.060 276 HD2 ARG 37 HD2 ARG 37 49.133 35.439 20.182 277 HD3 ARG 37 HD3 ARG 37 49.809 37.013 19.763 278 HE ARG 37 HE ARG 37 47.179 37.544 20.018 279 HH11 ARG 37 HH12 ARG 37 49.471 35.904 22.061 280 HH12 ARG 37 HH11 ARG 37 48.675 36.351 23.534 281 HH21 ARG 37 HH22 ARG 37 46.123 38.140 21.950 282 HH22 ARG 37 HH21 ARG 37 46.771 37.622 23.469 283 H LYS 38 H LYS 38 47.295 32.001 16.597 284 HA LYS 38 HA LYS 38 49.585 30.444 17.407 285 HB2 LYS 38 HB2 LYS 38 46.905 30.130 17.754 286 HB3 LYS 38 HB3 LYS 38 47.193 29.035 16.407 287 HG2 LYS 38 HG2 LYS 38 48.845 27.829 17.693 288 HG3 LYS 38 HG3 LYS 38 48.675 28.970 19.028 289 HD2 LYS 38 HD2 LYS 38 46.315 27.438 17.989 290 HD3 LYS 38 HD3 LYS 38 47.422 26.720 19.161 291 HE2 LYS 38 HE2 LYS 38 46.478 29.436 19.797 292 HE3 LYS 38 HE3 LYS 38 45.242 28.180 19.820 293 HZ1 LYS 38 HZ1 LYS 38 47.739 28.287 21.414 294 HZ2 LYS 38 HZ2 LYS 38 46.782 26.897 21.295 295 HZ3 LYS 38 HZ3 LYS 38 46.146 28.306 21.983 296 H LEU 39 H LEU 39 48.066 31.358 14.453 297 HA LEU 39 HA LEU 39 49.326 29.229 12.924 298 HB2 LEU 39 HB2 LEU 39 46.999 30.545 12.583 299 HB3 LEU 39 HB3 LEU 39 48.047 31.493 11.530 300 HG LEU 39 HG LEU 39 46.835 29.761 10.299 301 HD11 LEU 39 HD11 LEU 39 48.604 29.137 8.969 302 HD12 LEU 39 HD12 LEU 39 49.676 28.850 10.339 303 HD13 LEU 39 HD13 LEU 39 49.294 30.500 9.849 304 HD21 LEU 39 HD21 LEU 39 48.292 27.458 11.158 305 HD22 LEU 39 HD22 LEU 39 46.548 27.716 11.107 306 HD23 LEU 39 HD23 LEU 39 47.466 28.175 12.542 307 H LEU 40 H LEU 40 49.920 32.489 13.846 308 HA LEU 40 HA LEU 40 51.664 33.198 11.711 309 HB2 LEU 40 HB2 LEU 40 50.657 34.393 14.118 310 HB3 LEU 40 HB3 LEU 40 52.398 34.645 14.005 311 HG LEU 40 HG LEU 40 51.085 36.516 13.078 312 HD11 LEU 40 HD11 LEU 40 53.369 35.910 12.259 313 HD12 LEU 40 HD12 LEU 40 52.380 36.798 11.100 314 HD13 LEU 40 HD13 LEU 40 52.598 35.057 10.922 315 HD21 LEU 40 HD21 LEU 40 49.324 36.169 11.777 316 HD22 LEU 40 HD22 LEU 40 49.590 34.429 11.899 317 HD23 LEU 40 HD23 LEU 40 50.335 35.346 10.588 318 H GLN 41 H GLN 41 52.266 32.169 15.068 319 HA GLN 41 HA GLN 41 55.082 32.044 14.775 320 HB2 GLN 41 HB2 GLN 41 53.276 30.690 16.786 321 HB3 GLN 41 HB3 GLN 41 55.027 30.793 16.910 322 HG2 GLN 41 HG2 GLN 41 53.181 33.167 16.828 323 HG3 GLN 41 HG3 GLN 41 53.823 32.443 18.301 324 HE21 GLN 41 HE21 GLN 41 54.168 35.037 16.558 325 HE22 GLN 41 HE22 GLN 41 55.872 35.306 16.648 326 H ALA 42 H ALA 42 52.515 29.877 13.984 327 HA ALA 42 HA ALA 42 54.218 27.542 13.821 328 HB1 ALA 42 HB1 ALA 42 52.117 26.857 14.395 329 HB2 ALA 42 HB2 ALA 42 51.325 28.093 13.415 330 HB3 ALA 42 HB3 ALA 42 52.024 26.670 12.643 331 H ALA 43 H ALA 43 52.798 29.910 11.646 332 HA ALA 43 HA ALA 43 53.685 28.522 9.272 333 HB1 ALA 43 HB1 ALA 43 51.603 29.864 9.317 334 HB2 ALA 43 HB2 ALA 43 52.582 31.317 9.518 335 HB3 ALA 43 HB3 ALA 43 52.723 30.356 8.046 336 H ARG 44 H ARG 44 54.924 30.902 11.438 337 HA ARG 44 HA ARG 44 56.828 32.037 9.617 338 HB2 ARG 44 HB2 ARG 44 56.179 33.452 11.390 339 HB3 ARG 44 HB3 ARG 44 56.431 32.196 12.595 340 HG2 ARG 44 HG2 ARG 44 58.648 32.595 12.750 341 HG3 ARG 44 HG3 ARG 44 58.803 33.013 11.042 342 HD2 ARG 44 HD2 ARG 44 57.162 34.948 12.381 343 HD3 ARG 44 HD3 ARG 44 58.687 34.755 13.245 344 HE ARG 44 HE ARG 44 58.299 35.977 10.690 345 HH11 ARG 44 HH12 ARG 44 60.564 34.213 12.660 346 HH12 ARG 44 HH11 ARG 44 61.960 34.840 11.846 347 HH21 ARG 44 HH22 ARG 44 60.129 36.808 9.610 348 HH22 ARG 44 HH21 ARG 44 61.711 36.316 10.112 349 HN1 NH2 45 HN1 NH2 45 56.716 29.294 11.756 350 HN2 NH2 45 HN2 NH2 45 58.354 28.775 11.539 Start of MODEL 8 1 H1 ACE 1 H1 ACE 1 5.470 11.226 -2.903 2 H2 ACE 1 H2 ACE 1 6.413 11.081 -1.400 3 H3 ACE 1 H3 ACE 1 6.704 9.953 -2.746 4 H SER 2 H SER 2 6.284 8.862 -0.400 5 HA SER 2 HA SER 2 3.485 7.941 -0.483 6 HB2 SER 2 HB2 SER 2 5.619 6.117 0.520 7 HB3 SER 2 HB3 SER 2 4.126 5.738 -0.339 8 HG SER 2 HG SER 2 5.531 5.475 -1.918 9 H LYS 3 H LYS 3 3.272 6.450 1.703 10 HA LYS 3 HA LYS 3 3.407 8.403 3.828 11 HB2 LYS 3 HB2 LYS 3 1.565 6.544 3.226 12 HB3 LYS 3 HB3 LYS 3 2.518 5.624 4.383 13 HG2 LYS 3 HG2 LYS 3 2.254 7.671 5.914 14 HG3 LYS 3 HG3 LYS 3 0.957 8.141 4.812 15 HD2 LYS 3 HD2 LYS 3 0.142 5.686 5.195 16 HD3 LYS 3 HD3 LYS 3 1.131 5.794 6.653 17 HE2 LYS 3 HE2 LYS 3 -0.840 7.948 6.003 18 HE3 LYS 3 HE3 LYS 3 -1.383 6.446 6.750 19 HZ1 LYS 3 HZ1 LYS 3 -0.939 8.005 8.468 20 HZ2 LYS 3 HZ2 LYS 3 0.585 8.379 7.839 21 HZ3 LYS 3 HZ3 LYS 3 0.300 6.854 8.513 22 H LEU 4 H LEU 4 5.038 5.455 2.908 23 HA LEU 4 HA LEU 4 6.354 5.088 5.432 24 HB2 LEU 4 HB2 LEU 4 7.580 3.333 4.340 25 HB3 LEU 4 HB3 LEU 4 5.877 3.225 3.898 26 HG LEU 4 HG LEU 4 6.861 4.684 1.828 27 HD11 LEU 4 HD11 LEU 4 9.167 4.249 2.896 28 HD12 LEU 4 HD12 LEU 4 8.970 3.987 1.163 29 HD13 LEU 4 HD13 LEU 4 8.976 2.612 2.267 30 HD21 LEU 4 HD21 LEU 4 5.552 2.378 2.110 31 HD22 LEU 4 HD22 LEU 4 7.114 1.742 1.594 32 HD23 LEU 4 HD23 LEU 4 6.250 2.894 0.575 33 H LEU 5 H LEU 5 7.107 6.643 2.379 34 HA LEU 5 HA LEU 5 9.869 7.057 2.892 35 HB2 LEU 5 HB2 LEU 5 8.415 7.243 0.693 36 HB3 LEU 5 HB3 LEU 5 8.325 8.935 1.177 37 HG LEU 5 HG LEU 5 11.010 8.438 1.338 38 HD11 LEU 5 HD11 LEU 5 11.739 7.146 -0.462 39 HD12 LEU 5 HD12 LEU 5 10.141 7.113 -1.207 40 HD13 LEU 5 HD13 LEU 5 10.448 6.184 0.259 41 HD21 LEU 5 HD21 LEU 5 9.173 9.746 -0.557 42 HD22 LEU 5 HD22 LEU 5 10.796 9.416 -1.165 43 HD23 LEU 5 HD23 LEU 5 10.580 10.387 0.292 44 H LEU 6 H LEU 6 6.969 8.724 3.816 45 HA LEU 6 HA LEU 6 8.155 11.220 4.470 46 HB2 LEU 6 HB2 LEU 6 5.689 10.680 4.101 47 HB3 LEU 6 HB3 LEU 6 5.694 10.075 5.756 48 HG LEU 6 HG LEU 6 6.775 12.768 5.553 49 HD11 LEU 6 HD11 LEU 6 5.049 12.667 3.668 50 HD12 LEU 6 HD12 LEU 6 4.878 13.946 4.871 51 HD13 LEU 6 HD13 LEU 6 3.848 12.517 4.952 52 HD21 LEU 6 HD21 LEU 6 5.794 11.268 7.517 53 HD22 LEU 6 HD22 LEU 6 4.307 12.094 7.052 54 HD23 LEU 6 HD23 LEU 6 5.718 13.030 7.548 55 H ASN 7 H ASN 7 7.329 8.351 6.389 56 HA ASN 7 HA ASN 7 8.022 9.283 8.905 57 HB2 ASN 7 HB2 ASN 7 7.209 6.865 7.853 58 HB3 ASN 7 HB3 ASN 7 8.828 6.506 8.445 59 HD21 ASN 7 HD21 ASN 7 5.640 7.627 9.326 60 HD22 ASN 7 HD22 ASN 7 5.787 7.313 11.019 61 H GLY 8 H GLY 8 10.054 8.313 6.252 62 HA2 GLY 8 HA2 GLY 8 12.441 8.328 7.947 63 HA3 GLY 8 HA3 GLY 8 12.370 7.833 6.262 64 H PHE 9 H PHE 9 10.954 10.163 5.336 65 HA PHE 9 HA PHE 9 13.188 11.878 4.906 66 HB2 PHE 9 HB2 PHE 9 11.410 11.481 3.214 67 HB3 PHE 9 HB3 PHE 9 10.279 12.364 4.235 68 HD1 PHE 9 HD1 PHE 9 13.435 12.702 2.326 69 HD2 PHE 9 HD2 PHE 9 10.131 14.693 4.126 70 HE1 PHE 9 HE1 PHE 9 14.129 14.809 1.261 71 HE2 PHE 9 HE2 PHE 9 10.819 16.803 3.063 72 HZ PHE 9 HZ PHE 9 12.820 16.863 1.628 73 H ASP 10 H ASP 10 10.798 11.710 7.315 74 HA ASP 10 HA ASP 10 10.801 14.513 7.989 75 HB2 ASP 10 HB2 ASP 10 8.947 12.702 8.413 76 HB3 ASP 10 HB3 ASP 10 9.875 12.378 9.875 77 H ASP 11 H ASP 11 12.657 11.718 8.794 78 HA ASP 11 HA ASP 11 13.813 12.957 11.162 79 HB2 ASP 11 HB2 ASP 11 13.617 10.259 10.095 80 HB3 ASP 11 HB3 ASP 11 15.259 10.642 10.605 81 H VAL 12 H VAL 12 14.612 12.267 7.828 82 HA VAL 12 HA VAL 12 17.398 12.881 8.070 83 HB VAL 12 HB VAL 12 16.369 11.446 6.259 84 HG11 VAL 12 HG11 VAL 12 15.110 12.305 4.573 85 HG12 VAL 12 HG12 VAL 12 14.650 13.438 5.846 86 HG13 VAL 12 HG13 VAL 12 15.875 13.892 4.660 87 HG21 VAL 12 HG21 VAL 12 18.574 13.200 6.204 88 HG22 VAL 12 HG22 VAL 12 18.347 11.713 5.282 89 HG23 VAL 12 HG23 VAL 12 17.836 13.258 4.603 90 H HIS 13 H HIS 13 14.497 14.706 7.518 91 HA HIS 13 HA HIS 13 15.678 17.003 6.355 92 HB2 HIS 13 HB2 HIS 13 13.107 16.176 6.837 93 HB3 HIS 13 HB3 HIS 13 13.298 17.474 8.012 94 HD1 HIS 13 HD1 HIS 13 12.929 19.774 7.155 95 HD2 HIS 13 HD2 HIS 13 13.724 17.079 4.095 96 HE1 HIS 13 HE1 HIS 13 12.620 21.069 5.021 97 H PHE 14 H PHE 14 15.475 15.825 9.596 98 HA PHE 14 HA PHE 14 16.000 18.362 10.849 99 HB2 PHE 14 HB2 PHE 14 14.762 16.757 12.128 100 HB3 PHE 14 HB3 PHE 14 15.999 15.527 11.888 101 HD1 PHE 14 HD2 PHE 14 15.874 19.040 13.153 102 HD2 PHE 14 HD1 PHE 14 17.240 15.053 13.746 103 HE1 PHE 14 HE2 PHE 14 16.957 19.727 15.253 104 HE2 PHE 14 HE1 PHE 14 18.324 15.733 15.847 105 HZ PHE 14 HZ PHE 14 18.184 18.073 16.603 106 H LEU 15 H LEU 15 17.863 15.571 9.818 107 HA LEU 15 HA LEU 15 20.264 16.050 11.123 108 HB2 LEU 15 HB2 LEU 15 19.373 14.245 9.288 109 HB3 LEU 15 HB3 LEU 15 20.529 15.173 8.335 110 HG LEU 15 HG LEU 15 21.530 13.155 9.299 111 HD11 LEU 15 HD11 LEU 15 22.692 15.501 9.054 112 HD12 LEU 15 HD12 LEU 15 23.526 14.144 9.810 113 HD13 LEU 15 HD13 LEU 15 22.781 15.390 10.812 114 HD21 LEU 15 HD21 LEU 15 21.748 12.803 11.623 115 HD22 LEU 15 HD22 LEU 15 20.050 13.197 11.351 116 HD23 LEU 15 HD23 LEU 15 21.147 14.417 12.002 117 H GLY 16 H GLY 16 19.162 17.283 7.972 118 HA2 GLY 16 HA2 GLY 16 21.420 18.679 7.202 119 HA3 GLY 16 HA3 GLY 16 19.778 19.161 6.801 120 H SER 17 H SER 17 18.749 19.858 9.234 121 HA SER 17 HA SER 17 19.946 22.423 9.627 122 HB2 SER 17 HB2 SER 17 17.422 21.425 9.969 123 HB3 SER 17 HB3 SER 17 17.984 21.536 11.636 124 HG SER 17 HG SER 17 17.019 23.475 10.261 125 H ASN 18 H ASN 18 20.559 19.376 10.911 126 HA ASN 18 HA ASN 18 21.482 20.340 13.495 127 HB2 ASN 18 HB2 ASN 18 20.442 18.218 13.620 128 HB3 ASN 18 HB3 ASN 18 21.329 17.611 12.225 129 HD21 ASN 18 HD21 ASN 18 23.529 17.080 12.463 130 HD22 ASN 18 HD22 ASN 18 24.201 16.729 14.016 131 H VAL 19 H VAL 19 22.826 18.967 10.519 132 HA VAL 19 HA VAL 19 25.499 18.808 11.276 133 HB VAL 19 HB VAL 19 24.519 19.557 8.520 134 HG11 VAL 19 HG11 VAL 19 26.546 18.389 7.775 135 HG12 VAL 19 HG12 VAL 19 26.924 19.764 8.815 136 HG13 VAL 19 HG13 VAL 19 27.002 18.123 9.457 137 HG21 VAL 19 HG21 VAL 19 24.091 17.153 10.064 138 HG22 VAL 19 HG22 VAL 19 23.433 17.612 8.494 139 HG23 VAL 19 HG23 VAL 19 25.004 16.817 8.594 140 H MET 20 H MET 20 23.578 21.564 10.320 141 HA MET 20 HA MET 20 25.821 23.319 9.948 142 HB2 MET 20 HB2 MET 20 24.273 24.967 9.412 143 HB3 MET 20 HB3 MET 20 23.440 23.496 8.929 144 HG2 MET 20 HG2 MET 20 22.388 23.572 11.271 145 HG3 MET 20 HG3 MET 20 22.944 25.243 11.305 146 HE1 MET 20 HE1 MET 20 21.325 27.254 10.212 147 HE2 MET 20 HE2 MET 20 22.651 26.725 9.176 148 HE3 MET 20 HE3 MET 20 21.040 26.961 8.496 149 H GLU 21 H GLU 21 23.654 22.480 12.567 150 HA GLU 21 HA GLU 21 24.385 24.640 14.277 151 HB2 GLU 21 HB2 GLU 21 22.295 23.584 14.696 152 HB3 GLU 21 HB3 GLU 21 23.035 21.991 14.771 153 HG2 GLU 21 HG2 GLU 21 23.482 22.190 16.937 154 HG3 GLU 21 HG3 GLU 21 24.151 23.808 16.733 155 H GLU 22 H GLU 22 25.650 21.441 13.672 156 HA GLU 22 HA GLU 22 27.380 21.455 15.980 157 HB2 GLU 22 HB2 GLU 22 28.280 19.363 15.031 158 HB3 GLU 22 HB3 GLU 22 26.527 19.334 15.162 159 HG2 GLU 22 HG2 GLU 22 26.343 19.845 12.777 160 HG3 GLU 22 HG3 GLU 22 28.101 19.854 12.650 161 H GLN 23 H GLN 23 27.561 22.380 12.637 162 HA GLN 23 HA GLN 23 30.458 22.621 12.698 163 HB2 GLN 23 HB2 GLN 23 28.484 22.327 10.665 164 HB3 GLN 23 HB3 GLN 23 29.346 23.832 10.373 165 HG2 GLN 23 HG2 GLN 23 31.309 22.787 9.919 166 HG3 GLN 23 HG3 GLN 23 30.963 21.430 10.990 167 HE21 GLN 23 HE21 GLN 23 29.072 22.788 8.329 168 HE22 GLN 23 HE22 GLN 23 29.038 21.344 7.382 169 H ASP 24 H ASP 24 27.698 24.537 13.311 170 HA ASP 24 HA ASP 24 28.982 27.072 12.787 171 HB2 ASP 24 HB2 ASP 24 26.541 26.776 12.487 172 HB3 ASP 24 HB3 ASP 24 26.381 26.484 14.216 173 H LEU 25 H LEU 25 28.470 24.942 15.493 174 HA LEU 25 HA LEU 25 29.216 26.904 17.471 175 HB2 LEU 25 HB2 LEU 25 28.803 25.270 19.066 176 HB3 LEU 25 HB3 LEU 25 27.654 24.898 17.783 177 HG LEU 25 HG LEU 25 29.625 23.266 17.038 178 HD11 LEU 25 HD11 LEU 25 29.895 22.843 19.943 179 HD12 LEU 25 HD12 LEU 25 30.772 24.218 19.272 180 HD13 LEU 25 HD13 LEU 25 31.060 22.596 18.642 181 HD21 LEU 25 HD21 LEU 25 27.152 22.907 17.866 182 HD22 LEU 25 HD22 LEU 25 27.962 22.319 19.319 183 HD23 LEU 25 HD23 LEU 25 28.284 21.558 17.760 184 H ARG 26 H ARG 26 30.805 24.560 15.491 185 HA ARG 26 HA ARG 26 33.234 24.606 17.097 186 HB2 ARG 26 HB2 ARG 26 34.087 22.954 15.555 187 HB3 ARG 26 HB3 ARG 26 32.461 22.496 16.044 188 HG2 ARG 26 HG2 ARG 26 32.286 22.119 13.817 189 HG3 ARG 26 HG3 ARG 26 31.826 23.823 13.842 190 HD2 ARG 26 HD2 ARG 26 33.584 24.385 12.601 191 HD3 ARG 26 HD3 ARG 26 34.688 23.538 13.684 192 HE ARG 26 HE ARG 26 33.610 22.571 11.192 193 HH11 ARG 26 HH12 ARG 26 35.054 21.706 14.240 194 HH12 ARG 26 HH11 ARG 26 35.649 20.181 13.674 195 HH21 ARG 26 HH22 ARG 26 34.388 20.564 10.436 196 HH22 ARG 26 HH21 ARG 26 35.270 19.532 11.510 197 H ASP 27 H ASP 27 31.963 25.898 14.101 198 HA ASP 27 HA ASP 27 34.313 26.754 12.882 199 HB2 ASP 27 HB2 ASP 27 31.467 27.350 12.661 200 HB3 ASP 27 HB3 ASP 27 32.475 28.749 12.301 201 H ILE 28 H ILE 28 32.351 28.314 15.372 202 HA ILE 28 HA ILE 28 33.567 30.804 15.448 203 HB ILE 28 HB ILE 28 32.514 29.219 17.794 204 HG12 ILE 28 HG12 ILE 28 30.876 29.531 15.965 205 HG13 ILE 28 HG13 ILE 28 30.424 30.412 17.420 206 HG21 ILE 28 HG21 ILE 28 33.706 30.943 18.776 207 HG22 ILE 28 HG22 ILE 28 33.347 32.072 17.471 208 HG23 ILE 28 HG23 ILE 28 32.091 31.635 18.629 209 HD11 ILE 28 HD11 ILE 28 30.273 32.267 16.236 210 HD12 ILE 28 HD12 ILE 28 31.980 32.141 15.810 211 HD13 ILE 28 HD13 ILE 28 30.758 31.389 14.786 212 H GLY 29 H GLY 29 34.750 27.727 16.535 213 HA2 GLY 29 HA2 GLY 29 36.896 28.921 18.100 214 HA3 GLY 29 HA3 GLY 29 36.588 27.203 17.892 215 H ILE 30 H ILE 30 36.383 27.714 14.905 216 HA ILE 30 HA ILE 30 39.244 27.446 14.398 217 HB ILE 30 HB ILE 30 36.994 27.074 12.424 218 HG12 ILE 30 HG12 ILE 30 38.340 24.990 14.157 219 HG13 ILE 30 HG13 ILE 30 36.698 25.586 14.376 220 HG21 ILE 30 HG21 ILE 30 39.217 25.405 11.922 221 HG22 ILE 30 HG22 ILE 30 38.629 26.761 10.960 222 HG23 ILE 30 HG23 ILE 30 39.835 27.030 12.218 223 HD11 ILE 30 HD11 ILE 30 36.671 23.448 13.268 224 HD12 ILE 30 HD12 ILE 30 36.112 24.702 12.160 225 HD13 ILE 30 HD13 ILE 30 37.746 24.054 12.008 226 H SER 31 H SER 31 36.874 29.826 14.270 227 HA SER 31 HA SER 31 38.352 31.344 12.225 228 HB2 SER 31 HB2 SER 31 35.542 30.955 12.673 229 HB3 SER 31 HB3 SER 31 35.927 32.668 12.843 230 HG SER 31 HG SER 31 36.547 32.754 10.785 231 H ASP 32 H ASP 32 38.171 30.999 15.461 232 HA ASP 32 HA ASP 32 37.840 33.491 16.586 233 HB2 ASP 32 HB2 ASP 32 39.023 30.992 17.362 234 HB3 ASP 32 HB3 ASP 32 40.044 32.317 17.914 235 HA PRO 33 HA PRO 33 41.116 36.076 15.234 236 HB2 PRO 33 HB2 PRO 33 41.613 37.537 17.468 237 HB3 PRO 33 HB3 PRO 33 40.160 37.750 16.484 238 HG2 PRO 33 HG2 PRO 33 40.513 36.225 19.036 239 HG3 PRO 33 HG3 PRO 33 39.190 37.300 18.549 240 HD2 PRO 33 HD2 PRO 33 38.999 34.602 18.419 241 HD3 PRO 33 HD3 PRO 33 38.172 35.675 17.270 242 H GLN 34 H GLN 34 41.713 34.733 18.484 243 HA GLN 34 HA GLN 34 44.460 35.036 18.573 244 HB2 GLN 34 HB2 GLN 34 42.673 32.915 19.753 245 HB3 GLN 34 HB3 GLN 34 44.397 32.990 20.090 246 HG2 GLN 34 HG2 GLN 34 43.878 35.449 20.763 247 HG3 GLN 34 HG3 GLN 34 42.224 34.857 20.910 248 HE21 GLN 34 HE21 GLN 34 41.737 33.321 22.487 249 HE22 GLN 34 HE22 GLN 34 42.784 33.024 23.828 250 H HIS 35 H HIS 35 42.552 32.762 16.777 251 HA HIS 35 HA HIS 35 44.334 30.711 16.298 252 HB2 HIS 35 HB2 HIS 35 41.855 31.374 15.358 253 HB3 HIS 35 HB3 HIS 35 42.843 31.583 13.915 254 HD1 HIS 35 HD1 HIS 35 40.783 29.361 13.944 255 HD2 HIS 35 HD2 HIS 35 44.714 28.839 15.185 256 HE1 HIS 35 HE1 HIS 35 41.236 26.897 13.725 257 H ARG 36 H ARG 36 43.997 33.756 14.489 258 HA ARG 36 HA ARG 36 45.994 33.290 12.598 259 HB2 ARG 36 HB2 ARG 36 45.918 35.613 12.123 260 HB3 ARG 36 HB3 ARG 36 44.291 35.163 12.616 261 HG2 ARG 36 HG2 ARG 36 44.405 36.927 13.970 262 HG3 ARG 36 HG3 ARG 36 45.430 35.913 14.987 263 HD2 ARG 36 HD2 ARG 36 46.857 37.653 14.768 264 HD3 ARG 36 HD3 ARG 36 47.275 36.820 13.271 265 HE ARG 36 HE ARG 36 46.429 38.596 12.122 266 HH11 ARG 36 HH12 ARG 36 45.063 38.599 15.324 267 HH12 ARG 36 HH11 ARG 36 44.228 40.102 15.107 268 HH21 ARG 36 HH22 ARG 36 45.335 40.575 11.825 269 HH22 ARG 36 HH21 ARG 36 44.383 41.225 13.116 270 H ARG 37 H ARG 37 46.214 34.113 15.945 271 HA ARG 37 HA ARG 37 48.953 35.027 15.789 272 HB2 ARG 37 HB2 ARG 37 46.862 34.865 17.849 273 HB3 ARG 37 HB3 ARG 37 48.488 34.557 18.445 274 HG2 ARG 37 HG2 ARG 37 48.723 36.806 16.812 275 HG3 ARG 37 HG3 ARG 37 47.236 37.045 17.733 276 HD2 ARG 37 HD2 ARG 37 48.404 36.744 19.807 277 HD3 ARG 37 HD3 ARG 37 49.879 36.280 18.961 278 HE ARG 37 HE ARG 37 49.256 38.804 18.054 279 HH11 ARG 37 HH12 ARG 37 49.967 37.320 21.122 280 HH12 ARG 37 HH11 ARG 37 50.668 38.753 21.800 281 HH21 ARG 37 HH22 ARG 37 50.175 40.696 18.936 282 HH22 ARG 37 HH21 ARG 37 50.785 40.673 20.556 283 H LYS 38 H LYS 38 47.224 32.084 16.555 284 HA LYS 38 HA LYS 38 49.583 30.737 17.549 285 HB2 LYS 38 HB2 LYS 38 46.707 30.170 17.374 286 HB3 LYS 38 HB3 LYS 38 47.729 28.765 17.106 287 HG2 LYS 38 HG2 LYS 38 48.612 28.834 19.239 288 HG3 LYS 38 HG3 LYS 38 48.217 30.540 19.457 289 HD2 LYS 38 HD2 LYS 38 46.075 28.459 19.148 290 HD3 LYS 38 HD3 LYS 38 46.805 28.805 20.717 291 HE2 LYS 38 HE2 LYS 38 46.231 31.249 20.245 292 HE3 LYS 38 HE3 LYS 38 45.208 30.634 18.947 293 HZ1 LYS 38 HZ1 LYS 38 44.648 30.784 21.698 294 HZ2 LYS 38 HZ2 LYS 38 44.632 29.157 21.236 295 HZ3 LYS 38 HZ3 LYS 38 43.637 30.271 20.443 296 H LEU 39 H LEU 39 48.011 31.219 14.530 297 HA LEU 39 HA LEU 39 49.304 28.938 13.270 298 HB2 LEU 39 HB2 LEU 39 46.937 29.992 12.786 299 HB3 LEU 39 HB3 LEU 39 47.872 31.043 11.725 300 HG LEU 39 HG LEU 39 48.718 28.488 11.056 301 HD11 LEU 39 HD11 LEU 39 45.828 28.501 11.819 302 HD12 LEU 39 HD12 LEU 39 47.056 27.267 12.101 303 HD13 LEU 39 HD13 LEU 39 46.394 27.499 10.482 304 HD21 LEU 39 HD21 LEU 39 48.233 30.484 9.613 305 HD22 LEU 39 HD22 LEU 39 46.527 30.043 9.695 306 HD23 LEU 39 HD23 LEU 39 47.690 28.938 8.961 307 H LEU 40 H LEU 40 49.820 32.308 13.748 308 HA LEU 40 HA LEU 40 51.546 32.746 11.519 309 HB2 LEU 40 HB2 LEU 40 50.517 34.651 12.443 310 HB3 LEU 40 HB3 LEU 40 51.031 34.232 14.076 311 HG LEU 40 HG LEU 40 53.380 34.716 13.385 312 HD11 LEU 40 HD11 LEU 40 52.000 35.225 10.820 313 HD12 LEU 40 HD12 LEU 40 53.627 34.625 11.137 314 HD13 LEU 40 HD13 LEU 40 53.281 36.348 11.276 315 HD21 LEU 40 HD21 LEU 40 52.934 36.646 14.381 316 HD22 LEU 40 HD22 LEU 40 51.237 36.530 13.915 317 HD23 LEU 40 HD23 LEU 40 52.399 37.300 12.833 318 H GLN 41 H GLN 41 52.109 32.149 14.979 319 HA GLN 41 HA GLN 41 54.941 32.141 14.764 320 HB2 GLN 41 HB2 GLN 41 53.215 32.264 16.846 321 HB3 GLN 41 HB3 GLN 41 53.702 30.577 16.945 322 HG2 GLN 41 HG2 GLN 41 56.032 31.232 17.090 323 HG3 GLN 41 HG3 GLN 41 55.581 32.928 16.922 324 HE21 GLN 41 HE21 GLN 41 55.394 34.031 18.729 325 HE22 GLN 41 HE22 GLN 41 55.099 33.374 20.299 326 H ALA 42 H ALA 42 52.491 29.773 14.198 327 HA ALA 42 HA ALA 42 54.324 27.530 14.320 328 HB1 ALA 42 HB1 ALA 42 51.402 27.860 13.878 329 HB2 ALA 42 HB2 ALA 42 52.182 26.393 13.285 330 HB3 ALA 42 HB3 ALA 42 52.265 26.806 14.998 331 H ALA 43 H ALA 43 52.910 29.638 11.925 332 HA ALA 43 HA ALA 43 53.761 27.993 9.699 333 HB1 ALA 43 HB1 ALA 43 51.695 29.237 9.493 334 HB2 ALA 43 HB2 ALA 43 52.552 30.754 9.766 335 HB3 ALA 43 HB3 ALA 43 52.866 29.815 8.307 336 H ARG 44 H ARG 44 55.001 30.600 11.590 337 HA ARG 44 HA ARG 44 56.833 31.655 9.698 338 HB2 ARG 44 HB2 ARG 44 56.512 31.826 12.667 339 HB3 ARG 44 HB3 ARG 44 58.013 32.383 11.939 340 HG2 ARG 44 HG2 ARG 44 55.948 33.507 10.411 341 HG3 ARG 44 HG3 ARG 44 55.477 33.698 12.101 342 HD2 ARG 44 HD2 ARG 44 57.423 34.905 12.619 343 HD3 ARG 44 HD3 ARG 44 58.231 34.400 11.136 344 HE ARG 44 HE ARG 44 56.446 36.616 11.460 345 HH11 ARG 44 HH12 ARG 44 57.675 34.270 9.200 346 HH12 ARG 44 HH11 ARG 44 57.359 35.252 7.808 347 HH21 ARG 44 HH22 ARG 44 56.026 37.918 9.635 348 HH22 ARG 44 HH21 ARG 44 56.422 37.328 8.057 349 HN1 NH2 45 HN1 NH2 45 56.973 29.032 12.052 350 HN2 NH2 45 HN2 NH2 45 58.546 28.452 11.615 Start of MODEL 9 1 H1 ACE 1 H1 ACE 1 0.106 0.809 1.815 2 H2 ACE 1 H2 ACE 1 1.841 0.539 1.520 3 H3 ACE 1 H3 ACE 1 1.233 0.681 3.187 4 H SER 2 H SER 2 0.129 2.630 0.530 5 HA SER 2 HA SER 2 0.212 4.864 0.111 6 HB2 SER 2 HB2 SER 2 -0.350 6.134 1.890 7 HB3 SER 2 HB3 SER 2 -0.281 4.631 2.810 8 HG SER 2 HG SER 2 1.040 6.032 3.863 9 H LYS 3 H LYS 3 1.695 6.849 0.255 10 HA LYS 3 HA LYS 3 4.161 6.266 -0.837 11 HB2 LYS 3 HB2 LYS 3 2.721 8.564 -0.320 12 HB3 LYS 3 HB3 LYS 3 4.159 8.772 0.672 13 HG2 LYS 3 HG2 LYS 3 5.455 8.147 -1.465 14 HG3 LYS 3 HG3 LYS 3 3.942 8.511 -2.299 15 HD2 LYS 3 HD2 LYS 3 5.196 10.440 -0.366 16 HD3 LYS 3 HD3 LYS 3 5.649 10.401 -2.071 17 HE2 LYS 3 HE2 LYS 3 2.974 10.460 -2.309 18 HE3 LYS 3 HE3 LYS 3 3.155 11.324 -0.783 19 HZ1 LYS 3 HZ1 LYS 3 4.873 12.097 -3.025 20 HZ2 LYS 3 HZ2 LYS 3 4.236 13.046 -1.778 21 HZ3 LYS 3 HZ3 LYS 3 3.249 12.572 -3.068 22 H LEU 4 H LEU 4 3.397 7.069 2.536 23 HA LEU 4 HA LEU 4 4.615 6.907 4.457 24 HB2 LEU 4 HB2 LEU 4 4.250 4.517 3.782 25 HB3 LEU 4 HB3 LEU 4 5.869 4.537 3.086 26 HG LEU 4 HG LEU 4 6.311 5.389 5.660 27 HD11 LEU 4 HD11 LEU 4 5.097 4.048 7.164 28 HD12 LEU 4 HD12 LEU 4 4.380 3.096 5.865 29 HD13 LEU 4 HD13 LEU 4 3.890 4.773 6.102 30 HD21 LEU 4 HD21 LEU 4 6.768 3.016 4.041 31 HD22 LEU 4 HD22 LEU 4 6.693 2.662 5.767 32 HD23 LEU 4 HD23 LEU 4 7.847 3.851 5.159 33 H LEU 5 H LEU 5 5.727 8.640 2.496 34 HA LEU 5 HA LEU 5 8.618 8.240 2.832 35 HB2 LEU 5 HB2 LEU 5 6.934 9.618 0.819 36 HB3 LEU 5 HB3 LEU 5 8.510 10.324 1.174 37 HG LEU 5 HG LEU 5 8.088 7.479 0.267 38 HD11 LEU 5 HD11 LEU 5 7.671 9.685 -1.274 39 HD12 LEU 5 HD12 LEU 5 8.192 8.113 -1.877 40 HD13 LEU 5 HD13 LEU 5 9.384 9.371 -1.551 41 HD21 LEU 5 HD21 LEU 5 10.542 7.690 -0.242 42 HD22 LEU 5 HD22 LEU 5 10.124 7.661 1.471 43 HD23 LEU 5 HD23 LEU 5 10.529 9.189 0.687 44 H LEU 6 H LEU 6 5.962 10.375 3.574 45 HA LEU 6 HA LEU 6 7.455 12.612 4.428 46 HB2 LEU 6 HB2 LEU 6 5.014 12.583 3.921 47 HB3 LEU 6 HB3 LEU 6 4.759 11.716 5.434 48 HG LEU 6 HG LEU 6 6.199 14.287 5.638 49 HD11 LEU 6 HD11 LEU 6 3.328 14.082 4.778 50 HD12 LEU 6 HD12 LEU 6 4.622 15.045 4.065 51 HD13 LEU 6 HD13 LEU 6 3.964 15.482 5.642 52 HD21 LEU 6 HD21 LEU 6 5.745 13.172 7.658 53 HD22 LEU 6 HD22 LEU 6 4.086 12.810 7.182 54 HD23 LEU 6 HD23 LEU 6 4.551 14.468 7.565 55 H ASN 7 H ASN 7 6.521 9.632 6.005 56 HA ASN 7 HA ASN 7 7.216 10.485 8.646 57 HB2 ASN 7 HB2 ASN 7 6.491 7.876 7.371 58 HB3 ASN 7 HB3 ASN 7 7.228 7.871 8.971 59 HD21 ASN 7 HD21 ASN 7 4.580 9.294 7.115 60 HD22 ASN 7 HD22 ASN 7 3.476 9.402 8.439 61 H GLY 8 H GLY 8 8.916 9.072 5.961 62 HA2 GLY 8 HA2 GLY 8 11.196 8.251 7.534 63 HA3 GLY 8 HA3 GLY 8 11.069 8.221 5.782 64 H PHE 9 H PHE 9 10.312 11.013 5.550 65 HA PHE 9 HA PHE 9 12.923 12.139 5.437 66 HB2 PHE 9 HB2 PHE 9 10.628 12.629 4.099 67 HB3 PHE 9 HB3 PHE 9 10.588 13.952 5.259 68 HD1 PHE 9 HD2 PHE 9 12.860 15.276 5.481 69 HD2 PHE 9 HD1 PHE 9 11.710 12.955 2.104 70 HE1 PHE 9 HE2 PHE 9 14.420 16.557 4.075 71 HE2 PHE 9 HE1 PHE 9 13.270 14.232 0.692 72 HZ PHE 9 HZ PHE 9 14.626 16.036 1.676 73 H ASP 10 H ASP 10 10.358 12.198 7.764 74 HA ASP 10 HA ASP 10 10.848 14.525 9.167 75 HB2 ASP 10 HB2 ASP 10 9.021 12.803 9.575 76 HB3 ASP 10 HB3 ASP 10 10.213 11.891 10.497 77 H ASP 11 H ASP 11 12.263 11.322 9.849 78 HA ASP 11 HA ASP 11 13.996 12.091 11.872 79 HB2 ASP 11 HB2 ASP 11 13.500 9.756 10.406 80 HB3 ASP 11 HB3 ASP 11 15.216 10.085 10.177 81 H VAL 12 H VAL 12 14.248 12.545 8.438 82 HA VAL 12 HA VAL 12 17.056 13.181 8.462 83 HB VAL 12 HB VAL 12 15.001 13.709 6.311 84 HG11 VAL 12 HG11 VAL 12 16.709 15.014 5.589 85 HG12 VAL 12 HG12 VAL 12 17.925 14.123 6.507 86 HG13 VAL 12 HG13 VAL 12 17.310 13.469 4.988 87 HG21 VAL 12 HG21 VAL 12 16.212 11.269 7.223 88 HG22 VAL 12 HG22 VAL 12 14.997 11.512 5.968 89 HG23 VAL 12 HG23 VAL 12 16.711 11.616 5.567 90 H HIS 13 H HIS 13 14.018 14.990 8.340 91 HA HIS 13 HA HIS 13 15.025 17.545 7.919 92 HB2 HIS 13 HB2 HIS 13 12.533 16.385 8.708 93 HB3 HIS 13 HB3 HIS 13 12.867 17.762 9.753 94 HD1 HIS 13 HD1 HIS 13 11.841 19.817 8.870 95 HD2 HIS 13 HD2 HIS 13 13.089 17.294 5.814 96 HE1 HIS 13 HE1 HIS 13 11.246 21.003 6.734 97 H PHE 14 H PHE 14 15.123 15.551 10.748 98 HA PHE 14 HA PHE 14 15.749 17.713 12.553 99 HB2 PHE 14 HB2 PHE 14 14.551 15.750 13.383 100 HB3 PHE 14 HB3 PHE 14 15.900 14.715 12.927 101 HD1 PHE 14 HD1 PHE 14 15.772 17.993 14.696 102 HD2 PHE 14 HD2 PHE 14 16.844 13.876 14.849 103 HE1 PHE 14 HE1 PHE 14 16.781 18.342 16.913 104 HE2 PHE 14 HE2 PHE 14 17.854 14.218 17.066 105 HZ PHE 14 HZ PHE 14 17.823 16.453 18.101 106 H LEU 15 H LEU 15 17.508 15.074 10.975 107 HA LEU 15 HA LEU 15 20.000 15.437 12.144 108 HB2 LEU 15 HB2 LEU 15 18.911 13.980 9.974 109 HB3 LEU 15 HB3 LEU 15 20.353 14.807 9.387 110 HG LEU 15 HG LEU 15 20.783 12.498 10.165 111 HD11 LEU 15 HD11 LEU 15 22.375 14.591 10.374 112 HD12 LEU 15 HD12 LEU 15 22.836 13.014 11.014 113 HD13 LEU 15 HD13 LEU 15 22.203 14.253 12.097 114 HD21 LEU 15 HD21 LEU 15 20.121 11.722 12.148 115 HD22 LEU 15 HD22 LEU 15 19.099 13.157 12.244 116 HD23 LEU 15 HD23 LEU 15 20.695 13.158 12.996 117 H GLY 16 H GLY 16 18.417 17.245 9.602 118 HA2 GLY 16 HA2 GLY 16 20.641 18.601 8.555 119 HA3 GLY 16 HA3 GLY 16 18.985 19.190 8.525 120 H SER 17 H SER 17 18.391 19.601 11.128 121 HA SER 17 HA SER 17 19.688 22.047 11.675 122 HB2 SER 17 HB2 SER 17 17.630 20.373 13.018 123 HB3 SER 17 HB3 SER 17 18.470 21.559 14.017 124 HG SER 17 HG SER 17 16.714 21.939 11.890 125 H ASN 18 H ASN 18 20.559 18.844 12.361 126 HA ASN 18 HA ASN 18 22.179 19.533 14.682 127 HB2 ASN 18 HB2 ASN 18 20.878 17.208 13.880 128 HB3 ASN 18 HB3 ASN 18 22.582 16.858 13.607 129 HD21 ASN 18 HD21 ASN 18 20.160 16.701 15.805 130 HD22 ASN 18 HD22 ASN 18 21.089 16.640 17.261 131 H VAL 19 H VAL 19 22.626 18.308 11.378 132 HA VAL 19 HA VAL 19 25.398 18.101 11.373 133 HB VAL 19 HB VAL 19 23.632 18.912 9.059 134 HG11 VAL 19 HG11 VAL 19 26.419 17.763 9.135 135 HG12 VAL 19 HG12 VAL 19 25.439 17.928 7.677 136 HG13 VAL 19 HG13 VAL 19 25.947 19.364 8.567 137 HG21 VAL 19 HG21 VAL 19 23.712 16.510 10.537 138 HG22 VAL 19 HG22 VAL 19 22.844 16.835 9.037 139 HG23 VAL 19 HG23 VAL 19 24.484 16.187 8.985 140 H MET 20 H MET 20 23.350 20.912 11.128 141 HA MET 20 HA MET 20 25.440 22.665 10.217 142 HB2 MET 20 HB2 MET 20 23.839 24.362 10.225 143 HB3 MET 20 HB3 MET 20 22.894 22.922 9.869 144 HG2 MET 20 HG2 MET 20 22.364 22.800 12.325 145 HG3 MET 20 HG3 MET 20 23.095 24.396 12.477 146 HE1 MET 20 HE1 MET 20 20.793 26.841 11.087 147 HE2 MET 20 HE2 MET 20 20.952 26.362 12.776 148 HE3 MET 20 HE3 MET 20 22.373 26.395 11.731 149 H GLU 21 H GLU 21 24.035 21.739 13.291 150 HA GLU 21 HA GLU 21 25.265 23.806 14.821 151 HB2 GLU 21 HB2 GLU 21 23.327 22.770 15.740 152 HB3 GLU 21 HB3 GLU 21 24.019 21.164 15.566 153 HG2 GLU 21 HG2 GLU 21 24.976 21.269 17.560 154 HG3 GLU 21 HG3 GLU 21 25.692 22.841 17.208 155 H GLU 22 H GLU 22 26.193 20.576 13.834 156 HA GLU 22 HA GLU 22 28.476 20.448 15.577 157 HB2 GLU 22 HB2 GLU 22 29.022 18.390 14.365 158 HB3 GLU 22 HB3 GLU 22 27.338 18.403 14.871 159 HG2 GLU 22 HG2 GLU 22 26.675 19.067 12.606 160 HG3 GLU 22 HG3 GLU 22 28.364 19.008 12.106 161 H GLN 23 H GLN 23 27.816 21.568 12.357 162 HA GLN 23 HA GLN 23 30.644 21.767 11.692 163 HB2 GLN 23 HB2 GLN 23 28.339 21.397 10.180 164 HB3 GLN 23 HB3 GLN 23 28.811 23.056 9.837 165 HG2 GLN 23 HG2 GLN 23 31.162 22.052 9.451 166 HG3 GLN 23 HG3 GLN 23 30.298 20.523 9.305 167 HE21 GLN 23 HE21 GLN 23 28.330 20.678 7.817 168 HE22 GLN 23 HE22 GLN 23 28.583 21.498 6.318 169 H ASP 24 H ASP 24 28.168 23.669 13.064 170 HA ASP 24 HA ASP 24 29.326 26.217 12.328 171 HB2 ASP 24 HB2 ASP 24 26.890 25.992 12.604 172 HB3 ASP 24 HB3 ASP 24 27.122 25.565 14.297 173 H LEU 25 H LEU 25 29.448 23.978 14.990 174 HA LEU 25 HA LEU 25 30.755 25.871 16.756 175 HB2 LEU 25 HB2 LEU 25 30.866 23.989 18.324 176 HB3 LEU 25 HB3 LEU 25 29.232 24.275 17.728 177 HG LEU 25 HG LEU 25 29.823 22.376 16.034 178 HD11 LEU 25 HD11 LEU 25 31.783 21.379 16.298 179 HD12 LEU 25 HD12 LEU 25 31.318 20.911 17.933 180 HD13 LEU 25 HD13 LEU 25 32.160 22.436 17.659 181 HD21 LEU 25 HD21 LEU 25 28.111 22.341 17.851 182 HD22 LEU 25 HD22 LEU 25 29.346 21.694 18.931 183 HD23 LEU 25 HD23 LEU 25 28.843 20.773 17.512 184 H ARG 26 H ARG 26 31.621 23.465 14.446 185 HA ARG 26 HA ARG 26 34.370 23.320 15.428 186 HB2 ARG 26 HB2 ARG 26 34.682 21.488 13.960 187 HB3 ARG 26 HB3 ARG 26 33.088 21.269 14.669 188 HG2 ARG 26 HG2 ARG 26 32.281 21.058 12.620 189 HG3 ARG 26 HG3 ARG 26 32.668 22.757 12.344 190 HD2 ARG 26 HD2 ARG 26 33.971 21.987 10.692 191 HD3 ARG 26 HD3 ARG 26 35.094 21.568 11.985 192 HE ARG 26 HE ARG 26 33.320 19.441 11.678 193 HH11 ARG 26 HH12 ARG 26 35.814 21.058 9.866 194 HH12 ARG 26 HH11 ARG 26 36.265 19.643 8.973 195 HH21 ARG 26 HH22 ARG 26 33.904 17.571 10.510 196 HH22 ARG 26 HH21 ARG 26 35.177 17.660 9.340 197 H ASP 27 H ASP 27 33.151 25.743 14.187 198 HA ASP 27 HA ASP 27 35.165 26.106 12.075 199 HB2 ASP 27 HB2 ASP 27 32.678 25.864 11.312 200 HB3 ASP 27 HB3 ASP 27 32.519 27.510 11.920 201 H ILE 28 H ILE 28 32.959 27.760 14.318 202 HA ILE 28 HA ILE 28 34.091 30.297 14.215 203 HB ILE 28 HB ILE 28 32.853 28.962 16.625 204 HG12 ILE 28 HG12 ILE 28 31.515 30.776 14.617 205 HG13 ILE 28 HG13 ILE 28 31.482 29.021 14.485 206 HG21 ILE 28 HG21 ILE 28 33.984 30.906 17.358 207 HG22 ILE 28 HG22 ILE 28 33.427 31.840 15.971 208 HG23 ILE 28 HG23 ILE 28 32.283 31.348 17.219 209 HD11 ILE 28 HD11 ILE 28 30.478 30.534 16.879 210 HD12 ILE 28 HD12 ILE 28 29.462 30.034 15.526 211 HD13 ILE 28 HD13 ILE 28 30.268 28.820 16.520 212 H GLY 29 H GLY 29 35.230 27.404 15.756 213 HA2 GLY 29 HA2 GLY 29 37.150 28.825 17.413 214 HA3 GLY 29 HA3 GLY 29 36.938 27.083 17.320 215 H ILE 30 H ILE 30 37.044 27.360 14.291 216 HA ILE 30 HA ILE 30 39.959 27.221 14.124 217 HB ILE 30 HB ILE 30 37.958 26.481 11.991 218 HG12 ILE 30 HG12 ILE 30 39.290 24.676 14.022 219 HG13 ILE 30 HG13 ILE 30 37.603 25.178 14.075 220 HG21 ILE 30 HG21 ILE 30 40.108 26.797 11.047 221 HG22 ILE 30 HG22 ILE 30 40.892 25.939 12.372 222 HG23 ILE 30 HG23 ILE 30 39.891 25.056 11.220 223 HD11 ILE 30 HD11 ILE 30 38.960 23.329 12.160 224 HD12 ILE 30 HD12 ILE 30 37.515 23.066 13.138 225 HD13 ILE 30 HD13 ILE 30 37.448 24.129 11.733 226 H SER 31 H SER 31 37.455 29.379 13.468 227 HA SER 31 HA SER 31 39.065 30.799 11.453 228 HB2 SER 31 HB2 SER 31 36.254 30.234 11.624 229 HB3 SER 31 HB3 SER 31 36.500 31.980 11.644 230 HG SER 31 HG SER 31 36.534 30.433 9.554 231 H ASP 32 H ASP 32 38.530 30.768 14.665 232 HA ASP 32 HA ASP 32 37.891 33.321 15.473 233 HB2 ASP 32 HB2 ASP 32 39.365 31.061 16.610 234 HB3 ASP 32 HB3 ASP 32 39.893 32.621 17.236 235 HA PRO 33 HA PRO 33 41.096 36.033 14.202 236 HB2 PRO 33 HB2 PRO 33 41.224 37.747 16.304 237 HB3 PRO 33 HB3 PRO 33 39.880 37.734 15.155 238 HG2 PRO 33 HG2 PRO 33 40.054 36.507 17.880 239 HG3 PRO 33 HG3 PRO 33 38.717 37.409 17.142 240 HD2 PRO 33 HD2 PRO 33 38.746 34.705 17.286 241 HD3 PRO 33 HD3 PRO 33 37.978 35.582 15.947 242 H GLN 34 H GLN 34 41.419 35.083 17.625 243 HA GLN 34 HA GLN 34 44.107 35.629 17.969 244 HB2 GLN 34 HB2 GLN 34 42.368 33.483 19.177 245 HB3 GLN 34 HB3 GLN 34 44.028 33.757 19.689 246 HG2 GLN 34 HG2 GLN 34 42.690 36.253 19.708 247 HG3 GLN 34 HG3 GLN 34 41.667 35.077 20.531 248 HE21 GLN 34 HE21 GLN 34 43.453 33.445 21.729 249 HE22 GLN 34 HE22 GLN 34 44.385 34.318 22.892 250 H HIS 35 H HIS 35 42.592 33.026 16.246 251 HA HIS 35 HA HIS 35 44.568 31.101 16.183 252 HB2 HIS 35 HB2 HIS 35 42.168 31.463 14.910 253 HB3 HIS 35 HB3 HIS 35 43.307 31.580 13.571 254 HD1 HIS 35 HD1 HIS 35 41.385 29.221 13.686 255 HD2 HIS 35 HD2 HIS 35 45.200 29.156 15.330 256 HE1 HIS 35 HE1 HIS 35 42.020 26.791 13.814 257 H ARG 36 H ARG 36 44.347 34.105 14.359 258 HA ARG 36 HA ARG 36 46.481 33.605 12.582 259 HB2 ARG 36 HB2 ARG 36 45.242 36.164 13.589 260 HB3 ARG 36 HB3 ARG 36 46.527 36.137 12.389 261 HG2 ARG 36 HG2 ARG 36 45.115 34.831 10.892 262 HG3 ARG 36 HG3 ARG 36 43.828 34.834 12.099 263 HD2 ARG 36 HD2 ARG 36 44.794 37.508 11.548 264 HD3 ARG 36 HD3 ARG 36 44.231 36.703 10.083 265 HE ARG 36 HE ARG 36 42.398 36.432 12.261 266 HH11 ARG 36 HH12 ARG 36 43.464 38.552 9.714 267 HH12 ARG 36 HH11 ARG 36 41.954 39.393 9.604 268 HH21 ARG 36 HH22 ARG 36 40.404 37.531 12.125 269 HH22 ARG 36 HH21 ARG 36 40.214 38.812 10.976 270 H ARG 37 H ARG 37 46.337 35.015 15.808 271 HA ARG 37 HA ARG 37 49.067 35.841 15.861 272 HB2 ARG 37 HB2 ARG 37 47.064 35.388 18.078 273 HB3 ARG 37 HB3 ARG 37 48.669 36.062 18.326 274 HG2 ARG 37 HG2 ARG 37 47.687 37.664 16.348 275 HG3 ARG 37 HG3 ARG 37 46.241 37.315 17.298 276 HD2 ARG 37 HD2 ARG 37 47.460 38.013 19.334 277 HD3 ARG 37 HD3 ARG 37 48.841 38.445 18.327 278 HE ARG 37 HE ARG 37 46.467 39.976 18.729 279 HH11 ARG 37 HH12 ARG 37 48.969 39.232 16.425 280 HH12 ARG 37 HH11 ARG 37 48.819 40.737 15.581 281 HH21 ARG 37 HH22 ARG 37 46.261 41.961 17.626 282 HH22 ARG 37 HH21 ARG 37 47.280 42.289 16.265 283 H LYS 38 H LYS 38 47.352 32.912 16.691 284 HA LYS 38 HA LYS 38 49.628 31.731 18.029 285 HB2 LYS 38 HB2 LYS 38 46.822 30.922 17.454 286 HB3 LYS 38 HB3 LYS 38 47.998 29.641 17.714 287 HG2 LYS 38 HG2 LYS 38 47.113 29.997 19.824 288 HG3 LYS 38 HG3 LYS 38 48.614 30.926 19.854 289 HD2 LYS 38 HD2 LYS 38 47.258 32.943 19.213 290 HD3 LYS 38 HD3 LYS 38 45.810 31.966 19.473 291 HE2 LYS 38 HE2 LYS 38 45.901 32.452 21.637 292 HE3 LYS 38 HE3 LYS 38 47.456 31.629 21.741 293 HZ1 LYS 38 HZ1 LYS 38 48.473 33.560 22.022 294 HZ2 LYS 38 HZ2 LYS 38 46.965 34.322 22.101 295 HZ3 LYS 38 HZ3 LYS 38 47.779 34.209 20.622 296 H LEU 39 H LEU 39 48.365 31.915 14.834 297 HA LEU 39 HA LEU 39 49.841 29.592 13.900 298 HB2 LEU 39 HB2 LEU 39 47.541 30.357 13.066 299 HB3 LEU 39 HB3 LEU 39 48.422 31.596 12.176 300 HG LEU 39 HG LEU 39 49.745 29.578 11.200 301 HD11 LEU 39 HD11 LEU 39 49.114 27.595 11.985 302 HD12 LEU 39 HD12 LEU 39 47.627 27.804 11.061 303 HD13 LEU 39 HD13 LEU 39 47.682 28.273 12.760 304 HD21 LEU 39 HD21 LEU 39 48.371 31.010 9.847 305 HD22 LEU 39 HD22 LEU 39 46.901 30.240 10.445 306 HD23 LEU 39 HD23 LEU 39 48.022 29.333 9.428 307 H LEU 40 H LEU 40 50.231 33.004 14.161 308 HA LEU 40 HA LEU 40 52.183 33.320 12.105 309 HB2 LEU 40 HB2 LEU 40 50.826 35.174 13.000 310 HB3 LEU 40 HB3 LEU 40 51.671 35.025 14.539 311 HG LEU 40 HG LEU 40 53.783 35.626 13.374 312 HD11 LEU 40 HD11 LEU 40 51.910 35.822 11.049 313 HD12 LEU 40 HD12 LEU 40 53.501 35.067 11.144 314 HD13 LEU 40 HD13 LEU 40 53.359 36.825 11.126 315 HD21 LEU 40 HD21 LEU 40 53.333 37.681 14.075 316 HD22 LEU 40 HD22 LEU 40 51.616 37.278 14.115 317 HD23 LEU 40 HD23 LEU 40 52.326 37.971 12.656 318 H GLN 41 H GLN 41 52.377 33.001 15.642 319 HA GLN 41 HA GLN 41 55.213 33.061 15.738 320 HB2 GLN 41 HB2 GLN 41 53.130 32.101 17.698 321 HB3 GLN 41 HB3 GLN 41 54.853 32.082 18.051 322 HG2 GLN 41 HG2 GLN 41 53.940 34.660 17.074 323 HG3 GLN 41 HG3 GLN 41 53.109 34.149 18.542 324 HE21 GLN 41 HE21 GLN 41 55.701 35.793 17.400 325 HE22 GLN 41 HE22 GLN 41 56.742 35.696 18.775 326 H ALA 42 H ALA 42 52.894 30.582 15.090 327 HA ALA 42 HA ALA 42 54.767 28.417 15.561 328 HB1 ALA 42 HB1 ALA 42 52.948 26.952 14.883 329 HB2 ALA 42 HB2 ALA 42 52.394 28.114 16.089 330 HB3 ALA 42 HB3 ALA 42 51.990 28.347 14.388 331 H ALA 43 H ALA 43 53.542 30.305 12.900 332 HA ALA 43 HA ALA 43 54.607 28.528 10.880 333 HB1 ALA 43 HB1 ALA 43 53.218 31.187 10.790 334 HB2 ALA 43 HB2 ALA 43 53.945 30.468 9.352 335 HB3 ALA 43 HB3 ALA 43 52.653 29.622 10.204 336 H ARG 44 H ARG 44 55.694 31.216 12.730 337 HA ARG 44 HA ARG 44 57.664 32.214 10.959 338 HB2 ARG 44 HB2 ARG 44 56.652 33.052 13.332 339 HB3 ARG 44 HB3 ARG 44 58.201 32.406 13.857 340 HG2 ARG 44 HG2 ARG 44 59.348 33.855 12.257 341 HG3 ARG 44 HG3 ARG 44 57.792 34.506 11.738 342 HD2 ARG 44 HD2 ARG 44 58.122 36.076 13.296 343 HD3 ARG 44 HD3 ARG 44 57.692 34.822 14.458 344 HE ARG 44 HE ARG 44 60.469 34.774 13.803 345 HH11 ARG 44 HH12 ARG 44 58.070 36.386 15.743 346 HH12 ARG 44 HH11 ARG 44 59.200 36.886 16.958 347 HH21 ARG 44 HH22 ARG 44 61.966 35.426 15.395 348 HH22 ARG 44 HH21 ARG 44 61.416 36.340 16.759 349 HN1 NH2 45 HN1 NH2 45 57.654 29.667 13.408 350 HN2 NH2 45 HN2 NH2 45 59.242 29.062 13.073 Start of MODEL 10 1 H1 ACE 1 H1 ACE 1 4.661 8.301 -4.151 2 H2 ACE 1 H2 ACE 1 3.225 9.341 -4.303 3 H3 ACE 1 H3 ACE 1 4.505 9.756 -3.137 4 H SER 2 H SER 2 4.600 8.765 -1.212 5 HA SER 2 HA SER 2 2.176 7.425 -0.355 6 HB2 SER 2 HB2 SER 2 4.204 5.795 -1.146 7 HB3 SER 2 HB3 SER 2 4.601 6.006 0.559 8 HG SER 2 HG SER 2 2.962 4.797 1.065 9 H LYS 3 H LYS 3 2.481 6.837 2.107 10 HA LYS 3 HA LYS 3 3.360 9.302 3.380 11 HB2 LYS 3 HB2 LYS 3 1.330 7.327 3.880 12 HB3 LYS 3 HB3 LYS 3 2.335 7.514 5.311 13 HG2 LYS 3 HG2 LYS 3 1.745 10.101 4.305 14 HG3 LYS 3 HG3 LYS 3 0.241 9.180 4.391 15 HD2 LYS 3 HD2 LYS 3 2.172 9.201 6.685 16 HD3 LYS 3 HD3 LYS 3 1.003 10.506 6.470 17 HE2 LYS 3 HE2 LYS 3 -0.816 8.854 6.482 18 HE3 LYS 3 HE3 LYS 3 0.364 7.568 6.732 19 HZ1 LYS 3 HZ1 LYS 3 0.619 9.675 8.650 20 HZ2 LYS 3 HZ2 LYS 3 0.459 8.010 8.895 21 HZ3 LYS 3 HZ3 LYS 3 -0.918 8.970 8.685 22 H LEU 4 H LEU 4 4.983 6.731 2.472 23 HA LEU 4 HA LEU 4 6.349 6.143 4.975 24 HB2 LEU 4 HB2 LEU 4 6.409 5.009 2.213 25 HB3 LEU 4 HB3 LEU 4 7.754 4.703 3.310 26 HG LEU 4 HG LEU 4 6.075 3.747 4.927 27 HD11 LEU 4 HD11 LEU 4 3.929 4.125 4.491 28 HD12 LEU 4 HD12 LEU 4 4.068 2.939 3.194 29 HD13 LEU 4 HD13 LEU 4 4.282 4.654 2.845 30 HD21 LEU 4 HD21 LEU 4 7.381 2.170 3.826 31 HD22 LEU 4 HD22 LEU 4 6.670 2.532 2.253 32 HD23 LEU 4 HD23 LEU 4 5.735 1.653 3.463 33 H LEU 5 H LEU 5 6.932 7.746 1.895 34 HA LEU 5 HA LEU 5 9.680 8.186 2.143 35 HB2 LEU 5 HB2 LEU 5 7.460 9.479 0.654 36 HB3 LEU 5 HB3 LEU 5 8.988 10.348 0.770 37 HG LEU 5 HG LEU 5 8.739 9.045 -1.320 38 HD11 LEU 5 HD11 LEU 5 10.944 7.554 -0.396 39 HD12 LEU 5 HD12 LEU 5 10.944 9.078 0.491 40 HD13 LEU 5 HD13 LEU 5 10.953 9.084 -1.273 41 HD21 LEU 5 HD21 LEU 5 7.455 7.177 -0.253 42 HD22 LEU 5 HD22 LEU 5 8.975 6.611 0.439 43 HD23 LEU 5 HD23 LEU 5 8.769 6.663 -1.312 44 H LEU 6 H LEU 6 6.929 10.010 3.384 45 HA LEU 6 HA LEU 6 8.266 12.292 4.265 46 HB2 LEU 6 HB2 LEU 6 5.701 11.027 4.698 47 HB3 LEU 6 HB3 LEU 6 6.296 11.797 6.168 48 HG LEU 6 HG LEU 6 6.311 13.365 3.634 49 HD11 LEU 6 HD11 LEU 6 3.987 14.087 4.106 50 HD12 LEU 6 HD12 LEU 6 3.857 12.778 5.281 51 HD13 LEU 6 HD13 LEU 6 4.109 12.409 3.575 52 HD21 LEU 6 HD21 LEU 6 7.130 14.726 5.234 53 HD22 LEU 6 HD22 LEU 6 6.363 13.829 6.544 54 HD23 LEU 6 HD23 LEU 6 5.423 14.982 5.595 55 H ASN 7 H ASN 7 7.550 9.289 6.037 56 HA ASN 7 HA ASN 7 8.844 10.043 8.424 57 HB2 ASN 7 HB2 ASN 7 7.543 7.694 7.365 58 HB3 ASN 7 HB3 ASN 7 9.014 7.242 8.221 59 HD21 ASN 7 HD21 ASN 7 5.876 7.420 8.647 60 HD22 ASN 7 HD22 ASN 7 5.781 7.881 10.309 61 H GLY 8 H GLY 8 10.020 8.760 5.418 62 HA2 GLY 8 HA2 GLY 8 12.567 7.917 6.473 63 HA3 GLY 8 HA3 GLY 8 12.115 8.002 4.777 64 H PHE 9 H PHE 9 11.264 10.823 5.043 65 HA PHE 9 HA PHE 9 13.894 11.992 4.669 66 HB2 PHE 9 HB2 PHE 9 11.539 12.354 3.360 67 HB3 PHE 9 HB3 PHE 9 11.517 13.729 4.460 68 HD1 PHE 9 HD2 PHE 9 13.878 14.997 4.577 69 HD2 PHE 9 HD1 PHE 9 12.458 12.691 1.294 70 HE1 PHE 9 HE2 PHE 9 15.379 16.229 3.067 71 HE2 PHE 9 HE1 PHE 9 13.958 13.918 -0.221 72 HZ PHE 9 HZ PHE 9 15.421 15.691 0.664 73 H ASP 10 H ASP 10 11.336 11.991 7.003 74 HA ASP 10 HA ASP 10 11.727 14.368 8.351 75 HB2 ASP 10 HB2 ASP 10 10.121 12.263 8.757 76 HB3 ASP 10 HB3 ASP 10 11.313 11.939 10.013 77 H ASP 11 H ASP 11 13.366 11.263 8.941 78 HA ASP 11 HA ASP 11 15.040 12.121 11.002 79 HB2 ASP 11 HB2 ASP 11 14.623 9.737 10.175 80 HB3 ASP 11 HB3 ASP 11 15.840 10.067 8.945 81 H VAL 12 H VAL 12 15.216 12.640 7.582 82 HA VAL 12 HA VAL 12 17.994 13.433 7.600 83 HB VAL 12 HB VAL 12 15.949 13.852 5.418 84 HG11 VAL 12 HG11 VAL 12 18.070 15.192 5.340 85 HG12 VAL 12 HG12 VAL 12 18.947 13.667 5.205 86 HG13 VAL 12 HG13 VAL 12 17.800 14.140 3.951 87 HG21 VAL 12 HG21 VAL 12 17.809 11.531 5.915 88 HG22 VAL 12 HG22 VAL 12 16.045 11.500 5.927 89 HG23 VAL 12 HG23 VAL 12 16.911 11.793 4.419 90 H HIS 13 H HIS 13 14.840 15.033 7.385 91 HA HIS 13 HA HIS 13 15.696 17.643 6.966 92 HB2 HIS 13 HB2 HIS 13 13.255 16.330 7.705 93 HB3 HIS 13 HB3 HIS 13 13.465 17.763 8.706 94 HD1 HIS 13 HD1 HIS 13 12.999 19.988 7.637 95 HD2 HIS 13 HD2 HIS 13 13.186 16.892 4.873 96 HE1 HIS 13 HE1 HIS 13 12.233 20.984 5.459 97 H PHE 14 H PHE 14 15.827 15.684 9.816 98 HA PHE 14 HA PHE 14 16.317 17.939 11.576 99 HB2 PHE 14 HB2 PHE 14 15.049 15.842 12.257 100 HB3 PHE 14 HB3 PHE 14 16.601 15.011 12.251 101 HD1 PHE 14 HD2 PHE 14 15.613 18.396 13.456 102 HD2 PHE 14 HD1 PHE 14 17.170 14.557 14.432 103 HE1 PHE 14 HE2 PHE 14 16.021 19.152 15.761 104 HE2 PHE 14 HE1 PHE 14 17.580 15.307 16.740 105 HZ PHE 14 HZ PHE 14 17.007 17.607 17.406 106 H LEU 15 H LEU 15 18.109 15.247 10.150 107 HA LEU 15 HA LEU 15 20.546 15.636 11.464 108 HB2 LEU 15 HB2 LEU 15 19.584 14.195 9.125 109 HB3 LEU 15 HB3 LEU 15 21.245 14.755 8.945 110 HG LEU 15 HG LEU 15 21.199 12.479 9.772 111 HD11 LEU 15 HD11 LEU 15 22.682 12.727 11.605 112 HD12 LEU 15 HD12 LEU 15 21.994 14.292 12.038 113 HD13 LEU 15 HD13 LEU 15 22.933 14.122 10.555 114 HD21 LEU 15 HD21 LEU 15 20.344 12.294 12.246 115 HD22 LEU 15 HD22 LEU 15 19.231 12.112 10.890 116 HD23 LEU 15 HD23 LEU 15 19.314 13.642 11.764 117 H GLY 16 H GLY 16 19.163 17.203 8.639 118 HA2 GLY 16 HA2 GLY 16 21.487 18.501 7.718 119 HA3 GLY 16 HA3 GLY 16 19.837 19.025 7.417 120 H SER 17 H SER 17 19.114 19.415 10.161 121 HA SER 17 HA SER 17 20.261 22.035 10.524 122 HB2 SER 17 HB2 SER 17 18.594 22.335 12.244 123 HB3 SER 17 HB3 SER 17 17.827 21.541 10.869 124 HG SER 17 HG SER 17 17.944 20.704 13.377 125 H ASN 18 H ASN 18 20.435 18.899 12.087 126 HA ASN 18 HA ASN 18 21.834 19.804 14.402 127 HB2 ASN 18 HB2 ASN 18 20.691 17.374 13.501 128 HB3 ASN 18 HB3 ASN 18 22.389 17.046 13.836 129 HD21 ASN 18 HD21 ASN 18 20.084 16.078 15.251 130 HD22 ASN 18 HD22 ASN 18 20.227 16.635 16.881 131 H VAL 19 H VAL 19 22.798 18.446 11.290 132 HA VAL 19 HA VAL 19 25.544 18.145 11.875 133 HB VAL 19 HB VAL 19 24.154 17.240 9.864 134 HG11 VAL 19 HG11 VAL 19 24.018 18.500 7.940 135 HG12 VAL 19 HG12 VAL 19 23.742 19.726 9.178 136 HG13 VAL 19 HG13 VAL 19 25.329 19.576 8.423 137 HG21 VAL 19 HG21 VAL 19 26.128 16.393 9.293 138 HG22 VAL 19 HG22 VAL 19 26.672 17.954 8.678 139 HG23 VAL 19 HG23 VAL 19 26.892 17.552 10.381 140 H MET 20 H MET 20 23.611 20.891 11.040 141 HA MET 20 HA MET 20 25.873 22.527 10.269 142 HB2 MET 20 HB2 MET 20 23.699 22.868 9.191 143 HB3 MET 20 HB3 MET 20 22.978 23.259 10.747 144 HG2 MET 20 HG2 MET 20 24.862 25.092 10.783 145 HG3 MET 20 HG3 MET 20 24.794 24.868 9.036 146 HE1 MET 20 HE1 MET 20 21.913 25.516 12.070 147 HE2 MET 20 HE2 MET 20 23.530 26.219 12.110 148 HE3 MET 20 HE3 MET 20 22.140 27.226 11.701 149 H GLU 21 H GLU 21 23.817 22.037 13.074 150 HA GLU 21 HA GLU 21 24.725 24.292 14.541 151 HB2 GLU 21 HB2 GLU 21 22.650 23.326 15.189 152 HB3 GLU 21 HB3 GLU 21 23.366 21.729 15.356 153 HG2 GLU 21 HG2 GLU 21 23.921 22.103 17.468 154 HG3 GLU 21 HG3 GLU 21 24.667 23.650 17.073 155 H GLU 22 H GLU 22 25.863 21.001 14.181 156 HA GLU 22 HA GLU 22 27.738 21.160 16.353 157 HB2 GLU 22 HB2 GLU 22 28.485 18.985 15.644 158 HB3 GLU 22 HB3 GLU 22 26.729 19.021 15.580 159 HG2 GLU 22 HG2 GLU 22 26.824 19.371 13.163 160 HG3 GLU 22 HG3 GLU 22 28.585 19.324 13.230 161 H GLN 23 H GLN 23 27.811 21.652 12.881 162 HA GLN 23 HA GLN 23 30.685 21.920 12.797 163 HB2 GLN 23 HB2 GLN 23 28.607 21.514 10.903 164 HB3 GLN 23 HB3 GLN 23 29.436 23.001 10.464 165 HG2 GLN 23 HG2 GLN 23 31.519 21.887 10.275 166 HG3 GLN 23 HG3 GLN 23 30.873 20.421 11.009 167 HE21 GLN 23 HE21 GLN 23 29.524 22.505 8.493 168 HE22 GLN 23 HE22 GLN 23 29.439 21.281 7.277 169 H ASP 24 H ASP 24 27.962 23.961 13.307 170 HA ASP 24 HA ASP 24 29.292 26.411 12.587 171 HB2 ASP 24 HB2 ASP 24 26.833 26.150 12.417 172 HB3 ASP 24 HB3 ASP 24 26.747 26.000 14.170 173 H LEU 25 H LEU 25 28.955 24.453 15.423 174 HA LEU 25 HA LEU 25 29.797 26.545 17.236 175 HB2 LEU 25 HB2 LEU 25 28.582 23.971 17.451 176 HB3 LEU 25 HB3 LEU 25 30.037 23.999 18.444 177 HG LEU 25 HG LEU 25 29.152 26.025 19.583 178 HD11 LEU 25 HD11 LEU 25 27.341 26.020 17.438 179 HD12 LEU 25 HD12 LEU 25 27.386 27.122 18.815 180 HD13 LEU 25 HD13 LEU 25 26.398 25.663 18.886 181 HD21 LEU 25 HD21 LEU 25 27.642 23.433 19.638 182 HD22 LEU 25 HD22 LEU 25 27.240 24.758 20.731 183 HD23 LEU 25 HD23 LEU 25 28.850 24.038 20.772 184 H ARG 26 H ARG 26 31.208 23.849 15.514 185 HA ARG 26 HA ARG 26 33.715 23.994 16.943 186 HB2 ARG 26 HB2 ARG 26 34.455 22.232 15.471 187 HB3 ARG 26 HB3 ARG 26 32.833 21.857 16.036 188 HG2 ARG 26 HG2 ARG 26 32.293 21.515 13.913 189 HG3 ARG 26 HG3 ARG 26 32.418 23.260 13.686 190 HD2 ARG 26 HD2 ARG 26 35.040 22.370 13.566 191 HD3 ARG 26 HD3 ARG 26 34.127 21.129 12.709 192 HE ARG 26 HE ARG 26 33.408 23.770 11.891 193 HH11 ARG 26 HH12 ARG 26 35.753 21.231 11.476 194 HH12 ARG 26 HH11 ARG 26 36.209 21.734 9.882 195 HH21 ARG 26 HH22 ARG 26 34.000 24.443 9.793 196 HH22 ARG 26 HH21 ARG 26 35.212 23.562 8.926 197 H ASP 27 H ASP 27 32.320 25.307 14.047 198 HA ASP 27 HA ASP 27 34.691 25.991 12.684 199 HB2 ASP 27 HB2 ASP 27 32.661 26.040 11.448 200 HB3 ASP 27 HB3 ASP 27 31.897 27.126 12.606 201 H ILE 28 H ILE 28 32.718 27.750 15.039 202 HA ILE 28 HA ILE 28 33.991 30.215 14.948 203 HB ILE 28 HB ILE 28 32.848 28.857 17.392 204 HG12 ILE 28 HG12 ILE 28 31.479 30.842 15.578 205 HG13 ILE 28 HG13 ILE 28 31.347 29.103 15.342 206 HG21 ILE 28 HG21 ILE 28 32.416 31.524 17.704 207 HG22 ILE 28 HG22 ILE 28 33.756 30.631 18.422 208 HG23 ILE 28 HG23 ILE 28 33.992 31.512 16.913 209 HD11 ILE 28 HD11 ILE 28 30.448 30.677 17.740 210 HD12 ILE 28 HD12 ILE 28 29.431 29.877 16.541 211 HD13 ILE 28 HD13 ILE 28 30.429 28.917 17.633 212 H GLY 29 H GLY 29 35.066 27.206 16.301 213 HA2 GLY 29 HA2 GLY 29 37.153 28.425 17.900 214 HA3 GLY 29 HA3 GLY 29 36.875 26.704 17.680 215 H ILE 30 H ILE 30 36.817 27.101 14.707 216 HA ILE 30 HA ILE 30 39.710 26.966 14.338 217 HB ILE 30 HB ILE 30 37.560 26.359 12.310 218 HG12 ILE 30 HG12 ILE 30 39.018 24.438 14.138 219 HG13 ILE 30 HG13 ILE 30 37.344 24.944 14.340 220 HG21 ILE 30 HG21 ILE 30 39.414 24.975 11.319 221 HG22 ILE 30 HG22 ILE 30 39.644 26.721 11.240 222 HG23 ILE 30 HG23 ILE 30 40.508 25.772 12.450 223 HD11 ILE 30 HD11 ILE 30 38.518 23.298 12.122 224 HD12 ILE 30 HD12 ILE 30 37.306 22.822 13.312 225 HD13 ILE 30 HD13 ILE 30 36.899 23.994 12.058 226 H SER 31 H SER 31 37.184 29.170 13.939 227 HA SER 31 HA SER 31 38.687 30.684 11.910 228 HB2 SER 31 HB2 SER 31 35.886 30.136 12.229 229 HB3 SER 31 HB3 SER 31 36.153 31.876 12.326 230 HG SER 31 HG SER 31 37.372 31.647 10.342 231 H ASP 32 H ASP 32 38.351 30.489 15.145 232 HA ASP 32 HA ASP 32 37.798 33.004 16.121 233 HB2 ASP 32 HB2 ASP 32 39.104 30.635 17.082 234 HB3 ASP 32 HB3 ASP 32 40.006 32.052 17.612 235 HA PRO 33 HA PRO 33 40.956 35.744 14.795 236 HB2 PRO 33 HB2 PRO 33 41.234 37.345 16.970 237 HB3 PRO 33 HB3 PRO 33 39.824 37.406 15.907 238 HG2 PRO 33 HG2 PRO 33 40.146 36.038 18.550 239 HG3 PRO 33 HG3 PRO 33 38.779 36.991 17.942 240 HD2 PRO 33 HD2 PRO 33 38.780 34.283 17.946 241 HD3 PRO 33 HD3 PRO 33 37.944 35.236 16.703 242 H GLN 34 H GLN 34 41.472 34.612 18.138 243 HA GLN 34 HA GLN 34 44.183 35.112 18.347 244 HB2 GLN 34 HB2 GLN 34 42.493 32.920 19.542 245 HB3 GLN 34 HB3 GLN 34 44.184 33.152 19.967 246 HG2 GLN 34 HG2 GLN 34 43.769 35.210 20.986 247 HG3 GLN 34 HG3 GLN 34 42.194 35.376 20.211 248 HE21 GLN 34 HE21 GLN 34 41.786 35.862 22.591 249 HE22 GLN 34 HE22 GLN 34 41.276 34.526 23.561 250 H HIS 35 H HIS 35 42.534 32.617 16.585 251 HA HIS 35 HA HIS 35 44.477 30.681 16.300 252 HB2 HIS 35 HB2 HIS 35 42.011 31.117 15.205 253 HB3 HIS 35 HB3 HIS 35 43.056 31.326 13.804 254 HD1 HIS 35 HD1 HIS 35 41.157 28.966 13.848 255 HD2 HIS 35 HD2 HIS 35 45.043 28.790 15.308 256 HE1 HIS 35 HE1 HIS 35 41.791 26.533 13.781 257 H ARG 36 H ARG 36 44.208 33.796 14.694 258 HA ARG 36 HA ARG 36 46.203 33.378 12.742 259 HB2 ARG 36 HB2 ARG 36 44.984 35.829 13.980 260 HB3 ARG 36 HB3 ARG 36 46.323 35.966 12.848 261 HG2 ARG 36 HG2 ARG 36 44.789 34.435 11.359 262 HG3 ARG 36 HG3 ARG 36 43.517 35.113 12.376 263 HD2 ARG 36 HD2 ARG 36 45.165 37.264 11.638 264 HD3 ARG 36 HD3 ARG 36 44.923 36.308 10.177 265 HE ARG 36 HE ARG 36 42.466 36.711 11.525 266 HH11 ARG 36 HH12 ARG 36 44.814 38.347 9.543 267 HH12 ARG 36 HH11 ARG 36 43.669 39.464 8.880 268 HH21 ARG 36 HH22 ARG 36 40.948 38.176 10.658 269 HH22 ARG 36 HH21 ARG 36 41.470 39.367 9.515 270 H ARG 37 H ARG 37 46.315 34.596 16.052 271 HA ARG 37 HA ARG 37 49.064 35.341 15.973 272 HB2 ARG 37 HB2 ARG 37 47.219 34.773 18.299 273 HB3 ARG 37 HB3 ARG 37 48.845 35.424 18.460 274 HG2 ARG 37 HG2 ARG 37 48.056 37.308 16.932 275 HG3 ARG 37 HG3 ARG 37 46.425 36.717 17.256 276 HD2 ARG 37 HD2 ARG 37 46.447 37.432 19.408 277 HD3 ARG 37 HD3 ARG 37 48.172 37.125 19.604 278 HE ARG 37 HE ARG 37 48.585 39.292 19.004 279 HH11 ARG 37 HH12 ARG 37 45.345 38.450 18.049 280 HH12 ARG 37 HH11 ARG 37 44.925 40.064 17.578 281 HH21 ARG 37 HH22 ARG 37 48.045 41.420 18.387 282 HH22 ARG 37 HH21 ARG 37 46.462 41.752 17.770 283 H LYS 38 H LYS 38 47.330 32.403 16.731 284 HA LYS 38 HA LYS 38 49.656 31.083 17.829 285 HB2 LYS 38 HB2 LYS 38 46.888 30.090 17.135 286 HB3 LYS 38 HB3 LYS 38 48.144 29.070 17.825 287 HG2 LYS 38 HG2 LYS 38 48.242 30.682 19.753 288 HG3 LYS 38 HG3 LYS 38 46.792 31.438 19.089 289 HD2 LYS 38 HD2 LYS 38 45.956 28.911 19.093 290 HD3 LYS 38 HD3 LYS 38 47.136 28.797 20.400 291 HE2 LYS 38 HE2 LYS 38 46.000 30.858 21.379 292 HE3 LYS 38 HE3 LYS 38 44.705 30.557 20.221 293 HZ1 LYS 38 HZ1 LYS 38 44.221 29.559 22.364 294 HZ2 LYS 38 HZ2 LYS 38 45.647 28.651 22.295 295 HZ3 LYS 38 HZ3 LYS 38 44.405 28.360 21.184 296 H LEU 39 H LEU 39 48.191 31.508 14.744 297 HA LEU 39 HA LEU 39 49.548 29.226 13.562 298 HB2 LEU 39 HB2 LEU 39 47.215 30.093 12.938 299 HB3 LEU 39 HB3 LEU 39 48.068 31.367 12.068 300 HG LEU 39 HG LEU 39 49.272 29.370 10.894 301 HD11 LEU 39 HD11 LEU 39 47.249 27.611 10.674 302 HD12 LEU 39 HD12 LEU 39 47.075 28.074 12.366 303 HD13 LEU 39 HD13 LEU 39 48.603 27.413 11.786 304 HD21 LEU 39 HD21 LEU 39 46.422 29.657 10.083 305 HD22 LEU 39 HD22 LEU 39 47.885 29.688 9.099 306 HD23 LEU 39 HD23 LEU 39 47.454 31.087 10.083 307 H LEU 40 H LEU 40 50.034 32.603 14.021 308 HA LEU 40 HA LEU 40 51.857 33.015 11.864 309 HB2 LEU 40 HB2 LEU 40 50.641 34.573 13.913 310 HB3 LEU 40 HB3 LEU 40 52.383 34.835 13.974 311 HG LEU 40 HG LEU 40 51.283 36.524 12.610 312 HD11 LEU 40 HD11 LEU 40 53.045 36.596 11.255 313 HD12 LEU 40 HD12 LEU 40 52.564 35.115 10.426 314 HD13 LEU 40 HD13 LEU 40 53.503 35.027 11.917 315 HD21 LEU 40 HD21 LEU 40 50.328 35.764 10.389 316 HD22 LEU 40 HD22 LEU 40 49.342 35.446 11.816 317 HD23 LEU 40 HD23 LEU 40 50.273 34.141 11.079 318 H GLN 41 H GLN 41 52.257 32.447 15.350 319 HA GLN 41 HA GLN 41 55.096 32.463 15.275 320 HB2 GLN 41 HB2 GLN 41 53.113 31.415 17.291 321 HB3 GLN 41 HB3 GLN 41 54.852 31.326 17.536 322 HG2 GLN 41 HG2 GLN 41 55.062 33.676 17.596 323 HG3 GLN 41 HG3 GLN 41 53.424 33.909 16.990 324 HE21 GLN 41 HE21 GLN 41 54.333 35.158 19.275 325 HE22 GLN 41 HE22 GLN 41 53.494 34.522 20.644 326 H ALA 42 H ALA 42 52.694 30.069 14.609 327 HA ALA 42 HA ALA 42 54.553 27.850 14.815 328 HB1 ALA 42 HB1 ALA 42 52.127 27.674 15.436 329 HB2 ALA 42 HB2 ALA 42 51.750 27.793 13.716 330 HB3 ALA 42 HB3 ALA 42 52.706 26.438 14.318 331 H ALA 43 H ALA 43 53.215 29.943 12.376 332 HA ALA 43 HA ALA 43 54.121 28.285 10.179 333 HB1 ALA 43 HB1 ALA 43 52.046 29.579 9.982 334 HB2 ALA 43 HB2 ALA 43 52.970 31.073 10.142 335 HB3 ALA 43 HB3 ALA 43 53.221 30.026 8.745 336 H ARG 44 H ARG 44 55.307 30.900 12.095 337 HA ARG 44 HA ARG 44 57.191 31.948 10.251 338 HB2 ARG 44 HB2 ARG 44 56.786 32.130 13.208 339 HB3 ARG 44 HB3 ARG 44 58.308 32.683 12.522 340 HG2 ARG 44 HG2 ARG 44 56.300 33.808 10.928 341 HG3 ARG 44 HG3 ARG 44 55.762 33.994 12.598 342 HD2 ARG 44 HD2 ARG 44 57.025 35.891 12.347 343 HD3 ARG 44 HD3 ARG 44 58.236 34.775 12.978 344 HE ARG 44 HE ARG 44 58.245 34.637 10.176 345 HH11 ARG 44 HH12 ARG 44 59.071 36.832 12.748 346 HH12 ARG 44 HH11 ARG 44 60.313 37.632 11.843 347 HH21 ARG 44 HH22 ARG 44 59.878 35.681 8.974 348 HH22 ARG 44 HH21 ARG 44 60.770 36.977 9.696 349 HN1 NH2 45 HN1 NH2 45 57.266 29.333 12.617 350 HN2 NH2 45 HN2 NH2 45 58.850 28.752 12.226 Start of MODEL 11 1 H1 ACE 1 H1 ACE 1 10.581 2.119 -0.560 2 H2 ACE 1 H2 ACE 1 8.815 2.137 -0.345 3 H3 ACE 1 H3 ACE 1 9.523 1.477 -1.839 4 H SER 2 H SER 2 7.596 3.653 -1.333 5 HA SER 2 HA SER 2 9.051 5.789 -2.749 6 HB2 SER 2 HB2 SER 2 6.244 4.748 -3.037 7 HB3 SER 2 HB3 SER 2 6.660 6.378 -3.567 8 HG SER 2 HG SER 2 6.955 4.211 -4.942 9 H LYS 3 H LYS 3 5.893 5.663 -1.123 10 HA LYS 3 HA LYS 3 5.944 8.258 -0.148 11 HB2 LYS 3 HB2 LYS 3 4.395 5.815 0.408 12 HB3 LYS 3 HB3 LYS 3 4.432 6.976 1.728 13 HG2 LYS 3 HG2 LYS 3 3.901 8.203 -0.860 14 HG3 LYS 3 HG3 LYS 3 2.694 7.004 -0.388 15 HD2 LYS 3 HD2 LYS 3 2.119 8.171 1.550 16 HD3 LYS 3 HD3 LYS 3 3.613 9.112 1.537 17 HE2 LYS 3 HE2 LYS 3 2.406 10.739 0.600 18 HE3 LYS 3 HE3 LYS 3 2.441 9.763 -0.867 19 HZ1 LYS 3 HZ1 LYS 3 0.274 10.137 1.066 20 HZ2 LYS 3 HZ2 LYS 3 0.387 8.641 0.284 21 HZ3 LYS 3 HZ3 LYS 3 0.211 10.058 -0.623 22 H LEU 4 H LEU 4 7.272 5.315 1.226 23 HA LEU 4 HA LEU 4 7.761 6.174 3.829 24 HB2 LEU 4 HB2 LEU 4 8.621 4.025 2.104 25 HB3 LEU 4 HB3 LEU 4 9.943 4.582 3.128 26 HG LEU 4 HG LEU 4 8.676 2.661 4.061 27 HD11 LEU 4 HD11 LEU 4 8.024 4.308 6.200 28 HD12 LEU 4 HD12 LEU 4 9.325 5.155 5.364 29 HD13 LEU 4 HD13 LEU 4 9.565 3.498 5.916 30 HD21 LEU 4 HD21 LEU 4 6.456 3.892 3.171 31 HD22 LEU 4 HD22 LEU 4 6.435 4.404 4.859 32 HD23 LEU 4 HD23 LEU 4 6.455 2.686 4.458 33 H LEU 5 H LEU 5 9.355 6.978 0.859 34 HA LEU 5 HA LEU 5 11.850 7.803 1.748 35 HB2 LEU 5 HB2 LEU 5 10.825 7.700 -0.634 36 HB3 LEU 5 HB3 LEU 5 10.343 9.365 -0.313 37 HG LEU 5 HG LEU 5 13.055 9.278 0.318 38 HD11 LEU 5 HD11 LEU 5 13.740 7.395 -0.740 39 HD12 LEU 5 HD12 LEU 5 13.747 8.482 -2.128 40 HD13 LEU 5 HD13 LEU 5 12.382 7.397 -1.865 41 HD21 LEU 5 HD21 LEU 5 11.302 10.453 -1.730 42 HD22 LEU 5 HD22 LEU 5 13.012 10.368 -2.155 43 HD23 LEU 5 HD23 LEU 5 12.507 11.213 -0.691 44 H LEU 6 H LEU 6 8.740 9.279 2.167 45 HA LEU 6 HA LEU 6 9.739 11.874 2.876 46 HB2 LEU 6 HB2 LEU 6 7.180 10.619 2.476 47 HB3 LEU 6 HB3 LEU 6 7.182 11.552 3.972 48 HG LEU 6 HG LEU 6 8.284 12.966 1.644 49 HD11 LEU 6 HD11 LEU 6 6.443 13.098 0.328 50 HD12 LEU 6 HD12 LEU 6 5.327 12.814 1.663 51 HD13 LEU 6 HD13 LEU 6 6.203 11.463 0.944 52 HD21 LEU 6 HD21 LEU 6 6.392 14.551 2.655 53 HD22 LEU 6 HD22 LEU 6 7.995 14.401 3.376 54 HD23 LEU 6 HD23 LEU 6 6.637 13.496 4.047 55 H ASN 7 H ASN 7 8.557 9.045 4.650 56 HA ASN 7 HA ASN 7 8.597 10.093 7.224 57 HB2 ASN 7 HB2 ASN 7 9.137 7.284 6.246 58 HB3 ASN 7 HB3 ASN 7 8.966 7.702 7.949 59 HD21 ASN 7 HD21 ASN 7 6.940 8.584 8.653 60 HD22 ASN 7 HD22 ASN 7 5.485 8.171 7.818 61 H GLY 8 H GLY 8 11.216 9.079 5.170 62 HA2 GLY 8 HA2 GLY 8 13.142 9.113 7.356 63 HA3 GLY 8 HA3 GLY 8 13.479 8.727 5.675 64 H PHE 9 H PHE 9 12.283 11.061 4.542 65 HA PHE 9 HA PHE 9 14.481 12.842 4.734 66 HB2 PHE 9 HB2 PHE 9 13.090 12.533 2.688 67 HB3 PHE 9 HB3 PHE 9 11.768 13.363 3.504 68 HD1 PHE 9 HD1 PHE 9 15.366 13.872 2.663 69 HD2 PHE 9 HD2 PHE 9 11.512 15.615 3.142 70 HE1 PHE 9 HE1 PHE 9 16.250 16.032 1.885 71 HE2 PHE 9 HE2 PHE 9 12.390 17.778 2.364 72 HZ PHE 9 HZ PHE 9 14.762 17.988 1.734 73 H ASP 10 H ASP 10 11.652 12.481 6.576 74 HA ASP 10 HA ASP 10 11.426 15.230 7.407 75 HB2 ASP 10 HB2 ASP 10 9.897 12.803 7.715 76 HB3 ASP 10 HB3 ASP 10 10.106 13.594 9.275 77 H ASP 11 H ASP 11 13.171 12.424 8.414 78 HA ASP 11 HA ASP 11 13.787 13.529 11.034 79 HB2 ASP 11 HB2 ASP 11 13.985 10.910 9.745 80 HB3 ASP 11 HB3 ASP 11 15.409 11.318 10.698 81 H VAL 12 H VAL 12 15.285 13.067 7.901 82 HA VAL 12 HA VAL 12 17.930 13.749 8.737 83 HB VAL 12 HB VAL 12 17.352 12.427 6.665 84 HG11 VAL 12 HG11 VAL 12 16.841 15.133 5.446 85 HG12 VAL 12 HG12 VAL 12 16.704 13.554 4.670 86 HG13 VAL 12 HG13 VAL 12 15.560 14.022 5.929 87 HG21 VAL 12 HG21 VAL 12 19.584 13.444 7.142 88 HG22 VAL 12 HG22 VAL 12 19.235 13.233 5.426 89 HG23 VAL 12 HG23 VAL 12 19.102 14.830 6.163 90 H HIS 13 H HIS 13 15.137 15.536 7.680 91 HA HIS 13 HA HIS 13 16.432 17.941 6.957 92 HB2 HIS 13 HB2 HIS 13 13.848 17.015 6.862 93 HB3 HIS 13 HB3 HIS 13 13.755 18.238 8.126 94 HD1 HIS 13 HD1 HIS 13 13.455 20.572 7.344 95 HD2 HIS 13 HD2 HIS 13 14.985 18.117 4.362 96 HE1 HIS 13 HE1 HIS 13 13.533 21.997 5.273 97 H PHE 14 H PHE 14 15.619 16.531 10.006 98 HA PHE 14 HA PHE 14 15.843 19.002 11.485 99 HB2 PHE 14 HB2 PHE 14 14.329 17.355 12.358 100 HB3 PHE 14 HB3 PHE 14 15.582 16.119 12.349 101 HD1 PHE 14 HD1 PHE 14 15.610 19.627 13.600 102 HD2 PHE 14 HD2 PHE 14 15.938 15.488 14.536 103 HE1 PHE 14 HE1 PHE 14 16.186 20.201 15.922 104 HE2 PHE 14 HE2 PHE 14 16.513 16.055 16.860 105 HZ PHE 14 HZ PHE 14 16.637 18.414 17.556 106 H LEU 15 H LEU 15 17.837 16.180 10.809 107 HA LEU 15 HA LEU 15 19.898 16.590 12.622 108 HB2 LEU 15 HB2 LEU 15 19.913 14.575 11.434 109 HB3 LEU 15 HB3 LEU 15 19.813 15.392 9.875 110 HG LEU 15 HG LEU 15 22.128 16.121 10.093 111 HD11 LEU 15 HD11 LEU 15 23.525 15.459 11.916 112 HD12 LEU 15 HD12 LEU 15 22.223 14.514 12.639 113 HD13 LEU 15 HD13 LEU 15 22.108 16.273 12.580 114 HD21 LEU 15 HD21 LEU 15 23.188 13.992 9.786 115 HD22 LEU 15 HD22 LEU 15 21.571 13.918 9.086 116 HD23 LEU 15 HD23 LEU 15 21.890 13.168 10.651 117 H GLY 16 H GLY 16 19.287 18.117 9.511 118 HA2 GLY 16 HA2 GLY 16 21.734 19.350 9.060 119 HA3 GLY 16 HA3 GLY 16 20.183 20.001 8.553 120 H SER 17 H SER 17 18.909 20.994 10.484 121 HA SER 17 HA SER 17 20.212 23.280 11.315 122 HB2 SER 17 HB2 SER 17 17.656 22.044 11.783 123 HB3 SER 17 HB3 SER 17 18.262 22.736 13.287 124 HG SER 17 HG SER 17 17.170 24.002 11.238 125 H ASN 18 H ASN 18 20.034 20.144 12.872 126 HA ASN 18 HA ASN 18 21.059 20.933 15.390 127 HB2 ASN 18 HB2 ASN 18 20.029 18.604 14.330 128 HB3 ASN 18 HB3 ASN 18 21.727 18.202 14.569 129 HD21 ASN 18 HD21 ASN 18 18.857 17.926 15.956 130 HD22 ASN 18 HD22 ASN 18 19.291 17.989 17.627 131 H VAL 19 H VAL 19 22.630 19.384 12.591 132 HA VAL 19 HA VAL 19 25.210 19.227 13.548 133 HB VAL 19 HB VAL 19 24.385 19.891 10.718 134 HG11 VAL 19 HG11 VAL 19 26.981 19.196 11.977 135 HG12 VAL 19 HG12 VAL 19 26.622 18.502 10.394 136 HG13 VAL 19 HG13 VAL 19 26.632 20.253 10.609 137 HG21 VAL 19 HG21 VAL 19 23.958 17.564 12.284 138 HG22 VAL 19 HG22 VAL 19 23.593 17.821 10.578 139 HG23 VAL 19 HG23 VAL 19 25.165 17.181 11.058 140 H MET 20 H MET 20 23.466 22.023 12.391 141 HA MET 20 HA MET 20 25.772 23.711 12.170 142 HB2 MET 20 HB2 MET 20 23.746 24.141 10.858 143 HB3 MET 20 HB3 MET 20 22.836 24.417 12.337 144 HG2 MET 20 HG2 MET 20 24.606 26.256 12.782 145 HG3 MET 20 HG3 MET 20 24.920 26.123 11.053 146 HE1 MET 20 HE1 MET 20 23.506 27.766 13.636 147 HE2 MET 20 HE2 MET 20 22.425 28.941 12.886 148 HE3 MET 20 HE3 MET 20 21.767 27.471 13.607 149 H GLU 21 H GLU 21 23.388 23.000 14.647 150 HA GLU 21 HA GLU 21 24.107 25.132 16.390 151 HB2 GLU 21 HB2 GLU 21 21.964 24.210 16.731 152 HB3 GLU 21 HB3 GLU 21 22.584 22.565 16.760 153 HG2 GLU 21 HG2 GLU 21 23.033 22.643 18.944 154 HG3 GLU 21 HG3 GLU 21 23.689 24.277 18.850 155 H GLU 22 H GLU 22 25.276 21.879 15.888 156 HA GLU 22 HA GLU 22 26.842 21.825 18.305 157 HB2 GLU 22 HB2 GLU 22 27.086 20.006 15.908 158 HB3 GLU 22 HB3 GLU 22 27.635 19.688 17.548 159 HG2 GLU 22 HG2 GLU 22 24.745 20.103 16.847 160 HG3 GLU 22 HG3 GLU 22 25.523 18.521 16.832 161 H GLN 23 H GLN 23 27.327 22.677 14.956 162 HA GLN 23 HA GLN 23 30.208 22.858 15.253 163 HB2 GLN 23 HB2 GLN 23 28.389 22.618 13.074 164 HB3 GLN 23 HB3 GLN 23 29.310 24.099 12.849 165 HG2 GLN 23 HG2 GLN 23 31.286 22.999 12.577 166 HG3 GLN 23 HG3 GLN 23 30.791 21.633 13.575 167 HE21 GLN 23 HE21 GLN 23 29.199 23.122 10.792 168 HE22 GLN 23 HE22 GLN 23 29.204 21.703 9.806 169 H ASP 24 H ASP 24 27.443 24.893 15.516 170 HA ASP 24 HA ASP 24 28.840 27.373 15.123 171 HB2 ASP 24 HB2 ASP 24 26.423 27.157 14.671 172 HB3 ASP 24 HB3 ASP 24 26.138 26.852 16.382 173 H LEU 25 H LEU 25 28.051 25.307 17.825 174 HA LEU 25 HA LEU 25 28.723 27.251 19.831 175 HB2 LEU 25 HB2 LEU 25 28.198 25.627 21.397 176 HB3 LEU 25 HB3 LEU 25 27.142 25.240 20.040 177 HG LEU 25 HG LEU 25 29.160 23.609 19.444 178 HD11 LEU 25 HD11 LEU 25 29.437 24.204 22.358 179 HD12 LEU 25 HD12 LEU 25 30.686 23.980 21.133 180 HD13 LEU 25 HD13 LEU 25 29.793 22.588 21.745 181 HD21 LEU 25 HD21 LEU 25 26.662 23.212 20.062 182 HD22 LEU 25 HD22 LEU 25 27.318 22.733 21.628 183 HD23 LEU 25 HD23 LEU 25 27.814 21.880 20.165 184 H ARG 26 H ARG 26 30.470 25.109 17.836 185 HA ARG 26 HA ARG 26 32.809 25.194 19.611 186 HB2 ARG 26 HB2 ARG 26 33.661 23.322 18.488 187 HB3 ARG 26 HB3 ARG 26 31.936 22.999 18.605 188 HG2 ARG 26 HG2 ARG 26 31.639 23.751 16.297 189 HG3 ARG 26 HG3 ARG 26 33.373 24.061 16.182 190 HD2 ARG 26 HD2 ARG 26 33.783 21.667 16.679 191 HD3 ARG 26 HD3 ARG 26 32.041 21.397 16.650 192 HE ARG 26 HE ARG 26 32.743 22.612 14.246 193 HH11 ARG 26 HH12 ARG 26 33.335 19.628 15.938 194 HH12 ARG 26 HH11 ARG 26 33.542 18.697 14.491 195 HH21 ARG 26 HH22 ARG 26 33.013 21.398 12.334 196 HH22 ARG 26 HH21 ARG 26 33.359 19.705 12.442 197 H ASP 27 H ASP 27 31.614 26.169 16.474 198 HA ASP 27 HA ASP 27 33.934 26.873 15.161 199 HB2 ASP 27 HB2 ASP 27 31.788 27.006 14.058 200 HB3 ASP 27 HB3 ASP 27 31.253 28.272 15.160 201 H ILE 28 H ILE 28 32.239 28.589 17.717 202 HA ILE 28 HA ILE 28 33.441 31.071 17.595 203 HB ILE 28 HB ILE 28 32.736 29.531 20.096 204 HG12 ILE 28 HG12 ILE 28 31.066 31.621 18.708 205 HG13 ILE 28 HG13 ILE 28 30.933 29.912 18.307 206 HG21 ILE 28 HG21 ILE 28 33.702 32.273 19.616 207 HG22 ILE 28 HG22 ILE 28 32.337 32.120 20.721 208 HG23 ILE 28 HG23 ILE 28 33.837 31.254 21.049 209 HD11 ILE 28 HD11 ILE 28 29.288 30.905 19.997 210 HD12 ILE 28 HD12 ILE 28 30.063 29.370 20.391 211 HD13 ILE 28 HD13 ILE 28 30.641 30.864 21.127 212 H GLY 29 H GLY 29 34.795 28.031 18.589 213 HA2 GLY 29 HA2 GLY 29 37.182 29.367 19.658 214 HA3 GLY 29 HA3 GLY 29 36.781 27.667 19.855 215 H ILE 30 H ILE 30 36.064 27.837 16.826 216 HA ILE 30 HA ILE 30 38.790 27.217 15.939 217 HB ILE 30 HB ILE 30 36.262 26.605 14.425 218 HG12 ILE 30 HG12 ILE 30 37.664 24.875 16.474 219 HG13 ILE 30 HG13 ILE 30 36.072 25.602 16.655 220 HG21 ILE 30 HG21 ILE 30 37.644 25.750 12.915 221 HG22 ILE 30 HG22 ILE 30 39.014 26.307 13.876 222 HG23 ILE 30 HG23 ILE 30 38.355 24.691 14.133 223 HD11 ILE 30 HD11 ILE 30 36.923 23.284 15.005 224 HD12 ILE 30 HD12 ILE 30 35.512 23.478 16.044 225 HD13 ILE 30 HD13 ILE 30 35.558 24.262 14.466 226 H SER 31 H SER 31 36.870 29.819 15.976 227 HA SER 31 HA SER 31 37.862 30.778 13.373 228 HB2 SER 31 HB2 SER 31 35.158 30.654 14.328 229 HB3 SER 31 HB3 SER 31 35.622 32.343 14.121 230 HG SER 31 HG SER 31 35.472 32.055 12.056 231 H ASP 32 H ASP 32 38.264 31.015 16.585 232 HA ASP 32 HA ASP 32 38.195 33.671 17.300 233 HB2 ASP 32 HB2 ASP 32 39.461 31.287 18.268 234 HB3 ASP 32 HB3 ASP 32 40.602 32.625 18.368 235 HA PRO 33 HA PRO 33 41.176 35.837 14.919 236 HB2 PRO 33 HB2 PRO 33 42.084 37.653 16.720 237 HB3 PRO 33 HB3 PRO 33 40.476 37.744 15.991 238 HG2 PRO 33 HG2 PRO 33 41.282 36.689 18.674 239 HG3 PRO 33 HG3 PRO 33 39.898 37.711 18.243 240 HD2 PRO 33 HD2 PRO 33 39.670 35.043 18.647 241 HD3 PRO 33 HD3 PRO 33 38.654 35.924 17.488 242 H GLN 34 H GLN 34 42.156 34.380 17.935 243 HA GLN 34 HA GLN 34 44.972 34.776 17.508 244 HB2 GLN 34 HB2 GLN 34 43.534 32.939 19.431 245 HB3 GLN 34 HB3 GLN 34 45.251 33.320 19.468 246 HG2 GLN 34 HG2 GLN 34 44.585 35.732 19.769 247 HG3 GLN 34 HG3 GLN 34 42.939 35.153 20.022 248 HE21 GLN 34 HE21 GLN 34 42.507 33.831 21.838 249 HE22 GLN 34 HE22 GLN 34 43.530 33.871 23.229 250 H HIS 35 H HIS 35 42.779 32.863 16.002 251 HA HIS 35 HA HIS 35 44.334 30.440 15.818 252 HB2 HIS 35 HB2 HIS 35 41.671 31.068 15.407 253 HB3 HIS 35 HB3 HIS 35 42.279 30.809 13.775 254 HD1 HIS 35 HD1 HIS 35 40.257 28.848 14.895 255 HD2 HIS 35 HD2 HIS 35 44.364 28.354 15.277 256 HE1 HIS 35 HE1 HIS 35 40.607 26.385 15.261 257 H ARG 36 H ARG 36 43.541 33.158 13.678 258 HA ARG 36 HA ARG 36 44.993 32.220 11.445 259 HB2 ARG 36 HB2 ARG 36 44.906 34.635 10.716 260 HB3 ARG 36 HB3 ARG 36 43.350 33.899 11.078 261 HG2 ARG 36 HG2 ARG 36 43.134 35.077 13.091 262 HG3 ARG 36 HG3 ARG 36 44.842 35.521 13.110 263 HD2 ARG 36 HD2 ARG 36 44.271 37.444 12.153 264 HD3 ARG 36 HD3 ARG 36 43.856 36.528 10.705 265 HE ARG 36 HE ARG 36 42.032 37.696 12.609 266 HH11 ARG 36 HH12 ARG 36 42.460 35.327 10.094 267 HH12 ARG 36 HH11 ARG 36 40.774 35.243 9.706 268 HH21 ARG 36 HH22 ARG 36 39.809 37.595 12.106 269 HH22 ARG 36 HH21 ARG 36 39.267 36.535 10.850 270 H ARG 37 H ARG 37 45.892 34.114 14.257 271 HA ARG 37 HA ARG 37 48.490 34.805 13.234 272 HB2 ARG 37 HB2 ARG 37 48.856 35.893 15.307 273 HB3 ARG 37 HB3 ARG 37 47.161 36.157 14.918 274 HG2 ARG 37 HG2 ARG 37 46.771 35.489 17.008 275 HG3 ARG 37 HG3 ARG 37 47.056 33.860 16.391 276 HD2 ARG 37 HD2 ARG 37 48.653 33.733 17.951 277 HD3 ARG 37 HD3 ARG 37 49.596 34.766 16.879 278 HE ARG 37 HE ARG 37 48.128 36.510 18.370 279 HH11 ARG 37 HH12 ARG 37 50.330 33.915 19.099 280 HH12 ARG 37 HH11 ARG 37 50.884 34.626 20.579 281 HH21 ARG 37 HH22 ARG 37 48.848 37.456 20.316 282 HH22 ARG 37 HH21 ARG 37 50.039 36.640 21.271 283 H LYS 38 H LYS 38 47.099 32.177 14.988 284 HA LYS 38 HA LYS 38 49.678 31.187 15.904 285 HB2 LYS 38 HB2 LYS 38 46.827 30.368 16.317 286 HB3 LYS 38 HB3 LYS 38 48.112 29.210 16.632 287 HG2 LYS 38 HG2 LYS 38 49.132 30.847 18.192 288 HG3 LYS 38 HG3 LYS 38 47.732 31.893 17.944 289 HD2 LYS 38 HD2 LYS 38 46.463 29.624 18.573 290 HD3 LYS 38 HD3 LYS 38 47.971 29.352 19.449 291 HE2 LYS 38 HE2 LYS 38 47.570 31.803 20.281 292 HE3 LYS 38 HE3 LYS 38 45.898 31.464 19.838 293 HZ1 LYS 38 HZ1 LYS 38 45.694 29.874 21.452 294 HZ2 LYS 38 HZ2 LYS 38 46.753 30.945 22.221 295 HZ3 LYS 38 HZ3 LYS 38 47.351 29.533 21.506 296 H LEU 39 H LEU 39 47.522 30.799 13.257 297 HA LEU 39 HA LEU 39 48.664 28.239 12.463 298 HB2 LEU 39 HB2 LEU 39 46.183 29.076 12.226 299 HB3 LEU 39 HB3 LEU 39 46.798 29.802 10.742 300 HG LEU 39 HG LEU 39 47.640 27.409 10.209 301 HD11 LEU 39 HD11 LEU 39 45.390 26.224 11.544 302 HD12 LEU 39 HD12 LEU 39 46.493 26.942 12.717 303 HD13 LEU 39 HD13 LEU 39 47.087 25.745 11.566 304 HD21 LEU 39 HD21 LEU 39 45.706 27.008 8.966 305 HD22 LEU 39 HD22 LEU 39 45.721 28.759 9.174 306 HD23 LEU 39 HD23 LEU 39 44.661 27.761 10.171 307 H LEU 40 H LEU 40 49.051 31.600 11.844 308 HA LEU 40 HA LEU 40 50.189 31.436 9.252 309 HB2 LEU 40 HB2 LEU 40 49.562 33.456 11.125 310 HB3 LEU 40 HB3 LEU 40 51.269 33.632 10.726 311 HG LEU 40 HG LEU 40 49.989 35.062 9.294 312 HD11 LEU 40 HD11 LEU 40 51.928 33.709 8.372 313 HD12 LEU 40 HD12 LEU 40 50.812 34.399 7.195 314 HD13 LEU 40 HD13 LEU 40 50.713 32.686 7.605 315 HD21 LEU 40 HD21 LEU 40 48.410 32.583 8.626 316 HD22 LEU 40 HD22 LEU 40 48.312 34.094 7.722 317 HD23 LEU 40 HD23 LEU 40 47.825 34.047 9.417 318 H GLN 41 H GLN 41 51.729 31.928 12.435 319 HA GLN 41 HA GLN 41 54.364 31.589 11.462 320 HB2 GLN 41 HB2 GLN 41 53.070 31.801 14.120 321 HB3 GLN 41 HB3 GLN 41 54.645 31.019 14.080 322 HG2 GLN 41 HG2 GLN 41 55.722 32.933 13.348 323 HG3 GLN 41 HG3 GLN 41 54.234 33.659 12.743 324 HE21 GLN 41 HE21 GLN 41 55.725 35.260 14.189 325 HE22 GLN 41 HE22 GLN 41 55.091 35.482 15.780 326 H ALA 42 H ALA 42 51.893 29.371 12.378 327 HA ALA 42 HA ALA 42 53.679 27.149 12.833 328 HB1 ALA 42 HB1 ALA 42 51.549 27.308 14.031 329 HB2 ALA 42 HB2 ALA 42 50.682 27.179 12.500 330 HB3 ALA 42 HB3 ALA 42 51.653 25.826 13.080 331 H ALA 43 H ALA 43 51.829 28.474 10.187 332 HA ALA 43 HA ALA 43 52.275 26.136 8.515 333 HB1 ALA 43 HB1 ALA 43 50.894 28.756 7.952 334 HB2 ALA 43 HB2 ALA 43 51.010 27.414 6.813 335 HB3 ALA 43 HB3 ALA 43 50.129 27.212 8.327 336 H ARG 44 H ARG 44 53.682 29.225 9.131 337 HA ARG 44 HA ARG 44 55.019 29.579 6.654 338 HB2 ARG 44 HB2 ARG 44 55.287 30.740 9.397 339 HB3 ARG 44 HB3 ARG 44 56.571 31.015 8.227 340 HG2 ARG 44 HG2 ARG 44 54.210 31.577 6.856 341 HG3 ARG 44 HG3 ARG 44 54.001 32.283 8.460 342 HD2 ARG 44 HD2 ARG 44 56.411 33.190 8.074 343 HD3 ARG 44 HD3 ARG 44 56.056 32.884 6.374 344 HE ARG 44 HE ARG 44 54.684 34.710 6.377 345 HH11 ARG 44 HH12 ARG 44 55.264 33.730 9.667 346 HH12 ARG 44 HH11 ARG 44 54.468 35.106 10.355 347 HH21 ARG 44 HH22 ARG 44 53.633 36.527 7.272 348 HH22 ARG 44 HH21 ARG 44 53.539 36.696 8.992 349 HN1 NH2 45 HN1 NH2 45 55.813 27.902 9.654 350 HN2 NH2 45 HN2 NH2 45 57.302 27.205 9.108 Start of MODEL 12 1 H1 ACE 1 H1 ACE 1 8.357 7.713 -5.071 2 H2 ACE 1 H2 ACE 1 10.012 7.502 -4.451 3 H3 ACE 1 H3 ACE 1 9.544 6.769 -6.004 4 H SER 2 H SER 2 8.621 6.832 -2.592 5 HA SER 2 HA SER 2 7.498 4.167 -2.766 6 HB2 SER 2 HB2 SER 2 10.197 4.676 -1.741 7 HB3 SER 2 HB3 SER 2 9.167 3.806 -0.604 8 HG SER 2 HG SER 2 10.442 2.782 -2.616 9 H LYS 3 H LYS 3 7.022 3.438 -0.337 10 HA LYS 3 HA LYS 3 5.498 5.651 0.808 11 HB2 LYS 3 HB2 LYS 3 5.110 2.812 0.554 12 HB3 LYS 3 HB3 LYS 3 5.006 3.273 2.248 13 HG2 LYS 3 HG2 LYS 3 3.525 4.964 0.334 14 HG3 LYS 3 HG3 LYS 3 2.921 3.324 0.577 15 HD2 LYS 3 HD2 LYS 3 1.856 4.153 2.361 16 HD3 LYS 3 HD3 LYS 3 3.439 4.177 3.141 17 HE2 LYS 3 HE2 LYS 3 3.571 6.503 1.828 18 HE3 LYS 3 HE3 LYS 3 1.823 6.399 2.035 19 HZ1 LYS 3 HZ1 LYS 3 2.015 6.935 4.163 20 HZ2 LYS 3 HZ2 LYS 3 3.650 7.273 3.891 21 HZ3 LYS 3 HZ3 LYS 3 3.183 5.743 4.443 22 H LEU 4 H LEU 4 8.518 4.737 1.148 23 HA LEU 4 HA LEU 4 8.535 4.987 4.084 24 HB2 LEU 4 HB2 LEU 4 9.541 2.926 2.795 25 HB3 LEU 4 HB3 LEU 4 10.905 4.017 2.560 26 HG LEU 4 HG LEU 4 10.922 4.284 5.094 27 HD11 LEU 4 HD11 LEU 4 9.718 2.893 6.450 28 HD12 LEU 4 HD12 LEU 4 9.542 1.652 5.210 29 HD13 LEU 4 HD13 LEU 4 8.565 3.118 5.134 30 HD21 LEU 4 HD21 LEU 4 12.680 3.071 4.138 31 HD22 LEU 4 HD22 LEU 4 11.625 1.738 3.667 32 HD23 LEU 4 HD23 LEU 4 12.019 1.992 5.368 33 H LEU 5 H LEU 5 8.405 7.132 2.046 34 HA LEU 5 HA LEU 5 11.016 8.415 2.324 35 HB2 LEU 5 HB2 LEU 5 8.811 8.569 0.451 36 HB3 LEU 5 HB3 LEU 5 9.315 10.166 1.000 37 HG LEU 5 HG LEU 5 10.385 9.411 -1.121 38 HD11 LEU 5 HD11 LEU 5 12.623 9.631 0.790 39 HD12 LEU 5 HD12 LEU 5 11.405 10.905 0.855 40 HD13 LEU 5 HD13 LEU 5 12.260 10.578 -0.652 41 HD21 LEU 5 HD21 LEU 5 11.745 7.420 0.693 42 HD22 LEU 5 HD22 LEU 5 12.169 7.742 -0.989 43 HD23 LEU 5 HD23 LEU 5 10.599 7.041 -0.593 44 H LEU 6 H LEU 6 7.716 8.663 3.436 45 HA LEU 6 HA LEU 6 7.888 11.270 4.533 46 HB2 LEU 6 HB2 LEU 6 6.021 9.004 4.644 47 HB3 LEU 6 HB3 LEU 6 6.007 10.048 6.064 48 HG LEU 6 HG LEU 6 5.858 11.464 3.493 49 HD11 LEU 6 HD11 LEU 6 3.752 9.503 4.343 50 HD12 LEU 6 HD12 LEU 6 4.486 9.717 2.754 51 HD13 LEU 6 HD13 LEU 6 3.367 10.929 3.379 52 HD21 LEU 6 HD21 LEU 6 3.957 11.648 5.798 53 HD22 LEU 6 HD22 LEU 6 4.482 12.906 4.678 54 HD23 LEU 6 HD23 LEU 6 5.585 12.316 5.922 55 H ASN 7 H ASN 7 8.032 8.063 6.090 56 HA ASN 7 HA ASN 7 8.622 8.945 8.665 57 HB2 ASN 7 HB2 ASN 7 9.709 6.388 7.491 58 HB3 ASN 7 HB3 ASN 7 9.241 6.706 9.159 59 HD21 ASN 7 HD21 ASN 7 7.005 6.922 9.648 60 HD22 ASN 7 HD22 ASN 7 5.814 6.168 8.648 61 H GLY 8 H GLY 8 10.659 8.621 5.861 62 HA2 GLY 8 HA2 GLY 8 13.107 8.914 7.408 63 HA3 GLY 8 HA3 GLY 8 12.989 8.736 5.664 64 H PHE 9 H PHE 9 10.875 10.922 5.705 65 HA PHE 9 HA PHE 9 12.732 13.096 5.324 66 HB2 PHE 9 HB2 PHE 9 10.834 12.701 3.773 67 HB3 PHE 9 HB3 PHE 9 9.717 13.083 5.079 68 HD1 PHE 9 HD2 PHE 9 12.722 14.587 3.450 69 HD2 PHE 9 HD1 PHE 9 8.842 15.196 5.091 70 HE1 PHE 9 HE2 PHE 9 12.847 16.970 2.851 71 HE2 PHE 9 HE1 PHE 9 8.960 17.580 4.493 72 HZ PHE 9 HZ PHE 9 10.965 18.470 3.373 73 H ASP 10 H ASP 10 10.785 11.941 7.858 74 HA ASP 10 HA ASP 10 10.381 14.482 9.157 75 HB2 ASP 10 HB2 ASP 10 8.964 12.277 9.335 76 HB3 ASP 10 HB3 ASP 10 10.134 11.861 10.584 77 H ASP 11 H ASP 11 12.804 12.025 9.106 78 HA ASP 11 HA ASP 11 14.047 12.960 11.567 79 HB2 ASP 11 HB2 ASP 11 14.147 10.548 9.977 80 HB3 ASP 11 HB3 ASP 11 15.772 11.151 10.289 81 H VAL 12 H VAL 12 14.468 13.157 8.102 82 HA VAL 12 HA VAL 12 17.104 14.270 8.199 83 HB VAL 12 HB VAL 12 16.100 13.059 6.218 84 HG11 VAL 12 HG11 VAL 12 14.952 15.628 5.287 85 HG12 VAL 12 HG12 VAL 12 14.480 13.970 4.909 86 HG13 VAL 12 HG13 VAL 12 14.012 14.693 6.449 87 HG21 VAL 12 HG21 VAL 12 16.996 15.094 4.655 88 HG22 VAL 12 HG22 VAL 12 17.696 15.523 6.216 89 HG23 VAL 12 HG23 VAL 12 18.037 13.948 5.500 90 H HIS 13 H HIS 13 13.867 15.531 8.339 91 HA HIS 13 HA HIS 13 14.420 18.207 7.627 92 HB2 HIS 13 HB2 HIS 13 12.151 16.784 8.204 93 HB3 HIS 13 HB3 HIS 13 12.295 17.819 9.621 94 HD1 HIS 13 HD1 HIS 13 11.353 20.099 9.383 95 HD2 HIS 13 HD2 HIS 13 12.181 18.366 5.699 96 HE1 HIS 13 HE1 HIS 13 10.486 21.721 7.667 97 H PHE 14 H PHE 14 14.929 16.395 10.531 98 HA PHE 14 HA PHE 14 15.304 18.759 12.171 99 HB2 PHE 14 HB2 PHE 14 14.350 16.445 12.912 100 HB3 PHE 14 HB3 PHE 14 16.044 15.981 13.029 101 HD1 PHE 14 HD1 PHE 14 14.154 19.070 13.933 102 HD2 PHE 14 HD2 PHE 14 16.718 15.924 15.217 103 HE1 PHE 14 HE1 PHE 14 14.272 20.084 16.172 104 HE2 PHE 14 HE2 PHE 14 16.839 16.932 17.458 105 HZ PHE 14 HZ PHE 14 15.615 19.014 17.938 106 H LEU 15 H LEU 15 17.260 16.208 10.705 107 HA LEU 15 HA LEU 15 19.727 16.850 11.835 108 HB2 LEU 15 HB2 LEU 15 18.770 15.355 9.505 109 HB3 LEU 15 HB3 LEU 15 20.397 16.009 9.325 110 HG LEU 15 HG LEU 15 20.305 13.657 10.148 111 HD11 LEU 15 HD11 LEU 15 22.245 13.980 11.214 112 HD12 LEU 15 HD12 LEU 15 21.522 15.053 12.412 113 HD13 LEU 15 HD13 LEU 15 21.994 15.684 10.834 114 HD21 LEU 15 HD21 LEU 15 18.291 13.898 11.540 115 HD22 LEU 15 HD22 LEU 15 19.198 14.926 12.651 116 HD23 LEU 15 HD23 LEU 15 19.653 13.234 12.443 117 H GLY 16 H GLY 16 17.964 18.329 9.202 118 HA2 GLY 16 HA2 GLY 16 20.127 19.834 8.133 119 HA3 GLY 16 HA3 GLY 16 18.418 20.153 7.876 120 H SER 17 H SER 17 17.731 20.490 10.636 121 HA SER 17 HA SER 17 18.613 23.226 10.948 122 HB2 SER 17 HB2 SER 17 16.363 23.113 11.439 123 HB3 SER 17 HB3 SER 17 16.492 21.511 12.164 124 HG SER 17 HG SER 17 16.184 22.925 13.828 125 H ASN 18 H ASN 18 19.467 20.157 12.177 126 HA ASN 18 HA ASN 18 20.672 21.228 14.602 127 HB2 ASN 18 HB2 ASN 18 19.704 18.674 13.775 128 HB3 ASN 18 HB3 ASN 18 21.411 18.510 14.174 129 HD21 ASN 18 HD21 ASN 18 18.851 17.653 15.501 130 HD22 ASN 18 HD22 ASN 18 19.010 18.205 17.131 131 H VAL 19 H VAL 19 21.611 19.916 11.476 132 HA VAL 19 HA VAL 19 24.370 19.681 11.933 133 HB VAL 19 HB VAL 19 23.067 18.796 9.943 134 HG11 VAL 19 HG11 VAL 19 22.250 21.291 9.539 135 HG12 VAL 19 HG12 VAL 19 23.682 21.318 8.509 136 HG13 VAL 19 HG13 VAL 19 22.410 20.130 8.222 137 HG21 VAL 19 HG21 VAL 19 25.356 18.439 9.838 138 HG22 VAL 19 HG22 VAL 19 25.038 19.326 8.348 139 HG23 VAL 19 HG23 VAL 19 25.723 20.161 9.742 140 H MET 20 H MET 20 22.362 22.438 11.241 141 HA MET 20 HA MET 20 24.495 24.183 10.472 142 HB2 MET 20 HB2 MET 20 22.883 25.864 10.317 143 HB3 MET 20 HB3 MET 20 21.980 24.403 9.942 144 HG2 MET 20 HG2 MET 20 21.419 24.398 12.468 145 HG3 MET 20 HG3 MET 20 21.906 26.090 12.403 146 HE1 MET 20 HE1 MET 20 18.523 26.768 12.831 147 HE2 MET 20 HE2 MET 20 18.155 25.049 12.690 148 HE3 MET 20 HE3 MET 20 19.599 25.574 13.557 149 H GLU 21 H GLU 21 22.873 23.374 13.476 150 HA GLU 21 HA GLU 21 23.941 25.498 15.021 151 HB2 GLU 21 HB2 GLU 21 22.006 24.373 15.847 152 HB3 GLU 21 HB3 GLU 21 22.802 22.808 15.768 153 HG2 GLU 21 HG2 GLU 21 22.664 23.517 18.053 154 HG3 GLU 21 HG3 GLU 21 24.350 23.535 17.540 155 H GLU 22 H GLU 22 24.965 22.151 14.471 156 HA GLU 22 HA GLU 22 27.186 22.255 16.238 157 HB2 GLU 22 HB2 GLU 22 27.909 20.182 15.083 158 HB3 GLU 22 HB3 GLU 22 26.237 20.122 15.625 159 HG2 GLU 22 HG2 GLU 22 25.494 20.647 13.348 160 HG3 GLU 22 HG3 GLU 22 27.174 20.658 12.815 161 H GLN 23 H GLN 23 26.682 23.206 12.939 162 HA GLN 23 HA GLN 23 29.470 23.342 12.261 163 HB2 GLN 23 HB2 GLN 23 26.982 23.552 10.882 164 HB3 GLN 23 HB3 GLN 23 27.921 25.000 10.544 165 HG2 GLN 23 HG2 GLN 23 29.792 23.618 9.806 166 HG3 GLN 23 HG3 GLN 23 28.854 22.165 10.149 167 HE21 GLN 23 HE21 GLN 23 26.560 22.332 9.086 168 HE22 GLN 23 HE22 GLN 23 26.582 22.752 7.410 169 H ASP 24 H ASP 24 27.002 25.588 13.376 170 HA ASP 24 HA ASP 24 28.665 27.909 13.083 171 HB2 ASP 24 HB2 ASP 24 26.025 27.660 13.204 172 HB3 ASP 24 HB3 ASP 24 26.318 27.896 14.925 173 H LEU 25 H LEU 25 28.312 25.446 15.426 174 HA LEU 25 HA LEU 25 29.362 27.039 17.613 175 HB2 LEU 25 HB2 LEU 25 27.887 24.640 17.371 176 HB3 LEU 25 HB3 LEU 25 29.411 24.236 18.159 177 HG LEU 25 HG LEU 25 28.958 25.805 19.936 178 HD11 LEU 25 HD11 LEU 25 27.719 27.596 19.510 179 HD12 LEU 25 HD12 LEU 25 26.297 26.557 19.577 180 HD13 LEU 25 HD13 LEU 25 27.082 26.876 18.031 181 HD21 LEU 25 HD21 LEU 25 26.364 24.362 19.606 182 HD22 LEU 25 HD22 LEU 25 27.359 24.569 21.047 183 HD23 LEU 25 HD23 LEU 25 27.861 23.447 19.782 184 H ARG 26 H ARG 26 30.518 24.916 15.148 185 HA ARG 26 HA ARG 26 33.070 24.477 16.473 186 HB2 ARG 26 HB2 ARG 26 33.591 22.997 14.686 187 HB3 ARG 26 HB3 ARG 26 31.907 22.705 15.101 188 HG2 ARG 26 HG2 ARG 26 31.141 23.871 13.184 189 HG3 ARG 26 HG3 ARG 26 32.753 24.503 12.847 190 HD2 ARG 26 HD2 ARG 26 32.985 22.772 11.458 191 HD3 ARG 26 HD3 ARG 26 33.143 21.778 12.906 192 HE ARG 26 HE ARG 26 30.863 21.933 11.133 193 HH11 ARG 26 HH12 ARG 26 32.066 20.968 14.254 194 HH12 ARG 26 HH11 ARG 26 30.798 19.821 14.534 195 HH21 ARG 26 HH22 ARG 26 29.188 20.425 11.489 196 HH22 ARG 26 HH21 ARG 26 29.162 19.512 12.960 197 H ASP 27 H ASP 27 31.664 26.473 13.992 198 HA ASP 27 HA ASP 27 34.043 27.315 12.729 199 HB2 ASP 27 HB2 ASP 27 31.674 27.614 11.876 200 HB3 ASP 27 HB3 ASP 27 31.523 28.954 13.009 201 H ILE 28 H ILE 28 32.301 28.475 15.557 202 HA ILE 28 HA ILE 28 33.555 30.916 15.954 203 HB ILE 28 HB ILE 28 32.665 28.955 18.072 204 HG12 ILE 28 HG12 ILE 28 31.132 31.353 17.099 205 HG13 ILE 28 HG13 ILE 28 31.002 29.803 16.274 206 HG21 ILE 28 HG21 ILE 28 32.318 31.427 19.135 207 HG22 ILE 28 HG22 ILE 28 33.722 30.401 19.426 208 HG23 ILE 28 HG23 ILE 28 33.791 31.662 18.195 209 HD11 ILE 28 HD11 ILE 28 29.563 30.684 18.498 210 HD12 ILE 28 HD12 ILE 28 29.557 29.074 17.777 211 HD13 ILE 28 HD13 ILE 28 30.666 29.445 19.096 212 H GLY 29 H GLY 29 34.776 27.698 16.396 213 HA2 GLY 29 HA2 GLY 29 37.082 28.645 17.922 214 HA3 GLY 29 HA3 GLY 29 36.696 26.970 17.554 215 H ILE 30 H ILE 30 36.224 27.889 14.675 216 HA ILE 30 HA ILE 30 38.998 27.539 13.851 217 HB ILE 30 HB ILE 30 36.506 27.566 12.145 218 HG12 ILE 30 HG12 ILE 30 38.073 25.175 13.129 219 HG13 ILE 30 HG13 ILE 30 36.592 25.749 13.887 220 HG21 ILE 30 HG21 ILE 30 37.951 27.657 10.457 221 HG22 ILE 30 HG22 ILE 30 39.328 27.473 11.542 222 HG23 ILE 30 HG23 ILE 30 38.492 26.046 10.931 223 HD11 ILE 30 HD11 ILE 30 36.046 23.928 12.458 224 HD12 ILE 30 HD12 ILE 30 35.435 25.405 11.710 225 HD13 ILE 30 HD13 ILE 30 36.914 24.657 11.106 226 H SER 31 H SER 31 36.702 30.027 14.175 227 HA SER 31 HA SER 31 38.178 31.754 12.306 228 HB2 SER 31 HB2 SER 31 35.378 31.440 12.863 229 HB3 SER 31 HB3 SER 31 35.866 33.091 13.245 230 HG SER 31 HG SER 31 35.723 33.383 11.171 231 H ASP 32 H ASP 32 38.161 30.960 15.463 232 HA ASP 32 HA ASP 32 38.021 33.275 16.948 233 HB2 ASP 32 HB2 ASP 32 39.116 30.644 17.286 234 HB3 ASP 32 HB3 ASP 32 40.240 31.828 17.946 235 HA PRO 33 HA PRO 33 41.335 35.893 15.761 236 HB2 PRO 33 HB2 PRO 33 42.022 37.007 18.139 237 HB3 PRO 33 HB3 PRO 33 40.529 37.412 17.284 238 HG2 PRO 33 HG2 PRO 33 40.949 35.534 19.577 239 HG3 PRO 33 HG3 PRO 33 39.653 36.717 19.323 240 HD2 PRO 33 HD2 PRO 33 39.328 34.074 18.836 241 HD3 PRO 33 HD3 PRO 33 38.492 35.327 17.897 242 H GLN 34 H GLN 34 42.046 34.091 18.756 243 HA GLN 34 HA GLN 34 44.804 34.270 18.722 244 HB2 GLN 34 HB2 GLN 34 42.996 32.058 19.690 245 HB3 GLN 34 HB3 GLN 34 44.735 32.045 19.948 246 HG2 GLN 34 HG2 GLN 34 43.443 34.533 20.763 247 HG3 GLN 34 HG3 GLN 34 42.885 33.111 21.644 248 HE21 GLN 34 HE21 GLN 34 43.843 33.895 23.541 249 HE22 GLN 34 HE22 GLN 34 45.550 33.812 23.794 250 H HIS 35 H HIS 35 42.700 32.350 16.741 251 HA HIS 35 HA HIS 35 44.357 30.320 15.875 252 HB2 HIS 35 HB2 HIS 35 41.866 31.205 15.184 253 HB3 HIS 35 HB3 HIS 35 42.785 31.582 13.729 254 HD1 HIS 35 HD1 HIS 35 40.631 29.460 13.561 255 HD2 HIS 35 HD2 HIS 35 44.590 28.614 14.491 256 HE1 HIS 35 HE1 HIS 35 40.957 27.038 12.970 257 H ARG 36 H ARG 36 44.256 33.688 14.834 258 HA ARG 36 HA ARG 36 45.981 33.480 12.634 259 HB2 ARG 36 HB2 ARG 36 46.159 35.842 12.714 260 HB3 ARG 36 HB3 ARG 36 44.538 35.459 13.278 261 HG2 ARG 36 HG2 ARG 36 45.089 36.947 14.881 262 HG3 ARG 36 HG3 ARG 36 45.795 35.514 15.631 263 HD2 ARG 36 HD2 ARG 36 47.714 36.644 15.696 264 HD3 ARG 36 HD3 ARG 36 47.787 36.430 13.947 265 HE ARG 36 HE ARG 36 46.249 38.660 14.311 266 HH11 ARG 36 HH12 ARG 36 49.449 37.678 15.268 267 HH12 ARG 36 HH11 ARG 36 50.085 39.290 15.265 268 HH21 ARG 36 HH22 ARG 36 47.075 40.786 14.305 269 HH22 ARG 36 HH21 ARG 36 48.734 41.057 14.719 270 H ARG 37 H ARG 37 46.603 33.713 16.068 271 HA ARG 37 HA ARG 37 49.406 34.251 15.787 272 HB2 ARG 37 HB2 ARG 37 47.501 33.849 17.991 273 HB3 ARG 37 HB3 ARG 37 49.125 33.262 18.321 274 HG2 ARG 37 HG2 ARG 37 49.404 35.809 17.151 275 HG3 ARG 37 HG3 ARG 37 48.134 35.933 18.370 276 HD2 ARG 37 HD2 ARG 37 49.553 35.503 20.091 277 HD3 ARG 37 HD3 ARG 37 50.571 34.436 19.125 278 HE ARG 37 HE ARG 37 51.902 36.225 18.638 279 HH11 ARG 37 HH12 ARG 37 48.822 37.392 19.766 280 HH12 ARG 37 HH11 ARG 37 49.317 39.052 19.801 281 HH21 ARG 37 HH22 ARG 37 52.566 38.407 18.679 282 HH22 ARG 37 HH21 ARG 37 51.446 39.629 19.181 283 H LYS 38 H LYS 38 47.399 31.403 16.149 284 HA LYS 38 HA LYS 38 49.636 29.631 16.576 285 HB2 LYS 38 HB2 LYS 38 46.772 28.945 15.891 286 HB3 LYS 38 HB3 LYS 38 47.987 27.849 16.535 287 HG2 LYS 38 HG2 LYS 38 47.635 30.178 18.219 288 HG3 LYS 38 HG3 LYS 38 46.127 29.292 17.982 289 HD2 LYS 38 HD2 LYS 38 46.897 27.426 19.051 290 HD3 LYS 38 HD3 LYS 38 48.574 27.721 18.588 291 HE2 LYS 38 HE2 LYS 38 48.225 29.822 20.183 292 HE3 LYS 38 HE3 LYS 38 47.021 28.752 20.898 293 HZ1 LYS 38 HZ1 LYS 38 48.850 28.142 22.075 294 HZ2 LYS 38 HZ2 LYS 38 49.933 28.486 20.823 295 HZ3 LYS 38 HZ3 LYS 38 49.013 27.067 20.779 296 H LEU 39 H LEU 39 47.907 30.917 13.886 297 HA LEU 39 HA LEU 39 48.857 28.866 12.055 298 HB2 LEU 39 HB2 LEU 39 46.581 30.153 12.012 299 HB3 LEU 39 HB3 LEU 39 47.521 31.390 11.181 300 HG LEU 39 HG LEU 39 48.189 29.335 9.648 301 HD11 LEU 39 HD11 LEU 39 45.908 28.382 11.221 302 HD12 LEU 39 HD12 LEU 39 47.113 27.481 10.303 303 HD13 LEU 39 HD13 LEU 39 45.729 28.196 9.477 304 HD21 LEU 39 HD21 LEU 39 46.515 30.040 8.096 305 HD22 LEU 39 HD22 LEU 39 47.035 31.455 9.010 306 HD23 LEU 39 HD23 LEU 39 45.501 30.673 9.393 307 H LEU 40 H LEU 40 49.771 31.980 13.194 308 HA LEU 40 HA LEU 40 51.346 32.775 10.959 309 HB2 LEU 40 HB2 LEU 40 50.669 33.799 13.556 310 HB3 LEU 40 HB3 LEU 40 52.402 33.959 13.275 311 HG LEU 40 HG LEU 40 50.585 34.890 11.122 312 HD11 LEU 40 HD11 LEU 40 50.781 37.146 12.592 313 HD12 LEU 40 HD12 LEU 40 50.561 35.947 13.865 314 HD13 LEU 40 HD13 LEU 40 49.366 36.094 12.577 315 HD21 LEU 40 HD21 LEU 40 52.820 35.200 10.609 316 HD22 LEU 40 HD22 LEU 40 53.250 35.618 12.268 317 HD23 LEU 40 HD23 LEU 40 52.363 36.770 11.269 318 H GLN 41 H GLN 41 52.190 31.396 14.134 319 HA GLN 41 HA GLN 41 54.950 31.126 13.548 320 HB2 GLN 41 HB2 GLN 41 53.159 29.914 15.642 321 HB3 GLN 41 HB3 GLN 41 54.865 29.503 15.531 322 HG2 GLN 41 HG2 GLN 41 54.824 32.274 15.483 323 HG3 GLN 41 HG3 GLN 41 53.593 31.834 16.665 324 HE21 GLN 41 HE21 GLN 41 56.801 32.462 16.232 325 HE22 GLN 41 HE22 GLN 41 57.433 31.703 17.649 326 H ALA 42 H ALA 42 52.172 29.207 12.832 327 HA ALA 42 HA ALA 42 53.683 26.798 12.292 328 HB1 ALA 42 HB1 ALA 42 51.336 26.796 13.177 329 HB2 ALA 42 HB2 ALA 42 50.809 27.352 11.588 330 HB3 ALA 42 HB3 ALA 42 51.599 25.784 11.756 331 H ALA 43 H ALA 43 52.170 29.411 10.475 332 HA ALA 43 HA ALA 43 52.740 28.213 7.917 333 HB1 ALA 43 HB1 ALA 43 51.973 31.079 8.388 334 HB2 ALA 43 HB2 ALA 43 51.695 30.088 6.956 335 HB3 ALA 43 HB3 ALA 43 50.797 29.766 8.439 336 H ARG 44 H ARG 44 54.364 30.291 10.139 337 HA ARG 44 HA ARG 44 56.158 31.464 8.231 338 HB2 ARG 44 HB2 ARG 44 55.798 32.744 10.180 339 HB3 ARG 44 HB3 ARG 44 56.073 31.366 11.237 340 HG2 ARG 44 HG2 ARG 44 58.317 31.603 11.191 341 HG3 ARG 44 HG3 ARG 44 58.334 32.166 9.519 342 HD2 ARG 44 HD2 ARG 44 56.997 34.158 10.931 343 HD3 ARG 44 HD3 ARG 44 58.331 33.682 11.981 344 HE ARG 44 HE ARG 44 58.509 35.125 9.522 345 HH11 ARG 44 HH12 ARG 44 60.182 32.891 11.603 346 HH12 ARG 44 HH11 ARG 44 61.758 33.351 11.048 347 HH21 ARG 44 HH22 ARG 44 60.578 35.740 8.784 348 HH22 ARG 44 HH21 ARG 44 61.982 34.973 9.445 349 HN1 NH2 45 HN1 NH2 45 56.053 28.545 10.125 350 HN2 NH2 45 HN2 NH2 45 57.617 27.941 9.690 Start of MODEL 13 1 H1 ACE 1 H1 ACE 1 5.212 11.758 -1.356 2 H2 ACE 1 H2 ACE 1 5.262 10.252 -2.304 3 H3 ACE 1 H3 ACE 1 4.208 11.592 -2.816 4 H SER 2 H SER 2 4.860 9.689 0.100 5 HA SER 2 HA SER 2 1.968 9.620 0.623 6 HB2 SER 2 HB2 SER 2 3.868 7.267 0.639 7 HB3 SER 2 HB3 SER 2 2.258 7.224 1.358 8 HG SER 2 HG SER 2 1.491 6.905 -0.560 9 H LYS 3 H LYS 3 1.501 8.839 2.885 10 HA LYS 3 HA LYS 3 2.767 10.476 4.756 11 HB2 LYS 3 HB2 LYS 3 1.589 9.000 6.457 12 HB3 LYS 3 HB3 LYS 3 0.567 9.762 5.246 13 HG2 LYS 3 HG2 LYS 3 1.510 7.142 4.420 14 HG3 LYS 3 HG3 LYS 3 0.583 7.097 5.921 15 HD2 LYS 3 HD2 LYS 3 -0.392 8.577 3.494 16 HD3 LYS 3 HD3 LYS 3 -0.708 6.856 3.726 17 HE2 LYS 3 HE2 LYS 3 -1.419 8.979 5.743 18 HE3 LYS 3 HE3 LYS 3 -2.533 8.391 4.508 19 HZ1 LYS 3 HZ1 LYS 3 -1.763 7.184 6.987 20 HZ2 LYS 3 HZ2 LYS 3 -1.593 6.121 5.682 21 HZ3 LYS 3 HZ3 LYS 3 -3.089 6.848 5.990 22 H LEU 4 H LEU 4 3.447 7.200 3.757 23 HA LEU 4 HA LEU 4 5.116 6.482 5.928 24 HB2 LEU 4 HB2 LEU 4 5.722 4.600 4.667 25 HB3 LEU 4 HB3 LEU 4 4.050 4.945 4.229 26 HG LEU 4 HG LEU 4 5.297 6.267 2.258 27 HD11 LEU 4 HD11 LEU 4 7.029 4.017 1.958 28 HD12 LEU 4 HD12 LEU 4 7.386 4.830 3.481 29 HD13 LEU 4 HD13 LEU 4 7.427 5.735 1.968 30 HD21 LEU 4 HD21 LEU 4 4.682 4.493 0.841 31 HD22 LEU 4 HD22 LEU 4 3.562 4.411 2.201 32 HD23 LEU 4 HD23 LEU 4 4.920 3.289 2.108 33 H LEU 5 H LEU 5 5.668 8.195 2.926 34 HA LEU 5 HA LEU 5 8.490 8.074 2.928 35 HB2 LEU 5 HB2 LEU 5 7.329 8.666 0.926 36 HB3 LEU 5 HB3 LEU 5 6.560 10.041 1.716 37 HG LEU 5 HG LEU 5 9.417 10.316 1.836 38 HD11 LEU 5 HD11 LEU 5 10.040 10.346 -0.418 39 HD12 LEU 5 HD12 LEU 5 8.371 10.221 -0.975 40 HD13 LEU 5 HD13 LEU 5 9.157 8.831 -0.226 41 HD21 LEU 5 HD21 LEU 5 8.849 12.413 0.586 42 HD22 LEU 5 HD22 LEU 5 7.960 12.183 2.092 43 HD23 LEU 5 HD23 LEU 5 7.175 11.859 0.546 44 H LEU 6 H LEU 6 6.187 10.340 4.344 45 HA LEU 6 HA LEU 6 8.051 12.286 5.164 46 HB2 LEU 6 HB2 LEU 6 5.244 11.636 5.705 47 HB3 LEU 6 HB3 LEU 6 6.068 12.463 7.025 48 HG LEU 6 HG LEU 6 4.825 13.978 5.504 49 HD11 LEU 6 HD11 LEU 6 6.574 14.937 6.785 50 HD12 LEU 6 HD12 LEU 6 6.747 15.557 5.144 51 HD13 LEU 6 HD13 LEU 6 7.812 14.274 5.718 52 HD21 LEU 6 HD21 LEU 6 5.793 12.441 3.491 53 HD22 LEU 6 HD22 LEU 6 6.892 13.818 3.423 54 HD23 LEU 6 HD23 LEU 6 5.152 14.071 3.283 55 H ASN 7 H ASN 7 7.037 9.252 6.556 56 HA ASN 7 HA ASN 7 8.134 9.723 9.151 57 HB2 ASN 7 HB2 ASN 7 7.506 7.077 7.822 58 HB3 ASN 7 HB3 ASN 7 7.722 7.359 9.547 59 HD21 ASN 7 HD21 ASN 7 5.455 6.172 8.490 60 HD22 ASN 7 HD22 ASN 7 4.107 7.225 8.731 61 H GLY 8 H GLY 8 9.383 8.587 6.117 62 HA2 GLY 8 HA2 GLY 8 11.785 7.465 7.295 63 HA3 GLY 8 HA3 GLY 8 11.417 7.580 5.581 64 H PHE 9 H PHE 9 10.864 10.375 5.522 65 HA PHE 9 HA PHE 9 13.529 11.356 5.258 66 HB2 PHE 9 HB2 PHE 9 11.044 12.040 4.214 67 HB3 PHE 9 HB3 PHE 9 11.472 13.415 5.227 68 HD1 PHE 9 HD1 PHE 9 12.918 11.204 2.602 69 HD2 PHE 9 HD2 PHE 9 12.800 15.081 4.354 70 HE1 PHE 9 HE1 PHE 9 14.391 12.050 0.822 71 HE2 PHE 9 HE2 PHE 9 14.272 15.933 2.577 72 HZ PHE 9 HZ PHE 9 15.069 14.418 0.807 73 H ASP 10 H ASP 10 11.178 11.404 7.768 74 HA ASP 10 HA ASP 10 11.865 13.711 9.169 75 HB2 ASP 10 HB2 ASP 10 9.918 12.430 9.795 76 HB3 ASP 10 HB3 ASP 10 10.911 11.030 10.190 77 H ASP 11 H ASP 11 13.356 10.517 9.167 78 HA ASP 11 HA ASP 11 15.218 11.168 11.259 79 HB2 ASP 11 HB2 ASP 11 14.412 8.812 9.825 80 HB3 ASP 11 HB3 ASP 11 16.168 8.947 9.791 81 H VAL 12 H VAL 12 14.990 12.121 8.116 82 HA VAL 12 HA VAL 12 17.908 12.267 7.748 83 HB VAL 12 HB VAL 12 15.706 12.578 5.702 84 HG11 VAL 12 HG11 VAL 12 17.687 12.466 4.103 85 HG12 VAL 12 HG12 VAL 12 17.453 13.977 4.985 86 HG13 VAL 12 HG13 VAL 12 18.693 12.834 5.504 87 HG21 VAL 12 HG21 VAL 12 17.326 10.305 6.627 88 HG22 VAL 12 HG22 VAL 12 15.753 10.329 5.831 89 HG23 VAL 12 HG23 VAL 12 17.226 10.494 4.876 90 H HIS 13 H HIS 13 15.008 14.122 8.150 91 HA HIS 13 HA HIS 13 16.164 16.620 7.310 92 HB2 HIS 13 HB2 HIS 13 13.556 15.652 7.934 93 HB3 HIS 13 HB3 HIS 13 13.880 17.044 8.962 94 HD1 HIS 13 HD1 HIS 13 13.108 19.143 7.936 95 HD2 HIS 13 HD2 HIS 13 14.352 16.405 5.069 96 HE1 HIS 13 HE1 HIS 13 12.751 20.280 5.722 97 H PHE 14 H PHE 14 16.300 14.728 10.110 98 HA PHE 14 HA PHE 14 16.770 16.979 11.897 99 HB2 PHE 14 HB2 PHE 14 16.389 15.544 13.622 100 HB3 PHE 14 HB3 PHE 14 15.598 14.600 12.364 101 HD1 PHE 14 HD2 PHE 14 18.544 14.886 14.509 102 HD2 PHE 14 HD1 PHE 14 16.596 12.579 11.509 103 HE1 PHE 14 HE2 PHE 14 20.065 13.009 14.970 104 HE2 PHE 14 HE1 PHE 14 18.113 10.697 11.966 105 HZ PHE 14 HZ PHE 14 19.852 10.911 13.697 106 H LEU 15 H LEU 15 18.522 14.613 10.074 107 HA LEU 15 HA LEU 15 20.986 14.846 11.505 108 HB2 LEU 15 HB2 LEU 15 20.778 12.858 10.329 109 HB3 LEU 15 HB3 LEU 15 20.155 13.661 8.889 110 HG LEU 15 HG LEU 15 22.366 14.474 8.341 111 HD11 LEU 15 HD11 LEU 15 24.313 13.936 9.648 112 HD12 LEU 15 HD12 LEU 15 23.335 13.031 10.803 113 HD13 LEU 15 HD13 LEU 15 23.147 14.779 10.667 114 HD21 LEU 15 HD21 LEU 15 22.426 12.523 7.261 115 HD22 LEU 15 HD22 LEU 15 21.717 11.652 8.622 116 HD23 LEU 15 HD23 LEU 15 23.455 11.954 8.576 117 H GLY 16 H GLY 16 19.904 16.048 8.322 118 HA2 GLY 16 HA2 GLY 16 22.140 17.512 7.627 119 HA3 GLY 16 HA3 GLY 16 20.501 17.932 7.152 120 H SER 17 H SER 17 19.428 18.525 9.670 121 HA SER 17 HA SER 17 20.310 21.202 9.979 122 HB2 SER 17 HB2 SER 17 18.454 19.516 11.672 123 HB3 SER 17 HB3 SER 17 18.704 21.246 11.899 124 HG SER 17 HG SER 17 17.648 19.949 9.607 125 H ASN 18 H ASN 18 20.912 18.227 11.743 126 HA ASN 18 HA ASN 18 22.151 19.416 13.999 127 HB2 ASN 18 HB2 ASN 18 21.323 16.888 13.372 128 HB3 ASN 18 HB3 ASN 18 23.072 16.721 13.250 129 HD21 ASN 18 HD21 ASN 18 20.788 15.996 15.237 130 HD22 ASN 18 HD22 ASN 18 21.496 16.364 16.769 131 H VAL 19 H VAL 19 23.502 17.846 11.101 132 HA VAL 19 HA VAL 19 26.191 18.148 11.635 133 HB VAL 19 HB VAL 19 24.930 18.471 8.910 134 HG11 VAL 19 HG11 VAL 19 27.676 17.577 9.777 135 HG12 VAL 19 HG12 VAL 19 27.067 17.510 8.122 136 HG13 VAL 19 HG13 VAL 19 27.269 19.067 8.926 137 HG21 VAL 19 HG21 VAL 19 25.094 16.176 10.698 138 HG22 VAL 19 HG22 VAL 19 24.124 16.411 9.244 139 HG23 VAL 19 HG23 VAL 19 25.797 15.870 9.110 140 H MET 20 H MET 20 23.873 20.544 10.615 141 HA MET 20 HA MET 20 25.792 22.512 9.834 142 HB2 MET 20 HB2 MET 20 23.507 22.548 8.961 143 HB3 MET 20 HB3 MET 20 22.878 22.803 10.583 144 HG2 MET 20 HG2 MET 20 24.325 24.919 10.595 145 HG3 MET 20 HG3 MET 20 24.419 24.691 8.850 146 HE1 MET 20 HE1 MET 20 22.391 27.650 9.179 147 HE2 MET 20 HE2 MET 20 23.760 26.781 8.483 148 HE3 MET 20 HE3 MET 20 22.197 26.765 7.665 149 H GLU 21 H GLU 21 23.948 21.844 12.775 150 HA GLU 21 HA GLU 21 24.686 24.148 14.205 151 HB2 GLU 21 HB2 GLU 21 22.853 22.799 14.976 152 HB3 GLU 21 HB3 GLU 21 23.894 21.392 15.149 153 HG2 GLU 21 HG2 GLU 21 23.463 22.274 17.316 154 HG3 GLU 21 HG3 GLU 21 25.146 22.605 16.914 155 H GLU 22 H GLU 22 26.200 20.965 13.932 156 HA GLU 22 HA GLU 22 28.238 21.455 15.849 157 HB2 GLU 22 HB2 GLU 22 28.416 19.517 13.547 158 HB3 GLU 22 HB3 GLU 22 29.223 19.419 15.106 159 HG2 GLU 22 HG2 GLU 22 26.352 18.910 14.441 160 HG3 GLU 22 HG3 GLU 22 27.512 17.853 15.243 161 H GLN 23 H GLN 23 27.982 21.938 12.378 162 HA GLN 23 HA GLN 23 30.744 22.600 12.016 163 HB2 GLN 23 HB2 GLN 23 28.504 22.108 10.350 164 HB3 GLN 23 HB3 GLN 23 29.102 23.713 9.952 165 HG2 GLN 23 HG2 GLN 23 31.408 22.615 9.816 166 HG3 GLN 23 HG3 GLN 23 30.529 21.087 9.783 167 HE21 GLN 23 HE21 GLN 23 28.779 20.964 8.117 168 HE22 GLN 23 HE22 GLN 23 29.113 21.653 6.569 169 H ASP 24 H ASP 24 27.814 24.365 12.726 170 HA ASP 24 HA ASP 24 28.969 26.953 12.231 171 HB2 ASP 24 HB2 ASP 24 26.437 26.160 12.235 172 HB3 ASP 24 HB3 ASP 24 26.540 26.619 13.933 173 H LEU 25 H LEU 25 28.761 24.760 14.897 174 HA LEU 25 HA LEU 25 29.393 26.764 16.887 175 HB2 LEU 25 HB2 LEU 25 28.580 23.968 16.854 176 HB3 LEU 25 HB3 LEU 25 29.837 24.300 18.044 177 HG LEU 25 HG LEU 25 27.507 24.404 18.929 178 HD11 LEU 25 HD11 LEU 25 28.194 25.866 20.474 179 HD12 LEU 25 HD12 LEU 25 28.415 27.157 19.294 180 HD13 LEU 25 HD13 LEU 25 29.678 25.948 19.525 181 HD21 LEU 25 HD21 LEU 25 25.945 25.875 18.190 182 HD22 LEU 25 HD22 LEU 25 26.829 25.657 16.679 183 HD23 LEU 25 HD23 LEU 25 27.142 27.069 17.689 184 H ARG 26 H ARG 26 31.079 24.591 14.808 185 HA ARG 26 HA ARG 26 33.551 24.793 16.344 186 HB2 ARG 26 HB2 ARG 26 34.435 23.125 14.927 187 HB3 ARG 26 HB3 ARG 26 32.768 22.649 15.220 188 HG2 ARG 26 HG2 ARG 26 32.131 23.593 13.046 189 HG3 ARG 26 HG3 ARG 26 33.818 24.018 12.753 190 HD2 ARG 26 HD2 ARG 26 33.422 21.975 11.616 191 HD3 ARG 26 HD3 ARG 26 34.370 21.582 13.050 192 HE ARG 26 HE ARG 26 31.641 21.320 13.656 193 HH11 ARG 26 HH12 ARG 26 34.122 19.794 11.749 194 HH12 ARG 26 HH11 ARG 26 33.399 18.221 11.830 195 HH21 ARG 26 HH22 ARG 26 30.680 19.255 13.770 196 HH22 ARG 26 HH21 ARG 26 31.441 17.916 12.979 197 H ASP 27 H ASP 27 32.076 25.993 13.409 198 HA ASP 27 HA ASP 27 34.260 26.974 12.034 199 HB2 ASP 27 HB2 ASP 27 32.157 27.115 10.966 200 HB3 ASP 27 HB3 ASP 27 31.445 28.012 12.305 201 H ILE 28 H ILE 28 32.355 28.652 14.531 202 HA ILE 28 HA ILE 28 33.759 31.044 14.578 203 HB ILE 28 HB ILE 28 32.503 29.645 16.943 204 HG12 ILE 28 HG12 ILE 28 31.309 31.685 15.053 205 HG13 ILE 28 HG13 ILE 28 30.981 29.956 14.994 206 HG21 ILE 28 HG21 ILE 28 33.852 31.388 17.779 207 HG22 ILE 28 HG22 ILE 28 33.376 32.483 16.482 208 HG23 ILE 28 HG23 ILE 28 32.213 32.038 17.731 209 HD11 ILE 28 HD11 ILE 28 29.218 30.498 16.256 210 HD12 ILE 28 HD12 ILE 28 30.388 30.505 17.575 211 HD13 ILE 28 HD13 ILE 28 29.936 32.018 16.790 212 H GLY 29 H GLY 29 34.646 27.924 15.812 213 HA2 GLY 29 HA2 GLY 29 36.758 28.954 17.508 214 HA3 GLY 29 HA3 GLY 29 36.399 27.262 17.195 215 H ILE 30 H ILE 30 36.431 27.776 14.252 216 HA ILE 30 HA ILE 30 39.318 27.517 13.932 217 HB ILE 30 HB ILE 30 37.167 27.126 11.850 218 HG12 ILE 30 HG12 ILE 30 38.557 25.036 13.540 219 HG13 ILE 30 HG13 ILE 30 36.913 25.605 13.809 220 HG21 ILE 30 HG21 ILE 30 38.973 25.737 10.779 221 HG22 ILE 30 HG22 ILE 30 39.265 27.475 10.802 222 HG23 ILE 30 HG23 ILE 30 40.091 26.427 11.955 223 HD11 ILE 30 HD11 ILE 30 36.368 23.827 12.565 224 HD12 ILE 30 HD12 ILE 30 36.778 24.881 11.211 225 HD13 ILE 30 HD13 ILE 30 37.964 23.727 11.821 226 H SER 31 H SER 31 36.902 29.862 13.562 227 HA SER 31 HA SER 31 38.547 31.401 11.668 228 HB2 SER 31 HB2 SER 31 35.713 30.981 11.877 229 HB3 SER 31 HB3 SER 31 36.063 32.698 12.071 230 HG SER 31 HG SER 31 36.989 32.744 10.088 231 H ASP 32 H ASP 32 38.109 31.061 14.876 232 HA ASP 32 HA ASP 32 37.645 33.544 15.969 233 HB2 ASP 32 HB2 ASP 32 39.023 31.101 16.807 234 HB3 ASP 32 HB3 ASP 32 39.660 32.554 17.572 235 HA PRO 33 HA PRO 33 40.956 36.200 14.862 236 HB2 PRO 33 HB2 PRO 33 41.243 37.679 17.121 237 HB3 PRO 33 HB3 PRO 33 39.867 37.855 16.026 238 HG2 PRO 33 HG2 PRO 33 40.053 36.346 18.604 239 HG3 PRO 33 HG3 PRO 33 38.748 37.389 18.010 240 HD2 PRO 33 HD2 PRO 33 38.629 34.687 17.877 241 HD3 PRO 33 HD3 PRO 33 37.872 35.736 16.662 242 H GLN 34 H GLN 34 41.328 34.888 18.158 243 HA GLN 34 HA GLN 34 44.050 35.253 18.463 244 HB2 GLN 34 HB2 GLN 34 42.231 33.084 19.501 245 HB3 GLN 34 HB3 GLN 34 43.919 33.214 19.979 246 HG2 GLN 34 HG2 GLN 34 43.466 35.493 20.817 247 HG3 GLN 34 HG3 GLN 34 41.762 35.264 20.425 248 HE21 GLN 34 HE21 GLN 34 41.226 35.576 22.610 249 HE22 GLN 34 HE22 GLN 34 41.476 34.334 23.784 250 H HIS 35 H HIS 35 42.346 32.926 16.533 251 HA HIS 35 HA HIS 35 44.210 30.920 16.201 252 HB2 HIS 35 HB2 HIS 35 41.799 31.539 15.055 253 HB3 HIS 35 HB3 HIS 35 42.905 31.738 13.698 254 HD1 HIS 35 HD1 HIS 35 40.859 29.484 13.631 255 HD2 HIS 35 HD2 HIS 35 44.709 29.046 15.131 256 HE1 HIS 35 HE1 HIS 35 41.362 27.024 13.483 257 H ARG 36 H ARG 36 44.031 34.051 14.560 258 HA ARG 36 HA ARG 36 46.148 33.614 12.755 259 HB2 ARG 36 HB2 ARG 36 44.645 35.961 13.762 260 HB3 ARG 36 HB3 ARG 36 46.230 36.289 13.075 261 HG2 ARG 36 HG2 ARG 36 44.816 34.507 11.351 262 HG3 ARG 36 HG3 ARG 36 43.795 35.898 11.725 263 HD2 ARG 36 HD2 ARG 36 45.123 37.337 10.604 264 HD3 ARG 36 HD3 ARG 36 46.603 36.520 11.103 265 HE ARG 36 HE ARG 36 45.225 34.904 9.261 266 HH11 ARG 36 HH12 ARG 36 47.027 37.878 9.412 267 HH12 ARG 36 HH11 ARG 36 47.575 37.782 7.772 268 HH21 ARG 36 HH22 ARG 36 45.940 34.765 7.099 269 HH22 ARG 36 HH21 ARG 36 46.956 36.011 6.457 270 H ARG 37 H ARG 37 46.059 34.755 16.076 271 HA ARG 37 HA ARG 37 48.802 35.563 16.149 272 HB2 ARG 37 HB2 ARG 37 46.652 35.169 18.200 273 HB3 ARG 37 HB3 ARG 37 48.320 35.381 18.714 274 HG2 ARG 37 HG2 ARG 37 48.009 37.434 16.943 275 HG3 ARG 37 HG3 ARG 37 46.410 37.329 17.682 276 HD2 ARG 37 HD2 ARG 37 48.083 37.090 19.840 277 HD3 ARG 37 HD3 ARG 37 48.949 38.229 18.811 278 HE ARG 37 HE ARG 37 47.361 39.801 19.288 279 HH11 ARG 37 HH12 ARG 37 46.114 36.653 20.099 280 HH12 ARG 37 HH11 ARG 37 44.678 37.271 20.846 281 HH21 ARG 37 HH22 ARG 37 45.475 40.626 20.269 282 HH22 ARG 37 HH21 ARG 37 44.315 39.531 20.942 283 H LYS 38 H LYS 38 47.043 32.617 16.829 284 HA LYS 38 HA LYS 38 49.311 31.313 18.054 285 HB2 LYS 38 HB2 LYS 38 46.573 30.907 18.115 286 HB3 LYS 38 HB3 LYS 38 47.158 29.569 17.135 287 HG2 LYS 38 HG2 LYS 38 47.656 28.501 19.007 288 HG3 LYS 38 HG3 LYS 38 48.902 29.713 19.313 289 HD2 LYS 38 HD2 LYS 38 46.023 30.095 20.105 290 HD3 LYS 38 HD3 LYS 38 47.215 29.342 21.168 291 HE2 LYS 38 HE2 LYS 38 47.697 32.031 19.926 292 HE3 LYS 38 HE3 LYS 38 46.775 31.862 21.420 293 HZ1 LYS 38 HZ1 LYS 38 49.240 32.293 21.644 294 HZ2 LYS 38 HZ2 LYS 38 49.482 30.709 21.105 295 HZ3 LYS 38 HZ3 LYS 38 48.624 30.994 22.536 296 H LEU 39 H LEU 39 48.022 31.720 14.888 297 HA LEU 39 HA LEU 39 49.469 29.447 13.794 298 HB2 LEU 39 HB2 LEU 39 47.153 30.354 13.053 299 HB3 LEU 39 HB3 LEU 39 48.096 31.544 12.158 300 HG LEU 39 HG LEU 39 49.261 29.223 11.347 301 HD11 LEU 39 HD11 LEU 39 47.269 27.782 10.713 302 HD12 LEU 39 HD12 LEU 39 46.373 28.660 11.953 303 HD13 LEU 39 HD13 LEU 39 47.795 27.715 12.396 304 HD21 LEU 39 HD21 LEU 39 48.773 30.673 9.662 305 HD22 LEU 39 HD22 LEU 39 47.151 31.011 10.268 306 HD23 LEU 39 HD23 LEU 39 47.476 29.506 9.407 307 H LEU 40 H LEU 40 49.890 32.830 14.271 308 HA LEU 40 HA LEU 40 51.820 33.262 12.212 309 HB2 LEU 40 HB2 LEU 40 50.499 35.076 13.206 310 HB3 LEU 40 HB3 LEU 40 51.311 34.813 14.748 311 HG LEU 40 HG LEU 40 53.459 35.443 13.634 312 HD11 LEU 40 HD11 LEU 40 52.937 36.904 11.507 313 HD12 LEU 40 HD12 LEU 40 51.598 35.769 11.338 314 HD13 LEU 40 HD13 LEU 40 53.257 35.175 11.375 315 HD21 LEU 40 HD21 LEU 40 52.210 37.035 14.992 316 HD22 LEU 40 HD22 LEU 40 51.256 37.504 13.584 317 HD23 LEU 40 HD23 LEU 40 52.987 37.842 13.630 318 H GLN 41 H GLN 41 52.043 32.713 15.718 319 HA GLN 41 HA GLN 41 54.883 32.754 15.787 320 HB2 GLN 41 HB2 GLN 41 52.833 32.703 17.668 321 HB3 GLN 41 HB3 GLN 41 53.661 31.168 17.895 322 HG2 GLN 41 HG2 GLN 41 54.947 33.888 17.948 323 HG3 GLN 41 HG3 GLN 41 54.559 32.895 19.352 324 HE21 GLN 41 HE21 GLN 41 55.651 30.839 19.550 325 HE22 GLN 41 HE22 GLN 41 57.243 30.656 18.905 326 H ALA 42 H ALA 42 52.539 30.337 15.013 327 HA ALA 42 HA ALA 42 54.382 28.126 15.350 328 HB1 ALA 42 HB1 ALA 42 51.918 27.948 15.782 329 HB2 ALA 42 HB2 ALA 42 51.672 28.069 14.039 330 HB3 ALA 42 HB3 ALA 42 52.579 26.713 14.710 331 H ALA 43 H ALA 43 53.186 30.177 12.790 332 HA ALA 43 HA ALA 43 54.288 28.522 10.686 333 HB1 ALA 43 HB1 ALA 43 53.567 30.401 9.209 334 HB2 ALA 43 HB2 ALA 43 52.271 29.698 10.177 335 HB3 ALA 43 HB3 ALA 43 52.987 31.239 10.648 336 H ARG 44 H ARG 44 55.302 31.159 12.668 337 HA ARG 44 HA ARG 44 57.310 32.215 10.965 338 HB2 ARG 44 HB2 ARG 44 56.682 32.410 13.882 339 HB3 ARG 44 HB3 ARG 44 58.246 32.974 13.308 340 HG2 ARG 44 HG2 ARG 44 56.350 34.069 11.561 341 HG3 ARG 44 HG3 ARG 44 55.690 34.262 13.186 342 HD2 ARG 44 HD2 ARG 44 57.361 35.663 13.848 343 HD3 ARG 44 HD3 ARG 44 58.553 34.918 12.784 344 HE ARG 44 HE ARG 44 56.561 36.292 11.297 345 HH11 ARG 44 HH12 ARG 44 59.413 36.787 13.231 346 HH12 ARG 44 HH11 ARG 44 59.841 38.275 12.453 347 HH21 ARG 44 HH22 ARG 44 57.114 38.250 10.265 348 HH22 ARG 44 HH21 ARG 44 58.532 39.107 10.767 349 HN1 NH2 45 HN1 NH2 45 57.230 29.616 13.348 350 HN2 NH2 45 HN2 NH2 45 58.844 29.047 13.081 Start of MODEL 14 1 H1 ACE 1 H1 ACE 1 11.332 4.852 -4.880 2 H2 ACE 1 H2 ACE 1 12.044 5.912 -3.639 3 H3 ACE 1 H3 ACE 1 12.735 4.298 -3.935 4 H SER 2 H SER 2 9.924 6.043 -2.781 5 HA SER 2 HA SER 2 8.682 3.703 -1.660 6 HB2 SER 2 HB2 SER 2 10.638 5.095 -0.108 7 HB3 SER 2 HB3 SER 2 9.053 5.375 0.613 8 HG SER 2 HG SER 2 8.805 2.999 0.388 9 H LYS 3 H LYS 3 6.847 4.455 -0.103 10 HA LYS 3 HA LYS 3 5.508 6.711 -1.424 11 HB2 LYS 3 HB2 LYS 3 4.632 4.105 -0.455 12 HB3 LYS 3 HB3 LYS 3 3.610 5.413 0.127 13 HG2 LYS 3 HG2 LYS 3 4.296 4.915 -2.762 14 HG3 LYS 3 HG3 LYS 3 2.799 4.418 -1.970 15 HD2 LYS 3 HD2 LYS 3 2.957 7.082 -1.334 16 HD3 LYS 3 HD3 LYS 3 3.616 7.040 -2.971 17 HE2 LYS 3 HE2 LYS 3 1.647 6.166 -3.867 18 HE3 LYS 3 HE3 LYS 3 1.064 5.621 -2.295 19 HZ1 LYS 3 HZ1 LYS 3 1.096 8.355 -3.403 20 HZ2 LYS 3 HZ2 LYS 3 1.022 8.104 -1.732 21 HZ3 LYS 3 HZ3 LYS 3 -0.199 7.496 -2.734 22 H LEU 4 H LEU 4 6.421 5.415 1.710 23 HA LEU 4 HA LEU 4 5.271 7.739 3.063 24 HB2 LEU 4 HB2 LEU 4 5.217 5.185 3.800 25 HB3 LEU 4 HB3 LEU 4 6.749 5.635 4.546 26 HG LEU 4 HG LEU 4 5.423 7.536 5.653 27 HD11 LEU 4 HD11 LEU 4 3.358 6.300 4.118 28 HD12 LEU 4 HD12 LEU 4 3.277 7.734 5.141 29 HD13 LEU 4 HD13 LEU 4 2.984 6.139 5.835 30 HD21 LEU 4 HD21 LEU 4 4.545 4.841 6.597 31 HD22 LEU 4 HD22 LEU 4 5.102 6.231 7.529 32 HD23 LEU 4 HD23 LEU 4 6.257 5.264 6.611 33 H LEU 5 H LEU 5 7.539 8.091 1.333 34 HA LEU 5 HA LEU 5 9.985 8.199 2.686 35 HB2 LEU 5 HB2 LEU 5 9.366 8.566 0.177 36 HB3 LEU 5 HB3 LEU 5 9.243 10.258 0.653 37 HG LEU 5 HG LEU 5 11.738 8.925 1.453 38 HD11 LEU 5 HD11 LEU 5 11.640 9.694 -1.405 39 HD12 LEU 5 HD12 LEU 5 10.959 8.129 -0.962 40 HD13 LEU 5 HD13 LEU 5 12.641 8.497 -0.583 41 HD21 LEU 5 HD21 LEU 5 11.482 11.269 1.814 42 HD22 LEU 5 HD22 LEU 5 10.994 11.532 0.140 43 HD23 LEU 5 HD23 LEU 5 12.652 11.054 0.512 44 H LEU 6 H LEU 6 7.207 10.265 2.825 45 HA LEU 6 HA LEU 6 8.413 12.603 3.824 46 HB2 LEU 6 HB2 LEU 6 6.194 13.213 4.595 47 HB3 LEU 6 HB3 LEU 6 6.137 12.553 2.962 48 HG LEU 6 HG LEU 6 5.647 10.361 4.587 49 HD11 LEU 6 HD11 LEU 6 5.234 12.504 6.231 50 HD12 LEU 6 HD12 LEU 6 4.476 10.921 6.405 51 HD13 LEU 6 HD13 LEU 6 3.623 12.220 5.572 52 HD21 LEU 6 HD21 LEU 6 4.063 12.151 2.826 53 HD22 LEU 6 HD22 LEU 6 3.190 10.987 3.822 54 HD23 LEU 6 HD23 LEU 6 4.409 10.428 2.675 55 H ASN 7 H ASN 7 7.554 9.587 5.325 56 HA ASN 7 HA ASN 7 7.790 10.601 8.019 57 HB2 ASN 7 HB2 ASN 7 6.290 8.669 7.279 58 HB3 ASN 7 HB3 ASN 7 7.758 7.699 7.197 59 HD21 ASN 7 HD21 ASN 7 6.725 6.378 8.807 60 HD22 ASN 7 HD22 ASN 7 6.806 6.837 10.471 61 H GLY 8 H GLY 8 9.830 9.071 5.650 62 HA2 GLY 8 HA2 GLY 8 11.903 8.431 7.580 63 HA3 GLY 8 HA3 GLY 8 11.975 8.171 5.844 64 H PHE 9 H PHE 9 11.178 10.962 5.285 65 HA PHE 9 HA PHE 9 13.811 12.085 5.280 66 HB2 PHE 9 HB2 PHE 9 11.801 12.345 3.571 67 HB3 PHE 9 HB3 PHE 9 11.413 13.726 4.593 68 HD1 PHE 9 HD1 PHE 9 14.496 12.242 3.093 69 HD2 PHE 9 HD2 PHE 9 12.166 15.732 3.801 70 HE1 PHE 9 HE1 PHE 9 16.161 13.594 1.887 71 HE2 PHE 9 HE2 PHE 9 13.826 17.090 2.596 72 HZ PHE 9 HZ PHE 9 15.827 16.021 1.636 73 H ASP 10 H ASP 10 10.993 12.387 7.269 74 HA ASP 10 HA ASP 10 11.305 14.880 8.413 75 HB2 ASP 10 HB2 ASP 10 9.775 12.585 8.933 76 HB3 ASP 10 HB3 ASP 10 10.614 12.939 10.440 77 H ASP 11 H ASP 11 12.773 11.816 9.473 78 HA ASP 11 HA ASP 11 14.217 12.855 11.634 79 HB2 ASP 11 HB2 ASP 11 13.843 10.360 10.568 80 HB3 ASP 11 HB3 ASP 11 15.536 10.663 10.184 81 H VAL 12 H VAL 12 14.807 12.973 8.224 82 HA VAL 12 HA VAL 12 17.596 13.677 8.480 83 HB VAL 12 HB VAL 12 15.800 13.864 6.058 84 HG11 VAL 12 HG11 VAL 12 18.164 13.592 4.968 85 HG12 VAL 12 HG12 VAL 12 17.605 15.179 5.501 86 HG13 VAL 12 HG13 VAL 12 18.724 14.254 6.503 87 HG21 VAL 12 HG21 VAL 12 17.594 11.653 7.043 88 HG22 VAL 12 HG22 VAL 12 15.854 11.586 6.760 89 HG23 VAL 12 HG23 VAL 12 16.963 11.740 5.398 90 H HIS 13 H HIS 13 14.542 15.337 7.865 91 HA HIS 13 HA HIS 13 15.506 17.855 7.191 92 HB2 HIS 13 HB2 HIS 13 12.992 16.706 7.931 93 HB3 HIS 13 HB3 HIS 13 13.199 18.222 8.804 94 HD1 HIS 13 HD1 HIS 13 12.221 20.117 7.577 95 HD2 HIS 13 HD2 HIS 13 13.726 17.233 4.992 96 HE1 HIS 13 HE1 HIS 13 11.761 20.984 5.262 97 H PHE 14 H PHE 14 15.438 16.239 10.250 98 HA PHE 14 HA PHE 14 15.887 18.655 11.781 99 HB2 PHE 14 HB2 PHE 14 14.585 16.798 12.744 100 HB3 PHE 14 HB3 PHE 14 15.998 15.753 12.632 101 HD1 PHE 14 HD2 PHE 14 15.433 19.229 13.873 102 HD2 PHE 14 HD1 PHE 14 16.867 15.308 14.702 103 HE1 PHE 14 HE2 PHE 14 16.150 19.967 16.108 104 HE2 PHE 14 HE1 PHE 14 17.585 16.040 16.938 105 HZ PHE 14 HZ PHE 14 17.228 18.372 17.643 106 H LEU 15 H LEU 15 17.745 15.906 10.601 107 HA LEU 15 HA LEU 15 20.114 16.235 11.975 108 HB2 LEU 15 HB2 LEU 15 19.232 14.887 9.611 109 HB3 LEU 15 HB3 LEU 15 20.808 15.619 9.311 110 HG LEU 15 HG LEU 15 20.991 13.287 10.041 111 HD11 LEU 15 HD11 LEU 15 22.712 15.042 10.595 112 HD12 LEU 15 HD12 LEU 15 22.722 13.607 11.619 113 HD13 LEU 15 HD13 LEU 15 22.006 15.106 12.210 114 HD21 LEU 15 HD21 LEU 15 18.953 13.982 11.815 115 HD22 LEU 15 HD22 LEU 15 20.369 13.695 12.826 116 HD23 LEU 15 HD23 LEU 15 19.806 12.441 11.720 117 H GLY 16 H GLY 16 18.986 17.930 9.080 118 HA2 GLY 16 HA2 GLY 16 21.273 19.308 8.372 119 HA3 GLY 16 HA3 GLY 16 19.643 19.932 8.166 120 H SER 17 H SER 17 18.664 20.772 10.308 121 HA SER 17 HA SER 17 20.047 23.022 11.109 122 HB2 SER 17 HB2 SER 17 17.641 21.605 11.982 123 HB3 SER 17 HB3 SER 17 18.435 22.483 13.288 124 HG SER 17 HG SER 17 17.708 23.584 10.774 125 H ASN 18 H ASN 18 20.143 19.780 12.427 126 HA ASN 18 HA ASN 18 21.471 20.391 14.846 127 HB2 ASN 18 HB2 ASN 18 20.447 18.095 13.628 128 HB3 ASN 18 HB3 ASN 18 22.173 17.782 13.784 129 HD21 ASN 18 HD21 ASN 18 19.668 16.797 15.179 130 HD22 ASN 18 HD22 ASN 18 20.045 16.943 16.859 131 H VAL 19 H VAL 19 22.721 19.158 11.744 132 HA VAL 19 HA VAL 19 25.407 19.045 12.346 133 HB VAL 19 HB VAL 19 24.272 19.969 9.704 134 HG11 VAL 19 HG11 VAL 19 26.893 18.704 10.479 135 HG12 VAL 19 HG12 VAL 19 26.323 18.836 8.814 136 HG13 VAL 19 HG13 VAL 19 26.634 20.292 9.759 137 HG21 VAL 19 HG21 VAL 19 23.324 17.971 9.511 138 HG22 VAL 19 HG22 VAL 19 24.921 17.232 9.624 139 HG23 VAL 19 HG23 VAL 19 23.958 17.478 11.081 140 H MET 20 H MET 20 23.427 21.846 11.691 141 HA MET 20 HA MET 20 25.639 23.648 11.358 142 HB2 MET 20 HB2 MET 20 23.472 24.090 10.296 143 HB3 MET 20 HB3 MET 20 22.714 24.209 11.879 144 HG2 MET 20 HG2 MET 20 24.466 26.079 12.287 145 HG3 MET 20 HG3 MET 20 24.579 26.102 10.529 146 HE1 MET 20 HE1 MET 20 21.871 28.091 9.321 147 HE2 MET 20 HE2 MET 20 23.289 27.076 9.063 148 HE3 MET 20 HE3 MET 20 21.682 26.351 9.105 149 H GLU 21 H GLU 21 23.514 22.675 13.987 150 HA GLU 21 HA GLU 21 24.399 24.673 15.818 151 HB2 GLU 21 HB2 GLU 21 22.266 23.710 16.226 152 HB3 GLU 21 HB3 GLU 21 22.911 22.076 16.163 153 HG2 GLU 21 HG2 GLU 21 23.544 22.105 18.308 154 HG3 GLU 21 HG3 GLU 21 24.107 23.773 18.227 155 H GLU 22 H GLU 22 25.581 21.571 14.839 156 HA GLU 22 HA GLU 22 27.293 21.233 17.143 157 HB2 GLU 22 HB2 GLU 22 27.518 19.703 14.563 158 HB3 GLU 22 HB3 GLU 22 27.953 19.183 16.185 159 HG2 GLU 22 HG2 GLU 22 25.243 19.734 16.350 160 HG3 GLU 22 HG3 GLU 22 25.440 18.956 14.781 161 H GLN 23 H GLN 23 27.553 22.410 13.855 162 HA GLN 23 HA GLN 23 30.439 22.644 14.006 163 HB2 GLN 23 HB2 GLN 23 28.611 22.399 11.921 164 HB3 GLN 23 HB3 GLN 23 29.182 24.058 11.800 165 HG2 GLN 23 HG2 GLN 23 31.530 23.091 11.932 166 HG3 GLN 23 HG3 GLN 23 30.775 21.524 11.647 167 HE21 GLN 23 HE21 GLN 23 29.145 21.624 9.750 168 HE22 GLN 23 HE22 GLN 23 29.737 22.385 8.317 169 H ASP 24 H ASP 24 27.656 24.577 14.616 170 HA ASP 24 HA ASP 24 28.967 27.118 14.370 171 HB2 ASP 24 HB2 ASP 24 26.526 26.867 14.072 172 HB3 ASP 24 HB3 ASP 24 26.378 26.411 15.767 173 H LEU 25 H LEU 25 28.424 24.792 16.916 174 HA LEU 25 HA LEU 25 29.186 26.560 19.046 175 HB2 LEU 25 HB2 LEU 25 28.104 23.929 18.783 176 HB3 LEU 25 HB3 LEU 25 29.514 23.868 19.838 177 HG LEU 25 HG LEU 25 28.503 25.527 21.309 178 HD11 LEU 25 HD11 LEU 25 27.238 26.737 19.567 179 HD12 LEU 25 HD12 LEU 25 26.255 26.330 20.974 180 HD13 LEU 25 HD13 LEU 25 26.103 25.389 19.490 181 HD21 LEU 25 HD21 LEU 25 26.430 24.136 21.938 182 HD22 LEU 25 HD22 LEU 25 28.012 23.359 21.997 183 HD23 LEU 25 HD23 LEU 25 26.935 23.065 20.631 184 H ARG 26 H ARG 26 30.819 24.461 16.838 185 HA ARG 26 HA ARG 26 33.278 24.505 18.415 186 HB2 ARG 26 HB2 ARG 26 34.118 22.849 16.948 187 HB3 ARG 26 HB3 ARG 26 32.438 22.417 17.240 188 HG2 ARG 26 HG2 ARG 26 31.860 23.540 15.083 189 HG3 ARG 26 HG3 ARG 26 33.590 23.720 14.787 190 HD2 ARG 26 HD2 ARG 26 32.622 21.738 13.675 191 HD3 ARG 26 HD3 ARG 26 33.892 21.329 14.828 192 HE ARG 26 HE ARG 26 31.284 21.221 15.992 193 HH11 ARG 26 HH12 ARG 26 33.576 19.471 14.041 194 HH12 ARG 26 HH11 ARG 26 32.946 17.914 14.466 195 HH21 ARG 26 HH22 ARG 26 30.446 19.176 16.559 196 HH22 ARG 26 HH21 ARG 26 31.165 17.747 15.897 197 H ASP 27 H ASP 27 31.876 25.836 15.500 198 HA ASP 27 HA ASP 27 34.130 26.777 14.193 199 HB2 ASP 27 HB2 ASP 27 31.270 27.446 14.230 200 HB3 ASP 27 HB3 ASP 27 32.312 28.783 13.753 201 H ILE 28 H ILE 28 32.418 28.117 16.956 202 HA ILE 28 HA ILE 28 33.535 30.653 17.063 203 HB ILE 28 HB ILE 28 32.861 28.876 19.411 204 HG12 ILE 28 HG12 ILE 28 30.990 29.169 17.819 205 HG13 ILE 28 HG13 ILE 28 30.673 29.947 19.366 206 HG21 ILE 28 HG21 ILE 28 33.765 31.656 19.178 207 HG22 ILE 28 HG22 ILE 28 32.342 31.425 20.193 208 HG23 ILE 28 HG23 ILE 28 33.831 30.550 20.551 209 HD11 ILE 28 HD11 ILE 28 30.606 31.072 16.774 210 HD12 ILE 28 HD12 ILE 28 30.276 31.849 18.322 211 HD13 ILE 28 HD13 ILE 28 31.913 31.846 17.669 212 H GLY 29 H GLY 29 34.962 27.569 17.768 213 HA2 GLY 29 HA2 GLY 29 37.270 28.812 19.071 214 HA3 GLY 29 HA3 GLY 29 36.956 27.088 18.944 215 H ILE 30 H ILE 30 36.310 27.646 15.989 216 HA ILE 30 HA ILE 30 39.078 27.349 15.090 217 HB ILE 30 HB ILE 30 36.600 26.946 13.424 218 HG12 ILE 30 HG12 ILE 30 38.077 24.908 15.105 219 HG13 ILE 30 HG13 ILE 30 36.455 25.518 15.416 220 HG21 ILE 30 HG21 ILE 30 38.043 26.507 11.799 221 HG22 ILE 30 HG22 ILE 30 39.382 26.865 12.888 222 HG23 ILE 30 HG23 ILE 30 38.758 25.220 12.769 223 HD11 ILE 30 HD11 ILE 30 36.075 23.475 14.408 224 HD12 ILE 30 HD12 ILE 30 35.913 24.610 13.067 225 HD13 ILE 30 HD13 ILE 30 37.398 23.679 13.261 226 H SER 31 H SER 31 36.857 29.776 15.406 227 HA SER 31 HA SER 31 37.939 31.247 13.092 228 HB2 SER 31 HB2 SER 31 35.234 30.880 13.988 229 HB3 SER 31 HB3 SER 31 35.651 32.591 14.079 230 HG SER 31 HG SER 31 35.036 31.183 11.930 231 H ASP 32 H ASP 32 38.278 30.924 16.317 232 HA ASP 32 HA ASP 32 38.142 33.422 17.467 233 HB2 ASP 32 HB2 ASP 32 39.625 30.949 17.976 234 HB3 ASP 32 HB3 ASP 32 40.457 32.390 18.554 235 HA PRO 33 HA PRO 33 41.165 35.997 15.605 236 HB2 PRO 33 HB2 PRO 33 42.059 37.430 17.731 237 HB3 PRO 33 HB3 PRO 33 40.459 37.665 17.019 238 HG2 PRO 33 HG2 PRO 33 41.238 36.110 19.455 239 HG3 PRO 33 HG3 PRO 33 39.860 37.200 19.217 240 HD2 PRO 33 HD2 PRO 33 39.624 34.505 19.097 241 HD3 PRO 33 HD3 PRO 33 38.620 35.596 18.121 242 H GLN 34 H GLN 34 42.304 34.601 18.682 243 HA GLN 34 HA GLN 34 45.032 34.884 18.278 244 HB2 GLN 34 HB2 GLN 34 43.470 32.775 19.765 245 HB3 GLN 34 HB3 GLN 34 45.227 32.858 19.798 246 HG2 GLN 34 HG2 GLN 34 44.792 35.333 20.525 247 HG3 GLN 34 HG3 GLN 34 43.218 34.695 20.997 248 HE21 GLN 34 HE21 GLN 34 43.050 33.803 22.931 249 HE22 GLN 34 HE22 GLN 34 44.367 33.305 23.932 250 H HIS 35 H HIS 35 42.800 32.666 16.835 251 HA HIS 35 HA HIS 35 44.462 30.587 16.055 252 HB2 HIS 35 HB2 HIS 35 41.841 31.260 15.605 253 HB3 HIS 35 HB3 HIS 35 42.538 31.418 13.996 254 HD1 HIS 35 HD1 HIS 35 40.501 29.217 14.528 255 HD2 HIS 35 HD2 HIS 35 44.603 28.692 14.920 256 HE1 HIS 35 HE1 HIS 35 40.888 26.745 14.286 257 H ARG 36 H ARG 36 44.254 33.838 14.854 258 HA ARG 36 HA ARG 36 45.619 33.357 12.388 259 HB2 ARG 36 HB2 ARG 36 44.377 35.294 12.270 260 HB3 ARG 36 HB3 ARG 36 44.754 35.763 13.922 261 HG2 ARG 36 HG2 ARG 36 46.689 36.803 13.337 262 HG3 ARG 36 HG3 ARG 36 46.977 35.735 11.962 263 HD2 ARG 36 HD2 ARG 36 46.438 37.759 10.957 264 HD3 ARG 36 HD3 ARG 36 44.913 36.874 10.924 265 HE ARG 36 HE ARG 36 45.079 38.436 13.271 266 HH11 ARG 36 HH12 ARG 36 44.607 38.722 9.834 267 HH12 ARG 36 HH11 ARG 36 43.671 40.175 9.951 268 HH21 ARG 36 HH22 ARG 36 43.848 40.350 13.439 269 HH22 ARG 36 HH21 ARG 36 43.241 41.101 12.002 270 H ARG 37 H ARG 37 46.575 34.159 15.654 271 HA ARG 37 HA ARG 37 49.280 34.834 14.967 272 HB2 ARG 37 HB2 ARG 37 47.883 34.290 17.583 273 HB3 ARG 37 HB3 ARG 37 49.607 34.625 17.488 274 HG2 ARG 37 HG2 ARG 37 49.007 36.775 16.320 275 HG3 ARG 37 HG3 ARG 37 47.331 36.443 16.759 276 HD2 ARG 37 HD2 ARG 37 49.183 36.176 18.995 277 HD3 ARG 37 HD3 ARG 37 49.169 37.795 18.296 278 HE ARG 37 HE ARG 37 47.067 36.536 19.797 279 HH11 ARG 37 HH12 ARG 37 47.831 38.972 17.431 280 HH12 ARG 37 HH11 ARG 37 46.421 39.923 17.763 281 HH21 ARG 37 HH22 ARG 37 45.207 37.778 20.244 282 HH22 ARG 37 HH21 ARG 37 44.930 39.243 19.364 283 H LYS 38 H LYS 38 47.545 31.946 15.841 284 HA LYS 38 HA LYS 38 49.969 30.418 16.300 285 HB2 LYS 38 HB2 LYS 38 47.068 29.984 16.646 286 HB3 LYS 38 HB3 LYS 38 47.997 28.556 16.210 287 HG2 LYS 38 HG2 LYS 38 48.482 28.327 18.359 288 HG3 LYS 38 HG3 LYS 38 49.483 29.774 18.219 289 HD2 LYS 38 HD2 LYS 38 48.021 30.188 20.021 290 HD3 LYS 38 HD3 LYS 38 47.364 31.103 18.662 291 HE2 LYS 38 HE2 LYS 38 45.423 30.074 18.993 292 HE3 LYS 38 HE3 LYS 38 46.194 28.568 18.498 293 HZ1 LYS 38 HZ1 LYS 38 45.760 27.841 20.535 294 HZ2 LYS 38 HZ2 LYS 38 45.311 29.376 21.083 295 HZ3 LYS 38 HZ3 LYS 38 46.937 28.911 21.111 296 H LEU 39 H LEU 39 47.829 31.157 13.710 297 HA LEU 39 HA LEU 39 48.619 28.878 12.102 298 HB2 LEU 39 HB2 LEU 39 46.331 29.973 12.069 299 HB3 LEU 39 HB3 LEU 39 47.089 31.302 11.194 300 HG LEU 39 HG LEU 39 47.830 29.133 9.698 301 HD11 LEU 39 HD11 LEU 39 45.243 28.555 11.053 302 HD12 LEU 39 HD12 LEU 39 46.542 27.460 10.583 303 HD13 LEU 39 HD13 LEU 39 45.443 28.099 9.361 304 HD21 LEU 39 HD21 LEU 39 46.408 30.017 8.050 305 HD22 LEU 39 HD22 LEU 39 46.849 31.393 9.062 306 HD23 LEU 39 HD23 LEU 39 45.267 30.634 9.245 307 H LEU 40 H LEU 40 49.565 32.168 12.585 308 HA LEU 40 HA LEU 40 50.906 32.548 10.105 309 HB2 LEU 40 HB2 LEU 40 50.123 34.302 11.809 310 HB3 LEU 40 HB3 LEU 40 51.619 33.938 12.667 311 HG LEU 40 HG LEU 40 52.515 34.443 10.129 312 HD11 LEU 40 HD11 LEU 40 50.170 36.245 10.696 313 HD12 LEU 40 HD12 LEU 40 50.400 35.189 9.303 314 HD13 LEU 40 HD13 LEU 40 51.433 36.602 9.518 315 HD21 LEU 40 HD21 LEU 40 53.162 36.669 11.085 316 HD22 LEU 40 HD22 LEU 40 53.591 35.278 12.081 317 HD23 LEU 40 HD23 LEU 40 52.193 36.268 12.503 318 H GLN 41 H GLN 41 52.025 31.671 13.364 319 HA GLN 41 HA GLN 41 54.750 31.397 12.638 320 HB2 GLN 41 HB2 GLN 41 53.160 30.328 14.969 321 HB3 GLN 41 HB3 GLN 41 54.896 30.095 14.804 322 HG2 GLN 41 HG2 GLN 41 54.328 32.854 14.443 323 HG3 GLN 41 HG3 GLN 41 53.506 32.298 15.900 324 HE21 GLN 41 HE21 GLN 41 56.553 32.861 14.363 325 HE22 GLN 41 HE22 GLN 41 57.539 32.639 15.764 326 H ALA 42 H ALA 42 51.999 29.312 12.392 327 HA ALA 42 HA ALA 42 53.593 26.921 11.988 328 HB1 ALA 42 HB1 ALA 42 51.517 25.751 11.804 329 HB2 ALA 42 HB2 ALA 42 51.387 26.879 13.154 330 HB3 ALA 42 HB3 ALA 42 50.623 27.259 11.610 331 H ALA 43 H ALA 43 51.946 29.339 10.089 332 HA ALA 43 HA ALA 43 52.135 27.830 7.629 333 HB1 ALA 43 HB1 ALA 43 50.246 29.337 8.008 334 HB2 ALA 43 HB2 ALA 43 51.354 30.708 8.081 335 HB3 ALA 43 HB3 ALA 43 51.168 29.804 6.578 336 H ARG 44 H ARG 44 54.046 30.103 9.386 337 HA ARG 44 HA ARG 44 55.574 31.126 7.226 338 HB2 ARG 44 HB2 ARG 44 55.884 31.053 10.199 339 HB3 ARG 44 HB3 ARG 44 57.265 31.509 9.210 340 HG2 ARG 44 HG2 ARG 44 55.112 32.996 8.224 341 HG3 ARG 44 HG3 ARG 44 54.983 33.063 9.983 342 HD2 ARG 44 HD2 ARG 44 57.394 33.779 8.319 343 HD3 ARG 44 HD3 ARG 44 56.342 34.899 9.184 344 HE ARG 44 HE ARG 44 57.287 33.160 11.090 345 HH11 ARG 44 HH12 ARG 44 58.682 35.374 8.793 346 HH12 ARG 44 HH11 ARG 44 60.071 35.717 9.770 347 HH21 ARG 44 HH22 ARG 44 59.111 33.603 12.385 348 HH22 ARG 44 HH21 ARG 44 60.315 34.708 11.813 349 HN1 NH2 45 HN1 NH2 45 55.862 28.295 9.311 350 HN2 NH2 45 HN2 NH2 45 57.227 27.592 8.510 Start of MODEL 15 1 H1 ACE 1 H1 ACE 1 2.824 0.068 4.413 2 H2 ACE 1 H2 ACE 1 2.969 -0.361 2.692 3 H3 ACE 1 H3 ACE 1 4.431 -0.047 3.656 4 H SER 2 H SER 2 2.072 1.230 1.638 5 HA SER 2 HA SER 2 1.735 3.293 0.739 6 HB2 SER 2 HB2 SER 2 1.052 3.579 3.278 7 HB3 SER 2 HB3 SER 2 2.474 4.622 3.314 8 HG SER 2 HG SER 2 1.185 6.072 2.518 9 H LYS 3 H LYS 3 2.811 5.603 0.593 10 HA LYS 3 HA LYS 3 5.293 5.321 -0.581 11 HB2 LYS 3 HB2 LYS 3 3.494 7.378 -0.258 12 HB3 LYS 3 HB3 LYS 3 4.890 7.953 0.644 13 HG2 LYS 3 HG2 LYS 3 6.246 8.003 -1.232 14 HG3 LYS 3 HG3 LYS 3 5.220 6.878 -2.126 15 HD2 LYS 3 HD2 LYS 3 3.454 8.836 -1.811 16 HD3 LYS 3 HD3 LYS 3 4.925 9.805 -1.703 17 HE2 LYS 3 HE2 LYS 3 5.641 8.610 -3.852 18 HE3 LYS 3 HE3 LYS 3 3.958 8.103 -3.981 19 HZ1 LYS 3 HZ1 LYS 3 3.241 10.287 -4.230 20 HZ2 LYS 3 HZ2 LYS 3 4.648 10.229 -5.167 21 HZ3 LYS 3 HZ3 LYS 3 4.682 10.946 -3.636 22 H LEU 4 H LEU 4 4.530 6.307 2.736 23 HA LEU 4 HA LEU 4 5.831 6.578 4.589 24 HB2 LEU 4 HB2 LEU 4 5.941 4.110 4.141 25 HB3 LEU 4 HB3 LEU 4 7.492 4.391 3.354 26 HG LEU 4 HG LEU 4 7.756 5.562 5.866 27 HD11 LEU 4 HD11 LEU 4 6.529 2.835 6.195 28 HD12 LEU 4 HD12 LEU 4 5.652 4.339 6.470 29 HD13 LEU 4 HD13 LEU 4 7.058 3.946 7.459 30 HD21 LEU 4 HD21 LEU 4 9.476 4.361 4.616 31 HD22 LEU 4 HD22 LEU 4 8.633 2.839 4.907 32 HD23 LEU 4 HD23 LEU 4 9.328 3.736 6.258 33 H LEU 5 H LEU 5 6.486 8.294 2.408 34 HA LEU 5 HA LEU 5 9.407 8.506 2.565 35 HB2 LEU 5 HB2 LEU 5 7.437 9.075 0.542 36 HB3 LEU 5 HB3 LEU 5 8.417 10.502 0.873 37 HG LEU 5 HG LEU 5 9.687 7.849 0.277 38 HD11 LEU 5 HD11 LEU 5 8.045 9.326 -1.504 39 HD12 LEU 5 HD12 LEU 5 9.029 7.901 -1.836 40 HD13 LEU 5 HD13 LEU 5 9.722 9.513 -2.017 41 HD21 LEU 5 HD21 LEU 5 10.562 10.725 0.061 42 HD22 LEU 5 HD22 LEU 5 11.496 9.356 -0.543 43 HD23 LEU 5 HD23 LEU 5 11.162 9.504 1.183 44 H LEU 6 H LEU 6 6.433 10.269 3.230 45 HA LEU 6 HA LEU 6 7.557 12.735 3.939 46 HB2 LEU 6 HB2 LEU 6 5.026 11.686 3.793 47 HB3 LEU 6 HB3 LEU 6 5.232 11.946 5.524 48 HG LEU 6 HG LEU 6 5.785 14.324 5.041 49 HD11 LEU 6 HD11 LEU 6 6.353 13.645 2.568 50 HD12 LEU 6 HD12 LEU 6 5.713 15.243 2.947 51 HD13 LEU 6 HD13 LEU 6 4.643 13.993 2.312 52 HD21 LEU 6 HD21 LEU 6 3.538 15.013 4.791 53 HD22 LEU 6 HD22 LEU 6 3.484 13.458 5.623 54 HD23 LEU 6 HD23 LEU 6 3.110 13.552 3.901 55 H ASN 7 H ASN 7 6.797 9.888 5.919 56 HA ASN 7 HA ASN 7 7.547 10.967 8.396 57 HB2 ASN 7 HB2 ASN 7 7.666 8.084 7.482 58 HB3 ASN 7 HB3 ASN 7 7.712 8.630 9.155 59 HD21 ASN 7 HD21 ASN 7 5.851 9.163 10.175 60 HD22 ASN 7 HD22 ASN 7 4.283 9.004 9.466 61 H GLY 8 H GLY 8 9.427 9.668 5.772 62 HA2 GLY 8 HA2 GLY 8 11.841 9.450 7.374 63 HA3 GLY 8 HA3 GLY 8 11.693 9.112 5.656 64 H PHE 9 H PHE 9 10.415 11.685 5.083 65 HA PHE 9 HA PHE 9 12.816 13.217 4.731 66 HB2 PHE 9 HB2 PHE 9 11.008 13.092 3.018 67 HB3 PHE 9 HB3 PHE 9 9.964 14.002 4.104 68 HD1 PHE 9 HD1 PHE 9 13.093 14.170 2.144 69 HD2 PHE 9 HD2 PHE 9 10.084 16.344 4.228 70 HE1 PHE 9 HE1 PHE 9 13.983 16.273 1.229 71 HE2 PHE 9 HE2 PHE 9 10.970 18.450 3.315 72 HZ PHE 9 HZ PHE 9 12.921 18.417 1.813 73 H ASP 10 H ASP 10 10.411 13.032 7.120 74 HA ASP 10 HA ASP 10 10.608 15.762 8.020 75 HB2 ASP 10 HB2 ASP 10 9.029 13.399 8.694 76 HB3 ASP 10 HB3 ASP 10 9.530 14.311 10.115 77 H ASP 11 H ASP 11 12.253 12.779 8.607 78 HA ASP 11 HA ASP 11 13.494 13.738 11.056 79 HB2 ASP 11 HB2 ASP 11 13.080 11.169 9.802 80 HB3 ASP 11 HB3 ASP 11 14.777 11.381 10.225 81 H VAL 12 H VAL 12 14.270 13.258 7.674 82 HA VAL 12 HA VAL 12 17.081 13.679 7.953 83 HB VAL 12 HB VAL 12 15.971 12.490 6.023 84 HG11 VAL 12 HG11 VAL 12 15.465 15.275 4.993 85 HG12 VAL 12 HG12 VAL 12 15.034 13.745 4.226 86 HG13 VAL 12 HG13 VAL 12 14.217 14.254 5.704 87 HG21 VAL 12 HG21 VAL 12 17.485 13.918 4.324 88 HG22 VAL 12 HG22 VAL 12 18.112 14.517 5.860 89 HG23 VAL 12 HG23 VAL 12 18.152 12.790 5.504 90 H HIS 13 H HIS 13 14.308 15.739 7.534 91 HA HIS 13 HA HIS 13 15.662 18.049 6.615 92 HB2 HIS 13 HB2 HIS 13 13.029 17.352 6.998 93 HB3 HIS 13 HB3 HIS 13 13.290 18.543 8.269 94 HD1 HIS 13 HD1 HIS 13 13.114 20.925 7.584 95 HD2 HIS 13 HD2 HIS 13 13.725 18.406 4.337 96 HE1 HIS 13 HE1 HIS 13 12.921 22.391 5.550 97 H PHE 14 H PHE 14 15.327 16.589 9.724 98 HA PHE 14 HA PHE 14 16.106 18.991 11.157 99 HB2 PHE 14 HB2 PHE 14 14.479 17.438 12.165 100 HB3 PHE 14 HB3 PHE 14 15.695 16.165 12.158 101 HD1 PHE 14 HD1 PHE 14 15.818 19.757 13.154 102 HD2 PHE 14 HD2 PHE 14 16.301 15.692 14.321 103 HE1 PHE 14 HE1 PHE 14 16.589 20.489 15.372 104 HE2 PHE 14 HE2 PHE 14 17.072 16.418 16.541 105 HZ PHE 14 HZ PHE 14 17.217 18.819 17.070 106 H LEU 15 H LEU 15 17.513 15.971 10.068 107 HA LEU 15 HA LEU 15 19.860 15.923 11.542 108 HB2 LEU 15 HB2 LEU 15 18.818 14.641 9.224 109 HB3 LEU 15 HB3 LEU 15 20.479 15.128 8.892 110 HG LEU 15 HG LEU 15 20.273 12.807 9.726 111 HD11 LEU 15 HD11 LEU 15 21.964 13.092 11.598 112 HD12 LEU 15 HD12 LEU 15 21.792 14.829 11.347 113 HD13 LEU 15 HD13 LEU 15 22.378 13.803 10.038 114 HD21 LEU 15 HD21 LEU 15 18.344 13.261 11.236 115 HD22 LEU 15 HD22 LEU 15 19.455 14.079 12.334 116 HD23 LEU 15 HD23 LEU 15 19.655 12.359 11.996 117 H GLY 16 H GLY 16 19.177 17.604 8.490 118 HA2 GLY 16 HA2 GLY 16 21.696 18.591 7.914 119 HA3 GLY 16 HA3 GLY 16 20.197 19.419 7.518 120 H SER 17 H SER 17 19.166 20.499 9.550 121 HA SER 17 HA SER 17 20.761 22.616 10.319 122 HB2 SER 17 HB2 SER 17 18.747 21.898 12.330 123 HB3 SER 17 HB3 SER 17 18.902 23.364 11.363 124 HG SER 17 HG SER 17 17.374 21.133 10.934 125 H ASN 18 H ASN 18 20.451 19.456 11.758 126 HA ASN 18 HA ASN 18 21.696 20.085 14.239 127 HB2 ASN 18 HB2 ASN 18 20.336 17.914 13.250 128 HB3 ASN 18 HB3 ASN 18 21.993 17.320 13.298 129 HD21 ASN 18 HD21 ASN 18 19.196 17.869 15.056 130 HD22 ASN 18 HD22 ASN 18 19.832 17.610 16.641 131 H VAL 19 H VAL 19 22.883 18.469 11.294 132 HA VAL 19 HA VAL 19 25.517 18.080 12.099 133 HB VAL 19 HB VAL 19 24.635 18.719 9.284 134 HG11 VAL 19 HG11 VAL 19 27.073 17.520 10.505 135 HG12 VAL 19 HG12 VAL 19 26.544 16.951 8.921 136 HG13 VAL 19 HG13 VAL 19 26.925 18.656 9.165 137 HG21 VAL 19 HG21 VAL 19 23.889 16.539 10.985 138 HG22 VAL 19 HG22 VAL 19 23.403 16.870 9.322 139 HG23 VAL 19 HG23 VAL 19 24.867 15.940 9.645 140 H MET 20 H MET 20 23.892 20.966 11.076 141 HA MET 20 HA MET 20 26.342 22.430 10.590 142 HB2 MET 20 HB2 MET 20 24.349 22.937 9.265 143 HB3 MET 20 HB3 MET 20 23.469 23.364 10.726 144 HG2 MET 20 HG2 MET 20 25.297 25.122 11.080 145 HG3 MET 20 HG3 MET 20 25.714 24.827 9.394 146 HE1 MET 20 HE1 MET 20 23.664 26.237 11.962 147 HE2 MET 20 HE2 MET 20 23.849 27.759 11.090 148 HE3 MET 20 HE3 MET 20 22.257 27.010 11.230 149 H GLU 21 H GLU 21 23.875 22.190 13.099 150 HA GLU 21 HA GLU 21 24.869 24.330 14.687 151 HB2 GLU 21 HB2 GLU 21 22.597 23.664 14.999 152 HB3 GLU 21 HB3 GLU 21 23.061 21.997 15.308 153 HG2 GLU 21 HG2 GLU 21 23.420 22.380 17.470 154 HG3 GLU 21 HG3 GLU 21 24.291 23.879 17.153 155 H GLU 22 H GLU 22 25.673 20.965 14.370 156 HA GLU 22 HA GLU 22 27.154 20.836 16.840 157 HB2 GLU 22 HB2 GLU 22 27.715 18.594 16.200 158 HB3 GLU 22 HB3 GLU 22 26.019 18.859 15.819 159 HG2 GLU 22 HG2 GLU 22 26.555 19.166 13.482 160 HG3 GLU 22 HG3 GLU 22 28.275 19.012 13.833 161 H GLN 23 H GLN 23 27.835 21.394 13.449 162 HA GLN 23 HA GLN 23 30.702 21.311 13.844 163 HB2 GLN 23 HB2 GLN 23 29.009 20.990 11.648 164 HB3 GLN 23 HB3 GLN 23 29.843 22.509 11.347 165 HG2 GLN 23 HG2 GLN 23 31.989 21.231 11.866 166 HG3 GLN 23 HG3 GLN 23 31.011 19.773 11.703 167 HE21 GLN 23 HE21 GLN 23 29.626 19.787 9.648 168 HE22 GLN 23 HE22 GLN 23 30.441 20.260 8.200 169 H ASP 24 H ASP 24 28.161 23.657 13.815 170 HA ASP 24 HA ASP 24 29.854 25.934 13.385 171 HB2 ASP 24 HB2 ASP 24 27.419 25.894 12.823 172 HB3 ASP 24 HB3 ASP 24 27.063 25.858 14.548 173 H LEU 25 H LEU 25 28.891 24.032 16.100 174 HA LEU 25 HA LEU 25 29.529 26.032 18.074 175 HB2 LEU 25 HB2 LEU 25 28.200 23.531 18.023 176 HB3 LEU 25 HB3 LEU 25 29.529 23.404 19.173 177 HG LEU 25 HG LEU 25 28.654 25.246 20.459 178 HD11 LEU 25 HD11 LEU 25 27.770 26.703 18.830 179 HD12 LEU 25 HD12 LEU 25 26.398 26.187 19.811 180 HD13 LEU 25 HD13 LEU 25 26.662 25.474 18.220 181 HD21 LEU 25 HD21 LEU 25 26.169 23.710 19.981 182 HD22 LEU 25 HD22 LEU 25 27.013 24.067 21.488 183 HD23 LEU 25 HD23 LEU 25 27.609 22.793 20.423 184 H ARG 26 H ARG 26 31.206 23.561 16.344 185 HA ARG 26 HA ARG 26 33.459 23.580 18.195 186 HB2 ARG 26 HB2 ARG 26 34.346 21.766 16.933 187 HB3 ARG 26 HB3 ARG 26 32.623 21.462 17.115 188 HG2 ARG 26 HG2 ARG 26 32.192 22.129 14.867 189 HG3 ARG 26 HG3 ARG 26 33.846 22.710 14.668 190 HD2 ARG 26 HD2 ARG 26 34.251 20.698 13.777 191 HD3 ARG 26 HD3 ARG 26 34.234 20.118 15.442 192 HE ARG 26 HE ARG 26 32.194 19.709 13.428 193 HH11 ARG 26 HH12 ARG 26 33.033 19.591 16.805 194 HH12 ARG 26 HH11 ARG 26 31.769 18.479 17.215 195 HH21 ARG 26 HH22 ARG 26 30.526 18.245 13.955 196 HH22 ARG 26 HH21 ARG 26 30.344 17.713 15.592 197 H ASP 27 H ASP 27 32.520 24.812 15.070 198 HA ASP 27 HA ASP 27 35.044 25.482 14.053 199 HB2 ASP 27 HB2 ASP 27 32.787 25.524 12.853 200 HB3 ASP 27 HB3 ASP 27 32.547 27.107 13.587 201 H ILE 28 H ILE 28 32.939 27.122 16.329 202 HA ILE 28 HA ILE 28 34.075 29.653 16.354 203 HB ILE 28 HB ILE 28 32.974 28.121 18.713 204 HG12 ILE 28 HG12 ILE 28 31.519 30.194 17.091 205 HG13 ILE 28 HG13 ILE 28 31.527 28.503 16.599 206 HG21 ILE 28 HG21 ILE 28 32.478 30.488 19.526 207 HG22 ILE 28 HG22 ILE 28 34.151 29.938 19.612 208 HG23 ILE 28 HG23 ILE 28 33.645 31.019 18.315 209 HD11 ILE 28 HD11 ILE 28 29.990 29.829 18.654 210 HD12 ILE 28 HD12 ILE 28 29.750 28.254 17.898 211 HD13 ILE 28 HD13 ILE 28 30.842 28.415 19.273 212 H GLY 29 H GLY 29 35.306 26.654 17.592 213 HA2 GLY 29 HA2 GLY 29 37.381 27.999 19.149 214 HA3 GLY 29 HA3 GLY 29 37.084 26.268 19.090 215 H ILE 30 H ILE 30 36.953 26.565 16.049 216 HA ILE 30 HA ILE 30 39.836 26.271 15.651 217 HB ILE 30 HB ILE 30 37.674 25.655 13.645 218 HG12 ILE 30 HG12 ILE 30 38.894 23.810 15.711 219 HG13 ILE 30 HG13 ILE 30 37.233 24.394 15.707 220 HG21 ILE 30 HG21 ILE 30 39.365 25.111 12.317 221 HG22 ILE 30 HG22 ILE 30 40.501 25.629 13.562 222 HG23 ILE 30 HG23 ILE 30 39.951 23.954 13.511 223 HD11 ILE 30 HD11 ILE 30 38.533 22.356 13.979 224 HD12 ILE 30 HD12 ILE 30 36.972 22.317 14.798 225 HD13 ILE 30 HD13 ILE 30 37.178 23.285 13.339 226 H SER 31 H SER 31 37.542 28.642 15.359 227 HA SER 31 HA SER 31 39.000 29.951 13.157 228 HB2 SER 31 HB2 SER 31 36.184 29.550 13.562 229 HB3 SER 31 HB3 SER 31 36.534 31.278 13.571 230 HG SER 31 HG SER 31 36.683 31.124 11.492 231 H ASP 32 H ASP 32 38.775 29.911 16.395 232 HA ASP 32 HA ASP 32 38.329 32.458 17.312 233 HB2 ASP 32 HB2 ASP 32 39.730 30.115 18.254 234 HB3 ASP 32 HB3 ASP 32 40.592 31.576 18.726 235 HA PRO 33 HA PRO 33 41.442 35.141 15.782 236 HB2 PRO 33 HB2 PRO 33 41.994 36.687 17.944 237 HB3 PRO 33 HB3 PRO 33 40.483 36.811 17.035 238 HG2 PRO 33 HG2 PRO 33 41.034 35.379 19.605 239 HG3 PRO 33 HG3 PRO 33 39.643 36.384 19.161 240 HD2 PRO 33 HD2 PRO 33 39.559 33.678 19.115 241 HD3 PRO 33 HD3 PRO 33 38.629 34.681 17.984 242 H GLN 34 H GLN 34 42.251 33.855 19.005 243 HA GLN 34 HA GLN 34 44.992 34.291 18.942 244 HB2 GLN 34 HB2 GLN 34 45.066 32.249 20.499 245 HB3 GLN 34 HB3 GLN 34 44.113 33.636 21.010 246 HG2 GLN 34 HG2 GLN 34 42.142 32.537 20.807 247 HG3 GLN 34 HG3 GLN 34 42.712 31.531 19.476 248 HE21 GLN 34 HE21 GLN 34 44.377 29.890 20.089 249 HE22 GLN 34 HE22 GLN 34 44.163 29.068 21.594 250 H HIS 35 H HIS 35 43.088 32.016 17.204 251 HA HIS 35 HA HIS 35 45.044 30.042 16.705 252 HB2 HIS 35 HB2 HIS 35 42.362 30.431 16.048 253 HB3 HIS 35 HB3 HIS 35 43.193 30.414 14.495 254 HD1 HIS 35 HD1 HIS 35 41.396 28.131 14.834 255 HD2 HIS 35 HD2 HIS 35 45.263 28.060 16.352 256 HE1 HIS 35 HE1 HIS 35 41.969 25.697 15.100 257 H ARG 36 H ARG 36 43.807 32.474 14.403 258 HA ARG 36 HA ARG 36 45.867 32.176 12.543 259 HB2 ARG 36 HB2 ARG 36 43.630 33.967 12.966 260 HB3 ARG 36 HB3 ARG 36 45.025 34.835 12.338 261 HG2 ARG 36 HG2 ARG 36 44.556 32.336 10.938 262 HG3 ARG 36 HG3 ARG 36 43.173 33.431 10.863 263 HD2 ARG 36 HD2 ARG 36 45.972 34.351 10.276 264 HD3 ARG 36 HD3 ARG 36 44.944 33.638 9.034 265 HE ARG 36 HE ARG 36 43.712 35.814 10.454 266 HH11 ARG 36 HH12 ARG 36 45.763 34.926 7.784 267 HH12 ARG 36 HH11 ARG 36 45.431 36.366 6.881 268 HH21 ARG 36 HH22 ARG 36 43.267 37.714 9.274 269 HH22 ARG 36 HH21 ARG 36 44.012 37.952 7.730 270 H ARG 37 H ARG 37 45.834 33.758 15.580 271 HA ARG 37 HA ARG 37 48.060 35.511 14.989 272 HB2 ARG 37 HB2 ARG 37 46.194 35.099 17.224 273 HB3 ARG 37 HB3 ARG 37 47.830 35.520 17.713 274 HG2 ARG 37 HG2 ARG 37 47.689 37.476 16.148 275 HG3 ARG 37 HG3 ARG 37 45.978 37.096 15.948 276 HD2 ARG 37 HD2 ARG 37 46.045 37.127 18.596 277 HD3 ARG 37 HD3 ARG 37 47.428 38.182 18.304 278 HE ARG 37 HE ARG 37 44.688 38.851 17.993 279 HH11 ARG 37 HH12 ARG 37 47.841 39.402 16.625 280 HH12 ARG 37 HH11 ARG 37 47.435 40.960 15.985 281 HH21 ARG 37 HH22 ARG 37 44.140 40.901 17.155 282 HH22 ARG 37 HH21 ARG 37 45.330 41.812 16.288 283 H LYS 38 H LYS 38 47.494 32.420 16.541 284 HA LYS 38 HA LYS 38 50.246 32.229 17.455 285 HB2 LYS 38 HB2 LYS 38 48.301 31.359 18.793 286 HB3 LYS 38 HB3 LYS 38 48.085 30.120 17.564 287 HG2 LYS 38 HG2 LYS 38 49.821 28.903 18.301 288 HG3 LYS 38 HG3 LYS 38 50.803 30.325 18.659 289 HD2 LYS 38 HD2 LYS 38 48.434 29.852 20.376 290 HD3 LYS 38 HD3 LYS 38 49.795 28.745 20.564 291 HE2 LYS 38 HE2 LYS 38 50.168 31.724 20.571 292 HE3 LYS 38 HE3 LYS 38 49.738 30.843 22.036 293 HZ1 LYS 38 HZ1 LYS 38 51.925 30.578 22.272 294 HZ2 LYS 38 HZ2 LYS 38 52.261 31.001 20.669 295 HZ3 LYS 38 HZ3 LYS 38 51.813 29.414 21.049 296 H LEU 39 H LEU 39 48.397 31.408 14.707 297 HA LEU 39 HA LEU 39 50.264 29.334 13.847 298 HB2 LEU 39 HB2 LEU 39 47.646 29.378 13.580 299 HB3 LEU 39 HB3 LEU 39 48.029 30.323 12.142 300 HG LEU 39 HG LEU 39 49.600 28.303 11.593 301 HD11 LEU 39 HD11 LEU 39 49.532 26.645 13.067 302 HD12 LEU 39 HD12 LEU 39 47.876 26.339 12.544 303 HD13 LEU 39 HD13 LEU 39 48.183 27.383 13.932 304 HD21 LEU 39 HD21 LEU 39 47.742 27.227 10.397 305 HD22 LEU 39 HD22 LEU 39 47.710 28.983 10.233 306 HD23 LEU 39 HD23 LEU 39 46.596 28.180 11.341 307 H LEU 40 H LEU 40 49.621 32.677 13.412 308 HA LEU 40 HA LEU 40 50.886 32.939 10.851 309 HB2 LEU 40 HB2 LEU 40 49.230 34.547 11.482 310 HB3 LEU 40 HB3 LEU 40 50.108 34.945 12.957 311 HG LEU 40 HG LEU 40 51.632 35.411 10.498 312 HD11 LEU 40 HD11 LEU 40 49.134 37.004 11.052 313 HD12 LEU 40 HD12 LEU 40 49.454 36.007 9.634 314 HD13 LEU 40 HD13 LEU 40 50.406 37.463 9.920 315 HD21 LEU 40 HD21 LEU 40 52.519 36.183 12.549 316 HD22 LEU 40 HD22 LEU 40 50.995 36.943 13.009 317 HD23 LEU 40 HD23 LEU 40 51.954 37.616 11.690 318 H GLN 41 H GLN 41 51.845 33.510 14.212 319 HA GLN 41 HA GLN 41 54.452 34.461 13.547 320 HB2 GLN 41 HB2 GLN 41 52.950 33.841 16.009 321 HB3 GLN 41 HB3 GLN 41 54.694 33.652 16.129 322 HG2 GLN 41 HG2 GLN 41 53.575 36.146 14.946 323 HG3 GLN 41 HG3 GLN 41 53.558 35.928 16.695 324 HE21 GLN 41 HE21 GLN 41 55.044 37.461 17.201 325 HE22 GLN 41 HE22 GLN 41 56.708 37.375 16.745 326 H ALA 42 H ALA 42 53.032 31.345 13.976 327 HA ALA 42 HA ALA 42 55.589 30.010 14.327 328 HB1 ALA 42 HB1 ALA 42 53.388 29.315 15.432 329 HB2 ALA 42 HB2 ALA 42 52.964 28.637 13.860 330 HB3 ALA 42 HB3 ALA 42 54.385 28.046 14.720 331 H ALA 43 H ALA 43 53.306 30.725 11.802 332 HA ALA 43 HA ALA 43 54.447 28.837 9.934 333 HB1 ALA 43 HB1 ALA 43 52.077 29.317 9.808 334 HB2 ALA 43 HB2 ALA 43 52.413 31.027 9.533 335 HB3 ALA 43 HB3 ALA 43 52.876 29.831 8.322 336 H ARG 44 H ARG 44 54.947 32.119 10.867 337 HA ARG 44 HA ARG 44 56.119 33.084 8.479 338 HB2 ARG 44 HB2 ARG 44 55.361 34.235 10.813 339 HB3 ARG 44 HB3 ARG 44 57.104 34.184 11.039 340 HG2 ARG 44 HG2 ARG 44 57.412 35.397 8.938 341 HG3 ARG 44 HG3 ARG 44 55.662 35.452 8.720 342 HD2 ARG 44 HD2 ARG 44 55.656 36.563 11.061 343 HD3 ARG 44 HD3 ARG 44 57.364 36.859 10.741 344 HE ARG 44 HE ARG 44 55.738 37.715 8.571 345 HH11 ARG 44 HH12 ARG 44 56.784 38.590 11.775 346 HH12 ARG 44 HH11 ARG 44 56.581 40.291 11.517 347 HH21 ARG 44 HH22 ARG 44 55.467 39.953 8.221 348 HH22 ARG 44 HH21 ARG 44 55.831 41.065 9.496 349 HN1 NH2 45 HN1 NH2 45 57.391 31.375 11.298 350 HN2 NH2 45 HN2 NH2 45 58.996 31.150 10.687 Start of MODEL 16 1 H1 ACE 1 H1 ACE 1 5.745 -1.547 0.248 2 H2 ACE 1 H2 ACE 1 5.367 -1.112 1.932 3 H3 ACE 1 H3 ACE 1 4.138 -1.912 0.921 4 H SER 2 H SER 2 5.807 1.020 1.662 5 HA SER 2 HA SER 2 4.071 2.509 -0.188 6 HB2 SER 2 HB2 SER 2 3.759 2.449 2.592 7 HB3 SER 2 HB3 SER 2 4.568 3.981 2.262 8 HG SER 2 HG SER 2 2.005 3.292 1.830 9 H LYS 3 H LYS 3 4.842 5.030 0.212 10 HA LYS 3 HA LYS 3 7.524 5.045 -0.855 11 HB2 LYS 3 HB2 LYS 3 5.245 6.868 -0.776 12 HB3 LYS 3 HB3 LYS 3 6.778 7.688 -0.509 13 HG2 LYS 3 HG2 LYS 3 6.971 5.829 -2.703 14 HG3 LYS 3 HG3 LYS 3 5.651 6.975 -2.948 15 HD2 LYS 3 HD2 LYS 3 7.365 8.772 -2.276 16 HD3 LYS 3 HD3 LYS 3 8.578 7.523 -2.569 17 HE2 LYS 3 HE2 LYS 3 6.534 8.512 -4.556 18 HE3 LYS 3 HE3 LYS 3 8.246 8.931 -4.541 19 HZ1 LYS 3 HZ1 LYS 3 6.968 6.627 -5.615 20 HZ2 LYS 3 HZ2 LYS 3 8.179 6.188 -4.519 21 HZ3 LYS 3 HZ3 LYS 3 8.552 7.176 -5.840 22 H LEU 4 H LEU 4 5.953 5.777 2.161 23 HA LEU 4 HA LEU 4 6.711 6.659 4.136 24 HB2 LEU 4 HB2 LEU 4 8.493 5.452 5.072 25 HB3 LEU 4 HB3 LEU 4 7.715 4.351 3.937 26 HG LEU 4 HG LEU 4 9.993 5.864 2.850 27 HD11 LEU 4 HD11 LEU 4 10.675 3.573 4.630 28 HD12 LEU 4 HD12 LEU 4 10.515 5.188 5.319 29 HD13 LEU 4 HD13 LEU 4 11.694 4.887 4.043 30 HD21 LEU 4 HD21 LEU 4 10.083 2.984 2.698 31 HD22 LEU 4 HD22 LEU 4 9.963 4.176 1.404 32 HD23 LEU 4 HD23 LEU 4 8.504 3.599 2.211 33 H LEU 5 H LEU 5 7.187 8.365 1.874 34 HA LEU 5 HA LEU 5 9.819 9.451 2.002 35 HB2 LEU 5 HB2 LEU 5 8.016 9.614 0.136 36 HB3 LEU 5 HB3 LEU 5 7.440 11.000 1.060 37 HG LEU 5 HG LEU 5 10.162 11.463 0.766 38 HD11 LEU 5 HD11 LEU 5 10.803 11.022 -1.407 39 HD12 LEU 5 HD12 LEU 5 9.146 10.787 -1.962 40 HD13 LEU 5 HD13 LEU 5 9.930 9.552 -0.976 41 HD21 LEU 5 HD21 LEU 5 8.093 12.973 0.605 42 HD22 LEU 5 HD22 LEU 5 8.083 12.545 -1.106 43 HD23 LEU 5 HD23 LEU 5 9.483 13.361 -0.409 44 H LEU 6 H LEU 6 6.859 9.994 3.742 45 HA LEU 6 HA LEU 6 7.693 12.508 4.873 46 HB2 LEU 6 HB2 LEU 6 5.413 10.644 5.498 47 HB3 LEU 6 HB3 LEU 6 5.686 12.167 6.343 48 HG LEU 6 HG LEU 6 5.617 12.621 3.508 49 HD11 LEU 6 HD11 LEU 6 4.219 10.478 3.723 50 HD12 LEU 6 HD12 LEU 6 3.506 11.858 2.887 51 HD13 LEU 6 HD13 LEU 6 3.041 11.498 4.550 52 HD21 LEU 6 HD21 LEU 6 5.099 14.059 5.663 53 HD22 LEU 6 HD22 LEU 6 3.458 13.489 5.357 54 HD23 LEU 6 HD23 LEU 6 4.321 14.398 4.116 55 H ASN 7 H ASN 7 7.541 9.137 5.918 56 HA ASN 7 HA ASN 7 8.244 9.530 8.604 57 HB2 ASN 7 HB2 ASN 7 7.582 7.361 7.070 58 HB3 ASN 7 HB3 ASN 7 9.293 7.075 7.370 59 HD21 ASN 7 HD21 ASN 7 7.385 5.373 8.338 60 HD22 ASN 7 HD22 ASN 7 7.313 5.498 10.059 61 H GLY 8 H GLY 8 10.148 9.500 5.693 62 HA2 GLY 8 HA2 GLY 8 12.660 9.318 7.159 63 HA3 GLY 8 HA3 GLY 8 12.475 9.419 5.414 64 H PHE 9 H PHE 9 10.730 11.735 5.491 65 HA PHE 9 HA PHE 9 12.735 13.758 5.506 66 HB2 PHE 9 HB2 PHE 9 10.784 13.738 3.955 67 HB3 PHE 9 HB3 PHE 9 9.735 14.095 5.323 68 HD1 PHE 9 HD2 PHE 9 12.787 15.413 3.636 69 HD2 PHE 9 HD1 PHE 9 9.201 16.286 5.755 70 HE1 PHE 9 HE2 PHE 9 13.181 17.818 3.304 71 HE2 PHE 9 HE1 PHE 9 9.588 18.694 5.425 72 HZ PHE 9 HZ PHE 9 11.581 19.463 4.199 73 H ASP 10 H ASP 10 10.702 12.470 7.901 74 HA ASP 10 HA ASP 10 10.537 14.844 9.525 75 HB2 ASP 10 HB2 ASP 10 9.061 12.567 9.425 76 HB3 ASP 10 HB3 ASP 10 10.103 12.215 10.801 77 H ASP 11 H ASP 11 12.726 12.198 9.127 78 HA ASP 11 HA ASP 11 14.070 12.697 11.657 79 HB2 ASP 11 HB2 ASP 11 14.059 10.563 9.650 80 HB3 ASP 11 HB3 ASP 11 15.669 10.944 10.254 81 H VAL 12 H VAL 12 14.504 13.297 8.234 82 HA VAL 12 HA VAL 12 17.215 14.175 8.428 83 HB VAL 12 HB VAL 12 16.099 13.348 6.321 84 HG11 VAL 12 HG11 VAL 12 14.755 14.827 5.022 85 HG12 VAL 12 HG12 VAL 12 14.045 14.753 6.636 86 HG13 VAL 12 HG13 VAL 12 15.009 16.151 6.158 87 HG21 VAL 12 HG21 VAL 12 17.430 14.704 4.894 88 HG22 VAL 12 HG22 VAL 12 17.374 16.060 6.020 89 HG23 VAL 12 HG23 VAL 12 18.278 14.605 6.438 90 H HIS 13 H HIS 13 14.100 15.683 8.802 91 HA HIS 13 HA HIS 13 14.918 18.374 8.486 92 HB2 HIS 13 HB2 HIS 13 12.510 17.094 8.836 93 HB3 HIS 13 HB3 HIS 13 12.715 17.930 10.372 94 HD1 HIS 13 HD1 HIS 13 12.053 20.324 10.408 95 HD2 HIS 13 HD2 HIS 13 12.688 18.937 6.544 96 HE1 HIS 13 HE1 HIS 13 11.368 22.212 8.895 97 H PHE 14 H PHE 14 15.216 16.103 11.069 98 HA PHE 14 HA PHE 14 15.742 18.143 13.067 99 HB2 PHE 14 HB2 PHE 14 14.561 16.207 13.848 100 HB3 PHE 14 HB3 PHE 14 15.772 15.125 13.168 101 HD1 PHE 14 HD2 PHE 14 16.044 18.172 15.300 102 HD2 PHE 14 HD1 PHE 14 16.818 14.008 14.879 103 HE1 PHE 14 HE2 PHE 14 17.252 18.183 17.443 104 HE2 PHE 14 HE1 PHE 14 18.026 14.012 17.023 105 HZ PHE 14 HZ PHE 14 18.245 16.102 18.307 106 H LEU 15 H LEU 15 17.490 16.005 10.954 107 HA LEU 15 HA LEU 15 19.994 16.080 12.261 108 HB2 LEU 15 HB2 LEU 15 18.906 15.064 9.809 109 HB3 LEU 15 HB3 LEU 15 20.442 15.867 9.492 110 HG LEU 15 HG LEU 15 20.776 13.491 9.834 111 HD11 LEU 15 HD11 LEU 15 22.552 14.962 10.553 112 HD12 LEU 15 HD12 LEU 15 22.426 13.596 11.660 113 HD13 LEU 15 HD13 LEU 15 21.783 15.170 12.126 114 HD21 LEU 15 HD21 LEU 15 19.761 13.829 12.644 115 HD22 LEU 15 HD22 LEU 15 20.170 12.336 11.798 116 HD23 LEU 15 HD23 LEU 15 18.740 13.254 11.325 117 H GLY 16 H GLY 16 18.459 18.186 9.891 118 HA2 GLY 16 HA2 GLY 16 20.661 19.724 9.137 119 HA3 GLY 16 HA3 GLY 16 18.999 20.294 9.162 120 H SER 17 H SER 17 18.236 20.593 11.607 121 HA SER 17 HA SER 17 19.497 22.857 12.570 122 HB2 SER 17 HB2 SER 17 17.931 20.923 14.287 123 HB3 SER 17 HB3 SER 17 18.114 22.661 14.523 124 HG SER 17 HG SER 17 16.216 21.446 13.204 125 H ASN 18 H ASN 18 20.205 19.504 13.175 126 HA ASN 18 HA ASN 18 21.882 19.980 15.455 127 HB2 ASN 18 HB2 ASN 18 20.680 17.747 14.337 128 HB3 ASN 18 HB3 ASN 18 22.392 17.496 14.008 129 HD21 ASN 18 HD21 ASN 18 20.009 16.910 16.160 130 HD22 ASN 18 HD22 ASN 18 20.949 16.688 17.592 131 H VAL 19 H VAL 19 22.429 19.298 12.017 132 HA VAL 19 HA VAL 19 25.237 19.239 12.112 133 HB VAL 19 HB VAL 19 23.450 20.041 9.811 134 HG11 VAL 19 HG11 VAL 19 25.407 19.333 8.423 135 HG12 VAL 19 HG12 VAL 19 25.670 20.803 9.364 136 HG13 VAL 19 HG13 VAL 19 26.362 19.273 9.904 137 HG21 VAL 19 HG21 VAL 19 22.912 17.896 9.616 138 HG22 VAL 19 HG22 VAL 19 24.617 17.451 9.545 139 HG23 VAL 19 HG23 VAL 19 23.798 17.553 11.103 140 H MET 20 H MET 20 22.990 21.858 12.195 141 HA MET 20 HA MET 20 24.914 23.862 11.398 142 HB2 MET 20 HB2 MET 20 22.531 24.149 10.876 143 HB3 MET 20 HB3 MET 20 22.152 24.155 12.593 144 HG2 MET 20 HG2 MET 20 23.800 26.153 12.689 145 HG3 MET 20 HG3 MET 20 23.518 26.237 10.952 146 HE1 MET 20 HE1 MET 20 19.910 25.616 10.988 147 HE2 MET 20 HE2 MET 20 20.117 27.250 10.357 148 HE3 MET 20 HE3 MET 20 21.302 26.001 9.974 149 H GLU 21 H GLU 21 23.447 22.694 14.389 150 HA GLU 21 HA GLU 21 24.565 24.669 16.083 151 HB2 GLU 21 HB2 GLU 21 22.664 23.383 16.825 152 HB3 GLU 21 HB3 GLU 21 23.562 21.880 16.662 153 HG2 GLU 21 HG2 GLU 21 23.447 22.423 18.972 154 HG3 GLU 21 HG3 GLU 21 25.107 22.680 18.436 155 H GLU 22 H GLU 22 25.747 21.641 14.811 156 HA GLU 22 HA GLU 22 27.989 21.479 16.603 157 HB2 GLU 22 HB2 GLU 22 28.724 19.626 15.156 158 HB3 GLU 22 HB3 GLU 22 27.050 19.443 15.660 159 HG2 GLU 22 HG2 GLU 22 26.281 20.220 13.503 160 HG3 GLU 22 HG3 GLU 22 27.943 20.510 12.991 161 H GLN 23 H GLN 23 27.387 22.699 13.367 162 HA GLN 23 HA GLN 23 30.188 23.245 12.883 163 HB2 GLN 23 HB2 GLN 23 27.933 22.884 11.266 164 HB3 GLN 23 HB3 GLN 23 28.365 24.577 11.070 165 HG2 GLN 23 HG2 GLN 23 30.758 23.679 10.697 166 HG3 GLN 23 HG3 GLN 23 29.954 22.136 10.409 167 HE21 GLN 23 HE21 GLN 23 28.094 22.273 8.832 168 HE22 GLN 23 HE22 GLN 23 28.348 23.234 7.419 169 H ASP 24 H ASP 24 27.556 24.809 14.364 170 HA ASP 24 HA ASP 24 28.593 27.491 13.926 171 HB2 ASP 24 HB2 ASP 24 26.133 27.015 13.960 172 HB3 ASP 24 HB3 ASP 24 26.281 26.623 15.671 173 H LEU 25 H LEU 25 28.825 24.959 16.229 174 HA LEU 25 HA LEU 25 29.758 26.741 18.343 175 HB2 LEU 25 HB2 LEU 25 29.467 25.010 19.815 176 HB3 LEU 25 HB3 LEU 25 28.231 24.648 18.612 177 HG LEU 25 HG LEU 25 30.192 23.160 17.608 178 HD11 LEU 25 HD11 LEU 25 31.940 22.850 18.930 179 HD12 LEU 25 HD12 LEU 25 30.886 22.306 20.234 180 HD13 LEU 25 HD13 LEU 25 31.275 24.018 20.072 181 HD21 LEU 25 HD21 LEU 25 27.832 22.646 18.705 182 HD22 LEU 25 HD22 LEU 25 28.853 21.978 19.979 183 HD23 LEU 25 HD23 LEU 25 28.988 21.368 18.329 184 H ARG 26 H ARG 26 30.969 24.623 15.902 185 HA ARG 26 HA ARG 26 33.621 24.496 17.105 186 HB2 ARG 26 HB2 ARG 26 34.143 22.850 15.540 187 HB3 ARG 26 HB3 ARG 26 32.438 22.564 15.859 188 HG2 ARG 26 HG2 ARG 26 31.856 23.784 13.818 189 HG3 ARG 26 HG3 ARG 26 33.571 24.043 13.494 190 HD2 ARG 26 HD2 ARG 26 33.930 21.657 13.311 191 HD3 ARG 26 HD3 ARG 26 32.251 21.344 13.748 192 HE ARG 26 HE ARG 26 31.617 21.876 11.602 193 HH11 ARG 26 HH12 ARG 26 34.935 22.800 12.113 194 HH12 ARG 26 HH11 ARG 26 35.235 23.135 10.440 195 HH21 ARG 26 HH22 ARG 26 32.001 22.314 9.397 196 HH22 ARG 26 HH21 ARG 26 33.565 22.859 8.896 197 H ASP 27 H ASP 27 31.900 26.099 14.524 198 HA ASP 27 HA ASP 27 34.126 27.068 13.087 199 HB2 ASP 27 HB2 ASP 27 31.891 27.071 12.119 200 HB3 ASP 27 HB3 ASP 27 31.335 28.203 13.348 201 H ILE 28 H ILE 28 32.423 28.244 15.917 202 HA ILE 28 HA ILE 28 33.521 30.841 15.980 203 HB ILE 28 HB ILE 28 32.554 29.142 18.282 204 HG12 ILE 28 HG12 ILE 28 31.069 31.338 16.841 205 HG13 ILE 28 HG13 ILE 28 30.937 29.645 16.376 206 HG21 ILE 28 HG21 ILE 28 32.111 31.671 19.066 207 HG22 ILE 28 HG22 ILE 28 33.579 30.776 19.457 208 HG23 ILE 28 HG23 ILE 28 33.570 31.906 18.103 209 HD11 ILE 28 HD11 ILE 28 30.379 30.545 19.176 210 HD12 ILE 28 HD12 ILE 28 29.149 30.610 17.914 211 HD13 ILE 28 HD13 ILE 28 29.870 29.065 18.364 212 H GLY 29 H GLY 29 34.787 27.740 16.868 213 HA2 GLY 29 HA2 GLY 29 37.061 29.007 18.242 214 HA3 GLY 29 HA3 GLY 29 36.621 27.310 18.355 215 H ILE 30 H ILE 30 36.304 28.199 15.188 216 HA ILE 30 HA ILE 30 39.050 27.322 14.569 217 HB ILE 30 HB ILE 30 36.523 26.780 13.005 218 HG12 ILE 30 HG12 ILE 30 38.348 24.710 14.190 219 HG13 ILE 30 HG13 ILE 30 37.106 25.468 15.181 220 HG21 ILE 30 HG21 ILE 30 39.416 26.281 12.399 221 HG22 ILE 30 HG22 ILE 30 38.145 25.285 11.691 222 HG23 ILE 30 HG23 ILE 30 38.180 27.021 11.381 223 HD11 ILE 30 HD11 ILE 30 35.874 23.738 14.462 224 HD12 ILE 30 HD12 ILE 30 35.641 24.758 13.041 225 HD13 ILE 30 HD13 ILE 30 36.865 23.490 13.025 226 H SER 31 H SER 31 36.600 29.678 14.064 227 HA SER 31 HA SER 31 38.152 30.909 11.888 228 HB2 SER 31 HB2 SER 31 35.336 30.564 12.308 229 HB3 SER 31 HB3 SER 31 35.701 32.288 12.253 230 HG SER 31 HG SER 31 36.419 32.093 10.225 231 H ASP 32 H ASP 32 37.946 31.031 15.122 232 HA ASP 32 HA ASP 32 37.548 33.642 15.896 233 HB2 ASP 32 HB2 ASP 32 39.004 31.334 16.954 234 HB3 ASP 32 HB3 ASP 32 39.685 32.877 17.462 235 HA PRO 33 HA PRO 33 40.746 36.113 14.189 236 HB2 PRO 33 HB2 PRO 33 41.195 37.882 16.199 237 HB3 PRO 33 HB3 PRO 33 39.738 37.914 15.199 238 HG2 PRO 33 HG2 PRO 33 40.133 36.767 17.936 239 HG3 PRO 33 HG3 PRO 33 38.778 37.724 17.309 240 HD2 PRO 33 HD2 PRO 33 38.669 35.029 17.553 241 HD3 PRO 33 HD3 PRO 33 37.813 35.908 16.269 242 H GLN 34 H GLN 34 41.379 35.252 17.592 243 HA GLN 34 HA GLN 34 44.116 35.646 17.628 244 HB2 GLN 34 HB2 GLN 34 42.385 33.669 19.103 245 HB3 GLN 34 HB3 GLN 34 44.108 33.823 19.414 246 HG2 GLN 34 HG2 GLN 34 43.891 35.930 20.332 247 HG3 GLN 34 HG3 GLN 34 42.348 36.230 19.532 248 HE21 GLN 34 HE21 GLN 34 43.093 36.471 22.348 249 HE22 GLN 34 HE22 GLN 34 42.001 35.453 23.217 250 H HIS 35 H HIS 35 42.278 33.103 16.156 251 HA HIS 35 HA HIS 35 44.134 31.058 15.969 252 HB2 HIS 35 HB2 HIS 35 41.621 31.500 14.970 253 HB3 HIS 35 HB3 HIS 35 42.596 31.503 13.504 254 HD1 HIS 35 HD1 HIS 35 40.588 29.259 13.947 255 HD2 HIS 35 HD2 HIS 35 44.562 29.050 15.139 256 HE1 HIS 35 HE1 HIS 35 41.113 26.805 14.110 257 H ARG 36 H ARG 36 44.018 34.104 14.296 258 HA ARG 36 HA ARG 36 45.685 33.512 12.119 259 HB2 ARG 36 HB2 ARG 36 44.822 35.976 13.531 260 HB3 ARG 36 HB3 ARG 36 46.259 36.103 12.525 261 HG2 ARG 36 HG2 ARG 36 43.671 34.964 11.513 262 HG3 ARG 36 HG3 ARG 36 44.059 36.684 11.433 263 HD2 ARG 36 HD2 ARG 36 46.221 35.021 10.443 264 HD3 ARG 36 HD3 ARG 36 44.718 34.750 9.562 265 HE ARG 36 HE ARG 36 45.153 37.514 9.826 266 HH11 ARG 36 HH12 ARG 36 46.433 34.736 8.164 267 HH12 ARG 36 HH11 ARG 36 47.016 35.650 6.813 268 HH21 ARG 36 HH22 ARG 36 45.915 38.729 8.052 269 HH22 ARG 36 HH21 ARG 36 46.722 37.922 6.751 270 H ARG 37 H ARG 37 46.523 35.060 15.224 271 HA ARG 37 HA ARG 37 49.304 35.062 14.777 272 HB2 ARG 37 HB2 ARG 37 49.514 35.573 17.142 273 HB3 ARG 37 HB3 ARG 37 48.185 36.491 16.448 274 HG2 ARG 37 HG2 ARG 37 46.577 35.256 17.556 275 HG3 ARG 37 HG3 ARG 37 47.655 33.880 17.795 276 HD2 ARG 37 HD2 ARG 37 48.980 35.816 19.153 277 HD3 ARG 37 HD3 ARG 37 47.308 36.320 19.399 278 HE ARG 37 HE ARG 37 47.042 34.555 20.819 279 HH11 ARG 37 HH12 ARG 37 49.811 33.952 18.798 280 HH12 ARG 37 HH11 ARG 37 50.272 32.508 19.636 281 HH21 ARG 37 HH22 ARG 37 47.638 32.656 21.931 282 HH22 ARG 37 HH21 ARG 37 49.035 31.771 21.418 283 H LYS 38 H LYS 38 47.131 32.582 15.738 284 HA LYS 38 HA LYS 38 49.173 30.913 16.936 285 HB2 LYS 38 HB2 LYS 38 46.241 30.816 16.615 286 HB3 LYS 38 HB3 LYS 38 47.049 29.254 16.581 287 HG2 LYS 38 HG2 LYS 38 48.120 29.813 18.742 288 HG3 LYS 38 HG3 LYS 38 47.175 31.303 18.783 289 HD2 LYS 38 HD2 LYS 38 45.137 29.740 18.481 290 HD3 LYS 38 HD3 LYS 38 46.240 28.464 19.002 291 HE2 LYS 38 HE2 LYS 38 46.556 30.649 20.775 292 HE3 LYS 38 HE3 LYS 38 44.826 30.367 20.584 293 HZ1 LYS 38 HZ1 LYS 38 44.975 28.277 21.473 294 HZ2 LYS 38 HZ2 LYS 38 46.173 29.070 22.366 295 HZ3 LYS 38 HZ3 LYS 38 46.605 28.079 21.064 296 H LEU 39 H LEU 39 47.672 31.367 13.843 297 HA LEU 39 HA LEU 39 48.775 28.872 12.803 298 HB2 LEU 39 HB2 LEU 39 46.455 30.149 12.267 299 HB3 LEU 39 HB3 LEU 39 47.470 30.776 10.970 300 HG LEU 39 HG LEU 39 46.152 28.838 10.258 301 HD11 LEU 39 HD11 LEU 39 47.907 27.657 9.175 302 HD12 LEU 39 HD12 LEU 39 49.068 28.111 10.422 303 HD13 LEU 39 HD13 LEU 39 48.425 29.336 9.328 304 HD21 LEU 39 HD21 LEU 39 46.206 27.786 12.579 305 HD22 LEU 39 HD22 LEU 39 47.793 27.160 12.133 306 HD23 LEU 39 HD23 LEU 39 46.368 26.700 11.199 307 H LEU 40 H LEU 40 49.524 32.203 12.994 308 HA LEU 40 HA LEU 40 51.268 32.217 10.683 309 HB2 LEU 40 HB2 LEU 40 49.947 34.204 11.500 310 HB3 LEU 40 HB3 LEU 40 51.068 34.289 12.857 311 HG LEU 40 HG LEU 40 52.786 34.319 10.748 312 HD11 LEU 40 HD11 LEU 40 51.737 36.147 9.273 313 HD12 LEU 40 HD12 LEU 40 50.194 35.538 9.871 314 HD13 LEU 40 HD13 LEU 40 51.280 34.468 8.984 315 HD21 LEU 40 HD21 LEU 40 53.228 36.512 11.368 316 HD22 LEU 40 HD22 LEU 40 52.477 35.837 12.814 317 HD23 LEU 40 HD23 LEU 40 51.536 36.859 11.727 318 H GLN 41 H GLN 41 51.497 31.727 14.118 319 HA GLN 41 HA GLN 41 54.381 31.971 14.158 320 HB2 GLN 41 HB2 GLN 41 52.271 31.382 16.198 321 HB3 GLN 41 HB3 GLN 41 53.948 30.988 16.551 322 HG2 GLN 41 HG2 GLN 41 53.637 33.674 15.499 323 HG3 GLN 41 HG3 GLN 41 52.712 33.408 16.977 324 HE21 GLN 41 HE21 GLN 41 54.000 34.726 18.222 325 HE22 GLN 41 HE22 GLN 41 55.615 34.306 18.670 326 H ALA 42 H ALA 42 52.022 29.509 13.689 327 HA ALA 42 HA ALA 42 53.927 27.360 14.211 328 HB1 ALA 42 HB1 ALA 42 50.990 27.402 13.583 329 HB2 ALA 42 HB2 ALA 42 51.932 25.910 13.580 330 HB3 ALA 42 HB3 ALA 42 51.794 26.863 15.058 331 H ALA 43 H ALA 43 52.455 29.074 11.568 332 HA ALA 43 HA ALA 43 53.214 27.138 9.569 333 HB1 ALA 43 HB1 ALA 43 52.257 29.974 9.204 334 HB2 ALA 43 HB2 ALA 43 52.340 28.722 7.965 335 HB3 ALA 43 HB3 ALA 43 51.214 28.556 9.312 336 H ARG 44 H ARG 44 54.651 29.866 11.111 337 HA ARG 44 HA ARG 44 56.496 30.596 9.093 338 HB2 ARG 44 HB2 ARG 44 55.781 31.662 11.483 339 HB3 ARG 44 HB3 ARG 44 57.330 30.946 11.905 340 HG2 ARG 44 HG2 ARG 44 58.408 32.202 10.114 341 HG3 ARG 44 HG3 ARG 44 56.853 32.911 9.673 342 HD2 ARG 44 HD2 ARG 44 56.725 34.142 11.665 343 HD3 ARG 44 HD3 ARG 44 57.973 33.170 12.445 344 HE ARG 44 HE ARG 44 59.116 34.422 10.229 345 HH11 ARG 44 HH12 ARG 44 57.738 35.268 13.312 346 HH12 ARG 44 HH11 ARG 44 58.704 36.694 13.499 347 HH21 ARG 44 HH22 ARG 44 60.393 36.297 10.464 348 HH22 ARG 44 HH21 ARG 44 60.214 37.279 11.878 349 HN1 NH2 45 HN1 NH2 45 56.563 28.223 11.709 350 HN2 NH2 45 HN2 NH2 45 58.070 27.488 11.274 Start of MODEL 17 1 H1 ACE 1 H1 ACE 1 8.864 4.247 -1.467 2 H2 ACE 1 H2 ACE 1 10.440 3.514 -1.851 3 H3 ACE 1 H3 ACE 1 9.006 2.481 -1.639 4 H SER 2 H SER 2 11.678 3.888 -0.190 5 HA SER 2 HA SER 2 10.887 2.804 2.402 6 HB2 SER 2 HB2 SER 2 13.369 3.050 0.953 7 HB3 SER 2 HB3 SER 2 13.525 3.785 2.549 8 HG SER 2 HG SER 2 13.399 1.175 1.877 9 H LYS 3 H LYS 3 11.583 5.829 0.833 10 HA LYS 3 HA LYS 3 11.900 7.374 3.212 11 HB2 LYS 3 HB2 LYS 3 12.133 7.802 0.423 12 HB3 LYS 3 HB3 LYS 3 10.954 8.963 1.018 13 HG2 LYS 3 HG2 LYS 3 12.487 10.128 2.193 14 HG3 LYS 3 HG3 LYS 3 13.425 8.691 2.606 15 HD2 LYS 3 HD2 LYS 3 13.405 9.459 -0.246 16 HD3 LYS 3 HD3 LYS 3 14.252 10.555 0.849 17 HE2 LYS 3 HE2 LYS 3 15.448 8.510 1.745 18 HE3 LYS 3 HE3 LYS 3 14.772 7.628 0.377 19 HZ1 LYS 3 HZ1 LYS 3 16.393 8.401 -0.892 20 HZ2 LYS 3 HZ2 LYS 3 17.066 9.210 0.432 21 HZ3 LYS 3 HZ3 LYS 3 15.947 9.999 -0.561 22 H LEU 4 H LEU 4 9.187 6.441 1.205 23 HA LEU 4 HA LEU 4 6.938 6.697 1.432 24 HB2 LEU 4 HB2 LEU 4 7.534 5.647 3.634 25 HB3 LEU 4 HB3 LEU 4 7.543 7.268 4.326 26 HG LEU 4 HG LEU 4 5.062 7.060 3.090 27 HD11 LEU 4 HD11 LEU 4 4.212 4.997 3.306 28 HD12 LEU 4 HD12 LEU 4 5.080 4.684 4.809 29 HD13 LEU 4 HD13 LEU 4 5.900 4.486 3.260 30 HD21 LEU 4 HD21 LEU 4 5.818 8.064 5.317 31 HD22 LEU 4 HD22 LEU 4 5.558 6.454 5.989 32 HD23 LEU 4 HD23 LEU 4 4.215 7.332 5.255 33 H LEU 5 H LEU 5 8.783 9.095 1.100 34 HA LEU 5 HA LEU 5 8.676 11.378 1.058 35 HB2 LEU 5 HB2 LEU 5 6.689 10.384 -0.383 36 HB3 LEU 5 HB3 LEU 5 5.716 11.208 0.833 37 HG LEU 5 HG LEU 5 7.235 13.258 0.198 38 HD11 LEU 5 HD11 LEU 5 7.622 11.332 -2.042 39 HD12 LEU 5 HD12 LEU 5 8.765 12.459 -1.313 40 HD13 LEU 5 HD13 LEU 5 7.507 13.056 -2.395 41 HD21 LEU 5 HD21 LEU 5 4.718 12.207 -0.787 42 HD22 LEU 5 HD22 LEU 5 5.498 13.274 -1.955 43 HD23 LEU 5 HD23 LEU 5 5.153 13.852 -0.324 44 H LEU 6 H LEU 6 8.487 10.214 3.696 45 HA LEU 6 HA LEU 6 7.881 12.485 5.200 46 HB2 LEU 6 HB2 LEU 6 5.567 11.232 4.444 47 HB3 LEU 6 HB3 LEU 6 5.869 10.533 6.033 48 HG LEU 6 HG LEU 6 4.397 12.395 6.298 49 HD11 LEU 6 HD11 LEU 6 5.455 13.377 8.049 50 HD12 LEU 6 HD12 LEU 6 6.932 13.680 7.135 51 HD13 LEU 6 HD13 LEU 6 6.596 12.064 7.756 52 HD21 LEU 6 HD21 LEU 6 6.463 14.108 4.925 53 HD22 LEU 6 HD22 LEU 6 4.884 14.615 5.526 54 HD23 LEU 6 HD23 LEU 6 4.993 13.507 4.157 55 H ASN 7 H ASN 7 8.125 8.985 5.098 56 HA ASN 7 HA ASN 7 8.789 8.663 7.854 57 HB2 ASN 7 HB2 ASN 7 7.864 6.884 6.267 58 HB3 ASN 7 HB3 ASN 7 9.504 6.744 5.640 59 HD21 ASN 7 HD21 ASN 7 10.534 5.086 6.457 60 HD22 ASN 7 HD22 ASN 7 10.401 4.493 8.074 61 H GLY 8 H GLY 8 10.607 9.234 4.915 62 HA2 GLY 8 HA2 GLY 8 13.135 8.935 6.377 63 HA3 GLY 8 HA3 GLY 8 12.964 9.047 4.632 64 H PHE 9 H PHE 9 11.236 11.329 4.616 65 HA PHE 9 HA PHE 9 13.209 13.379 4.749 66 HB2 PHE 9 HB2 PHE 9 10.920 13.064 3.326 67 HB3 PHE 9 HB3 PHE 9 10.372 14.188 4.566 68 HD1 PHE 9 HD2 PHE 9 13.281 13.727 2.272 69 HD2 PHE 9 HD1 PHE 9 10.547 16.424 4.107 70 HE1 PHE 9 HE2 PHE 9 14.283 15.591 1.018 71 HE2 PHE 9 HE1 PHE 9 11.544 18.292 2.855 72 HZ PHE 9 HZ PHE 9 13.416 17.877 1.309 73 H ASP 10 H ASP 10 11.265 11.993 7.087 74 HA ASP 10 HA ASP 10 10.723 14.329 8.661 75 HB2 ASP 10 HB2 ASP 10 9.220 12.545 9.003 76 HB3 ASP 10 HB3 ASP 10 10.521 11.370 9.172 77 H ASP 11 H ASP 11 13.214 11.848 8.586 78 HA ASP 11 HA ASP 11 14.482 12.729 11.006 79 HB2 ASP 11 HB2 ASP 11 14.833 10.582 9.069 80 HB3 ASP 11 HB3 ASP 11 16.371 11.272 9.581 81 H VAL 12 H VAL 12 15.107 13.112 7.539 82 HA VAL 12 HA VAL 12 17.526 14.527 7.767 83 HB VAL 12 HB VAL 12 16.582 13.497 5.662 84 HG11 VAL 12 HG11 VAL 12 14.331 14.547 5.907 85 HG12 VAL 12 HG12 VAL 12 15.060 16.092 5.463 86 HG13 VAL 12 HG13 VAL 12 15.056 14.754 4.313 87 HG21 VAL 12 HG21 VAL 12 17.906 16.128 5.907 88 HG22 VAL 12 HG22 VAL 12 18.461 14.645 5.129 89 HG23 VAL 12 HG23 VAL 12 17.306 15.693 4.306 90 H HIS 13 H HIS 13 14.232 15.495 8.197 91 HA HIS 13 HA HIS 13 14.618 18.294 7.817 92 HB2 HIS 13 HB2 HIS 13 12.433 16.591 8.242 93 HB3 HIS 13 HB3 HIS 13 12.451 17.671 9.633 94 HD1 HIS 13 HD1 HIS 13 10.920 19.556 9.234 95 HD2 HIS 13 HD2 HIS 13 12.891 18.421 5.757 96 HE1 HIS 13 HE1 HIS 13 10.120 21.146 7.458 97 H PHE 14 H PHE 14 15.234 16.108 10.404 98 HA PHE 14 HA PHE 14 15.452 18.269 12.360 99 HB2 PHE 14 HB2 PHE 14 14.345 16.055 12.912 100 HB3 PHE 14 HB3 PHE 14 15.946 15.328 12.824 101 HD1 PHE 14 HD1 PHE 14 14.752 18.540 14.289 102 HD2 PHE 14 HD2 PHE 14 16.598 14.763 14.955 103 HE1 PHE 14 HE1 PHE 14 15.154 19.155 16.637 104 HE2 PHE 14 HE2 PHE 14 17.002 15.371 17.305 105 HZ PHE 14 HZ PHE 14 16.279 17.569 18.149 106 H LEU 15 H LEU 15 17.400 16.168 10.406 107 HA LEU 15 HA LEU 15 19.836 16.433 11.826 108 HB2 LEU 15 HB2 LEU 15 19.064 15.590 9.074 109 HB3 LEU 15 HB3 LEU 15 20.761 15.916 9.422 110 HG LEU 15 HG LEU 15 19.038 13.870 10.821 111 HD11 LEU 15 HD11 LEU 15 19.964 12.244 9.507 112 HD12 LEU 15 HD12 LEU 15 21.401 13.199 9.142 113 HD13 LEU 15 HD13 LEU 15 19.871 13.568 8.346 114 HD21 LEU 15 HD21 LEU 15 21.302 13.127 11.685 115 HD22 LEU 15 HD22 LEU 15 20.646 14.611 12.377 116 HD23 LEU 15 HD23 LEU 15 21.911 14.693 11.150 117 H GLY 16 H GLY 16 18.256 18.357 9.352 118 HA2 GLY 16 HA2 GLY 16 20.453 19.975 8.638 119 HA3 GLY 16 HA3 GLY 16 18.760 20.407 8.451 120 H SER 17 H SER 17 18.013 20.322 11.175 121 HA SER 17 HA SER 17 18.963 22.905 11.990 122 HB2 SER 17 HB2 SER 17 16.632 21.487 12.391 123 HB3 SER 17 HB3 SER 17 17.408 21.409 13.973 124 HG SER 17 HG SER 17 17.072 23.817 12.516 125 H ASN 18 H ASN 18 19.477 19.581 12.991 126 HA ASN 18 HA ASN 18 20.867 20.211 15.399 127 HB2 ASN 18 HB2 ASN 18 19.909 17.876 14.136 128 HB3 ASN 18 HB3 ASN 18 21.647 17.657 14.324 129 HD21 ASN 18 HD21 ASN 18 19.476 16.275 15.651 130 HD22 ASN 18 HD22 ASN 18 19.694 16.535 17.345 131 H VAL 19 H VAL 19 21.934 19.185 12.163 132 HA VAL 19 HA VAL 19 24.668 19.137 12.597 133 HB VAL 19 HB VAL 19 23.270 18.554 10.467 134 HG11 VAL 19 HG11 VAL 19 23.091 20.159 8.798 135 HG12 VAL 19 HG12 VAL 19 22.666 21.057 10.256 136 HG13 VAL 19 HG13 VAL 19 24.276 21.222 9.554 137 HG21 VAL 19 HG21 VAL 19 26.003 19.781 10.137 138 HG22 VAL 19 HG22 VAL 19 25.713 18.191 10.843 139 HG23 VAL 19 HG23 VAL 19 25.277 18.503 9.162 140 H MET 20 H MET 20 22.529 21.856 12.258 141 HA MET 20 HA MET 20 24.566 23.790 11.715 142 HB2 MET 20 HB2 MET 20 22.251 24.188 11.052 143 HB3 MET 20 HB3 MET 20 21.741 24.134 12.734 144 HG2 MET 20 HG2 MET 20 23.353 26.090 13.086 145 HG3 MET 20 HG3 MET 20 23.348 26.231 11.329 146 HE1 MET 20 HE1 MET 20 19.838 25.577 13.711 147 HE2 MET 20 HE2 MET 20 21.413 25.885 14.443 148 HE3 MET 20 HE3 MET 20 20.202 27.167 14.383 149 H GLU 21 H GLU 21 22.916 22.624 14.606 150 HA GLU 21 HA GLU 21 24.026 24.551 16.375 151 HB2 GLU 21 HB2 GLU 21 22.033 23.435 17.058 152 HB3 GLU 21 HB3 GLU 21 22.761 21.851 16.826 153 HG2 GLU 21 HG2 GLU 21 22.604 22.343 19.173 154 HG3 GLU 21 HG3 GLU 21 24.298 22.303 18.686 155 H GLU 22 H GLU 22 25.117 21.491 15.122 156 HA GLU 22 HA GLU 22 27.224 21.168 17.056 157 HB2 GLU 22 HB2 GLU 22 27.202 19.762 14.414 158 HB3 GLU 22 HB3 GLU 22 27.727 19.171 15.984 159 HG2 GLU 22 HG2 GLU 22 25.070 19.624 16.407 160 HG3 GLU 22 HG3 GLU 22 25.096 19.087 14.729 161 H GLN 23 H GLN 23 26.868 22.558 13.870 162 HA GLN 23 HA GLN 23 29.731 22.916 13.546 163 HB2 GLN 23 HB2 GLN 23 27.533 22.750 11.794 164 HB3 GLN 23 HB3 GLN 23 28.154 24.388 11.638 165 HG2 GLN 23 HG2 GLN 23 30.315 23.593 11.036 166 HG3 GLN 23 HG3 GLN 23 29.874 21.932 11.429 167 HE21 GLN 23 HE21 GLN 23 28.096 24.398 9.626 168 HE22 GLN 23 HE22 GLN 23 27.998 23.502 8.152 169 H ASP 24 H ASP 24 27.063 24.622 14.828 170 HA ASP 24 HA ASP 24 28.267 27.243 14.523 171 HB2 ASP 24 HB2 ASP 24 25.791 26.892 14.426 172 HB3 ASP 24 HB3 ASP 24 25.831 26.458 16.133 173 H LEU 25 H LEU 25 28.075 24.715 16.891 174 HA LEU 25 HA LEU 25 29.005 26.394 19.059 175 HB2 LEU 25 HB2 LEU 25 28.620 24.614 20.452 176 HB3 LEU 25 HB3 LEU 25 27.446 24.317 19.172 177 HG LEU 25 HG LEU 25 29.435 22.835 18.217 178 HD11 LEU 25 HD11 LEU 25 30.011 21.827 20.790 179 HD12 LEU 25 HD12 LEU 25 30.351 23.557 20.817 180 HD13 LEU 25 HD13 LEU 25 31.125 22.525 19.614 181 HD21 LEU 25 HD21 LEU 25 27.014 22.320 19.175 182 HD22 LEU 25 HD22 LEU 25 27.961 21.586 20.470 183 HD23 LEU 25 HD23 LEU 25 28.168 21.039 18.805 184 H ARG 26 H ARG 26 30.354 24.409 16.597 185 HA ARG 26 HA ARG 26 32.921 24.175 17.964 186 HB2 ARG 26 HB2 ARG 26 33.563 22.672 16.253 187 HB3 ARG 26 HB3 ARG 26 31.886 22.288 16.615 188 HG2 ARG 26 HG2 ARG 26 31.208 23.653 14.656 189 HG3 ARG 26 HG3 ARG 26 32.917 23.862 14.267 190 HD2 ARG 26 HD2 ARG 26 33.105 21.359 14.204 191 HD3 ARG 26 HD3 ARG 26 31.348 21.292 14.343 192 HE ARG 26 HE ARG 26 31.771 22.930 12.217 193 HH11 ARG 26 HH12 ARG 26 32.820 19.719 13.057 194 HH12 ARG 26 HH11 ARG 26 32.915 19.179 11.413 195 HH21 ARG 26 HH22 ARG 26 31.893 22.232 10.049 196 HH22 ARG 26 HH21 ARG 26 32.388 20.610 9.703 197 H ASP 27 H ASP 27 31.397 25.902 15.329 198 HA ASP 27 HA ASP 27 33.698 26.923 14.086 199 HB2 ASP 27 HB2 ASP 27 31.449 27.023 13.079 200 HB3 ASP 27 HB3 ASP 27 30.960 28.193 14.302 201 H ILE 28 H ILE 28 31.925 27.945 16.925 202 HA ILE 28 HA ILE 28 32.883 30.528 17.247 203 HB ILE 28 HB ILE 28 32.312 28.499 19.410 204 HG12 ILE 28 HG12 ILE 28 30.452 30.704 18.628 205 HG13 ILE 28 HG13 ILE 28 30.524 29.264 17.618 206 HG21 ILE 28 HG21 ILE 28 31.899 30.541 20.804 207 HG22 ILE 28 HG22 ILE 28 33.585 30.268 20.366 208 HG23 ILE 28 HG23 ILE 28 32.640 31.489 19.515 209 HD11 ILE 28 HD11 ILE 28 30.140 27.960 19.782 210 HD12 ILE 28 HD12 ILE 28 29.661 29.513 20.470 211 HD13 ILE 28 HD13 ILE 28 28.781 28.849 19.094 212 H GLY 29 H GLY 29 34.507 27.491 17.667 213 HA2 GLY 29 HA2 GLY 29 36.839 28.908 18.798 214 HA3 GLY 29 HA3 GLY 29 36.498 27.204 19.056 215 H ILE 30 H ILE 30 35.780 28.061 15.901 216 HA ILE 30 HA ILE 30 38.416 27.109 14.985 217 HB ILE 30 HB ILE 30 35.727 26.673 13.679 218 HG12 ILE 30 HG12 ILE 30 37.546 24.515 14.699 219 HG13 ILE 30 HG13 ILE 30 36.457 25.342 15.807 220 HG21 ILE 30 HG21 ILE 30 37.239 25.053 12.295 221 HG22 ILE 30 HG22 ILE 30 37.154 26.764 11.877 222 HG23 ILE 30 HG23 ILE 30 38.528 26.148 12.796 223 HD11 ILE 30 HD11 ILE 30 34.764 24.705 13.793 224 HD12 ILE 30 HD12 ILE 30 35.893 23.350 13.741 225 HD13 ILE 30 HD13 ILE 30 35.030 23.723 15.233 226 H SER 31 H SER 31 36.040 29.570 14.790 227 HA SER 31 HA SER 31 37.354 30.748 12.436 228 HB2 SER 31 HB2 SER 31 34.602 30.549 13.236 229 HB3 SER 31 HB3 SER 31 35.052 32.249 13.118 230 HG SER 31 HG SER 31 35.924 31.693 11.003 231 H ASP 32 H ASP 32 37.557 30.849 15.679 232 HA ASP 32 HA ASP 32 37.414 33.479 16.487 233 HB2 ASP 32 HB2 ASP 32 38.624 31.064 17.453 234 HB3 ASP 32 HB3 ASP 32 39.741 32.405 17.689 235 HA PRO 33 HA PRO 33 40.550 35.739 14.412 236 HB2 PRO 33 HB2 PRO 33 41.330 37.478 16.345 237 HB3 PRO 33 HB3 PRO 33 39.775 37.601 15.513 238 HG2 PRO 33 HG2 PRO 33 40.399 36.435 18.198 239 HG3 PRO 33 HG3 PRO 33 39.046 37.475 17.717 240 HD2 PRO 33 HD2 PRO 33 38.795 34.793 17.993 241 HD3 PRO 33 HD3 PRO 33 37.858 35.723 16.805 242 H GLN 34 H GLN 34 41.502 34.848 17.732 243 HA GLN 34 HA GLN 34 44.244 35.067 17.468 244 HB2 GLN 34 HB2 GLN 34 42.576 33.177 19.122 245 HB3 GLN 34 HB3 GLN 34 44.328 33.257 19.253 246 HG2 GLN 34 HG2 GLN 34 43.950 35.777 19.659 247 HG3 GLN 34 HG3 GLN 34 42.286 35.305 19.999 248 HE21 GLN 34 HE21 GLN 34 45.437 35.552 21.202 249 HE22 GLN 34 HE22 GLN 34 45.179 34.778 22.725 250 H HIS 35 H HIS 35 42.105 32.631 16.231 251 HA HIS 35 HA HIS 35 43.786 30.478 15.844 252 HB2 HIS 35 HB2 HIS 35 41.227 31.085 15.105 253 HB3 HIS 35 HB3 HIS 35 42.044 31.068 13.545 254 HD1 HIS 35 HD1 HIS 35 39.968 28.935 14.109 255 HD2 HIS 35 HD2 HIS 35 44.006 28.463 14.963 256 HE1 HIS 35 HE1 HIS 35 40.354 26.451 14.180 257 H ARG 36 H ARG 36 43.491 33.426 13.929 258 HA ARG 36 HA ARG 36 45.094 32.658 11.760 259 HB2 ARG 36 HB2 ARG 36 45.181 34.954 11.178 260 HB3 ARG 36 HB3 ARG 36 43.613 34.706 11.935 261 HG2 ARG 36 HG2 ARG 36 44.198 36.590 13.027 262 HG3 ARG 36 HG3 ARG 36 45.003 35.435 14.091 263 HD2 ARG 36 HD2 ARG 36 46.735 36.870 13.722 264 HD3 ARG 36 HD3 ARG 36 46.977 35.771 12.365 265 HE ARG 36 HE ARG 36 45.271 37.916 11.637 266 HH11 ARG 36 HH12 ARG 36 48.607 37.129 12.247 267 HH12 ARG 36 HH11 ARG 36 49.225 38.369 11.206 268 HH21 ARG 36 HH22 ARG 36 46.072 39.551 10.264 269 HH22 ARG 36 HH21 ARG 36 47.782 39.747 10.079 270 H ARG 37 H ARG 37 45.903 33.841 14.951 271 HA ARG 37 HA ARG 37 48.662 34.343 14.347 272 HB2 ARG 37 HB2 ARG 37 47.246 34.039 17.002 273 HB3 ARG 37 HB3 ARG 37 48.904 34.591 16.799 274 HG2 ARG 37 HG2 ARG 37 47.991 36.473 15.402 275 HG3 ARG 37 HG3 ARG 37 46.382 35.973 15.929 276 HD2 ARG 37 HD2 ARG 37 47.765 36.094 18.289 277 HD3 ARG 37 HD3 ARG 37 48.472 37.423 17.371 278 HE ARG 37 HE ARG 37 45.823 37.292 18.463 279 HH11 ARG 37 HH12 ARG 37 47.813 38.697 15.976 280 HH12 ARG 37 HH11 ARG 37 46.797 40.085 15.765 281 HH21 ARG 37 HH22 ARG 37 44.478 39.114 18.195 282 HH22 ARG 37 HH21 ARG 37 44.901 40.322 17.029 283 H LYS 38 H LYS 38 46.793 31.661 15.607 284 HA LYS 38 HA LYS 38 49.119 30.126 16.352 285 HB2 LYS 38 HB2 LYS 38 46.262 29.948 16.731 286 HB3 LYS 38 HB3 LYS 38 46.901 28.410 16.166 287 HG2 LYS 38 HG2 LYS 38 47.456 27.976 18.265 288 HG3 LYS 38 HG3 LYS 38 48.689 29.231 18.128 289 HD2 LYS 38 HD2 LYS 38 45.932 30.133 18.711 290 HD3 LYS 38 HD3 LYS 38 46.769 29.261 19.998 291 HE2 LYS 38 HE2 LYS 38 48.701 30.852 19.639 292 HE3 LYS 38 HE3 LYS 38 47.621 31.796 18.615 293 HZ1 LYS 38 HZ1 LYS 38 47.670 32.643 20.877 294 HZ2 LYS 38 HZ2 LYS 38 47.155 31.147 21.476 295 HZ3 LYS 38 HZ3 LYS 38 46.128 32.064 20.492 296 H LEU 39 H LEU 39 47.189 30.582 13.535 297 HA LEU 39 HA LEU 39 48.111 28.127 12.276 298 HB2 LEU 39 HB2 LEU 39 45.812 29.530 12.035 299 HB3 LEU 39 HB3 LEU 39 46.719 30.160 10.661 300 HG LEU 39 HG LEU 39 45.256 28.329 9.997 301 HD11 LEU 39 HD11 LEU 39 47.560 28.720 8.982 302 HD12 LEU 39 HD12 LEU 39 46.804 27.155 8.690 303 HD13 LEU 39 HD13 LEU 39 48.076 27.306 9.901 304 HD21 LEU 39 HD21 LEU 39 46.138 27.177 12.427 305 HD22 LEU 39 HD22 LEU 39 46.644 26.110 11.116 306 HD23 LEU 39 HD23 LEU 39 44.945 26.554 11.288 307 H LEU 40 H LEU 40 48.965 31.453 12.456 308 HA LEU 40 HA LEU 40 50.442 31.535 9.992 309 HB2 LEU 40 HB2 LEU 40 49.536 33.581 10.820 310 HB3 LEU 40 HB3 LEU 40 50.330 33.365 12.379 311 HG LEU 40 HG LEU 40 52.072 33.572 9.987 312 HD11 LEU 40 HD11 LEU 40 50.082 35.372 10.087 313 HD12 LEU 40 HD12 LEU 40 51.704 35.743 9.504 314 HD13 LEU 40 HD13 LEU 40 51.248 36.149 11.158 315 HD21 LEU 40 HD21 LEU 40 53.608 33.895 11.556 316 HD22 LEU 40 HD22 LEU 40 52.365 33.598 12.772 317 HD23 LEU 40 HD23 LEU 40 52.700 35.245 12.236 318 H GLN 41 H GLN 41 51.177 30.998 13.394 319 HA GLN 41 HA GLN 41 54.016 30.963 13.016 320 HB2 GLN 41 HB2 GLN 41 52.173 30.815 15.228 321 HB3 GLN 41 HB3 GLN 41 53.392 29.556 15.370 322 HG2 GLN 41 HG2 GLN 41 55.155 31.221 15.202 323 HG3 GLN 41 HG3 GLN 41 53.948 32.492 15.015 324 HE21 GLN 41 HE21 GLN 41 55.995 32.210 17.044 325 HE22 GLN 41 HE22 GLN 41 55.174 32.156 18.563 326 H ALA 42 H ALA 42 51.458 28.656 12.748 327 HA ALA 42 HA ALA 42 53.223 26.360 12.879 328 HB1 ALA 42 HB1 ALA 42 51.244 25.636 13.685 329 HB2 ALA 42 HB2 ALA 42 50.310 26.798 12.742 330 HB3 ALA 42 HB3 ALA 42 50.912 25.325 11.981 331 H ALA 43 H ALA 43 51.244 27.996 10.418 332 HA ALA 43 HA ALA 43 52.010 26.325 8.272 333 HB1 ALA 43 HB1 ALA 43 51.150 29.191 7.990 334 HB2 ALA 43 HB2 ALA 43 50.912 27.857 6.860 335 HB3 ALA 43 HB3 ALA 43 50.019 27.895 8.381 336 H ARG 44 H ARG 44 53.572 28.961 9.855 337 HA ARG 44 HA ARG 44 55.325 29.645 7.690 338 HB2 ARG 44 HB2 ARG 44 54.929 31.379 9.240 339 HB3 ARG 44 HB3 ARG 44 55.250 30.334 10.617 340 HG2 ARG 44 HG2 ARG 44 57.485 30.620 10.488 341 HG3 ARG 44 HG3 ARG 44 57.481 30.723 8.727 342 HD2 ARG 44 HD2 ARG 44 56.133 32.942 10.097 343 HD3 ARG 44 HD3 ARG 44 57.865 32.827 10.406 344 HE ARG 44 HE ARG 44 57.188 32.633 7.624 345 HH11 ARG 44 HH12 ARG 44 57.843 34.815 10.256 346 HH12 ARG 44 HH11 ARG 44 58.346 36.114 9.226 347 HH21 ARG 44 HH22 ARG 44 57.847 34.336 6.257 348 HH22 ARG 44 HH21 ARG 44 58.347 35.841 6.952 349 HN1 NH2 45 HN1 NH2 45 55.316 27.324 10.284 350 HN2 NH2 45 HN2 NH2 45 56.897 26.672 10.005 Start of MODEL 18 1 H1 ACE 1 H1 ACE 1 -2.532 4.516 4.161 2 H2 ACE 1 H2 ACE 1 -2.714 4.655 5.927 3 H3 ACE 1 H3 ACE 1 -1.482 5.621 5.080 4 H SER 2 H SER 2 0.405 4.721 4.480 5 HA SER 2 HA SER 2 1.429 2.637 6.033 6 HB2 SER 2 HB2 SER 2 -0.110 1.590 4.005 7 HB3 SER 2 HB3 SER 2 1.510 1.552 3.309 8 HG SER 2 HG SER 2 2.202 0.332 5.052 9 H LYS 3 H LYS 3 1.613 4.459 3.041 10 HA LYS 3 HA LYS 3 4.260 4.105 2.340 11 HB2 LYS 3 HB2 LYS 3 2.183 6.063 1.815 12 HB3 LYS 3 HB3 LYS 3 3.771 6.815 1.880 13 HG2 LYS 3 HG2 LYS 3 4.167 6.131 -0.183 14 HG3 LYS 3 HG3 LYS 3 4.024 4.454 0.349 15 HD2 LYS 3 HD2 LYS 3 1.477 4.850 0.134 16 HD3 LYS 3 HD3 LYS 3 1.938 6.244 -0.847 17 HE2 LYS 3 HE2 LYS 3 3.455 3.979 -1.688 18 HE3 LYS 3 HE3 LYS 3 1.752 3.528 -1.623 19 HZ1 LYS 3 HZ1 LYS 3 1.805 4.414 -3.687 20 HZ2 LYS 3 HZ2 LYS 3 3.100 5.449 -3.353 21 HZ3 LYS 3 HZ3 LYS 3 1.540 5.854 -2.839 22 H LEU 4 H LEU 4 2.947 6.652 4.464 23 HA LEU 4 HA LEU 4 3.949 8.015 5.993 24 HB2 LEU 4 HB2 LEU 4 4.035 5.753 7.073 25 HB3 LEU 4 HB3 LEU 4 5.697 5.616 6.503 26 HG LEU 4 HG LEU 4 5.758 7.989 7.858 27 HD11 LEU 4 HD11 LEU 4 3.415 7.510 8.627 28 HD12 LEU 4 HD12 LEU 4 4.594 7.772 9.912 29 HD13 LEU 4 HD13 LEU 4 4.068 6.135 9.519 30 HD21 LEU 4 HD21 LEU 4 7.510 6.543 8.216 31 HD22 LEU 4 HD22 LEU 4 6.453 5.169 8.544 32 HD23 LEU 4 HD23 LEU 4 6.658 6.435 9.756 33 H LEU 5 H LEU 5 4.972 8.299 3.386 34 HA LEU 5 HA LEU 5 7.800 8.288 3.309 35 HB2 LEU 5 HB2 LEU 5 7.613 9.472 1.280 36 HB3 LEU 5 HB3 LEU 5 6.236 8.375 1.344 37 HG LEU 5 HG LEU 5 5.179 10.666 2.393 38 HD11 LEU 5 HD11 LEU 5 7.128 11.451 0.232 39 HD12 LEU 5 HD12 LEU 5 7.154 11.975 1.915 40 HD13 LEU 5 HD13 LEU 5 5.835 12.474 0.857 41 HD21 LEU 5 HD21 LEU 5 5.217 10.102 -0.557 42 HD22 LEU 5 HD22 LEU 5 3.909 10.767 0.421 43 HD23 LEU 5 HD23 LEU 5 4.357 9.069 0.585 44 H LEU 6 H LEU 6 5.455 10.550 4.526 45 HA LEU 6 HA LEU 6 7.033 12.870 4.597 46 HB2 LEU 6 HB2 LEU 6 4.591 11.905 5.953 47 HB3 LEU 6 HB3 LEU 6 5.461 13.216 6.747 48 HG LEU 6 HG LEU 6 3.587 13.955 5.282 49 HD11 LEU 6 HD11 LEU 6 5.706 15.287 5.841 50 HD12 LEU 6 HD12 LEU 6 4.705 15.843 4.500 51 HD13 LEU 6 HD13 LEU 6 6.191 14.948 4.179 52 HD21 LEU 6 HD21 LEU 6 3.950 13.917 2.850 53 HD22 LEU 6 HD22 LEU 6 3.782 12.296 3.526 54 HD23 LEU 6 HD23 LEU 6 5.378 12.911 3.091 55 H ASN 7 H ASN 7 6.432 10.444 7.138 56 HA ASN 7 HA ASN 7 8.067 11.519 9.106 57 HB2 ASN 7 HB2 ASN 7 6.450 9.428 9.088 58 HB3 ASN 7 HB3 ASN 7 7.944 8.550 8.776 59 HD21 ASN 7 HD21 ASN 7 5.942 9.178 11.135 60 HD22 ASN 7 HD22 ASN 7 7.020 9.334 12.476 61 H GLY 8 H GLY 8 8.900 9.745 6.230 62 HA2 GLY 8 HA2 GLY 8 11.581 9.120 7.056 63 HA3 GLY 8 HA3 GLY 8 10.922 8.953 5.435 64 H PHE 9 H PHE 9 10.127 11.553 4.918 65 HA PHE 9 HA PHE 9 12.621 12.738 4.216 66 HB2 PHE 9 HB2 PHE 9 10.283 12.852 3.026 67 HB3 PHE 9 HB3 PHE 9 10.036 14.244 4.075 68 HD1 PHE 9 HD1 PHE 9 12.854 12.929 2.005 69 HD2 PHE 9 HD2 PHE 9 10.383 16.242 3.022 70 HE1 PHE 9 HE1 PHE 9 14.097 14.338 0.417 71 HE2 PHE 9 HE2 PHE 9 11.621 17.657 1.435 72 HZ PHE 9 HZ PHE 9 13.480 16.705 0.129 73 H ASP 10 H ASP 10 10.794 12.813 7.025 74 HA ASP 10 HA ASP 10 11.489 15.513 7.811 75 HB2 ASP 10 HB2 ASP 10 9.709 13.417 8.774 76 HB3 ASP 10 HB3 ASP 10 10.604 14.181 10.084 77 H ASP 11 H ASP 11 12.796 12.338 8.093 78 HA ASP 11 HA ASP 11 14.589 13.102 10.265 79 HB2 ASP 11 HB2 ASP 11 13.671 10.571 9.076 80 HB3 ASP 11 HB3 ASP 11 15.376 10.592 9.520 81 H VAL 12 H VAL 12 14.509 13.364 6.961 82 HA VAL 12 HA VAL 12 17.426 13.110 6.681 83 HB VAL 12 HB VAL 12 15.897 11.878 5.074 84 HG11 VAL 12 HG11 VAL 12 14.895 13.138 3.267 85 HG12 VAL 12 HG12 VAL 12 14.256 13.702 4.812 86 HG13 VAL 12 HG13 VAL 12 15.477 14.650 3.962 87 HG21 VAL 12 HG21 VAL 12 17.415 12.084 3.327 88 HG22 VAL 12 HG22 VAL 12 17.660 13.807 3.610 89 HG23 VAL 12 HG23 VAL 12 18.347 12.624 4.723 90 H HIS 13 H HIS 13 14.822 15.361 6.746 91 HA HIS 13 HA HIS 13 16.262 17.484 5.423 92 HB2 HIS 13 HB2 HIS 13 13.581 16.985 5.999 93 HB3 HIS 13 HB3 HIS 13 14.002 18.346 7.035 94 HD1 HIS 13 HD1 HIS 13 14.397 20.598 5.918 95 HD2 HIS 13 HD2 HIS 13 13.755 17.510 3.214 96 HE1 HIS 13 HE1 HIS 13 14.081 21.714 3.686 97 H PHE 14 H PHE 14 16.067 16.203 8.581 98 HA PHE 14 HA PHE 14 16.887 18.659 9.892 99 HB2 PHE 14 HB2 PHE 14 16.338 17.642 11.853 100 HB3 PHE 14 HB3 PHE 14 15.423 16.582 10.785 101 HD1 PHE 14 HD1 PHE 14 18.391 16.898 12.893 102 HD2 PHE 14 HD2 PHE 14 16.155 14.326 10.344 103 HE1 PHE 14 HE1 PHE 14 19.663 14.967 13.733 104 HE2 PHE 14 HE2 PHE 14 17.423 12.390 11.180 105 HZ PHE 14 HZ PHE 14 19.179 12.709 12.877 106 H LEU 15 H LEU 15 18.325 15.878 8.474 107 HA LEU 15 HA LEU 15 20.718 15.680 9.891 108 HB2 LEU 15 HB2 LEU 15 19.712 14.242 7.960 109 HB3 LEU 15 HB3 LEU 15 20.649 15.318 6.926 110 HG LEU 15 HG LEU 15 21.819 13.213 7.375 111 HD11 LEU 15 HD11 LEU 15 23.444 15.145 8.902 112 HD12 LEU 15 HD12 LEU 15 22.879 15.676 7.318 113 HD13 LEU 15 HD13 LEU 15 23.843 14.207 7.462 114 HD21 LEU 15 HD21 LEU 15 22.433 12.487 9.497 115 HD22 LEU 15 HD22 LEU 15 20.777 13.048 9.726 116 HD23 LEU 15 HD23 LEU 15 22.130 14.061 10.232 117 H GLY 16 H GLY 16 19.947 17.638 7.020 118 HA2 GLY 16 HA2 GLY 16 22.450 18.779 6.610 119 HA3 GLY 16 HA3 GLY 16 20.923 19.541 6.189 120 H SER 17 H SER 17 19.728 20.287 8.359 121 HA SER 17 HA SER 17 21.082 22.515 9.284 122 HB2 SER 17 HB2 SER 17 18.668 22.322 9.482 123 HB3 SER 17 HB3 SER 17 18.836 20.980 10.614 124 HG SER 17 HG SER 17 19.175 23.706 11.018 125 H ASN 18 H ASN 18 21.030 19.249 10.558 126 HA ASN 18 HA ASN 18 22.243 19.819 13.052 127 HB2 ASN 18 HB2 ASN 18 21.076 17.618 11.981 128 HB3 ASN 18 HB3 ASN 18 22.775 17.175 11.840 129 HD21 ASN 18 HD21 ASN 18 20.168 16.912 13.755 130 HD22 ASN 18 HD22 ASN 18 20.934 16.714 15.291 131 H VAL 19 H VAL 19 23.554 18.749 9.932 132 HA VAL 19 HA VAL 19 26.233 18.503 10.735 133 HB VAL 19 HB VAL 19 25.288 19.305 7.983 134 HG11 VAL 19 HG11 VAL 19 27.308 18.165 7.229 135 HG12 VAL 19 HG12 VAL 19 27.701 19.470 8.350 136 HG13 VAL 19 HG13 VAL 19 27.732 17.794 8.899 137 HG21 VAL 19 HG21 VAL 19 25.753 16.549 8.049 138 HG22 VAL 19 HG22 VAL 19 24.777 16.897 9.476 139 HG23 VAL 19 HG23 VAL 19 24.200 17.367 7.877 140 H MET 20 H MET 20 24.294 21.277 10.043 141 HA MET 20 HA MET 20 26.577 23.035 9.687 142 HB2 MET 20 HB2 MET 20 24.554 23.447 8.380 143 HB3 MET 20 HB3 MET 20 23.618 23.633 9.857 144 HG2 MET 20 HG2 MET 20 25.216 25.544 10.416 145 HG3 MET 20 HG3 MET 20 25.709 25.453 8.726 146 HE1 MET 20 HE1 MET 20 23.132 28.091 10.455 147 HE2 MET 20 HE2 MET 20 22.058 26.735 10.802 148 HE3 MET 20 HE3 MET 20 23.753 26.665 11.287 149 H GLU 21 H GLU 21 24.183 22.248 12.141 150 HA GLU 21 HA GLU 21 24.913 24.348 13.927 151 HB2 GLU 21 HB2 GLU 21 22.727 23.417 14.150 152 HB3 GLU 21 HB3 GLU 21 23.367 21.787 14.303 153 HG2 GLU 21 HG2 GLU 21 23.695 21.996 16.496 154 HG3 GLU 21 HG3 GLU 21 24.375 23.615 16.334 155 H GLU 22 H GLU 22 26.097 21.148 13.297 156 HA GLU 22 HA GLU 22 27.578 20.956 15.769 157 HB2 GLU 22 HB2 GLU 22 28.462 18.873 14.833 158 HB3 GLU 22 HB3 GLU 22 26.709 18.932 14.709 159 HG2 GLU 22 HG2 GLU 22 27.285 18.123 12.648 160 HG3 GLU 22 HG3 GLU 22 27.177 19.852 12.324 161 H GLN 23 H GLN 23 28.178 21.893 12.450 162 HA GLN 23 HA GLN 23 31.043 22.077 12.860 163 HB2 GLN 23 HB2 GLN 23 29.401 21.738 10.629 164 HB3 GLN 23 HB3 GLN 23 30.058 23.359 10.451 165 HG2 GLN 23 HG2 GLN 23 32.334 22.288 10.902 166 HG3 GLN 23 HG3 GLN 23 31.523 20.752 10.603 167 HE21 GLN 23 HE21 GLN 23 30.144 20.805 8.536 168 HE22 GLN 23 HE22 GLN 23 30.915 21.479 7.145 169 H ASP 24 H ASP 24 28.284 24.077 13.172 170 HA ASP 24 HA ASP 24 29.684 26.578 12.854 171 HB2 ASP 24 HB2 ASP 24 27.287 26.382 12.306 172 HB3 ASP 24 HB3 ASP 24 26.938 26.017 13.994 173 H LEU 25 H LEU 25 28.900 24.398 15.442 174 HA LEU 25 HA LEU 25 29.494 26.308 17.527 175 HB2 LEU 25 HB2 LEU 25 28.880 24.663 19.042 176 HB3 LEU 25 HB3 LEU 25 27.847 24.349 17.648 177 HG LEU 25 HG LEU 25 29.830 22.666 17.064 178 HD11 LEU 25 HD11 LEU 25 31.304 22.449 18.708 179 HD12 LEU 25 HD12 LEU 25 30.018 21.737 19.682 180 HD13 LEU 25 HD13 LEU 25 30.347 23.467 19.784 181 HD21 LEU 25 HD21 LEU 25 28.400 20.967 17.684 182 HD22 LEU 25 HD22 LEU 25 27.299 22.341 17.580 183 HD23 LEU 25 HD23 LEU 25 27.881 21.793 19.153 184 H ARG 26 H ARG 26 31.180 23.913 15.680 185 HA ARG 26 HA ARG 26 33.454 23.888 17.500 186 HB2 ARG 26 HB2 ARG 26 34.377 22.182 16.078 187 HB3 ARG 26 HB3 ARG 26 32.685 21.802 16.372 188 HG2 ARG 26 HG2 ARG 26 32.558 21.511 14.167 189 HG3 ARG 26 HG3 ARG 26 32.550 23.274 14.075 190 HD2 ARG 26 HD2 ARG 26 34.203 22.297 12.556 191 HD3 ARG 26 HD3 ARG 26 34.966 23.288 13.799 192 HE ARG 26 HE ARG 26 35.982 21.407 14.643 193 HH11 ARG 26 HH12 ARG 26 33.523 20.487 12.356 194 HH12 ARG 26 HH11 ARG 26 34.004 18.823 12.310 195 HH21 ARG 26 HH22 ARG 26 36.624 19.219 14.591 196 HH22 ARG 26 HH21 ARG 26 35.767 18.103 13.583 197 H ASP 27 H ASP 27 32.470 25.265 14.451 198 HA ASP 27 HA ASP 27 34.955 26.010 13.417 199 HB2 ASP 27 HB2 ASP 27 33.084 26.220 11.985 200 HB3 ASP 27 HB3 ASP 27 32.205 27.211 13.146 201 H ILE 28 H ILE 28 32.857 27.622 15.754 202 HA ILE 28 HA ILE 28 34.133 30.078 15.932 203 HB ILE 28 HB ILE 28 32.859 28.518 18.183 204 HG12 ILE 28 HG12 ILE 28 31.375 28.883 16.235 205 HG13 ILE 28 HG13 ILE 28 30.838 29.771 17.657 206 HG21 ILE 28 HG21 ILE 28 32.439 30.960 18.976 207 HG22 ILE 28 HG22 ILE 28 34.000 30.198 19.278 208 HG23 ILE 28 HG23 ILE 28 33.818 31.336 17.943 209 HD11 ILE 28 HD11 ILE 28 30.657 31.070 15.582 210 HD12 ILE 28 HD12 ILE 28 31.736 31.819 16.759 211 HD13 ILE 28 HD13 ILE 28 32.404 30.953 15.376 212 H GLY 29 H GLY 29 35.143 26.965 17.086 213 HA2 GLY 29 HA2 GLY 29 37.192 28.087 18.824 214 HA3 GLY 29 HA3 GLY 29 36.859 26.381 18.571 215 H ILE 30 H ILE 30 36.902 26.898 15.589 216 HA ILE 30 HA ILE 30 39.795 26.612 15.308 217 HB ILE 30 HB ILE 30 37.717 26.208 13.162 218 HG12 ILE 30 HG12 ILE 30 38.874 24.152 15.058 219 HG13 ILE 30 HG13 ILE 30 37.226 24.767 15.107 220 HG21 ILE 30 HG21 ILE 30 39.983 24.514 12.933 221 HG22 ILE 30 HG22 ILE 30 39.458 25.802 11.851 222 HG23 ILE 30 HG23 ILE 30 40.551 26.164 13.187 223 HD11 ILE 30 HD11 ILE 30 36.730 23.769 12.990 224 HD12 ILE 30 HD12 ILE 30 38.415 23.292 12.773 225 HD13 ILE 30 HD13 ILE 30 37.445 22.547 14.042 226 H SER 31 H SER 31 37.484 29.008 15.027 227 HA SER 31 HA SER 31 39.105 30.494 13.065 228 HB2 SER 31 HB2 SER 31 36.268 30.089 13.262 229 HB3 SER 31 HB3 SER 31 36.625 31.807 13.438 230 HG SER 31 HG SER 31 36.405 30.665 11.212 231 H ASP 32 H ASP 32 38.681 30.184 16.267 232 HA ASP 32 HA ASP 32 38.195 32.652 17.366 233 HB2 ASP 32 HB2 ASP 32 39.507 30.219 18.196 234 HB3 ASP 32 HB3 ASP 32 40.361 31.621 18.836 235 HA PRO 33 HA PRO 33 41.417 35.411 16.255 236 HB2 PRO 33 HB2 PRO 33 41.829 36.779 18.564 237 HB3 PRO 33 HB3 PRO 33 40.384 36.990 17.567 238 HG2 PRO 33 HG2 PRO 33 40.751 35.357 20.049 239 HG3 PRO 33 HG3 PRO 33 39.399 36.408 19.592 240 HD2 PRO 33 HD2 PRO 33 39.303 33.715 19.330 241 HD3 PRO 33 HD3 PRO 33 38.458 34.813 18.220 242 H GLN 34 H GLN 34 41.999 33.880 19.420 243 HA GLN 34 HA GLN 34 44.737 34.289 19.583 244 HB2 GLN 34 HB2 GLN 34 44.694 32.117 20.960 245 HB3 GLN 34 HB3 GLN 34 43.717 33.467 21.521 246 HG2 GLN 34 HG2 GLN 34 41.726 32.461 20.860 247 HG3 GLN 34 HG3 GLN 34 42.546 31.332 19.783 248 HE21 GLN 34 HE21 GLN 34 42.606 29.338 20.499 249 HE22 GLN 34 HE22 GLN 34 42.637 28.843 22.154 250 H HIS 35 H HIS 35 42.954 32.167 17.541 251 HA HIS 35 HA HIS 35 44.932 30.230 17.012 252 HB2 HIS 35 HB2 HIS 35 42.310 30.708 16.192 253 HB3 HIS 35 HB3 HIS 35 43.256 30.813 14.710 254 HD1 HIS 35 HD1 HIS 35 41.422 28.533 14.720 255 HD2 HIS 35 HD2 HIS 35 45.167 28.283 16.503 256 HE1 HIS 35 HE1 HIS 35 41.959 26.078 14.816 257 H ARG 36 H ARG 36 43.888 32.867 14.845 258 HA ARG 36 HA ARG 36 46.074 32.704 13.118 259 HB2 ARG 36 HB2 ARG 36 44.126 34.898 13.761 260 HB3 ARG 36 HB3 ARG 36 45.445 35.172 12.631 261 HG2 ARG 36 HG2 ARG 36 44.560 33.045 11.455 262 HG3 ARG 36 HG3 ARG 36 43.088 33.356 12.377 263 HD2 ARG 36 HD2 ARG 36 42.986 35.617 11.424 264 HD3 ARG 36 HD3 ARG 36 44.440 35.278 10.486 265 HE ARG 36 HE ARG 36 42.435 33.342 9.971 266 HH11 ARG 36 HH12 ARG 36 43.326 36.637 9.285 267 HH12 ARG 36 HH11 ARG 36 42.492 36.684 7.767 268 HH21 ARG 36 HH22 ARG 36 41.332 33.392 7.975 269 HH22 ARG 36 HH21 ARG 36 41.357 34.838 7.024 270 H ARG 37 H ARG 37 45.838 34.017 16.276 271 HA ARG 37 HA ARG 37 48.122 35.772 16.008 272 HB2 ARG 37 HB2 ARG 37 46.529 34.907 18.427 273 HB3 ARG 37 HB3 ARG 37 47.832 36.087 18.463 274 HG2 ARG 37 HG2 ARG 37 45.986 36.856 16.443 275 HG3 ARG 37 HG3 ARG 37 45.091 36.506 17.924 276 HD2 ARG 37 HD2 ARG 37 46.074 38.207 19.084 277 HD3 ARG 37 HD3 ARG 37 47.572 38.117 18.158 278 HE ARG 37 HE ARG 37 45.737 39.027 16.366 279 HH11 ARG 37 HH12 ARG 37 46.790 40.059 19.520 280 HH12 ARG 37 HH11 ARG 37 46.476 41.736 19.219 281 HH21 ARG 37 HH22 ARG 37 45.320 41.232 15.958 282 HH22 ARG 37 HH21 ARG 37 45.639 42.402 17.193 283 H LYS 38 H LYS 38 47.419 32.560 17.227 284 HA LYS 38 HA LYS 38 50.102 32.237 18.295 285 HB2 LYS 38 HB2 LYS 38 48.034 31.280 19.393 286 HB3 LYS 38 HB3 LYS 38 47.943 30.141 18.057 287 HG2 LYS 38 HG2 LYS 38 49.651 28.892 18.826 288 HG3 LYS 38 HG3 LYS 38 50.540 30.290 19.437 289 HD2 LYS 38 HD2 LYS 38 49.913 29.109 21.361 290 HD3 LYS 38 HD3 LYS 38 48.733 30.416 21.246 291 HE2 LYS 38 HE2 LYS 38 47.118 28.892 21.310 292 HE3 LYS 38 HE3 LYS 38 47.681 28.287 19.753 293 HZ1 LYS 38 HZ1 LYS 38 48.958 26.647 20.770 294 HZ2 LYS 38 HZ2 LYS 38 47.528 26.646 21.671 295 HZ3 LYS 38 HZ3 LYS 38 48.914 27.396 22.286 296 H LEU 39 H LEU 39 48.432 31.705 15.367 297 HA LEU 39 HA LEU 39 50.324 29.685 14.440 298 HB2 LEU 39 HB2 LEU 39 47.743 29.787 13.999 299 HB3 LEU 39 HB3 LEU 39 48.214 30.894 12.710 300 HG LEU 39 HG LEU 39 49.821 28.539 12.538 301 HD11 LEU 39 HD11 LEU 39 46.869 28.082 12.858 302 HD12 LEU 39 HD12 LEU 39 48.202 27.259 13.667 303 HD13 LEU 39 HD13 LEU 39 47.908 26.984 11.950 304 HD21 LEU 39 HD21 LEU 39 47.627 29.644 10.787 305 HD22 LEU 39 HD22 LEU 39 48.807 28.424 10.308 306 HD23 LEU 39 HD23 LEU 39 49.339 30.060 10.702 307 H LEU 40 H LEU 40 49.764 33.069 14.280 308 HA LEU 40 HA LEU 40 51.246 33.524 11.859 309 HB2 LEU 40 HB2 LEU 40 49.517 35.074 12.483 310 HB3 LEU 40 HB3 LEU 40 50.298 35.382 14.033 311 HG LEU 40 HG LEU 40 52.170 36.030 12.017 312 HD11 LEU 40 HD11 LEU 40 49.691 37.622 11.548 313 HD12 LEU 40 HD12 LEU 40 49.937 36.112 10.672 314 HD13 LEU 40 HD13 LEU 40 51.111 37.419 10.521 315 HD21 LEU 40 HD21 LEU 40 51.585 38.389 12.935 316 HD22 LEU 40 HD22 LEU 40 52.309 37.192 14.009 317 HD23 LEU 40 HD23 LEU 40 50.573 37.499 14.073 318 H GLN 41 H GLN 41 51.896 33.670 15.321 319 HA GLN 41 HA GLN 41 54.537 34.734 15.011 320 HB2 GLN 41 HB2 GLN 41 52.904 34.771 17.079 321 HB3 GLN 41 HB3 GLN 41 53.691 33.246 17.462 322 HG2 GLN 41 HG2 GLN 41 55.862 34.363 17.455 323 HG3 GLN 41 HG3 GLN 41 55.072 35.892 17.073 324 HE21 GLN 41 HE21 GLN 41 56.712 35.348 19.336 325 HE22 GLN 41 HE22 GLN 41 55.735 35.559 20.745 326 H ALA 42 H ALA 42 53.121 31.585 14.965 327 HA ALA 42 HA ALA 42 55.667 30.236 15.375 328 HB1 ALA 42 HB1 ALA 42 52.922 29.128 14.797 329 HB2 ALA 42 HB2 ALA 42 54.357 28.169 15.162 330 HB3 ALA 42 HB3 ALA 42 53.689 29.255 16.381 331 H ALA 43 H ALA 43 53.546 31.182 12.785 332 HA ALA 43 HA ALA 43 54.810 29.489 10.818 333 HB1 ALA 43 HB1 ALA 43 53.397 30.821 9.214 334 HB2 ALA 43 HB2 ALA 43 52.511 29.939 10.459 335 HB3 ALA 43 HB3 ALA 43 52.756 31.679 10.616 336 H ARG 44 H ARG 44 55.286 32.644 12.121 337 HA ARG 44 HA ARG 44 56.631 33.831 9.931 338 HB2 ARG 44 HB2 ARG 44 55.733 34.740 12.326 339 HB3 ARG 44 HB3 ARG 44 57.460 34.643 12.646 340 HG2 ARG 44 HG2 ARG 44 57.911 36.076 10.733 341 HG3 ARG 44 HG3 ARG 44 56.186 36.150 10.372 342 HD2 ARG 44 HD2 ARG 44 56.304 38.050 11.588 343 HD3 ARG 44 HD3 ARG 44 56.145 36.930 12.940 344 HE ARG 44 HE ARG 44 58.288 37.433 13.556 345 HH11 ARG 44 HH12 ARG 44 57.783 38.463 10.269 346 HH12 ARG 44 HH11 ARG 44 59.308 39.277 10.152 347 HH21 ARG 44 HH22 ARG 44 60.298 38.502 13.415 348 HH22 ARG 44 HH21 ARG 44 60.738 39.298 11.942 349 HN1 NH2 45 HN1 NH2 45 57.685 31.814 12.634 350 HN2 NH2 45 HN2 NH2 45 59.325 31.621 12.111 Start of MODEL 19 1 H1 ACE 1 H1 ACE 1 6.637 12.817 -2.872 2 H2 ACE 1 H2 ACE 1 5.346 13.064 -4.072 3 H3 ACE 1 H3 ACE 1 5.235 13.839 -2.473 4 H SER 2 H SER 2 6.453 11.284 -1.391 5 HA SER 2 HA SER 2 3.958 9.715 -1.366 6 HB2 SER 2 HB2 SER 2 6.624 8.458 -0.804 7 HB3 SER 2 HB3 SER 2 5.139 7.706 -1.386 8 HG SER 2 HG SER 2 5.863 8.001 -3.323 9 H LYS 3 H LYS 3 3.752 8.340 0.635 10 HA LYS 3 HA LYS 3 4.232 10.026 2.949 11 HB2 LYS 3 HB2 LYS 3 2.024 9.135 2.782 12 HB3 LYS 3 HB3 LYS 3 2.631 7.504 2.529 13 HG2 LYS 3 HG2 LYS 3 2.670 7.105 4.707 14 HG3 LYS 3 HG3 LYS 3 3.597 8.574 5.021 15 HD2 LYS 3 HD2 LYS 3 1.650 9.880 5.238 16 HD3 LYS 3 HD3 LYS 3 0.635 8.635 4.506 17 HE2 LYS 3 HE2 LYS 3 0.953 7.203 6.435 18 HE3 LYS 3 HE3 LYS 3 2.059 8.373 7.153 19 HZ1 LYS 3 HZ1 LYS 3 0.288 9.927 7.402 20 HZ2 LYS 3 HZ2 LYS 3 -0.231 8.456 8.055 21 HZ3 LYS 3 HZ3 LYS 3 -0.786 8.949 6.535 22 H LEU 4 H LEU 4 5.108 6.811 1.778 23 HA LEU 4 HA LEU 4 6.420 5.883 4.067 24 HB2 LEU 4 HB2 LEU 4 5.808 4.750 1.765 25 HB3 LEU 4 HB3 LEU 4 7.468 5.190 1.368 26 HG LEU 4 HG LEU 4 8.169 3.914 3.434 27 HD11 LEU 4 HD11 LEU 4 6.550 2.179 4.187 28 HD12 LEU 4 HD12 LEU 4 5.296 3.022 3.280 29 HD13 LEU 4 HD13 LEU 4 6.099 3.826 4.629 30 HD21 LEU 4 HD21 LEU 4 7.708 1.663 2.288 31 HD22 LEU 4 HD22 LEU 4 8.627 2.875 1.397 32 HD23 LEU 4 HD23 LEU 4 6.920 2.620 1.034 33 H LEU 5 H LEU 5 7.393 8.163 1.644 34 HA LEU 5 HA LEU 5 10.196 8.058 2.257 35 HB2 LEU 5 HB2 LEU 5 8.445 9.518 0.425 36 HB3 LEU 5 HB3 LEU 5 9.794 10.475 1.035 37 HG LEU 5 HG LEU 5 10.821 7.964 0.198 38 HD11 LEU 5 HD11 LEU 5 8.576 8.103 -1.133 39 HD12 LEU 5 HD12 LEU 5 10.066 7.624 -1.944 40 HD13 LEU 5 HD13 LEU 5 9.462 9.272 -2.111 41 HD21 LEU 5 HD21 LEU 5 11.021 10.748 -0.944 42 HD22 LEU 5 HD22 LEU 5 12.055 9.393 -1.398 43 HD23 LEU 5 HD23 LEU 5 12.090 10.014 0.253 44 H LEU 6 H LEU 6 7.439 9.972 3.272 45 HA LEU 6 HA LEU 6 8.839 12.042 4.569 46 HB2 LEU 6 HB2 LEU 6 6.302 11.734 3.982 47 HB3 LEU 6 HB3 LEU 6 6.223 11.052 5.606 48 HG LEU 6 HG LEU 6 7.594 13.563 5.702 49 HD11 LEU 6 HD11 LEU 6 5.108 13.475 4.058 50 HD12 LEU 6 HD12 LEU 6 6.560 14.453 3.853 51 HD13 LEU 6 HD13 LEU 6 5.400 14.853 5.119 52 HD21 LEU 6 HD21 LEU 6 4.832 13.003 6.723 53 HD22 LEU 6 HD22 LEU 6 6.101 13.999 7.436 54 HD23 LEU 6 HD23 LEU 6 6.248 12.241 7.449 55 H ASN 7 H ASN 7 7.686 8.896 5.699 56 HA ASN 7 HA ASN 7 8.327 9.244 8.419 57 HB2 ASN 7 HB2 ASN 7 6.912 7.399 7.245 58 HB3 ASN 7 HB3 ASN 7 8.454 6.566 7.066 59 HD21 ASN 7 HD21 ASN 7 8.420 4.977 8.495 60 HD22 ASN 7 HD22 ASN 7 8.057 5.143 10.176 61 H GLY 8 H GLY 8 10.256 8.471 5.639 62 HA2 GLY 8 HA2 GLY 8 12.521 7.648 7.298 63 HA3 GLY 8 HA3 GLY 8 12.440 7.575 5.544 64 H PHE 9 H PHE 9 11.335 10.431 5.662 65 HA PHE 9 HA PHE 9 13.916 11.704 5.419 66 HB2 PHE 9 HB2 PHE 9 11.670 12.034 4.016 67 HB3 PHE 9 HB3 PHE 9 11.395 13.278 5.232 68 HD1 PHE 9 HD1 PHE 9 14.232 12.085 3.115 69 HD2 PHE 9 HD2 PHE 9 12.027 15.392 4.638 70 HE1 PHE 9 HE1 PHE 9 15.682 13.626 1.859 71 HE2 PHE 9 HE2 PHE 9 13.473 16.938 3.383 72 HZ PHE 9 HZ PHE 9 15.302 16.055 1.991 73 H ASP 10 H ASP 10 11.340 11.545 7.727 74 HA ASP 10 HA ASP 10 11.642 13.887 9.156 75 HB2 ASP 10 HB2 ASP 10 9.964 11.991 9.522 76 HB3 ASP 10 HB3 ASP 10 11.216 11.218 10.490 77 H ASP 11 H ASP 11 13.378 10.819 9.658 78 HA ASP 11 HA ASP 11 15.011 11.678 11.758 79 HB2 ASP 11 HB2 ASP 11 14.849 9.389 9.998 80 HB3 ASP 11 HB3 ASP 11 16.529 9.839 10.278 81 H VAL 12 H VAL 12 15.230 12.207 8.329 82 HA VAL 12 HA VAL 12 17.974 13.076 8.373 83 HB VAL 12 HB VAL 12 15.894 13.480 6.220 84 HG11 VAL 12 HG11 VAL 12 18.893 13.748 6.236 85 HG12 VAL 12 HG12 VAL 12 17.931 13.654 4.760 86 HG13 VAL 12 HG13 VAL 12 17.697 14.995 5.882 87 HG21 VAL 12 HG21 VAL 12 17.440 11.141 7.046 88 HG22 VAL 12 HG22 VAL 12 16.000 11.249 6.034 89 HG23 VAL 12 HG23 VAL 12 17.593 11.530 5.333 90 H HIS 13 H HIS 13 14.795 14.620 8.297 91 HA HIS 13 HA HIS 13 15.575 17.258 7.903 92 HB2 HIS 13 HB2 HIS 13 13.198 15.877 8.690 93 HB3 HIS 13 HB3 HIS 13 13.422 17.259 9.759 94 HD1 HIS 13 HD1 HIS 13 12.247 19.252 8.922 95 HD2 HIS 13 HD2 HIS 13 13.620 16.866 5.810 96 HE1 HIS 13 HE1 HIS 13 11.527 20.417 6.813 97 H PHE 14 H PHE 14 15.876 15.238 10.698 98 HA PHE 14 HA PHE 14 16.382 17.453 12.498 99 HB2 PHE 14 HB2 PHE 14 15.240 15.279 13.166 100 HB3 PHE 14 HB3 PHE 14 16.826 14.523 13.063 101 HD1 PHE 14 HD2 PHE 14 15.688 17.798 14.435 102 HD2 PHE 14 HD1 PHE 14 17.572 14.055 15.183 103 HE1 PHE 14 HE2 PHE 14 16.170 18.505 16.742 104 HE2 PHE 14 HE1 PHE 14 18.056 14.756 17.491 105 HZ PHE 14 HZ PHE 14 17.356 16.984 18.273 106 H LEU 15 H LEU 15 18.206 14.905 10.869 107 HA LEU 15 HA LEU 15 20.692 15.359 12.080 108 HB2 LEU 15 HB2 LEU 15 19.651 13.860 9.852 109 HB3 LEU 15 HB3 LEU 15 21.198 14.594 9.434 110 HG LEU 15 HG LEU 15 21.413 12.285 10.275 111 HD11 LEU 15 HD11 LEU 15 22.628 14.152 12.281 112 HD12 LEU 15 HD12 LEU 15 23.144 14.145 10.595 113 HD13 LEU 15 HD13 LEU 15 23.308 12.687 11.573 114 HD21 LEU 15 HD21 LEU 15 20.564 13.374 12.949 115 HD22 LEU 15 HD22 LEU 15 20.913 11.700 12.514 116 HD23 LEU 15 HD23 LEU 15 19.474 12.496 11.875 117 H GLY 16 H GLY 16 19.094 16.929 9.371 118 HA2 GLY 16 HA2 GLY 16 21.325 18.360 8.393 119 HA3 GLY 16 HA3 GLY 16 19.639 18.790 8.141 120 H SER 17 H SER 17 18.899 19.161 10.840 121 HA SER 17 HA SER 17 19.908 21.819 11.231 122 HB2 SER 17 HB2 SER 17 17.857 20.111 12.610 123 HB3 SER 17 HB3 SER 17 18.400 21.617 13.349 124 HG SER 17 HG SER 17 16.696 21.236 11.281 125 H ASN 18 H ASN 18 20.445 18.679 12.655 126 HA ASN 18 HA ASN 18 21.834 19.665 14.964 127 HB2 ASN 18 HB2 ASN 18 20.802 17.177 14.105 128 HB3 ASN 18 HB3 ASN 18 22.533 16.947 14.338 129 HD21 ASN 18 HD21 ASN 18 20.251 15.923 15.859 130 HD22 ASN 18 HD22 ASN 18 20.503 16.439 17.489 131 H VAL 19 H VAL 19 22.761 18.348 11.818 132 HA VAL 19 HA VAL 19 25.548 18.276 12.307 133 HB VAL 19 HB VAL 19 24.142 17.196 10.382 134 HG11 VAL 19 HG11 VAL 19 25.132 19.541 8.821 135 HG12 VAL 19 HG12 VAL 19 23.874 18.370 8.417 136 HG13 VAL 19 HG13 VAL 19 23.561 19.624 9.618 137 HG21 VAL 19 HG21 VAL 19 26.943 18.062 10.533 138 HG22 VAL 19 HG22 VAL 19 26.263 16.462 10.235 139 HG23 VAL 19 HG23 VAL 19 26.388 17.626 8.916 140 H MET 20 H MET 20 23.364 20.824 11.497 141 HA MET 20 HA MET 20 25.467 22.608 10.587 142 HB2 MET 20 HB2 MET 20 23.434 22.910 9.430 143 HB3 MET 20 HB3 MET 20 22.488 22.882 10.913 144 HG2 MET 20 HG2 MET 20 22.731 25.069 11.244 145 HG3 MET 20 HG3 MET 20 24.449 25.030 10.850 146 HE1 MET 20 HE1 MET 20 21.462 27.024 9.709 147 HE2 MET 20 HE2 MET 20 23.066 27.428 10.322 148 HE3 MET 20 HE3 MET 20 22.637 27.810 8.654 149 H GLU 21 H GLU 21 23.478 22.070 13.432 150 HA GLU 21 HA GLU 21 24.253 24.457 14.784 151 HB2 GLU 21 HB2 GLU 21 22.205 23.419 15.442 152 HB3 GLU 21 HB3 GLU 21 23.004 21.881 15.736 153 HG2 GLU 21 HG2 GLU 21 23.548 22.443 17.815 154 HG3 GLU 21 HG3 GLU 21 24.127 24.033 17.325 155 H GLU 22 H GLU 22 25.591 21.258 14.490 156 HA GLU 22 HA GLU 22 27.413 21.571 16.706 157 HB2 GLU 22 HB2 GLU 22 28.312 19.410 16.011 158 HB3 GLU 22 HB3 GLU 22 26.557 19.353 16.106 159 HG2 GLU 22 HG2 GLU 22 26.888 18.265 14.138 160 HG3 GLU 22 HG3 GLU 22 26.719 19.918 13.550 161 H GLN 23 H GLN 23 27.458 22.009 13.240 162 HA GLN 23 HA GLN 23 30.332 22.393 13.169 163 HB2 GLN 23 HB2 GLN 23 28.483 21.558 11.304 164 HB3 GLN 23 HB3 GLN 23 28.821 23.208 10.799 165 HG2 GLN 23 HG2 GLN 23 31.326 22.265 11.254 166 HG3 GLN 23 HG3 GLN 23 30.502 20.816 10.680 167 HE21 GLN 23 HE21 GLN 23 29.029 21.318 8.718 168 HE22 GLN 23 HE22 GLN 23 29.775 22.241 7.462 169 H ASP 24 H ASP 24 27.501 24.277 13.587 170 HA ASP 24 HA ASP 24 28.651 26.764 12.698 171 HB2 ASP 24 HB2 ASP 24 26.222 26.365 12.573 172 HB3 ASP 24 HB3 ASP 24 26.156 26.246 14.329 173 H LEU 25 H LEU 25 28.356 25.009 15.697 174 HA LEU 25 HA LEU 25 29.137 27.242 17.344 175 HB2 LEU 25 HB2 LEU 25 28.888 25.822 19.167 176 HB3 LEU 25 HB3 LEU 25 27.669 25.266 18.023 177 HG LEU 25 HG LEU 25 29.631 23.588 17.361 178 HD11 LEU 25 HD11 LEU 25 30.320 23.032 19.979 179 HD12 LEU 25 HD12 LEU 25 30.490 24.783 19.859 180 HD13 LEU 25 HD13 LEU 25 31.367 23.734 18.745 181 HD21 LEU 25 HD21 LEU 25 27.237 23.262 18.347 182 HD22 LEU 25 HD22 LEU 25 28.108 22.954 19.849 183 HD23 LEU 25 HD23 LEU 25 28.415 21.952 18.430 184 H ARG 26 H ARG 26 30.707 24.690 15.618 185 HA ARG 26 HA ARG 26 33.222 25.080 17.045 186 HB2 ARG 26 HB2 ARG 26 34.043 23.186 15.832 187 HB3 ARG 26 HB3 ARG 26 32.429 22.791 16.409 188 HG2 ARG 26 HG2 ARG 26 32.226 22.037 14.288 189 HG3 ARG 26 HG3 ARG 26 31.768 23.718 14.009 190 HD2 ARG 26 HD2 ARG 26 33.612 24.143 12.801 191 HD3 ARG 26 HD3 ARG 26 34.651 23.222 13.888 192 HE ARG 26 HE ARG 26 32.964 21.565 12.265 193 HH11 ARG 26 HH12 ARG 26 35.964 23.329 12.373 194 HH12 ARG 26 HH11 ARG 26 36.731 22.354 11.164 195 HH21 ARG 26 HH22 ARG 26 33.964 20.275 10.672 196 HH22 ARG 26 HH21 ARG 26 35.592 20.618 10.196 197 H ASP 27 H ASP 27 31.728 25.734 13.942 198 HA ASP 27 HA ASP 27 33.921 26.411 12.404 199 HB2 ASP 27 HB2 ASP 27 31.899 26.400 11.249 200 HB3 ASP 27 HB3 ASP 27 31.086 27.386 12.461 201 H ILE 28 H ILE 28 32.204 28.362 14.796 202 HA ILE 28 HA ILE 28 33.421 30.821 14.331 203 HB ILE 28 HB ILE 28 32.585 29.713 17.014 204 HG12 ILE 28 HG12 ILE 28 30.996 31.281 14.970 205 HG13 ILE 28 HG13 ILE 28 30.780 29.575 15.346 206 HG21 ILE 28 HG21 ILE 28 33.960 31.708 17.202 207 HG22 ILE 28 HG22 ILE 28 32.920 32.552 16.055 208 HG23 ILE 28 HG23 ILE 28 32.287 32.070 17.629 209 HD11 ILE 28 HD11 ILE 28 30.273 30.306 17.712 210 HD12 ILE 28 HD12 ILE 28 30.182 31.949 17.076 211 HD13 ILE 28 HD13 ILE 28 29.074 30.711 16.484 212 H GLY 29 H GLY 29 34.669 27.950 15.824 213 HA2 GLY 29 HA2 GLY 29 36.928 29.351 17.015 214 HA3 GLY 29 HA3 GLY 29 36.599 27.627 17.113 215 H ILE 30 H ILE 30 36.180 28.222 13.975 216 HA ILE 30 HA ILE 30 38.939 27.463 13.343 217 HB ILE 30 HB ILE 30 36.827 27.426 11.253 218 HG12 ILE 30 HG12 ILE 30 35.656 26.519 13.211 219 HG13 ILE 30 HG13 ILE 30 35.978 25.256 12.028 220 HG21 ILE 30 HG21 ILE 30 38.011 25.420 10.557 221 HG22 ILE 30 HG22 ILE 30 39.137 26.758 10.777 222 HG23 ILE 30 HG23 ILE 30 39.019 25.495 12.002 223 HD11 ILE 30 HD11 ILE 30 37.754 24.378 13.343 224 HD12 ILE 30 HD12 ILE 30 37.690 25.753 14.447 225 HD13 ILE 30 HD13 ILE 30 36.357 24.598 14.397 226 H SER 31 H SER 31 36.504 29.890 12.665 227 HA SER 31 HA SER 31 38.342 31.269 10.842 228 HB2 SER 31 HB2 SER 31 35.485 30.981 10.953 229 HB3 SER 31 HB3 SER 31 35.904 32.692 11.041 230 HG SER 31 HG SER 31 36.311 32.594 8.994 231 H ASP 32 H ASP 32 37.820 31.160 14.034 232 HA ASP 32 HA ASP 32 37.383 33.711 14.966 233 HB2 ASP 32 HB2 ASP 32 38.421 31.278 16.017 234 HB3 ASP 32 HB3 ASP 32 39.496 32.581 16.518 235 HA PRO 33 HA PRO 33 40.745 36.228 13.689 236 HB2 PRO 33 HB2 PRO 33 40.921 37.943 15.786 237 HB3 PRO 33 HB3 PRO 33 39.604 37.997 14.608 238 HG2 PRO 33 HG2 PRO 33 39.651 36.778 17.342 239 HG3 PRO 33 HG3 PRO 33 38.382 37.747 16.571 240 HD2 PRO 33 HD2 PRO 33 38.260 35.047 16.727 241 HD3 PRO 33 HD3 PRO 33 37.570 35.957 15.368 242 H GLN 34 H GLN 34 40.930 35.215 17.101 243 HA GLN 34 HA GLN 34 43.622 35.645 17.547 244 HB2 GLN 34 HB2 GLN 34 41.767 33.529 18.630 245 HB3 GLN 34 HB3 GLN 34 43.419 33.723 19.202 246 HG2 GLN 34 HG2 GLN 34 42.638 36.221 19.530 247 HG3 GLN 34 HG3 GLN 34 41.049 35.461 19.608 248 HE21 GLN 34 HE21 GLN 34 41.503 36.607 21.807 249 HE22 GLN 34 HE22 GLN 34 42.097 35.565 23.051 250 H HIS 35 H HIS 35 42.086 33.199 15.644 251 HA HIS 35 HA HIS 35 43.977 31.182 15.597 252 HB2 HIS 35 HB2 HIS 35 41.651 31.689 14.247 253 HB3 HIS 35 HB3 HIS 35 42.844 31.825 12.959 254 HD1 HIS 35 HD1 HIS 35 40.854 29.541 12.853 255 HD2 HIS 35 HD2 HIS 35 44.560 29.250 14.709 256 HE1 HIS 35 HE1 HIS 35 41.392 27.085 12.899 257 H ARG 36 H ARG 36 44.100 34.352 14.184 258 HA ARG 36 HA ARG 36 46.094 33.941 12.254 259 HB2 ARG 36 HB2 ARG 36 44.853 36.225 13.595 260 HB3 ARG 36 HB3 ARG 36 46.535 36.508 13.168 261 HG2 ARG 36 HG2 ARG 36 45.309 35.302 10.933 262 HG3 ARG 36 HG3 ARG 36 44.226 36.573 11.505 263 HD2 ARG 36 HD2 ARG 36 45.666 38.226 10.960 264 HD3 ARG 36 HD3 ARG 36 47.085 37.277 11.402 265 HE ARG 36 HE ARG 36 45.989 36.178 9.079 266 HH11 ARG 36 HH12 ARG 36 47.568 39.096 10.133 267 HH12 ARG 36 HH11 ARG 36 48.265 39.434 8.583 268 HH21 ARG 36 HH22 ARG 36 46.901 36.612 7.033 269 HH22 ARG 36 HH21 ARG 36 47.884 38.021 6.821 270 H ARG 37 H ARG 37 46.431 35.231 15.566 271 HA ARG 37 HA ARG 37 49.248 35.233 15.560 272 HB2 ARG 37 HB2 ARG 37 49.120 35.748 17.858 273 HB3 ARG 37 HB3 ARG 37 47.681 36.466 17.147 274 HG2 ARG 37 HG2 ARG 37 46.484 35.413 18.681 275 HG3 ARG 37 HG3 ARG 37 46.919 33.890 17.902 276 HD2 ARG 37 HD2 ARG 37 47.648 33.486 20.035 277 HD3 ARG 37 HD3 ARG 37 49.111 34.163 19.320 278 HE ARG 37 HE ARG 37 47.583 36.237 20.443 279 HH11 ARG 37 HH12 ARG 37 49.515 33.501 21.392 280 HH12 ARG 37 HH11 ARG 37 49.984 34.193 22.910 281 HH21 ARG 37 HH22 ARG 37 48.193 37.159 22.439 282 HH22 ARG 37 HH21 ARG 37 49.231 36.273 23.504 283 H LYS 38 H LYS 38 46.981 32.700 15.881 284 HA LYS 38 HA LYS 38 48.808 30.923 17.278 285 HB2 LYS 38 HB2 LYS 38 46.017 30.557 16.188 286 HB3 LYS 38 HB3 LYS 38 46.940 29.248 16.914 287 HG2 LYS 38 HG2 LYS 38 47.164 30.905 18.919 288 HG3 LYS 38 HG3 LYS 38 45.745 31.661 18.190 289 HD2 LYS 38 HD2 LYS 38 45.404 28.811 18.276 290 HD3 LYS 38 HD3 LYS 38 45.823 29.417 19.880 291 HE2 LYS 38 HE2 LYS 38 43.605 29.796 20.022 292 HE3 LYS 38 HE3 LYS 38 44.009 31.263 19.131 293 HZ1 LYS 38 HZ1 LYS 38 42.587 30.566 17.598 294 HZ2 LYS 38 HZ2 LYS 38 42.426 29.044 18.317 295 HZ3 LYS 38 HZ3 LYS 38 43.676 29.329 17.214 296 H LEU 39 H LEU 39 47.804 31.654 14.045 297 HA LEU 39 HA LEU 39 49.043 29.231 12.983 298 HB2 LEU 39 HB2 LEU 39 46.822 30.555 12.216 299 HB3 LEU 39 HB3 LEU 39 48.010 31.288 11.140 300 HG LEU 39 HG LEU 39 48.516 28.603 10.854 301 HD11 LEU 39 HD11 LEU 39 46.630 27.839 12.050 302 HD12 LEU 39 HD12 LEU 39 46.220 27.684 10.342 303 HD13 LEU 39 HD13 LEU 39 45.570 29.024 11.286 304 HD21 LEU 39 HD21 LEU 39 46.513 29.993 9.121 305 HD22 LEU 39 HD22 LEU 39 47.836 28.919 8.664 306 HD23 LEU 39 HD23 LEU 39 48.179 30.566 9.194 307 H LEU 40 H LEU 40 49.756 32.519 13.562 308 HA LEU 40 HA LEU 40 51.738 32.816 11.505 309 HB2 LEU 40 HB2 LEU 40 50.568 34.448 13.612 310 HB3 LEU 40 HB3 LEU 40 52.303 34.704 13.437 311 HG LEU 40 HG LEU 40 51.092 36.340 12.140 312 HD11 LEU 40 HD11 LEU 40 52.531 36.255 10.428 313 HD12 LEU 40 HD12 LEU 40 51.975 34.664 9.910 314 HD13 LEU 40 HD13 LEU 40 53.146 34.804 11.221 315 HD21 LEU 40 HD21 LEU 40 49.050 35.656 11.484 316 HD22 LEU 40 HD22 LEU 40 49.552 33.975 11.305 317 HD23 LEU 40 HD23 LEU 40 49.907 35.142 10.031 318 H GLN 41 H GLN 41 51.790 32.224 15.003 319 HA GLN 41 HA GLN 41 54.642 32.069 15.140 320 HB2 GLN 41 HB2 GLN 41 52.845 32.554 17.010 321 HB3 GLN 41 HB3 GLN 41 52.885 30.806 17.200 322 HG2 GLN 41 HG2 GLN 41 54.956 30.807 18.096 323 HG3 GLN 41 HG3 GLN 41 55.495 32.177 17.126 324 HE21 GLN 41 HE21 GLN 41 53.528 31.269 19.901 325 HE22 GLN 41 HE22 GLN 41 53.693 32.770 20.740 326 H ALA 42 H ALA 42 52.116 29.868 14.351 327 HA ALA 42 HA ALA 42 53.732 27.504 14.832 328 HB1 ALA 42 HB1 ALA 42 51.298 27.490 15.258 329 HB2 ALA 42 HB2 ALA 42 51.020 27.717 13.531 330 HB3 ALA 42 HB3 ALA 42 51.803 26.247 14.113 331 H ALA 43 H ALA 43 52.867 29.608 12.206 332 HA ALA 43 HA ALA 43 53.821 27.763 10.176 333 HB1 ALA 43 HB1 ALA 43 53.122 29.387 8.576 334 HB2 ALA 43 HB2 ALA 43 51.864 29.277 9.808 335 HB3 ALA 43 HB3 ALA 43 52.989 30.635 9.816 336 H ARG 44 H ARG 44 55.019 30.369 12.090 337 HA ARG 44 HA ARG 44 57.141 31.197 10.401 338 HB2 ARG 44 HB2 ARG 44 56.477 31.534 13.296 339 HB3 ARG 44 HB3 ARG 44 58.096 31.940 12.743 340 HG2 ARG 44 HG2 ARG 44 56.240 33.117 10.951 341 HG3 ARG 44 HG3 ARG 44 55.735 33.494 12.600 342 HD2 ARG 44 HD2 ARG 44 58.604 33.790 11.833 343 HD3 ARG 44 HD3 ARG 44 57.446 35.028 11.350 344 HE ARG 44 HE ARG 44 58.482 34.572 13.975 345 HH11 ARG 44 HH12 ARG 44 55.726 35.734 12.193 346 HH12 ARG 44 HH11 ARG 44 55.172 36.766 13.470 347 HH21 ARG 44 HH22 ARG 44 57.763 35.927 15.662 348 HH22 ARG 44 HH21 ARG 44 56.332 36.876 15.442 349 HN1 NH2 45 HN1 NH2 45 56.800 28.691 12.860 350 HN2 NH2 45 HN2 NH2 45 58.363 27.977 12.638 Start of MODEL 20 1 H1 ACE 1 H1 ACE 1 10.542 1.931 0.444 2 H2 ACE 1 H2 ACE 1 11.550 3.166 -0.350 3 H3 ACE 1 H3 ACE 1 10.748 3.531 1.197 4 H SER 2 H SER 2 10.416 5.220 -0.839 5 HA SER 2 HA SER 2 8.888 6.259 -2.177 6 HB2 SER 2 HB2 SER 2 8.828 3.912 -3.269 7 HB3 SER 2 HB3 SER 2 7.312 3.704 -2.394 8 HG SER 2 HG SER 2 6.918 4.535 -4.459 9 H LYS 3 H LYS 3 6.895 3.810 -0.524 10 HA LYS 3 HA LYS 3 4.869 5.673 0.157 11 HB2 LYS 3 HB2 LYS 3 5.249 2.857 0.295 12 HB3 LYS 3 HB3 LYS 3 4.780 3.410 1.897 13 HG2 LYS 3 HG2 LYS 3 3.244 4.307 -0.501 14 HG3 LYS 3 HG3 LYS 3 2.961 2.709 0.194 15 HD2 LYS 3 HD2 LYS 3 2.547 3.786 2.387 16 HD3 LYS 3 HD3 LYS 3 2.723 5.362 1.612 17 HE2 LYS 3 HE2 LYS 3 0.894 4.232 -0.012 18 HE3 LYS 3 HE3 LYS 3 0.499 3.425 1.505 19 HZ1 LYS 3 HZ1 LYS 3 -0.714 5.550 1.077 20 HZ2 LYS 3 HZ2 LYS 3 0.756 6.368 1.255 21 HZ3 LYS 3 HZ3 LYS 3 0.113 5.494 2.553 22 H LEU 4 H LEU 4 7.792 4.643 1.711 23 HA LEU 4 HA LEU 4 7.019 5.943 4.219 24 HB2 LEU 4 HB2 LEU 4 9.279 4.121 3.451 25 HB3 LEU 4 HB3 LEU 4 9.279 5.015 4.970 26 HG LEU 4 HG LEU 4 6.904 3.824 5.203 27 HD11 LEU 4 HD11 LEU 4 6.834 1.656 4.276 28 HD12 LEU 4 HD12 LEU 4 8.501 1.761 3.710 29 HD13 LEU 4 HD13 LEU 4 7.248 2.738 2.946 30 HD21 LEU 4 HD21 LEU 4 9.582 2.571 5.799 31 HD22 LEU 4 HD22 LEU 4 8.048 2.074 6.514 32 HD23 LEU 4 HD23 LEU 4 8.687 3.688 6.830 33 H LEU 5 H LEU 5 7.398 7.618 1.996 34 HA LEU 5 HA LEU 5 10.039 8.748 2.076 35 HB2 LEU 5 HB2 LEU 5 7.708 8.973 0.442 36 HB3 LEU 5 HB3 LEU 5 8.206 10.584 0.951 37 HG LEU 5 HG LEU 5 9.132 9.925 -1.239 38 HD11 LEU 5 HD11 LEU 5 10.329 11.326 0.692 39 HD12 LEU 5 HD12 LEU 5 11.074 11.029 -0.878 40 HD13 LEU 5 HD13 LEU 5 11.515 10.033 0.508 41 HD21 LEU 5 HD21 LEU 5 10.258 8.022 -1.611 42 HD22 LEU 5 HD22 LEU 5 9.479 7.463 -0.130 43 HD23 LEU 5 HD23 LEU 5 11.119 8.112 -0.074 44 H LEU 6 H LEU 6 6.946 9.397 3.576 45 HA LEU 6 HA LEU 6 7.643 11.976 4.586 46 HB2 LEU 6 HB2 LEU 6 5.444 10.020 5.132 47 HB3 LEU 6 HB3 LEU 6 5.654 11.438 6.157 48 HG LEU 6 HG LEU 6 5.369 11.723 3.186 49 HD11 LEU 6 HD11 LEU 6 2.921 12.141 3.686 50 HD12 LEU 6 HD12 LEU 6 3.192 11.305 5.214 51 HD13 LEU 6 HD13 LEU 6 3.449 10.458 3.689 52 HD21 LEU 6 HD21 LEU 6 5.756 13.480 5.354 53 HD22 LEU 6 HD22 LEU 6 4.102 13.719 4.792 54 HD23 LEU 6 HD23 LEU 6 5.450 13.887 3.666 55 H ASN 7 H ASN 7 7.540 8.713 5.979 56 HA ASN 7 HA ASN 7 8.227 9.350 8.597 57 HB2 ASN 7 HB2 ASN 7 8.495 6.918 6.892 58 HB3 ASN 7 HB3 ASN 7 9.371 6.954 8.419 59 HD21 ASN 7 HD21 ASN 7 7.135 5.285 7.571 60 HD22 ASN 7 HD22 ASN 7 5.880 5.546 8.729 61 H GLY 8 H GLY 8 10.182 9.238 5.728 62 HA2 GLY 8 HA2 GLY 8 12.672 9.314 7.241 63 HA3 GLY 8 HA3 GLY 8 12.517 9.270 5.491 64 H PHE 9 H PHE 9 10.638 11.471 5.353 65 HA PHE 9 HA PHE 9 12.508 13.609 5.231 66 HB2 PHE 9 HB2 PHE 9 10.569 13.354 3.685 67 HB3 PHE 9 HB3 PHE 9 9.494 13.748 5.023 68 HD1 PHE 9 HD1 PHE 9 12.589 15.155 3.477 69 HD2 PHE 9 HD2 PHE 9 8.705 15.893 5.054 70 HE1 PHE 9 HE1 PHE 9 12.839 17.549 2.964 71 HE2 PHE 9 HE2 PHE 9 8.949 18.287 4.543 72 HZ PHE 9 HZ PHE 9 11.017 19.118 3.496 73 H ASP 10 H ASP 10 10.545 12.384 7.716 74 HA ASP 10 HA ASP 10 10.230 14.860 9.157 75 HB2 ASP 10 HB2 ASP 10 9.090 12.284 9.284 76 HB3 ASP 10 HB3 ASP 10 9.914 12.531 10.822 77 H ASP 11 H ASP 11 12.576 12.329 8.959 78 HA ASP 11 HA ASP 11 13.876 13.097 11.445 79 HB2 ASP 11 HB2 ASP 11 14.010 10.825 9.598 80 HB3 ASP 11 HB3 ASP 11 15.586 11.345 10.189 81 H VAL 12 H VAL 12 14.288 13.463 7.986 82 HA VAL 12 HA VAL 12 16.940 14.516 8.114 83 HB VAL 12 HB VAL 12 15.887 13.466 6.075 84 HG11 VAL 12 HG11 VAL 12 14.462 14.758 4.668 85 HG12 VAL 12 HG12 VAL 12 13.750 14.764 6.282 86 HG13 VAL 12 HG13 VAL 12 14.630 16.178 5.701 87 HG21 VAL 12 HG21 VAL 12 16.815 15.456 4.572 88 HG22 VAL 12 HG22 VAL 12 17.428 15.999 6.134 89 HG23 VAL 12 HG23 VAL 12 17.879 14.411 5.513 90 H HIS 13 H HIS 13 13.739 15.856 8.373 91 HA HIS 13 HA HIS 13 14.393 18.561 7.854 92 HB2 HIS 13 HB2 HIS 13 12.066 17.167 8.300 93 HB3 HIS 13 HB3 HIS 13 12.214 18.127 9.769 94 HD1 HIS 13 HD1 HIS 13 11.405 20.471 9.625 95 HD2 HIS 13 HD2 HIS 13 12.144 18.840 5.875 96 HE1 HIS 13 HE1 HIS 13 10.613 22.195 7.974 97 H PHE 14 H PHE 14 14.817 16.514 10.601 98 HA PHE 14 HA PHE 14 15.271 18.760 12.402 99 HB2 PHE 14 HB2 PHE 14 14.042 16.703 13.151 100 HB3 PHE 14 HB3 PHE 14 15.547 15.806 12.980 101 HD1 PHE 14 HD1 PHE 14 13.767 18.355 14.915 102 HD2 PHE 14 HD2 PHE 14 17.335 16.061 14.563 103 HE1 PHE 14 HE1 PHE 14 14.401 18.997 17.204 104 HE2 PHE 14 HE2 PHE 14 17.974 16.698 16.851 105 HZ PHE 14 HZ PHE 14 16.507 18.167 18.175 106 H LEU 15 H LEU 15 17.038 16.298 10.655 107 HA LEU 15 HA LEU 15 19.508 16.461 11.937 108 HB2 LEU 15 HB2 LEU 15 18.559 15.636 9.260 109 HB3 LEU 15 HB3 LEU 15 20.279 15.988 9.415 110 HG LEU 15 HG LEU 15 18.754 13.948 11.033 111 HD11 LEU 15 HD11 LEU 15 19.636 13.782 8.404 112 HD12 LEU 15 HD12 LEU 15 19.198 12.442 9.463 113 HD13 LEU 15 HD13 LEU 15 20.880 12.961 9.347 114 HD21 LEU 15 HD21 LEU 15 21.526 15.011 11.139 115 HD22 LEU 15 HD22 LEU 15 21.287 13.285 11.413 116 HD23 LEU 15 HD23 LEU 15 20.472 14.463 12.442 117 H GLY 16 H GLY 16 18.043 18.538 9.514 118 HA2 GLY 16 HA2 GLY 16 20.239 19.983 8.643 119 HA3 GLY 16 HA3 GLY 16 18.616 20.641 8.790 120 H SER 17 H SER 17 18.025 21.078 11.217 121 HA SER 17 HA SER 17 19.542 23.220 12.089 122 HB2 SER 17 HB2 SER 17 17.393 21.550 13.257 123 HB3 SER 17 HB3 SER 17 18.361 22.471 14.407 124 HG SER 17 HG SER 17 17.210 23.638 12.100 125 H ASN 18 H ASN 18 19.905 19.819 12.774 126 HA ASN 18 HA ASN 18 21.659 20.102 14.997 127 HB2 ASN 18 HB2 ASN 18 20.325 17.999 13.803 128 HB3 ASN 18 HB3 ASN 18 22.010 17.664 13.418 129 HD21 ASN 18 HD21 ASN 18 19.705 16.928 15.519 130 HD22 ASN 18 HD22 ASN 18 20.640 16.650 16.946 131 H VAL 19 H VAL 19 22.230 19.326 11.567 132 HA VAL 19 HA VAL 19 25.006 19.177 11.657 133 HB VAL 19 HB VAL 19 23.397 20.254 9.340 134 HG11 VAL 19 HG11 VAL 19 25.624 20.571 8.786 135 HG12 VAL 19 HG12 VAL 19 26.149 19.120 9.641 136 HG13 VAL 19 HG13 VAL 19 25.288 18.979 8.108 137 HG21 VAL 19 HG21 VAL 19 23.341 17.663 10.585 138 HG22 VAL 19 HG22 VAL 19 22.381 18.278 9.240 139 HG23 VAL 19 HG23 VAL 19 23.954 17.541 8.936 140 H MET 20 H MET 20 22.911 21.939 11.730 141 HA MET 20 HA MET 20 25.013 23.821 11.085 142 HB2 MET 20 HB2 MET 20 22.713 24.289 10.392 143 HB3 MET 20 HB3 MET 20 22.190 24.269 12.071 144 HG2 MET 20 HG2 MET 20 23.885 26.164 12.410 145 HG3 MET 20 HG3 MET 20 23.874 26.294 10.653 146 HE1 MET 20 HE1 MET 20 22.535 27.107 13.865 147 HE2 MET 20 HE2 MET 20 21.042 28.011 13.611 148 HE3 MET 20 HE3 MET 20 21.000 26.251 13.718 149 H GLU 21 H GLU 21 23.282 22.693 13.943 150 HA GLU 21 HA GLU 21 24.438 24.576 15.736 151 HB2 GLU 21 HB2 GLU 21 22.381 23.544 16.373 152 HB3 GLU 21 HB3 GLU 21 23.052 21.932 16.166 153 HG2 GLU 21 HG2 GLU 21 23.905 21.898 18.221 154 HG3 GLU 21 HG3 GLU 21 24.522 23.544 18.092 155 H GLU 22 H GLU 22 25.440 21.509 14.453 156 HA GLU 22 HA GLU 22 27.486 21.073 16.437 157 HB2 GLU 22 HB2 GLU 22 28.064 19.118 15.183 158 HB3 GLU 22 HB3 GLU 22 26.310 19.219 15.235 159 HG2 GLU 22 HG2 GLU 22 26.247 20.068 12.981 160 HG3 GLU 22 HG3 GLU 22 28.008 20.117 12.919 161 H GLN 23 H GLN 23 27.255 22.449 13.227 162 HA GLN 23 HA GLN 23 30.128 22.687 12.948 163 HB2 GLN 23 HB2 GLN 23 27.983 22.603 11.165 164 HB3 GLN 23 HB3 GLN 23 28.574 24.257 11.067 165 HG2 GLN 23 HG2 GLN 23 30.880 23.271 10.743 166 HG3 GLN 23 HG3 GLN 23 30.076 21.717 10.525 167 HE21 GLN 23 HE21 GLN 23 28.128 21.928 8.944 168 HE22 GLN 23 HE22 GLN 23 28.488 22.733 7.459 169 H ASP 24 H ASP 24 27.431 24.632 13.959 170 HA ASP 24 HA ASP 24 28.752 27.156 13.752 171 HB2 ASP 24 HB2 ASP 24 26.268 26.866 13.786 172 HB3 ASP 24 HB3 ASP 24 26.385 26.423 15.487 173 H LEU 25 H LEU 25 28.590 24.646 16.153 174 HA LEU 25 HA LEU 25 29.586 26.257 18.310 175 HB2 LEU 25 HB2 LEU 25 28.546 23.623 17.965 176 HB3 LEU 25 HB3 LEU 25 30.097 23.516 18.794 177 HG LEU 25 HG LEU 25 29.300 24.923 20.577 178 HD11 LEU 25 HD11 LEU 25 27.796 26.485 20.085 179 HD12 LEU 25 HD12 LEU 25 26.576 25.217 20.183 180 HD13 LEU 25 HD13 LEU 25 27.285 25.639 18.625 181 HD21 LEU 25 HD21 LEU 25 27.106 23.500 21.095 182 HD22 LEU 25 HD22 LEU 25 28.730 22.824 21.219 183 HD23 LEU 25 HD23 LEU 25 27.758 22.526 19.777 184 H ARG 26 H ARG 26 30.970 24.535 15.681 185 HA ARG 26 HA ARG 26 33.623 24.551 16.928 186 HB2 ARG 26 HB2 ARG 26 34.309 22.989 15.309 187 HB3 ARG 26 HB3 ARG 26 32.679 22.492 15.742 188 HG2 ARG 26 HG2 ARG 26 31.787 23.446 13.734 189 HG3 ARG 26 HG3 ARG 26 33.348 24.163 13.330 190 HD2 ARG 26 HD2 ARG 26 34.322 21.952 13.078 191 HD3 ARG 26 HD3 ARG 26 32.799 21.206 13.559 192 HE ARG 26 HE ARG 26 31.974 21.589 11.449 193 HH11 ARG 26 HH12 ARG 26 34.930 23.373 11.890 194 HH12 ARG 26 HH11 ARG 26 35.063 23.819 10.221 195 HH21 ARG 26 HH22 ARG 26 32.137 22.169 9.249 196 HH22 ARG 26 HH21 ARG 26 33.473 23.135 8.720 197 H ASP 27 H ASP 27 31.736 26.018 14.399 198 HA ASP 27 HA ASP 27 33.670 27.096 12.753 199 HB2 ASP 27 HB2 ASP 27 31.485 27.444 12.029 200 HB3 ASP 27 HB3 ASP 27 30.954 28.043 13.598 201 H ILE 28 H ILE 28 32.490 28.312 15.856 202 HA ILE 28 HA ILE 28 33.789 30.774 15.890 203 HB ILE 28 HB ILE 28 33.324 28.984 18.277 204 HG12 ILE 28 HG12 ILE 28 31.252 29.257 17.028 205 HG13 ILE 28 HG13 ILE 28 31.182 30.208 18.508 206 HG21 ILE 28 HG21 ILE 28 34.043 31.851 17.928 207 HG22 ILE 28 HG22 ILE 28 33.003 31.396 19.277 208 HG23 ILE 28 HG23 ILE 28 34.608 30.682 19.121 209 HD11 ILE 28 HD11 ILE 28 30.253 31.510 16.757 210 HD12 ILE 28 HD12 ILE 28 31.827 32.202 17.150 211 HD13 ILE 28 HD13 ILE 28 31.638 31.202 15.710 212 H GLY 29 H GLY 29 35.054 27.574 16.269 213 HA2 GLY 29 HA2 GLY 29 37.562 28.530 17.411 214 HA3 GLY 29 HA3 GLY 29 37.129 26.855 17.103 215 H ILE 30 H ILE 30 36.275 28.337 14.359 216 HA ILE 30 HA ILE 30 38.843 27.704 13.090 217 HB ILE 30 HB ILE 30 36.447 28.264 11.433 218 HG12 ILE 30 HG12 ILE 30 35.509 26.927 13.272 219 HG13 ILE 30 HG13 ILE 30 35.550 26.008 11.771 220 HG21 ILE 30 HG21 ILE 30 37.432 26.119 10.345 221 HG22 ILE 30 HG22 ILE 30 38.279 27.655 10.166 222 HG23 ILE 30 HG23 ILE 30 38.837 26.473 11.350 223 HD11 ILE 30 HD11 ILE 30 36.228 24.758 13.830 224 HD12 ILE 30 HD12 ILE 30 37.397 24.727 12.509 225 HD13 ILE 30 HD13 ILE 30 37.660 25.784 13.895 226 H SER 31 H SER 31 36.499 30.266 13.521 227 HA SER 31 HA SER 31 38.086 32.052 11.818 228 HB2 SER 31 HB2 SER 31 35.277 31.799 12.370 229 HB3 SER 31 HB3 SER 31 35.818 33.413 12.828 230 HG SER 31 HG SER 31 35.237 32.648 10.442 231 H ASP 32 H ASP 32 38.100 31.094 14.914 232 HA ASP 32 HA ASP 32 38.008 33.314 16.539 233 HB2 ASP 32 HB2 ASP 32 39.018 30.659 16.722 234 HB3 ASP 32 HB3 ASP 32 40.255 31.748 17.346 235 HA PRO 33 HA PRO 33 41.297 35.981 15.379 236 HB2 PRO 33 HB2 PRO 33 41.934 37.073 17.782 237 HB3 PRO 33 HB3 PRO 33 40.452 37.476 16.906 238 HG2 PRO 33 HG2 PRO 33 40.848 35.575 19.184 239 HG3 PRO 33 HG3 PRO 33 39.547 36.750 18.921 240 HD2 PRO 33 HD2 PRO 33 39.252 34.110 18.398 241 HD3 PRO 33 HD3 PRO 33 38.422 35.368 17.460 242 H GLN 34 H GLN 34 41.955 34.101 18.335 243 HA GLN 34 HA GLN 34 44.707 34.317 18.398 244 HB2 GLN 34 HB2 GLN 34 42.891 32.053 19.213 245 HB3 GLN 34 HB3 GLN 34 44.625 32.022 19.506 246 HG2 GLN 34 HG2 GLN 34 44.495 33.925 20.932 247 HG3 GLN 34 HG3 GLN 34 42.810 34.204 20.496 248 HE21 GLN 34 HE21 GLN 34 41.233 32.669 21.202 249 HE22 GLN 34 HE22 GLN 34 41.510 31.731 22.626 250 H HIS 35 H HIS 35 42.704 32.474 16.252 251 HA HIS 35 HA HIS 35 44.392 30.493 15.353 252 HB2 HIS 35 HB2 HIS 35 41.946 31.442 14.584 253 HB3 HIS 35 HB3 HIS 35 42.942 31.881 13.200 254 HD1 HIS 35 HD1 HIS 35 40.780 29.795 12.815 255 HD2 HIS 35 HD2 HIS 35 44.680 28.858 13.898 256 HE1 HIS 35 HE1 HIS 35 41.115 27.402 12.117 257 H ARG 36 H ARG 36 44.217 33.860 14.225 258 HA ARG 36 HA ARG 36 46.207 33.663 12.257 259 HB2 ARG 36 HB2 ARG 36 45.152 35.979 13.865 260 HB3 ARG 36 HB3 ARG 36 46.417 36.188 12.662 261 HG2 ARG 36 HG2 ARG 36 43.785 34.907 12.004 262 HG3 ARG 36 HG3 ARG 36 44.033 36.653 11.933 263 HD2 ARG 36 HD2 ARG 36 45.953 34.849 10.535 264 HD3 ARG 36 HD3 ARG 36 44.378 35.156 9.805 265 HE ARG 36 HE ARG 36 45.291 37.637 10.385 266 HH11 ARG 36 HH12 ARG 36 46.634 34.927 8.662 267 HH12 ARG 36 HH11 ARG 36 47.578 35.909 7.591 268 HH21 ARG 36 HH22 ARG 36 46.529 38.941 8.981 269 HH22 ARG 36 HH21 ARG 36 47.518 38.192 7.774 270 H ARG 37 H ARG 37 46.387 34.084 15.715 271 HA ARG 37 HA ARG 37 49.156 34.855 15.732 272 HB2 ARG 37 HB2 ARG 37 47.021 34.482 17.697 273 HB3 ARG 37 HB3 ARG 37 48.593 33.946 18.273 274 HG2 ARG 37 HG2 ARG 37 49.214 36.352 17.167 275 HG3 ARG 37 HG3 ARG 37 47.587 36.647 17.783 276 HD2 ARG 37 HD2 ARG 37 48.326 35.733 19.979 277 HD3 ARG 37 HD3 ARG 37 49.964 35.634 19.334 278 HE ARG 37 HE ARG 37 48.579 38.002 20.202 279 HH11 ARG 37 HH12 ARG 37 51.146 36.738 18.219 280 HH12 ARG 37 HH11 ARG 37 52.045 38.219 18.210 281 HH21 ARG 37 HH22 ARG 37 49.753 39.958 20.198 282 HH22 ARG 37 HH21 ARG 37 51.252 40.050 19.337 283 H LYS 38 H LYS 38 47.335 31.879 16.026 284 HA LYS 38 HA LYS 38 49.633 30.321 16.822 285 HB2 LYS 38 HB2 LYS 38 46.761 29.726 16.220 286 HB3 LYS 38 HB3 LYS 38 47.926 28.409 16.243 287 HG2 LYS 38 HG2 LYS 38 48.581 29.187 18.550 288 HG3 LYS 38 HG3 LYS 38 47.172 30.248 18.496 289 HD2 LYS 38 HD2 LYS 38 46.837 27.349 17.871 290 HD3 LYS 38 HD3 LYS 38 47.007 27.851 19.554 291 HE2 LYS 38 HE2 LYS 38 45.010 28.963 19.566 292 HE3 LYS 38 HE3 LYS 38 45.079 29.330 17.843 293 HZ1 LYS 38 HZ1 LYS 38 43.356 27.720 18.310 294 HZ2 LYS 38 HZ2 LYS 38 44.474 26.677 19.033 295 HZ3 LYS 38 HZ3 LYS 38 44.572 27.005 17.377 296 H LEU 39 H LEU 39 48.142 31.316 13.883 297 HA LEU 39 HA LEU 39 49.430 29.241 12.302 298 HB2 LEU 39 HB2 LEU 39 47.101 30.566 11.977 299 HB3 LEU 39 HB3 LEU 39 48.161 31.539 10.958 300 HG LEU 39 HG LEU 39 46.964 29.843 9.668 301 HD11 LEU 39 HD11 LEU 39 48.811 29.035 8.427 302 HD12 LEU 39 HD12 LEU 39 49.875 29.103 9.831 303 HD13 LEU 39 HD13 LEU 39 49.297 30.596 9.091 304 HD21 LEU 39 HD21 LEU 39 46.817 28.198 11.555 305 HD22 LEU 39 HD22 LEU 39 48.503 27.787 11.242 306 HD23 LEU 39 HD23 LEU 39 47.282 27.508 10.000 307 H LEU 40 H LEU 40 49.995 32.475 13.331 308 HA LEU 40 HA LEU 40 51.866 33.120 11.235 309 HB2 LEU 40 HB2 LEU 40 50.503 34.825 12.408 310 HB3 LEU 40 HB3 LEU 40 51.408 34.489 13.882 311 HG LEU 40 HG LEU 40 53.431 35.099 12.198 312 HD11 LEU 40 HD11 LEU 40 51.396 37.137 11.431 313 HD12 LEU 40 HD12 LEU 40 51.510 35.638 10.510 314 HD13 LEU 40 HD13 LEU 40 52.910 36.702 10.639 315 HD21 LEU 40 HD21 LEU 40 52.702 37.569 13.174 316 HD22 LEU 40 HD22 LEU 40 53.659 36.357 14.026 317 HD23 LEU 40 HD23 LEU 40 51.916 36.446 14.283 318 H GLN 41 H GLN 41 51.980 31.797 14.466 319 HA GLN 41 HA GLN 41 54.837 32.057 14.717 320 HB2 GLN 41 HB2 GLN 41 53.138 32.011 16.630 321 HB3 GLN 41 HB3 GLN 41 53.064 30.273 16.375 322 HG2 GLN 41 HG2 GLN 41 54.991 29.926 17.429 323 HG3 GLN 41 HG3 GLN 41 55.786 31.265 16.603 324 HE21 GLN 41 HE21 GLN 41 54.972 33.473 17.378 325 HE22 GLN 41 HE22 GLN 41 54.849 33.667 19.090 326 H ALA 42 H ALA 42 52.616 29.735 13.449 327 HA ALA 42 HA ALA 42 54.609 27.608 13.413 328 HB1 ALA 42 HB1 ALA 42 52.474 26.801 13.948 329 HB2 ALA 42 HB2 ALA 42 51.704 27.730 12.662 330 HB3 ALA 42 HB3 ALA 42 52.717 26.343 12.262 331 H ALA 43 H ALA 43 53.064 29.892 11.259 332 HA ALA 43 HA ALA 43 54.031 28.683 8.845 333 HB1 ALA 43 HB1 ALA 43 52.804 31.367 9.435 334 HB2 ALA 43 HB2 ALA 43 53.309 30.869 7.820 335 HB3 ALA 43 HB3 ALA 43 52.049 29.970 8.666 336 H ARG 44 H ARG 44 55.321 30.839 11.197 337 HA ARG 44 HA ARG 44 57.216 32.185 9.581 338 HB2 ARG 44 HB2 ARG 44 56.378 32.456 12.149 339 HB3 ARG 44 HB3 ARG 44 57.937 31.681 12.399 340 HG2 ARG 44 HG2 ARG 44 59.032 33.447 11.129 341 HG3 ARG 44 HG3 ARG 44 57.470 34.218 10.846 342 HD2 ARG 44 HD2 ARG 44 58.055 35.416 12.670 343 HD3 ARG 44 HD3 ARG 44 57.398 34.019 13.521 344 HE ARG 44 HE ARG 44 60.182 33.736 12.934 345 HH11 ARG 44 HH12 ARG 44 57.891 35.149 15.143 346 HH12 ARG 44 HH11 ARG 44 59.003 35.195 16.471 347 HH21 ARG 44 HH22 ARG 44 61.655 33.793 14.675 348 HH22 ARG 44 HH21 ARG 44 61.144 34.425 16.203 349 HN1 NH2 45 HN1 NH2 45 57.262 29.133 11.361 350 HN2 NH2 45 HN2 NH2 45 58.805 28.592 10.790
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